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 3kox_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 0.017 0.000 0.813 5 L CB 0.000 42.069 42.059 0.017 0.000 0.961 6 Q N 0.549 120.361 119.800 0.021 0.000 2.530 6 Q HA 0.306 4.650 4.340 0.006 0.000 0.198 6 Q C 0.509 176.525 176.000 0.027 0.000 0.956 6 Q CA -0.011 55.804 55.803 0.021 0.000 0.870 6 Q CB 0.433 29.183 28.738 0.019 0.000 1.050 6 Q HN 0.404 nan 8.270 nan 0.000 0.604 7 L N 3.854 125.098 121.223 0.036 0.000 2.628 7 L HA -0.036 4.308 4.340 0.006 0.000 0.274 7 L C -0.001 176.905 176.870 0.061 0.000 1.209 7 L CA 0.522 55.393 54.840 0.052 0.000 0.930 7 L CB 0.157 42.261 42.059 0.074 0.000 1.183 7 L HN 0.136 nan 8.230 nan 0.000 0.492 8 R N 3.429 123.962 120.500 0.055 0.000 2.387 8 R HA 0.180 4.524 4.340 0.006 0.000 0.314 8 R C 0.890 177.229 176.300 0.066 0.000 0.958 8 R CA -0.454 55.680 56.100 0.056 0.000 0.846 8 R CB 1.735 32.055 30.300 0.033 0.000 1.147 8 R HN 0.590 nan 8.270 nan 0.000 0.447 9 V N 0.222 120.197 119.914 0.102 0.000 2.490 9 V HA -0.217 3.907 4.120 0.006 0.000 0.250 9 V C 1.357 177.439 176.094 -0.019 0.000 1.061 9 V CA 1.892 64.259 62.300 0.110 0.000 1.064 9 V CB -0.584 31.383 31.823 0.239 0.000 0.670 9 V HN 0.799 nan 8.190 nan 0.000 0.461 10 N N 0.059 118.756 118.700 -0.005 0.000 2.268 10 N HA 0.085 4.829 4.740 0.006 0.000 0.204 10 N C 0.089 175.581 175.510 -0.030 0.000 1.124 10 N CA 0.009 53.040 53.050 -0.031 0.000 0.838 10 N CB 0.234 38.714 38.487 -0.012 0.000 0.994 10 N HN 0.738 nan 8.380 nan 0.000 0.489 11 E N 0.909 121.096 120.200 -0.023 0.000 2.210 11 E HA 0.259 4.612 4.350 0.006 0.000 0.266 11 E C -0.714 175.867 176.600 -0.030 0.000 0.883 11 E CA -0.763 55.625 56.400 -0.020 0.000 0.761 11 E CB 2.063 31.761 29.700 -0.004 0.000 1.156 11 E HN 0.079 nan 8.360 nan 0.000 0.412 12 K N 2.189 122.567 120.400 -0.036 0.000 2.550 12 K HA -0.021 4.303 4.320 0.006 0.000 0.280 12 K C 0.128 176.713 176.600 -0.024 0.000 0.987 12 K CA 0.156 56.420 56.287 -0.039 0.000 1.048 12 K CB 0.376 32.855 32.500 -0.034 0.000 0.879 12 K HN 0.454 nan 8.250 nan 0.000 0.491 13 L N 2.784 123.991 121.223 -0.026 0.000 2.640 13 L HA -0.126 4.218 4.340 0.006 0.000 0.280 13 L C 0.758 177.618 176.870 -0.017 0.000 1.229 13 L CA 0.316 55.147 54.840 -0.014 0.000 0.919 13 L CB 0.017 42.067 42.059 -0.016 0.000 1.168 13 L HN 0.585 nan 8.230 nan 0.000 0.496 14 D N 3.512 123.906 120.400 -0.010 0.000 2.468 14 D HA 0.086 4.730 4.640 0.006 0.000 0.218 14 D C 0.987 177.279 176.300 -0.012 0.000 1.155 14 D CA -0.309 53.685 54.000 -0.010 0.000 0.924 14 D CB 1.211 42.008 40.800 -0.004 0.000 1.029 14 D HN 0.346 nan 8.370 nan 0.000 0.515 15 V N 1.964 121.865 119.914 -0.022 0.000 2.427 15 V HA -0.147 3.977 4.120 0.006 0.000 0.248 15 V C 1.933 178.017 176.094 -0.016 0.000 1.051 15 V CA 1.605 63.890 62.300 -0.026 0.000 1.048 15 V CB -0.546 31.241 31.823 -0.059 0.000 0.666 15 V HN 0.473 nan 8.190 nan 0.000 0.456 16 E N 1.105 121.295 120.200 -0.018 0.000 2.065 16 E HA -0.358 3.996 4.350 0.006 0.000 0.201 16 E C 2.145 178.747 176.600 0.004 0.000 1.016 16 E CA 2.205 58.601 56.400 -0.006 0.000 0.818 16 E CB -0.258 29.438 29.700 -0.007 0.000 0.749 16 E HN 0.782 nan 8.360 nan 0.000 0.453 17 N N -0.477 118.224 118.700 0.002 0.000 2.188 17 N HA -0.131 4.612 4.740 0.006 0.000 0.184 17 N C 1.640 177.153 175.510 0.004 0.000 1.018 17 N CA 0.812 53.865 53.050 0.005 0.000 0.858 17 N CB -0.013 38.477 38.487 0.004 0.000 0.989 17 N HN 0.082 nan 8.380 nan 0.000 0.426 18 I N 0.814 121.383 120.570 -0.001 0.000 2.264 18 I HA -0.210 3.964 4.170 0.006 0.000 0.248 18 I C 1.762 177.878 176.117 -0.002 0.000 1.111 18 I CA 0.960 62.253 61.300 -0.012 0.000 1.382 18 I CB -0.439 37.552 38.000 -0.016 0.000 1.060 18 I HN 0.288 nan 8.210 nan 0.000 0.418 19 L N -0.323 120.915 121.223 0.026 0.000 2.362 19 L HA -0.124 4.220 4.340 0.006 0.000 0.219 19 L C 0.861 177.758 176.870 0.044 0.000 1.134 19 L CA 0.744 55.617 54.840 0.055 0.000 0.807 19 L CB -0.451 41.650 42.059 0.070 0.000 0.927 19 L HN 0.157 nan 8.230 nan 0.000 0.447 20 K N 0.092 120.508 120.400 0.025 0.000 2.143 20 K HA 0.194 4.518 4.320 0.006 0.000 0.272 20 K C -0.241 176.366 176.600 0.012 0.000 1.001 20 K CA -0.596 55.706 56.287 0.024 0.000 0.915 20 K CB 1.117 33.629 32.500 0.020 0.000 1.047 20 K HN -0.135 nan 8.250 nan 0.000 0.458 21 D N 1.080 121.484 120.400 0.006 0.000 3.041 21 D HA -0.179 4.465 4.640 0.006 0.000 0.220 21 D C 0.519 176.790 176.300 -0.049 0.000 1.157 21 D CA 0.632 54.623 54.000 -0.015 0.000 0.876 21 D CB -1.394 39.407 40.800 0.001 0.000 1.107 21 D HN 0.513 nan 8.370 nan 0.000 0.422 22 L N 0.377 121.552 121.223 -0.080 0.000 2.275 22 L HA -0.152 4.192 4.340 0.006 0.000 0.215 22 L C 2.271 178.864 176.870 -0.461 0.000 1.119 22 L CA 1.523 56.270 54.840 -0.155 0.000 0.790 22 L CB -0.276 41.731 42.059 -0.085 0.000 0.919 22 L HN 0.194 nan 8.230 nan 0.000 0.443 23 D N 0.403 120.429 120.400 -0.624 0.000 2.158 23 D HA -0.249 4.395 4.640 0.006 0.000 0.197 23 D C 1.494 177.614 176.300 -0.300 0.000 0.995 23 D CA 1.387 54.971 54.000 -0.695 0.000 0.846 23 D CB -0.363 40.257 40.800 -0.301 0.000 0.941 23 D HN 0.276 nan 8.370 nan 0.000 0.456 24 K N -0.618 119.690 120.400 -0.154 0.000 2.444 24 K HA -0.027 4.297 4.320 0.006 0.000 0.193 24 K C 0.368 176.940 176.600 -0.047 0.000 1.024 24 K CA -0.396 55.846 56.287 -0.075 0.000 1.077 24 K CB -0.181 32.294 32.500 -0.041 0.000 0.833 24 K HN 0.323 nan 8.250 nan 0.000 0.517 25 Y N 2.546 122.763 120.300 -0.138 0.000 2.425 25 Y HA 0.010 4.564 4.550 0.007 0.000 0.331 25 Y C -0.183 175.679 175.900 -0.063 0.000 1.157 25 Y CA 0.360 58.404 58.100 -0.092 0.000 1.372 25 Y CB 0.705 39.110 38.460 -0.092 0.000 1.253 25 Y HN -0.121 nan 8.280 nan 0.000 0.536 26 T N 7.577 121.466 114.554 -1.109 0.000 2.900 26 T HA 0.409 4.763 4.350 0.006 0.000 0.295 26 T C -2.891 171.130 174.700 -1.131 0.000 1.044 26 T CA -1.809 59.794 62.100 -0.828 0.000 0.995 26 T CB 1.710 70.354 68.868 -0.374 0.000 1.072 26 T HN 0.377 nan 8.240 nan 0.000 0.473 27 P HA 0.237 nan 4.420 nan 0.000 0.275 27 P C 0.807 178.011 177.300 -0.160 0.000 1.227 27 P CA -0.604 62.365 63.100 -0.218 0.000 0.781 27 P CB 0.925 32.623 31.700 -0.004 0.000 0.906 28 K N 3.015 123.372 120.400 -0.073 0.000 2.032 28 K HA -0.120 4.204 4.320 0.006 0.000 0.209 28 K C 0.404 176.979 176.600 -0.043 0.000 1.048 28 K CA 1.408 57.666 56.287 -0.049 0.000 0.927 28 K CB 0.186 32.679 32.500 -0.012 0.000 0.712 28 K HN 0.432 nan 8.250 nan 0.000 0.441 29 R N -0.798 119.685 120.500 -0.029 0.000 2.950 29 R HA 0.450 4.794 4.340 0.006 0.000 0.253 29 R C -0.555 175.727 176.300 -0.029 0.000 1.168 29 R CA -0.993 55.084 56.100 -0.038 0.000 1.014 29 R CB 1.540 31.810 30.300 -0.049 0.000 1.228 29 R HN -0.014 nan 8.270 nan 0.000 0.487 30 R N -0.269 120.203 120.500 -0.045 0.000 2.707 30 R HA 0.567 4.911 4.340 0.006 0.000 0.272 30 R C -0.542 175.724 176.300 -0.056 0.000 1.011 30 R CA -0.485 55.590 56.100 -0.043 0.000 0.893 30 R CB 2.138 32.388 30.300 -0.083 0.000 1.233 30 R HN 0.891 nan 8.270 nan 0.000 0.464 31 G N 1.086 109.868 108.800 -0.030 0.000 2.746 31 G HA2 -0.222 3.742 3.960 0.006 0.000 0.685 31 G HA3 -0.222 3.742 3.960 0.006 0.000 0.685 31 G C -1.198 173.707 174.900 0.007 0.000 1.350 31 G CA -0.459 44.636 45.100 -0.008 0.000 0.837 31 G HN 0.585 nan 8.290 nan 0.000 0.564 32 W N 1.950 123.130 121.300 -0.200 0.000 2.315 32 W HA 0.588 5.251 4.660 0.006 0.000 0.316 32 W C 0.536 176.830 176.519 -0.375 0.000 1.211 32 W CA 0.255 57.401 57.345 -0.331 0.000 1.201 32 W CB 1.513 30.698 29.460 -0.458 0.000 1.184 32 W HN 1.076 nan 8.180 nan 0.000 0.544 33 T N 2.697 116.643 114.554 -1.014 0.000 2.770 33 T HA 0.337 4.691 4.350 0.006 0.000 0.283 33 T C -0.505 173.644 174.700 -0.919 0.000 0.988 33 T CA -0.515 61.153 62.100 -0.721 0.000 0.957 33 T CB 0.641 69.227 68.868 -0.471 0.000 0.930 33 T HN 0.426 nan 8.240 nan 0.000 0.443 34 W N 1.895 123.129 121.300 -0.110 0.000 2.030 34 W HA 0.502 5.166 4.660 0.007 0.000 0.360 34 W C 1.113 177.602 176.519 -0.051 0.000 1.370 34 W CA -1.304 56.059 57.345 0.031 0.000 1.433 34 W CB 0.677 30.218 29.460 0.135 0.000 1.204 34 W HN 0.448 nan 8.180 nan 0.000 0.649 35 R N 1.231 121.901 120.500 0.284 0.000 2.457 35 R HA 0.212 4.556 4.340 0.006 0.000 0.284 35 R C -0.361 176.007 176.300 0.112 0.000 1.024 35 R CA -0.875 55.297 56.100 0.120 0.000 1.025 35 R CB 0.726 31.081 30.300 0.091 0.000 1.063 35 R HN 0.248 nan 8.270 nan 0.000 0.493 36 Q N 2.332 122.166 119.800 0.056 0.000 2.278 36 Q HA 0.318 4.662 4.340 0.006 0.000 0.257 36 Q C -2.341 173.674 176.000 0.025 0.000 0.928 36 Q CA -2.538 53.290 55.803 0.042 0.000 0.932 36 Q CB 1.080 29.832 28.738 0.023 0.000 1.221 36 Q HN 0.276 nan 8.270 nan 0.000 0.434 37 P HA 0.061 nan 4.420 nan 0.000 0.268 37 P C -0.955 176.353 177.300 0.012 0.000 1.204 37 P CA 0.164 63.274 63.100 0.016 0.000 0.768 37 P CB 0.585 32.292 31.700 0.012 0.000 0.842 38 A N 2.837 125.665 122.820 0.012 0.000 2.654 38 A HA 0.261 4.585 4.320 0.006 0.000 0.345 38 A C 0.113 177.715 177.584 0.029 0.000 1.368 38 A CA -0.451 51.594 52.037 0.013 0.000 0.895 38 A CB -0.392 18.609 19.000 0.002 0.000 1.143 38 A HN 0.474 nan 8.150 nan 0.000 0.490 39 E N 2.213 122.430 120.200 0.027 0.000 2.360 39 E HA 0.147 4.500 4.350 0.006 0.000 0.269 39 E C -0.100 176.526 176.600 0.044 0.000 1.022 39 E CA -0.131 56.289 56.400 0.033 0.000 0.887 39 E CB 0.212 29.924 29.700 0.021 0.000 0.990 39 E HN 0.622 nan 8.360 nan 0.000 0.426 40 N N 2.435 121.169 118.700 0.056 0.000 2.699 40 N HA -0.245 4.499 4.740 0.006 0.000 0.256 40 N C -1.012 174.546 175.510 0.079 0.000 0.993 40 N CA 0.544 53.632 53.050 0.062 0.000 0.759 40 N CB -0.960 37.549 38.487 0.038 0.000 0.906 40 N HN 0.313 nan 8.380 nan 0.000 0.541 41 L N 0.709 122.002 121.223 0.116 0.000 2.290 41 L HA 0.223 4.567 4.340 0.006 0.000 0.284 41 L C 0.726 177.710 176.870 0.190 0.000 1.078 41 L CA -0.173 54.739 54.840 0.120 0.000 0.815 41 L CB 1.028 43.145 42.059 0.097 0.000 1.162 41 L HN 0.225 nan 8.230 nan 0.000 0.435 42 Q N 4.915 124.797 119.800 0.138 0.000 2.288 42 Q HA 0.466 4.810 4.340 0.006 0.000 0.258 42 Q C -1.193 174.915 176.000 0.180 0.000 0.957 42 Q CA 0.196 56.095 55.803 0.160 0.000 0.919 42 Q CB 0.819 29.609 28.738 0.086 0.000 1.185 42 Q HN 0.745 nan 8.270 nan 0.000 0.408 43 M N 4.003 123.783 119.600 0.300 0.000 2.197 43 M HA 0.407 4.891 4.480 0.006 0.000 0.301 43 M C 0.453 176.898 176.300 0.242 0.000 0.987 43 M CA -0.034 55.404 55.300 0.230 0.000 0.921 43 M CB 1.790 34.489 32.600 0.166 0.000 1.569 43 M HN 1.009 nan 8.290 nan 0.000 0.431 44 G N 4.619 113.495 108.800 0.126 0.000 2.651 44 G HA2 -0.258 3.706 3.960 0.006 0.000 0.315 44 G HA3 -0.258 3.706 3.960 0.006 0.000 0.315 44 G C -2.164 172.711 174.900 -0.042 0.000 1.258 44 G CA 0.004 45.142 45.100 0.062 0.000 1.002 44 G HN 0.539 nan 8.290 nan 0.000 0.551 45 P HA 0.381 nan 4.420 nan 0.000 0.257 45 P C -0.226 176.779 177.300 -0.493 0.000 1.281 45 P CA 0.373 63.199 63.100 -0.457 0.000 0.826 45 P CB 0.069 31.328 31.700 -0.735 0.000 1.237 46 F N -0.199 119.755 119.950 0.008 0.000 2.532 46 F HA 0.415 4.946 4.527 0.006 0.000 0.321 46 F C 0.584 176.293 175.800 -0.153 0.000 1.089 46 F CA -1.759 56.150 58.000 -0.152 0.000 0.926 46 F CB 1.219 40.018 39.000 -0.336 0.000 1.168 46 F HN -0.337 nan 8.300 nan 0.000 0.459 47 I N 3.150 123.706 120.570 -0.022 0.000 2.353 47 I HA 0.252 4.426 4.170 0.006 0.000 0.293 47 I C -1.081 174.853 176.117 -0.305 0.000 0.992 47 I CA -0.743 60.528 61.300 -0.048 0.000 1.268 47 I CB 1.137 39.134 38.000 -0.005 0.000 1.387 47 I HN 0.477 nan 8.210 nan 0.000 0.478 48 Y N 5.516 125.839 120.300 0.039 0.000 2.360 48 Y HA 0.312 4.866 4.550 0.007 0.000 0.337 48 Y C 0.996 176.898 175.900 0.003 0.000 1.039 48 Y CA -0.715 57.389 58.100 0.007 0.000 1.109 48 Y CB 1.474 39.937 38.460 0.004 0.000 1.201 48 Y HN 0.385 nan 8.280 nan 0.000 0.458 49 K N 0.577 121.043 120.400 0.110 0.000 2.308 49 K HA 0.094 4.418 4.320 0.006 0.000 0.197 49 K C -0.439 176.202 176.600 0.068 0.000 1.049 49 K CA 0.648 56.973 56.287 0.063 0.000 0.991 49 K CB 0.412 32.925 32.500 0.022 0.000 0.836 49 K HN 0.660 nan 8.250 nan 0.000 0.500 50 D N 0.828 121.282 120.400 0.090 0.000 2.891 50 D HA 0.230 4.873 4.640 0.006 0.000 0.312 50 D C -0.447 175.890 176.300 0.061 0.000 1.354 50 D CA -0.053 53.984 54.000 0.061 0.000 0.838 50 D CB 0.612 41.441 40.800 0.047 0.000 1.117 50 D HN 0.011 nan 8.370 nan 0.000 0.473 51 A N 0.440 123.299 122.820 0.065 0.000 2.269 51 A HA 0.757 5.081 4.320 0.006 0.000 0.319 51 A C 0.587 178.172 177.584 0.001 0.000 1.110 51 A CA -0.407 51.633 52.037 0.005 0.000 0.847 51 A CB 1.041 20.018 19.000 -0.037 0.000 1.161 51 A HN 0.155 nan 8.150 nan 0.000 0.497 52 S N -0.639 115.047 115.700 -0.022 0.000 2.759 52 S HA 0.653 5.126 4.470 0.006 0.000 0.310 52 S C -0.076 174.504 174.600 -0.033 0.000 1.123 52 S CA -0.497 57.695 58.200 -0.013 0.000 0.959 52 S CB 0.665 63.865 63.200 0.000 0.000 1.172 52 S HN 0.716 nan 8.310 nan 0.000 0.539 53 T N 3.805 118.343 114.554 -0.027 0.000 2.908 53 T HA 0.278 4.631 4.350 0.006 0.000 0.301 53 T C -2.243 172.422 174.700 -0.058 0.000 1.019 53 T CA -0.148 61.929 62.100 -0.038 0.000 1.152 53 T CB -0.365 68.482 68.868 -0.036 0.000 0.966 53 T HN 0.479 nan 8.240 nan 0.000 0.540 54 P HA 0.242 nan 4.420 nan 0.000 0.273 54 P C -0.129 177.114 177.300 -0.094 0.000 1.250 54 P CA -0.559 62.490 63.100 -0.085 0.000 0.793 54 P CB 0.521 32.173 31.700 -0.080 0.000 1.011 55 L N 0.786 121.939 121.223 -0.116 0.000 2.421 55 L HA 0.208 4.551 4.340 0.006 0.000 0.263 55 L C 1.669 178.442 176.870 -0.162 0.000 1.122 55 L CA -0.171 54.577 54.840 -0.153 0.000 0.804 55 L CB 0.457 42.398 42.059 -0.197 0.000 1.150 55 L HN 0.455 nan 8.230 nan 0.000 0.457 56 E N 0.376 120.462 120.200 -0.189 0.000 2.122 56 E HA 0.032 4.386 4.350 0.006 0.000 0.190 56 E C -0.217 176.233 176.600 -0.250 0.000 0.977 56 E CA 0.672 56.966 56.400 -0.177 0.000 0.820 56 E CB 0.326 29.936 29.700 -0.150 0.000 0.770 56 E HN 0.478 nan 8.360 nan 0.000 0.462 57 N N 0.106 118.550 118.700 -0.426 0.000 2.260 57 N HA 0.259 5.003 4.740 0.006 0.000 0.293 57 N C -1.290 173.674 175.510 -0.911 0.000 1.058 57 N CA -0.153 52.481 53.050 -0.693 0.000 0.824 57 N CB 2.225 40.136 38.487 -0.960 0.000 1.551 57 N HN -0.016 nan 8.380 nan 0.000 0.475 58 S N -0.884 114.460 115.700 -0.592 0.000 2.611 58 S HA 0.420 4.893 4.470 0.006 0.000 0.268 58 S C -1.278 173.412 174.600 0.150 0.000 1.156 58 S CA -0.775 57.289 58.200 -0.227 0.000 0.817 58 S CB 1.246 64.339 63.200 -0.178 0.000 1.122 58 S HN 0.112 nan 8.310 nan 0.000 0.466 59 V N 1.620 121.598 119.914 0.107 0.000 2.383 59 V HA 0.738 4.862 4.120 0.006 0.000 0.275 59 V C 0.815 176.823 176.094 -0.143 0.000 1.036 59 V CA 0.034 62.298 62.300 -0.060 0.000 0.889 59 V CB 0.676 32.286 31.823 -0.354 0.000 0.985 59 V HN 1.217 nan 8.190 nan 0.000 0.459 60 A N 5.507 128.300 122.820 -0.046 0.000 2.246 60 A HA 0.750 5.074 4.320 0.006 0.000 0.291 60 A C -0.055 177.536 177.584 0.011 0.000 1.103 60 A CA -0.633 51.395 52.037 -0.015 0.000 0.844 60 A CB 0.340 19.352 19.000 0.020 0.000 1.136 60 A HN 0.785 nan 8.150 nan 0.000 0.500 61 L N 0.508 121.763 121.223 0.053 0.000 2.483 61 L HA 0.115 4.458 4.340 0.006 0.000 0.275 61 L C -1.234 175.687 176.870 0.085 0.000 1.220 61 L CA -1.207 53.687 54.840 0.089 0.000 0.833 61 L CB 0.288 42.414 42.059 0.112 0.000 1.102 61 L HN 0.554 nan 8.230 nan 0.000 0.490 62 P HA -0.140 nan 4.420 nan 0.000 0.215 62 P C 1.163 178.483 177.300 0.033 0.000 1.157 62 P CA 1.194 64.328 63.100 0.057 0.000 0.874 62 P CB 0.193 31.937 31.700 0.074 0.000 0.790 63 S N -0.875 114.898 115.700 0.121 0.000 2.660 63 S HA 0.098 4.572 4.470 0.006 0.000 0.228 63 S C 1.775 176.525 174.600 0.250 0.000 0.966 63 S CA 0.612 58.934 58.200 0.204 0.000 0.940 63 S CB -0.741 62.681 63.200 0.371 0.000 0.773 63 S HN 0.150 nan 8.310 nan 0.000 0.535 64 A N 2.676 125.606 122.820 0.182 0.000 2.067 64 A HA -0.137 4.186 4.320 0.006 0.000 0.219 64 A C 2.078 179.730 177.584 0.113 0.000 1.158 64 A CA 1.220 53.407 52.037 0.249 0.000 0.661 64 A CB -0.425 18.670 19.000 0.158 0.000 0.801 64 A HN 0.679 nan 8.150 nan 0.000 0.452 65 K N -1.268 119.060 120.400 -0.119 0.000 2.152 65 K HA -0.202 4.122 4.320 0.006 0.000 0.206 65 K C 1.330 177.771 176.600 -0.265 0.000 1.048 65 K CA 1.756 57.903 56.287 -0.234 0.000 0.933 65 K CB -0.629 31.655 32.500 -0.360 0.000 0.721 65 K HN 0.475 nan 8.250 nan 0.000 0.447 66 Y N 0.117 120.316 120.300 -0.168 0.000 2.509 66 Y HA 0.052 4.606 4.550 0.007 0.000 0.293 66 Y C 0.722 176.275 175.900 -0.578 0.000 1.133 66 Y CA 0.250 58.100 58.100 -0.416 0.000 1.283 66 Y CB -0.095 37.986 38.460 -0.631 0.000 1.001 66 Y HN -0.023 nan 8.280 nan 0.000 0.555 67 F N -0.623 119.453 119.950 0.210 0.000 2.850 67 F HA 0.506 5.037 4.527 0.006 0.000 0.306 67 F C 1.299 177.158 175.800 0.099 0.000 1.162 67 F CA -0.654 57.449 58.000 0.172 0.000 1.327 67 F CB 0.312 39.475 39.000 0.272 0.000 0.953 67 F HN 0.000 nan 8.300 nan 0.000 0.507 68 G N 0.543 109.429 108.800 0.143 0.000 2.272 68 G HA2 -0.300 3.664 3.960 0.006 0.000 0.280 68 G HA3 -0.300 3.664 3.960 0.006 0.000 0.280 68 G C 0.215 175.172 174.900 0.095 0.000 1.067 68 G CA 0.160 45.316 45.100 0.093 0.000 0.902 68 G HN 0.449 nan 8.290 nan 0.000 0.500 69 D N -1.437 119.019 120.400 0.093 0.000 2.737 69 D HA -0.234 4.410 4.640 0.006 0.000 0.233 69 D C 1.201 177.550 176.300 0.081 0.000 1.155 69 D CA 1.693 55.738 54.000 0.075 0.000 0.667 69 D CB -1.272 39.549 40.800 0.036 0.000 1.060 69 D HN 1.302 nan 8.370 nan 0.000 0.427 70 I N -2.531 118.113 120.570 0.124 0.000 2.720 70 I HA 0.342 4.516 4.170 0.006 0.000 0.287 70 I C 0.590 176.736 176.117 0.049 0.000 1.090 70 I CA -0.069 61.284 61.300 0.088 0.000 1.384 70 I CB 0.827 38.906 38.000 0.131 0.000 1.420 70 I HN -0.284 nan 8.210 nan 0.000 0.575 71 D N 5.485 125.876 120.400 -0.014 0.000 2.552 71 D HA 0.386 5.029 4.640 0.006 0.000 0.285 71 D C -2.632 173.605 176.300 -0.105 0.000 1.206 71 D CA -1.656 52.318 54.000 -0.045 0.000 0.826 71 D CB 0.793 41.564 40.800 -0.047 0.000 1.179 71 D HN 0.378 nan 8.370 nan 0.000 0.508 72 P HA 0.165 nan 4.420 nan 0.000 0.276 72 P C -0.515 176.668 177.300 -0.195 0.000 1.230 72 P CA -0.323 62.597 63.100 -0.300 0.000 0.776 72 P CB 1.050 32.366 31.700 -0.641 0.000 0.888 73 Q N 3.757 123.462 119.800 -0.158 0.000 2.274 73 Q HA 0.445 4.789 4.340 0.006 0.000 0.260 73 Q C -2.177 173.783 176.000 -0.066 0.000 0.974 73 Q CA -1.853 53.899 55.803 -0.085 0.000 0.876 73 Q CB 1.842 30.540 28.738 -0.067 0.000 1.297 73 Q HN 0.398 nan 8.270 nan 0.000 0.446 74 P HA 0.254 nan 4.420 nan 0.000 0.284 74 P C 0.603 177.915 177.300 0.019 0.000 1.292 74 P CA -0.508 62.592 63.100 0.000 0.000 0.800 74 P CB 1.218 32.928 31.700 0.018 0.000 1.188 75 L N -1.214 120.028 121.223 0.031 0.000 2.056 75 L HA 0.040 4.384 4.340 0.006 0.000 0.207 75 L C -1.151 175.767 176.870 0.080 0.000 1.078 75 L CA 0.943 55.810 54.840 0.045 0.000 0.749 75 L CB -1.930 40.148 42.059 0.031 0.000 0.901 75 L HN 0.321 nan 8.230 nan 0.000 0.433 76 P HA 0.097 nan 4.420 nan 0.000 0.278 76 P C -0.405 176.993 177.300 0.164 0.000 1.238 76 P CA -0.173 63.012 63.100 0.142 0.000 0.794 76 P CB 1.052 32.820 31.700 0.113 0.000 0.955 77 V N 4.213 124.279 119.914 0.253 0.000 2.557 77 V HA -0.050 4.074 4.120 0.006 0.000 0.301 77 V C 0.624 176.832 176.094 0.190 0.000 1.026 77 V CA 0.777 63.201 62.300 0.206 0.000 1.137 77 V CB -0.505 31.489 31.823 0.285 0.000 0.917 77 V HN 0.343 nan 8.190 nan 0.000 0.484 78 I N 5.025 125.678 120.570 0.137 0.000 2.339 78 I HA 0.333 4.507 4.170 0.006 0.000 0.290 78 I C 0.513 176.708 176.117 0.131 0.000 0.994 78 I CA -0.027 61.345 61.300 0.120 0.000 1.191 78 I CB 1.508 39.556 38.000 0.081 0.000 1.343 78 I HN 0.570 nan 8.210 nan 0.000 0.458 79 T N 4.054 118.672 114.554 0.108 0.000 2.922 79 T HA 0.458 4.812 4.350 0.006 0.000 0.285 79 T C 0.264 174.947 174.700 -0.029 0.000 1.005 79 T CA -0.430 61.674 62.100 0.007 0.000 1.061 79 T CB 1.952 70.733 68.868 -0.144 0.000 1.007 79 T HN 0.637 nan 8.240 nan 0.000 0.502 80 T N 1.313 115.835 114.554 -0.054 0.000 2.912 80 T HA 0.351 4.705 4.350 0.006 0.000 0.299 80 T C -1.316 173.351 174.700 -0.056 0.000 1.052 80 T CA -0.757 61.324 62.100 -0.032 0.000 0.996 80 T CB 1.157 70.039 68.868 0.022 0.000 1.070 80 T HN 0.603 nan 8.240 nan 0.000 0.465 81 E N 3.735 123.913 120.200 -0.037 0.000 2.081 81 E HA 0.431 4.785 4.350 0.006 0.000 0.281 81 E C -0.534 176.088 176.600 0.037 0.000 0.986 81 E CA -0.292 56.096 56.400 -0.020 0.000 0.796 81 E CB 0.974 30.661 29.700 -0.022 0.000 1.085 81 E HN 0.483 nan 8.360 nan 0.000 0.398 82 I N 2.515 123.123 120.570 0.062 0.000 2.411 82 I HA 0.521 4.694 4.170 0.006 0.000 0.284 82 I C -0.519 175.677 176.117 0.132 0.000 1.012 82 I CA -0.700 60.667 61.300 0.111 0.000 1.119 82 I CB 1.551 39.630 38.000 0.131 0.000 1.261 82 I HN 0.483 nan 8.210 nan 0.000 0.448 83 A N 3.556 126.459 122.820 0.138 0.000 2.664 83 A HA 0.357 4.681 4.320 0.006 0.000 0.300 83 A C 0.280 177.966 177.584 0.170 0.000 1.210 83 A CA -0.402 51.728 52.037 0.155 0.000 0.863 83 A CB 0.545 19.616 19.000 0.117 0.000 1.464 83 A HN 0.699 nan 8.150 nan 0.000 0.438 84 S N 0.445 116.288 115.700 0.238 0.000 2.575 84 S HA 0.423 4.897 4.470 0.006 0.000 0.215 84 S C 1.500 176.367 174.600 0.445 0.000 0.966 84 S CA 0.934 59.318 58.200 0.306 0.000 0.911 84 S CB 0.123 63.576 63.200 0.422 0.000 0.780 84 S HN 2.513 nan 8.310 nan 0.000 0.514 85 G N 1.499 110.495 108.800 0.328 0.000 2.225 85 G HA2 -0.271 3.693 3.960 0.006 0.000 0.254 85 G HA3 -0.271 3.693 3.960 0.006 0.000 0.254 85 G C 0.178 175.188 174.900 0.183 0.000 0.988 85 G CA 0.026 45.303 45.100 0.294 0.000 0.625 85 G HN 0.585 nan 8.290 nan 0.000 0.527 86 R N 0.184 120.774 120.500 0.150 0.000 2.415 86 R HA 0.438 4.782 4.340 0.006 0.000 0.292 86 R C 1.322 177.604 176.300 -0.031 0.000 1.295 86 R CA -0.337 55.699 56.100 -0.107 0.000 1.137 86 R CB 0.018 29.999 30.300 -0.533 0.000 1.135 86 R HN 0.364 nan 8.270 nan 0.000 0.560 87 F N 1.927 121.899 119.950 0.037 0.000 2.307 87 F HA -0.190 4.342 4.527 0.008 0.000 0.301 87 F C 1.841 177.666 175.800 0.042 0.000 1.076 87 F CA 1.190 59.230 58.000 0.067 0.000 1.383 87 F CB 0.060 39.104 39.000 0.072 0.000 1.055 87 F HN 0.366 nan 8.300 nan 0.000 0.526 88 E N 0.543 120.185 120.200 -0.930 0.000 2.299 88 E HA -0.149 4.205 4.350 0.006 0.000 0.193 88 E C 0.990 177.423 176.600 -0.280 0.000 0.998 88 E CA 1.147 57.113 56.400 -0.724 0.000 0.851 88 E CB -0.710 28.474 29.700 -0.860 0.000 0.795 88 E HN 0.528 nan 8.360 nan 0.000 0.492 89 D N 1.680 121.971 120.400 -0.181 0.000 2.137 89 D HA -0.092 4.551 4.640 0.006 0.000 0.202 89 D C 1.207 177.545 176.300 0.062 0.000 0.970 89 D CA 0.922 54.913 54.000 -0.015 0.000 0.837 89 D CB -0.024 40.835 40.800 0.098 0.000 0.981 89 D HN 0.146 nan 8.370 nan 0.000 0.475 90 D N 1.195 121.658 120.400 0.105 0.000 2.182 90 D HA -0.115 4.529 4.640 0.006 0.000 0.201 90 D C 2.200 178.564 176.300 0.106 0.000 0.986 90 D CA 0.286 54.380 54.000 0.155 0.000 0.847 90 D CB -0.332 40.591 40.800 0.206 0.000 0.942 90 D HN 0.286 nan 8.370 nan 0.000 0.467 91 I N 0.748 121.364 120.570 0.078 0.000 2.194 91 I HA -0.305 3.868 4.170 0.006 0.000 0.246 91 I C 2.457 178.585 176.117 0.018 0.000 1.093 91 I CA 1.240 62.575 61.300 0.059 0.000 1.355 91 I CB -0.055 37.969 38.000 0.041 0.000 1.046 91 I HN -0.032 nan 8.210 nan 0.000 0.413 92 R N -0.106 120.381 120.500 -0.021 0.000 2.075 92 R HA -0.141 4.203 4.340 0.006 0.000 0.232 92 R C 2.434 178.665 176.300 -0.115 0.000 1.126 92 R CA 1.050 57.103 56.100 -0.077 0.000 0.963 92 R CB -0.407 29.823 30.300 -0.117 0.000 0.858 92 R HN 0.311 nan 8.270 nan 0.000 0.435 93 R N 0.808 121.237 120.500 -0.119 0.000 2.120 93 R HA -0.074 4.270 4.340 0.006 0.000 0.234 93 R C 2.181 178.484 176.300 0.003 0.000 1.123 93 R CA 1.313 57.346 56.100 -0.111 0.000 0.975 93 R CB -0.047 30.271 30.300 0.029 0.000 0.866 93 R HN 0.204 nan 8.270 nan 0.000 0.446 94 M N -0.536 119.092 119.600 0.047 0.000 2.117 94 M HA -0.183 4.301 4.480 0.006 0.000 0.262 94 M C 2.403 178.761 176.300 0.096 0.000 1.065 94 M CA 1.603 56.953 55.300 0.084 0.000 1.114 94 M CB -0.336 32.324 32.600 0.100 0.000 1.361 94 M HN 0.104 nan 8.290 nan 0.000 0.408 95 R N 0.660 121.204 120.500 0.074 0.000 2.115 95 R HA -0.200 4.144 4.340 0.006 0.000 0.239 95 R C 2.132 178.530 176.300 0.163 0.000 1.133 95 R CA 2.225 58.397 56.100 0.120 0.000 0.935 95 R CB -0.285 30.034 30.300 0.032 0.000 0.853 95 R HN 0.351 nan 8.270 nan 0.000 0.433 96 M N -0.431 119.195 119.600 0.043 0.000 2.082 96 M HA -0.201 4.282 4.480 0.006 0.000 0.258 96 M C 2.481 178.910 176.300 0.216 0.000 1.069 96 M CA 2.089 57.428 55.300 0.065 0.000 1.102 96 M CB -0.373 32.195 32.600 -0.054 0.000 1.336 96 M HN 0.309 nan 8.290 nan 0.000 0.404 97 A N 0.223 123.129 122.820 0.144 0.000 1.969 97 A HA 0.059 4.383 4.320 0.006 0.000 0.218 97 A C 2.406 180.120 177.584 0.218 0.000 1.169 97 A CA 1.635 53.765 52.037 0.154 0.000 0.635 97 A CB -0.860 18.199 19.000 0.099 0.000 0.810 97 A HN 0.495 nan 8.150 nan 0.000 0.445 98 A N -0.891 122.061 122.820 0.220 0.000 1.851 98 A HA -0.193 4.131 4.320 0.006 0.000 0.216 98 A C 1.889 179.608 177.584 0.224 0.000 1.195 98 A CA 1.602 53.754 52.037 0.193 0.000 0.622 98 A CB -1.090 18.032 19.000 0.203 0.000 0.831 98 A HN 0.703 nan 8.150 nan 0.000 0.444 99 W N -0.255 121.085 121.300 0.066 0.000 2.364 99 W HA -0.117 4.548 4.660 0.008 0.000 0.281 99 W C 2.004 178.503 176.519 -0.034 0.000 1.219 99 W CA 1.460 58.818 57.345 0.021 0.000 1.220 99 W CB -0.452 29.022 29.460 0.023 0.000 1.127 99 W HN 0.521 nan 8.180 nan 0.000 0.556 100 H N -1.225 117.973 119.070 0.213 0.000 2.526 100 H HA 0.238 4.798 4.556 0.006 0.000 0.274 100 H C 1.768 177.143 175.328 0.079 0.000 0.999 100 H CA 0.879 57.005 56.048 0.130 0.000 1.157 100 H CB 0.099 29.928 29.762 0.112 0.000 1.407 100 H HN 0.242 nan 8.280 nan 0.000 0.568 101 G N 0.628 109.506 108.800 0.130 0.000 2.179 101 G HA2 -0.241 3.722 3.960 0.006 0.000 0.220 101 G HA3 -0.241 3.722 3.960 0.006 0.000 0.220 101 G C 0.493 175.434 174.900 0.067 0.000 0.990 101 G CA -0.046 45.091 45.100 0.063 0.000 0.646 101 G HN 0.559 nan 8.290 nan 0.000 0.517 102 A N 1.316 124.193 122.820 0.096 0.000 2.491 102 A HA 0.495 4.819 4.320 0.006 0.000 0.261 102 A C 1.017 178.635 177.584 0.055 0.000 1.101 102 A CA 0.990 53.075 52.037 0.081 0.000 0.772 102 A CB 0.158 19.212 19.000 0.090 0.000 1.043 102 A HN 0.797 nan 8.150 nan 0.000 0.501 103 D N 1.536 121.962 120.400 0.044 0.000 2.538 103 D HA 0.086 4.730 4.640 0.006 0.000 0.231 103 D C -0.028 176.273 176.300 0.001 0.000 1.229 103 D CA 0.125 54.117 54.000 -0.012 0.000 0.828 103 D CB -0.428 40.327 40.800 -0.074 0.000 1.035 103 D HN 0.718 nan 8.370 nan 0.000 0.495 104 H N 0.155 119.198 119.070 -0.045 0.000 3.149 104 H HA 0.298 4.858 4.556 0.007 0.000 0.334 104 H C -1.377 173.963 175.328 0.020 0.000 1.000 104 H CA -0.705 55.329 56.048 -0.023 0.000 1.415 104 H CB 1.227 31.011 29.762 0.036 0.000 1.819 104 H HN -0.130 nan 8.280 nan 0.000 0.486 105 I N 6.245 126.892 120.570 0.127 0.000 2.390 105 I HA 0.184 4.358 4.170 0.006 0.000 0.283 105 I C -0.116 175.964 176.117 -0.061 0.000 1.016 105 I CA -0.383 60.945 61.300 0.047 0.000 1.151 105 I CB 1.224 39.329 38.000 0.175 0.000 1.293 105 I HN 0.616 nan 8.210 nan 0.000 0.458 106 M N 6.949 126.437 119.600 -0.188 0.000 2.157 106 M HA 0.434 4.917 4.480 0.006 0.000 0.354 106 M C -1.168 175.103 176.300 -0.048 0.000 1.170 106 M CA -0.372 54.805 55.300 -0.205 0.000 1.060 106 M CB 1.236 33.617 32.600 -0.366 0.000 1.615 106 M HN 0.279 nan 8.290 nan 0.000 0.460 107 V N 7.372 127.278 119.914 -0.014 0.000 2.304 107 V HA 0.354 4.478 4.120 0.006 0.000 0.278 107 V C 0.111 176.307 176.094 0.170 0.000 1.018 107 V CA -0.651 61.682 62.300 0.056 0.000 0.814 107 V CB 0.679 32.503 31.823 0.000 0.000 1.021 107 V HN 0.792 nan 8.190 nan 0.000 0.440 108 I N 4.455 125.113 120.570 0.146 0.000 2.692 108 I HA 0.255 4.429 4.170 0.006 0.000 0.284 108 I C 0.936 177.045 176.117 -0.014 0.000 1.159 108 I CA -0.117 61.206 61.300 0.039 0.000 1.423 108 I CB 0.450 38.410 38.000 -0.066 0.000 1.380 108 I HN 0.487 nan 8.210 nan 0.000 0.580 109 R N 2.830 123.246 120.500 -0.140 0.000 2.531 109 R HA 0.237 4.581 4.340 0.006 0.000 0.273 109 R C 0.169 176.421 176.300 -0.080 0.000 1.070 109 R CA -0.576 55.477 56.100 -0.077 0.000 1.112 109 R CB 0.792 31.016 30.300 -0.127 0.000 1.049 109 R HN 0.570 nan 8.270 nan 0.000 0.508 110 T N 0.993 115.532 114.554 -0.025 0.000 2.908 110 T HA 0.043 4.396 4.350 0.006 0.000 0.325 110 T C 0.226 174.889 174.700 -0.061 0.000 1.092 110 T CA -0.215 61.886 62.100 0.001 0.000 1.125 110 T CB 0.321 69.228 68.868 0.065 0.000 1.016 110 T HN 0.616 nan 8.240 nan 0.000 0.550 111 A N 2.802 125.613 122.820 -0.015 0.000 2.520 111 A HA 0.489 4.813 4.320 0.006 0.000 0.245 111 A C 1.656 179.224 177.584 -0.027 0.000 1.072 111 A CA 0.289 52.313 52.037 -0.022 0.000 0.761 111 A CB -0.893 18.118 19.000 0.019 0.000 1.004 111 A HN 2.027 nan 8.150 nan 0.000 0.499 112 G N 1.534 110.307 108.800 -0.046 0.000 2.168 112 G HA2 -0.381 3.582 3.960 0.006 0.000 0.257 112 G HA3 -0.381 3.582 3.960 0.006 0.000 0.257 112 G C 0.899 175.677 174.900 -0.203 0.000 0.997 112 G CA 1.043 46.133 45.100 -0.017 0.000 0.708 112 G HN 1.118 nan 8.290 nan 0.000 0.520 113 Q N 0.271 119.813 119.800 -0.430 0.000 2.217 113 Q HA -0.126 4.218 4.340 0.006 0.000 0.209 113 Q C 2.604 178.305 176.000 -0.498 0.000 0.988 113 Q CA 2.115 57.393 55.803 -0.875 0.000 0.878 113 Q CB -0.394 27.968 28.738 -0.627 0.000 0.909 113 Q HN 0.543 nan 8.270 nan 0.000 0.424 114 S N -0.437 115.089 115.700 -0.289 0.000 2.444 114 S HA -0.194 4.280 4.470 0.006 0.000 0.244 114 S C 1.195 175.649 174.600 -0.243 0.000 1.025 114 S CA 1.201 59.261 58.200 -0.234 0.000 0.995 114 S CB -0.324 62.713 63.200 -0.270 0.000 0.781 114 S HN 0.543 nan 8.310 nan 0.000 0.496 115 H N -1.180 117.886 119.070 -0.008 0.000 2.563 115 H HA 0.163 4.722 4.556 0.006 0.000 0.264 115 H C -0.334 175.120 175.328 0.209 0.000 0.957 115 H CA -0.012 56.089 56.048 0.088 0.000 1.173 115 H CB -0.005 29.814 29.762 0.095 0.000 1.420 115 H HN 0.307 nan 8.280 nan 0.000 0.551 116 Y N 1.766 122.124 120.300 0.097 0.000 2.605 116 Y HA -0.021 4.533 4.550 0.006 0.000 0.336 116 Y C 0.958 176.884 175.900 0.044 0.000 1.111 116 Y CA -0.739 57.398 58.100 0.061 0.000 1.422 116 Y CB -0.072 38.411 38.460 0.039 0.000 1.193 116 Y HN 0.021 nan 8.280 nan 0.000 0.526 117 D N 2.397 122.902 120.400 0.175 0.000 2.934 117 D HA 0.387 5.031 4.640 0.006 0.000 0.237 117 D C 0.471 176.822 176.300 0.085 0.000 1.158 117 D CA 0.634 54.700 54.000 0.110 0.000 0.971 117 D CB -0.498 40.353 40.800 0.086 0.000 1.123 117 D HN 0.816 nan 8.370 nan 0.000 0.467 118 G N -0.216 108.642 108.800 0.096 0.000 2.359 118 G HA2 0.044 4.007 3.960 0.006 0.000 0.314 118 G HA3 0.044 4.007 3.960 0.006 0.000 0.314 118 G C -1.055 173.897 174.900 0.087 0.000 1.364 118 G CA -1.028 44.112 45.100 0.067 0.000 0.978 118 G HN 0.185 nan 8.290 nan 0.000 0.615 119 L N 0.469 121.726 121.223 0.057 0.000 2.436 119 L HA 0.608 4.952 4.340 0.006 0.000 0.265 119 L C 1.074 177.985 176.870 0.068 0.000 1.168 119 L CA -0.595 54.285 54.840 0.065 0.000 0.815 119 L CB 0.767 42.848 42.059 0.036 0.000 1.109 119 L HN 0.669 nan 8.230 nan 0.000 0.462 120 I N -1.981 118.647 120.570 0.097 0.000 2.947 120 I HA 0.606 4.780 4.170 0.006 0.000 0.314 120 I C -0.514 175.619 176.117 0.026 0.000 1.028 120 I CA -0.842 60.486 61.300 0.047 0.000 1.077 120 I CB 1.728 39.768 38.000 0.065 0.000 1.274 120 I HN 0.430 nan 8.210 nan 0.000 0.485 121 E N 1.408 121.601 120.200 -0.012 0.000 2.359 121 E HA 0.721 5.075 4.350 0.006 0.000 0.266 121 E C -0.072 176.504 176.600 -0.041 0.000 0.920 121 E CA -0.304 56.067 56.400 -0.047 0.000 0.788 121 E CB 1.807 31.455 29.700 -0.086 0.000 1.279 121 E HN 1.127 nan 8.360 nan 0.000 0.438 122 G N 0.343 109.102 108.800 -0.068 0.000 2.627 122 G HA2 -0.193 3.771 3.960 0.006 0.000 0.214 122 G HA3 -0.193 3.771 3.960 0.006 0.000 0.214 122 G C -0.289 174.610 174.900 -0.002 0.000 1.331 122 G CA -0.165 44.912 45.100 -0.038 0.000 0.891 122 G HN 0.757 nan 8.290 nan 0.000 0.539 123 T N -0.860 113.725 114.554 0.051 0.000 3.532 123 T HA 0.651 5.004 4.350 0.006 0.000 0.241 123 T C -2.081 172.693 174.700 0.124 0.000 1.238 123 T CA -0.468 61.711 62.100 0.132 0.000 1.405 123 T CB 1.637 70.679 68.868 0.289 0.000 0.971 123 T HN 0.636 nan 8.240 nan 0.000 0.640 124 P HA 0.191 nan 4.420 nan 0.000 0.274 124 P C -0.198 177.155 177.300 0.089 0.000 1.246 124 P CA -0.379 62.764 63.100 0.072 0.000 0.795 124 P CB 0.821 32.558 31.700 0.062 0.000 1.006 125 Q N 0.199 120.030 119.800 0.052 0.000 2.352 125 Q HA 0.408 4.752 4.340 0.006 0.000 0.260 125 Q C 0.434 176.491 176.000 0.095 0.000 0.976 125 Q CA -0.122 55.705 55.803 0.040 0.000 0.881 125 Q CB 0.206 28.937 28.738 -0.011 0.000 1.235 125 Q HN 0.628 nan 8.270 nan 0.000 0.419 126 G N 2.825 111.701 108.800 0.126 0.000 2.535 126 G HA2 0.518 4.482 3.960 0.006 0.000 0.303 126 G HA3 0.518 4.482 3.960 0.006 0.000 0.303 126 G C -1.154 173.840 174.900 0.157 0.000 1.237 126 G CA -0.621 44.566 45.100 0.146 0.000 0.986 126 G HN 0.702 nan 8.290 nan 0.000 0.494 127 I N -0.230 120.421 120.570 0.134 0.000 2.512 127 I HA 0.469 4.643 4.170 0.006 0.000 0.287 127 I C 0.813 176.984 176.117 0.090 0.000 1.069 127 I CA 0.431 61.807 61.300 0.126 0.000 1.056 127 I CB 1.289 39.352 38.000 0.106 0.000 1.229 127 I HN 1.107 nan 8.210 nan 0.000 0.429 128 G N 4.533 113.385 108.800 0.087 0.000 2.153 128 G HA2 -0.088 3.876 3.960 0.006 0.000 0.252 128 G HA3 -0.088 3.876 3.960 0.006 0.000 0.252 128 G C 0.323 175.246 174.900 0.038 0.000 0.994 128 G CA 0.288 45.416 45.100 0.047 0.000 0.698 128 G HN 1.549 nan 8.290 nan 0.000 0.521 129 G N -2.857 105.989 108.800 0.077 0.000 2.324 129 G HA2 0.550 4.513 3.960 0.006 0.000 0.293 129 G HA3 0.550 4.513 3.960 0.006 0.000 0.293 129 G C -1.446 173.524 174.900 0.117 0.000 1.297 129 G CA 0.163 45.304 45.100 0.069 0.000 0.853 129 G HN 1.221 nan 8.290 nan 0.000 0.535 130 V N 1.648 121.632 119.914 0.115 0.000 2.487 130 V HA 0.563 4.686 4.120 0.006 0.000 0.298 130 V C -2.244 173.926 176.094 0.127 0.000 1.028 130 V CA -1.502 60.892 62.300 0.157 0.000 0.860 130 V CB 2.299 34.237 31.823 0.191 0.000 0.991 130 V HN 0.553 nan 8.190 nan 0.000 0.427 131 P HA 0.237 nan 4.420 nan 0.000 0.276 131 P C -0.516 176.854 177.300 0.117 0.000 1.264 131 P CA -0.207 62.973 63.100 0.134 0.000 0.769 131 P CB 0.253 32.055 31.700 0.170 0.000 0.840 132 I N 4.369 125.012 120.570 0.122 0.000 2.363 132 I HA 0.159 4.333 4.170 0.006 0.000 0.292 132 I C 1.043 177.245 176.117 0.142 0.000 1.075 132 I CA 0.594 61.985 61.300 0.152 0.000 1.333 132 I CB -0.220 37.917 38.000 0.228 0.000 1.415 132 I HN 0.368 nan 8.210 nan 0.000 0.502 133 T N 2.884 117.495 114.554 0.095 0.000 2.906 133 T HA 0.415 4.769 4.350 0.006 0.000 0.295 133 T C 1.054 175.799 174.700 0.074 0.000 1.075 133 T CA -0.851 61.290 62.100 0.068 0.000 1.005 133 T CB 2.254 71.127 68.868 0.009 0.000 1.136 133 T HN 0.571 nan 8.240 nan 0.000 0.498 134 R N 0.561 121.111 120.500 0.083 0.000 2.133 134 R HA -0.184 4.159 4.340 0.006 0.000 0.247 134 R C 2.229 178.604 176.300 0.125 0.000 1.151 134 R CA 2.217 58.394 56.100 0.127 0.000 0.971 134 R CB -0.277 30.101 30.300 0.131 0.000 0.866 134 R HN 0.790 nan 8.270 nan 0.000 0.447 135 K N -0.040 120.381 120.400 0.034 0.000 2.007 135 K HA -0.195 4.129 4.320 0.006 0.000 0.206 135 K C 2.254 178.777 176.600 -0.129 0.000 1.047 135 K CA 1.522 57.844 56.287 0.060 0.000 0.937 135 K CB -0.182 32.307 32.500 -0.018 0.000 0.718 135 K HN 0.072 nan 8.250 nan 0.000 0.438 136 Q N 0.978 120.584 119.800 -0.322 0.000 2.096 136 Q HA -0.151 4.193 4.340 0.006 0.000 0.204 136 Q C 1.946 177.747 176.000 -0.333 0.000 0.982 136 Q CA 1.958 57.346 55.803 -0.691 0.000 0.850 136 Q CB -0.280 28.090 28.738 -0.612 0.000 0.901 136 Q HN 0.286 nan 8.270 nan 0.000 0.422 137 V N 1.139 121.000 119.914 -0.089 0.000 2.427 137 V HA -0.197 3.926 4.120 0.006 0.000 0.248 137 V C 2.629 178.651 176.094 -0.120 0.000 1.051 137 V CA 1.916 64.222 62.300 0.010 0.000 1.048 137 V CB -0.532 31.397 31.823 0.176 0.000 0.666 137 V HN 0.315 nan 8.190 nan 0.000 0.456 138 R N -0.175 120.276 120.500 -0.081 0.000 2.073 138 R HA -0.042 4.302 4.340 0.006 0.000 0.229 138 R C 2.489 178.559 176.300 -0.383 0.000 1.120 138 R CA 1.290 57.285 56.100 -0.176 0.000 0.967 138 R CB -0.555 29.739 30.300 -0.010 0.000 0.862 138 R HN 0.515 nan 8.270 nan 0.000 0.436 139 A N 1.216 123.897 122.820 -0.232 0.000 1.892 139 A HA -0.266 4.058 4.320 0.006 0.000 0.218 139 A C 2.041 179.524 177.584 -0.168 0.000 1.188 139 A CA 1.523 53.477 52.037 -0.138 0.000 0.631 139 A CB -0.441 18.589 19.000 0.049 0.000 0.822 139 A HN 0.355 nan 8.150 nan 0.000 0.447 140 Q N -1.844 117.829 119.800 -0.213 0.000 2.033 140 Q HA -0.105 4.239 4.340 0.006 0.000 0.196 140 Q C 2.392 178.118 176.000 -0.456 0.000 0.970 140 Q CA 1.180 56.829 55.803 -0.257 0.000 0.828 140 Q CB -0.211 28.379 28.738 -0.247 0.000 0.895 140 Q HN 0.508 nan 8.270 nan 0.000 0.440 141 R N 1.867 121.988 120.500 -0.631 0.000 2.139 141 R HA -0.158 4.186 4.340 0.006 0.000 0.243 141 R C 1.900 178.032 176.300 -0.280 0.000 1.145 141 R CA 1.694 57.509 56.100 -0.475 0.000 0.976 141 R CB -0.176 29.947 30.300 -0.295 0.000 0.866 141 R HN 0.105 nan 8.270 nan 0.000 0.449 142 K N -0.898 119.229 120.400 -0.455 0.000 2.076 142 K HA 0.003 4.327 4.320 0.006 0.000 0.204 142 K C 1.876 178.371 176.600 -0.176 0.000 1.051 142 K CA 1.117 57.144 56.287 -0.433 0.000 0.949 142 K CB -0.218 31.799 32.500 -0.806 0.000 0.726 142 K HN 0.185 nan 8.250 nan 0.000 0.443 143 A N 1.603 124.325 122.820 -0.164 0.000 1.917 143 A HA -0.167 4.157 4.320 0.006 0.000 0.219 143 A C 2.115 179.670 177.584 -0.048 0.000 1.182 143 A CA 1.448 53.441 52.037 -0.074 0.000 0.633 143 A CB -0.699 18.274 19.000 -0.046 0.000 0.819 143 A HN 0.356 nan 8.150 nan 0.000 0.448 144 L N -0.771 120.403 121.223 -0.081 0.000 2.156 144 L HA -0.143 4.201 4.340 0.006 0.000 0.208 144 L C 1.892 178.749 176.870 -0.022 0.000 1.095 144 L CA 1.042 55.856 54.840 -0.043 0.000 0.770 144 L CB -0.532 41.485 42.059 -0.070 0.000 0.914 144 L HN 0.308 nan 8.230 nan 0.000 0.439 145 D N 0.160 120.549 120.400 -0.018 0.000 2.144 145 D HA -0.168 4.476 4.640 0.006 0.000 0.199 145 D C 2.329 178.638 176.300 0.014 0.000 0.984 145 D CA 1.191 55.200 54.000 0.014 0.000 0.834 145 D CB -0.058 40.785 40.800 0.072 0.000 0.955 145 D HN 0.265 nan 8.370 nan 0.000 0.465 146 L N 0.070 121.301 121.223 0.014 0.000 2.044 146 L HA -0.059 4.285 4.340 0.006 0.000 0.205 146 L C 2.438 179.328 176.870 0.033 0.000 1.075 146 L CA 0.640 55.494 54.840 0.024 0.000 0.747 146 L CB -0.226 41.848 42.059 0.024 0.000 0.903 146 L HN -0.013 nan 8.230 nan 0.000 0.435 147 I N 0.102 120.696 120.570 0.040 0.000 2.394 147 I HA -0.267 3.906 4.170 0.006 0.000 0.251 147 I C 2.630 178.763 176.117 0.027 0.000 1.136 147 I CA 1.416 62.758 61.300 0.070 0.000 1.425 147 I CB -0.274 37.777 38.000 0.085 0.000 1.079 147 I HN 0.389 nan 8.210 nan 0.000 0.425 148 E N 1.237 121.436 120.200 -0.002 0.000 2.112 148 E HA -0.215 4.139 4.350 0.006 0.000 0.190 148 E C 1.792 178.361 176.600 -0.051 0.000 0.979 148 E CA 0.913 57.292 56.400 -0.036 0.000 0.814 148 E CB -0.313 29.361 29.700 -0.043 0.000 0.762 148 E HN 0.482 nan 8.360 nan 0.000 0.460 149 E N 1.192 121.373 120.200 -0.031 0.000 2.085 149 E HA -0.249 4.105 4.350 0.006 0.000 0.194 149 E C 2.061 178.634 176.600 -0.045 0.000 0.994 149 E CA 1.602 57.983 56.400 -0.033 0.000 0.801 149 E CB -0.049 29.644 29.700 -0.011 0.000 0.743 149 E HN 0.436 nan 8.360 nan 0.000 0.453 150 E N 0.388 120.573 120.200 -0.025 0.000 2.031 150 E HA -0.181 4.173 4.350 0.006 0.000 0.193 150 E C 2.177 178.670 176.600 -0.178 0.000 0.994 150 E CA 1.796 58.177 56.400 -0.032 0.000 0.800 150 E CB 0.091 29.845 29.700 0.090 0.000 0.752 150 E HN 0.250 nan 8.360 nan 0.000 0.447 151 V N -2.532 117.235 119.914 -0.244 0.000 3.041 151 V HA 0.246 4.370 4.120 0.006 0.000 0.260 151 V C 1.371 177.304 176.094 -0.267 0.000 1.105 151 V CA 1.008 63.059 62.300 -0.415 0.000 1.125 151 V CB -0.252 31.313 31.823 -0.429 0.000 0.730 151 V HN 0.440 nan 8.190 nan 0.000 0.479 152 G N 0.278 108.976 108.800 -0.170 0.000 2.142 152 G HA2 -0.220 3.744 3.960 0.006 0.000 0.225 152 G HA3 -0.220 3.744 3.960 0.006 0.000 0.225 152 G C 0.067 174.900 174.900 -0.111 0.000 1.015 152 G CA 0.288 45.312 45.100 -0.127 0.000 0.716 152 G HN 0.951 nan 8.290 nan 0.000 0.508 153 R N 0.048 120.482 120.500 -0.110 0.000 2.604 153 R HA 0.498 4.842 4.340 0.006 0.000 0.270 153 R C -2.954 173.284 176.300 -0.104 0.000 1.052 153 R CA -1.593 54.447 56.100 -0.102 0.000 0.902 153 R CB 2.446 32.684 30.300 -0.104 0.000 1.233 153 R HN 0.043 nan 8.270 nan 0.000 0.455 154 P HA 0.158 nan 4.420 nan 0.000 0.268 154 P C -0.441 176.761 177.300 -0.163 0.000 1.204 154 P CA 0.077 63.097 63.100 -0.133 0.000 0.768 154 P CB 0.782 32.387 31.700 -0.158 0.000 0.842 155 I N 3.120 123.610 120.570 -0.134 0.000 2.354 155 I HA 0.216 4.390 4.170 0.006 0.000 0.292 155 I C 0.606 176.636 176.117 -0.144 0.000 0.989 155 I CA -0.752 60.474 61.300 -0.122 0.000 1.188 155 I CB 0.951 38.930 38.000 -0.035 0.000 1.342 155 I HN 0.158 nan 8.210 nan 0.000 0.457 156 N N 5.731 124.279 118.700 -0.253 0.000 2.420 156 N HA 0.085 4.829 4.740 0.006 0.000 0.262 156 N C -0.896 174.690 175.510 0.126 0.000 1.144 156 N CA -0.092 52.805 53.050 -0.254 0.000 0.952 156 N CB 0.932 38.904 38.487 -0.858 0.000 1.081 156 N HN 0.421 nan 8.380 nan 0.000 0.480 157 Y N 2.040 122.354 120.300 0.022 0.000 2.323 157 Y HA 0.279 4.832 4.550 0.006 0.000 0.331 157 Y C -0.403 175.575 175.900 0.129 0.000 1.092 157 Y CA -0.522 57.619 58.100 0.068 0.000 1.150 157 Y CB 0.647 39.098 38.460 -0.015 0.000 1.200 157 Y HN 0.571 nan 8.280 nan 0.000 0.472 158 H N 2.909 121.722 119.070 -0.429 0.000 2.954 158 H HA 0.584 5.144 4.556 0.006 0.000 0.361 158 H C -1.228 173.794 175.328 -0.510 0.000 1.122 158 H CA -0.257 55.617 56.048 -0.290 0.000 1.217 158 H CB 1.737 31.561 29.762 0.103 0.000 1.776 158 H HN 0.727 nan 8.280 nan 0.000 0.533 159 S N 2.391 117.847 115.700 -0.406 0.000 3.070 159 S HA 0.423 4.896 4.470 0.006 0.000 0.320 159 S C -1.913 172.664 174.600 -0.039 0.000 1.215 159 S CA -0.594 57.544 58.200 -0.104 0.000 0.956 159 S CB 0.486 63.658 63.200 -0.047 0.000 1.337 159 S HN 0.510 nan 8.310 nan 0.000 0.639 160 Y N 0.672 121.108 120.300 0.227 0.000 2.352 160 Y HA 0.504 5.057 4.550 0.006 0.000 0.339 160 Y C 0.685 176.653 175.900 0.113 0.000 0.992 160 Y CA -0.634 57.544 58.100 0.129 0.000 1.100 160 Y CB 1.753 40.173 38.460 -0.067 0.000 1.192 160 Y HN 0.291 nan 8.280 nan 0.000 0.458 161 V N 1.418 121.425 119.914 0.154 0.000 3.596 161 V HA 0.009 4.133 4.120 0.006 0.000 0.289 161 V C 0.468 176.561 176.094 -0.002 0.000 1.336 161 V CA 0.130 62.416 62.300 -0.023 0.000 1.137 161 V CB -0.474 31.327 31.823 -0.036 0.000 0.966 161 V HN 0.715 nan 8.190 nan 0.000 0.428 162 S N 0.989 116.725 115.700 0.060 0.000 2.568 162 S HA 0.509 4.983 4.470 0.006 0.000 0.282 162 S C 0.739 175.358 174.600 0.032 0.000 1.338 162 S CA 0.805 59.046 58.200 0.070 0.000 1.045 162 S CB 0.846 64.086 63.200 0.067 0.000 0.873 162 S HN 0.929 nan 8.310 nan 0.000 0.516 163 G N 0.236 109.054 108.800 0.030 0.000 2.352 163 G HA2 -0.119 3.845 3.960 0.006 0.000 0.324 163 G HA3 -0.119 3.845 3.960 0.006 0.000 0.324 163 G C 0.467 175.347 174.900 -0.033 0.000 1.249 163 G CA -0.193 44.885 45.100 -0.036 0.000 1.053 163 G HN 1.325 nan 8.290 nan 0.000 0.492 164 V N -2.686 117.216 119.914 -0.020 0.000 2.951 164 V HA 0.537 4.661 4.120 0.006 0.000 0.255 164 V C 2.023 178.131 176.094 0.022 0.000 1.088 164 V CA 2.378 64.687 62.300 0.015 0.000 1.109 164 V CB -0.079 31.777 31.823 0.056 0.000 0.724 164 V HN 2.325 nan 8.190 nan 0.000 0.471 165 A N 0.698 123.526 122.820 0.014 0.000 2.842 165 A HA 0.669 4.993 4.320 0.006 0.000 0.298 165 A C 1.753 179.318 177.584 -0.032 0.000 1.293 165 A CA 0.398 52.440 52.037 0.009 0.000 0.959 165 A CB -0.688 18.328 19.000 0.027 0.000 1.119 165 A HN 0.535 nan 8.150 nan 0.000 0.564 166 G N 1.731 110.510 108.800 -0.035 0.000 2.545 166 G HA2 -0.209 3.755 3.960 0.006 0.000 0.217 166 G HA3 -0.209 3.755 3.960 0.006 0.000 0.217 166 G C -0.325 174.533 174.900 -0.070 0.000 1.218 166 G CA 1.519 46.583 45.100 -0.060 0.000 0.787 166 G HN 0.477 nan 8.290 nan 0.000 0.571 167 P HA -0.027 nan 4.420 nan 0.000 0.218 167 P C 0.812 178.098 177.300 -0.023 0.000 1.148 167 P CA 1.566 64.658 63.100 -0.014 0.000 0.822 167 P CB -0.087 31.626 31.700 0.021 0.000 0.784 168 D N -0.689 119.694 120.400 -0.028 0.000 2.097 168 D HA -0.117 4.527 4.640 0.006 0.000 0.197 168 D C 1.898 178.146 176.300 -0.087 0.000 0.984 168 D CA 0.979 54.962 54.000 -0.029 0.000 0.826 168 D CB -0.835 39.959 40.800 -0.010 0.000 0.973 168 D HN 0.167 nan 8.370 nan 0.000 0.460 169 I N 0.976 121.441 120.570 -0.176 0.000 2.252 169 I HA -0.230 3.944 4.170 0.006 0.000 0.245 169 I C 2.417 178.225 176.117 -0.515 0.000 1.102 169 I CA 0.930 61.984 61.300 -0.410 0.000 1.385 169 I CB -0.290 37.383 38.000 -0.545 0.000 1.064 169 I HN -0.025 nan 8.210 nan 0.000 0.414 170 A N 0.480 123.128 122.820 -0.287 0.000 1.908 170 A HA -0.166 4.158 4.320 0.006 0.000 0.218 170 A C 2.466 180.071 177.584 0.035 0.000 1.181 170 A CA 1.820 53.802 52.037 -0.092 0.000 0.627 170 A CB -1.000 17.991 19.000 -0.016 0.000 0.818 170 A HN 0.237 nan 8.150 nan 0.000 0.445 171 V N -0.159 119.761 119.914 0.010 0.000 2.255 171 V HA -0.314 3.810 4.120 0.006 0.000 0.247 171 V C 2.604 178.759 176.094 0.102 0.000 1.051 171 V CA 2.242 64.571 62.300 0.047 0.000 1.018 171 V CB -0.605 31.229 31.823 0.019 0.000 0.641 171 V HN 0.685 nan 8.190 nan 0.000 0.445 172 M N -1.053 118.598 119.600 0.086 0.000 2.159 172 M HA -0.163 4.321 4.480 0.006 0.000 0.263 172 M C 2.193 178.702 176.300 0.348 0.000 1.063 172 M CA 2.136 57.541 55.300 0.174 0.000 1.110 172 M CB -0.503 32.179 32.600 0.137 0.000 1.374 172 M HN 0.319 nan 8.290 nan 0.000 0.411 173 F N 0.689 120.704 119.950 0.108 0.000 2.102 173 F HA -0.095 4.436 4.527 0.006 0.000 0.298 173 F C 2.815 178.704 175.800 0.149 0.000 1.105 173 F CA 1.222 59.295 58.000 0.121 0.000 1.239 173 F CB -1.752 37.298 39.000 0.084 0.000 0.991 173 F HN 0.230 nan 8.300 nan 0.000 0.474 174 A N -0.071 122.968 122.820 0.365 0.000 1.902 174 A HA -0.214 4.110 4.320 0.006 0.000 0.217 174 A C 2.119 179.908 177.584 0.341 0.000 1.181 174 A CA 1.849 54.104 52.037 0.364 0.000 0.623 174 A CB -0.846 18.395 19.000 0.401 0.000 0.818 174 A HN 0.443 nan 8.150 nan 0.000 0.443 175 E N -0.308 120.047 120.200 0.259 0.000 2.150 175 E HA -0.124 4.230 4.350 0.006 0.000 0.193 175 E C 1.249 177.966 176.600 0.195 0.000 0.985 175 E CA 1.145 57.670 56.400 0.208 0.000 0.814 175 E CB -0.004 29.787 29.700 0.151 0.000 0.752 175 E HN 0.554 nan 8.360 nan 0.000 0.466 176 E N -0.632 119.699 120.200 0.217 0.000 2.476 176 E HA 0.101 4.455 4.350 0.006 0.000 0.196 176 E C 0.724 177.430 176.600 0.176 0.000 1.029 176 E CA 0.446 56.968 56.400 0.203 0.000 0.896 176 E CB 1.167 31.003 29.700 0.227 0.000 1.012 176 E HN 0.323 nan 8.360 nan 0.000 0.475 177 G N 1.497 110.394 108.800 0.162 0.000 2.149 177 G HA2 -0.275 3.689 3.960 0.006 0.000 0.235 177 G HA3 -0.275 3.689 3.960 0.006 0.000 0.235 177 G C 0.405 175.368 174.900 0.104 0.000 1.018 177 G CA 0.242 45.411 45.100 0.116 0.000 0.728 177 G HN 0.163 nan 8.290 nan 0.000 0.508 178 V N 0.360 120.335 119.914 0.103 0.000 2.529 178 V HA 0.116 4.239 4.120 0.006 0.000 0.292 178 V C 1.466 177.585 176.094 0.042 0.000 1.028 178 V CA 1.075 63.394 62.300 0.032 0.000 1.074 178 V CB 0.889 32.512 31.823 -0.333 0.000 0.958 178 V HN 0.503 nan 8.190 nan 0.000 0.481 179 N N 2.604 121.347 118.700 0.071 0.000 2.405 179 N HA 0.234 4.978 4.740 0.006 0.000 0.175 179 N C 0.577 176.225 175.510 0.230 0.000 1.051 179 N CA 0.654 53.776 53.050 0.120 0.000 0.899 179 N CB 0.332 38.846 38.487 0.045 0.000 1.000 179 N HN 0.779 nan 8.380 nan 0.000 0.451 180 G N -1.050 107.823 108.800 0.122 0.000 2.659 180 G HA2 0.807 4.771 3.960 0.006 0.000 0.296 180 G HA3 0.807 4.771 3.960 0.006 0.000 0.296 180 G C -1.785 172.714 174.900 -0.667 0.000 1.369 180 G CA -0.434 44.626 45.100 -0.065 0.000 0.937 180 G HN 0.207 nan 8.290 nan 0.000 0.485 181 A N 0.437 122.871 122.820 -0.644 0.000 2.612 181 A HA 0.738 5.062 4.320 0.006 0.000 0.293 181 A C -1.406 176.030 177.584 -0.245 0.000 1.075 181 A CA -0.788 50.846 52.037 -0.671 0.000 0.680 181 A CB 1.046 19.993 19.000 -0.089 0.000 1.279 181 A HN 0.806 nan 8.150 nan 0.000 0.411 182 H N 1.100 120.034 119.070 -0.227 0.000 2.582 182 H HA 0.642 5.202 4.556 0.007 0.000 0.345 182 H C -0.138 175.162 175.328 -0.047 0.000 1.104 182 H CA 0.731 56.726 56.048 -0.088 0.000 1.390 182 H CB 0.969 30.650 29.762 -0.135 0.000 1.461 182 H HN 0.468 nan 8.280 nan 0.000 0.551 183 Q N 2.494 122.338 119.800 0.074 0.000 2.364 183 Q HA 0.191 4.535 4.340 0.006 0.000 0.251 183 Q C -1.994 174.001 176.000 -0.008 0.000 0.927 183 Q CA -0.537 55.285 55.803 0.032 0.000 0.924 183 Q CB 2.145 30.889 28.738 0.010 0.000 1.419 183 Q HN 0.765 nan 8.270 nan 0.000 0.427 184 D N 4.984 125.368 120.400 -0.026 0.000 2.764 184 D HA 0.276 4.920 4.640 0.006 0.000 0.227 184 D C -2.046 174.156 176.300 -0.162 0.000 1.347 184 D CA -1.338 52.608 54.000 -0.091 0.000 0.953 184 D CB 2.197 42.984 40.800 -0.021 0.000 1.476 184 D HN 0.171 nan 8.370 nan 0.000 0.585 185 P HA -0.103 nan 4.420 nan 0.000 0.221 185 P C 1.081 178.071 177.300 -0.517 0.000 1.150 185 P CA 0.941 63.644 63.100 -0.661 0.000 0.800 185 P CB 0.727 31.567 31.700 -1.433 0.000 0.787 186 Q N -1.137 118.442 119.800 -0.369 0.000 2.084 186 Q HA -0.207 4.137 4.340 0.006 0.000 0.202 186 Q C 2.285 178.224 176.000 -0.103 0.000 0.978 186 Q CA 1.267 56.975 55.803 -0.157 0.000 0.844 186 Q CB -0.871 27.778 28.738 -0.148 0.000 0.898 186 Q HN 0.229 nan 8.270 nan 0.000 0.426 187 Y N 2.556 122.804 120.300 -0.087 0.000 2.040 187 Y HA -0.348 4.206 4.550 0.006 0.000 0.275 187 Y C 1.810 177.702 175.900 -0.014 0.000 1.171 187 Y CA 2.017 60.159 58.100 0.070 0.000 1.123 187 Y CB -0.434 38.063 38.460 0.061 0.000 0.963 187 Y HN 0.123 nan 8.280 nan 0.000 0.493 188 N N -0.037 118.601 118.700 -0.105 0.000 2.137 188 N HA -0.186 4.558 4.740 0.006 0.000 0.190 188 N C 1.913 177.264 175.510 -0.265 0.000 1.017 188 N CA 1.890 54.811 53.050 -0.215 0.000 0.859 188 N CB -0.693 37.733 38.487 -0.102 0.000 1.002 188 N HN 0.385 nan 8.380 nan 0.000 0.428 189 V N 1.180 120.965 119.914 -0.216 0.000 2.302 189 V HA -0.079 4.045 4.120 0.006 0.000 0.243 189 V C 2.380 178.307 176.094 -0.278 0.000 1.036 189 V CA 1.094 63.291 62.300 -0.170 0.000 1.020 189 V CB -0.515 31.284 31.823 -0.040 0.000 0.657 189 V HN 0.150 nan 8.190 nan 0.000 0.453 190 L N -1.402 119.546 121.223 -0.459 0.000 2.095 190 L HA -0.094 4.250 4.340 0.006 0.000 0.204 190 L C 2.469 178.905 176.870 -0.722 0.000 1.080 190 L CA 1.662 56.101 54.840 -0.667 0.000 0.759 190 L CB -0.545 40.885 42.059 -1.048 0.000 0.914 190 L HN 0.337 nan 8.230 nan 0.000 0.439 191 Y N -1.450 118.665 120.300 -0.308 0.000 2.503 191 Y HA 0.141 4.695 4.550 0.006 0.000 0.277 191 Y C 2.215 177.906 175.900 -0.348 0.000 1.102 191 Y CA 0.006 57.909 58.100 -0.327 0.000 1.261 191 Y CB 0.091 38.330 38.460 -0.368 0.000 1.096 191 Y HN -0.073 nan 8.280 nan 0.000 0.546 192 R N 0.115 120.407 120.500 -0.347 0.000 2.437 192 R HA 0.122 4.465 4.340 0.006 0.000 0.257 192 R C 0.116 176.368 176.300 -0.081 0.000 0.927 192 R CA -0.010 55.958 56.100 -0.221 0.000 1.078 192 R CB -0.452 29.625 30.300 -0.371 0.000 1.161 192 R HN 0.202 nan 8.270 nan 0.000 0.529 193 N N 1.065 119.695 118.700 -0.116 0.000 2.693 193 N HA -0.210 4.533 4.740 0.006 0.000 0.249 193 N C -0.615 174.876 175.510 -0.032 0.000 1.119 193 N CA 0.382 53.393 53.050 -0.065 0.000 0.717 193 N CB -1.390 37.081 38.487 -0.026 0.000 1.071 193 N HN 0.285 nan 8.380 nan 0.000 0.555 194 I N 0.984 121.519 120.570 -0.058 0.000 2.648 194 I HA -0.042 4.132 4.170 0.006 0.000 0.284 194 I C 1.361 177.453 176.117 -0.041 0.000 1.153 194 I CA -0.120 61.159 61.300 -0.034 0.000 1.426 194 I CB 0.361 38.325 38.000 -0.060 0.000 1.381 194 I HN 0.248 nan 8.210 nan 0.000 0.571 195 N N 7.266 125.948 118.700 -0.030 0.000 2.357 195 N HA -0.059 4.685 4.740 0.006 0.000 0.257 195 N C 0.999 176.493 175.510 -0.027 0.000 1.250 195 N CA -0.021 52.999 53.050 -0.051 0.000 0.862 195 N CB 0.793 39.245 38.487 -0.058 0.000 1.066 195 N HN 0.695 nan 8.380 nan 0.000 0.468 196 M N 3.939 123.506 119.600 -0.054 0.000 2.077 196 M HA -0.125 4.359 4.480 0.006 0.000 0.261 196 M C 1.739 178.145 176.300 0.177 0.000 1.070 196 M CA 1.400 56.756 55.300 0.093 0.000 1.125 196 M CB -0.484 32.134 32.600 0.030 0.000 1.339 196 M HN 0.451 nan 8.290 nan 0.000 0.409 197 I N 0.962 121.463 120.570 -0.115 0.000 2.113 197 I HA -0.308 3.865 4.170 0.006 0.000 0.242 197 I C 2.937 179.137 176.117 0.139 0.000 1.064 197 I CA 2.040 63.362 61.300 0.037 0.000 1.320 197 I CB -0.674 37.266 38.000 -0.101 0.000 1.028 197 I HN 0.394 nan 8.210 nan 0.000 0.406 198 R N 0.991 121.523 120.500 0.054 0.000 2.092 198 R HA -0.144 4.200 4.340 0.006 0.000 0.231 198 R C 2.348 178.686 176.300 0.065 0.000 1.119 198 R CA 2.016 58.148 56.100 0.053 0.000 0.970 198 R CB -0.728 29.580 30.300 0.013 0.000 0.864 198 R HN 0.283 nan 8.270 nan 0.000 0.440 199 S N -0.834 114.902 115.700 0.060 0.000 2.355 199 S HA -0.084 4.390 4.470 0.006 0.000 0.222 199 S C 1.656 176.180 174.600 -0.126 0.000 1.031 199 S CA 1.189 59.358 58.200 -0.052 0.000 0.993 199 S CB -0.377 62.757 63.200 -0.111 0.000 0.859 199 S HN 0.424 nan 8.310 nan 0.000 0.453 200 F N 1.297 121.257 119.950 0.016 0.000 2.259 200 F HA 0.194 4.725 4.527 0.007 0.000 0.298 200 F C 1.998 177.862 175.800 0.106 0.000 1.088 200 F CA 0.717 58.714 58.000 -0.006 0.000 1.358 200 F CB -0.272 38.752 39.000 0.040 0.000 1.040 200 F HN 0.228 nan 8.300 nan 0.000 0.505 201 I N -0.401 120.320 120.570 0.252 0.000 2.286 201 I HA -0.240 3.934 4.170 0.006 0.000 0.245 201 I C 1.851 178.023 176.117 0.090 0.000 1.104 201 I CA 1.131 62.538 61.300 0.178 0.000 1.397 201 I CB -0.411 37.682 38.000 0.156 0.000 1.072 201 I HN -0.037 nan 8.210 nan 0.000 0.417 202 D N 1.191 121.624 120.400 0.056 0.000 2.144 202 D HA -0.152 4.492 4.640 0.006 0.000 0.199 202 D C 2.263 178.553 176.300 -0.017 0.000 0.984 202 D CA 1.491 55.500 54.000 0.016 0.000 0.834 202 D CB -0.172 40.629 40.800 0.001 0.000 0.955 202 D HN 0.325 nan 8.370 nan 0.000 0.465 203 A N 0.093 122.891 122.820 -0.037 0.000 1.933 203 A HA -0.206 4.117 4.320 0.006 0.000 0.218 203 A C 2.484 180.075 177.584 0.012 0.000 1.175 203 A CA 1.290 53.308 52.037 -0.031 0.000 0.628 203 A CB -0.995 17.924 19.000 -0.136 0.000 0.814 203 A HN 0.362 nan 8.150 nan 0.000 0.444 204 C N -1.096 118.168 119.300 -0.060 0.000 2.401 204 C HA -0.107 4.357 4.460 0.006 0.000 0.276 204 C C 2.734 177.492 174.990 -0.387 0.000 1.233 204 C CA 1.598 60.296 59.018 -0.533 0.000 1.753 204 C CB -0.949 26.173 27.740 -1.031 0.000 2.029 204 C HN 0.784 nan 8.230 nan 0.000 0.478 205 E N 0.931 121.036 120.200 -0.159 0.000 2.033 205 E HA -0.087 4.267 4.350 0.006 0.000 0.189 205 E C 2.274 178.865 176.600 -0.014 0.000 0.979 205 E CA 1.529 57.896 56.400 -0.056 0.000 0.802 205 E CB -0.334 29.347 29.700 -0.032 0.000 0.763 205 E HN 0.463 nan 8.360 nan 0.000 0.449 206 S N 0.617 116.307 115.700 -0.016 0.000 2.369 206 S HA -0.243 4.231 4.470 0.006 0.000 0.225 206 S C 1.839 176.453 174.600 0.024 0.000 1.043 206 S CA 1.822 60.023 58.200 0.001 0.000 1.074 206 S CB -0.325 62.865 63.200 -0.016 0.000 0.962 206 S HN 0.254 nan 8.310 nan 0.000 0.433 207 K N 0.135 120.542 120.400 0.012 0.000 2.057 207 K HA -0.043 4.281 4.320 0.006 0.000 0.206 207 K C 2.397 179.028 176.600 0.052 0.000 1.050 207 K CA 1.466 57.774 56.287 0.035 0.000 0.935 207 K CB -0.501 32.025 32.500 0.043 0.000 0.715 207 K HN 0.291 nan 8.250 nan 0.000 0.439 208 T N 1.861 116.436 114.554 0.035 0.000 2.720 208 T HA -0.129 4.225 4.350 0.006 0.000 0.268 208 T C 1.835 176.625 174.700 0.151 0.000 1.037 208 T CA 1.226 63.389 62.100 0.104 0.000 1.144 208 T CB -0.161 68.789 68.868 0.136 0.000 0.864 208 T HN 0.161 nan 8.240 nan 0.000 0.444 209 I N 0.128 120.776 120.570 0.129 0.000 2.676 209 I HA -0.073 4.101 4.170 0.006 0.000 0.259 209 I C 2.328 178.589 176.117 0.240 0.000 1.194 209 I CA 0.954 62.357 61.300 0.172 0.000 1.473 209 I CB -0.244 37.819 38.000 0.106 0.000 1.096 209 I HN 0.274 nan 8.210 nan 0.000 0.443 210 M N -0.112 119.591 119.600 0.171 0.000 2.287 210 M HA -0.055 4.429 4.480 0.006 0.000 0.266 210 M C 2.537 178.926 176.300 0.148 0.000 1.079 210 M CA 1.362 56.756 55.300 0.156 0.000 1.146 210 M CB -0.222 32.437 32.600 0.098 0.000 1.374 210 M HN 0.279 nan 8.290 nan 0.000 0.435 211 A N -0.018 122.888 122.820 0.143 0.000 1.865 211 A HA -0.256 4.068 4.320 0.006 0.000 0.217 211 A C 1.828 179.498 177.584 0.143 0.000 1.191 211 A CA 1.779 53.890 52.037 0.123 0.000 0.623 211 A CB -1.492 17.582 19.000 0.123 0.000 0.826 211 A HN 0.763 nan 8.150 nan 0.000 0.444 212 W N 0.661 121.995 121.300 0.057 0.000 2.305 212 W HA -0.212 4.452 4.660 0.006 0.000 0.308 212 W C 2.132 178.685 176.519 0.056 0.000 1.226 212 W CA 2.496 59.875 57.345 0.057 0.000 1.253 212 W CB -0.136 29.361 29.460 0.062 0.000 1.146 212 W HN 0.332 nan 8.180 nan 0.000 0.507 213 A N -0.022 122.882 122.820 0.140 0.000 2.238 213 A HA 0.051 4.375 4.320 0.006 0.000 0.208 213 A C 0.726 178.254 177.584 -0.094 0.000 1.177 213 A CA 1.000 53.009 52.037 -0.047 0.000 0.804 213 A CB -0.852 18.279 19.000 0.220 0.000 0.823 213 A HN 0.389 nan 8.150 nan 0.000 0.482 214 D N -1.385 118.972 120.400 -0.071 0.000 2.686 214 D HA -0.180 4.464 4.640 0.006 0.000 0.235 214 D C -0.089 176.222 176.300 0.018 0.000 1.160 214 D CA 0.944 54.924 54.000 -0.033 0.000 0.645 214 D CB -1.579 39.177 40.800 -0.073 0.000 1.039 214 D HN 0.549 nan 8.370 nan 0.000 0.423 215 M N 0.334 119.953 119.600 0.032 0.000 2.277 215 M HA 0.518 5.001 4.480 0.006 0.000 0.350 215 M C 0.835 177.102 176.300 -0.054 0.000 1.180 215 M CA -0.385 54.935 55.300 0.033 0.000 1.103 215 M CB 1.571 34.199 32.600 0.048 0.000 1.577 215 M HN 0.232 nan 8.290 nan 0.000 0.459 216 A N 2.698 125.408 122.820 -0.184 0.000 2.371 216 A HA 0.299 4.623 4.320 0.006 0.000 0.257 216 A C -0.540 176.881 177.584 -0.271 0.000 1.089 216 A CA -0.317 51.458 52.037 -0.436 0.000 0.794 216 A CB 0.492 18.734 19.000 -1.264 0.000 1.029 216 A HN 0.802 nan 8.150 nan 0.000 0.488 217 Q N 1.689 121.369 119.800 -0.200 0.000 2.331 217 Q HA 0.608 4.952 4.340 0.006 0.000 0.267 217 Q C -1.499 174.413 176.000 -0.147 0.000 1.006 217 Q CA -0.401 55.326 55.803 -0.127 0.000 0.818 217 Q CB 1.000 29.708 28.738 -0.049 0.000 1.276 217 Q HN 0.710 nan 8.270 nan 0.000 0.450 218 I N 3.661 124.118 120.570 -0.188 0.000 2.392 218 I HA 0.204 4.377 4.170 0.006 0.000 0.295 218 I C 0.146 176.137 176.117 -0.211 0.000 0.985 218 I CA -0.752 60.388 61.300 -0.265 0.000 1.221 218 I CB 1.322 39.003 38.000 -0.532 0.000 1.366 218 I HN 0.746 nan 8.210 nan 0.000 0.467 224 A N 1.708 124.403 122.820 -0.207 0.000 1.971 224 A HA -0.227 4.097 4.320 0.006 0.000 0.222 224 A C 2.070 179.550 177.584 -0.173 0.000 1.182 224 A CA 2.301 54.191 52.037 -0.246 0.000 0.649 224 A CB -1.107 17.548 19.000 -0.575 0.000 0.818 224 A HN 0.830 nan 8.150 nan 0.000 0.458 225 H N -0.858 118.217 119.070 0.007 0.000 2.518 225 H HA -0.070 4.490 4.556 0.006 0.000 0.292 225 H C 1.446 176.733 175.328 -0.068 0.000 1.068 225 H CA 1.168 57.217 56.048 0.002 0.000 1.275 225 H CB -0.643 29.137 29.762 0.029 0.000 1.375 225 H HN 0.529 nan 8.280 nan 0.000 0.563 226 N N 1.350 119.801 118.700 -0.415 0.000 2.188 226 N HA -0.054 4.690 4.740 0.006 0.000 0.184 226 N C 2.141 177.430 175.510 -0.368 0.000 1.018 226 N CA 1.215 53.962 53.050 -0.505 0.000 0.858 226 N CB -0.119 37.778 38.487 -0.984 0.000 0.989 226 N HN 0.504 nan 8.380 nan 0.000 0.426 227 A N 1.419 124.154 122.820 -0.142 0.000 2.019 227 A HA -0.132 4.191 4.320 0.006 0.000 0.219 227 A C 1.934 179.520 177.584 0.003 0.000 1.164 227 A CA 1.305 53.367 52.037 0.040 0.000 0.644 227 A CB -0.491 18.568 19.000 0.097 0.000 0.805 227 A HN 0.296 nan 8.150 nan 0.000 0.449 228 N N 0.608 119.297 118.700 -0.019 0.000 2.120 228 N HA -0.053 4.691 4.740 0.006 0.000 0.188 228 N C 1.744 177.214 175.510 -0.066 0.000 1.024 228 N CA 1.643 54.678 53.050 -0.024 0.000 0.852 228 N CB -0.353 38.137 38.487 0.006 0.000 1.003 228 N HN 0.472 nan 8.380 nan 0.000 0.424 229 A N -0.096 122.676 122.820 -0.080 0.000 1.970 229 A HA -0.049 4.275 4.320 0.006 0.000 0.216 229 A C 2.136 179.680 177.584 -0.068 0.000 1.170 229 A CA 1.676 53.657 52.037 -0.093 0.000 0.645 229 A CB -0.845 18.100 19.000 -0.091 0.000 0.816 229 A HN 0.461 nan 8.150 nan 0.000 0.447 230 T N -2.573 111.959 114.554 -0.037 0.000 3.065 230 T HA 0.504 4.858 4.350 0.006 0.000 0.252 230 T C 0.890 175.607 174.700 0.028 0.000 1.099 230 T CA 0.441 62.556 62.100 0.024 0.000 1.063 230 T CB -0.420 68.524 68.868 0.127 0.000 0.948 230 T HN 0.557 nan 8.240 nan 0.000 0.506 231 A N 1.903 124.726 122.820 0.005 0.000 2.462 231 A HA 0.422 4.746 4.320 0.006 0.000 0.243 231 A C 1.533 179.091 177.584 -0.044 0.000 1.076 231 A CA -0.596 51.433 52.037 -0.013 0.000 0.773 231 A CB 0.385 19.367 19.000 -0.031 0.000 1.010 231 A HN 0.280 nan 8.150 nan 0.000 0.493 232 R N 0.861 121.324 120.500 -0.061 0.000 2.062 232 R HA -0.016 4.328 4.340 0.006 0.000 0.226 232 R C -0.370 175.857 176.300 -0.122 0.000 1.125 232 R CA 1.149 57.208 56.100 -0.068 0.000 0.966 232 R CB -0.190 30.072 30.300 -0.064 0.000 0.861 232 R HN 0.825 nan 8.270 nan 0.000 0.433 233 E N -0.352 119.673 120.200 -0.292 0.000 2.186 233 E HA 0.316 4.670 4.350 0.006 0.000 0.255 233 E C -0.102 176.197 176.600 -0.501 0.000 0.881 233 E CA -0.113 55.902 56.400 -0.642 0.000 0.752 233 E CB 1.827 30.637 29.700 -1.483 0.000 1.176 233 E HN 0.124 nan 8.360 nan 0.000 0.421 234 A N 3.157 125.942 122.820 -0.059 0.000 2.024 234 A HA -0.155 4.169 4.320 0.006 0.000 0.220 234 A C 1.390 178.999 177.584 0.041 0.000 1.164 234 A CA 1.164 53.235 52.037 0.057 0.000 0.643 234 A CB -0.721 18.415 19.000 0.226 0.000 0.806 234 A HN 0.897 nan 8.150 nan 0.000 0.451 235 W N -0.666 120.648 121.300 0.023 0.000 3.316 235 W HA 0.281 4.944 4.660 0.006 0.000 0.258 235 W C 0.799 177.188 176.519 -0.217 0.000 1.330 235 W CA 0.506 57.799 57.345 -0.086 0.000 1.595 235 W CB -0.057 29.346 29.460 -0.095 0.000 1.088 235 W HN 0.131 nan 8.180 nan 0.000 0.734 236 K N -0.273 119.884 120.400 -0.405 0.000 2.450 236 K HA 0.061 4.385 4.320 0.006 0.000 0.206 236 K C 1.420 178.039 176.600 0.032 0.000 1.148 236 K CA 0.038 56.126 56.287 -0.332 0.000 1.014 236 K CB 0.650 32.919 32.500 -0.384 0.000 0.966 236 K HN 0.101 nan 8.250 nan 0.000 0.566 237 V N 1.502 121.405 119.914 -0.018 0.000 3.380 237 V HA -0.074 4.050 4.120 0.006 0.000 0.268 237 V C 1.601 177.732 176.094 0.062 0.000 1.168 237 V CA 0.989 63.319 62.300 0.050 0.000 1.156 237 V CB -0.349 31.481 31.823 0.010 0.000 0.785 237 V HN 0.296 nan 8.190 nan 0.000 0.487 238 M N 0.648 120.264 119.600 0.027 0.000 2.108 238 M HA -0.085 4.399 4.480 0.006 0.000 0.261 238 M C -0.162 176.204 176.300 0.111 0.000 1.066 238 M CA 2.389 57.631 55.300 -0.096 0.000 1.107 238 M CB -1.387 31.116 32.600 -0.161 0.000 1.356 238 M HN 0.295 nan 8.290 nan 0.000 0.406 239 P HA -0.158 nan 4.420 nan 0.000 0.216 239 P C 1.110 178.477 177.300 0.113 0.000 1.153 239 P CA 1.191 64.438 63.100 0.244 0.000 0.848 239 P CB -0.134 31.772 31.700 0.343 0.000 0.787 240 E N -0.202 120.079 120.200 0.135 0.000 2.114 240 E HA -0.205 4.148 4.350 0.006 0.000 0.199 240 E C 1.894 178.472 176.600 -0.036 0.000 1.008 240 E CA 1.075 57.448 56.400 -0.045 0.000 0.810 240 E CB -0.563 29.242 29.700 0.176 0.000 0.739 240 E HN 0.140 nan 8.360 nan 0.000 0.456 241 L N -0.104 121.133 121.223 0.023 0.000 2.017 241 L HA -0.226 4.118 4.340 0.006 0.000 0.208 241 L C 2.734 179.629 176.870 0.041 0.000 1.073 241 L CA 1.236 56.060 54.840 -0.025 0.000 0.745 241 L CB -0.343 41.736 42.059 0.033 0.000 0.894 241 L HN 0.286 nan 8.230 nan 0.000 0.432 242 M N -1.055 118.683 119.600 0.230 0.000 2.080 242 M HA -0.224 4.260 4.480 0.006 0.000 0.260 242 M C 2.314 178.753 176.300 0.232 0.000 1.068 242 M CA 1.560 57.068 55.300 0.347 0.000 1.109 242 M CB -0.599 32.210 32.600 0.347 0.000 1.342 242 M HN 0.086 nan 8.290 nan 0.000 0.405 243 V N 0.396 120.328 119.914 0.030 0.000 2.287 243 V HA -0.290 3.834 4.120 0.006 0.000 0.248 243 V C 2.353 178.463 176.094 0.027 0.000 1.053 243 V CA 1.878 64.152 62.300 -0.043 0.000 1.027 243 V CB -0.862 30.745 31.823 -0.359 0.000 0.646 243 V HN 0.531 nan 8.190 nan 0.000 0.447 244 Q N -1.234 118.550 119.800 -0.027 0.000 2.124 244 Q HA -0.199 4.145 4.340 0.006 0.000 0.202 244 Q C 2.303 178.273 176.000 -0.050 0.000 0.977 244 Q CA 1.458 57.217 55.803 -0.074 0.000 0.850 244 Q CB -0.260 28.388 28.738 -0.150 0.000 0.901 244 Q HN 0.713 nan 8.270 nan 0.000 0.429 245 H N 0.222 119.305 119.070 0.022 0.000 2.353 245 H HA -0.073 4.487 4.556 0.006 0.000 0.300 245 H C 2.074 177.498 175.328 0.160 0.000 1.090 245 H CA 1.488 57.510 56.048 -0.043 0.000 1.327 245 H CB -0.296 29.276 29.762 -0.317 0.000 1.383 245 H HN 0.315 nan 8.280 nan 0.000 0.508 246 A N 1.189 124.266 122.820 0.429 0.000 1.858 246 A HA -0.111 4.213 4.320 0.006 0.000 0.216 246 A C 2.775 180.425 177.584 0.110 0.000 1.190 246 A CA 1.300 53.494 52.037 0.261 0.000 0.617 246 A CB -0.923 18.148 19.000 0.119 0.000 0.827 246 A HN 0.282 nan 8.150 nan 0.000 0.443 247 L N -0.630 120.633 121.223 0.068 0.000 2.017 247 L HA -0.209 4.135 4.340 0.006 0.000 0.208 247 L C 2.507 179.402 176.870 0.042 0.000 1.073 247 L CA 1.884 56.733 54.840 0.016 0.000 0.745 247 L CB -0.738 41.269 42.059 -0.087 0.000 0.894 247 L HN 0.510 nan 8.230 nan 0.000 0.432 248 N N -0.488 118.219 118.700 0.012 0.000 2.309 248 N HA -0.129 4.614 4.740 0.006 0.000 0.182 248 N C 1.839 177.411 175.510 0.103 0.000 1.018 248 N CA 1.185 54.243 53.050 0.013 0.000 0.876 248 N CB 0.146 38.615 38.487 -0.031 0.000 0.972 248 N HN 0.127 nan 8.380 nan 0.000 0.434 249 S N -0.124 115.620 115.700 0.072 0.000 2.348 249 S HA -0.003 4.471 4.470 0.006 0.000 0.219 249 S C 1.726 176.418 174.600 0.154 0.000 1.033 249 S CA 0.519 58.735 58.200 0.027 0.000 0.974 249 S CB -0.264 62.756 63.200 -0.301 0.000 0.868 249 S HN 0.323 nan 8.310 nan 0.000 0.459 250 I N 1.318 121.967 120.570 0.131 0.000 2.226 250 I HA -0.098 4.076 4.170 0.006 0.000 0.245 250 I C 1.833 178.056 176.117 0.178 0.000 1.100 250 I CA 1.000 62.399 61.300 0.164 0.000 1.374 250 I CB -0.485 37.578 38.000 0.106 0.000 1.057 250 I HN 0.273 nan 8.210 nan 0.000 0.413 251 F N 0.592 120.560 119.950 0.031 0.000 2.069 251 F HA -0.310 4.221 4.527 0.006 0.000 0.298 251 F C 2.695 178.509 175.800 0.024 0.000 1.113 251 F CA 2.224 60.235 58.000 0.019 0.000 1.214 251 F CB -0.562 38.444 39.000 0.010 0.000 0.978 251 F HN 0.021 nan 8.300 nan 0.000 0.474 252 S N 0.573 116.447 115.700 0.291 0.000 2.374 252 S HA -0.231 4.243 4.470 0.006 0.000 0.227 252 S C 1.825 176.486 174.600 0.101 0.000 1.037 252 S CA 1.543 59.850 58.200 0.178 0.000 1.024 252 S CB -0.704 62.606 63.200 0.183 0.000 0.861 252 S HN 0.383 nan 8.310 nan 0.000 0.456 253 L N 1.849 123.155 121.223 0.139 0.000 2.027 253 L HA 0.004 4.348 4.340 0.006 0.000 0.206 253 L C 2.039 178.939 176.870 0.050 0.000 1.074 253 L CA 1.783 56.693 54.840 0.117 0.000 0.745 253 L CB -0.430 41.731 42.059 0.170 0.000 0.898 253 L HN 0.054 nan 8.230 nan 0.000 0.433 254 K N -0.897 119.512 120.400 0.015 0.000 2.283 254 K HA -0.035 4.289 4.320 0.006 0.000 0.202 254 K C 1.947 178.531 176.600 -0.028 0.000 1.048 254 K CA 1.049 57.324 56.287 -0.019 0.000 0.948 254 K CB -0.228 32.245 32.500 -0.046 0.000 0.742 254 K HN 0.272 nan 8.250 nan 0.000 0.458 255 V N 0.118 119.979 119.914 -0.089 0.000 2.809 255 V HA -0.096 4.028 4.120 0.006 0.000 0.256 255 V C 1.571 177.713 176.094 0.080 0.000 1.080 255 V CA 1.761 64.043 62.300 -0.030 0.000 1.102 255 V CB -0.134 31.566 31.823 -0.205 0.000 0.705 255 V HN 0.646 nan 8.190 nan 0.000 0.475 256 G N -1.389 107.445 108.800 0.056 0.000 2.205 256 G HA2 -0.191 3.773 3.960 0.006 0.000 0.180 256 G HA3 -0.191 3.773 3.960 0.006 0.000 0.180 256 G C 0.157 175.096 174.900 0.065 0.000 1.004 256 G CA -0.074 45.068 45.100 0.069 0.000 0.670 256 G HN 0.312 nan 8.290 nan 0.000 0.496 257 M N 1.711 121.350 119.600 0.065 0.000 2.245 257 M HA 0.277 4.761 4.480 0.006 0.000 0.344 257 M C 0.868 177.202 176.300 0.056 0.000 1.170 257 M CA 0.395 55.735 55.300 0.066 0.000 1.135 257 M CB 0.493 33.139 32.600 0.077 0.000 1.574 257 M HN 0.285 nan 8.290 nan 0.000 0.452 258 K N 2.930 123.356 120.400 0.044 0.000 2.218 258 K HA 0.219 4.543 4.320 0.006 0.000 0.276 258 K C 0.267 176.874 176.600 0.011 0.000 1.022 258 K CA -0.706 55.593 56.287 0.020 0.000 0.946 258 K CB 1.136 33.648 32.500 0.020 0.000 1.000 258 K HN 0.549 nan 8.250 nan 0.000 0.468 259 K N 0.962 121.326 120.400 -0.059 0.000 2.089 259 K HA -0.207 4.117 4.320 0.006 0.000 0.210 259 K C 1.727 178.287 176.600 -0.066 0.000 1.048 259 K CA 2.297 58.485 56.287 -0.165 0.000 0.926 259 K CB -0.183 32.084 32.500 -0.388 0.000 0.714 259 K HN 0.805 nan 8.250 nan 0.000 0.448 260 S N 0.236 115.912 115.700 -0.040 0.000 2.660 260 S HA 0.037 4.510 4.470 0.006 0.000 0.223 260 S C 0.966 175.637 174.600 0.119 0.000 0.963 260 S CA 0.429 58.630 58.200 0.002 0.000 0.932 260 S CB 0.043 63.234 63.200 -0.016 0.000 0.775 260 S HN 0.206 nan 8.310 nan 0.000 0.531 261 N N 0.674 119.425 118.700 0.086 0.000 2.197 261 N HA 0.368 5.112 4.740 0.006 0.000 0.201 261 N C -0.441 175.079 175.510 0.018 0.000 1.148 261 N CA -0.018 53.063 53.050 0.052 0.000 0.883 261 N CB 0.446 38.947 38.487 0.023 0.000 1.012 261 N HN 0.449 nan 8.380 nan 0.000 0.507 262 I N 1.717 122.342 120.570 0.092 0.000 2.308 262 I HA 0.146 4.320 4.170 0.006 0.000 0.293 262 I C -0.280 175.904 176.117 0.112 0.000 1.078 262 I CA -0.288 61.094 61.300 0.136 0.000 1.292 262 I CB 0.301 38.493 38.000 0.320 0.000 1.423 262 I HN -0.104 nan 8.210 nan 0.000 0.493 263 C N 7.102 126.404 119.300 0.003 0.000 2.295 263 C HA 0.487 4.951 4.460 0.006 0.000 0.331 263 C C 0.209 175.144 174.990 -0.092 0.000 1.280 263 C CA -0.916 58.076 59.018 -0.042 0.000 1.746 263 C CB 0.428 28.117 27.740 -0.084 0.000 2.328 263 C HN 0.461 nan 8.230 nan 0.000 0.521 264 L N 2.823 123.940 121.223 -0.178 0.000 2.367 264 L HA 0.273 4.617 4.340 0.006 0.000 0.275 264 L C 0.844 177.632 176.870 -0.136 0.000 1.129 264 L CA 0.786 55.440 54.840 -0.311 0.000 0.839 264 L CB 0.620 42.198 42.059 -0.801 0.000 1.133 264 L HN 0.742 nan 8.230 nan 0.000 0.453 265 S N 1.749 117.495 115.700 0.076 0.000 2.399 265 S HA 0.349 4.823 4.470 0.006 0.000 0.301 265 S C -0.103 174.648 174.600 0.250 0.000 1.093 265 S CA -0.377 57.916 58.200 0.155 0.000 1.077 265 S CB -0.042 63.351 63.200 0.321 0.000 0.980 265 S HN 0.652 nan 8.310 nan 0.000 0.494 266 T N 5.376 119.999 114.554 0.113 0.000 2.833 266 T HA 0.532 4.885 4.350 0.006 0.000 0.297 266 T C -0.851 173.939 174.700 0.149 0.000 1.015 266 T CA -0.460 61.739 62.100 0.166 0.000 0.963 266 T CB 0.433 69.320 68.868 0.031 0.000 0.955 266 T HN 0.351 nan 8.240 nan 0.000 0.449 267 V N 8.325 128.355 119.914 0.194 0.000 2.472 267 V HA 0.468 4.592 4.120 0.006 0.000 0.290 267 V C -2.125 174.087 176.094 0.197 0.000 1.037 267 V CA -2.166 60.225 62.300 0.152 0.000 0.908 267 V CB 1.495 33.394 31.823 0.127 0.000 0.985 267 V HN 0.726 nan 8.190 nan 0.000 0.454 268 P HA 0.235 nan 4.420 nan 0.000 0.271 268 P C -2.266 175.155 177.300 0.201 0.000 1.220 268 P CA -1.278 61.946 63.100 0.207 0.000 0.768 268 P CB 0.406 32.206 31.700 0.167 0.000 0.848 269 P HA -0.036 nan 4.420 nan 0.000 0.227 269 P C 0.312 177.826 177.300 0.358 0.000 1.161 269 P CA 1.171 64.399 63.100 0.213 0.000 0.788 269 P CB 0.247 32.033 31.700 0.144 0.000 0.822 270 T N -3.965 110.769 114.554 0.299 0.000 2.887 270 T HA 0.824 5.177 4.350 0.006 0.000 0.292 270 T C -1.198 173.598 174.700 0.160 0.000 1.087 270 T CA -0.973 61.274 62.100 0.246 0.000 1.009 270 T CB 2.319 71.240 68.868 0.089 0.000 1.203 270 T HN -0.047 nan 8.240 nan 0.000 0.518 271 A N 1.069 123.901 122.820 0.021 0.000 2.587 271 A HA 0.869 5.193 4.320 0.006 0.000 0.293 271 A C -3.203 174.340 177.584 -0.068 0.000 1.087 271 A CA -1.829 50.228 52.037 0.034 0.000 0.692 271 A CB 0.908 19.989 19.000 0.136 0.000 1.291 271 A HN 0.693 nan 8.150 nan 0.000 0.407 272 P HA 0.239 nan 4.420 nan 0.000 0.269 272 P C -1.821 175.429 177.300 -0.083 0.000 1.215 272 P CA -0.776 62.281 63.100 -0.071 0.000 0.780 272 P CB 0.102 31.776 31.700 -0.044 0.000 0.898 273 P HA 0.019 nan 4.420 nan 0.000 0.239 273 P C 0.218 177.429 177.300 -0.149 0.000 1.184 273 P CA 0.516 63.550 63.100 -0.109 0.000 0.760 273 P CB -0.149 31.491 31.700 -0.100 0.000 0.884 274 A N 2.161 124.864 122.820 -0.196 0.000 2.425 274 A HA 0.365 4.688 4.320 0.006 0.000 0.242 274 A C -2.022 175.469 177.584 -0.155 0.000 1.077 274 A CA -1.163 50.730 52.037 -0.241 0.000 0.781 274 A CB -0.655 18.148 19.000 -0.327 0.000 1.020 274 A HN 0.003 nan 8.150 nan 0.000 0.494 275 P HA 0.105 nan 4.420 nan 0.000 0.252 275 P C 0.633 177.925 177.300 -0.013 0.000 1.727 275 P CA 0.128 63.178 63.100 -0.082 0.000 1.134 275 P CB 0.137 31.762 31.700 -0.125 0.000 1.876 276 S N 2.566 118.262 115.700 -0.007 0.000 2.357 276 S HA -0.140 4.334 4.470 0.006 0.000 0.221 276 S C 1.881 176.529 174.600 0.081 0.000 1.031 276 S CA 0.717 58.934 58.200 0.029 0.000 0.982 276 S CB -0.806 62.412 63.200 0.031 0.000 0.853 276 S HN 0.054 nan 8.310 nan 0.000 0.458 277 M N 0.748 120.399 119.600 0.085 0.000 2.089 277 M HA -0.086 4.398 4.480 0.006 0.000 0.257 277 M C 2.131 178.509 176.300 0.131 0.000 1.071 277 M CA 1.640 57.000 55.300 0.100 0.000 1.096 277 M CB -1.525 31.130 32.600 0.091 0.000 1.330 277 M HN 0.503 nan 8.290 nan 0.000 0.403 278 Y N 0.305 120.610 120.300 0.009 0.000 2.314 278 Y HA -0.121 4.433 4.550 0.006 0.000 0.293 278 Y C 2.102 178.017 175.900 0.025 0.000 1.129 278 Y CA 1.324 59.431 58.100 0.011 0.000 1.201 278 Y CB -0.051 38.402 38.460 -0.012 0.000 0.999 278 Y HN 0.112 nan 8.280 nan 0.000 0.541 279 L N -0.804 120.519 121.223 0.166 0.000 2.162 279 L HA -0.091 4.253 4.340 0.006 0.000 0.205 279 L C 1.532 178.473 176.870 0.119 0.000 1.086 279 L CA 0.980 55.889 54.840 0.114 0.000 0.778 279 L CB -0.245 41.861 42.059 0.079 0.000 0.928 279 L HN 0.047 nan 8.230 nan 0.000 0.446 280 D N -0.425 120.053 120.400 0.131 0.000 2.305 280 D HA -0.057 4.587 4.640 0.006 0.000 0.206 280 D C 2.012 178.409 176.300 0.161 0.000 0.974 280 D CA 0.468 54.577 54.000 0.182 0.000 0.871 280 D CB 0.268 41.174 40.800 0.175 0.000 0.947 280 D HN 0.097 nan 8.370 nan 0.000 0.516 281 L N 1.202 122.476 121.223 0.085 0.000 2.044 281 L HA 0.027 4.371 4.340 0.006 0.000 0.205 281 L C -0.966 175.922 176.870 0.030 0.000 1.075 281 L CA 1.751 56.617 54.840 0.044 0.000 0.747 281 L CB -1.161 40.904 42.059 0.011 0.000 0.903 281 L HN -0.095 nan 8.230 nan 0.000 0.435 282 P HA -0.223 nan 4.420 nan 0.000 0.216 282 P C 1.190 178.553 177.300 0.105 0.000 1.150 282 P CA 1.407 64.526 63.100 0.033 0.000 0.837 282 P CB -0.243 31.465 31.700 0.012 0.000 0.786 283 Y N 0.947 121.280 120.300 0.055 0.000 2.145 283 Y HA -0.153 4.400 4.550 0.006 0.000 0.286 283 Y C 2.361 178.303 175.900 0.071 0.000 1.145 283 Y CA 1.468 59.619 58.100 0.085 0.000 1.148 283 Y CB -1.189 37.336 38.460 0.108 0.000 0.981 283 Y HN -0.123 nan 8.280 nan 0.000 0.507 284 A N -0.407 122.327 122.820 -0.144 0.000 1.917 284 A HA -0.192 4.132 4.320 0.006 0.000 0.219 284 A C 2.367 179.839 177.584 -0.186 0.000 1.182 284 A CA 2.370 54.270 52.037 -0.228 0.000 0.633 284 A CB -1.382 17.581 19.000 -0.063 0.000 0.819 284 A HN 0.362 nan 8.150 nan 0.000 0.448 285 V N -0.433 119.427 119.914 -0.091 0.000 2.379 285 V HA -0.179 3.945 4.120 0.006 0.000 0.245 285 V C 3.028 179.095 176.094 -0.045 0.000 1.044 285 V CA 1.769 64.037 62.300 -0.053 0.000 1.036 285 V CB -1.132 30.679 31.823 -0.021 0.000 0.664 285 V HN 0.621 nan 8.190 nan 0.000 0.453 286 A N -0.223 122.574 122.820 -0.038 0.000 1.933 286 A HA -0.186 4.137 4.320 0.006 0.000 0.218 286 A C 2.157 179.749 177.584 0.014 0.000 1.175 286 A CA 2.078 54.125 52.037 0.016 0.000 0.628 286 A CB -0.474 18.576 19.000 0.083 0.000 0.814 286 A HN 0.478 nan 8.150 nan 0.000 0.444 287 L N -0.751 120.407 121.223 -0.110 0.000 2.109 287 L HA 0.017 4.361 4.340 0.006 0.000 0.207 287 L C 2.353 179.254 176.870 0.051 0.000 1.086 287 L CA 1.635 56.438 54.840 -0.062 0.000 0.760 287 L CB -0.317 41.482 42.059 -0.434 0.000 0.910 287 L HN 0.279 nan 8.230 nan 0.000 0.437 288 R N -0.477 120.000 120.500 -0.039 0.000 2.148 288 R HA -0.067 4.277 4.340 0.006 0.000 0.223 288 R C 2.048 178.384 176.300 0.059 0.000 1.088 288 R CA 1.286 57.391 56.100 0.008 0.000 0.985 288 R CB -0.126 30.151 30.300 -0.039 0.000 0.880 288 R HN 0.509 nan 8.270 nan 0.000 0.451 289 E N -0.228 120.000 120.200 0.048 0.000 2.158 289 E HA -0.143 4.210 4.350 0.006 0.000 0.191 289 E C 1.613 178.247 176.600 0.055 0.000 0.982 289 E CA 0.799 57.225 56.400 0.042 0.000 0.823 289 E CB 0.057 29.773 29.700 0.026 0.000 0.766 289 E HN 0.095 nan 8.360 nan 0.000 0.468 290 M N -0.509 119.144 119.600 0.088 0.000 2.419 290 M HA 0.025 4.508 4.480 0.006 0.000 0.264 290 M C 0.306 176.542 176.300 -0.106 0.000 1.082 290 M CA 1.260 56.565 55.300 0.009 0.000 1.119 290 M CB 0.350 32.991 32.600 0.068 0.000 1.398 290 M HN -0.058 nan 8.290 nan 0.000 0.453 291 F N 0.239 120.211 119.950 0.037 0.000 2.881 291 F HA 0.320 4.851 4.527 0.007 0.000 0.343 291 F C 0.146 176.053 175.800 0.179 0.000 1.233 291 F CA -0.810 57.265 58.000 0.124 0.000 1.262 291 F CB -0.152 38.846 39.000 -0.003 0.000 0.980 291 F HN -0.065 nan 8.300 nan 0.000 0.506 292 E N 0.297 120.614 120.200 0.196 0.000 2.502 292 E HA 0.241 4.594 4.350 0.006 0.000 0.261 292 E C 1.239 177.872 176.600 0.055 0.000 0.974 292 E CA 1.256 57.713 56.400 0.096 0.000 0.936 292 E CB 0.458 30.177 29.700 0.031 0.000 0.926 292 E HN 0.594 nan 8.360 nan 0.000 0.459 293 G N 2.417 111.204 108.800 -0.021 0.000 2.527 293 G HA2 -0.304 3.660 3.960 0.006 0.000 0.218 293 G HA3 -0.304 3.660 3.960 0.006 0.000 0.218 293 G C -0.224 174.580 174.900 -0.159 0.000 1.177 293 G CA -0.106 44.906 45.100 -0.147 0.000 0.695 293 G HN 0.501 nan 8.290 nan 0.000 0.517 294 Y N 2.573 122.889 120.300 0.027 0.000 2.357 294 Y HA 0.615 5.169 4.550 0.006 0.000 0.340 294 Y C 1.497 177.373 175.900 -0.039 0.000 1.260 294 Y CA -0.283 57.832 58.100 0.025 0.000 1.425 294 Y CB 0.453 38.981 38.460 0.114 0.000 1.326 294 Y HN 0.151 nan 8.280 nan 0.000 0.580 295 R N 1.907 122.470 120.500 0.104 0.000 2.528 295 R HA 0.414 4.758 4.340 0.006 0.000 0.271 295 R C -0.672 175.611 176.300 -0.028 0.000 1.056 295 R CA -0.554 55.537 56.100 -0.014 0.000 1.117 295 R CB 0.766 31.064 30.300 -0.003 0.000 1.085 295 R HN 0.620 nan 8.270 nan 0.000 0.530 296 M N 2.175 121.740 119.600 -0.057 0.000 2.181 296 M HA 0.319 4.803 4.480 0.006 0.000 0.323 296 M C 0.140 176.418 176.300 -0.036 0.000 1.004 296 M CA -0.572 54.676 55.300 -0.085 0.000 0.941 296 M CB 1.630 34.174 32.600 -0.093 0.000 1.579 296 M HN 0.216 nan 8.290 nan 0.000 0.427 297 R N 2.794 123.265 120.500 -0.049 0.000 2.239 297 R HA 0.646 4.990 4.340 0.006 0.000 0.332 297 R C -1.121 175.169 176.300 -0.015 0.000 0.988 297 R CA -0.052 56.041 56.100 -0.011 0.000 0.859 297 R CB 0.751 31.030 30.300 -0.035 0.000 1.148 297 R HN 0.850 nan 8.270 nan 0.000 0.482 298 A N 3.809 126.631 122.820 0.004 0.000 2.401 298 A HA 0.279 4.603 4.320 0.006 0.000 0.259 298 A C -0.320 177.262 177.584 -0.004 0.000 1.103 298 A CA -0.315 51.726 52.037 0.007 0.000 0.789 298 A CB 0.910 19.919 19.000 0.015 0.000 1.035 298 A HN 0.735 nan 8.150 nan 0.000 0.491 299 Q N 1.705 121.502 119.800 -0.005 0.000 2.413 299 Q HA 0.711 5.055 4.340 0.006 0.000 0.276 299 Q C -0.611 175.374 176.000 -0.024 0.000 1.099 299 Q CA -0.391 55.387 55.803 -0.041 0.000 0.814 299 Q CB 1.359 30.047 28.738 -0.084 0.000 1.379 299 Q HN 0.755 nan 8.270 nan 0.000 0.436 300 M N 1.317 120.873 119.600 -0.073 0.000 2.219 300 M HA 0.359 4.843 4.480 0.006 0.000 0.280 300 M C 0.126 176.441 176.300 0.024 0.000 1.189 300 M CA -0.729 54.534 55.300 -0.061 0.000 1.010 300 M CB 0.477 32.880 32.600 -0.329 0.000 1.422 300 M HN 0.771 nan 8.290 nan 0.000 0.504 301 N N 0.015 118.798 118.700 0.139 0.000 2.497 301 N HA 0.070 4.814 4.740 0.006 0.000 0.268 301 N C 0.211 175.805 175.510 0.140 0.000 1.171 301 N CA 0.309 53.454 53.050 0.158 0.000 0.948 301 N CB 0.724 39.340 38.487 0.215 0.000 1.069 301 N HN 0.693 nan 8.380 nan 0.000 0.460 302 T N 0.054 114.639 114.554 0.051 0.000 2.954 302 T HA 0.134 4.488 4.350 0.006 0.000 0.252 302 T C 1.430 176.102 174.700 -0.047 0.000 0.983 302 T CA -0.182 61.928 62.100 0.016 0.000 0.941 302 T CB -0.226 68.636 68.868 -0.011 0.000 1.141 302 T HN 0.464 nan 8.240 nan 0.000 0.500 303 K N 0.324 120.644 120.400 -0.133 0.000 2.025 303 K HA -0.006 4.318 4.320 0.006 0.000 0.207 303 K C -0.223 176.193 176.600 -0.307 0.000 1.049 303 K CA 1.020 57.113 56.287 -0.322 0.000 0.933 303 K CB -0.016 32.118 32.500 -0.610 0.000 0.714 303 K HN 0.377 nan 8.250 nan 0.000 0.438 304 Y N 0.762 121.090 120.300 0.046 0.000 2.888 304 Y HA 0.377 4.931 4.550 0.006 0.000 0.341 304 Y C -0.213 175.694 175.900 0.012 0.000 1.241 304 Y CA -0.188 57.935 58.100 0.039 0.000 1.440 304 Y CB 0.341 38.835 38.460 0.057 0.000 1.517 304 Y HN 0.047 nan 8.280 nan 0.000 0.518 305 M N 0.583 120.245 119.600 0.104 0.000 2.520 305 M HA 0.382 4.866 4.480 0.006 0.000 0.283 305 M C -1.196 175.105 176.300 0.001 0.000 1.237 305 M CA -0.304 55.013 55.300 0.029 0.000 0.885 305 M CB 2.740 35.345 32.600 0.009 0.000 1.727 305 M HN 0.278 nan 8.290 nan 0.000 0.468 306 E N 0.588 120.769 120.200 -0.031 0.000 2.475 306 E HA 0.617 4.971 4.350 0.006 0.000 0.221 306 E C -0.501 176.050 176.600 -0.082 0.000 0.793 306 E CA -0.091 56.283 56.400 -0.043 0.000 0.922 306 E CB 1.936 31.619 29.700 -0.028 0.000 1.778 306 E HN 0.765 nan 8.360 nan 0.000 0.392 307 A N 0.374 123.143 122.820 -0.085 0.000 2.307 307 A HA 0.073 4.397 4.320 0.006 0.000 0.218 307 A C 0.679 178.184 177.584 -0.132 0.000 1.228 307 A CA 0.298 52.264 52.037 -0.119 0.000 0.857 307 A CB -0.028 18.912 19.000 -0.099 0.000 0.897 307 A HN 0.137 nan 8.150 nan 0.000 0.495 308 S N 0.473 116.108 115.700 -0.109 0.000 2.430 308 S HA 0.270 4.744 4.470 0.006 0.000 0.289 308 S C 1.496 176.012 174.600 -0.140 0.000 1.143 308 S CA 0.250 58.387 58.200 -0.106 0.000 1.067 308 S CB 0.486 63.644 63.200 -0.069 0.000 0.964 308 S HN 0.589 nan 8.310 nan 0.000 0.485 309 T N 3.236 117.687 114.554 -0.173 0.000 2.833 309 T HA -0.160 4.194 4.350 0.006 0.000 0.269 309 T C 1.794 176.428 174.700 -0.110 0.000 1.054 309 T CA 0.972 62.956 62.100 -0.192 0.000 1.135 309 T CB -0.321 68.403 68.868 -0.240 0.000 0.869 309 T HN 0.677 nan 8.240 nan 0.000 0.466 310 R N 1.129 121.586 120.500 -0.072 0.000 2.073 310 R HA -0.097 4.247 4.340 0.006 0.000 0.234 310 R C 2.567 178.824 176.300 -0.070 0.000 1.134 310 R CA 1.733 57.805 56.100 -0.046 0.000 0.952 310 R CB -0.375 29.909 30.300 -0.027 0.000 0.850 310 R HN 0.629 nan 8.270 nan 0.000 0.433 311 E N -0.218 119.932 120.200 -0.082 0.000 2.058 311 E HA -0.205 4.149 4.350 0.006 0.000 0.194 311 E C 1.800 178.308 176.600 -0.152 0.000 0.997 311 E CA 1.298 57.644 56.400 -0.090 0.000 0.801 311 E CB -0.086 29.570 29.700 -0.074 0.000 0.746 311 E HN 0.480 nan 8.360 nan 0.000 0.450 312 A N 0.251 122.944 122.820 -0.211 0.000 1.877 312 A HA -0.175 4.149 4.320 0.006 0.000 0.216 312 A C 2.401 179.615 177.584 -0.615 0.000 1.186 312 A CA 2.081 53.871 52.037 -0.411 0.000 0.620 312 A CB -1.020 17.783 19.000 -0.327 0.000 0.822 312 A HN 0.300 nan 8.150 nan 0.000 0.443 313 T N -0.345 114.040 114.554 -0.282 0.000 2.720 313 T HA -0.135 4.219 4.350 0.006 0.000 0.268 313 T C 1.860 176.515 174.700 -0.075 0.000 1.037 313 T CA 1.651 63.688 62.100 -0.104 0.000 1.144 313 T CB -0.400 68.468 68.868 0.001 0.000 0.864 313 T HN 0.151 nan 8.240 nan 0.000 0.444 314 V N 1.232 121.094 119.914 -0.087 0.000 2.358 314 V HA -0.161 3.963 4.120 0.006 0.000 0.246 314 V C 2.771 178.850 176.094 -0.024 0.000 1.047 314 V CA 1.928 64.209 62.300 -0.033 0.000 1.035 314 V CB -0.992 30.814 31.823 -0.030 0.000 0.658 314 V HN 0.503 nan 8.190 nan 0.000 0.452 315 T N -1.264 113.243 114.554 -0.079 0.000 2.833 315 T HA -0.202 4.152 4.350 0.006 0.000 0.269 315 T C 1.631 176.382 174.700 0.084 0.000 1.054 315 T CA 1.725 63.811 62.100 -0.023 0.000 1.135 315 T CB -0.353 68.484 68.868 -0.051 0.000 0.869 315 T HN 0.673 nan 8.240 nan 0.000 0.466 316 H N -0.211 118.879 119.070 0.032 0.000 2.363 316 H HA 0.015 4.575 4.556 0.006 0.000 0.301 316 H C 2.378 177.728 175.328 0.037 0.000 1.074 316 H CA 0.793 56.861 56.048 0.034 0.000 1.354 316 H CB -0.003 29.777 29.762 0.029 0.000 1.397 316 H HN 0.124 nan 8.280 nan 0.000 0.516 317 V N 1.351 121.359 119.914 0.157 0.000 2.392 317 V HA -0.262 3.862 4.120 0.006 0.000 0.249 317 V C 2.378 178.521 176.094 0.082 0.000 1.059 317 V CA 1.515 63.874 62.300 0.098 0.000 1.051 317 V CB -0.508 31.357 31.823 0.070 0.000 0.658 317 V HN 0.366 nan 8.190 nan 0.000 0.455 318 L N -0.062 121.209 121.223 0.079 0.000 2.083 318 L HA -0.180 4.164 4.340 0.006 0.000 0.209 318 L C 2.244 179.163 176.870 0.083 0.000 1.083 318 L CA 1.890 56.772 54.840 0.071 0.000 0.752 318 L CB -0.824 41.273 42.059 0.063 0.000 0.899 318 L HN 0.450 nan 8.230 nan 0.000 0.433 319 N N 0.137 118.901 118.700 0.107 0.000 2.084 319 N HA -0.172 4.571 4.740 0.006 0.000 0.190 319 N C 1.925 177.479 175.510 0.073 0.000 1.030 319 N CA 0.898 54.009 53.050 0.101 0.000 0.849 319 N CB -0.164 38.394 38.487 0.118 0.000 1.012 319 N HN 0.206 nan 8.380 nan 0.000 0.423 320 L N 0.491 121.758 121.223 0.072 0.000 2.127 320 L HA -0.152 4.192 4.340 0.006 0.000 0.211 320 L C 2.235 179.133 176.870 0.047 0.000 1.089 320 L CA 0.509 55.382 54.840 0.054 0.000 0.757 320 L CB -0.317 41.776 42.059 0.057 0.000 0.899 320 L HN 0.251 nan 8.230 nan 0.000 0.434 321 L N -0.221 121.032 121.223 0.050 0.000 2.046 321 L HA -0.205 4.139 4.340 0.006 0.000 0.208 321 L C 2.371 179.264 176.870 0.038 0.000 1.077 321 L CA 1.729 56.593 54.840 0.041 0.000 0.747 321 L CB -0.457 41.628 42.059 0.042 0.000 0.896 321 L HN 0.090 nan 8.230 nan 0.000 0.432 322 I N -0.900 119.698 120.570 0.047 0.000 2.264 322 I HA -0.265 3.909 4.170 0.006 0.000 0.248 322 I C 2.441 178.575 176.117 0.028 0.000 1.111 322 I CA 1.358 62.684 61.300 0.043 0.000 1.382 322 I CB -1.348 36.688 38.000 0.060 0.000 1.060 322 I HN 0.270 nan 8.210 nan 0.000 0.418 323 S N 0.521 116.239 115.700 0.029 0.000 2.368 323 S HA -0.182 4.292 4.470 0.006 0.000 0.224 323 S C 1.986 176.594 174.600 0.013 0.000 1.029 323 S CA 1.276 59.487 58.200 0.018 0.000 0.988 323 S CB -0.106 63.108 63.200 0.024 0.000 0.838 323 S HN 0.269 nan 8.310 nan 0.000 0.462 324 K N 1.617 122.028 120.400 0.019 0.000 2.057 324 K HA 0.093 4.417 4.320 0.006 0.000 0.207 324 K C 1.730 178.335 176.600 0.009 0.000 1.049 324 K CA 1.108 57.404 56.287 0.015 0.000 0.931 324 K CB -0.474 32.036 32.500 0.018 0.000 0.714 324 K HN 0.281 nan 8.250 nan 0.000 0.440 325 L N 0.120 121.350 121.223 0.011 0.000 2.291 325 L HA -0.094 4.250 4.340 0.006 0.000 0.214 325 L C 1.875 178.744 176.870 -0.001 0.000 1.120 325 L CA 1.362 56.205 54.840 0.007 0.000 0.799 325 L CB -0.511 41.555 42.059 0.011 0.000 0.925 325 L HN 0.479 nan 8.230 nan 0.000 0.446 326 T N -3.030 111.521 114.554 -0.005 0.000 2.709 326 T HA 0.272 4.626 4.350 0.006 0.000 0.174 326 T C 0.363 175.052 174.700 -0.019 0.000 0.774 326 T CA -0.527 61.564 62.100 -0.016 0.000 1.309 326 T CB 0.683 69.536 68.868 -0.026 0.000 2.586 326 T HN 0.044 nan 8.240 nan 0.000 0.401 327 R N 0.068 120.553 120.500 -0.026 0.000 2.594 327 R HA 0.642 4.986 4.340 0.006 0.000 0.265 327 R C -2.335 173.949 176.300 -0.027 0.000 1.070 327 R CA -0.416 55.667 56.100 -0.028 0.000 0.909 327 R CB 1.923 32.199 30.300 -0.040 0.000 1.243 327 R HN 0.884 nan 8.270 nan 0.000 0.455 328 A N 3.120 125.931 122.820 -0.016 0.000 2.446 328 A HA 0.307 4.631 4.320 0.006 0.000 0.282 328 A C -0.614 176.979 177.584 0.015 0.000 1.102 328 A CA -0.709 51.329 52.037 0.001 0.000 0.737 328 A CB 1.309 20.322 19.000 0.021 0.000 1.212 328 A HN 0.880 nan 8.150 nan 0.000 0.434 329 D N 1.478 121.884 120.400 0.011 0.000 2.183 329 D HA 0.087 4.731 4.640 0.006 0.000 0.205 329 D C 0.321 176.781 176.300 0.266 0.000 0.962 329 D CA 1.447 55.466 54.000 0.032 0.000 0.849 329 D CB 0.434 41.153 40.800 -0.134 0.000 0.978 329 D HN 0.595 nan 8.370 nan 0.000 0.488 330 I N 0.966 121.678 120.570 0.236 0.000 2.465 330 I HA 0.168 4.342 4.170 0.006 0.000 0.291 330 I C -0.508 175.696 176.117 0.144 0.000 1.014 330 I CA -0.749 60.705 61.300 0.257 0.000 1.093 330 I CB 2.179 40.326 38.000 0.244 0.000 1.267 330 I HN -0.298 nan 8.210 nan 0.000 0.431 331 Q N 4.816 124.698 119.800 0.137 0.000 2.413 331 Q HA 0.394 4.738 4.340 0.006 0.000 0.258 331 Q C -1.086 174.952 176.000 0.063 0.000 1.037 331 Q CA -0.237 55.612 55.803 0.077 0.000 0.764 331 Q CB 1.441 30.217 28.738 0.064 0.000 1.217 331 Q HN 0.662 nan 8.270 nan 0.000 0.490 332 S N 1.779 117.493 115.700 0.022 0.000 2.632 332 S HA 0.681 5.155 4.470 0.006 0.000 0.267 332 S C -0.194 174.367 174.600 -0.066 0.000 1.276 332 S CA -0.189 57.994 58.200 -0.028 0.000 0.998 332 S CB 0.921 64.074 63.200 -0.079 0.000 0.953 332 S HN 0.766 nan 8.310 nan 0.000 0.547 333 T N -0.796 113.704 114.554 -0.089 0.000 2.916 333 T HA 0.721 5.075 4.350 0.006 0.000 0.292 333 T C -0.873 173.734 174.700 -0.155 0.000 1.055 333 T CA -0.806 61.214 62.100 -0.134 0.000 1.009 333 T CB 0.732 69.557 68.868 -0.071 0.000 1.118 333 T HN 0.295 nan 8.240 nan 0.000 0.497 334 I N 2.825 123.247 120.570 -0.248 0.000 2.465 334 I HA 0.341 4.515 4.170 0.006 0.000 0.291 334 I C 0.928 177.018 176.117 -0.045 0.000 1.014 334 I CA -0.485 60.724 61.300 -0.152 0.000 1.093 334 I CB 1.937 39.840 38.000 -0.161 0.000 1.267 334 I HN 1.069 nan 8.210 nan 0.000 0.431 335 T N 3.786 118.351 114.554 0.020 0.000 2.901 335 T HA 0.264 4.618 4.350 0.006 0.000 0.301 335 T C -1.611 173.125 174.700 0.060 0.000 1.012 335 T CA -1.238 60.905 62.100 0.071 0.000 1.135 335 T CB 1.107 70.024 68.868 0.083 0.000 0.936 335 T HN 0.470 nan 8.240 nan 0.000 0.539 336 P HA 0.019 nan 4.420 nan 0.000 0.241 336 P C 0.560 177.679 177.300 -0.300 0.000 1.191 336 P CA 0.514 63.586 63.100 -0.047 0.000 0.771 336 P CB 0.103 31.787 31.700 -0.027 0.000 0.929 337 D N -0.808 119.296 120.400 -0.493 0.000 2.340 337 D HA -0.086 4.558 4.640 0.006 0.000 0.220 337 D C 1.587 177.681 176.300 -0.342 0.000 1.039 337 D CA 0.049 53.682 54.000 -0.612 0.000 0.866 337 D CB -0.679 39.531 40.800 -0.983 0.000 0.913 337 D HN 0.054 nan 8.370 nan 0.000 0.523 338 E N 0.975 121.060 120.200 -0.193 0.000 2.187 338 E HA -0.162 4.192 4.350 0.006 0.000 0.199 338 E C 1.793 178.320 176.600 -0.123 0.000 1.004 338 E CA 1.493 57.822 56.400 -0.119 0.000 0.813 338 E CB -0.342 29.328 29.700 -0.049 0.000 0.736 338 E HN 0.520 nan 8.360 nan 0.000 0.468 339 G N -0.185 108.535 108.800 -0.133 0.000 2.813 339 G HA2 -0.132 3.832 3.960 0.006 0.000 0.209 339 G HA3 -0.132 3.832 3.960 0.006 0.000 0.209 339 G C 1.578 176.401 174.900 -0.128 0.000 1.150 339 G CA 0.219 45.255 45.100 -0.108 0.000 0.785 339 G HN 0.120 nan 8.290 nan 0.000 0.535 340 R N -0.125 120.263 120.500 -0.186 0.000 2.167 340 R HA 0.152 4.495 4.340 0.006 0.000 0.195 340 R C 0.412 176.589 176.300 -0.205 0.000 1.027 340 R CA 0.511 56.486 56.100 -0.208 0.000 1.114 340 R CB 0.275 30.390 30.300 -0.310 0.000 1.075 340 R HN 0.461 nan 8.270 nan 0.000 0.538 341 N N -1.129 117.418 118.700 -0.254 0.000 2.972 341 N HA 0.113 4.856 4.740 0.006 0.000 0.262 341 N C -1.066 174.353 175.510 -0.152 0.000 1.478 341 N CA -0.674 52.259 53.050 -0.194 0.000 0.841 341 N CB 1.628 39.966 38.487 -0.249 0.000 1.512 341 N HN -0.210 nan 8.380 nan 0.000 0.548 342 V N 1.078 120.953 119.914 -0.065 0.000 2.572 342 V HA 0.225 4.348 4.120 0.006 0.000 0.291 342 V C -1.992 174.113 176.094 0.018 0.000 1.039 342 V CA -0.829 61.455 62.300 -0.027 0.000 1.055 342 V CB 0.267 32.078 31.823 -0.020 0.000 0.969 342 V HN 0.602 nan 8.190 nan 0.000 0.482 343 P HA 0.021 nan 4.420 nan 0.000 0.266 343 P C -0.874 176.586 177.300 0.268 0.000 1.195 343 P CA 0.027 63.171 63.100 0.074 0.000 0.768 343 P CB 0.311 32.055 31.700 0.074 0.000 0.838 344 W N 2.429 123.765 121.300 0.060 0.000 2.512 344 W HA 0.206 4.871 4.660 0.009 0.000 0.335 344 W C 1.743 178.245 176.519 -0.030 0.000 1.088 344 W CA -0.347 56.962 57.345 -0.060 0.000 1.236 344 W CB -0.530 28.915 29.460 -0.026 0.000 1.307 344 W HN 0.560 nan 8.180 nan 0.000 0.567 345 H N 1.921 121.084 119.070 0.155 0.000 2.278 345 H HA -0.266 4.294 4.556 0.006 0.000 0.287 345 H C 1.953 177.279 175.328 -0.004 0.000 1.107 345 H CA 2.888 58.963 56.048 0.045 0.000 1.192 345 H CB -1.038 28.713 29.762 -0.018 0.000 1.346 345 H HN 0.551 nan 8.280 nan 0.000 0.478 346 I N -2.231 118.380 120.570 0.068 0.000 2.493 346 I HA -0.198 3.976 4.170 0.006 0.000 0.254 346 I C 1.715 177.690 176.117 -0.236 0.000 1.160 346 I CA 1.469 62.683 61.300 -0.143 0.000 1.445 346 I CB -0.558 37.296 38.000 -0.243 0.000 1.086 346 I HN -0.046 nan 8.210 nan 0.000 0.433 347 Y N 1.667 122.033 120.300 0.111 0.000 2.519 347 Y HA 0.046 4.600 4.550 0.006 0.000 0.287 347 Y C 2.155 178.076 175.900 0.036 0.000 1.128 347 Y CA 0.714 58.840 58.100 0.044 0.000 1.282 347 Y CB -0.891 37.558 38.460 -0.018 0.000 1.027 347 Y HN 0.253 nan 8.280 nan 0.000 0.551 348 N N -0.164 118.624 118.700 0.145 0.000 2.142 348 N HA -0.135 4.609 4.740 0.006 0.000 0.186 348 N C 1.447 176.979 175.510 0.036 0.000 1.023 348 N CA 1.203 54.309 53.050 0.094 0.000 0.852 348 N CB -0.217 38.330 38.487 0.099 0.000 0.998 348 N HN 0.059 nan 8.380 nan 0.000 0.424 349 I N 1.677 122.222 120.570 -0.042 0.000 2.179 349 I HA -0.193 3.980 4.170 0.006 0.000 0.242 349 I C 2.027 178.103 176.117 -0.068 0.000 1.088 349 I CA 1.149 62.335 61.300 -0.190 0.000 1.357 349 I CB -0.685 37.046 38.000 -0.447 0.000 1.051 349 I HN 0.193 nan 8.210 nan 0.000 0.409 350 E N 0.543 120.743 120.200 0.001 0.000 2.065 350 E HA -0.318 4.035 4.350 0.006 0.000 0.201 350 E C 2.304 178.971 176.600 0.112 0.000 1.016 350 E CA 1.773 58.228 56.400 0.091 0.000 0.818 350 E CB -0.415 29.399 29.700 0.191 0.000 0.749 350 E HN 0.527 nan 8.360 nan 0.000 0.453 351 A N 1.107 123.995 122.820 0.113 0.000 1.892 351 A HA -0.236 4.088 4.320 0.006 0.000 0.218 351 A C 2.583 180.213 177.584 0.076 0.000 1.188 351 A CA 1.692 53.783 52.037 0.091 0.000 0.631 351 A CB -1.003 18.032 19.000 0.059 0.000 0.822 351 A HN 0.383 nan 8.150 nan 0.000 0.447 352 C N -0.631 118.716 119.300 0.078 0.000 2.432 352 C HA -0.088 4.376 4.460 0.006 0.000 0.277 352 C C 2.416 177.478 174.990 0.119 0.000 1.249 352 C CA 1.039 60.116 59.018 0.098 0.000 1.725 352 C CB -1.291 26.524 27.740 0.126 0.000 2.028 352 C HN 0.620 nan 8.230 nan 0.000 0.477 353 D N 0.499 120.985 120.400 0.143 0.000 2.104 353 D HA -0.104 4.540 4.640 0.006 0.000 0.194 353 D C 2.235 178.604 176.300 0.115 0.000 0.994 353 D CA 1.711 55.804 54.000 0.155 0.000 0.830 353 D CB -0.731 40.173 40.800 0.173 0.000 0.959 353 D HN 0.410 nan 8.370 nan 0.000 0.452 354 T N 0.564 115.184 114.554 0.109 0.000 2.674 354 T HA -0.127 4.227 4.350 0.006 0.000 0.265 354 T C 2.010 176.761 174.700 0.086 0.000 1.039 354 T CA 1.666 63.828 62.100 0.103 0.000 1.150 354 T CB -0.440 68.501 68.868 0.121 0.000 0.864 354 T HN 0.202 nan 8.240 nan 0.000 0.427 355 A N 1.483 124.348 122.820 0.075 0.000 1.917 355 A HA -0.212 4.112 4.320 0.006 0.000 0.219 355 A C 2.215 179.834 177.584 0.058 0.000 1.182 355 A CA 2.253 54.325 52.037 0.059 0.000 0.633 355 A CB -0.573 18.456 19.000 0.048 0.000 0.819 355 A HN 0.503 nan 8.150 nan 0.000 0.448 356 K N -0.879 119.560 120.400 0.064 0.000 2.031 356 K HA -0.168 4.156 4.320 0.006 0.000 0.205 356 K C 2.369 178.997 176.600 0.047 0.000 1.049 356 K CA 1.440 57.758 56.287 0.051 0.000 0.939 356 K CB -0.209 32.324 32.500 0.055 0.000 0.717 356 K HN 0.629 nan 8.250 nan 0.000 0.438 357 Q N -0.037 119.800 119.800 0.062 0.000 2.030 357 Q HA -0.186 4.157 4.340 0.006 0.000 0.204 357 Q C 1.924 177.955 176.000 0.051 0.000 0.986 357 Q CA 1.777 57.616 55.803 0.061 0.000 0.843 357 Q CB -0.200 28.585 28.738 0.078 0.000 0.904 357 Q HN 0.427 nan 8.270 nan 0.000 0.420 358 A N 0.560 123.412 122.820 0.055 0.000 1.902 358 A HA -0.158 4.166 4.320 0.006 0.000 0.217 358 A C 2.045 179.653 177.584 0.039 0.000 1.181 358 A CA 1.249 53.315 52.037 0.048 0.000 0.623 358 A CB -0.677 18.357 19.000 0.056 0.000 0.818 358 A HN 0.441 nan 8.150 nan 0.000 0.443 359 L N -0.492 120.754 121.223 0.039 0.000 2.072 359 L HA -0.130 4.214 4.340 0.006 0.000 0.205 359 L C 2.374 179.264 176.870 0.033 0.000 1.079 359 L CA 0.570 55.431 54.840 0.034 0.000 0.752 359 L CB -0.441 41.639 42.059 0.035 0.000 0.906 359 L HN 0.279 nan 8.230 nan 0.000 0.436 360 I N 0.456 121.046 120.570 0.032 0.000 2.226 360 I HA -0.178 3.996 4.170 0.006 0.000 0.245 360 I C 2.712 178.851 176.117 0.036 0.000 1.100 360 I CA 1.623 62.951 61.300 0.046 0.000 1.374 360 I CB -2.002 36.015 38.000 0.027 0.000 1.057 360 I HN 0.229 nan 8.210 nan 0.000 0.413 361 G N 0.896 109.705 108.800 0.016 0.000 2.505 361 G HA2 -0.280 3.684 3.960 0.006 0.000 0.220 361 G HA3 -0.280 3.684 3.960 0.006 0.000 0.220 361 G C 1.479 176.372 174.900 -0.012 0.000 1.145 361 G CA 0.765 45.861 45.100 -0.006 0.000 0.761 361 G HN 0.405 nan 8.290 nan 0.000 0.571 362 M N 1.045 120.648 119.600 0.006 0.000 2.493 362 M HA 0.196 4.679 4.480 0.006 0.000 0.244 362 M C 0.121 176.424 176.300 0.004 0.000 1.182 362 M CA -0.211 55.090 55.300 0.002 0.000 0.981 362 M CB 0.483 33.090 32.600 0.012 0.000 1.551 362 M HN 0.022 nan 8.290 nan 0.000 0.476 363 D N 1.671 122.079 120.400 0.013 0.000 2.502 363 D HA -0.015 4.629 4.640 0.006 0.000 0.249 363 D C 1.090 177.385 176.300 -0.008 0.000 1.188 363 D CA 1.576 55.595 54.000 0.032 0.000 0.890 363 D CB 0.642 41.505 40.800 0.104 0.000 1.140 363 D HN 0.681 nan 8.370 nan 0.000 0.505 364 G N 3.600 112.402 108.800 0.003 0.000 2.148 364 G HA2 -0.324 3.640 3.960 0.006 0.000 0.254 364 G HA3 -0.324 3.640 3.960 0.006 0.000 0.254 364 G C 0.971 175.862 174.900 -0.014 0.000 0.981 364 G CA 0.410 45.504 45.100 -0.010 0.000 0.670 364 G HN 0.555 nan 8.290 nan 0.000 0.528 365 L N 0.178 121.396 121.223 -0.009 0.000 2.012 365 L HA 0.061 4.405 4.340 0.006 0.000 0.210 365 L C 2.605 179.472 176.870 -0.006 0.000 1.073 365 L CA 2.839 57.674 54.840 -0.009 0.000 0.748 365 L CB -0.371 41.686 42.059 -0.003 0.000 0.891 365 L HN 0.342 nan 8.230 nan 0.000 0.431 366 M N -0.981 118.617 119.600 -0.003 0.000 2.659 366 M HA -0.034 4.450 4.480 0.006 0.000 0.243 366 M C 1.121 177.418 176.300 -0.005 0.000 1.111 366 M CA 0.524 55.822 55.300 -0.003 0.000 1.070 366 M CB -1.303 31.295 32.600 -0.003 0.000 1.525 366 M HN 0.199 nan 8.290 nan 0.000 0.517 367 D N -0.021 120.375 120.400 -0.007 0.000 2.317 367 D HA 0.053 4.697 4.640 0.006 0.000 0.211 367 D C 1.759 178.054 176.300 -0.009 0.000 0.966 367 D CA 0.855 54.850 54.000 -0.008 0.000 0.876 367 D CB 0.220 41.014 40.800 -0.011 0.000 0.927 367 D HN 0.367 nan 8.370 nan 0.000 0.519 368 M N -0.745 118.850 119.600 -0.009 0.000 2.338 368 M HA 0.133 4.616 4.480 0.006 0.000 0.276 368 M C -0.187 176.110 176.300 -0.005 0.000 1.057 368 M CA 0.189 55.484 55.300 -0.008 0.000 1.079 368 M CB 2.203 34.796 32.600 -0.013 0.000 1.547 368 M HN -0.319 nan 8.290 nan 0.000 0.549 369 V N 0.994 120.906 119.914 -0.003 0.000 2.962 369 V HA 0.494 4.617 4.120 0.006 0.000 0.313 369 V C -0.885 175.210 176.094 0.000 0.000 1.099 369 V CA -0.656 61.644 62.300 0.000 0.000 0.971 369 V CB 2.259 34.083 31.823 0.002 0.000 1.028 369 V HN 0.349 nan 8.190 nan 0.000 0.430 370 Q N 2.833 122.634 119.800 0.002 0.000 2.590 370 Q HA 0.639 4.983 4.340 0.006 0.000 0.295 370 Q C -1.912 174.090 176.000 0.003 0.000 0.973 370 Q CA -0.980 54.824 55.803 0.001 0.000 0.768 370 Q CB 2.214 30.952 28.738 0.000 0.000 1.479 370 Q HN 0.563 nan 8.270 nan 0.000 0.419 371 L N 1.620 122.843 121.223 0.001 0.000 2.380 371 L HA 0.312 4.656 4.340 0.006 0.000 0.273 371 L C 0.300 177.171 176.870 0.001 0.000 1.138 371 L CA -0.308 54.532 54.840 0.000 0.000 0.832 371 L CB 0.554 42.611 42.059 -0.004 0.000 1.124 371 L HN 0.653 nan 8.230 nan 0.000 0.454 372 K N 2.613 123.014 120.400 0.002 0.000 2.111 372 K HA 0.011 4.335 4.320 0.006 0.000 0.249 372 K C 1.045 177.645 176.600 -0.000 0.000 1.157 372 K CA -0.269 56.020 56.287 0.004 0.000 1.048 372 K CB 0.160 32.666 32.500 0.010 0.000 1.498 372 K HN 0.325 nan 8.250 nan 0.000 0.344 373 R N 1.523 122.023 120.500 0.000 0.000 2.189 373 R HA -0.036 4.308 4.340 0.006 0.000 0.223 373 R C -0.307 175.994 176.300 0.002 0.000 1.092 373 R CA 1.238 57.337 56.100 -0.001 0.000 0.989 373 R CB 0.272 30.572 30.300 0.000 0.000 0.876 373 R HN 0.420 nan 8.270 nan 0.000 0.457 374 E N -0.071 120.131 120.200 0.004 0.000 2.129 374 E HA 0.524 4.878 4.350 0.006 0.000 0.268 374 E C -0.069 176.537 176.600 0.009 0.000 0.900 374 E CA 0.025 56.429 56.400 0.007 0.000 0.755 374 E CB 1.373 31.078 29.700 0.008 0.000 1.117 374 E HN 0.370 nan 8.360 nan 0.000 0.410 375 G N 0.407 109.213 108.800 0.010 0.000 2.332 375 G HA2 -0.151 3.813 3.960 0.006 0.000 0.265 375 G HA3 -0.151 3.813 3.960 0.006 0.000 0.265 375 G C 0.292 175.198 174.900 0.010 0.000 1.329 375 G CA -0.287 44.821 45.100 0.014 0.000 0.949 375 G HN 0.307 nan 8.290 nan 0.000 0.476 376 V N 0.202 120.124 119.914 0.013 0.000 2.469 376 V HA -0.079 4.045 4.120 0.006 0.000 0.251 376 V C 2.760 178.824 176.094 -0.049 0.000 1.064 376 V CA 3.163 65.463 62.300 -0.000 0.000 1.066 376 V CB -0.445 31.395 31.823 0.028 0.000 0.667 376 V HN 0.889 nan 8.190 nan 0.000 0.461 377 L N 1.130 122.315 121.223 -0.064 0.000 1.976 377 L HA 0.050 4.394 4.340 0.006 0.000 0.209 377 L C 2.479 179.334 176.870 -0.026 0.000 1.071 377 L CA 2.692 57.489 54.840 -0.070 0.000 0.746 377 L CB -1.462 40.564 42.059 -0.055 0.000 0.890 377 L HN 0.315 nan 8.230 nan 0.000 0.432 378 G N -1.159 107.636 108.800 -0.009 0.000 2.469 378 G HA2 -0.304 3.659 3.960 0.006 0.000 0.219 378 G HA3 -0.304 3.659 3.960 0.006 0.000 0.219 378 G C 1.216 176.126 174.900 0.016 0.000 1.150 378 G CA 1.098 46.202 45.100 0.006 0.000 0.763 378 G HN 0.476 nan 8.290 nan 0.000 0.561 379 D N -0.171 120.239 120.400 0.017 0.000 2.162 379 D HA -0.009 4.635 4.640 0.006 0.000 0.203 379 D C 2.728 179.052 176.300 0.040 0.000 0.967 379 D CA 1.193 55.210 54.000 0.029 0.000 0.840 379 D CB -0.561 40.257 40.800 0.030 0.000 0.972 379 D HN 0.213 nan 8.370 nan 0.000 0.482 380 T N 0.673 115.246 114.554 0.031 0.000 2.737 380 T HA -0.084 4.270 4.350 0.006 0.000 0.265 380 T C 2.280 177.024 174.700 0.074 0.000 1.038 380 T CA 0.700 62.830 62.100 0.051 0.000 1.144 380 T CB -0.353 68.522 68.868 0.010 0.000 0.866 380 T HN -0.053 nan 8.240 nan 0.000 0.434 381 V N 1.856 121.802 119.914 0.054 0.000 2.252 381 V HA -0.233 3.891 4.120 0.006 0.000 0.249 381 V C 2.696 178.837 176.094 0.078 0.000 1.056 381 V CA 1.915 64.256 62.300 0.068 0.000 1.022 381 V CB -0.595 31.252 31.823 0.041 0.000 0.641 381 V HN 0.262 nan 8.190 nan 0.000 0.445 382 R N 0.514 121.050 120.500 0.060 0.000 2.103 382 R HA -0.220 4.124 4.340 0.006 0.000 0.242 382 R C 2.266 178.610 176.300 0.073 0.000 1.142 382 R CA 2.313 58.448 56.100 0.058 0.000 0.960 382 R CB -0.788 29.538 30.300 0.044 0.000 0.858 382 R HN 0.686 nan 8.270 nan 0.000 0.439 383 E N -0.250 119.999 120.200 0.081 0.000 2.077 383 E HA -0.174 4.180 4.350 0.006 0.000 0.193 383 E C 1.972 178.642 176.600 0.116 0.000 0.989 383 E CA 1.451 57.904 56.400 0.089 0.000 0.800 383 E CB -0.119 29.641 29.700 0.100 0.000 0.746 383 E HN 0.403 nan 8.360 nan 0.000 0.452 384 L N 0.531 121.845 121.223 0.152 0.000 2.046 384 L HA -0.187 4.157 4.340 0.006 0.000 0.208 384 L C 2.670 179.647 176.870 0.179 0.000 1.077 384 L CA 1.299 56.260 54.840 0.201 0.000 0.747 384 L CB -0.355 41.857 42.059 0.255 0.000 0.896 384 L HN 0.063 nan 8.230 nan 0.000 0.432 385 K N 0.049 120.535 120.400 0.143 0.000 2.063 385 K HA -0.210 4.114 4.320 0.006 0.000 0.208 385 K C 2.026 178.690 176.600 0.107 0.000 1.048 385 K CA 1.553 57.912 56.287 0.119 0.000 0.928 385 K CB -0.115 32.436 32.500 0.086 0.000 0.713 385 K HN 0.359 nan 8.250 nan 0.000 0.442 386 E N 0.346 120.603 120.200 0.095 0.000 2.077 386 E HA -0.170 4.184 4.350 0.006 0.000 0.193 386 E C 2.126 178.790 176.600 0.107 0.000 0.989 386 E CA 0.993 57.443 56.400 0.083 0.000 0.800 386 E CB 0.032 29.769 29.700 0.061 0.000 0.746 386 E HN 0.229 nan 8.360 nan 0.000 0.452 387 R N 0.420 120.992 120.500 0.121 0.000 2.081 387 R HA -0.116 4.227 4.340 0.006 0.000 0.235 387 R C 2.373 178.816 176.300 0.239 0.000 1.131 387 R CA 1.125 57.330 56.100 0.174 0.000 0.960 387 R CB -0.301 30.067 30.300 0.113 0.000 0.856 387 R HN 0.100 nan 8.270 nan 0.000 0.436 388 A N 0.702 123.634 122.820 0.187 0.000 1.877 388 A HA -0.123 4.201 4.320 0.006 0.000 0.216 388 A C 2.365 180.024 177.584 0.125 0.000 1.186 388 A CA 1.466 53.596 52.037 0.154 0.000 0.620 388 A CB -0.602 18.488 19.000 0.150 0.000 0.822 388 A HN 0.118 nan 8.150 nan 0.000 0.443 389 V N 0.225 120.206 119.914 0.111 0.000 2.332 389 V HA -0.278 3.846 4.120 0.006 0.000 0.248 389 V C 2.574 178.736 176.094 0.113 0.000 1.055 389 V CA 1.977 64.332 62.300 0.091 0.000 1.038 389 V CB -0.848 31.018 31.823 0.070 0.000 0.651 389 V HN 0.568 nan 8.190 nan 0.000 0.450 390 L N -1.302 120.010 121.223 0.148 0.000 2.042 390 L HA -0.235 4.109 4.340 0.006 0.000 0.210 390 L C 2.348 179.331 176.870 0.189 0.000 1.076 390 L CA 2.015 56.972 54.840 0.195 0.000 0.749 390 L CB -0.633 41.583 42.059 0.262 0.000 0.893 390 L HN 0.287 nan 8.230 nan 0.000 0.432 391 F N -0.277 119.569 119.950 -0.173 0.000 2.069 391 F HA -0.338 4.192 4.527 0.006 0.000 0.298 391 F C 2.689 178.362 175.800 -0.211 0.000 1.113 391 F CA 1.255 58.860 58.000 -0.658 0.000 1.214 391 F CB 0.052 38.565 39.000 -0.813 0.000 0.978 391 F HN -0.008 nan 8.300 nan 0.000 0.474 392 M N 0.203 119.921 119.600 0.196 0.000 2.073 392 M HA -0.275 4.209 4.480 0.006 0.000 0.258 392 M C 2.041 178.429 176.300 0.146 0.000 1.070 392 M CA 1.795 57.189 55.300 0.156 0.000 1.103 392 M CB -1.490 31.166 32.600 0.095 0.000 1.321 392 M HN 0.237 nan 8.290 nan 0.000 0.405 393 E N -0.180 120.091 120.200 0.118 0.000 2.114 393 E HA -0.250 4.104 4.350 0.006 0.000 0.199 393 E C 1.994 178.665 176.600 0.118 0.000 1.008 393 E CA 1.459 57.919 56.400 0.100 0.000 0.810 393 E CB -0.156 29.594 29.700 0.084 0.000 0.739 393 E HN 0.542 nan 8.360 nan 0.000 0.456 394 E N 0.229 120.515 120.200 0.143 0.000 2.216 394 E HA -0.120 4.234 4.350 0.006 0.000 0.192 394 E C 2.066 178.856 176.600 0.317 0.000 0.988 394 E CA 0.234 56.740 56.400 0.178 0.000 0.834 394 E CB 0.141 29.894 29.700 0.089 0.000 0.772 394 E HN 0.251 nan 8.360 nan 0.000 0.479 395 I N 0.930 121.691 120.570 0.319 0.000 2.179 395 I HA -0.301 3.873 4.170 0.006 0.000 0.242 395 I C 2.345 178.546 176.117 0.140 0.000 1.088 395 I CA 1.102 62.567 61.300 0.275 0.000 1.357 395 I CB -0.329 37.834 38.000 0.272 0.000 1.051 395 I HN 0.205 nan 8.210 nan 0.000 0.409 396 I N 0.667 121.310 120.570 0.121 0.000 2.179 396 I HA -0.306 3.868 4.170 0.006 0.000 0.242 396 I C 2.678 178.834 176.117 0.065 0.000 1.088 396 I CA 1.491 62.835 61.300 0.074 0.000 1.357 396 I CB -0.506 37.533 38.000 0.065 0.000 1.051 396 I HN 0.326 nan 8.210 nan 0.000 0.409 397 E N 1.653 121.903 120.200 0.083 0.000 2.160 397 E HA -0.253 4.100 4.350 0.006 0.000 0.195 397 E C 2.073 178.715 176.600 0.071 0.000 0.991 397 E CA 1.443 57.887 56.400 0.072 0.000 0.810 397 E CB 0.004 29.751 29.700 0.079 0.000 0.742 397 E HN 0.502 nan 8.360 nan 0.000 0.466 398 A N -0.093 122.781 122.820 0.090 0.000 2.167 398 A HA 0.210 4.534 4.320 0.006 0.000 0.214 398 A C 1.691 179.270 177.584 -0.008 0.000 1.151 398 A CA 1.046 53.110 52.037 0.045 0.000 0.735 398 A CB -0.092 18.912 19.000 0.006 0.000 0.802 398 A HN 0.515 nan 8.150 nan 0.000 0.467 399 G N -3.185 105.618 108.800 0.004 0.000 2.164 399 G HA2 0.408 4.372 3.960 0.006 0.000 0.154 399 G HA3 0.408 4.372 3.960 0.006 0.000 0.154 399 G C 1.069 175.962 174.900 -0.012 0.000 1.014 399 G CA 0.284 45.382 45.100 -0.002 0.000 0.683 399 G HN 2.294 nan 8.290 nan 0.000 0.500 400 G N -1.522 107.272 108.800 -0.011 0.000 2.483 400 G HA2 0.173 4.137 3.960 0.006 0.000 0.521 400 G HA3 0.173 4.137 3.960 0.006 0.000 0.521 400 G C 0.236 175.123 174.900 -0.020 0.000 1.278 400 G CA 0.372 45.463 45.100 -0.014 0.000 0.965 400 G HN 1.406 nan 8.290 nan 0.000 0.504 401 Y N 0.169 120.357 120.300 -0.186 0.000 2.163 401 Y HA 0.134 4.688 4.550 0.006 0.000 0.288 401 Y C 2.789 178.660 175.900 -0.047 0.000 1.136 401 Y CA 2.781 60.788 58.100 -0.155 0.000 1.147 401 Y CB -0.296 37.960 38.460 -0.340 0.000 0.987 401 Y HN 0.428 nan 8.280 nan 0.000 0.509 402 F N 0.761 120.625 119.950 -0.145 0.000 2.126 402 F HA -0.236 4.295 4.527 0.006 0.000 0.299 402 F C 2.235 177.889 175.800 -0.244 0.000 1.096 402 F CA 1.326 59.201 58.000 -0.209 0.000 1.255 402 F CB -1.331 37.607 39.000 -0.102 0.000 0.997 402 F HN 0.155 nan 8.300 nan 0.000 0.479 403 N N 0.250 118.937 118.700 -0.022 0.000 2.120 403 N HA -0.119 4.624 4.740 0.006 0.000 0.188 403 N C 2.077 177.390 175.510 -0.328 0.000 1.024 403 N CA 1.432 54.404 53.050 -0.130 0.000 0.852 403 N CB -0.735 37.691 38.487 -0.102 0.000 1.003 403 N HN 0.231 nan 8.380 nan 0.000 0.424 404 A N 0.705 123.237 122.820 -0.480 0.000 1.877 404 A HA -0.100 4.224 4.320 0.006 0.000 0.216 404 A C 2.495 179.763 177.584 -0.526 0.000 1.186 404 A CA 1.503 52.965 52.037 -0.959 0.000 0.620 404 A CB -0.867 17.726 19.000 -0.678 0.000 0.822 404 A HN 0.108 nan 8.150 nan 0.000 0.443 405 V N 0.416 120.162 119.914 -0.280 0.000 2.343 405 V HA -0.261 3.862 4.120 0.006 0.000 0.247 405 V C 2.441 178.474 176.094 -0.102 0.000 1.051 405 V CA 2.164 64.395 62.300 -0.115 0.000 1.036 405 V CB -0.864 30.795 31.823 -0.272 0.000 0.654 405 V HN 0.589 nan 8.190 nan 0.000 0.451 406 E N 0.064 120.179 120.200 -0.143 0.000 2.077 406 E HA -0.255 4.099 4.350 0.006 0.000 0.193 406 E C 2.036 178.591 176.600 -0.076 0.000 0.989 406 E CA 1.230 57.570 56.400 -0.100 0.000 0.800 406 E CB -0.184 29.458 29.700 -0.095 0.000 0.746 406 E HN 0.690 nan 8.360 nan 0.000 0.452 407 Q N -0.345 119.378 119.800 -0.128 0.000 2.373 407 Q HA 0.084 4.428 4.340 0.006 0.000 0.206 407 Q C 0.618 176.697 176.000 0.132 0.000 0.942 407 Q CA 0.343 56.129 55.803 -0.029 0.000 0.953 407 Q CB 0.484 29.178 28.738 -0.073 0.000 1.022 407 Q HN 0.359 nan 8.270 nan 0.000 0.502 408 G N 0.676 109.537 108.800 0.102 0.000 2.246 408 G HA2 -0.261 3.703 3.960 0.006 0.000 0.273 408 G HA3 -0.261 3.703 3.960 0.006 0.000 0.273 408 G C 0.201 175.270 174.900 0.282 0.000 1.055 408 G CA -0.021 45.180 45.100 0.168 0.000 0.851 408 G HN 0.344 nan 8.290 nan 0.000 0.500 409 F N -0.652 119.266 119.950 -0.054 0.000 2.325 409 F HA 0.320 4.850 4.527 0.006 0.000 0.299 409 F C 1.603 177.291 175.800 -0.187 0.000 1.090 409 F CA -0.050 57.825 58.000 -0.208 0.000 1.392 409 F CB -0.348 38.414 39.000 -0.396 0.000 1.053 409 F HN 0.234 nan 8.300 nan 0.000 0.521 410 F N -1.505 118.627 119.950 0.304 0.000 2.440 410 F HA 0.431 4.962 4.527 0.006 0.000 0.328 410 F C 1.106 176.977 175.800 0.118 0.000 1.070 410 F CA -1.072 57.051 58.000 0.205 0.000 1.011 410 F CB 0.943 39.997 39.000 0.090 0.000 1.226 410 F HN -0.384 nan 8.300 nan 0.000 0.491 411 V N -0.426 119.681 119.914 0.321 0.000 3.774 411 V HA -0.344 3.780 4.120 0.006 0.000 0.216 411 V C -0.348 175.833 176.094 0.146 0.000 0.441 411 V CA 0.982 63.406 62.300 0.208 0.000 0.985 411 V CB -2.785 29.131 31.823 0.156 0.000 1.085 411 V HN 0.892 nan 8.190 nan 0.000 1.240 412 D N 0.576 121.063 120.400 0.145 0.000 2.345 412 D HA 0.488 5.132 4.640 0.006 0.000 0.247 412 D C 1.269 177.605 176.300 0.060 0.000 1.108 412 D CA 0.513 54.563 54.000 0.083 0.000 0.894 412 D CB 1.442 42.276 40.800 0.056 0.000 1.203 412 D HN 0.469 nan 8.370 nan 0.000 0.430 413 S N 1.835 117.549 115.700 0.024 0.000 2.650 413 S HA 0.190 4.664 4.470 0.006 0.000 0.219 413 S C 0.991 175.579 174.600 -0.020 0.000 0.960 413 S CA -0.369 57.827 58.200 -0.008 0.000 0.925 413 S CB -0.069 63.118 63.200 -0.021 0.000 0.775 413 S HN 0.428 nan 8.310 nan 0.000 0.525 414 G N 0.360 109.163 108.800 0.005 0.000 2.528 414 G HA2 0.422 4.386 3.960 0.006 0.000 0.289 414 G HA3 0.422 4.386 3.960 0.006 0.000 0.289 414 G C -1.257 173.698 174.900 0.092 0.000 1.192 414 G CA -0.769 44.338 45.100 0.012 0.000 0.921 414 G HN 0.353 nan 8.290 nan 0.000 0.512 415 Y N 1.030 121.294 120.300 -0.060 0.000 2.504 415 Y HA 0.388 4.942 4.550 0.006 0.000 0.339 415 Y C -0.272 175.617 175.900 -0.018 0.000 0.974 415 Y CA -2.270 55.819 58.100 -0.018 0.000 1.232 415 Y CB -0.219 38.231 38.460 -0.017 0.000 1.108 415 Y HN 0.475 nan 8.280 nan 0.000 0.509 416 Y N 9.383 129.629 120.300 -0.090 0.000 2.810 416 Y HA 0.083 4.637 4.550 0.006 0.000 0.332 416 Y C -1.390 174.282 175.900 -0.379 0.000 1.243 416 Y CA -1.034 56.920 58.100 -0.243 0.000 1.537 416 Y CB 0.847 39.219 38.460 -0.148 0.000 1.265 416 Y HN 0.535 nan 8.280 nan 0.000 0.572 417 P HA -0.070 nan 4.420 nan 0.000 0.249 417 P C -0.461 176.289 177.300 -0.917 0.000 1.229 417 P CA 0.383 62.436 63.100 -1.745 0.000 0.788 417 P CB -0.085 30.918 31.700 -1.163 0.000 1.072 418 E N 1.560 121.452 120.200 -0.514 0.000 2.414 418 E HA 0.003 4.356 4.350 0.006 0.000 0.263 418 E C -0.247 176.195 176.600 -0.262 0.000 1.000 418 E CA -0.350 55.869 56.400 -0.300 0.000 0.914 418 E CB 0.473 30.084 29.700 -0.149 0.000 0.948 418 E HN -0.061 nan 8.360 nan 0.000 0.444 419 R N 4.209 124.574 120.500 -0.224 0.000 2.409 419 R HA 0.211 4.555 4.340 0.006 0.000 0.313 419 R C -0.168 176.072 176.300 -0.101 0.000 0.953 419 R CA -0.604 55.397 56.100 -0.166 0.000 0.849 419 R CB 0.663 30.832 30.300 -0.218 0.000 1.171 419 R HN 0.569 nan 8.270 nan 0.000 0.458 420 N N 2.542 121.206 118.700 -0.061 0.000 2.463 420 N HA 0.058 4.801 4.740 0.006 0.000 0.181 420 N C 0.812 176.305 175.510 -0.028 0.000 1.078 420 N CA 1.091 54.118 53.050 -0.039 0.000 0.902 420 N CB 0.637 39.109 38.487 -0.024 0.000 0.970 420 N HN 0.930 nan 8.380 nan 0.000 0.451 421 G N 1.471 110.256 108.800 -0.025 0.000 2.141 421 G HA2 -0.225 3.739 3.960 0.006 0.000 0.242 421 G HA3 -0.225 3.739 3.960 0.006 0.000 0.242 421 G C -0.121 174.784 174.900 0.008 0.000 0.982 421 G CA 0.421 45.516 45.100 -0.009 0.000 0.662 421 G HN 0.500 nan 8.290 nan 0.000 0.527 422 D N 0.251 120.659 120.400 0.012 0.000 2.501 422 D HA 0.443 5.087 4.640 0.006 0.000 0.226 422 D C 1.273 177.596 176.300 0.037 0.000 1.198 422 D CA 0.299 54.311 54.000 0.020 0.000 0.830 422 D CB -0.164 40.644 40.800 0.014 0.000 1.014 422 D HN 0.638 nan 8.370 nan 0.000 0.496 423 G N 0.359 109.191 108.800 0.052 0.000 2.621 423 G HA2 0.419 4.383 3.960 0.006 0.000 0.271 423 G HA3 0.419 4.383 3.960 0.006 0.000 0.271 423 G C -0.008 174.932 174.900 0.066 0.000 1.236 423 G CA -0.636 44.513 45.100 0.080 0.000 0.958 423 G HN 0.138 nan 8.290 nan 0.000 0.512 424 I N 0.954 121.566 120.570 0.069 0.000 2.325 424 I HA 0.378 4.552 4.170 0.006 0.000 0.291 424 I C 0.611 176.748 176.117 0.033 0.000 1.019 424 I CA -0.866 60.451 61.300 0.028 0.000 1.302 424 I CB 0.613 38.603 38.000 -0.017 0.000 1.401 424 I HN 0.422 nan 8.210 nan 0.000 0.485 425 A N 8.010 130.838 122.820 0.013 0.000 2.253 425 A HA 0.664 4.988 4.320 0.006 0.000 0.316 425 A C 0.112 177.677 177.584 -0.032 0.000 1.327 425 A CA -0.708 51.329 52.037 -0.000 0.000 0.917 425 A CB 0.479 19.480 19.000 0.002 0.000 1.162 425 A HN 0.553 nan 8.150 nan 0.000 0.535 426 R N 1.468 121.936 120.500 -0.054 0.000 2.532 426 R HA 0.484 4.828 4.340 0.006 0.000 0.272 426 R C -0.570 175.679 176.300 -0.085 0.000 1.032 426 R CA -0.600 55.456 56.100 -0.074 0.000 1.089 426 R CB 0.519 30.764 30.300 -0.092 0.000 1.098 426 R HN 0.798 nan 8.270 nan 0.000 0.526 427 Q N 0.990 120.737 119.800 -0.090 0.000 2.290 427 Q HA 0.291 4.635 4.340 0.006 0.000 0.259 427 Q C 1.190 177.103 176.000 -0.146 0.000 0.941 427 Q CA -0.148 55.594 55.803 -0.102 0.000 0.912 427 Q CB 1.893 30.584 28.738 -0.079 0.000 1.244 427 Q HN 0.605 nan 8.270 nan 0.000 0.441 428 I N 3.048 123.506 120.570 -0.187 0.000 2.248 428 I HA -0.314 3.860 4.170 0.006 0.000 0.248 428 I C 0.927 176.908 176.117 -0.227 0.000 1.107 428 I CA 1.481 62.605 61.300 -0.294 0.000 1.373 428 I CB 0.200 38.013 38.000 -0.313 0.000 1.055 428 I HN 0.792 nan 8.210 nan 0.000 0.418 429 N N -0.067 118.542 118.700 -0.152 0.000 2.268 429 N HA 0.095 4.839 4.740 0.006 0.000 0.204 429 N C 0.475 175.928 175.510 -0.095 0.000 1.124 429 N CA 0.264 53.245 53.050 -0.116 0.000 0.838 429 N CB 0.628 39.062 38.487 -0.088 0.000 0.994 429 N HN 0.302 nan 8.380 nan 0.000 0.489 430 G N -0.924 107.816 108.800 -0.100 0.000 3.042 430 G HA2 0.640 4.604 3.960 0.006 0.000 0.278 430 G HA3 0.640 4.604 3.960 0.006 0.000 0.278 430 G C -0.010 174.848 174.900 -0.070 0.000 1.371 430 G CA -0.182 44.873 45.100 -0.075 0.000 1.009 430 G HN 0.368 nan 8.290 nan 0.000 0.523 431 G N -1.317 107.453 108.800 -0.051 0.000 2.760 431 G HA2 0.038 4.001 3.960 0.006 0.000 0.246 431 G HA3 0.038 4.001 3.960 0.006 0.000 0.246 431 G C -0.226 174.662 174.900 -0.021 0.000 1.359 431 G CA -0.367 44.712 45.100 -0.036 0.000 0.861 431 G HN 0.872 nan 8.290 nan 0.000 0.541 432 I N 1.781 122.355 120.570 0.007 0.000 2.588 432 I HA 0.394 4.568 4.170 0.006 0.000 0.283 432 I C 1.927 178.055 176.117 0.020 0.000 1.119 432 I CA 1.679 62.998 61.300 0.031 0.000 1.419 432 I CB -0.090 37.974 38.000 0.107 0.000 1.394 432 I HN 2.320 nan 8.210 nan 0.000 0.562 433 G N 4.614 113.425 108.800 0.018 0.000 2.168 433 G HA2 -0.202 3.762 3.960 0.006 0.000 0.257 433 G HA3 -0.202 3.762 3.960 0.006 0.000 0.257 433 G C 0.568 175.454 174.900 -0.023 0.000 0.997 433 G CA 0.251 45.357 45.100 0.010 0.000 0.708 433 G HN 1.088 nan 8.290 nan 0.000 0.520 434 A N -0.397 122.400 122.820 -0.038 0.000 2.511 434 A HA 0.657 4.980 4.320 0.006 0.000 0.242 434 A C 1.974 179.511 177.584 -0.077 0.000 1.069 434 A CA 1.583 53.580 52.037 -0.066 0.000 0.763 434 A CB 0.026 18.987 19.000 -0.066 0.000 1.001 434 A HN 2.368 nan 8.150 nan 0.000 0.498 435 G N 1.348 110.079 108.800 -0.116 0.000 2.147 435 G HA2 -0.195 3.769 3.960 0.006 0.000 0.244 435 G HA3 -0.195 3.769 3.960 0.006 0.000 0.244 435 G C 0.572 175.329 174.900 -0.238 0.000 1.005 435 G CA 1.300 46.307 45.100 -0.156 0.000 0.713 435 G HN 2.150 nan 8.290 nan 0.000 0.515 436 T N -2.939 111.473 114.554 -0.238 0.000 3.132 436 T HA 0.563 4.916 4.350 0.006 0.000 0.274 436 T C 0.476 174.927 174.700 -0.415 0.000 1.011 436 T CA 0.339 62.278 62.100 -0.268 0.000 0.899 436 T CB 0.985 69.853 68.868 0.000 0.000 1.089 436 T HN 0.598 nan 8.240 nan 0.000 0.543 437 V N 2.417 122.054 119.914 -0.463 0.000 2.498 437 V HA 0.550 4.674 4.120 0.006 0.000 0.279 437 V C -0.716 175.029 176.094 -0.582 0.000 1.048 437 V CA -0.606 61.503 62.300 -0.319 0.000 0.967 437 V CB 0.223 31.958 31.823 -0.147 0.000 0.988 437 V HN 0.433 nan 8.190 nan 0.000 0.473 438 F N 2.019 121.991 119.950 0.038 0.000 2.540 438 F HA 0.417 4.948 4.527 0.006 0.000 0.317 438 F C 0.357 176.171 175.800 0.023 0.000 1.104 438 F CA -0.808 57.213 58.000 0.035 0.000 0.913 438 F CB 1.525 40.556 39.000 0.052 0.000 1.170 438 F HN 0.525 nan 8.300 nan 0.000 0.450 439 E N 3.445 123.757 120.200 0.185 0.000 2.384 439 E HA 0.147 4.501 4.350 0.006 0.000 0.266 439 E C -0.391 176.257 176.600 0.081 0.000 1.012 439 E CA -0.506 55.948 56.400 0.091 0.000 0.901 439 E CB 0.687 30.420 29.700 0.056 0.000 0.967 439 E HN 0.564 nan 8.360 nan 0.000 0.435 440 R N 3.476 123.975 120.500 -0.002 0.000 2.389 440 R HA 0.105 4.449 4.340 0.006 0.000 0.295 440 R C -0.524 175.776 176.300 -0.000 0.000 1.075 440 R CA -0.469 55.613 56.100 -0.030 0.000 1.005 440 R CB 0.539 30.736 30.300 -0.171 0.000 0.987 440 R HN 0.526 nan 8.270 nan 0.000 0.452 441 D N 1.487 121.959 120.400 0.119 0.000 2.329 441 D HA -0.051 4.592 4.640 0.006 0.000 0.246 441 D C 1.193 177.545 176.300 0.086 0.000 1.111 441 D CA -0.242 53.807 54.000 0.081 0.000 0.941 441 D CB 0.882 41.748 40.800 0.109 0.000 1.169 441 D HN 0.491 nan 8.370 nan 0.000 0.441 442 E N 0.962 121.179 120.200 0.029 0.000 2.233 442 E HA -0.225 4.129 4.350 0.006 0.000 0.199 442 E C 0.208 176.951 176.600 0.238 0.000 1.004 442 E CA 1.155 57.592 56.400 0.063 0.000 0.819 442 E CB 0.181 29.906 29.700 0.041 0.000 0.738 442 E HN 0.540 nan 8.360 nan 0.000 0.478 443 D N -1.230 119.285 120.400 0.192 0.000 2.424 443 D HA -0.088 4.556 4.640 0.006 0.000 0.220 443 D C 0.256 176.674 176.300 0.195 0.000 1.150 443 D CA -0.643 53.458 54.000 0.169 0.000 0.831 443 D CB -1.183 39.656 40.800 0.064 0.000 0.981 443 D HN 0.090 nan 8.370 nan 0.000 0.500 444 Y N 1.870 122.289 120.300 0.197 0.000 2.811 444 Y HA 0.142 4.696 4.550 0.006 0.000 0.334 444 Y C 0.174 176.148 175.900 0.122 0.000 1.247 444 Y CA 0.384 58.587 58.100 0.171 0.000 1.526 444 Y CB 0.441 39.049 38.460 0.246 0.000 1.284 444 Y HN 0.007 nan 8.280 nan 0.000 0.586 445 M N 5.580 124.802 119.600 -0.631 0.000 2.470 445 M HA 0.678 5.162 4.480 0.006 0.000 0.285 445 M C -2.134 173.790 176.300 -0.626 0.000 1.213 445 M CA -0.609 54.445 55.300 -0.410 0.000 0.901 445 M CB 2.108 34.642 32.600 -0.108 0.000 1.718 445 M HN 0.723 nan 8.290 nan 0.000 0.469 446 A N 5.360 127.927 122.820 -0.421 0.000 2.357 446 A HA 0.805 5.129 4.320 0.006 0.000 0.295 446 A C -2.684 174.752 177.584 -0.246 0.000 1.121 446 A CA -1.120 50.688 52.037 -0.381 0.000 0.742 446 A CB 1.189 19.852 19.000 -0.561 0.000 1.181 446 A HN 0.544 nan 8.150 nan 0.000 0.454 447 P HA 0.273 nan 4.420 nan 0.000 0.212 447 P C -0.357 176.878 177.300 -0.108 0.000 1.816 447 P CA 0.181 63.198 63.100 -0.139 0.000 0.944 447 P CB -0.348 31.261 31.700 -0.151 0.000 1.896 448 V N -2.611 117.246 119.914 -0.095 0.000 3.188 448 V HA 0.607 4.730 4.120 0.006 0.000 0.305 448 V C -0.258 175.800 176.094 -0.059 0.000 1.232 448 V CA -0.855 61.398 62.300 -0.079 0.000 1.043 448 V CB 1.574 33.357 31.823 -0.066 0.000 1.068 448 V HN 0.002 nan 8.190 nan 0.000 0.439 449 T N 1.766 116.251 114.554 -0.114 0.000 2.918 449 T HA 0.584 4.938 4.350 0.006 0.000 0.302 449 T C 0.847 175.465 174.700 -0.137 0.000 1.045 449 T CA 0.616 62.627 62.100 -0.147 0.000 1.114 449 T CB 0.914 69.593 68.868 -0.316 0.000 0.965 449 T HN 2.556 nan 8.240 nan 0.000 0.540 450 A N 1.149 123.945 122.820 -0.041 0.000 2.800 450 A HA -0.182 4.142 4.320 0.006 0.000 0.292 450 A C 0.070 177.723 177.584 0.115 0.000 1.474 450 A CA 0.761 52.822 52.037 0.040 0.000 0.744 450 A CB -2.618 16.364 19.000 -0.029 0.000 1.044 450 A HN 1.034 nan 8.150 nan 0.000 0.489 451 H N -1.708 117.396 119.070 0.056 0.000 2.473 451 H HA 0.629 5.188 4.556 0.006 0.000 0.327 451 H C 0.535 175.957 175.328 0.156 0.000 1.105 451 H CA 0.117 56.231 56.048 0.110 0.000 1.280 451 H CB 0.456 30.274 29.762 0.094 0.000 1.450 451 H HN 0.450 nan 8.280 nan 0.000 0.492 452 F N 2.949 122.720 119.950 -0.298 0.000 2.274 452 F HA 0.328 4.859 4.527 0.006 0.000 0.288 452 F C 1.330 177.084 175.800 -0.077 0.000 1.069 452 F CA 0.811 58.727 58.000 -0.140 0.000 1.343 452 F CB -0.258 38.660 39.000 -0.137 0.000 1.089 452 F HN 0.639 nan 8.300 nan 0.000 0.517 453 G N -0.570 108.163 108.800 -0.112 0.000 2.631 453 G HA2 -0.049 3.915 3.960 0.006 0.000 0.271 453 G HA3 -0.049 3.915 3.960 0.006 0.000 0.271 453 G C -1.223 173.721 174.900 0.074 0.000 1.302 453 G CA -0.322 44.752 45.100 -0.043 0.000 1.002 453 G HN 0.397 nan 8.290 nan 0.000 0.519 454 Y N 0.696 120.974 120.300 -0.036 0.000 2.717 454 Y HA 0.161 4.715 4.550 0.006 0.000 0.330 454 Y C 0.070 176.066 175.900 0.161 0.000 1.217 454 Y CA 0.273 58.384 58.100 0.018 0.000 1.506 454 Y CB 0.354 38.810 38.460 -0.006 0.000 1.268 454 Y HN 0.420 nan 8.280 nan 0.000 0.561 455 N N 5.186 123.673 118.700 -0.355 0.000 2.500 455 N HA 0.112 4.856 4.740 0.006 0.000 0.291 455 N C -2.046 173.257 175.510 -0.345 0.000 1.092 455 N CA -0.699 52.269 53.050 -0.136 0.000 0.890 455 N CB 0.699 39.191 38.487 0.008 0.000 1.466 455 N HN 0.676 nan 8.380 nan 0.000 0.507 456 N N 3.831 122.395 118.700 -0.227 0.000 2.767 456 N HA 0.176 4.920 4.740 0.006 0.000 0.238 456 N C 0.143 175.630 175.510 -0.039 0.000 1.083 456 N CA -0.083 52.869 53.050 -0.163 0.000 0.964 456 N CB 0.497 38.979 38.487 -0.009 0.000 1.252 456 N HN 0.307 nan 8.380 nan 0.000 0.512 457 V N 3.366 123.254 119.914 -0.044 0.000 3.125 457 V HA 0.013 4.137 4.120 0.006 0.000 0.249 457 V C 2.134 178.248 176.094 0.034 0.000 1.113 457 V CA 0.598 62.914 62.300 0.028 0.000 1.106 457 V CB -0.254 31.568 31.823 -0.002 0.000 0.768 457 V HN 0.559 nan 8.190 nan 0.000 0.468 458 K N 0.905 121.296 120.400 -0.015 0.000 2.097 458 K HA -0.359 3.965 4.320 0.006 0.000 0.214 458 K C 2.234 178.812 176.600 -0.036 0.000 1.052 458 K CA 2.557 58.833 56.287 -0.019 0.000 0.932 458 K CB -0.267 32.215 32.500 -0.031 0.000 0.716 458 K HN 0.752 nan 8.250 nan 0.000 0.455 459 Q N -0.904 118.848 119.800 -0.080 0.000 2.297 459 Q HA -0.217 4.127 4.340 0.006 0.000 0.208 459 Q C 1.074 176.862 176.000 -0.354 0.000 0.981 459 Q CA 1.745 57.417 55.803 -0.217 0.000 0.876 459 Q CB -0.143 28.423 28.738 -0.286 0.000 0.921 459 Q HN 0.458 nan 8.270 nan 0.000 0.446 460 Y N -0.536 119.747 120.300 -0.028 0.000 2.558 460 Y HA 0.297 4.851 4.550 0.006 0.000 0.273 460 Y C -0.060 175.825 175.900 -0.024 0.000 1.100 460 Y CA -0.052 58.031 58.100 -0.028 0.000 1.276 460 Y CB 1.163 39.601 38.460 -0.037 0.000 1.196 460 Y HN 0.095 nan 8.280 nan 0.000 0.527 461 D N -0.649 119.814 120.400 0.104 0.000 2.192 461 D HA 0.066 4.710 4.640 0.006 0.000 0.200 461 D C -0.316 176.001 176.300 0.028 0.000 1.281 461 D CA 0.065 54.099 54.000 0.056 0.000 0.895 461 D CB 0.572 41.407 40.800 0.058 0.000 1.643 461 D HN 0.069 nan 8.370 nan 0.000 0.510 462 E N 1.332 121.539 120.200 0.013 0.000 2.204 462 E HA -0.067 4.286 4.350 0.006 0.000 0.195 462 E C 1.981 178.583 176.600 0.004 0.000 0.990 462 E CA 1.363 57.764 56.400 0.003 0.000 0.821 462 E CB 0.118 29.818 29.700 -0.001 0.000 0.750 462 E HN 0.487 nan 8.360 nan 0.000 0.477 463 A N 0.393 123.218 122.820 0.007 0.000 1.969 463 A HA -0.109 4.215 4.320 0.006 0.000 0.218 463 A C 1.733 179.320 177.584 0.006 0.000 1.169 463 A CA 0.947 52.987 52.037 0.006 0.000 0.635 463 A CB -0.216 18.788 19.000 0.007 0.000 0.810 463 A HN 0.173 nan 8.150 nan 0.000 0.445 464 L N -0.381 120.846 121.223 0.007 0.000 2.599 464 L HA 0.061 4.405 4.340 0.006 0.000 0.230 464 L C 2.074 178.944 176.870 -0.001 0.000 1.141 464 L CA 0.523 55.365 54.840 0.004 0.000 0.877 464 L CB -0.392 41.670 42.059 0.005 0.000 1.009 464 L HN 0.163 nan 8.230 nan 0.000 0.447 465 V N -0.368 119.544 119.914 -0.003 0.000 2.380 465 V HA -0.263 3.861 4.120 0.006 0.000 0.251 465 V C 1.993 178.082 176.094 -0.009 0.000 1.063 465 V CA 2.002 64.294 62.300 -0.013 0.000 1.055 465 V CB -0.489 31.323 31.823 -0.019 0.000 0.657 465 V HN 0.725 nan 8.190 nan 0.000 0.455 466 S N -1.460 114.241 115.700 0.001 0.000 2.583 466 S HA 0.236 4.710 4.470 0.006 0.000 0.239 466 S C 0.375 174.986 174.600 0.019 0.000 0.966 466 S CA -0.274 57.933 58.200 0.011 0.000 0.973 466 S CB 0.190 63.400 63.200 0.016 0.000 0.794 466 S HN 0.538 nan 8.310 nan 0.000 0.463 467 E N 1.164 121.370 120.200 0.010 0.000 3.711 467 E HA 0.226 4.579 4.350 0.006 0.000 0.267 467 E C -2.520 174.074 176.600 -0.009 0.000 1.198 467 E CA -1.362 55.043 56.400 0.008 0.000 1.150 467 E CB 1.260 30.968 29.700 0.013 0.000 1.297 467 E HN 0.171 nan 8.360 nan 0.000 0.399 468 P HA -0.204 nan 4.420 nan 0.000 0.217 468 P C 1.513 178.782 177.300 -0.052 0.000 1.148 468 P CA 1.469 64.547 63.100 -0.037 0.000 0.834 468 P CB 0.205 31.879 31.700 -0.044 0.000 0.783 469 S N -1.499 114.172 115.700 -0.048 0.000 2.515 469 S HA -0.031 4.443 4.470 0.006 0.000 0.231 469 S C 1.739 176.310 174.600 -0.048 0.000 0.987 469 S CA 0.534 58.699 58.200 -0.058 0.000 0.936 469 S CB -0.710 62.453 63.200 -0.062 0.000 0.766 469 S HN 0.126 nan 8.310 nan 0.000 0.528 470 K N 0.532 120.912 120.400 -0.034 0.000 2.063 470 K HA -0.013 4.311 4.320 0.006 0.000 0.208 470 K C 1.672 178.246 176.600 -0.045 0.000 1.048 470 K CA 1.157 57.427 56.287 -0.029 0.000 0.928 470 K CB -0.465 32.026 32.500 -0.016 0.000 0.713 470 K HN 0.231 nan 8.250 nan 0.000 0.442 471 L N 0.922 122.109 121.223 -0.060 0.000 2.123 471 L HA -0.215 4.129 4.340 0.006 0.000 0.217 471 L C 1.857 178.665 176.870 -0.104 0.000 1.081 471 L CA 1.784 56.566 54.840 -0.097 0.000 0.772 471 L CB -0.603 41.374 42.059 -0.137 0.000 0.890 471 L HN 0.343 nan 8.230 nan 0.000 0.437 472 I N -5.684 114.833 120.570 -0.087 0.000 3.833 472 I HA 0.287 4.461 4.170 0.006 0.000 0.328 472 I C -0.434 175.650 176.117 -0.055 0.000 1.554 472 I CA -0.240 61.013 61.300 -0.079 0.000 1.116 472 I CB 0.270 38.218 38.000 -0.085 0.000 1.182 472 I HN -0.059 nan 8.210 nan 0.000 0.459 473 D N 2.291 122.663 120.400 -0.045 0.000 2.746 473 D HA -0.116 4.528 4.640 0.006 0.000 0.236 473 D C 0.699 176.983 176.300 -0.027 0.000 1.129 473 D CA 1.702 55.684 54.000 -0.030 0.000 0.691 473 D CB -1.286 39.498 40.800 -0.027 0.000 1.077 473 D HN 1.076 nan 8.370 nan 0.000 0.432 474 G N -0.982 107.800 108.800 -0.031 0.000 2.862 474 G HA2 -0.055 3.909 3.960 0.006 0.000 0.686 474 G HA3 -0.055 3.909 3.960 0.006 0.000 0.686 474 G C 0.664 175.537 174.900 -0.045 0.000 1.134 474 G CA -0.228 44.853 45.100 -0.032 0.000 0.791 474 G HN 1.067 nan 8.290 nan 0.000 0.592 475 C N 1.383 120.645 119.300 -0.064 0.000 2.345 475 C HA 0.860 5.324 4.460 0.006 0.000 0.369 475 C C 2.493 177.441 174.990 -0.070 0.000 1.273 475 C CA 0.663 59.637 59.018 -0.074 0.000 2.310 475 C CB 0.633 28.310 27.740 -0.104 0.000 2.219 475 C HN 1.926 nan 8.230 nan 0.000 0.587 476 T N 0.167 114.684 114.554 -0.062 0.000 2.714 476 T HA -0.251 4.102 4.350 0.006 0.000 0.268 476 T C 1.523 176.191 174.700 -0.054 0.000 1.036 476 T CA 2.170 64.246 62.100 -0.040 0.000 1.148 476 T CB -0.859 67.994 68.868 -0.025 0.000 0.856 476 T HN 0.704 nan 8.240 nan 0.000 0.462 477 L N 0.346 121.472 121.223 -0.162 0.000 2.127 477 L HA -0.095 4.248 4.340 0.006 0.000 0.211 477 L C 2.826 179.692 176.870 -0.006 0.000 1.089 477 L CA 1.820 56.497 54.840 -0.271 0.000 0.757 477 L CB -0.598 40.926 42.059 -0.891 0.000 0.899 477 L HN 0.334 nan 8.230 nan 0.000 0.434 478 E N -1.013 119.180 120.200 -0.012 0.000 2.216 478 E HA 0.029 4.383 4.350 0.006 0.000 0.192 478 E C 0.145 176.772 176.600 0.045 0.000 0.973 478 E CA 0.298 56.734 56.400 0.060 0.000 0.851 478 E CB 0.521 30.240 29.700 0.032 0.000 0.804 478 E HN 0.128 nan 8.360 nan 0.000 0.477 479 V N 2.450 122.375 119.914 0.017 0.000 2.383 479 V HA 0.182 4.306 4.120 0.006 0.000 0.264 479 V C -2.180 173.921 176.094 0.012 0.000 1.001 479 V CA -0.995 61.312 62.300 0.013 0.000 0.828 479 V CB 1.449 33.273 31.823 0.001 0.000 1.069 479 V HN 0.055 nan 8.190 nan 0.000 0.451 480 P HA 0.031 nan 4.420 nan 0.000 0.245 480 P C 0.880 178.191 177.300 0.018 0.000 1.212 480 P CA 0.519 63.634 63.100 0.025 0.000 0.774 480 P CB 0.584 32.304 31.700 0.033 0.000 0.999 481 E N 0.408 120.613 120.200 0.009 0.000 2.338 481 E HA -0.095 4.258 4.350 0.006 0.000 0.197 481 E C 1.690 178.299 176.600 0.014 0.000 1.007 481 E CA 0.883 57.288 56.400 0.008 0.000 0.849 481 E CB -0.503 29.198 29.700 0.001 0.000 0.774 481 E HN 0.330 nan 8.360 nan 0.000 0.506 482 K N 0.145 120.552 120.400 0.012 0.000 2.366 482 K HA 0.072 4.396 4.320 0.006 0.000 0.198 482 K C 0.301 176.915 176.600 0.022 0.000 1.044 482 K CA 0.070 56.363 56.287 0.011 0.000 0.973 482 K CB 0.058 32.557 32.500 -0.002 0.000 0.767 482 K HN 0.146 nan 8.250 nan 0.000 0.475 483 I N 2.129 122.720 120.570 0.035 0.000 2.752 483 I HA -0.115 4.059 4.170 0.006 0.000 0.289 483 I C -0.090 176.072 176.117 0.076 0.000 1.197 483 I CA 0.039 61.374 61.300 0.058 0.000 1.432 483 I CB 0.530 38.577 38.000 0.078 0.000 1.359 483 I HN -0.218 nan 8.210 nan 0.000 0.571 484 V N 7.936 127.897 119.914 0.079 0.000 2.383 484 V HA 0.141 4.265 4.120 0.006 0.000 0.275 484 V C -0.459 175.717 176.094 0.136 0.000 1.036 484 V CA -0.572 61.783 62.300 0.092 0.000 0.889 484 V CB 0.868 32.721 31.823 0.051 0.000 0.985 484 V HN 0.454 nan 8.190 nan 0.000 0.459 485 Y N 6.250 126.567 120.300 0.028 0.000 2.331 485 Y HA 0.673 5.227 4.550 0.006 0.000 0.338 485 Y C -0.288 175.629 175.900 0.028 0.000 0.976 485 Y CA -0.819 57.302 58.100 0.034 0.000 1.137 485 Y CB 1.078 39.563 38.460 0.040 0.000 1.172 485 Y HN 0.547 nan 8.280 nan 0.000 0.478 486 I N 6.397 126.655 120.570 -0.520 0.000 2.412 486 I HA 0.178 4.352 4.170 0.006 0.000 0.296 486 I C 0.172 175.805 176.117 -0.808 0.000 0.987 486 I CA -0.422 60.605 61.300 -0.455 0.000 1.180 486 I CB 1.804 39.668 38.000 -0.228 0.000 1.340 486 I HN 0.720 nan 8.210 nan 0.000 0.455 487 D N 3.869 123.997 120.400 -0.453 0.000 2.178 487 D HA 0.017 4.660 4.640 0.006 0.000 0.217 487 D C 0.053 176.259 176.300 -0.156 0.000 0.992 487 D CA 1.533 55.372 54.000 -0.268 0.000 0.895 487 D CB 0.601 41.409 40.800 0.014 0.000 1.031 487 D HN 0.404 nan 8.370 nan 0.000 0.453 488 E N -0.557 119.593 120.200 -0.085 0.000 2.343 488 E HA 0.246 4.599 4.350 0.006 0.000 0.278 488 E C 0.095 176.670 176.600 -0.042 0.000 0.910 488 E CA -0.297 56.075 56.400 -0.047 0.000 0.757 488 E CB 1.963 31.659 29.700 -0.007 0.000 1.218 488 E HN 0.122 nan 8.360 nan 0.000 0.435 489 L N 0.024 121.225 121.223 -0.037 0.000 2.515 489 L HA 0.203 4.547 4.340 0.006 0.000 0.223 489 L C 0.575 177.433 176.870 -0.020 0.000 1.079 489 L CA 0.373 55.195 54.840 -0.031 0.000 0.857 489 L CB 0.484 42.520 42.059 -0.037 0.000 1.050 489 L HN 0.302 nan 8.230 nan 0.000 0.476 490 D N 0.078 120.470 120.400 -0.014 0.000 2.440 490 D HA 0.117 4.761 4.640 0.006 0.000 0.239 490 D C 0.503 176.802 176.300 -0.002 0.000 1.084 490 D CA -0.148 53.847 54.000 -0.008 0.000 0.843 490 D CB 1.992 42.787 40.800 -0.007 0.000 1.097 490 D HN -0.110 nan 8.370 nan 0.000 0.531 491 E N 2.044 122.243 120.200 -0.002 0.000 2.265 491 E HA -0.098 4.256 4.350 0.006 0.000 0.196 491 E C 0.848 177.449 176.600 0.001 0.000 0.996 491 E CA 1.182 57.582 56.400 0.001 0.000 0.832 491 E CB 0.182 29.882 29.700 0.000 0.000 0.756 491 E HN 0.523 nan 8.360 nan 0.000 0.491 492 N N -0.672 118.027 118.700 -0.001 0.000 2.454 492 N HA -0.021 4.723 4.740 0.006 0.000 0.177 492 N C -0.091 175.416 175.510 -0.004 0.000 1.049 492 N CA 0.439 53.487 53.050 -0.002 0.000 0.887 492 N CB 0.538 39.023 38.487 -0.002 0.000 1.095 492 N HN -0.078 nan 8.380 nan 0.000 0.446 493 D N 0.742 121.142 120.400 -0.000 0.000 2.514 493 D HA 0.177 4.821 4.640 0.006 0.000 0.267 493 D C -1.316 174.991 176.300 0.011 0.000 1.165 493 D CA -0.526 53.474 54.000 0.001 0.000 0.958 493 D CB -0.450 40.353 40.800 0.005 0.000 0.992 493 D HN 0.314 nan 8.370 nan 0.000 0.506 494 N N -0.702 118.004 118.700 0.009 0.000 2.927 494 N HA 0.093 4.837 4.740 0.006 0.000 0.248 494 N C 0.111 175.633 175.510 0.020 0.000 1.443 494 N CA -0.914 52.155 53.050 0.032 0.000 0.870 494 N CB 1.020 39.527 38.487 0.034 0.000 1.444 494 N HN -0.156 nan 8.380 nan 0.000 0.519 495 V N 0.423 120.374 119.914 0.061 0.000 2.490 495 V HA -0.200 3.924 4.120 0.006 0.000 0.250 495 V C 1.101 177.181 176.094 -0.023 0.000 1.061 495 V CA 1.908 64.212 62.300 0.006 0.000 1.064 495 V CB -0.916 30.954 31.823 0.079 0.000 0.670 495 V HN 0.661 nan 8.190 nan 0.000 0.461 496 N N 0.155 118.861 118.700 0.010 0.000 2.142 496 N HA -0.115 4.629 4.740 0.006 0.000 0.186 496 N C 1.781 177.282 175.510 -0.015 0.000 1.023 496 N CA 1.753 54.803 53.050 0.001 0.000 0.852 496 N CB -0.560 37.938 38.487 0.018 0.000 0.998 496 N HN 0.455 nan 8.380 nan 0.000 0.424 497 V N 1.733 121.638 119.914 -0.015 0.000 2.295 497 V HA -0.190 3.934 4.120 0.006 0.000 0.246 497 V C 2.517 178.586 176.094 -0.042 0.000 1.049 497 V CA 1.447 63.734 62.300 -0.022 0.000 1.024 497 V CB -0.419 31.393 31.823 -0.019 0.000 0.648 497 V HN 0.242 nan 8.190 nan 0.000 0.447 498 R N -0.810 119.649 120.500 -0.067 0.000 2.080 498 R HA -0.168 4.175 4.340 0.006 0.000 0.236 498 R C 2.411 178.650 176.300 -0.101 0.000 1.137 498 R CA 1.789 57.823 56.100 -0.110 0.000 0.943 498 R CB -0.329 29.869 30.300 -0.169 0.000 0.846 498 R HN 0.371 nan 8.270 nan 0.000 0.431 499 M N 0.392 119.938 119.600 -0.089 0.000 2.108 499 M HA -0.190 4.294 4.480 0.006 0.000 0.261 499 M C 2.120 178.398 176.300 -0.038 0.000 1.066 499 M CA 1.457 56.713 55.300 -0.073 0.000 1.107 499 M CB -0.876 31.688 32.600 -0.060 0.000 1.356 499 M HN 0.154 nan 8.290 nan 0.000 0.406 500 E N 0.659 120.843 120.200 -0.026 0.000 2.110 500 E HA -0.197 4.157 4.350 0.006 0.000 0.193 500 E C 1.828 178.427 176.600 -0.001 0.000 0.988 500 E CA 1.022 57.417 56.400 -0.008 0.000 0.804 500 E CB -0.078 29.619 29.700 -0.005 0.000 0.745 500 E HN 0.390 nan 8.360 nan 0.000 0.458 501 E N -0.255 119.936 120.200 -0.016 0.000 2.114 501 E HA -0.179 4.175 4.350 0.006 0.000 0.199 501 E C 1.528 178.138 176.600 0.017 0.000 1.008 501 E CA 2.052 58.447 56.400 -0.009 0.000 0.810 501 E CB -0.116 29.561 29.700 -0.038 0.000 0.739 501 E HN 0.366 nan 8.360 nan 0.000 0.456 502 T N -3.229 111.331 114.554 0.010 0.000 3.215 502 T HA 0.329 4.683 4.350 0.006 0.000 0.271 502 T C 1.416 176.176 174.700 0.101 0.000 1.012 502 T CA 0.523 62.661 62.100 0.064 0.000 0.899 502 T CB 0.638 69.491 68.868 -0.024 0.000 1.089 502 T HN 0.107 nan 8.240 nan 0.000 0.552 503 K N 1.311 121.748 120.400 0.060 0.000 2.152 503 K HA -0.016 4.308 4.320 0.006 0.000 0.206 503 K C 2.273 178.914 176.600 0.069 0.000 1.048 503 K CA 1.881 58.198 56.287 0.050 0.000 0.933 503 K CB -1.821 30.694 32.500 0.024 0.000 0.721 503 K HN 0.797 nan 8.250 nan 0.000 0.447 504 E N -0.722 119.532 120.200 0.091 0.000 2.396 504 E HA -0.008 4.346 4.350 0.006 0.000 0.200 504 E C 1.635 178.235 176.600 -0.001 0.000 1.023 504 E CA 1.257 57.685 56.400 0.047 0.000 0.857 504 E CB -0.718 29.015 29.700 0.056 0.000 0.775 504 E HN 0.764 nan 8.360 nan 0.000 0.525 505 F N -0.510 119.432 119.950 -0.013 0.000 2.694 505 F HA 0.279 4.809 4.527 0.005 0.000 0.292 505 F C 1.468 177.260 175.800 -0.014 0.000 1.121 505 F CA 0.022 58.015 58.000 -0.011 0.000 1.352 505 F CB 0.775 39.768 39.000 -0.011 0.000 1.107 505 F HN -0.003 nan 8.300 nan 0.000 0.597 510 M N 2.312 121.819 119.600 -0.155 0.000 2.241 510 M HA 0.502 4.985 4.480 0.006 0.000 0.335 510 M C -0.079 176.219 176.300 -0.004 0.000 1.122 510 M CA 0.161 55.355 55.300 -0.178 0.000 1.164 510 M CB 0.676 32.991 32.600 -0.474 0.000 1.459 510 M HN 0.561 nan 8.290 nan 0.000 0.461 511 I N 1.684 122.332 120.570 0.130 0.000 2.969 511 I HA 0.562 4.736 4.170 0.006 0.000 0.307 511 I C -1.046 175.249 176.117 0.297 0.000 1.149 511 I CA -0.521 60.929 61.300 0.250 0.000 1.008 511 I CB 2.335 40.408 38.000 0.122 0.000 1.232 511 I HN 0.760 nan 8.210 nan 0.000 0.435 512 K N 5.637 126.173 120.400 0.227 0.000 2.548 512 K HA 0.642 4.966 4.320 0.006 0.000 0.282 512 K C -3.100 173.495 176.600 -0.009 0.000 1.006 512 K CA -1.360 54.989 56.287 0.103 0.000 0.892 512 K CB 1.708 34.273 32.500 0.109 0.000 1.499 512 K HN 0.188 nan 8.250 nan 0.000 0.433 513 P HA 0.137 nan 4.420 nan 0.000 0.272 513 P C -1.311 175.899 177.300 -0.150 0.000 1.240 513 P CA -0.007 63.039 63.100 -0.090 0.000 0.791 513 P CB 0.526 32.162 31.700 -0.106 0.000 0.978 514 E N -1.163 118.930 120.200 -0.179 0.000 2.412 514 E HA 0.405 4.759 4.350 0.006 0.000 0.279 514 E C -0.473 175.900 176.600 -0.378 0.000 0.984 514 E CA -0.977 55.280 56.400 -0.238 0.000 0.788 514 E CB 1.298 30.921 29.700 -0.129 0.000 1.277 514 E HN 0.099 nan 8.360 nan 0.000 0.455 515 V N -1.905 117.657 119.914 -0.587 0.000 3.359 515 V HA 0.245 4.369 4.120 0.006 0.000 0.245 515 V C 1.177 176.694 176.094 -0.962 0.000 1.247 515 V CA 1.247 63.007 62.300 -0.901 0.000 1.145 515 V CB -0.361 30.420 31.823 -1.736 0.000 0.906 515 V HN 0.869 nan 8.190 nan 0.000 0.464 516 E N -2.447 117.340 120.200 -0.689 0.000 2.661 516 E HA 0.147 4.500 4.350 0.006 0.000 0.202 516 E C -0.017 176.623 176.600 0.067 0.000 0.911 516 E CA -0.441 55.671 56.400 -0.480 0.000 1.581 516 E CB 0.292 29.763 29.700 -0.382 0.000 1.667 516 E HN 0.452 nan 8.360 nan 0.000 0.911 517 W N 2.840 124.042 121.300 -0.164 0.000 2.666 517 W HA 0.453 5.116 4.660 0.004 0.000 0.334 517 W C -0.064 176.375 176.519 -0.132 0.000 1.051 517 W CA -1.842 55.440 57.345 -0.106 0.000 1.224 517 W CB 1.257 30.652 29.460 -0.109 0.000 1.405 517 W HN 0.052 nan 8.180 nan 0.000 0.513 518 Q N 1.841 121.691 119.800 0.085 0.000 2.339 518 Q HA 0.233 4.577 4.340 0.006 0.000 0.308 518 Q C 0.958 176.850 176.000 -0.181 0.000 1.097 518 Q CA 1.734 57.502 55.803 -0.059 0.000 1.007 518 Q CB 0.193 28.874 28.738 -0.095 0.000 1.051 518 Q HN 0.701 nan 8.270 nan 0.000 0.381 519 A N 3.850 126.505 122.820 -0.275 0.000 2.925 519 A HA -0.225 4.098 4.320 0.006 0.000 0.265 519 A C 0.549 177.960 177.584 -0.289 0.000 1.419 519 A CA 1.072 52.831 52.037 -0.464 0.000 0.807 519 A CB -2.119 16.232 19.000 -1.083 0.000 1.043 519 A HN 1.025 nan 8.150 nan 0.000 0.600 520 D N -1.572 118.720 120.400 -0.180 0.000 2.347 520 D HA 0.325 4.969 4.640 0.006 0.000 0.215 520 D C 1.653 177.842 176.300 -0.185 0.000 0.976 520 D CA 1.317 55.234 54.000 -0.139 0.000 0.884 520 D CB -0.606 40.128 40.800 -0.111 0.000 0.915 520 D HN 1.894 nan 8.370 nan 0.000 0.526 521 G N -0.669 108.006 108.800 -0.209 0.000 2.179 521 G HA2 -0.286 3.678 3.960 0.006 0.000 0.260 521 G HA3 -0.286 3.678 3.960 0.006 0.000 0.260 521 G C 0.463 175.227 174.900 -0.226 0.000 0.977 521 G CA 0.559 45.537 45.100 -0.202 0.000 0.641 521 G HN 0.512 nan 8.290 nan 0.000 0.533 522 T N 0.959 115.339 114.554 -0.291 0.000 2.919 522 T HA 0.537 4.890 4.350 0.006 0.000 0.302 522 T C 0.620 175.115 174.700 -0.342 0.000 1.031 522 T CA 0.453 62.358 62.100 -0.324 0.000 1.127 522 T CB 2.011 70.604 68.868 -0.460 0.000 0.952 522 T HN 1.497 nan 8.240 nan 0.000 0.540 523 V N 1.033 120.817 119.914 -0.217 0.000 3.160 523 V HA 0.867 4.990 4.120 0.006 0.000 0.310 523 V C -1.225 174.882 176.094 0.021 0.000 1.181 523 V CA -1.359 60.864 62.300 -0.130 0.000 1.047 523 V CB 1.963 33.753 31.823 -0.054 0.000 1.068 523 V HN 0.663 nan 8.190 nan 0.000 0.441 524 L N 1.859 123.160 121.223 0.131 0.000 2.313 524 L HA 0.764 5.108 4.340 0.006 0.000 0.283 524 L C -0.994 175.952 176.870 0.128 0.000 1.013 524 L CA -0.529 54.446 54.840 0.224 0.000 0.816 524 L CB 1.364 43.642 42.059 0.365 0.000 1.236 524 L HN 0.814 nan 8.230 nan 0.000 0.419 525 L N 4.425 125.710 121.223 0.103 0.000 2.282 525 L HA 0.651 4.995 4.340 0.006 0.000 0.288 525 L C -0.420 176.490 176.870 0.065 0.000 1.033 525 L CA 0.311 55.195 54.840 0.072 0.000 0.807 525 L CB 1.637 43.732 42.059 0.060 0.000 1.209 525 L HN 0.712 nan 8.230 nan 0.000 0.423 526 T N 6.528 121.116 114.554 0.057 0.000 2.824 526 T HA 0.741 5.095 4.350 0.006 0.000 0.282 526 T C -0.297 174.428 174.700 0.042 0.000 0.993 526 T CA -0.495 61.636 62.100 0.050 0.000 0.967 526 T CB 1.227 70.129 68.868 0.057 0.000 0.960 526 T HN 0.661 nan 8.240 nan 0.000 0.441 527 M N 1.830 121.454 119.600 0.041 0.000 2.622 527 M HA 0.820 5.304 4.480 0.006 0.000 0.276 527 M C -1.962 174.392 176.300 0.091 0.000 1.265 527 M CA -1.207 54.115 55.300 0.037 0.000 0.850 527 M CB 2.372 34.953 32.600 -0.032 0.000 1.720 527 M HN 0.512 nan 8.290 nan 0.000 0.465 528 F N 2.018 121.943 119.950 -0.042 0.000 2.507 528 F HA 0.801 5.332 4.527 0.006 0.000 0.325 528 F C -2.317 173.464 175.800 -0.031 0.000 1.116 528 F CA -0.673 57.312 58.000 -0.025 0.000 0.930 528 F CB 1.579 40.568 39.000 -0.019 0.000 1.146 528 F HN 0.598 nan 8.300 nan 0.000 0.447 529 L N 7.697 128.364 121.223 -0.926 0.000 2.362 529 L HA 0.485 4.829 4.340 0.006 0.000 0.275 529 L C -2.212 174.103 176.870 -0.926 0.000 0.998 529 L CA -1.968 52.502 54.840 -0.617 0.000 0.820 529 L CB 2.606 44.515 42.059 -0.251 0.000 1.270 529 L HN 0.462 nan 8.230 nan 0.000 0.415 530 P HA 0.082 nan 4.420 nan 0.000 0.226 530 P C -0.334 176.911 177.300 -0.092 0.000 1.783 530 P CA 0.232 63.235 63.100 -0.162 0.000 0.980 530 P CB 0.262 32.025 31.700 0.106 0.000 1.967 531 T N -0.940 113.526 114.554 -0.147 0.000 2.739 531 T HA 0.411 4.765 4.350 0.006 0.000 0.303 531 T C -0.467 174.197 174.700 -0.061 0.000 1.389 531 T CA -0.296 61.766 62.100 -0.063 0.000 1.001 531 T CB 0.987 69.834 68.868 -0.035 0.000 1.436 531 T HN 0.114 nan 8.240 nan 0.000 0.500 532 S N 1.190 116.875 115.700 -0.024 0.000 2.608 532 S HA 0.263 4.737 4.470 0.006 0.000 0.261 532 S C 1.469 176.065 174.600 -0.007 0.000 1.314 532 S CA 0.123 58.316 58.200 -0.012 0.000 0.992 532 S CB 0.695 63.893 63.200 -0.002 0.000 0.935 532 S HN 1.010 nan 8.310 nan 0.000 0.564 533 K N 0.907 121.311 120.400 0.006 0.000 2.001 533 K HA -0.121 4.203 4.320 0.006 0.000 0.208 533 K C 2.261 178.893 176.600 0.054 0.000 1.048 533 K CA 1.019 57.316 56.287 0.017 0.000 0.932 533 K CB -0.341 32.171 32.500 0.020 0.000 0.715 533 K HN 0.588 nan 8.250 nan 0.000 0.437 534 R N 0.979 121.520 120.500 0.068 0.000 2.092 534 R HA -0.066 4.278 4.340 0.006 0.000 0.231 534 R C 2.134 178.540 176.300 0.178 0.000 1.119 534 R CA 1.305 57.486 56.100 0.134 0.000 0.970 534 R CB -0.188 30.150 30.300 0.062 0.000 0.864 534 R HN 0.146 nan 8.270 nan 0.000 0.440 535 V N 0.865 120.826 119.914 0.077 0.000 2.407 535 V HA -0.212 3.911 4.120 0.006 0.000 0.248 535 V C 2.427 178.595 176.094 0.123 0.000 1.055 535 V CA 1.850 64.197 62.300 0.078 0.000 1.049 535 V CB -0.752 31.085 31.823 0.023 0.000 0.662 535 V HN 0.518 nan 8.190 nan 0.000 0.455 536 A N -0.361 122.504 122.820 0.075 0.000 1.902 536 A HA -0.274 4.050 4.320 0.006 0.000 0.217 536 A C 2.244 179.877 177.584 0.082 0.000 1.181 536 A CA 1.993 54.058 52.037 0.046 0.000 0.623 536 A CB -0.535 18.445 19.000 -0.033 0.000 0.818 536 A HN 0.600 nan 8.150 nan 0.000 0.443 537 E N -0.980 119.281 120.200 0.102 0.000 2.048 537 E HA -0.238 4.116 4.350 0.006 0.000 0.202 537 E C 1.684 178.274 176.600 -0.016 0.000 1.021 537 E CA 1.946 58.366 56.400 0.034 0.000 0.825 537 E CB -0.284 29.455 29.700 0.065 0.000 0.756 537 E HN 0.669 nan 8.360 nan 0.000 0.454 538 F N 0.113 120.066 119.950 0.005 0.000 2.206 538 F HA -0.073 4.458 4.527 0.007 0.000 0.298 538 F C 2.353 178.151 175.800 -0.004 0.000 1.090 538 F CA 0.737 58.736 58.000 -0.002 0.000 1.323 538 F CB -0.284 38.709 39.000 -0.011 0.000 1.028 538 F HN 0.125 nan 8.300 nan 0.000 0.492 539 A N 0.180 123.102 122.820 0.170 0.000 1.902 539 A HA -0.116 4.208 4.320 0.006 0.000 0.217 539 A C 2.384 180.059 177.584 0.153 0.000 1.181 539 A CA 1.724 53.821 52.037 0.100 0.000 0.623 539 A CB -1.261 17.831 19.000 0.153 0.000 0.818 539 A HN 0.307 nan 8.150 nan 0.000 0.443 540 A N 0.046 122.979 122.820 0.189 0.000 1.933 540 A HA -0.058 4.266 4.320 0.006 0.000 0.218 540 A C 1.938 179.597 177.584 0.126 0.000 1.175 540 A CA 1.594 53.763 52.037 0.218 0.000 0.628 540 A CB -0.520 18.540 19.000 0.099 0.000 0.814 540 A HN 0.413 nan 8.150 nan 0.000 0.444 541 I N 0.372 120.950 120.570 0.014 0.000 2.151 541 I HA -0.209 3.965 4.170 0.006 0.000 0.243 541 I C 2.351 178.466 176.117 -0.003 0.000 1.080 541 I CA 1.409 62.691 61.300 -0.031 0.000 1.339 541 I CB -1.622 36.309 38.000 -0.114 0.000 1.039 541 I HN 0.314 nan 8.210 nan 0.000 0.409 542 E N 0.422 120.601 120.200 -0.035 0.000 2.072 542 E HA -0.160 4.194 4.350 0.006 0.000 0.191 542 E C 2.318 178.847 176.600 -0.117 0.000 0.985 542 E CA 1.066 57.400 56.400 -0.110 0.000 0.801 542 E CB -0.451 29.124 29.700 -0.209 0.000 0.750 542 E HN 0.396 nan 8.360 nan 0.000 0.452 543 F N 1.340 121.299 119.950 0.014 0.000 2.095 543 F HA -0.210 4.320 4.527 0.006 0.000 0.298 543 F C 2.500 178.311 175.800 0.019 0.000 1.104 543 F CA 1.234 59.245 58.000 0.018 0.000 1.232 543 F CB -1.022 37.989 39.000 0.018 0.000 0.987 543 F HN 0.010 nan 8.300 nan 0.000 0.475 544 A N 0.040 122.976 122.820 0.193 0.000 1.883 544 A HA -0.253 4.071 4.320 0.006 0.000 0.217 544 A C 2.222 179.850 177.584 0.073 0.000 1.186 544 A CA 2.070 54.173 52.037 0.110 0.000 0.624 544 A CB -0.771 18.270 19.000 0.069 0.000 0.822 544 A HN 0.368 nan 8.150 nan 0.000 0.444 545 K N -0.253 120.174 120.400 0.045 0.000 2.032 545 K HA -0.127 4.196 4.320 0.006 0.000 0.209 545 K C 1.865 178.492 176.600 0.045 0.000 1.048 545 K CA 1.537 57.841 56.287 0.029 0.000 0.927 545 K CB -0.149 32.355 32.500 0.006 0.000 0.712 545 K HN 0.256 nan 8.250 nan 0.000 0.441 546 K N 0.311 120.739 120.400 0.046 0.000 2.515 546 K HA -0.009 4.315 4.320 0.006 0.000 0.196 546 K C 1.324 177.980 176.600 0.093 0.000 1.038 546 K CA 0.773 57.093 56.287 0.056 0.000 0.967 546 K CB 0.089 32.609 32.500 0.034 0.000 0.780 546 K HN 0.278 nan 8.250 nan 0.000 0.483 547 M N 0.639 120.305 119.600 0.109 0.000 2.493 547 M HA 0.055 4.539 4.480 0.006 0.000 0.244 547 M C -0.490 175.892 176.300 0.137 0.000 1.182 547 M CA 0.022 55.394 55.300 0.120 0.000 0.981 547 M CB 0.159 32.832 32.600 0.121 0.000 1.551 547 M HN 0.031 nan 8.290 nan 0.000 0.476 548 N N 0.361 119.134 118.700 0.122 0.000 2.850 548 N HA -0.132 4.612 4.740 0.006 0.000 0.249 548 N C -0.783 174.769 175.510 0.071 0.000 1.060 548 N CA 0.704 53.843 53.050 0.149 0.000 0.825 548 N CB -1.668 37.008 38.487 0.315 0.000 1.132 548 N HN 0.400 nan 8.380 nan 0.000 0.564 549 L N 0.894 122.138 121.223 0.035 0.000 2.326 549 L HA 0.482 4.826 4.340 0.006 0.000 0.278 549 L C 1.188 178.041 176.870 -0.027 0.000 1.092 549 L CA -0.117 54.711 54.840 -0.021 0.000 0.810 549 L CB 0.762 42.819 42.059 -0.003 0.000 1.153 549 L HN 0.253 nan 8.230 nan 0.000 0.439 550 E N 1.189 121.354 120.200 -0.059 0.000 2.250 550 E HA 0.526 4.879 4.350 0.006 0.000 0.265 550 E C 0.640 177.213 176.600 -0.045 0.000 1.033 550 E CA -0.001 56.371 56.400 -0.046 0.000 0.888 550 E CB 0.921 30.586 29.700 -0.058 0.000 1.151 550 E HN 0.801 nan 8.360 nan 0.000 0.412 551 E N -1.260 118.919 120.200 -0.034 0.000 2.586 551 E HA -0.086 4.268 4.350 0.006 0.000 0.259 551 E C 0.323 176.905 176.600 -0.030 0.000 1.107 551 E CA 0.809 57.189 56.400 -0.033 0.000 0.754 551 E CB -2.843 26.833 29.700 -0.041 0.000 1.335 551 E HN 1.354 nan 8.360 nan 0.000 0.411 552 V N 0.565 120.463 119.914 -0.028 0.000 2.529 552 V HA 0.391 4.515 4.120 0.006 0.000 0.292 552 V C 0.685 176.757 176.094 -0.035 0.000 1.028 552 V CA 0.959 63.245 62.300 -0.024 0.000 1.074 552 V CB 0.943 32.752 31.823 -0.023 0.000 0.958 552 V HN 0.593 nan 8.190 nan 0.000 0.481 553 E N 3.670 123.854 120.200 -0.026 0.000 2.263 553 E HA 0.439 4.792 4.350 0.006 0.000 0.268 553 E C -1.268 175.308 176.600 -0.039 0.000 0.884 553 E CA -0.939 55.435 56.400 -0.043 0.000 0.766 553 E CB 2.259 31.941 29.700 -0.030 0.000 1.196 553 E HN 0.368 nan 8.360 nan 0.000 0.416 554 V N 3.996 123.867 119.914 -0.072 0.000 2.540 554 V HA -0.030 4.094 4.120 0.006 0.000 0.297 554 V C 1.026 177.090 176.094 -0.050 0.000 1.024 554 V CA 0.767 63.030 62.300 -0.061 0.000 1.105 554 V CB -0.163 31.604 31.823 -0.093 0.000 0.938 554 V HN 0.710 nan 8.190 nan 0.000 0.482 555 I N 0.937 121.482 120.570 -0.041 0.000 4.154 555 I HA 0.516 4.690 4.170 0.006 0.000 0.334 555 I C 0.370 176.445 176.117 -0.070 0.000 1.371 555 I CA 0.019 61.284 61.300 -0.058 0.000 1.110 555 I CB 0.492 38.450 38.000 -0.069 0.000 1.085 555 I HN 0.585 nan 8.210 nan 0.000 0.398 556 N N 1.497 120.165 118.700 -0.053 0.000 2.554 556 N HA 0.441 5.185 4.740 0.006 0.000 0.271 556 N C -1.597 173.896 175.510 -0.027 0.000 1.081 556 N CA -0.470 52.550 53.050 -0.049 0.000 0.994 556 N CB 1.561 40.008 38.487 -0.067 0.000 1.641 556 N HN 0.128 nan 8.380 nan 0.000 0.511 557 R N 1.645 122.134 120.500 -0.019 0.000 2.513 557 R HA 0.550 4.894 4.340 0.006 0.000 0.301 557 R C -0.887 175.414 176.300 0.001 0.000 0.968 557 R CA -0.688 55.408 56.100 -0.005 0.000 0.872 557 R CB 1.877 32.178 30.300 0.000 0.000 1.177 557 R HN 0.427 nan 8.270 nan 0.000 0.444 558 E N 1.890 122.097 120.200 0.012 0.000 2.234 558 E HA 0.283 4.637 4.350 0.006 0.000 0.266 558 E C -0.845 175.776 176.600 0.035 0.000 0.877 558 E CA -1.027 55.385 56.400 0.020 0.000 0.758 558 E CB 2.906 32.619 29.700 0.022 0.000 1.170 558 E HN 0.147 nan 8.360 nan 0.000 0.415 559 V N 5.075 125.008 119.914 0.032 0.000 2.405 559 V HA -0.027 4.097 4.120 0.006 0.000 0.264 559 V C 1.240 177.371 176.094 0.061 0.000 1.048 559 V CA -0.010 62.314 62.300 0.041 0.000 0.966 559 V CB 0.526 32.366 31.823 0.028 0.000 1.015 559 V HN 0.766 nan 8.190 nan 0.000 0.477 560 M N 2.119 121.783 119.600 0.106 0.000 2.074 560 M HA 0.012 4.495 4.480 0.006 0.000 0.259 560 M C 0.858 177.210 176.300 0.087 0.000 1.079 560 M CA 1.698 57.072 55.300 0.124 0.000 1.119 560 M CB -0.475 32.272 32.600 0.245 0.000 1.297 560 M HN 0.651 nan 8.290 nan 0.000 0.416 561 Q N -0.083 119.775 119.800 0.096 0.000 2.345 561 Q HA 0.141 4.485 4.340 0.006 0.000 0.275 561 Q C 0.194 176.226 176.000 0.054 0.000 1.063 561 Q CA -0.053 55.787 55.803 0.061 0.000 0.819 561 Q CB 2.494 31.265 28.738 0.056 0.000 1.356 561 Q HN 0.445 nan 8.270 nan 0.000 0.418 562 E N 2.312 122.533 120.200 0.035 0.000 2.113 562 E HA -0.314 4.040 4.350 0.006 0.000 0.210 562 E C 0.979 177.593 176.600 0.024 0.000 1.040 562 E CA 2.382 58.797 56.400 0.024 0.000 0.847 562 E CB 0.176 29.887 29.700 0.018 0.000 0.755 562 E HN 0.650 nan 8.360 nan 0.000 0.459 563 A N 0.314 123.151 122.820 0.030 0.000 1.943 563 A HA -0.056 4.268 4.320 0.006 0.000 0.213 563 A C 1.902 179.514 177.584 0.046 0.000 1.181 563 A CA 0.838 52.893 52.037 0.030 0.000 0.653 563 A CB -0.106 18.910 19.000 0.027 0.000 0.833 563 A HN 0.189 nan 8.150 nan 0.000 0.451 564 E N -0.374 119.871 120.200 0.075 0.000 2.285 564 E HA 0.253 4.607 4.350 0.006 0.000 0.194 564 E C 1.054 177.773 176.600 0.199 0.000 0.997 564 E CA 0.927 57.406 56.400 0.131 0.000 0.845 564 E CB -0.028 29.756 29.700 0.141 0.000 0.782 564 E HN 0.644 nan 8.360 nan 0.000 0.491 565 G N -0.600 108.271 108.800 0.119 0.000 2.357 565 G HA2 0.092 4.056 3.960 0.006 0.000 0.289 565 G HA3 0.092 4.056 3.960 0.006 0.000 0.289 565 G C -1.103 173.776 174.900 -0.034 0.000 1.302 565 G CA -0.506 44.549 45.100 -0.075 0.000 0.936 565 G HN -0.034 nan 8.290 nan 0.000 0.513 566 T N -0.033 114.344 114.554 -0.295 0.000 2.952 566 T HA 0.620 4.974 4.350 0.006 0.000 0.305 566 T C -0.037 174.606 174.700 -0.095 0.000 1.064 566 T CA -0.682 61.355 62.100 -0.104 0.000 1.008 566 T CB 2.097 70.910 68.868 -0.093 0.000 1.078 566 T HN 0.768 nan 8.240 nan 0.000 0.459 567 R N 2.692 123.236 120.500 0.074 0.000 2.441 567 R HA 0.572 4.916 4.340 0.006 0.000 0.284 567 R C -0.907 175.407 176.300 0.023 0.000 1.070 567 R CA -0.355 55.799 56.100 0.090 0.000 1.047 567 R CB 0.340 30.703 30.300 0.105 0.000 1.016 567 R HN 0.430 nan 8.270 nan 0.000 0.477 568 I N 3.208 123.788 120.570 0.016 0.000 2.569 568 I HA 0.280 4.454 4.170 0.006 0.000 0.290 568 I C -0.727 175.397 176.117 0.013 0.000 1.088 568 I CA -0.652 60.650 61.300 0.004 0.000 1.047 568 I CB 2.089 40.087 38.000 -0.004 0.000 1.237 568 I HN 0.777 nan 8.210 nan 0.000 0.421 569 E N 5.653 125.855 120.200 0.003 0.000 2.199 569 E HA 0.730 5.084 4.350 0.006 0.000 0.269 569 E C -1.424 175.182 176.600 0.010 0.000 0.899 569 E CA -0.717 55.690 56.400 0.011 0.000 0.772 569 E CB 2.737 32.437 29.700 0.000 0.000 1.155 569 E HN 0.245 nan 8.360 nan 0.000 0.408 570 L N 2.114 123.358 121.223 0.035 0.000 2.370 570 L HA 0.452 4.796 4.340 0.006 0.000 0.266 570 L C -0.497 176.428 176.870 0.092 0.000 1.002 570 L CA -0.874 53.991 54.840 0.040 0.000 0.818 570 L CB 1.439 43.515 42.059 0.029 0.000 1.325 570 L HN 0.417 nan 8.230 nan 0.000 0.418 571 K N 0.385 120.848 120.400 0.105 0.000 2.164 571 K HA 0.943 5.267 4.320 0.006 0.000 0.258 571 K C -0.444 176.192 176.600 0.059 0.000 0.951 571 K CA -0.600 55.780 56.287 0.155 0.000 0.844 571 K CB 2.140 34.809 32.500 0.281 0.000 1.099 571 K HN 0.696 nan 8.250 nan 0.000 0.435 572 G N 1.393 110.206 108.800 0.021 0.000 2.687 572 G HA2 0.450 4.413 3.960 0.006 0.000 0.291 572 G HA3 0.450 4.413 3.960 0.006 0.000 0.291 572 G C -1.800 173.056 174.900 -0.073 0.000 1.420 572 G CA -1.152 43.934 45.100 -0.024 0.000 0.796 572 G HN 0.709 nan 8.290 nan 0.000 0.485 573 R N -0.245 120.195 120.500 -0.099 0.000 2.562 573 R HA 0.653 4.997 4.340 0.006 0.000 0.298 573 R C -1.234 174.941 176.300 -0.209 0.000 0.961 573 R CA -0.530 55.480 56.100 -0.150 0.000 0.881 573 R CB 2.069 32.287 30.300 -0.137 0.000 1.159 573 R HN 0.316 nan 8.270 nan 0.000 0.450 574 V N 6.399 126.148 119.914 -0.275 0.000 2.461 574 V HA 0.254 4.377 4.120 0.006 0.000 0.275 574 V C -1.439 174.321 176.094 -0.558 0.000 1.047 574 V CA -1.334 60.664 62.300 -0.504 0.000 0.955 574 V CB 1.527 33.087 31.823 -0.438 0.000 0.988 574 V HN 0.869 nan 8.190 nan 0.000 0.471 575 P HA 0.127 nan 4.420 nan 0.000 0.257 575 P C -0.234 176.920 177.300 -0.244 0.000 1.241 575 P CA 0.329 63.199 63.100 -0.383 0.000 0.816 575 P CB 0.214 31.779 31.700 -0.226 0.000 1.150 576 F N -1.882 118.091 119.950 0.038 0.000 2.618 576 F HA 0.798 5.325 4.527 0.001 0.000 0.332 576 F C 0.326 176.169 175.800 0.071 0.000 1.061 576 F CA -1.703 56.325 58.000 0.048 0.000 0.974 576 F CB 0.186 39.204 39.000 0.031 0.000 1.310 576 F HN -0.418 nan 8.300 nan 0.000 0.491 577 S N 0.384 116.289 115.700 0.340 0.000 2.704 577 S HA 0.801 5.274 4.470 0.006 0.000 0.305 577 S C -1.293 173.418 174.600 0.186 0.000 1.107 577 S CA -0.551 57.798 58.200 0.249 0.000 0.993 577 S CB 1.353 64.649 63.200 0.161 0.000 1.110 577 S HN 0.428 nan 8.310 nan 0.000 0.534 578 I N 2.426 123.075 120.570 0.130 0.000 2.499 578 I HA 0.308 4.481 4.170 0.006 0.000 0.288 578 I C -0.801 175.333 176.117 0.029 0.000 1.048 578 I CA -0.902 60.440 61.300 0.070 0.000 1.062 578 I CB 1.803 39.850 38.000 0.079 0.000 1.238 578 I HN 0.580 nan 8.210 nan 0.000 0.426 579 D N 6.500 126.900 120.400 0.001 0.000 2.339 579 D HA 0.186 4.829 4.640 0.006 0.000 0.241 579 D C 1.308 177.602 176.300 -0.009 0.000 1.183 579 D CA -0.296 53.693 54.000 -0.020 0.000 0.859 579 D CB 0.914 41.695 40.800 -0.031 0.000 1.067 579 D HN 0.225 nan 8.370 nan 0.000 0.484 580 I N 3.695 124.261 120.570 -0.007 0.000 2.185 580 I HA -0.303 3.871 4.170 0.006 0.000 0.246 580 I C 1.644 177.757 176.117 -0.008 0.000 1.088 580 I CA 1.063 62.361 61.300 -0.002 0.000 1.347 580 I CB -0.916 37.083 38.000 -0.001 0.000 1.041 580 I HN 0.546 nan 8.210 nan 0.000 0.415 581 N N 0.515 119.207 118.700 -0.014 0.000 2.453 581 N HA -0.085 4.659 4.740 0.006 0.000 0.183 581 N C 1.688 177.190 175.510 -0.014 0.000 1.041 581 N CA 0.836 53.877 53.050 -0.014 0.000 0.900 581 N CB -0.180 38.296 38.487 -0.018 0.000 0.961 581 N HN 0.310 nan 8.380 nan 0.000 0.443 582 S N 0.290 115.982 115.700 -0.014 0.000 2.562 582 S HA 0.147 4.621 4.470 0.006 0.000 0.221 582 S C 0.851 175.444 174.600 -0.011 0.000 0.975 582 S CA -0.049 58.142 58.200 -0.014 0.000 0.918 582 S CB 0.235 63.426 63.200 -0.016 0.000 0.772 582 S HN 0.209 nan 8.310 nan 0.000 0.531 583 L N 2.142 123.360 121.223 -0.008 0.000 2.349 583 L HA 0.295 4.639 4.340 0.006 0.000 0.275 583 L C -0.359 176.507 176.870 -0.007 0.000 1.115 583 L CA -0.578 54.259 54.840 -0.006 0.000 0.820 583 L CB 0.877 42.935 42.059 -0.001 0.000 1.135 583 L HN -0.061 nan 8.230 nan 0.000 0.445 584 V N 5.189 125.099 119.914 -0.007 0.000 2.334 584 V HA 0.329 4.453 4.120 0.006 0.000 0.267 584 V C 0.200 176.291 176.094 -0.005 0.000 1.040 584 V CA -0.076 62.220 62.300 -0.007 0.000 0.866 584 V CB 0.538 32.356 31.823 -0.008 0.000 1.019 584 V HN 0.472 nan 8.190 nan 0.000 0.468 585 I N 6.647 127.215 120.570 -0.005 0.000 2.448 585 I HA 0.386 4.560 4.170 0.006 0.000 0.281 585 I C -2.098 174.017 176.117 -0.003 0.000 1.027 585 I CA -1.548 59.751 61.300 -0.003 0.000 1.111 585 I CB 1.999 39.998 38.000 -0.002 0.000 1.236 585 I HN 0.481 nan 8.210 nan 0.000 0.452 586 P HA 0.350 nan 4.420 nan 0.000 0.272 586 P C -2.150 175.149 177.300 -0.002 0.000 1.230 586 P CA -0.682 62.416 63.100 -0.003 0.000 0.788 586 P CB -0.361 31.337 31.700 -0.004 0.000 0.949 592 L N 5.474 126.705 121.223 0.013 0.000 2.367 592 L HA 0.429 4.772 4.340 0.006 0.000 0.275 592 L C 0.844 177.710 176.870 -0.005 0.000 1.129 592 L CA -0.087 54.752 54.840 -0.003 0.000 0.839 592 L CB 1.341 43.388 42.059 -0.019 0.000 1.133 592 L HN 0.703 nan 8.230 nan 0.000 0.453 593 S N 1.522 117.221 115.700 -0.002 0.000 2.593 593 S HA 0.174 4.648 4.470 0.006 0.000 0.269 593 S C 1.222 175.821 174.600 -0.002 0.000 1.334 593 S CA 0.051 58.257 58.200 0.010 0.000 1.015 593 S CB 1.458 64.669 63.200 0.017 0.000 0.912 593 S HN 0.715 nan 8.310 nan 0.000 0.541 594 E N 1.098 121.324 120.200 0.044 0.000 2.085 594 E HA -0.218 4.136 4.350 0.006 0.000 0.194 594 E C 1.526 178.193 176.600 0.111 0.000 0.994 594 E CA 1.928 58.397 56.400 0.114 0.000 0.801 594 E CB -1.428 28.423 29.700 0.252 0.000 0.743 594 E HN 0.845 nan 8.360 nan 0.000 0.453 595 D N -0.299 120.149 120.400 0.081 0.000 2.182 595 D HA -0.088 4.556 4.640 0.006 0.000 0.201 595 D C 2.212 178.535 176.300 0.039 0.000 0.986 595 D CA 1.940 55.977 54.000 0.063 0.000 0.847 595 D CB -0.068 40.758 40.800 0.042 0.000 0.942 595 D HN 0.703 nan 8.370 nan 0.000 0.467 596 E N 0.884 121.093 120.200 0.015 0.000 2.122 596 E HA -0.003 4.351 4.350 0.006 0.000 0.190 596 E C 2.189 178.773 176.600 -0.025 0.000 0.977 596 E CA 0.140 56.538 56.400 -0.003 0.000 0.820 596 E CB -0.638 29.057 29.700 -0.008 0.000 0.770 596 E HN 0.217 nan 8.360 nan 0.000 0.462 597 I N 0.133 120.664 120.570 -0.065 0.000 2.208 597 I HA -0.249 3.924 4.170 0.006 0.000 0.245 597 I C 2.883 178.967 176.117 -0.055 0.000 1.097 597 I CA 1.911 63.129 61.300 -0.137 0.000 1.363 597 I CB -0.319 37.455 38.000 -0.377 0.000 1.051 597 I HN 0.261 nan 8.210 nan 0.000 0.413 598 R N 1.068 121.590 120.500 0.037 0.000 2.093 598 R HA -0.127 4.217 4.340 0.006 0.000 0.224 598 R C 2.463 178.794 176.300 0.051 0.000 1.101 598 R CA 1.485 57.647 56.100 0.104 0.000 0.979 598 R CB -0.092 30.308 30.300 0.167 0.000 0.877 598 R HN 0.411 nan 8.270 nan 0.000 0.441 599 E N 1.265 121.483 120.200 0.030 0.000 2.077 599 E HA -0.236 4.118 4.350 0.006 0.000 0.193 599 E C 1.564 178.169 176.600 0.008 0.000 0.989 599 E CA 1.497 57.908 56.400 0.017 0.000 0.800 599 E CB -0.869 28.839 29.700 0.012 0.000 0.746 599 E HN 0.479 nan 8.360 nan 0.000 0.452 600 D N 0.389 120.787 120.400 -0.003 0.000 2.104 600 D HA -0.124 4.520 4.640 0.006 0.000 0.194 600 D C 1.915 178.211 176.300 -0.007 0.000 0.994 600 D CA 1.548 55.541 54.000 -0.012 0.000 0.830 600 D CB -0.258 40.525 40.800 -0.029 0.000 0.959 600 D HN 0.518 nan 8.370 nan 0.000 0.452 601 I N 0.581 121.152 120.570 0.001 0.000 2.406 601 I HA -0.105 4.069 4.170 0.006 0.000 0.249 601 I C 2.875 179.002 176.117 0.017 0.000 1.122 601 I CA 1.204 62.510 61.300 0.010 0.000 1.431 601 I CB -0.666 37.349 38.000 0.026 0.000 1.087 601 I HN 0.072 nan 8.210 nan 0.000 0.424 602 E N 2.052 122.265 120.200 0.022 0.000 2.058 602 E HA -0.289 4.065 4.350 0.006 0.000 0.194 602 E C 2.106 178.714 176.600 0.012 0.000 0.997 602 E CA 1.920 58.331 56.400 0.019 0.000 0.801 602 E CB -0.688 29.024 29.700 0.020 0.000 0.746 602 E HN 0.550 nan 8.360 nan 0.000 0.450 603 K N -0.362 120.044 120.400 0.008 0.000 2.057 603 K HA 0.001 4.325 4.320 0.006 0.000 0.206 603 K C 0.449 177.052 176.600 0.004 0.000 1.050 603 K CA 1.356 57.647 56.287 0.005 0.000 0.935 603 K CB 0.231 32.733 32.500 0.003 0.000 0.715 603 K HN 0.343 nan 8.250 nan 0.000 0.439 604 T N 2.786 117.341 114.554 0.002 0.000 2.864 604 T HA 0.295 4.649 4.350 0.006 0.000 0.310 604 T C -2.667 172.034 174.700 0.002 0.000 1.040 604 T CA -1.848 60.252 62.100 -0.000 0.000 0.977 604 T CB 1.743 70.608 68.868 -0.006 0.000 0.976 604 T HN -0.175 nan 8.240 nan 0.000 0.459 605 P HA 0.213 nan 4.420 nan 0.000 0.268 605 P C -0.916 176.391 177.300 0.012 0.000 1.208 605 P CA -0.610 62.498 63.100 0.014 0.000 0.777 605 P CB 0.440 32.151 31.700 0.018 0.000 0.875 606 L N 2.963 124.197 121.223 0.018 0.000 2.446 606 L HA 0.456 4.800 4.340 0.006 0.000 0.268 606 L C -0.677 176.216 176.870 0.037 0.000 0.975 606 L CA -0.509 54.340 54.840 0.016 0.000 0.848 606 L CB 0.845 42.904 42.059 -0.001 0.000 1.225 606 L HN 0.183 nan 8.230 nan 0.000 0.410 607 K N 4.176 124.606 120.400 0.050 0.000 2.203 607 K HA 0.803 5.127 4.320 0.006 0.000 0.251 607 K C -1.580 175.074 176.600 0.090 0.000 0.944 607 K CA -0.706 55.636 56.287 0.092 0.000 0.829 607 K CB 1.784 34.344 32.500 0.100 0.000 1.125 607 K HN 0.571 nan 8.250 nan 0.000 0.430 608 I N 2.267 122.916 120.570 0.132 0.000 2.913 608 I HA 0.248 4.422 4.170 0.006 0.000 0.302 608 I C -1.194 175.017 176.117 0.158 0.000 1.246 608 I CA -0.731 60.639 61.300 0.117 0.000 1.010 608 I CB 2.245 40.302 38.000 0.095 0.000 1.259 608 I HN 0.391 nan 8.210 nan 0.000 0.434 609 V N 1.800 121.793 119.914 0.133 0.000 2.680 609 V HA 1.057 5.180 4.120 0.006 0.000 0.309 609 V C -0.602 175.578 176.094 0.144 0.000 1.052 609 V CA -0.678 61.709 62.300 0.145 0.000 0.908 609 V CB 1.447 33.330 31.823 0.099 0.000 1.001 609 V HN 1.039 nan 8.190 nan 0.000 0.431 610 A N 2.862 125.786 122.820 0.174 0.000 2.459 610 A HA 1.051 5.375 4.320 0.006 0.000 0.296 610 A C -0.375 177.350 177.584 0.235 0.000 1.039 610 A CA -0.003 52.161 52.037 0.211 0.000 0.698 610 A CB 1.510 20.654 19.000 0.240 0.000 1.261 610 A HN 2.577 nan 8.150 nan 0.000 0.405 611 A N 0.902 123.828 122.820 0.178 0.000 2.612 611 A HA 0.832 5.155 4.320 0.006 0.000 0.293 611 A C -0.434 177.233 177.584 0.138 0.000 1.075 611 A CA -0.431 51.671 52.037 0.109 0.000 0.680 611 A CB 0.933 19.928 19.000 -0.008 0.000 1.279 611 A HN 0.942 nan 8.150 nan 0.000 0.411 612 T N 1.387 116.019 114.554 0.129 0.000 2.729 612 T HA 0.473 4.827 4.350 0.006 0.000 0.296 612 T C -0.006 174.738 174.700 0.074 0.000 0.928 612 T CA -0.002 62.167 62.100 0.115 0.000 1.045 612 T CB 0.602 69.549 68.868 0.133 0.000 0.902 612 T HN 0.537 nan 8.240 nan 0.000 0.500 613 V N 3.542 123.500 119.914 0.073 0.000 2.863 613 V HA 0.762 4.886 4.120 0.006 0.000 0.307 613 V C 1.114 177.242 176.094 0.056 0.000 1.061 613 V CA 1.012 63.346 62.300 0.057 0.000 1.024 613 V CB 1.084 32.943 31.823 0.061 0.000 1.049 613 V HN 1.218 nan 8.190 nan 0.000 0.471 614 G N 3.499 112.325 108.800 0.045 0.000 2.496 614 G HA2 -0.178 3.786 3.960 0.006 0.000 0.243 614 G HA3 -0.178 3.786 3.960 0.006 0.000 0.243 614 G C 0.017 174.943 174.900 0.042 0.000 1.176 614 G CA 0.143 45.270 45.100 0.045 0.000 0.940 614 G HN 0.646 nan 8.290 nan 0.000 0.573 615 E N 1.747 121.977 120.200 0.050 0.000 2.989 615 E HA 0.331 4.685 4.350 0.006 0.000 0.224 615 E C -1.126 175.512 176.600 0.064 0.000 1.175 615 E CA -0.206 56.221 56.400 0.047 0.000 1.300 615 E CB 0.563 30.289 29.700 0.043 0.000 1.422 615 E HN 0.347 nan 8.360 nan 0.000 0.439 616 D N 1.163 121.606 120.400 0.072 0.000 2.542 616 D HA 0.101 4.745 4.640 0.006 0.000 0.252 616 D C 0.168 176.522 176.300 0.089 0.000 1.222 616 D CA -0.340 53.732 54.000 0.120 0.000 0.895 616 D CB 1.118 42.006 40.800 0.147 0.000 1.207 616 D HN -0.061 nan 8.370 nan 0.000 0.558 617 E N 1.927 122.138 120.200 0.018 0.000 2.437 617 E HA 0.027 4.381 4.350 0.006 0.000 0.189 617 E C -0.290 176.246 176.600 -0.107 0.000 1.054 617 E CA -0.118 56.247 56.400 -0.058 0.000 0.874 617 E CB -0.181 29.458 29.700 -0.102 0.000 1.011 617 E HN 0.487 nan 8.360 nan 0.000 0.474 618 H N 0.343 119.433 119.070 0.033 0.000 3.109 618 H HA 0.059 4.619 4.556 0.006 0.000 0.266 618 H C 1.458 176.816 175.328 0.050 0.000 1.334 618 H CA 0.110 56.178 56.048 0.033 0.000 1.456 618 H CB 0.476 30.251 29.762 0.023 0.000 1.587 618 H HN -0.004 nan 8.280 nan 0.000 0.500 619 S N 1.031 116.807 115.700 0.127 0.000 2.458 619 S HA -0.086 4.388 4.470 0.006 0.000 0.223 619 S C 2.029 176.681 174.600 0.087 0.000 1.019 619 S CA 0.370 58.647 58.200 0.129 0.000 0.937 619 S CB -0.160 63.120 63.200 0.133 0.000 0.788 619 S HN 0.352 nan 8.310 nan 0.000 0.511 620 V N 2.671 122.629 119.914 0.073 0.000 2.282 620 V HA -0.159 3.965 4.120 0.006 0.000 0.249 620 V C 2.928 179.042 176.094 0.034 0.000 1.057 620 V CA 2.156 64.481 62.300 0.043 0.000 1.032 620 V CB -1.711 30.143 31.823 0.052 0.000 0.645 620 V HN 0.658 nan 8.190 nan 0.000 0.447 621 G N -0.249 108.583 108.800 0.053 0.000 2.514 621 G HA2 -0.309 3.655 3.960 0.006 0.000 0.217 621 G HA3 -0.309 3.655 3.960 0.006 0.000 0.217 621 G C 1.557 176.472 174.900 0.025 0.000 1.198 621 G CA 1.362 46.487 45.100 0.042 0.000 0.780 621 G HN 0.433 nan 8.290 nan 0.000 0.565 622 L N 0.839 122.081 121.223 0.033 0.000 2.046 622 L HA 0.051 4.395 4.340 0.006 0.000 0.208 622 L C 2.849 179.682 176.870 -0.060 0.000 1.077 622 L CA 1.663 56.510 54.840 0.012 0.000 0.747 622 L CB -0.727 41.373 42.059 0.068 0.000 0.896 622 L HN 0.199 nan 8.230 nan 0.000 0.432 623 R N -0.696 119.745 120.500 -0.099 0.000 2.115 623 R HA -0.109 4.235 4.340 0.006 0.000 0.230 623 R C 2.041 178.279 176.300 -0.102 0.000 1.111 623 R CA 0.948 56.946 56.100 -0.169 0.000 0.976 623 R CB -0.291 29.897 30.300 -0.186 0.000 0.870 623 R HN 0.387 nan 8.270 nan 0.000 0.445 624 E N 0.476 120.650 120.200 -0.044 0.000 2.118 624 E HA -0.141 4.213 4.350 0.006 0.000 0.195 624 E C 1.910 178.502 176.600 -0.013 0.000 0.992 624 E CA 1.590 57.987 56.400 -0.005 0.000 0.804 624 E CB 0.006 29.730 29.700 0.040 0.000 0.741 624 E HN 0.316 nan 8.360 nan 0.000 0.458 625 V N -2.062 117.834 119.914 -0.030 0.000 3.649 625 V HA 0.132 4.256 4.120 0.006 0.000 0.275 625 V C 1.682 177.746 176.094 -0.051 0.000 1.281 625 V CA 0.371 62.647 62.300 -0.040 0.000 1.143 625 V CB -0.283 31.502 31.823 -0.062 0.000 0.892 625 V HN 0.044 nan 8.190 nan 0.000 0.441 626 I N -0.403 120.122 120.570 -0.075 0.000 2.899 626 I HA 0.190 4.364 4.170 0.006 0.000 0.257 626 I C 0.477 176.532 176.117 -0.102 0.000 1.115 626 I CA 0.047 61.293 61.300 -0.090 0.000 1.451 626 I CB -0.033 37.881 38.000 -0.143 0.000 1.251 626 I HN 0.209 nan 8.210 nan 0.000 0.456 627 D N 2.203 122.529 120.400 -0.124 0.000 2.455 627 D HA -0.007 4.637 4.640 0.006 0.000 0.241 627 D C 1.148 177.372 176.300 -0.126 0.000 1.138 627 D CA 0.365 54.285 54.000 -0.133 0.000 0.877 627 D CB 1.620 42.329 40.800 -0.151 0.000 1.187 627 D HN 0.187 nan 8.370 nan 0.000 0.451 628 I N 1.780 122.273 120.570 -0.130 0.000 2.315 628 I HA -0.376 3.797 4.170 0.006 0.000 0.251 628 I C 2.195 178.230 176.117 -0.138 0.000 1.125 628 I CA 1.505 62.722 61.300 -0.139 0.000 1.392 628 I CB 0.141 38.064 38.000 -0.130 0.000 1.065 628 I HN 0.241 nan 8.210 nan 0.000 0.424 629 K N 1.114 121.414 120.400 -0.167 0.000 2.032 629 K HA -0.268 4.056 4.320 0.006 0.000 0.218 629 K C 1.007 177.508 176.600 -0.164 0.000 1.054 629 K CA 2.165 58.316 56.287 -0.228 0.000 0.941 629 K CB -0.544 31.726 32.500 -0.383 0.000 0.720 629 K HN 0.599 nan 8.250 nan 0.000 0.449 630 H N -1.690 117.339 119.070 -0.069 0.000 2.539 630 H HA 0.320 4.880 4.556 0.007 0.000 0.293 630 H C 0.104 175.389 175.328 -0.072 0.000 1.156 630 H CA -0.231 55.780 56.048 -0.061 0.000 1.012 630 H CB 0.347 30.083 29.762 -0.044 0.000 1.600 630 H HN 0.542 nan 8.280 nan 0.000 0.538 631 G N 0.839 109.635 108.800 -0.007 0.000 2.198 631 G HA2 -0.250 3.714 3.960 0.006 0.000 0.257 631 G HA3 -0.250 3.714 3.960 0.006 0.000 0.257 631 G C 0.668 175.529 174.900 -0.065 0.000 1.042 631 G CA -0.040 45.015 45.100 -0.075 0.000 0.791 631 G HN 0.688 nan 8.290 nan 0.000 0.502 632 G N -0.476 108.283 108.800 -0.068 0.000 2.651 632 G HA2 0.551 4.515 3.960 0.006 0.000 0.260 632 G HA3 0.551 4.515 3.960 0.006 0.000 0.260 632 G C 1.506 176.383 174.900 -0.038 0.000 1.216 632 G CA -0.248 44.826 45.100 -0.043 0.000 0.913 632 G HN 1.185 nan 8.290 nan 0.000 0.535 633 I N -2.347 118.241 120.570 0.031 0.000 2.700 633 I HA -0.096 4.078 4.170 0.006 0.000 0.261 633 I C 1.762 177.913 176.117 0.057 0.000 1.219 633 I CA 1.505 62.884 61.300 0.133 0.000 1.463 633 I CB -0.298 37.767 38.000 0.107 0.000 1.092 633 I HN 0.586 nan 8.210 nan 0.000 0.452 634 E N 2.130 122.310 120.200 -0.033 0.000 2.171 634 E HA -0.288 4.066 4.350 0.006 0.000 0.197 634 E C 2.078 178.611 176.600 -0.111 0.000 0.997 634 E CA 1.809 58.172 56.400 -0.062 0.000 0.810 634 E CB -0.194 29.454 29.700 -0.086 0.000 0.738 634 E HN 0.655 nan 8.360 nan 0.000 0.467 635 K N 0.443 120.705 120.400 -0.231 0.000 2.281 635 K HA -0.182 4.142 4.320 0.006 0.000 0.203 635 K C 0.758 177.095 176.600 -0.440 0.000 1.046 635 K CA 1.309 57.353 56.287 -0.405 0.000 0.938 635 K CB -0.043 32.081 32.500 -0.625 0.000 0.737 635 K HN 0.147 nan 8.250 nan 0.000 0.458 636 Y N -0.225 120.060 120.300 -0.025 0.000 2.607 636 Y HA 0.332 4.886 4.550 0.006 0.000 0.266 636 Y C 1.132 177.021 175.900 -0.018 0.000 1.178 636 Y CA -0.333 57.755 58.100 -0.019 0.000 1.226 636 Y CB 0.749 39.199 38.460 -0.018 0.000 1.144 636 Y HN 0.252 nan 8.280 nan 0.000 0.528 637 G N 0.374 109.213 108.800 0.066 0.000 2.168 637 G HA2 -0.295 3.669 3.960 0.006 0.000 0.257 637 G HA3 -0.295 3.669 3.960 0.006 0.000 0.257 637 G C 0.070 174.996 174.900 0.044 0.000 0.997 637 G CA 0.287 45.410 45.100 0.039 0.000 0.708 637 G HN 0.160 nan 8.290 nan 0.000 0.520 638 V N 0.453 120.403 119.914 0.060 0.000 2.655 638 V HA 0.209 4.332 4.120 0.006 0.000 0.300 638 V C 1.010 177.119 176.094 0.026 0.000 1.044 638 V CA 0.139 62.467 62.300 0.046 0.000 1.095 638 V CB 1.539 33.394 31.823 0.054 0.000 0.952 638 V HN 0.449 nan 8.190 nan 0.000 0.485 639 E N 3.333 123.552 120.200 0.032 0.000 2.229 639 E HA 0.405 4.759 4.350 0.006 0.000 0.283 639 E C -1.264 175.356 176.600 0.034 0.000 1.030 639 E CA -0.340 56.072 56.400 0.020 0.000 0.836 639 E CB 1.433 31.169 29.700 0.060 0.000 1.068 639 E HN 0.507 nan 8.360 nan 0.000 0.401 640 V N 5.566 125.459 119.914 -0.034 0.000 2.448 640 V HA 0.188 4.312 4.120 0.006 0.000 0.295 640 V C -0.460 175.570 176.094 -0.107 0.000 1.025 640 V CA -0.735 61.567 62.300 0.003 0.000 0.859 640 V CB 1.589 33.412 31.823 -0.000 0.000 0.988 640 V HN 0.675 nan 8.190 nan 0.000 0.431 641 H N 4.576 123.696 119.070 0.083 0.000 2.581 641 H HA 0.282 4.842 4.556 0.006 0.000 0.308 641 H C -1.363 174.052 175.328 0.145 0.000 1.040 641 H CA -0.264 55.839 56.048 0.091 0.000 1.231 641 H CB 1.413 31.208 29.762 0.056 0.000 1.396 641 H HN 0.650 nan 8.280 nan 0.000 0.467 642 Y N 4.449 124.783 120.300 0.057 0.000 2.331 642 Y HA 0.167 4.720 4.550 0.006 0.000 0.338 642 Y C 0.058 175.986 175.900 0.047 0.000 0.976 642 Y CA -0.804 57.321 58.100 0.041 0.000 1.137 642 Y CB 0.630 39.095 38.460 0.008 0.000 1.172 642 Y HN 0.557 nan 8.280 nan 0.000 0.478 643 L N 5.496 126.457 121.223 -0.438 0.000 2.554 643 L HA 0.363 4.707 4.340 0.006 0.000 0.225 643 L C 1.132 177.681 176.870 -0.535 0.000 1.104 643 L CA 0.611 55.235 54.840 -0.360 0.000 0.866 643 L CB -0.352 41.621 42.059 -0.144 0.000 1.047 643 L HN 1.005 nan 8.230 nan 0.000 0.468 644 G N 0.558 108.718 108.800 -1.067 0.000 2.428 644 G HA2 -0.196 3.767 3.960 0.006 0.000 0.202 644 G HA3 -0.196 3.767 3.960 0.006 0.000 0.202 644 G C -0.168 174.579 174.900 -0.254 0.000 1.247 644 G CA -0.295 44.400 45.100 -0.675 0.000 1.020 644 G HN 0.159 nan 8.290 nan 0.000 0.529 645 T N -2.887 111.614 114.554 -0.088 0.000 2.948 645 T HA 0.666 5.020 4.350 0.006 0.000 0.285 645 T C 0.894 175.585 174.700 -0.015 0.000 1.019 645 T CA 0.873 62.969 62.100 -0.005 0.000 1.013 645 T CB 1.532 70.418 68.868 0.031 0.000 1.117 645 T HN 2.277 nan 8.240 nan 0.000 0.533 646 S N -0.452 115.255 115.700 0.012 0.000 3.614 646 S HA -0.105 4.369 4.470 0.006 0.000 0.360 646 S C 0.080 174.680 174.600 0.000 0.000 1.023 646 S CA 0.315 58.522 58.200 0.012 0.000 1.114 646 S CB -1.745 61.458 63.200 0.006 0.000 0.907 646 S HN 0.789 nan 8.310 nan 0.000 0.470 647 V N 2.331 122.245 119.914 -0.001 0.000 2.385 647 V HA 0.291 4.415 4.120 0.006 0.000 0.269 647 V C -1.797 174.302 176.094 0.009 0.000 1.043 647 V CA -1.817 60.478 62.300 -0.009 0.000 0.906 647 V CB 0.964 32.773 31.823 -0.023 0.000 0.995 647 V HN 0.103 nan 8.190 nan 0.000 0.467 648 P HA 0.094 nan 4.420 nan 0.000 0.268 648 P C 1.202 178.513 177.300 0.018 0.000 1.205 648 P CA -0.015 63.093 63.100 0.014 0.000 0.771 648 P CB 0.717 32.422 31.700 0.009 0.000 0.858 649 V N 2.922 122.852 119.914 0.025 0.000 2.252 649 V HA -0.323 3.801 4.120 0.006 0.000 0.255 649 V C 2.186 178.294 176.094 0.025 0.000 1.071 649 V CA 2.533 64.852 62.300 0.030 0.000 1.050 649 V CB -1.207 30.634 31.823 0.031 0.000 0.654 649 V HN 0.699 nan 8.190 nan 0.000 0.448 650 E N -0.015 120.195 120.200 0.017 0.000 2.106 650 E HA -0.245 4.109 4.350 0.006 0.000 0.192 650 E C 2.322 178.928 176.600 0.010 0.000 0.984 650 E CA 1.326 57.733 56.400 0.013 0.000 0.806 650 E CB -0.143 29.562 29.700 0.008 0.000 0.750 650 E HN 0.606 nan 8.360 nan 0.000 0.458 651 K N 0.274 120.678 120.400 0.008 0.000 2.097 651 K HA -0.171 4.153 4.320 0.006 0.000 0.206 651 K C 2.195 178.798 176.600 0.006 0.000 1.049 651 K CA 1.130 57.419 56.287 0.003 0.000 0.933 651 K CB -0.104 32.394 32.500 -0.003 0.000 0.717 651 K HN 0.187 nan 8.250 nan 0.000 0.442 652 L N 0.642 121.873 121.223 0.013 0.000 2.156 652 L HA -0.083 4.261 4.340 0.006 0.000 0.208 652 L C 1.855 178.742 176.870 0.028 0.000 1.095 652 L CA 1.102 55.955 54.840 0.023 0.000 0.770 652 L CB -0.083 41.997 42.059 0.034 0.000 0.914 652 L HN -0.049 nan 8.230 nan 0.000 0.439 653 V N -0.080 119.850 119.914 0.027 0.000 2.307 653 V HA -0.250 3.874 4.120 0.006 0.000 0.245 653 V C 2.187 178.291 176.094 0.016 0.000 1.045 653 V CA 1.966 64.281 62.300 0.027 0.000 1.024 653 V CB -0.675 31.163 31.823 0.024 0.000 0.651 653 V HN 0.460 nan 8.190 nan 0.000 0.449 654 D N 0.531 120.936 120.400 0.009 0.000 2.117 654 D HA -0.122 4.522 4.640 0.006 0.000 0.197 654 D C 2.180 178.477 176.300 -0.004 0.000 0.987 654 D CA 1.641 55.642 54.000 0.001 0.000 0.829 654 D CB -0.304 40.496 40.800 -0.001 0.000 0.961 654 D HN 0.456 nan 8.370 nan 0.000 0.460 655 A N 1.033 123.850 122.820 -0.004 0.000 1.969 655 A HA 0.050 4.374 4.320 0.006 0.000 0.218 655 A C 2.313 179.886 177.584 -0.019 0.000 1.169 655 A CA 1.767 53.795 52.037 -0.015 0.000 0.635 655 A CB -0.563 18.432 19.000 -0.008 0.000 0.810 655 A HN 0.217 nan 8.150 nan 0.000 0.445 656 A N 0.229 123.051 122.820 0.002 0.000 1.940 656 A HA -0.107 4.217 4.320 0.006 0.000 0.219 656 A C 2.032 179.614 177.584 -0.003 0.000 1.176 656 A CA 1.708 53.750 52.037 0.009 0.000 0.631 656 A CB -0.632 18.387 19.000 0.032 0.000 0.814 656 A HN 0.553 nan 8.150 nan 0.000 0.446 657 I N -0.445 120.123 120.570 -0.003 0.000 2.235 657 I HA -0.025 4.149 4.170 0.006 0.000 0.241 657 I C 2.877 178.981 176.117 -0.021 0.000 1.085 657 I CA 1.297 62.593 61.300 -0.007 0.000 1.378 657 I CB -1.016 36.982 38.000 -0.003 0.000 1.076 657 I HN 0.386 nan 8.210 nan 0.000 0.415 658 E N 1.863 122.047 120.200 -0.026 0.000 2.147 658 E HA -0.192 4.161 4.350 0.006 0.000 0.199 658 E C 1.892 178.458 176.600 -0.057 0.000 1.005 658 E CA 2.053 58.431 56.400 -0.036 0.000 0.810 658 E CB -1.119 28.559 29.700 -0.035 0.000 0.736 658 E HN 0.634 nan 8.360 nan 0.000 0.460 659 L N 0.231 121.404 121.223 -0.083 0.000 2.728 659 L HA 0.152 4.496 4.340 0.006 0.000 0.238 659 L C 0.694 177.514 176.870 -0.084 0.000 1.143 659 L CA 0.207 54.970 54.840 -0.128 0.000 0.937 659 L CB 0.334 42.232 42.059 -0.267 0.000 1.225 659 L HN 0.280 nan 8.230 nan 0.000 0.507 660 K N 0.171 120.543 120.400 -0.046 0.000 3.602 660 K HA -0.239 4.085 4.320 0.006 0.000 0.274 660 K C -0.017 176.573 176.600 -0.016 0.000 0.864 660 K CA 0.822 57.096 56.287 -0.022 0.000 0.682 660 K CB -1.971 30.520 32.500 -0.014 0.000 1.576 660 K HN 0.228 nan 8.250 nan 0.000 0.447 661 A N 1.435 124.247 122.820 -0.014 0.000 2.483 661 A HA 0.158 4.482 4.320 0.006 0.000 0.238 661 A C 0.906 178.503 177.584 0.021 0.000 1.070 661 A CA 0.172 52.217 52.037 0.012 0.000 0.770 661 A CB 0.295 19.311 19.000 0.028 0.000 1.008 661 A HN 0.482 nan 8.150 nan 0.000 0.497 662 D N 0.214 120.628 120.400 0.024 0.000 2.348 662 D HA 0.346 4.990 4.640 0.006 0.000 0.211 662 D C 0.511 176.825 176.300 0.022 0.000 0.998 662 D CA 1.448 55.457 54.000 0.015 0.000 0.873 662 D CB 0.121 40.921 40.800 -0.000 0.000 0.925 662 D HN 0.705 nan 8.370 nan 0.000 0.524 663 A N 0.065 122.912 122.820 0.044 0.000 2.606 663 A HA 0.670 4.994 4.320 0.006 0.000 0.293 663 A C -1.445 176.198 177.584 0.099 0.000 1.082 663 A CA -0.646 51.436 52.037 0.074 0.000 0.685 663 A CB 1.320 20.357 19.000 0.062 0.000 1.284 663 A HN 0.008 nan 8.150 nan 0.000 0.408 664 I N 0.931 121.580 120.570 0.131 0.000 2.433 664 I HA 0.475 4.648 4.170 0.006 0.000 0.292 664 I C -0.995 175.220 176.117 0.163 0.000 1.001 664 I CA -0.310 61.068 61.300 0.131 0.000 1.119 664 I CB 1.749 39.820 38.000 0.119 0.000 1.289 664 I HN 0.481 nan 8.210 nan 0.000 0.438 665 L N 6.223 127.534 121.223 0.145 0.000 2.376 665 L HA 0.832 5.176 4.340 0.006 0.000 0.275 665 L C -0.466 176.483 176.870 0.130 0.000 0.987 665 L CA -0.507 54.419 54.840 0.144 0.000 0.828 665 L CB 1.834 43.964 42.059 0.118 0.000 1.249 665 L HN 0.672 nan 8.230 nan 0.000 0.409 666 A N 2.190 125.086 122.820 0.127 0.000 2.414 666 A HA 0.764 5.088 4.320 0.006 0.000 0.306 666 A C -0.777 176.873 177.584 0.111 0.000 1.054 666 A CA -0.450 51.657 52.037 0.116 0.000 0.724 666 A CB 2.160 21.222 19.000 0.103 0.000 1.267 666 A HN 0.521 nan 8.150 nan 0.000 0.418 667 S N 0.131 115.896 115.700 0.107 0.000 2.651 667 S HA 0.816 5.290 4.470 0.006 0.000 0.291 667 S C -0.472 174.179 174.600 0.084 0.000 1.141 667 S CA -0.155 58.102 58.200 0.096 0.000 1.027 667 S CB 1.362 64.622 63.200 0.101 0.000 1.043 667 S HN 1.011 nan 8.310 nan 0.000 0.530 668 T N 4.235 118.829 114.554 0.066 0.000 3.755 668 T HA 0.323 4.677 4.350 0.006 0.000 0.327 668 T C -0.018 174.683 174.700 0.003 0.000 0.801 668 T CA -0.454 61.678 62.100 0.052 0.000 1.026 668 T CB 0.036 68.944 68.868 0.066 0.000 1.040 668 T HN 0.449 nan 8.240 nan 0.000 0.470 669 I N 2.679 123.229 120.570 -0.033 0.000 2.685 669 I HA 0.368 4.542 4.170 0.006 0.000 0.251 669 I C 1.227 177.211 176.117 -0.222 0.000 1.102 669 I CA 0.155 61.366 61.300 -0.147 0.000 1.442 669 I CB -0.499 37.366 38.000 -0.225 0.000 1.194 669 I HN 0.574 nan 8.210 nan 0.000 0.448 670 I N 1.988 122.459 120.570 -0.164 0.000 2.683 670 I HA -0.093 4.081 4.170 0.006 0.000 0.286 670 I C 1.141 177.194 176.117 -0.106 0.000 1.175 670 I CA 0.519 61.754 61.300 -0.109 0.000 1.429 670 I CB 0.548 38.560 38.000 0.020 0.000 1.371 670 I HN 0.224 nan 8.210 nan 0.000 0.569 671 S N 3.409 119.020 115.700 -0.149 0.000 2.780 671 S HA 0.058 4.531 4.470 0.006 0.000 0.248 671 S C 0.315 174.904 174.600 -0.018 0.000 1.036 671 S CA -0.488 57.550 58.200 -0.270 0.000 1.061 671 S CB -0.289 62.490 63.200 -0.702 0.000 1.037 671 S HN 0.690 nan 8.310 nan 0.000 0.584 672 H N 3.561 122.600 119.070 -0.051 0.000 3.187 672 H HA 0.166 4.726 4.556 0.006 0.000 0.286 672 H C 0.133 175.484 175.328 0.039 0.000 0.944 672 H CA 1.259 57.304 56.048 -0.004 0.000 1.429 672 H CB -0.521 29.242 29.762 0.003 0.000 1.483 672 H HN 0.294 nan 8.280 nan 0.000 0.555 673 D N 4.533 124.856 120.400 -0.129 0.000 2.746 673 D HA -0.212 4.431 4.640 0.006 0.000 0.236 673 D C -0.317 176.002 176.300 0.031 0.000 1.129 673 D CA 1.115 55.038 54.000 -0.128 0.000 0.691 673 D CB -0.803 39.819 40.800 -0.296 0.000 1.077 673 D HN 0.872 nan 8.370 nan 0.000 0.432 674 D N -1.349 119.149 120.400 0.163 0.000 3.018 674 D HA -0.269 4.375 4.640 0.006 0.000 0.224 674 D C 1.472 177.898 176.300 0.212 0.000 1.185 674 D CA 0.843 55.020 54.000 0.295 0.000 0.858 674 D CB -0.918 40.014 40.800 0.220 0.000 1.112 674 D HN 0.457 nan 8.370 nan 0.000 0.415 675 I N 1.482 122.153 120.570 0.168 0.000 2.300 675 I HA -0.312 3.862 4.170 0.006 0.000 0.252 675 I C 2.466 178.651 176.117 0.114 0.000 1.119 675 I CA 2.067 63.431 61.300 0.108 0.000 1.384 675 I CB -0.295 37.755 38.000 0.084 0.000 1.062 675 I HN 0.308 nan 8.210 nan 0.000 0.426 676 H N -0.848 118.177 119.070 -0.076 0.000 2.319 676 H HA -0.238 4.322 4.556 0.006 0.000 0.299 676 H C 1.872 177.121 175.328 -0.132 0.000 1.092 676 H CA 2.262 58.217 56.048 -0.155 0.000 1.302 676 H CB -1.565 28.024 29.762 -0.289 0.000 1.373 676 H HN 0.398 nan 8.280 nan 0.000 0.497 677 Y N 1.324 121.327 120.300 -0.495 0.000 2.365 677 Y HA 0.102 4.656 4.550 0.006 0.000 0.293 677 Y C 2.725 178.544 175.900 -0.134 0.000 1.119 677 Y CA 0.460 58.353 58.100 -0.345 0.000 1.203 677 Y CB -0.025 38.189 38.460 -0.410 0.000 1.026 677 Y HN 0.151 nan 8.280 nan 0.000 0.549 678 K N -0.074 120.361 120.400 0.057 0.000 2.057 678 K HA -0.161 4.163 4.320 0.006 0.000 0.207 678 K C 1.644 178.274 176.600 0.049 0.000 1.049 678 K CA 1.399 57.716 56.287 0.051 0.000 0.931 678 K CB -0.137 32.389 32.500 0.043 0.000 0.714 678 K HN 0.186 nan 8.250 nan 0.000 0.440 679 N N 0.672 119.401 118.700 0.048 0.000 2.309 679 N HA -0.042 4.702 4.740 0.006 0.000 0.182 679 N C 1.626 177.174 175.510 0.063 0.000 1.018 679 N CA 0.984 54.065 53.050 0.052 0.000 0.876 679 N CB 0.008 38.528 38.487 0.054 0.000 0.972 679 N HN 0.190 nan 8.380 nan 0.000 0.434 680 M N 0.284 119.925 119.600 0.068 0.000 2.086 680 M HA -0.180 4.304 4.480 0.006 0.000 0.261 680 M C 2.071 178.430 176.300 0.099 0.000 1.067 680 M CA 1.431 56.782 55.300 0.085 0.000 1.116 680 M CB -0.211 32.448 32.600 0.099 0.000 1.348 680 M HN -0.071 nan 8.290 nan 0.000 0.407 681 K N 0.576 121.029 120.400 0.088 0.000 2.009 681 K HA -0.120 4.203 4.320 0.006 0.000 0.210 681 K C 1.950 178.598 176.600 0.080 0.000 1.049 681 K CA 1.611 57.955 56.287 0.095 0.000 0.929 681 K CB -0.200 32.337 32.500 0.061 0.000 0.714 681 K HN 0.108 nan 8.250 nan 0.000 0.440 682 R N -0.210 120.323 120.500 0.054 0.000 2.189 682 R HA -0.018 4.325 4.340 0.006 0.000 0.223 682 R C 2.243 178.566 176.300 0.038 0.000 1.092 682 R CA 1.172 57.291 56.100 0.032 0.000 0.989 682 R CB -0.203 30.113 30.300 0.027 0.000 0.876 682 R HN 0.293 nan 8.270 nan 0.000 0.457 683 I N -0.708 119.903 120.570 0.069 0.000 2.406 683 I HA -0.232 3.942 4.170 0.006 0.000 0.249 683 I C 2.342 178.524 176.117 0.108 0.000 1.122 683 I CA 1.009 62.356 61.300 0.079 0.000 1.431 683 I CB -0.095 37.959 38.000 0.090 0.000 1.087 683 I HN 0.161 nan 8.210 nan 0.000 0.424 684 H N 1.111 120.200 119.070 0.032 0.000 2.299 684 H HA -0.149 4.411 4.556 0.007 0.000 0.302 684 H C 1.986 177.327 175.328 0.022 0.000 1.078 684 H CA 2.049 58.114 56.048 0.028 0.000 1.323 684 H CB -0.122 29.653 29.762 0.023 0.000 1.381 684 H HN 0.289 nan 8.280 nan 0.000 0.498 685 E N 0.150 120.195 120.200 -0.259 0.000 2.097 685 E HA -0.173 4.181 4.350 0.006 0.000 0.196 685 E C 2.433 178.939 176.600 -0.157 0.000 1.000 685 E CA 1.369 57.604 56.400 -0.274 0.000 0.804 685 E CB -0.158 29.467 29.700 -0.126 0.000 0.740 685 E HN 0.447 nan 8.360 nan 0.000 0.454 686 L N 0.180 121.360 121.223 -0.072 0.000 2.201 686 L HA -0.148 4.196 4.340 0.006 0.000 0.212 686 L C 2.409 179.262 176.870 -0.028 0.000 1.105 686 L CA 0.752 55.571 54.840 -0.035 0.000 0.775 686 L CB -0.272 41.784 42.059 -0.005 0.000 0.913 686 L HN 0.171 nan 8.230 nan 0.000 0.440 687 A N -0.766 122.042 122.820 -0.021 0.000 1.970 687 A HA -0.062 4.262 4.320 0.006 0.000 0.216 687 A C 2.199 179.780 177.584 -0.005 0.000 1.170 687 A CA 1.050 53.096 52.037 0.015 0.000 0.645 687 A CB -0.378 18.671 19.000 0.081 0.000 0.816 687 A HN 0.197 nan 8.150 nan 0.000 0.447 688 V N 0.122 119.992 119.914 -0.073 0.000 2.488 688 V HA -0.180 3.944 4.120 0.006 0.000 0.246 688 V C 2.461 178.525 176.094 -0.049 0.000 1.046 688 V CA 1.956 64.215 62.300 -0.068 0.000 1.053 688 V CB -0.587 31.140 31.823 -0.160 0.000 0.679 688 V HN 0.766 nan 8.190 nan 0.000 0.458 689 E N 0.401 120.564 120.200 -0.061 0.000 2.107 689 E HA -0.187 4.167 4.350 0.006 0.000 0.191 689 E C 1.902 178.489 176.600 -0.022 0.000 0.982 689 E CA 0.806 57.182 56.400 -0.041 0.000 0.809 689 E CB 0.074 29.747 29.700 -0.045 0.000 0.756 689 E HN 0.386 nan 8.360 nan 0.000 0.459 690 K N -0.201 120.189 120.400 -0.016 0.000 2.459 690 K HA 0.032 4.356 4.320 0.006 0.000 0.193 690 K C 0.794 177.394 176.600 -0.001 0.000 1.030 690 K CA 0.785 57.068 56.287 -0.006 0.000 1.026 690 K CB 0.492 32.991 32.500 -0.001 0.000 0.809 690 K HN 0.321 nan 8.250 nan 0.000 0.504 691 G N 2.529 111.329 108.800 0.000 0.000 2.303 691 G HA2 -0.204 3.759 3.960 0.006 0.000 0.260 691 G HA3 -0.204 3.759 3.960 0.006 0.000 0.260 691 G C 0.407 175.316 174.900 0.014 0.000 1.106 691 G CA 0.421 45.525 45.100 0.006 0.000 0.900 691 G HN 0.452 nan 8.290 nan 0.000 0.495 692 I N -4.124 116.459 120.570 0.022 0.000 4.453 692 I HA 0.418 4.592 4.170 0.006 0.000 0.342 692 I C 1.787 177.932 176.117 0.047 0.000 1.341 692 I CA -0.184 61.134 61.300 0.030 0.000 1.217 692 I CB 0.158 38.174 38.000 0.027 0.000 1.545 692 I HN 0.048 nan 8.210 nan 0.000 0.557 693 R N 3.295 123.831 120.500 0.060 0.000 2.083 693 R HA -0.187 4.156 4.340 0.006 0.000 0.237 693 R C 1.686 178.037 176.300 0.085 0.000 1.137 693 R CA 2.773 58.931 56.100 0.097 0.000 0.951 693 R CB -0.616 29.768 30.300 0.141 0.000 0.851 693 R HN 0.684 nan 8.270 nan 0.000 0.434 694 D N -0.752 119.687 120.400 0.064 0.000 2.347 694 D HA -0.088 4.556 4.640 0.006 0.000 0.213 694 D C 0.370 176.694 176.300 0.040 0.000 0.985 694 D CA 0.524 54.555 54.000 0.051 0.000 0.879 694 D CB -0.008 40.817 40.800 0.041 0.000 0.919 694 D HN 0.233 nan 8.370 nan 0.000 0.526 695 K N 0.216 120.639 120.400 0.038 0.000 2.577 695 K HA 0.392 4.716 4.320 0.006 0.000 0.210 695 K C -0.334 176.286 176.600 0.033 0.000 1.048 695 K CA -0.094 56.210 56.287 0.029 0.000 1.188 695 K CB 0.650 33.163 32.500 0.022 0.000 0.910 695 K HN 0.104 nan 8.250 nan 0.000 0.483 696 I N 0.220 120.818 120.570 0.047 0.000 2.743 696 I HA 0.201 4.374 4.170 0.006 0.000 0.292 696 I C -1.430 174.735 176.117 0.080 0.000 1.343 696 I CA -0.666 60.668 61.300 0.056 0.000 1.038 696 I CB 1.661 39.698 38.000 0.063 0.000 1.311 696 I HN -0.028 nan 8.210 nan 0.000 0.426 697 M N 7.196 126.844 119.600 0.080 0.000 2.211 697 M HA 0.500 4.984 4.480 0.006 0.000 0.356 697 M C -0.947 175.486 176.300 0.223 0.000 1.216 697 M CA 0.003 55.392 55.300 0.148 0.000 1.134 697 M CB 0.764 33.379 32.600 0.026 0.000 1.564 697 M HN 0.284 nan 8.290 nan 0.000 0.463 698 I N 1.751 122.495 120.570 0.289 0.000 2.436 698 I HA 0.665 4.839 4.170 0.006 0.000 0.289 698 I C 0.130 176.408 176.117 0.269 0.000 1.010 698 I CA -0.673 60.773 61.300 0.243 0.000 1.098 698 I CB 2.063 40.158 38.000 0.159 0.000 1.266 698 I HN 0.773 nan 8.210 nan 0.000 0.434 699 G N 4.631 113.594 108.800 0.272 0.000 2.617 699 G HA2 0.636 4.600 3.960 0.006 0.000 0.306 699 G HA3 0.636 4.600 3.960 0.006 0.000 0.306 699 G C -1.518 173.512 174.900 0.218 0.000 1.360 699 G CA -0.332 44.907 45.100 0.231 0.000 0.983 699 G HN 0.647 nan 8.290 nan 0.000 0.496 700 C N 1.111 120.537 119.300 0.210 0.000 2.481 700 C HA 0.935 5.399 4.460 0.006 0.000 0.324 700 C C 0.714 175.834 174.990 0.216 0.000 1.170 700 C CA -0.429 58.692 59.018 0.172 0.000 1.361 700 C CB 1.073 28.878 27.740 0.108 0.000 1.977 700 C HN 1.072 nan 8.230 nan 0.000 0.459 701 G N 1.004 109.918 108.800 0.191 0.000 2.714 701 G HA2 0.935 4.898 3.960 0.006 0.000 0.292 701 G HA3 0.935 4.898 3.960 0.006 0.000 0.292 701 G C -0.671 174.291 174.900 0.104 0.000 1.308 701 G CA -0.260 44.950 45.100 0.184 0.000 0.964 701 G HN 1.387 nan 8.290 nan 0.000 0.484 702 G N -2.023 106.826 108.800 0.082 0.000 2.361 702 G HA2 0.447 4.411 3.960 0.006 0.000 0.299 702 G HA3 0.447 4.411 3.960 0.006 0.000 0.299 702 G C 0.474 175.376 174.900 0.004 0.000 1.544 702 G CA 0.501 45.617 45.100 0.026 0.000 0.860 702 G HN 0.787 nan 8.290 nan 0.000 0.610 703 T N 0.581 115.112 114.554 -0.039 0.000 2.737 703 T HA -0.136 4.218 4.350 0.006 0.000 0.269 703 T C 1.796 176.461 174.700 -0.058 0.000 1.040 703 T CA 1.769 63.840 62.100 -0.048 0.000 1.142 703 T CB -0.054 68.766 68.868 -0.080 0.000 0.861 703 T HN 0.421 nan 8.240 nan 0.000 0.456 704 Q N 0.610 120.338 119.800 -0.120 0.000 2.280 704 Q HA 0.247 4.591 4.340 0.006 0.000 0.201 704 Q C 0.059 176.056 176.000 -0.005 0.000 0.890 704 Q CA 0.035 55.760 55.803 -0.131 0.000 0.947 704 Q CB 0.150 28.675 28.738 -0.355 0.000 1.081 704 Q HN 0.362 nan 8.270 nan 0.000 0.502 705 V N 2.496 122.431 119.914 0.034 0.000 2.455 705 V HA 0.150 4.274 4.120 0.006 0.000 0.273 705 V C 0.338 176.511 176.094 0.131 0.000 1.045 705 V CA -0.006 62.350 62.300 0.093 0.000 0.976 705 V CB 0.985 32.850 31.823 0.070 0.000 0.993 705 V HN 0.074 nan 8.190 nan 0.000 0.475 706 T N 8.055 122.742 114.554 0.222 0.000 2.767 706 T HA 0.262 4.616 4.350 0.006 0.000 0.288 706 T C -1.660 173.073 174.700 0.055 0.000 0.963 706 T CA -1.265 60.904 62.100 0.114 0.000 1.019 706 T CB 1.667 70.597 68.868 0.103 0.000 0.923 706 T HN 0.413 nan 8.240 nan 0.000 0.468 707 P HA -0.157 nan 4.420 nan 0.000 0.216 707 P C 1.236 178.456 177.300 -0.134 0.000 1.154 707 P CA 1.174 64.184 63.100 -0.150 0.000 0.865 707 P CB 0.263 31.836 31.700 -0.212 0.000 0.789 708 E N -0.955 119.184 120.200 -0.102 0.000 2.106 708 E HA -0.100 4.254 4.350 0.006 0.000 0.192 708 E C 1.965 178.489 176.600 -0.126 0.000 0.984 708 E CA 0.863 57.198 56.400 -0.107 0.000 0.806 708 E CB -1.034 28.613 29.700 -0.088 0.000 0.750 708 E HN 0.040 nan 8.360 nan 0.000 0.458 709 V N 0.814 120.647 119.914 -0.136 0.000 2.626 709 V HA -0.193 3.931 4.120 0.006 0.000 0.252 709 V C 2.134 178.055 176.094 -0.288 0.000 1.067 709 V CA 1.527 63.654 62.300 -0.288 0.000 1.081 709 V CB -0.751 30.790 31.823 -0.470 0.000 0.686 709 V HN 0.322 nan 8.190 nan 0.000 0.468 710 A N 0.161 122.935 122.820 -0.077 0.000 1.873 710 A HA -0.125 4.199 4.320 0.006 0.000 0.215 710 A C 2.167 179.701 177.584 -0.084 0.000 1.186 710 A CA 1.854 53.892 52.037 0.002 0.000 0.616 710 A CB -0.615 18.397 19.000 0.020 0.000 0.823 710 A HN 0.366 nan 8.150 nan 0.000 0.442 711 V N 0.074 119.914 119.914 -0.123 0.000 3.444 711 V HA -0.105 4.018 4.120 0.006 0.000 0.271 711 V C 1.950 177.969 176.094 -0.126 0.000 1.188 711 V CA 1.650 63.871 62.300 -0.131 0.000 1.168 711 V CB -0.814 30.927 31.823 -0.137 0.000 0.810 711 V HN 0.499 nan 8.190 nan 0.000 0.500 712 K N -0.353 119.965 120.400 -0.135 0.000 2.243 712 K HA -0.017 4.307 4.320 0.006 0.000 0.201 712 K C 2.076 178.612 176.600 -0.106 0.000 1.051 712 K CA 0.432 56.643 56.287 -0.127 0.000 0.970 712 K CB 0.047 32.454 32.500 -0.156 0.000 0.755 712 K HN 0.358 nan 8.250 nan 0.000 0.465 713 Q N -0.605 119.134 119.800 -0.102 0.000 2.378 713 Q HA 0.018 4.362 4.340 0.006 0.000 0.205 713 Q C 1.163 177.145 176.000 -0.030 0.000 0.954 713 Q CA 1.171 56.949 55.803 -0.042 0.000 0.901 713 Q CB 0.675 29.411 28.738 -0.004 0.000 0.981 713 Q HN 0.519 nan 8.270 nan 0.000 0.483 714 G N 0.473 109.182 108.800 -0.151 0.000 2.168 714 G HA2 -0.233 3.731 3.960 0.006 0.000 0.197 714 G HA3 -0.233 3.731 3.960 0.006 0.000 0.197 714 G C 0.290 174.926 174.900 -0.439 0.000 0.997 714 G CA 0.169 45.010 45.100 -0.432 0.000 0.658 714 G HN 0.333 nan 8.290 nan 0.000 0.513 715 V N -2.139 117.671 119.914 -0.174 0.000 2.904 715 V HA 0.662 4.786 4.120 0.006 0.000 0.305 715 V C 1.204 177.236 176.094 -0.102 0.000 1.067 715 V CA 0.344 62.589 62.300 -0.092 0.000 1.044 715 V CB 1.372 33.184 31.823 -0.018 0.000 1.050 715 V HN 0.019 nan 8.190 nan 0.000 0.475 716 D N 1.824 122.200 120.400 -0.040 0.000 2.149 716 D HA 0.231 4.875 4.640 0.006 0.000 0.201 716 D C 0.720 176.904 176.300 -0.194 0.000 0.972 716 D CA 2.004 55.993 54.000 -0.018 0.000 0.835 716 D CB 0.433 41.359 40.800 0.210 0.000 0.966 716 D HN 0.962 nan 8.370 nan 0.000 0.476 717 A N -0.320 122.275 122.820 -0.374 0.000 2.594 717 A HA 0.631 4.955 4.320 0.006 0.000 0.295 717 A C -0.502 176.739 177.584 -0.571 0.000 1.071 717 A CA -0.288 51.357 52.037 -0.653 0.000 0.685 717 A CB 2.040 20.292 19.000 -1.246 0.000 1.285 717 A HN 0.066 nan 8.150 nan 0.000 0.405 718 G N -0.108 108.282 108.800 -0.684 0.000 2.513 718 G HA2 0.682 4.646 3.960 0.006 0.000 0.317 718 G HA3 0.682 4.646 3.960 0.006 0.000 0.317 718 G C -1.372 173.146 174.900 -0.637 0.000 1.277 718 G CA -0.423 44.425 45.100 -0.420 0.000 0.955 718 G HN 0.445 nan 8.290 nan 0.000 0.484 719 F N 0.896 120.824 119.950 -0.037 0.000 2.529 719 F HA 0.734 5.264 4.527 0.006 0.000 0.320 719 F C 0.751 176.561 175.800 0.016 0.000 1.118 719 F CA -0.407 57.587 58.000 -0.009 0.000 0.915 719 F CB 2.761 41.768 39.000 0.011 0.000 1.161 719 F HN 0.750 nan 8.300 nan 0.000 0.445 720 G N 1.445 110.355 108.800 0.183 0.000 3.257 720 G HA2 0.496 4.459 3.960 0.006 0.000 0.205 720 G HA3 0.496 4.459 3.960 0.006 0.000 0.205 720 G C -0.889 174.073 174.900 0.103 0.000 1.234 720 G CA -1.163 44.002 45.100 0.108 0.000 0.918 720 G HN 0.466 nan 8.290 nan 0.000 0.602 721 R N -0.226 120.313 120.500 0.065 0.000 2.538 721 R HA 0.351 4.695 4.340 0.006 0.000 0.282 721 R C 1.219 177.567 176.300 0.080 0.000 1.009 721 R CA 1.368 57.503 56.100 0.057 0.000 1.063 721 R CB 0.320 30.641 30.300 0.035 0.000 0.945 721 R HN 1.296 nan 8.270 nan 0.000 0.414 722 G N 1.819 110.672 108.800 0.088 0.000 2.179 722 G HA2 -0.307 3.657 3.960 0.006 0.000 0.260 722 G HA3 -0.307 3.657 3.960 0.006 0.000 0.260 722 G C 0.075 175.101 174.900 0.210 0.000 0.977 722 G CA 0.197 45.366 45.100 0.115 0.000 0.641 722 G HN 0.581 nan 8.290 nan 0.000 0.533 723 S N 1.268 117.110 115.700 0.236 0.000 2.558 723 S HA 0.404 4.878 4.470 0.006 0.000 0.293 723 S C 0.627 175.329 174.600 0.170 0.000 1.292 723 S CA 0.441 58.860 58.200 0.365 0.000 1.063 723 S CB 0.910 64.280 63.200 0.283 0.000 0.831 723 S HN 0.602 nan 8.310 nan 0.000 0.499 724 K N 1.155 121.551 120.400 -0.006 0.000 2.346 724 K HA 0.467 4.791 4.320 0.006 0.000 0.238 724 K C 1.603 178.116 176.600 -0.144 0.000 1.039 724 K CA -0.894 55.300 56.287 -0.155 0.000 0.861 724 K CB 0.711 33.064 32.500 -0.244 0.000 1.278 724 K HN 0.558 nan 8.250 nan 0.000 0.460 725 G N 1.071 109.840 108.800 -0.052 0.000 2.513 725 G HA2 -0.290 3.674 3.960 0.006 0.000 0.219 725 G HA3 -0.290 3.674 3.960 0.006 0.000 0.219 725 G C 1.363 176.317 174.900 0.090 0.000 1.160 725 G CA 1.271 46.400 45.100 0.049 0.000 0.767 725 G HN 0.575 nan 8.290 nan 0.000 0.571 726 I N 0.864 121.473 120.570 0.065 0.000 2.113 726 I HA -0.290 3.884 4.170 0.006 0.000 0.242 726 I C 2.651 178.760 176.117 -0.014 0.000 1.064 726 I CA 2.285 63.582 61.300 -0.005 0.000 1.320 726 I CB -0.510 37.480 38.000 -0.016 0.000 1.028 726 I HN 0.453 nan 8.210 nan 0.000 0.406 727 H N -1.417 117.704 119.070 0.085 0.000 2.353 727 H HA -0.126 4.434 4.556 0.006 0.000 0.300 727 H C 2.217 177.640 175.328 0.158 0.000 1.090 727 H CA 1.465 57.601 56.048 0.148 0.000 1.327 727 H CB -0.342 29.553 29.762 0.222 0.000 1.383 727 H HN 0.269 nan 8.280 nan 0.000 0.508 728 V N 1.028 120.977 119.914 0.058 0.000 2.283 728 V HA -0.235 3.889 4.120 0.006 0.000 0.243 728 V C 2.713 178.860 176.094 0.087 0.000 1.039 728 V CA 1.523 63.766 62.300 -0.095 0.000 1.016 728 V CB -0.946 30.692 31.823 -0.308 0.000 0.650 728 V HN 0.569 nan 8.190 nan 0.000 0.449 729 A N -0.183 122.639 122.820 0.003 0.000 1.917 729 A HA -0.287 4.037 4.320 0.006 0.000 0.219 729 A C 2.388 179.917 177.584 -0.092 0.000 1.182 729 A CA 2.776 54.761 52.037 -0.087 0.000 0.633 729 A CB -1.123 17.696 19.000 -0.303 0.000 0.819 729 A HN 0.511 nan 8.150 nan 0.000 0.448 730 T N -0.600 113.936 114.554 -0.031 0.000 2.652 730 T HA -0.172 4.182 4.350 0.006 0.000 0.267 730 T C 1.602 176.372 174.700 0.117 0.000 1.039 730 T CA 1.723 63.840 62.100 0.028 0.000 1.153 730 T CB -0.471 68.457 68.868 0.099 0.000 0.863 730 T HN 0.593 nan 8.240 nan 0.000 0.428 731 F N 1.883 121.904 119.950 0.118 0.000 2.120 731 F HA -0.091 4.440 4.527 0.006 0.000 0.300 731 F C 1.834 177.692 175.800 0.097 0.000 1.095 731 F CA 1.223 59.321 58.000 0.162 0.000 1.249 731 F CB -0.759 38.468 39.000 0.378 0.000 0.995 731 F HN 0.092 nan 8.300 nan 0.000 0.480 732 L N 0.013 120.985 121.223 -0.418 0.000 2.156 732 L HA -0.130 4.214 4.340 0.006 0.000 0.208 732 L C 2.535 179.202 176.870 -0.338 0.000 1.095 732 L CA 1.099 55.571 54.840 -0.614 0.000 0.770 732 L CB -0.721 41.157 42.059 -0.301 0.000 0.914 732 L HN 0.277 nan 8.230 nan 0.000 0.439 733 V N -3.010 116.789 119.914 -0.192 0.000 2.346 733 V HA -0.165 3.959 4.120 0.006 0.000 0.244 733 V C 2.326 178.360 176.094 -0.100 0.000 1.037 733 V CA 1.141 63.367 62.300 -0.125 0.000 1.029 733 V CB -0.783 30.981 31.823 -0.098 0.000 0.663 733 V HN 0.296 nan 8.190 nan 0.000 0.454 734 K N 0.773 121.129 120.400 -0.072 0.000 2.063 734 K HA -0.214 4.110 4.320 0.006 0.000 0.208 734 K C 2.299 178.872 176.600 -0.045 0.000 1.048 734 K CA 2.077 58.346 56.287 -0.030 0.000 0.928 734 K CB -0.286 32.229 32.500 0.025 0.000 0.713 734 K HN 0.430 nan 8.250 nan 0.000 0.442 735 K N 1.709 122.046 120.400 -0.105 0.000 2.001 735 K HA -0.135 4.189 4.320 0.006 0.000 0.208 735 K C 2.028 178.573 176.600 -0.092 0.000 1.048 735 K CA 1.418 57.649 56.287 -0.092 0.000 0.932 735 K CB -0.243 32.137 32.500 -0.200 0.000 0.715 735 K HN 0.003 nan 8.250 nan 0.000 0.437 736 R N 0.634 121.052 120.500 -0.137 0.000 2.117 736 R HA -0.155 4.189 4.340 0.006 0.000 0.243 736 R C 2.017 178.287 176.300 -0.050 0.000 1.143 736 R CA 1.657 57.705 56.100 -0.087 0.000 0.968 736 R CB -0.247 29.997 30.300 -0.094 0.000 0.863 736 R HN 0.168 nan 8.270 nan 0.000 0.444 737 R N 0.353 120.824 120.500 -0.048 0.000 2.070 737 R HA -0.151 4.193 4.340 0.006 0.000 0.233 737 R C 2.767 179.058 176.300 -0.016 0.000 1.137 737 R CA 2.332 58.416 56.100 -0.027 0.000 0.945 737 R CB -0.688 29.597 30.300 -0.025 0.000 0.845 737 R HN 0.529 nan 8.270 nan 0.000 0.430 738 E N 1.128 121.321 120.200 -0.013 0.000 2.086 738 E HA -0.274 4.080 4.350 0.006 0.000 0.200 738 E C 1.849 178.449 176.600 0.001 0.000 1.012 738 E CA 2.121 58.521 56.400 0.000 0.000 0.812 738 E CB -0.693 29.015 29.700 0.013 0.000 0.743 738 E HN 0.409 nan 8.360 nan 0.000 0.453 739 M N -0.309 119.289 119.600 -0.003 0.000 2.123 739 M HA 0.093 4.577 4.480 0.006 0.000 0.263 739 M C 2.336 178.635 176.300 -0.001 0.000 1.069 739 M CA 1.338 56.638 55.300 0.001 0.000 1.133 739 M CB -0.411 32.189 32.600 -0.000 0.000 1.356 739 M HN 0.468 nan 8.290 nan 0.000 0.415 740 R N 0.000 120.496 120.500 -0.007 0.000 2.786 740 R HA 0.000 4.344 4.340 0.006 0.000 0.208 740 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 740 R CB 0.000 30.294 30.300 -0.009 0.000 0.687 740 R HN 0.000 nan 8.270 nan 0.000 0.535