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 3kow_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 KRREM 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 54.849 54.840 0.015 0.000 0.813 5 L CB 0.000 42.070 42.059 0.018 0.000 0.961 6 Q N -0.376 119.435 119.800 0.018 0.000 2.239 6 Q HA 0.185 4.529 4.340 0.006 0.000 0.351 6 Q C -0.991 175.026 176.000 0.029 0.000 0.537 6 Q CA -0.286 55.530 55.803 0.022 0.000 1.156 6 Q CB 0.283 29.034 28.738 0.022 0.000 0.967 6 Q HN 0.068 nan 8.270 nan 0.000 0.445 7 L N 3.402 124.648 121.223 0.038 0.000 3.927 7 L HA -0.236 4.107 4.340 0.006 0.000 0.540 7 L C -0.397 176.513 176.870 0.068 0.000 1.118 7 L CA 0.677 55.553 54.840 0.059 0.000 0.761 7 L CB -1.181 40.921 42.059 0.072 0.000 1.212 7 L HN 0.389 nan 8.230 nan 0.000 0.771 8 R N 0.989 121.523 120.500 0.057 0.000 2.442 8 R HA 0.155 4.498 4.340 0.006 0.000 0.291 8 R C 1.274 177.624 176.300 0.084 0.000 1.069 8 R CA 0.104 56.239 56.100 0.059 0.000 1.022 8 R CB 0.885 31.207 30.300 0.037 0.000 0.976 8 R HN 0.381 nan 8.270 nan 0.000 0.443 9 V N -0.049 119.935 119.914 0.116 0.000 3.444 9 V HA -0.127 3.996 4.120 0.006 0.000 0.271 9 V C 0.939 177.063 176.094 0.050 0.000 1.188 9 V CA 1.461 63.869 62.300 0.181 0.000 1.168 9 V CB -0.802 31.218 31.823 0.328 0.000 0.810 9 V HN 0.894 nan 8.190 nan 0.000 0.500 10 N N -0.371 118.342 118.700 0.022 0.000 2.170 10 N HA 0.137 4.880 4.740 0.006 0.000 0.222 10 N C 0.009 175.507 175.510 -0.021 0.000 1.218 10 N CA -0.256 52.781 53.050 -0.022 0.000 0.889 10 N CB 0.311 38.790 38.487 -0.013 0.000 1.083 10 N HN 0.714 nan 8.380 nan 0.000 0.520 11 E N 1.015 121.212 120.200 -0.005 0.000 2.202 11 E HA 0.302 4.655 4.350 0.006 0.000 0.272 11 E C -0.546 176.047 176.600 -0.012 0.000 0.951 11 E CA -0.757 55.639 56.400 -0.007 0.000 0.813 11 E CB 2.023 31.726 29.700 0.005 0.000 1.151 11 E HN 0.074 nan 8.360 nan 0.000 0.398 12 K N 1.374 121.763 120.400 -0.018 0.000 2.380 12 K HA 0.118 4.441 4.320 0.006 0.000 0.267 12 K C 0.165 176.762 176.600 -0.006 0.000 0.990 12 K CA -0.213 56.062 56.287 -0.021 0.000 0.946 12 K CB 0.504 32.990 32.500 -0.022 0.000 0.937 12 K HN 0.352 nan 8.250 nan 0.000 0.491 13 L N 2.256 123.477 121.223 -0.003 0.000 2.559 13 L HA -0.081 4.263 4.340 0.006 0.000 0.274 13 L C 0.512 177.380 176.870 -0.003 0.000 1.205 13 L CA 0.086 54.929 54.840 0.005 0.000 0.907 13 L CB 0.126 42.189 42.059 0.007 0.000 1.153 13 L HN 0.581 nan 8.230 nan 0.000 0.490 14 D N 3.549 123.949 120.400 0.000 0.000 2.517 14 D HA 0.002 4.646 4.640 0.006 0.000 0.220 14 D C 0.962 177.257 176.300 -0.008 0.000 1.158 14 D CA 0.005 54.002 54.000 -0.004 0.000 0.992 14 D CB 0.957 41.758 40.800 0.001 0.000 1.058 14 D HN 0.323 nan 8.370 nan 0.000 0.516 15 V N 3.311 123.214 119.914 -0.019 0.000 2.688 15 V HA -0.179 3.945 4.120 0.006 0.000 0.256 15 V C 1.739 177.817 176.094 -0.027 0.000 1.084 15 V CA 2.130 64.411 62.300 -0.031 0.000 1.103 15 V CB -0.122 31.664 31.823 -0.061 0.000 0.688 15 V HN 0.554 nan 8.190 nan 0.000 0.480 16 E N 0.168 120.355 120.200 -0.021 0.000 2.076 16 E HA -0.227 4.126 4.350 0.006 0.000 0.190 16 E C 2.044 178.644 176.600 0.001 0.000 0.979 16 E CA 1.291 57.683 56.400 -0.013 0.000 0.807 16 E CB -0.190 29.503 29.700 -0.012 0.000 0.761 16 E HN 0.775 nan 8.360 nan 0.000 0.454 17 N N 0.595 119.296 118.700 0.002 0.000 2.188 17 N HA -0.119 4.624 4.740 0.006 0.000 0.184 17 N C 1.772 177.287 175.510 0.009 0.000 1.018 17 N CA 1.177 54.231 53.050 0.008 0.000 0.858 17 N CB -0.132 38.359 38.487 0.007 0.000 0.989 17 N HN 0.194 nan 8.380 nan 0.000 0.426 18 I N 0.058 120.630 120.570 0.005 0.000 2.423 18 I HA -0.238 3.936 4.170 0.006 0.000 0.254 18 I C 1.742 177.862 176.117 0.006 0.000 1.151 18 I CA 0.825 62.124 61.300 -0.003 0.000 1.421 18 I CB -0.248 37.747 38.000 -0.008 0.000 1.079 18 I HN 0.250 nan 8.210 nan 0.000 0.431 19 L N 0.415 121.654 121.223 0.027 0.000 2.270 19 L HA -0.025 4.319 4.340 0.006 0.000 0.210 19 L C 0.921 177.821 176.870 0.051 0.000 1.104 19 L CA 0.494 55.367 54.840 0.056 0.000 0.804 19 L CB -0.164 41.933 42.059 0.064 0.000 0.937 19 L HN 0.122 nan 8.230 nan 0.000 0.450 20 K N 0.942 121.363 120.400 0.034 0.000 2.401 20 K HA 0.006 4.329 4.320 0.006 0.000 0.278 20 K C -0.159 176.458 176.600 0.028 0.000 1.018 20 K CA 0.021 56.328 56.287 0.034 0.000 0.981 20 K CB 0.362 32.877 32.500 0.025 0.000 0.933 20 K HN 0.011 nan 8.250 nan 0.000 0.477 21 D N 1.228 121.645 120.400 0.028 0.000 3.041 21 D HA -0.196 4.448 4.640 0.006 0.000 0.220 21 D C 0.400 176.692 176.300 -0.014 0.000 1.157 21 D CA 0.674 54.682 54.000 0.012 0.000 0.876 21 D CB -1.333 39.479 40.800 0.019 0.000 1.107 21 D HN 0.535 nan 8.370 nan 0.000 0.422 22 L N 0.588 121.793 121.223 -0.030 0.000 2.633 22 L HA -0.124 4.219 4.340 0.006 0.000 0.235 22 L C 2.022 178.653 176.870 -0.400 0.000 1.163 22 L CA 1.255 56.031 54.840 -0.106 0.000 0.859 22 L CB -0.088 41.958 42.059 -0.022 0.000 0.973 22 L HN 0.148 nan 8.230 nan 0.000 0.451 23 D N -1.245 118.932 120.400 -0.372 0.000 2.346 23 D HA -0.103 4.540 4.640 0.006 0.000 0.206 23 D C 1.261 177.411 176.300 -0.249 0.000 1.001 23 D CA 0.420 54.088 54.000 -0.554 0.000 0.871 23 D CB 0.113 40.783 40.800 -0.216 0.000 0.943 23 D HN 0.040 nan 8.370 nan 0.000 0.518 24 K N 0.148 120.478 120.400 -0.118 0.000 2.576 24 K HA 0.097 4.420 4.320 0.006 0.000 0.209 24 K C -0.740 175.846 176.600 -0.024 0.000 1.049 24 K CA -0.609 55.644 56.287 -0.058 0.000 1.140 24 K CB -0.309 32.173 32.500 -0.030 0.000 0.871 24 K HN 0.262 nan 8.250 nan 0.000 0.479 25 Y N 1.101 121.317 120.300 -0.139 0.000 2.313 25 Y HA 0.202 4.756 4.550 0.006 0.000 0.332 25 Y C -0.315 175.542 175.900 -0.071 0.000 1.071 25 Y CA -0.125 57.917 58.100 -0.096 0.000 1.169 25 Y CB 0.955 39.356 38.460 -0.098 0.000 1.192 25 Y HN -0.079 nan 8.280 nan 0.000 0.487 26 T N 7.990 122.039 114.554 -0.842 0.000 2.876 26 T HA 0.405 4.758 4.350 0.006 0.000 0.289 26 T C -2.884 171.261 174.700 -0.925 0.000 1.014 26 T CA -1.715 60.035 62.100 -0.583 0.000 0.986 26 T CB 1.652 70.341 68.868 -0.298 0.000 1.021 26 T HN 0.429 nan 8.240 nan 0.000 0.458 27 P HA 0.177 nan 4.420 nan 0.000 0.272 27 P C 0.562 177.749 177.300 -0.187 0.000 1.223 27 P CA -0.485 62.479 63.100 -0.227 0.000 0.784 27 P CB 1.402 33.107 31.700 0.009 0.000 0.923 28 K N 2.115 122.455 120.400 -0.101 0.000 2.103 28 K HA -0.087 4.236 4.320 0.006 0.000 0.204 28 K C 0.706 177.270 176.600 -0.060 0.000 1.052 28 K CA 1.052 57.292 56.287 -0.078 0.000 0.945 28 K CB 0.253 32.728 32.500 -0.040 0.000 0.722 28 K HN 0.515 nan 8.250 nan 0.000 0.443 29 R N -0.741 119.733 120.500 -0.043 0.000 2.869 29 R HA 0.478 4.822 4.340 0.006 0.000 0.263 29 R C -0.688 175.595 176.300 -0.027 0.000 1.066 29 R CA -1.146 54.928 56.100 -0.043 0.000 0.960 29 R CB 0.945 31.213 30.300 -0.053 0.000 1.221 29 R HN -0.163 nan 8.270 nan 0.000 0.474 30 R N -0.189 120.289 120.500 -0.036 0.000 2.867 30 R HA 0.664 5.007 4.340 0.006 0.000 0.268 30 R C -0.257 176.026 176.300 -0.029 0.000 1.014 30 R CA -0.257 55.830 56.100 -0.020 0.000 0.946 30 R CB 1.881 32.158 30.300 -0.038 0.000 1.208 30 R HN 0.964 nan 8.270 nan 0.000 0.477 31 G N 0.772 109.573 108.800 0.001 0.000 2.814 31 G HA2 -0.241 3.723 3.960 0.006 0.000 0.677 31 G HA3 -0.241 3.723 3.960 0.006 0.000 0.677 31 G C -0.965 173.949 174.900 0.024 0.000 1.429 31 G CA -0.400 44.714 45.100 0.023 0.000 0.868 31 G HN 0.571 nan 8.290 nan 0.000 0.553 32 W N 2.043 123.238 121.300 -0.176 0.000 2.272 32 W HA 0.554 5.217 4.660 0.006 0.000 0.318 32 W C 0.548 176.854 176.519 -0.354 0.000 1.255 32 W CA 0.418 57.575 57.345 -0.312 0.000 1.200 32 W CB 1.245 30.460 29.460 -0.408 0.000 1.170 32 W HN 1.083 nan 8.180 nan 0.000 0.549 33 T N 2.864 116.850 114.554 -0.946 0.000 2.809 33 T HA 0.328 4.681 4.350 0.006 0.000 0.284 33 T C -0.400 173.788 174.700 -0.852 0.000 0.992 33 T CA -0.592 61.119 62.100 -0.648 0.000 0.957 33 T CB 0.803 69.448 68.868 -0.372 0.000 0.942 33 T HN 0.463 nan 8.240 nan 0.000 0.439 34 W N 1.763 122.952 121.300 -0.185 0.000 1.777 34 W HA 0.480 5.143 4.660 0.006 0.000 0.376 34 W C 1.326 177.782 176.519 -0.104 0.000 1.628 34 W CA -1.118 56.187 57.345 -0.066 0.000 1.760 34 W CB 0.544 30.051 29.460 0.080 0.000 1.367 34 W HN 0.459 nan 8.180 nan 0.000 0.722 35 R N 0.484 121.140 120.500 0.259 0.000 2.573 35 R HA 0.230 4.573 4.340 0.006 0.000 0.272 35 R C -0.578 175.780 176.300 0.097 0.000 1.009 35 R CA -0.883 55.279 56.100 0.104 0.000 1.059 35 R CB 0.923 31.274 30.300 0.085 0.000 1.112 35 R HN 0.196 nan 8.270 nan 0.000 0.517 36 Q N 2.133 121.958 119.800 0.042 0.000 2.398 36 Q HA 0.289 4.632 4.340 0.006 0.000 0.251 36 Q C -2.353 173.657 176.000 0.018 0.000 0.999 36 Q CA -2.466 53.355 55.803 0.030 0.000 0.874 36 Q CB 1.230 29.976 28.738 0.012 0.000 1.215 36 Q HN 0.251 nan 8.270 nan 0.000 0.470 37 P HA -0.071 nan 4.420 nan 0.000 0.258 37 P C -0.739 176.567 177.300 0.010 0.000 1.172 37 P CA 0.477 63.584 63.100 0.012 0.000 0.762 37 P CB 0.441 32.145 31.700 0.007 0.000 0.764 38 A N 3.917 126.744 122.820 0.010 0.000 2.969 38 A HA 0.191 4.515 4.320 0.006 0.000 0.328 38 A C 0.268 177.868 177.584 0.027 0.000 1.355 38 A CA -0.494 51.550 52.037 0.013 0.000 1.018 38 A CB -0.468 18.536 19.000 0.006 0.000 1.159 38 A HN 0.453 nan 8.150 nan 0.000 0.505 39 E N 2.393 122.607 120.200 0.024 0.000 2.417 39 E HA 0.054 4.407 4.350 0.006 0.000 0.261 39 E C -0.282 176.341 176.600 0.039 0.000 1.000 39 E CA -0.049 56.368 56.400 0.029 0.000 0.919 39 E CB 0.187 29.898 29.700 0.018 0.000 0.955 39 E HN 0.647 nan 8.360 nan 0.000 0.455 40 N N 2.177 120.909 118.700 0.053 0.000 2.586 40 N HA -0.226 4.517 4.740 0.006 0.000 0.282 40 N C -1.176 174.380 175.510 0.076 0.000 1.171 40 N CA 0.384 53.472 53.050 0.063 0.000 0.733 40 N CB -0.725 37.786 38.487 0.039 0.000 0.910 40 N HN 0.234 nan 8.380 nan 0.000 0.548 41 L N 1.082 122.377 121.223 0.120 0.000 2.307 41 L HA 0.300 4.643 4.340 0.006 0.000 0.282 41 L C 0.560 177.543 176.870 0.189 0.000 1.051 41 L CA -0.285 54.634 54.840 0.130 0.000 0.804 41 L CB 1.415 43.544 42.059 0.116 0.000 1.197 41 L HN 0.394 nan 8.230 nan 0.000 0.431 42 Q N 5.195 125.076 119.800 0.136 0.000 2.340 42 Q HA 0.555 4.898 4.340 0.006 0.000 0.259 42 Q C -1.502 174.597 176.000 0.165 0.000 0.964 42 Q CA -0.233 55.655 55.803 0.142 0.000 0.900 42 Q CB 0.989 29.769 28.738 0.070 0.000 1.228 42 Q HN 0.760 nan 8.270 nan 0.000 0.449 43 M N 3.839 123.600 119.600 0.268 0.000 2.197 43 M HA 0.440 4.923 4.480 0.006 0.000 0.301 43 M C 0.445 176.879 176.300 0.223 0.000 0.987 43 M CA -0.103 55.341 55.300 0.241 0.000 0.921 43 M CB 1.899 34.658 32.600 0.266 0.000 1.569 43 M HN 1.031 nan 8.290 nan 0.000 0.431 44 G N 4.408 113.281 108.800 0.122 0.000 2.611 44 G HA2 -0.254 3.710 3.960 0.006 0.000 0.301 44 G HA3 -0.254 3.710 3.960 0.006 0.000 0.301 44 G C -2.113 172.735 174.900 -0.087 0.000 1.233 44 G CA 0.022 45.152 45.100 0.051 0.000 0.993 44 G HN 0.543 nan 8.290 nan 0.000 0.553 45 P HA 0.318 nan 4.420 nan 0.000 0.245 45 P C 0.064 177.014 177.300 -0.582 0.000 1.206 45 P CA 0.557 63.330 63.100 -0.545 0.000 0.781 45 P CB 0.124 31.294 31.700 -0.884 0.000 0.994 46 F N -0.193 119.733 119.950 -0.040 0.000 2.492 46 F HA 0.429 4.960 4.527 0.006 0.000 0.327 46 F C 0.788 176.448 175.800 -0.234 0.000 1.079 46 F CA -1.557 56.322 58.000 -0.201 0.000 0.967 46 F CB 1.026 39.789 39.000 -0.394 0.000 1.169 46 F HN -0.346 nan 8.300 nan 0.000 0.472 47 I N 2.363 122.889 120.570 -0.073 0.000 2.437 47 I HA 0.294 4.467 4.170 0.006 0.000 0.298 47 I C -1.213 174.756 176.117 -0.248 0.000 0.984 47 I CA -0.891 60.367 61.300 -0.071 0.000 1.214 47 I CB 1.587 39.583 38.000 -0.006 0.000 1.365 47 I HN 0.481 nan 8.210 nan 0.000 0.469 48 Y N 4.868 125.195 120.300 0.045 0.000 2.328 48 Y HA 0.298 4.852 4.550 0.006 0.000 0.336 48 Y C 0.994 176.900 175.900 0.010 0.000 0.960 48 Y CA -0.772 57.340 58.100 0.020 0.000 1.134 48 Y CB 1.542 40.013 38.460 0.017 0.000 1.166 48 Y HN 0.401 nan 8.280 nan 0.000 0.464 49 K N 0.836 121.307 120.400 0.119 0.000 2.228 49 K HA -0.013 4.310 4.320 0.006 0.000 0.202 49 K C -0.299 176.345 176.600 0.075 0.000 1.051 49 K CA 0.955 57.285 56.287 0.072 0.000 0.960 49 K CB 0.349 32.870 32.500 0.035 0.000 0.743 49 K HN 0.646 nan 8.250 nan 0.000 0.458 50 D N 0.379 120.838 120.400 0.098 0.000 2.788 50 D HA 0.235 4.878 4.640 0.006 0.000 0.289 50 D C -0.658 175.672 176.300 0.051 0.000 1.340 50 D CA 0.013 54.050 54.000 0.062 0.000 0.831 50 D CB 0.680 41.511 40.800 0.050 0.000 1.103 50 D HN 0.052 nan 8.370 nan 0.000 0.476 51 A N 0.207 123.058 122.820 0.051 0.000 2.299 51 A HA 0.754 5.078 4.320 0.006 0.000 0.332 51 A C 0.486 178.065 177.584 -0.008 0.000 1.131 51 A CA -0.447 51.584 52.037 -0.010 0.000 0.844 51 A CB 1.307 20.256 19.000 -0.085 0.000 1.251 51 A HN 0.128 nan 8.150 nan 0.000 0.486 52 S N -0.593 115.089 115.700 -0.029 0.000 2.766 52 S HA 0.642 5.115 4.470 0.006 0.000 0.307 52 S C -0.021 174.559 174.600 -0.034 0.000 1.121 52 S CA -0.291 57.899 58.200 -0.017 0.000 0.980 52 S CB 0.525 63.722 63.200 -0.005 0.000 1.159 52 S HN 0.797 nan 8.310 nan 0.000 0.546 53 T N 3.586 118.124 114.554 -0.026 0.000 2.866 53 T HA 0.240 4.593 4.350 0.006 0.000 0.293 53 T C -2.310 172.359 174.700 -0.051 0.000 1.005 53 T CA -0.147 61.933 62.100 -0.034 0.000 1.162 53 T CB -0.520 68.329 68.868 -0.032 0.000 0.968 53 T HN 0.475 nan 8.240 nan 0.000 0.530 54 P HA 0.152 nan 4.420 nan 0.000 0.269 54 P C -0.125 177.131 177.300 -0.074 0.000 1.217 54 P CA -0.296 62.765 63.100 -0.065 0.000 0.783 54 P CB 0.449 32.119 31.700 -0.050 0.000 0.898 55 L N 1.364 122.533 121.223 -0.090 0.000 2.399 55 L HA 0.243 4.586 4.340 0.006 0.000 0.265 55 L C 1.600 178.393 176.870 -0.128 0.000 1.089 55 L CA -0.250 54.515 54.840 -0.125 0.000 0.802 55 L CB 0.384 42.343 42.059 -0.166 0.000 1.180 55 L HN 0.448 nan 8.230 nan 0.000 0.454 56 E N 0.208 120.313 120.200 -0.157 0.000 2.230 56 E HA 0.031 4.385 4.350 0.006 0.000 0.192 56 E C -0.300 176.191 176.600 -0.183 0.000 0.987 56 E CA 0.585 56.902 56.400 -0.140 0.000 0.841 56 E CB 0.259 29.884 29.700 -0.126 0.000 0.783 56 E HN 0.446 nan 8.360 nan 0.000 0.481 57 N N 0.254 118.758 118.700 -0.327 0.000 2.310 57 N HA 0.267 5.011 4.740 0.006 0.000 0.292 57 N C -1.343 173.796 175.510 -0.619 0.000 1.049 57 N CA -0.246 52.502 53.050 -0.503 0.000 0.849 57 N CB 2.165 40.134 38.487 -0.864 0.000 1.532 57 N HN 0.032 nan 8.380 nan 0.000 0.479 58 S N -0.334 115.249 115.700 -0.194 0.000 2.611 58 S HA 0.540 5.013 4.470 0.006 0.000 0.268 58 S C -1.710 173.041 174.600 0.253 0.000 1.156 58 S CA -0.706 57.512 58.200 0.029 0.000 0.817 58 S CB 0.852 64.015 63.200 -0.063 0.000 1.122 58 S HN 0.052 nan 8.310 nan 0.000 0.466 59 V N 1.956 121.908 119.914 0.064 0.000 2.347 59 V HA 0.772 4.896 4.120 0.006 0.000 0.280 59 V C 0.810 176.867 176.094 -0.062 0.000 1.021 59 V CA -0.048 62.189 62.300 -0.105 0.000 0.847 59 V CB 0.563 32.074 31.823 -0.519 0.000 0.990 59 V HN 1.207 nan 8.190 nan 0.000 0.444 60 A N 5.398 128.236 122.820 0.029 0.000 2.286 60 A HA 0.775 5.098 4.320 0.006 0.000 0.286 60 A C 0.026 177.676 177.584 0.108 0.000 1.097 60 A CA -0.602 51.476 52.037 0.069 0.000 0.821 60 A CB 0.334 19.382 19.000 0.080 0.000 1.076 60 A HN 0.822 nan 8.150 nan 0.000 0.490 61 L N 1.158 122.459 121.223 0.130 0.000 2.503 61 L HA 0.036 4.379 4.340 0.006 0.000 0.287 61 L C -1.316 175.641 176.870 0.145 0.000 1.252 61 L CA -0.946 53.983 54.840 0.149 0.000 0.835 61 L CB -0.066 42.082 42.059 0.148 0.000 1.099 61 L HN 0.552 nan 8.230 nan 0.000 0.516 62 P HA -0.109 nan 4.420 nan 0.000 0.214 62 P C 1.441 178.831 177.300 0.150 0.000 1.162 62 P CA 1.104 64.276 63.100 0.120 0.000 0.879 62 P CB 0.122 31.891 31.700 0.116 0.000 0.786 63 S N -0.198 115.637 115.700 0.225 0.000 2.484 63 S HA -0.190 4.283 4.470 0.006 0.000 0.250 63 S C 1.875 176.722 174.600 0.411 0.000 0.995 63 S CA 1.164 59.582 58.200 0.362 0.000 0.967 63 S CB -1.047 62.374 63.200 0.369 0.000 0.752 63 S HN 0.211 nan 8.310 nan 0.000 0.517 64 A N 2.156 125.149 122.820 0.288 0.000 2.066 64 A HA -0.114 4.209 4.320 0.006 0.000 0.218 64 A C 2.038 179.736 177.584 0.190 0.000 1.157 64 A CA 1.138 53.367 52.037 0.320 0.000 0.670 64 A CB -0.363 18.769 19.000 0.220 0.000 0.804 64 A HN 0.701 nan 8.150 nan 0.000 0.453 65 K N -0.940 119.461 120.400 0.001 0.000 2.009 65 K HA -0.236 4.087 4.320 0.006 0.000 0.210 65 K C 1.648 178.128 176.600 -0.200 0.000 1.049 65 K CA 1.823 58.017 56.287 -0.155 0.000 0.929 65 K CB -0.886 31.417 32.500 -0.328 0.000 0.714 65 K HN 0.433 nan 8.250 nan 0.000 0.440 66 Y N 0.797 120.987 120.300 -0.182 0.000 2.241 66 Y HA -0.146 4.407 4.550 0.006 0.000 0.286 66 Y C 1.264 176.863 175.900 -0.503 0.000 1.166 66 Y CA 0.940 58.790 58.100 -0.417 0.000 1.203 66 Y CB -0.536 37.512 38.460 -0.686 0.000 0.977 66 Y HN 0.010 nan 8.280 nan 0.000 0.529 67 F N -0.525 119.576 119.950 0.251 0.000 2.925 67 F HA 0.479 5.009 4.527 0.006 0.000 0.302 67 F C 1.383 177.263 175.800 0.132 0.000 1.189 67 F CA -0.570 57.558 58.000 0.212 0.000 1.346 67 F CB 0.048 39.247 39.000 0.332 0.000 0.954 67 F HN 0.040 nan 8.300 nan 0.000 0.506 68 G N 0.625 109.518 108.800 0.155 0.000 2.283 68 G HA2 -0.332 3.631 3.960 0.006 0.000 0.280 68 G HA3 -0.332 3.631 3.960 0.006 0.000 0.280 68 G C 0.212 175.180 174.900 0.114 0.000 1.029 68 G CA 0.472 45.634 45.100 0.103 0.000 0.840 68 G HN 0.608 nan 8.290 nan 0.000 0.505 69 D N -1.350 119.130 120.400 0.133 0.000 2.775 69 D HA -0.198 4.446 4.640 0.006 0.000 0.235 69 D C 0.992 177.363 176.300 0.118 0.000 1.120 69 D CA 1.471 55.538 54.000 0.112 0.000 0.708 69 D CB -1.336 39.503 40.800 0.064 0.000 1.084 69 D HN 1.119 nan 8.370 nan 0.000 0.434 70 I N -2.429 118.239 120.570 0.163 0.000 2.612 70 I HA 0.485 4.658 4.170 0.006 0.000 0.295 70 I C 0.259 176.433 176.117 0.094 0.000 1.011 70 I CA -0.182 61.197 61.300 0.131 0.000 1.326 70 I CB 1.315 39.426 38.000 0.186 0.000 1.427 70 I HN -0.295 nan 8.210 nan 0.000 0.537 71 D N 5.544 125.964 120.400 0.034 0.000 2.443 71 D HA 0.453 5.096 4.640 0.006 0.000 0.281 71 D C -2.571 173.682 176.300 -0.078 0.000 1.210 71 D CA -1.691 52.308 54.000 -0.002 0.000 0.875 71 D CB 0.899 41.703 40.800 0.007 0.000 1.125 71 D HN 0.321 nan 8.370 nan 0.000 0.503 72 P HA 0.088 nan 4.420 nan 0.000 0.266 72 P C -0.601 176.586 177.300 -0.189 0.000 1.195 72 P CA -0.023 62.877 63.100 -0.332 0.000 0.768 72 P CB 0.562 31.865 31.700 -0.661 0.000 0.838 73 Q N 3.939 123.642 119.800 -0.162 0.000 2.331 73 Q HA 0.375 4.719 4.340 0.006 0.000 0.267 73 Q C -2.246 173.711 176.000 -0.072 0.000 1.006 73 Q CA -1.996 53.756 55.803 -0.085 0.000 0.818 73 Q CB 1.828 30.529 28.738 -0.061 0.000 1.276 73 Q HN 0.353 nan 8.270 nan 0.000 0.450 74 P HA 0.131 nan 4.420 nan 0.000 0.293 74 P C 0.508 177.813 177.300 0.009 0.000 1.298 74 P CA -0.341 62.753 63.100 -0.010 0.000 0.757 74 P CB 1.222 32.928 31.700 0.010 0.000 1.262 75 L N -0.957 120.280 121.223 0.024 0.000 2.102 75 L HA 0.128 4.471 4.340 0.006 0.000 0.202 75 L C -1.256 175.659 176.870 0.075 0.000 1.076 75 L CA 0.605 55.469 54.840 0.039 0.000 0.761 75 L CB -1.845 40.230 42.059 0.026 0.000 0.921 75 L HN 0.307 nan 8.230 nan 0.000 0.444 76 P HA -0.045 nan 4.420 nan 0.000 0.267 76 P C -0.690 176.701 177.300 0.153 0.000 1.201 76 P CA 0.209 63.386 63.100 0.128 0.000 0.775 76 P CB 0.463 32.221 31.700 0.097 0.000 0.854 77 V N 4.037 124.092 119.914 0.236 0.000 2.521 77 V HA 0.026 4.149 4.120 0.006 0.000 0.286 77 V C 0.599 176.791 176.094 0.164 0.000 1.034 77 V CA 0.045 62.455 62.300 0.184 0.000 1.045 77 V CB -0.158 31.791 31.823 0.210 0.000 0.974 77 V HN 0.316 nan 8.190 nan 0.000 0.480 78 I N 4.780 125.418 120.570 0.114 0.000 2.337 78 I HA 0.227 4.401 4.170 0.006 0.000 0.291 78 I C 0.789 176.974 176.117 0.113 0.000 1.046 78 I CA 0.161 61.520 61.300 0.098 0.000 1.324 78 I CB 0.612 38.654 38.000 0.071 0.000 1.409 78 I HN 0.561 nan 8.210 nan 0.000 0.494 79 T N 4.701 119.310 114.554 0.092 0.000 2.910 79 T HA 0.316 4.670 4.350 0.006 0.000 0.293 79 T C 0.464 175.140 174.700 -0.040 0.000 1.015 79 T CA -0.202 61.888 62.100 -0.016 0.000 1.094 79 T CB 1.333 70.093 68.868 -0.179 0.000 0.968 79 T HN 0.623 nan 8.240 nan 0.000 0.521 80 T N 2.080 116.600 114.554 -0.057 0.000 2.886 80 T HA 0.343 4.697 4.350 0.006 0.000 0.292 80 T C -1.002 173.673 174.700 -0.041 0.000 1.012 80 T CA -0.690 61.398 62.100 -0.021 0.000 0.982 80 T CB 1.090 69.981 68.868 0.038 0.000 1.018 80 T HN 0.601 nan 8.240 nan 0.000 0.451 81 E N 3.423 123.613 120.200 -0.017 0.000 2.081 81 E HA 0.462 4.815 4.350 0.006 0.000 0.276 81 E C -0.801 175.834 176.600 0.059 0.000 0.950 81 E CA -0.273 56.129 56.400 0.002 0.000 0.776 81 E CB 1.125 30.824 29.700 -0.002 0.000 1.094 81 E HN 0.460 nan 8.360 nan 0.000 0.402 82 I N 2.737 123.359 120.570 0.086 0.000 2.418 82 I HA 0.556 4.730 4.170 0.006 0.000 0.287 82 I C -0.784 175.422 176.117 0.149 0.000 1.008 82 I CA -0.319 61.060 61.300 0.132 0.000 1.104 82 I CB 1.676 39.768 38.000 0.153 0.000 1.264 82 I HN 0.567 nan 8.210 nan 0.000 0.438 83 A N 3.711 126.625 122.820 0.157 0.000 1.943 83 A HA 0.338 4.662 4.320 0.006 0.000 0.293 83 A C 0.113 177.800 177.584 0.172 0.000 1.143 83 A CA -0.216 51.919 52.037 0.165 0.000 0.916 83 A CB 0.060 19.134 19.000 0.124 0.000 1.297 83 A HN 0.668 nan 8.150 nan 0.000 0.372 84 S N 0.434 116.277 115.700 0.238 0.000 2.524 84 S HA 0.462 4.936 4.470 0.006 0.000 0.215 84 S C 1.517 176.347 174.600 0.384 0.000 0.986 84 S CA 0.918 59.294 58.200 0.292 0.000 0.911 84 S CB 0.450 63.894 63.200 0.407 0.000 0.805 84 S HN 2.607 nan 8.310 nan 0.000 0.501 85 G N 1.494 110.478 108.800 0.307 0.000 2.217 85 G HA2 -0.235 3.728 3.960 0.006 0.000 0.246 85 G HA3 -0.235 3.728 3.960 0.006 0.000 0.246 85 G C 0.155 175.195 174.900 0.232 0.000 0.990 85 G CA -0.164 45.100 45.100 0.274 0.000 0.627 85 G HN 0.532 nan 8.290 nan 0.000 0.522 86 R N 0.466 121.107 120.500 0.235 0.000 2.335 86 R HA 0.449 4.793 4.340 0.006 0.000 0.302 86 R C 1.539 177.888 176.300 0.081 0.000 1.147 86 R CA -0.303 55.805 56.100 0.014 0.000 1.111 86 R CB -0.071 30.012 30.300 -0.362 0.000 1.122 86 R HN 0.390 nan 8.270 nan 0.000 0.557 87 F N 2.188 122.172 119.950 0.057 0.000 2.161 87 F HA -0.221 4.310 4.527 0.008 0.000 0.300 87 F C 2.043 177.877 175.800 0.056 0.000 1.089 87 F CA 1.248 59.296 58.000 0.080 0.000 1.282 87 F CB -0.047 39.005 39.000 0.086 0.000 1.010 87 F HN 0.345 nan 8.300 nan 0.000 0.485 88 E N 0.685 120.433 120.200 -0.754 0.000 2.267 88 E HA -0.241 4.113 4.350 0.006 0.000 0.197 88 E C 0.929 177.414 176.600 -0.192 0.000 0.998 88 E CA 1.701 57.780 56.400 -0.536 0.000 0.830 88 E CB -0.857 28.492 29.700 -0.584 0.000 0.751 88 E HN 0.611 nan 8.360 nan 0.000 0.491 89 D N 0.693 121.040 120.400 -0.088 0.000 2.327 89 D HA -0.028 4.616 4.640 0.006 0.000 0.205 89 D C 0.742 177.127 176.300 0.143 0.000 0.989 89 D CA 0.409 54.444 54.000 0.058 0.000 0.873 89 D CB 0.185 41.091 40.800 0.177 0.000 0.955 89 D HN 0.154 nan 8.370 nan 0.000 0.515 90 D N 0.695 121.189 120.400 0.157 0.000 2.289 90 D HA 0.044 4.687 4.640 0.006 0.000 0.207 90 D C 2.194 178.584 176.300 0.150 0.000 0.966 90 D CA 0.034 54.153 54.000 0.198 0.000 0.868 90 D CB 0.284 41.230 40.800 0.243 0.000 0.943 90 D HN 0.243 nan 8.370 nan 0.000 0.514 91 I N 0.707 121.346 120.570 0.115 0.000 2.252 91 I HA -0.209 3.964 4.170 0.006 0.000 0.245 91 I C 2.255 178.400 176.117 0.047 0.000 1.102 91 I CA 0.890 62.244 61.300 0.089 0.000 1.385 91 I CB 0.010 38.055 38.000 0.074 0.000 1.064 91 I HN -0.087 nan 8.210 nan 0.000 0.414 92 R N -0.024 120.481 120.500 0.009 0.000 2.152 92 R HA -0.164 4.179 4.340 0.006 0.000 0.232 92 R C 2.357 178.616 176.300 -0.069 0.000 1.117 92 R CA 0.959 57.034 56.100 -0.041 0.000 0.981 92 R CB -0.263 29.986 30.300 -0.086 0.000 0.870 92 R HN 0.329 nan 8.270 nan 0.000 0.451 93 R N 0.495 120.973 120.500 -0.038 0.000 2.127 93 R HA 0.041 4.384 4.340 0.006 0.000 0.217 93 R C 2.103 178.445 176.300 0.071 0.000 1.074 93 R CA 0.781 56.870 56.100 -0.018 0.000 0.991 93 R CB 0.076 30.444 30.300 0.112 0.000 0.895 93 R HN 0.160 nan 8.270 nan 0.000 0.450 94 M N -0.286 119.372 119.600 0.096 0.000 2.213 94 M HA -0.170 4.313 4.480 0.006 0.000 0.263 94 M C 2.363 178.740 176.300 0.128 0.000 1.062 94 M CA 1.550 56.920 55.300 0.117 0.000 1.105 94 M CB -0.306 32.364 32.600 0.117 0.000 1.385 94 M HN 0.097 nan 8.290 nan 0.000 0.417 95 R N 0.928 121.499 120.500 0.118 0.000 2.070 95 R HA -0.119 4.224 4.340 0.006 0.000 0.232 95 R C 2.140 178.598 176.300 0.263 0.000 1.138 95 R CA 1.777 57.988 56.100 0.185 0.000 0.936 95 R CB -0.172 30.205 30.300 0.128 0.000 0.839 95 R HN 0.307 nan 8.270 nan 0.000 0.429 96 M N -0.014 119.669 119.600 0.139 0.000 2.106 96 M HA -0.206 4.277 4.480 0.006 0.000 0.259 96 M C 2.443 178.919 176.300 0.294 0.000 1.068 96 M CA 2.071 57.471 55.300 0.167 0.000 1.100 96 M CB -0.347 32.289 32.600 0.059 0.000 1.351 96 M HN 0.333 nan 8.290 nan 0.000 0.404 97 A N 0.140 123.086 122.820 0.211 0.000 1.969 97 A HA 0.040 4.363 4.320 0.006 0.000 0.218 97 A C 2.384 180.101 177.584 0.221 0.000 1.169 97 A CA 1.660 53.819 52.037 0.204 0.000 0.635 97 A CB -0.816 18.268 19.000 0.141 0.000 0.810 97 A HN 0.502 nan 8.150 nan 0.000 0.445 98 A N -1.080 121.866 122.820 0.210 0.000 1.877 98 A HA -0.159 4.165 4.320 0.006 0.000 0.216 98 A C 1.915 179.568 177.584 0.115 0.000 1.186 98 A CA 1.460 53.576 52.037 0.131 0.000 0.620 98 A CB -0.946 18.107 19.000 0.088 0.000 0.822 98 A HN 0.710 nan 8.150 nan 0.000 0.443 99 W N -0.478 120.833 121.300 0.018 0.000 2.350 99 W HA -0.107 4.557 4.660 0.007 0.000 0.289 99 W C 1.874 178.320 176.519 -0.122 0.000 1.215 99 W CA 1.466 58.773 57.345 -0.063 0.000 1.236 99 W CB -0.331 29.069 29.460 -0.099 0.000 1.130 99 W HN 0.459 nan 8.180 nan 0.000 0.541 100 H N -0.844 118.367 119.070 0.235 0.000 2.538 100 H HA 0.236 4.795 4.556 0.006 0.000 0.286 100 H C 1.764 177.146 175.328 0.090 0.000 1.035 100 H CA 0.978 57.114 56.048 0.147 0.000 1.169 100 H CB -0.030 29.808 29.762 0.127 0.000 1.417 100 H HN 0.283 nan 8.280 nan 0.000 0.567 101 G N 0.470 109.348 108.800 0.130 0.000 2.213 101 G HA2 -0.268 3.696 3.960 0.006 0.000 0.236 101 G HA3 -0.268 3.696 3.960 0.006 0.000 0.236 101 G C 0.608 175.546 174.900 0.063 0.000 0.991 101 G CA 0.003 45.143 45.100 0.068 0.000 0.629 101 G HN 0.615 nan 8.290 nan 0.000 0.517 102 A N 1.325 124.202 122.820 0.094 0.000 2.492 102 A HA 0.508 4.831 4.320 0.006 0.000 0.254 102 A C 0.919 178.533 177.584 0.050 0.000 1.091 102 A CA 1.017 53.101 52.037 0.078 0.000 0.768 102 A CB 0.177 19.234 19.000 0.095 0.000 1.028 102 A HN 0.866 nan 8.150 nan 0.000 0.498 103 D N 1.618 122.040 120.400 0.037 0.000 2.673 103 D HA 0.075 4.718 4.640 0.006 0.000 0.278 103 D C -0.250 176.053 176.300 0.006 0.000 1.393 103 D CA 0.015 54.009 54.000 -0.010 0.000 0.805 103 D CB -0.463 40.292 40.800 -0.074 0.000 1.110 103 D HN 0.737 nan 8.370 nan 0.000 0.476 104 H N 0.563 119.603 119.070 -0.050 0.000 3.108 104 H HA 0.310 4.870 4.556 0.006 0.000 0.329 104 H C -1.125 174.213 175.328 0.017 0.000 0.978 104 H CA -0.755 55.268 56.048 -0.042 0.000 1.413 104 H CB 1.206 30.960 29.762 -0.013 0.000 1.670 104 H HN -0.113 nan 8.280 nan 0.000 0.512 105 I N 5.872 126.561 120.570 0.197 0.000 2.312 105 I HA 0.185 4.358 4.170 0.006 0.000 0.290 105 I C 0.077 176.191 176.117 -0.004 0.000 1.008 105 I CA -0.383 60.973 61.300 0.094 0.000 1.226 105 I CB 1.022 39.150 38.000 0.213 0.000 1.371 105 I HN 0.665 nan 8.210 nan 0.000 0.468 106 M N 6.635 126.140 119.600 -0.158 0.000 2.129 106 M HA 0.393 4.876 4.480 0.006 0.000 0.348 106 M C -1.046 175.254 176.300 -0.001 0.000 1.116 106 M CA -0.487 54.723 55.300 -0.149 0.000 1.022 106 M CB 1.260 33.680 32.600 -0.299 0.000 1.599 106 M HN 0.270 nan 8.290 nan 0.000 0.449 107 V N 7.256 127.180 119.914 0.017 0.000 2.294 107 V HA 0.317 4.440 4.120 0.006 0.000 0.272 107 V C 0.245 176.447 176.094 0.181 0.000 1.027 107 V CA -0.587 61.763 62.300 0.084 0.000 0.823 107 V CB 0.570 32.421 31.823 0.047 0.000 1.030 107 V HN 0.753 nan 8.190 nan 0.000 0.457 108 I N 5.066 125.733 120.570 0.162 0.000 2.710 108 I HA 0.155 4.329 4.170 0.006 0.000 0.286 108 I C 0.941 177.060 176.117 0.003 0.000 1.181 108 I CA 0.081 61.416 61.300 0.059 0.000 1.430 108 I CB 0.222 38.209 38.000 -0.023 0.000 1.367 108 I HN 0.492 nan 8.210 nan 0.000 0.577 109 R N 3.025 123.454 120.500 -0.119 0.000 2.500 109 R HA 0.241 4.585 4.340 0.006 0.000 0.275 109 R C 0.263 176.516 176.300 -0.077 0.000 1.051 109 R CA -0.590 55.467 56.100 -0.072 0.000 1.088 109 R CB 0.804 31.035 30.300 -0.115 0.000 1.063 109 R HN 0.603 nan 8.270 nan 0.000 0.511 110 T N 0.975 115.515 114.554 -0.023 0.000 2.906 110 T HA 0.018 4.372 4.350 0.006 0.000 0.329 110 T C 0.369 175.043 174.700 -0.045 0.000 1.091 110 T CA -0.212 61.890 62.100 0.003 0.000 1.127 110 T CB 0.288 69.192 68.868 0.059 0.000 1.035 110 T HN 0.624 nan 8.240 nan 0.000 0.547 111 A N 2.988 125.807 122.820 -0.002 0.000 2.573 111 A HA 0.440 4.763 4.320 0.006 0.000 0.250 111 A C 1.643 179.226 177.584 -0.002 0.000 1.049 111 A CA 0.482 52.518 52.037 -0.001 0.000 0.767 111 A CB -1.234 17.787 19.000 0.034 0.000 0.965 111 A HN 2.252 nan 8.150 nan 0.000 0.514 112 G N 1.723 110.514 108.800 -0.015 0.000 2.198 112 G HA2 -0.317 3.647 3.960 0.006 0.000 0.260 112 G HA3 -0.317 3.647 3.960 0.006 0.000 0.260 112 G C 0.682 175.482 174.900 -0.167 0.000 1.025 112 G CA 0.771 45.894 45.100 0.038 0.000 0.769 112 G HN 1.041 nan 8.290 nan 0.000 0.507 113 Q N -0.317 119.236 119.800 -0.413 0.000 2.364 113 Q HA 0.050 4.394 4.340 0.006 0.000 0.207 113 Q C 2.495 178.212 176.000 -0.472 0.000 0.970 113 Q CA 1.250 56.529 55.803 -0.874 0.000 0.888 113 Q CB -0.186 28.167 28.738 -0.642 0.000 0.951 113 Q HN 0.523 nan 8.270 nan 0.000 0.469 114 S N -0.426 115.122 115.700 -0.253 0.000 2.465 114 S HA -0.118 4.355 4.470 0.006 0.000 0.241 114 S C 0.997 175.444 174.600 -0.255 0.000 1.000 114 S CA 0.643 58.717 58.200 -0.210 0.000 0.964 114 S CB -0.126 62.960 63.200 -0.191 0.000 0.763 114 S HN 0.507 nan 8.310 nan 0.000 0.512 115 H N -1.042 118.024 119.070 -0.007 0.000 2.622 115 H HA 0.174 4.733 4.556 0.006 0.000 0.269 115 H C -0.488 174.993 175.328 0.256 0.000 0.977 115 H CA -0.036 56.078 56.048 0.109 0.000 1.179 115 H CB 0.175 30.008 29.762 0.118 0.000 1.458 115 H HN 0.286 nan 8.280 nan 0.000 0.531 116 Y N 1.875 122.230 120.300 0.091 0.000 2.587 116 Y HA 0.015 4.568 4.550 0.005 0.000 0.344 116 Y C 0.788 176.708 175.900 0.034 0.000 1.061 116 Y CA -1.002 57.131 58.100 0.055 0.000 1.370 116 Y CB -0.234 38.245 38.460 0.032 0.000 1.163 116 Y HN 0.074 nan 8.280 nan 0.000 0.527 117 D N 2.408 122.912 120.400 0.174 0.000 2.767 117 D HA 0.416 5.059 4.640 0.006 0.000 0.231 117 D C 0.489 176.838 176.300 0.082 0.000 1.105 117 D CA 0.695 54.758 54.000 0.105 0.000 1.024 117 D CB -0.485 40.364 40.800 0.083 0.000 1.123 117 D HN 0.805 nan 8.370 nan 0.000 0.470 118 G N 0.382 109.236 108.800 0.091 0.000 2.340 118 G HA2 -0.003 3.960 3.960 0.006 0.000 0.527 118 G HA3 -0.003 3.960 3.960 0.006 0.000 0.527 118 G C -0.721 174.228 174.900 0.082 0.000 1.381 118 G CA -0.978 44.160 45.100 0.064 0.000 1.001 118 G HN 0.264 nan 8.290 nan 0.000 0.626 119 L N 0.154 121.408 121.223 0.050 0.000 2.479 119 L HA 0.573 4.916 4.340 0.006 0.000 0.270 119 L C 1.097 178.006 176.870 0.066 0.000 1.236 119 L CA -0.239 54.634 54.840 0.056 0.000 0.823 119 L CB 0.382 42.455 42.059 0.023 0.000 1.098 119 L HN 0.711 nan 8.230 nan 0.000 0.500 120 I N -2.562 118.059 120.570 0.086 0.000 2.892 120 I HA 0.626 4.800 4.170 0.006 0.000 0.306 120 I C -0.765 175.368 176.117 0.028 0.000 1.078 120 I CA -0.872 60.460 61.300 0.053 0.000 1.032 120 I CB 2.199 40.256 38.000 0.095 0.000 1.229 120 I HN 0.361 nan 8.210 nan 0.000 0.435 121 E N 1.958 122.156 120.200 -0.003 0.000 2.263 121 E HA 0.770 5.124 4.350 0.006 0.000 0.264 121 E C 0.157 176.742 176.600 -0.025 0.000 0.923 121 E CA 0.019 56.401 56.400 -0.031 0.000 0.802 121 E CB 1.842 31.503 29.700 -0.065 0.000 1.228 121 E HN 1.101 nan 8.360 nan 0.000 0.417 122 G N 0.587 109.361 108.800 -0.044 0.000 2.466 122 G HA2 -0.198 3.765 3.960 0.006 0.000 0.218 122 G HA3 -0.198 3.765 3.960 0.006 0.000 0.218 122 G C -0.384 174.531 174.900 0.024 0.000 1.237 122 G CA -0.001 45.089 45.100 -0.017 0.000 0.954 122 G HN 0.893 nan 8.290 nan 0.000 0.580 123 T N -1.416 113.180 114.554 0.070 0.000 3.954 123 T HA 0.611 4.965 4.350 0.006 0.000 0.226 123 T C -2.319 172.462 174.700 0.134 0.000 1.049 123 T CA 0.103 62.289 62.100 0.143 0.000 1.481 123 T CB 1.916 70.968 68.868 0.305 0.000 0.853 123 T HN 0.686 nan 8.240 nan 0.000 0.632 124 P HA 0.127 nan 4.420 nan 0.000 0.271 124 P C -0.396 176.963 177.300 0.098 0.000 1.233 124 P CA -0.212 62.935 63.100 0.079 0.000 0.789 124 P CB 0.832 32.574 31.700 0.071 0.000 0.951 125 Q N 0.581 120.419 119.800 0.065 0.000 2.286 125 Q HA 0.413 4.757 4.340 0.006 0.000 0.257 125 Q C 0.322 176.384 176.000 0.104 0.000 0.941 125 Q CA -0.439 55.402 55.803 0.062 0.000 0.912 125 Q CB 0.534 29.265 28.738 -0.011 0.000 1.192 125 Q HN 0.602 nan 8.270 nan 0.000 0.410 126 G N 3.101 111.983 108.800 0.138 0.000 2.557 126 G HA2 0.462 4.426 3.960 0.006 0.000 0.292 126 G HA3 0.462 4.426 3.960 0.006 0.000 0.292 126 G C -1.012 173.980 174.900 0.153 0.000 1.237 126 G CA -0.656 44.531 45.100 0.145 0.000 0.978 126 G HN 0.728 nan 8.290 nan 0.000 0.498 127 I N -0.058 120.589 120.570 0.128 0.000 2.439 127 I HA 0.484 4.657 4.170 0.006 0.000 0.285 127 I C 0.757 176.925 176.117 0.086 0.000 1.021 127 I CA -0.111 61.258 61.300 0.115 0.000 1.091 127 I CB 0.964 39.022 38.000 0.096 0.000 1.242 127 I HN 0.983 nan 8.210 nan 0.000 0.439 128 G N 5.069 113.922 108.800 0.088 0.000 2.369 128 G HA2 0.093 4.056 3.960 0.006 0.000 0.286 128 G HA3 0.093 4.056 3.960 0.006 0.000 0.286 128 G C 0.278 175.205 174.900 0.044 0.000 0.938 128 G CA 0.521 45.654 45.100 0.055 0.000 1.271 128 G HN 1.558 nan 8.290 nan 0.000 0.488 129 G N -2.496 106.351 108.800 0.079 0.000 2.339 129 G HA2 0.438 4.401 3.960 0.006 0.000 0.381 129 G HA3 0.438 4.401 3.960 0.006 0.000 0.381 129 G C -0.899 174.068 174.900 0.111 0.000 1.400 129 G CA -0.186 44.954 45.100 0.066 0.000 1.002 129 G HN 1.309 nan 8.290 nan 0.000 0.633 130 V N 2.024 122.006 119.914 0.114 0.000 2.394 130 V HA 0.542 4.666 4.120 0.006 0.000 0.282 130 V C -1.931 174.229 176.094 0.111 0.000 1.031 130 V CA -1.434 60.955 62.300 0.148 0.000 0.881 130 V CB 2.006 33.936 31.823 0.178 0.000 0.982 130 V HN 0.576 nan 8.190 nan 0.000 0.451 131 P HA 0.215 nan 4.420 nan 0.000 0.271 131 P C -0.528 176.821 177.300 0.082 0.000 1.226 131 P CA -0.224 62.941 63.100 0.107 0.000 0.765 131 P CB 0.407 32.194 31.700 0.144 0.000 0.835 132 I N 4.313 124.929 120.570 0.077 0.000 2.294 132 I HA 0.190 4.364 4.170 0.006 0.000 0.295 132 I C 0.909 177.078 176.117 0.086 0.000 1.098 132 I CA 0.707 62.065 61.300 0.096 0.000 1.277 132 I CB -0.248 37.834 38.000 0.136 0.000 1.434 132 I HN 0.339 nan 8.210 nan 0.000 0.498 133 T N 2.416 117.005 114.554 0.058 0.000 2.907 133 T HA 0.443 4.797 4.350 0.006 0.000 0.290 133 T C 1.140 175.878 174.700 0.063 0.000 1.066 133 T CA -0.806 61.324 62.100 0.049 0.000 1.012 133 T CB 1.522 70.399 68.868 0.015 0.000 1.184 133 T HN 0.487 nan 8.240 nan 0.000 0.522 134 R N 0.415 120.958 120.500 0.072 0.000 2.096 134 R HA -0.074 4.269 4.340 0.006 0.000 0.235 134 R C 2.288 178.683 176.300 0.159 0.000 1.127 134 R CA 1.784 57.966 56.100 0.136 0.000 0.968 134 R CB -0.298 30.093 30.300 0.152 0.000 0.861 134 R HN 0.785 nan 8.270 nan 0.000 0.440 135 K N 0.323 120.783 120.400 0.101 0.000 2.025 135 K HA -0.209 4.114 4.320 0.006 0.000 0.207 135 K C 2.221 178.775 176.600 -0.077 0.000 1.049 135 K CA 1.674 58.041 56.287 0.133 0.000 0.933 135 K CB -0.154 32.398 32.500 0.086 0.000 0.714 135 K HN 0.160 nan 8.250 nan 0.000 0.438 136 Q N 0.839 120.480 119.800 -0.266 0.000 2.170 136 Q HA -0.129 4.215 4.340 0.006 0.000 0.203 136 Q C 1.824 177.624 176.000 -0.334 0.000 0.976 136 Q CA 1.633 57.026 55.803 -0.684 0.000 0.858 136 Q CB 0.041 28.390 28.738 -0.649 0.000 0.907 136 Q HN 0.288 nan 8.270 nan 0.000 0.433 137 V N 0.977 120.850 119.914 -0.068 0.000 2.488 137 V HA -0.152 3.972 4.120 0.006 0.000 0.246 137 V C 2.551 178.617 176.094 -0.047 0.000 1.046 137 V CA 1.643 63.986 62.300 0.073 0.000 1.053 137 V CB -0.509 31.458 31.823 0.241 0.000 0.679 137 V HN 0.300 nan 8.190 nan 0.000 0.458 138 R N 0.322 120.800 120.500 -0.037 0.000 2.073 138 R HA -0.103 4.241 4.340 0.006 0.000 0.234 138 R C 2.466 178.554 176.300 -0.354 0.000 1.134 138 R CA 1.510 57.519 56.100 -0.152 0.000 0.952 138 R CB -0.644 29.634 30.300 -0.038 0.000 0.850 138 R HN 0.504 nan 8.270 nan 0.000 0.433 139 A N 0.908 123.607 122.820 -0.202 0.000 1.978 139 A HA -0.231 4.093 4.320 0.006 0.000 0.220 139 A C 1.985 179.486 177.584 -0.139 0.000 1.170 139 A CA 1.388 53.351 52.037 -0.124 0.000 0.636 139 A CB -0.303 18.779 19.000 0.135 0.000 0.810 139 A HN 0.368 nan 8.150 nan 0.000 0.448 140 Q N -1.765 117.925 119.800 -0.183 0.000 2.165 140 Q HA -0.059 4.285 4.340 0.006 0.000 0.197 140 Q C 2.336 178.063 176.000 -0.455 0.000 0.952 140 Q CA 1.026 56.699 55.803 -0.217 0.000 0.848 140 Q CB -0.074 28.585 28.738 -0.132 0.000 0.931 140 Q HN 0.520 nan 8.270 nan 0.000 0.470 141 R N 1.752 121.902 120.500 -0.583 0.000 2.120 141 R HA -0.120 4.223 4.340 0.006 0.000 0.234 141 R C 1.899 178.022 176.300 -0.294 0.000 1.123 141 R CA 1.574 57.367 56.100 -0.511 0.000 0.975 141 R CB -0.097 30.034 30.300 -0.282 0.000 0.866 141 R HN 0.050 nan 8.270 nan 0.000 0.446 142 K N -0.677 119.429 120.400 -0.491 0.000 2.021 142 K HA -0.004 4.319 4.320 0.006 0.000 0.205 142 K C 1.895 178.385 176.600 -0.183 0.000 1.047 142 K CA 1.185 57.187 56.287 -0.475 0.000 0.943 142 K CB -0.273 31.632 32.500 -0.991 0.000 0.725 142 K HN 0.173 nan 8.250 nan 0.000 0.439 143 A N 1.719 124.439 122.820 -0.167 0.000 1.917 143 A HA -0.168 4.155 4.320 0.006 0.000 0.219 143 A C 2.126 179.676 177.584 -0.056 0.000 1.182 143 A CA 1.447 53.442 52.037 -0.071 0.000 0.633 143 A CB -0.744 18.236 19.000 -0.034 0.000 0.819 143 A HN 0.391 nan 8.150 nan 0.000 0.448 144 L N -0.603 120.560 121.223 -0.101 0.000 2.362 144 L HA -0.153 4.191 4.340 0.006 0.000 0.219 144 L C 1.575 178.417 176.870 -0.047 0.000 1.134 144 L CA 0.888 55.684 54.840 -0.073 0.000 0.807 144 L CB -0.388 41.599 42.059 -0.122 0.000 0.927 144 L HN 0.332 nan 8.230 nan 0.000 0.447 145 D N -0.269 120.113 120.400 -0.030 0.000 2.149 145 D HA -0.103 4.541 4.640 0.006 0.000 0.201 145 D C 2.308 178.609 176.300 0.001 0.000 0.972 145 D CA 0.985 54.987 54.000 0.004 0.000 0.835 145 D CB 0.044 40.885 40.800 0.069 0.000 0.966 145 D HN 0.264 nan 8.370 nan 0.000 0.476 146 L N 0.421 121.648 121.223 0.006 0.000 1.988 146 L HA -0.061 4.282 4.340 0.006 0.000 0.207 146 L C 2.507 179.382 176.870 0.007 0.000 1.071 146 L CA 0.781 55.628 54.840 0.012 0.000 0.744 146 L CB -0.565 41.506 42.059 0.020 0.000 0.893 146 L HN -0.035 nan 8.230 nan 0.000 0.433 147 I N 0.572 121.151 120.570 0.016 0.000 2.300 147 I HA -0.328 3.845 4.170 0.006 0.000 0.252 147 I C 2.705 178.800 176.117 -0.037 0.000 1.119 147 I CA 1.880 63.193 61.300 0.021 0.000 1.384 147 I CB -0.551 37.478 38.000 0.048 0.000 1.062 147 I HN 0.495 nan 8.210 nan 0.000 0.426 148 E N 1.669 121.843 120.200 -0.044 0.000 2.158 148 E HA -0.207 4.147 4.350 0.006 0.000 0.191 148 E C 1.742 178.291 176.600 -0.085 0.000 0.982 148 E CA 0.955 57.311 56.400 -0.072 0.000 0.823 148 E CB -0.138 29.522 29.700 -0.067 0.000 0.766 148 E HN 0.570 nan 8.360 nan 0.000 0.468 149 E N 1.358 121.520 120.200 -0.062 0.000 2.015 149 E HA -0.215 4.138 4.350 0.006 0.000 0.191 149 E C 2.112 178.658 176.600 -0.090 0.000 0.991 149 E CA 1.275 57.636 56.400 -0.064 0.000 0.802 149 E CB -0.168 29.510 29.700 -0.038 0.000 0.759 149 E HN 0.350 nan 8.360 nan 0.000 0.447 150 E N 0.728 120.880 120.200 -0.081 0.000 2.114 150 E HA -0.230 4.124 4.350 0.006 0.000 0.199 150 E C 2.091 178.526 176.600 -0.275 0.000 1.008 150 E CA 2.087 58.418 56.400 -0.114 0.000 0.810 150 E CB 0.076 29.760 29.700 -0.027 0.000 0.739 150 E HN 0.270 nan 8.360 nan 0.000 0.456 151 V N -3.515 116.208 119.914 -0.319 0.000 3.354 151 V HA 0.325 4.449 4.120 0.006 0.000 0.258 151 V C 1.301 177.230 176.094 -0.275 0.000 1.159 151 V CA 0.648 62.683 62.300 -0.442 0.000 1.125 151 V CB 0.038 31.576 31.823 -0.475 0.000 0.774 151 V HN 0.329 nan 8.190 nan 0.000 0.464 152 G N 0.790 109.477 108.800 -0.189 0.000 2.212 152 G HA2 -0.247 3.716 3.960 0.006 0.000 0.255 152 G HA3 -0.247 3.716 3.960 0.006 0.000 0.255 152 G C 0.062 174.890 174.900 -0.119 0.000 1.062 152 G CA 0.466 45.484 45.100 -0.137 0.000 0.815 152 G HN 0.979 nan 8.290 nan 0.000 0.497 153 R N -0.179 120.249 120.500 -0.120 0.000 2.633 153 R HA 0.359 4.703 4.340 0.006 0.000 0.256 153 R C -3.085 173.147 176.300 -0.113 0.000 1.131 153 R CA -1.339 54.696 56.100 -0.108 0.000 0.994 153 R CB 1.947 32.183 30.300 -0.106 0.000 1.261 153 R HN 0.058 nan 8.270 nan 0.000 0.446 154 P HA 0.169 nan 4.420 nan 0.000 0.267 154 P C -0.312 176.888 177.300 -0.167 0.000 1.209 154 P CA 0.052 63.071 63.100 -0.135 0.000 0.763 154 P CB 0.688 32.297 31.700 -0.152 0.000 0.816 155 I N 3.637 124.126 120.570 -0.135 0.000 2.321 155 I HA 0.199 4.372 4.170 0.006 0.000 0.291 155 I C 0.823 176.859 176.117 -0.135 0.000 0.998 155 I CA -0.682 60.546 61.300 -0.119 0.000 1.227 155 I CB 0.768 38.742 38.000 -0.045 0.000 1.368 155 I HN 0.193 nan 8.210 nan 0.000 0.466 156 N N 5.571 124.131 118.700 -0.233 0.000 2.497 156 N HA 0.119 4.862 4.740 0.006 0.000 0.271 156 N C -1.005 174.577 175.510 0.120 0.000 1.142 156 N CA -0.128 52.775 53.050 -0.245 0.000 0.965 156 N CB 1.443 39.444 38.487 -0.810 0.000 1.077 156 N HN 0.419 nan 8.380 nan 0.000 0.462 157 Y N 1.384 121.690 120.300 0.010 0.000 2.387 157 Y HA 0.317 4.871 4.550 0.005 0.000 0.336 157 Y C -0.721 175.254 175.900 0.126 0.000 1.067 157 Y CA -0.711 57.431 58.100 0.071 0.000 1.114 157 Y CB 0.904 39.353 38.460 -0.019 0.000 1.208 157 Y HN 0.585 nan 8.280 nan 0.000 0.458 158 H N 2.473 121.268 119.070 -0.458 0.000 3.026 158 H HA 0.580 5.139 4.556 0.006 0.000 0.352 158 H C -1.260 173.795 175.328 -0.455 0.000 1.090 158 H CA -0.147 55.740 56.048 -0.269 0.000 1.268 158 H CB 1.724 31.596 29.762 0.185 0.000 1.816 158 H HN 0.702 nan 8.280 nan 0.000 0.518 159 S N 2.490 117.884 115.700 -0.510 0.000 3.121 159 S HA 0.492 4.966 4.470 0.006 0.000 0.324 159 S C -1.855 172.625 174.600 -0.201 0.000 1.192 159 S CA -0.553 57.530 58.200 -0.194 0.000 0.937 159 S CB 0.579 63.779 63.200 -0.001 0.000 1.336 159 S HN 0.490 nan 8.310 nan 0.000 0.664 160 Y N 0.290 120.663 120.300 0.122 0.000 2.393 160 Y HA 0.550 5.104 4.550 0.006 0.000 0.341 160 Y C 0.592 176.523 175.900 0.051 0.000 0.988 160 Y CA -0.648 57.483 58.100 0.050 0.000 1.078 160 Y CB 1.827 40.221 38.460 -0.110 0.000 1.203 160 Y HN 0.286 nan 8.280 nan 0.000 0.453 161 V N 1.093 121.093 119.914 0.143 0.000 3.578 161 V HA 0.002 4.125 4.120 0.006 0.000 0.290 161 V C 0.379 176.475 176.094 0.003 0.000 1.376 161 V CA 0.172 62.474 62.300 0.004 0.000 1.083 161 V CB -0.073 31.753 31.823 0.006 0.000 0.911 161 V HN 0.770 nan 8.190 nan 0.000 0.433 162 S N 0.915 116.646 115.700 0.051 0.000 2.558 162 S HA 0.460 4.933 4.470 0.006 0.000 0.287 162 S C 0.679 175.293 174.600 0.023 0.000 1.321 162 S CA 0.808 59.044 58.200 0.059 0.000 1.048 162 S CB 0.664 63.892 63.200 0.047 0.000 0.844 162 S HN 0.922 nan 8.310 nan 0.000 0.512 163 G N 0.065 108.876 108.800 0.019 0.000 2.280 163 G HA2 -0.057 3.906 3.960 0.006 0.000 0.277 163 G HA3 -0.057 3.906 3.960 0.006 0.000 0.277 163 G C 0.325 175.189 174.900 -0.060 0.000 1.288 163 G CA -0.153 44.913 45.100 -0.056 0.000 1.075 163 G HN 1.435 nan 8.290 nan 0.000 0.480 164 V N -2.895 116.985 119.914 -0.057 0.000 3.471 164 V HA 0.655 4.779 4.120 0.006 0.000 0.258 164 V C 1.589 177.687 176.094 0.005 0.000 1.192 164 V CA 1.908 64.198 62.300 -0.018 0.000 1.116 164 V CB 0.442 32.273 31.823 0.013 0.000 0.792 164 V HN 2.309 nan 8.190 nan 0.000 0.459 165 A N 0.657 123.476 122.820 -0.002 0.000 2.985 165 A HA 0.711 5.035 4.320 0.006 0.000 0.303 165 A C 1.593 179.156 177.584 -0.035 0.000 1.048 165 A CA 0.357 52.394 52.037 0.000 0.000 1.016 165 A CB -0.296 18.716 19.000 0.020 0.000 1.118 165 A HN 0.484 nan 8.150 nan 0.000 0.529 166 G N 1.499 110.278 108.800 -0.035 0.000 2.459 166 G HA2 -0.141 3.823 3.960 0.006 0.000 0.217 166 G HA3 -0.141 3.823 3.960 0.006 0.000 0.217 166 G C -0.348 174.518 174.900 -0.056 0.000 1.183 166 G CA 1.376 46.446 45.100 -0.051 0.000 0.776 166 G HN 0.485 nan 8.290 nan 0.000 0.552 167 P HA -0.003 nan 4.420 nan 0.000 0.218 167 P C 0.801 178.082 177.300 -0.032 0.000 1.149 167 P CA 1.434 64.526 63.100 -0.013 0.000 0.817 167 P CB -0.023 31.690 31.700 0.022 0.000 0.785 168 D N -0.465 119.913 120.400 -0.036 0.000 2.084 168 D HA -0.143 4.500 4.640 0.006 0.000 0.194 168 D C 1.928 178.162 176.300 -0.111 0.000 0.990 168 D CA 1.018 54.990 54.000 -0.046 0.000 0.826 168 D CB -0.930 39.855 40.800 -0.025 0.000 0.971 168 D HN 0.133 nan 8.370 nan 0.000 0.453 169 I N 0.849 121.299 120.570 -0.199 0.000 2.226 169 I HA -0.277 3.897 4.170 0.006 0.000 0.245 169 I C 2.376 178.162 176.117 -0.551 0.000 1.100 169 I CA 0.923 61.955 61.300 -0.446 0.000 1.374 169 I CB -0.202 37.481 38.000 -0.528 0.000 1.057 169 I HN -0.009 nan 8.210 nan 0.000 0.413 170 A N 0.296 122.948 122.820 -0.281 0.000 1.883 170 A HA -0.195 4.128 4.320 0.006 0.000 0.217 170 A C 2.428 180.025 177.584 0.021 0.000 1.186 170 A CA 2.054 54.041 52.037 -0.083 0.000 0.624 170 A CB -1.057 17.934 19.000 -0.016 0.000 0.822 170 A HN 0.240 nan 8.150 nan 0.000 0.444 171 V N -0.092 119.813 119.914 -0.015 0.000 2.237 171 V HA -0.322 3.801 4.120 0.006 0.000 0.245 171 V C 2.579 178.717 176.094 0.072 0.000 1.046 171 V CA 2.221 64.528 62.300 0.012 0.000 1.007 171 V CB -0.645 31.169 31.823 -0.016 0.000 0.638 171 V HN 0.699 nan 8.190 nan 0.000 0.445 172 M N -1.220 118.414 119.600 0.056 0.000 2.337 172 M HA -0.217 4.266 4.480 0.006 0.000 0.261 172 M C 2.003 178.510 176.300 0.345 0.000 1.067 172 M CA 2.080 57.465 55.300 0.142 0.000 1.074 172 M CB -0.334 32.316 32.600 0.082 0.000 1.395 172 M HN 0.320 nan 8.290 nan 0.000 0.431 173 F N 0.256 120.254 119.950 0.079 0.000 2.074 173 F HA 0.033 4.563 4.527 0.005 0.000 0.290 173 F C 2.777 178.653 175.800 0.126 0.000 1.118 173 F CA 0.995 59.052 58.000 0.095 0.000 1.199 173 F CB -1.659 37.377 39.000 0.059 0.000 1.012 173 F HN 0.191 nan 8.300 nan 0.000 0.472 174 A N 0.134 123.160 122.820 0.343 0.000 1.915 174 A HA -0.293 4.030 4.320 0.006 0.000 0.220 174 A C 2.142 179.896 177.584 0.284 0.000 1.198 174 A CA 2.305 54.533 52.037 0.318 0.000 0.647 174 A CB -1.125 18.058 19.000 0.305 0.000 0.825 174 A HN 0.493 nan 8.150 nan 0.000 0.456 175 E N -0.600 119.729 120.200 0.215 0.000 2.058 175 E HA -0.179 4.175 4.350 0.006 0.000 0.194 175 E C 1.228 177.939 176.600 0.184 0.000 0.997 175 E CA 1.357 57.864 56.400 0.178 0.000 0.801 175 E CB -0.076 29.706 29.700 0.137 0.000 0.746 175 E HN 0.633 nan 8.360 nan 0.000 0.450 176 E N -0.968 119.359 120.200 0.211 0.000 2.465 176 E HA 0.129 4.482 4.350 0.006 0.000 0.195 176 E C 0.675 177.379 176.600 0.174 0.000 1.028 176 E CA 0.470 56.989 56.400 0.199 0.000 0.899 176 E CB 1.228 31.061 29.700 0.223 0.000 1.032 176 E HN 0.356 nan 8.360 nan 0.000 0.468 177 G N 1.232 110.125 108.800 0.155 0.000 2.132 177 G HA2 -0.276 3.687 3.960 0.006 0.000 0.228 177 G HA3 -0.276 3.687 3.960 0.006 0.000 0.228 177 G C 0.432 175.392 174.900 0.101 0.000 1.000 177 G CA 0.218 45.386 45.100 0.113 0.000 0.693 177 G HN 0.177 nan 8.290 nan 0.000 0.515 178 V N 0.267 120.230 119.914 0.082 0.000 2.740 178 V HA 0.234 4.358 4.120 0.006 0.000 0.303 178 V C 1.289 177.382 176.094 -0.002 0.000 1.054 178 V CA 1.015 63.311 62.300 -0.007 0.000 1.106 178 V CB 1.218 32.771 31.823 -0.451 0.000 0.957 178 V HN 0.480 nan 8.190 nan 0.000 0.486 179 N N 1.710 120.426 118.700 0.027 0.000 2.294 179 N HA 0.314 5.058 4.740 0.006 0.000 0.186 179 N C 0.403 176.028 175.510 0.191 0.000 1.107 179 N CA 0.565 53.680 53.050 0.107 0.000 0.884 179 N CB 0.674 39.206 38.487 0.075 0.000 1.030 179 N HN 0.777 nan 8.380 nan 0.000 0.482 180 G N -0.919 107.915 108.800 0.057 0.000 2.672 180 G HA2 0.830 4.793 3.960 0.006 0.000 0.292 180 G HA3 0.830 4.793 3.960 0.006 0.000 0.292 180 G C -1.825 172.710 174.900 -0.609 0.000 1.375 180 G CA -0.517 44.513 45.100 -0.116 0.000 0.890 180 G HN 0.233 nan 8.290 nan 0.000 0.476 181 A N 0.077 122.533 122.820 -0.608 0.000 2.577 181 A HA 0.636 4.960 4.320 0.006 0.000 0.297 181 A C -1.421 176.031 177.584 -0.220 0.000 1.060 181 A CA -0.809 50.936 52.037 -0.486 0.000 0.697 181 A CB 0.845 19.814 19.000 -0.051 0.000 1.281 181 A HN 0.815 nan 8.150 nan 0.000 0.402 182 H N 1.510 120.400 119.070 -0.301 0.000 2.803 182 H HA 0.540 5.100 4.556 0.006 0.000 0.330 182 H C -0.051 175.245 175.328 -0.054 0.000 1.057 182 H CA 0.934 56.906 56.048 -0.126 0.000 1.458 182 H CB 0.800 30.479 29.762 -0.139 0.000 1.470 182 H HN 0.456 nan 8.280 nan 0.000 0.560 183 Q N 2.784 122.619 119.800 0.059 0.000 2.309 183 Q HA 0.209 4.552 4.340 0.006 0.000 0.254 183 Q C -1.738 174.285 176.000 0.038 0.000 0.938 183 Q CA -0.596 55.237 55.803 0.049 0.000 0.789 183 Q CB 1.774 30.533 28.738 0.034 0.000 1.313 183 Q HN 0.734 nan 8.270 nan 0.000 0.438 184 D N 5.150 125.573 120.400 0.039 0.000 2.616 184 D HA 0.315 4.958 4.640 0.006 0.000 0.238 184 D C -1.906 174.357 176.300 -0.060 0.000 1.354 184 D CA -1.585 52.421 54.000 0.009 0.000 0.970 184 D CB 2.132 42.975 40.800 0.073 0.000 1.369 184 D HN 0.130 nan 8.370 nan 0.000 0.585 185 P HA -0.205 nan 4.420 nan 0.000 0.215 185 P C 1.253 178.270 177.300 -0.471 0.000 1.157 185 P CA 1.321 64.057 63.100 -0.607 0.000 0.874 185 P CB 0.533 31.422 31.700 -1.353 0.000 0.790 186 Q N -1.420 118.189 119.800 -0.318 0.000 2.112 186 Q HA -0.236 4.108 4.340 0.006 0.000 0.206 186 Q C 2.353 178.332 176.000 -0.035 0.000 0.987 186 Q CA 1.570 57.312 55.803 -0.102 0.000 0.858 186 Q CB -0.872 27.838 28.738 -0.045 0.000 0.905 186 Q HN 0.286 nan 8.270 nan 0.000 0.420 187 Y N 2.135 122.425 120.300 -0.017 0.000 2.114 187 Y HA -0.324 4.230 4.550 0.006 0.000 0.282 187 Y C 1.777 177.717 175.900 0.067 0.000 1.165 187 Y CA 1.894 60.075 58.100 0.134 0.000 1.148 187 Y CB -0.275 38.235 38.460 0.083 0.000 0.972 187 Y HN 0.128 nan 8.280 nan 0.000 0.504 188 N N 0.017 118.668 118.700 -0.082 0.000 2.120 188 N HA -0.169 4.575 4.740 0.006 0.000 0.188 188 N C 1.932 177.304 175.510 -0.231 0.000 1.024 188 N CA 1.759 54.698 53.050 -0.186 0.000 0.852 188 N CB -0.695 37.732 38.487 -0.100 0.000 1.003 188 N HN 0.354 nan 8.380 nan 0.000 0.424 189 V N 1.689 121.488 119.914 -0.191 0.000 2.231 189 V HA -0.142 3.982 4.120 0.006 0.000 0.240 189 V C 2.465 178.410 176.094 -0.247 0.000 1.039 189 V CA 1.222 63.432 62.300 -0.150 0.000 0.998 189 V CB -0.765 31.042 31.823 -0.027 0.000 0.639 189 V HN 0.162 nan 8.190 nan 0.000 0.451 190 L N -1.240 119.759 121.223 -0.374 0.000 2.042 190 L HA -0.223 4.120 4.340 0.006 0.000 0.210 190 L C 2.374 178.810 176.870 -0.723 0.000 1.076 190 L CA 1.981 56.447 54.840 -0.624 0.000 0.749 190 L CB -0.539 40.949 42.059 -0.951 0.000 0.893 190 L HN 0.413 nan 8.230 nan 0.000 0.432 191 Y N -2.395 117.726 120.300 -0.298 0.000 2.462 191 Y HA 0.176 4.730 4.550 0.006 0.000 0.253 191 Y C 2.183 177.912 175.900 -0.285 0.000 1.095 191 Y CA -0.178 57.738 58.100 -0.306 0.000 1.283 191 Y CB 0.269 38.490 38.460 -0.399 0.000 1.138 191 Y HN -0.098 nan 8.280 nan 0.000 0.522 192 R N 0.190 120.556 120.500 -0.224 0.000 2.476 192 R HA 0.120 4.464 4.340 0.006 0.000 0.276 192 R C 0.022 176.293 176.300 -0.048 0.000 0.941 192 R CA -0.009 56.014 56.100 -0.128 0.000 1.088 192 R CB -0.353 29.789 30.300 -0.264 0.000 1.216 192 R HN 0.206 nan 8.270 nan 0.000 0.533 193 N N 1.343 119.985 118.700 -0.095 0.000 2.714 193 N HA -0.211 4.533 4.740 0.006 0.000 0.252 193 N C -0.958 174.532 175.510 -0.034 0.000 1.014 193 N CA 0.372 53.385 53.050 -0.061 0.000 0.735 193 N CB -1.374 37.097 38.487 -0.027 0.000 0.924 193 N HN 0.288 nan 8.380 nan 0.000 0.540 194 I N 0.849 121.376 120.570 -0.072 0.000 2.342 194 I HA 0.077 4.250 4.170 0.006 0.000 0.291 194 I C 1.154 177.239 176.117 -0.054 0.000 1.010 194 I CA -0.657 60.609 61.300 -0.056 0.000 1.308 194 I CB 0.760 38.704 38.000 -0.094 0.000 1.400 194 I HN 0.286 nan 8.210 nan 0.000 0.488 195 N N 7.152 125.826 118.700 -0.043 0.000 2.219 195 N HA -0.116 4.628 4.740 0.006 0.000 0.263 195 N C 1.003 176.494 175.510 -0.033 0.000 1.269 195 N CA 0.376 53.392 53.050 -0.057 0.000 0.831 195 N CB 0.703 39.151 38.487 -0.066 0.000 1.059 195 N HN 0.691 nan 8.380 nan 0.000 0.475 196 M N 3.135 122.705 119.600 -0.050 0.000 2.288 196 M HA -0.021 4.463 4.480 0.006 0.000 0.266 196 M C 1.471 177.879 176.300 0.179 0.000 1.072 196 M CA 1.134 56.502 55.300 0.113 0.000 1.132 196 M CB -0.115 32.554 32.600 0.115 0.000 1.386 196 M HN 0.409 nan 8.290 nan 0.000 0.432 197 I N 1.020 121.522 120.570 -0.114 0.000 2.353 197 I HA -0.166 4.007 4.170 0.006 0.000 0.248 197 I C 2.830 179.012 176.117 0.110 0.000 1.119 197 I CA 1.212 62.506 61.300 -0.009 0.000 1.417 197 I CB -0.380 37.536 38.000 -0.141 0.000 1.078 197 I HN 0.332 nan 8.210 nan 0.000 0.421 198 R N 0.418 120.942 120.500 0.039 0.000 2.090 198 R HA -0.103 4.241 4.340 0.006 0.000 0.228 198 R C 2.323 178.659 176.300 0.060 0.000 1.110 198 R CA 1.881 58.003 56.100 0.036 0.000 0.973 198 R CB -0.635 29.659 30.300 -0.009 0.000 0.869 198 R HN 0.199 nan 8.270 nan 0.000 0.440 199 S N -0.900 114.835 115.700 0.058 0.000 2.368 199 S HA -0.048 4.425 4.470 0.006 0.000 0.224 199 S C 1.490 176.025 174.600 -0.108 0.000 1.029 199 S CA 1.034 59.202 58.200 -0.052 0.000 0.988 199 S CB -0.292 62.821 63.200 -0.145 0.000 0.838 199 S HN 0.425 nan 8.310 nan 0.000 0.462 200 F N 1.021 120.985 119.950 0.022 0.000 2.456 200 F HA 0.282 4.812 4.527 0.006 0.000 0.298 200 F C 1.889 177.727 175.800 0.063 0.000 1.104 200 F CA 0.347 58.332 58.000 -0.025 0.000 1.435 200 F CB -0.234 38.738 39.000 -0.046 0.000 1.078 200 F HN 0.207 nan 8.300 nan 0.000 0.546 201 I N -0.107 120.604 120.570 0.235 0.000 2.202 201 I HA -0.263 3.910 4.170 0.006 0.000 0.242 201 I C 1.921 178.098 176.117 0.101 0.000 1.091 201 I CA 1.229 62.632 61.300 0.172 0.000 1.368 201 I CB -0.379 37.710 38.000 0.149 0.000 1.058 201 I HN -0.031 nan 8.210 nan 0.000 0.410 202 D N 1.184 121.623 120.400 0.065 0.000 2.133 202 D HA -0.205 4.439 4.640 0.006 0.000 0.195 202 D C 2.228 178.536 176.300 0.014 0.000 0.997 202 D CA 1.637 55.656 54.000 0.032 0.000 0.840 202 D CB -0.323 40.483 40.800 0.010 0.000 0.947 202 D HN 0.371 nan 8.370 nan 0.000 0.452 203 A N 0.343 123.171 122.820 0.013 0.000 1.902 203 A HA -0.209 4.115 4.320 0.006 0.000 0.217 203 A C 2.537 180.148 177.584 0.045 0.000 1.181 203 A CA 1.429 53.492 52.037 0.043 0.000 0.623 203 A CB -1.055 17.962 19.000 0.029 0.000 0.818 203 A HN 0.368 nan 8.150 nan 0.000 0.443 204 C N -1.049 118.244 119.300 -0.011 0.000 2.385 204 C HA -0.147 4.316 4.460 0.006 0.000 0.275 204 C C 2.732 177.513 174.990 -0.349 0.000 1.207 204 C CA 1.660 60.387 59.018 -0.485 0.000 1.760 204 C CB -1.116 26.187 27.740 -0.728 0.000 2.051 204 C HN 0.795 nan 8.230 nan 0.000 0.467 205 E N 0.781 120.913 120.200 -0.114 0.000 2.072 205 E HA -0.110 4.244 4.350 0.006 0.000 0.190 205 E C 2.231 178.819 176.600 -0.019 0.000 0.982 205 E CA 1.428 57.806 56.400 -0.038 0.000 0.803 205 E CB -0.129 29.569 29.700 -0.003 0.000 0.755 205 E HN 0.533 nan 8.360 nan 0.000 0.453 206 S N 0.438 116.129 115.700 -0.016 0.000 2.359 206 S HA -0.151 4.323 4.470 0.006 0.000 0.224 206 S C 1.742 176.349 174.600 0.011 0.000 1.035 206 S CA 1.374 59.575 58.200 0.001 0.000 1.018 206 S CB -0.212 62.989 63.200 0.001 0.000 0.876 206 S HN 0.254 nan 8.310 nan 0.000 0.448 207 K N 0.468 120.860 120.400 -0.014 0.000 2.148 207 K HA -0.024 4.299 4.320 0.006 0.000 0.204 207 K C 2.197 178.801 176.600 0.006 0.000 1.050 207 K CA 1.306 57.585 56.287 -0.014 0.000 0.942 207 K CB -0.396 32.063 32.500 -0.068 0.000 0.724 207 K HN 0.299 nan 8.250 nan 0.000 0.446 208 T N 1.728 116.282 114.554 0.001 0.000 2.777 208 T HA -0.073 4.281 4.350 0.006 0.000 0.266 208 T C 1.917 176.688 174.700 0.119 0.000 1.040 208 T CA 1.015 63.159 62.100 0.074 0.000 1.141 208 T CB -0.123 68.810 68.868 0.107 0.000 0.868 208 T HN 0.093 nan 8.240 nan 0.000 0.444 209 I N 0.783 121.403 120.570 0.085 0.000 2.394 209 I HA -0.115 4.059 4.170 0.006 0.000 0.251 209 I C 2.361 178.598 176.117 0.201 0.000 1.136 209 I CA 1.232 62.594 61.300 0.103 0.000 1.425 209 I CB -0.305 37.722 38.000 0.045 0.000 1.079 209 I HN 0.241 nan 8.210 nan 0.000 0.425 210 M N -0.406 119.286 119.600 0.152 0.000 2.288 210 M HA -0.062 4.421 4.480 0.006 0.000 0.266 210 M C 2.490 178.884 176.300 0.157 0.000 1.072 210 M CA 1.348 56.740 55.300 0.154 0.000 1.132 210 M CB -0.394 32.263 32.600 0.095 0.000 1.386 210 M HN 0.286 nan 8.290 nan 0.000 0.432 211 A N 0.013 122.922 122.820 0.149 0.000 1.883 211 A HA -0.229 4.094 4.320 0.006 0.000 0.217 211 A C 1.889 179.584 177.584 0.185 0.000 1.186 211 A CA 1.528 53.647 52.037 0.136 0.000 0.624 211 A CB -1.227 17.846 19.000 0.121 0.000 0.822 211 A HN 0.761 nan 8.150 nan 0.000 0.444 212 W N 0.568 121.895 121.300 0.045 0.000 2.355 212 W HA -0.089 4.574 4.660 0.005 0.000 0.309 212 W C 2.222 178.769 176.519 0.047 0.000 1.206 212 W CA 2.139 59.512 57.345 0.047 0.000 1.284 212 W CB -0.119 29.374 29.460 0.054 0.000 1.145 212 W HN 0.309 nan 8.180 nan 0.000 0.502 213 A N 0.297 123.365 122.820 0.413 0.000 2.248 213 A HA -0.097 4.226 4.320 0.006 0.000 0.210 213 A C 0.925 178.539 177.584 0.050 0.000 1.174 213 A CA 1.523 53.692 52.037 0.219 0.000 0.750 213 A CB -1.176 18.028 19.000 0.340 0.000 0.780 213 A HN 0.525 nan 8.150 nan 0.000 0.478 214 D N -2.227 118.189 120.400 0.028 0.000 2.860 214 D HA -0.194 4.450 4.640 0.006 0.000 0.229 214 D C 0.179 176.517 176.300 0.062 0.000 1.169 214 D CA 1.100 55.117 54.000 0.028 0.000 0.737 214 D CB -1.457 39.340 40.800 -0.006 0.000 1.080 214 D HN 0.611 nan 8.370 nan 0.000 0.424 215 M N 0.036 119.679 119.600 0.072 0.000 2.226 215 M HA 0.376 4.859 4.480 0.006 0.000 0.324 215 M C 1.028 177.313 176.300 -0.024 0.000 1.112 215 M CA 0.185 55.520 55.300 0.059 0.000 1.176 215 M CB 0.859 33.494 32.600 0.059 0.000 1.430 215 M HN 0.170 nan 8.290 nan 0.000 0.462 216 A N 2.081 124.818 122.820 -0.138 0.000 2.340 216 A HA 0.357 4.681 4.320 0.006 0.000 0.268 216 A C -0.548 176.885 177.584 -0.251 0.000 1.100 216 A CA -0.423 51.380 52.037 -0.391 0.000 0.803 216 A CB 0.741 19.058 19.000 -1.138 0.000 1.043 216 A HN 0.775 nan 8.150 nan 0.000 0.488 217 Q N 1.430 121.107 119.800 -0.204 0.000 2.365 217 Q HA 0.651 4.994 4.340 0.006 0.000 0.269 217 Q C -1.753 174.144 176.000 -0.172 0.000 1.061 217 Q CA -0.449 55.267 55.803 -0.143 0.000 0.816 217 Q CB 1.418 30.118 28.738 -0.064 0.000 1.325 217 Q HN 0.716 nan 8.270 nan 0.000 0.446 218 I N 2.599 123.043 120.570 -0.211 0.000 2.474 218 I HA 0.234 4.407 4.170 0.006 0.000 0.294 218 I C -0.129 175.867 176.117 -0.203 0.000 1.005 218 I CA -0.880 60.245 61.300 -0.293 0.000 1.113 218 I CB 1.866 39.505 38.000 -0.601 0.000 1.289 218 I HN 0.640 nan 8.210 nan 0.000 0.436 224 A N 0.565 123.462 122.820 0.128 0.000 2.147 224 A HA 0.186 4.510 4.320 0.006 0.000 0.211 224 A C 1.929 179.523 177.584 0.017 0.000 1.160 224 A CA 1.299 53.355 52.037 0.032 0.000 0.781 224 A CB -0.574 18.353 19.000 -0.122 0.000 0.842 224 A HN 0.685 nan 8.150 nan 0.000 0.475 225 H N -0.223 118.898 119.070 0.085 0.000 2.557 225 H HA -0.023 4.536 4.556 0.006 0.000 0.287 225 H C 0.980 176.304 175.328 -0.008 0.000 1.043 225 H CA 1.149 57.230 56.048 0.054 0.000 1.226 225 H CB -0.434 29.366 29.762 0.063 0.000 1.361 225 H HN 0.392 nan 8.280 nan 0.000 0.592 226 N N 0.857 119.274 118.700 -0.472 0.000 2.416 226 N HA 0.042 4.785 4.740 0.006 0.000 0.177 226 N C 1.972 177.296 175.510 -0.310 0.000 1.036 226 N CA 0.890 53.651 53.050 -0.481 0.000 0.901 226 N CB 0.112 38.184 38.487 -0.692 0.000 0.976 226 N HN 0.519 nan 8.380 nan 0.000 0.444 227 A N 1.542 124.297 122.820 -0.108 0.000 1.898 227 A HA -0.121 4.202 4.320 0.006 0.000 0.216 227 A C 1.925 179.500 177.584 -0.015 0.000 1.181 227 A CA 1.185 53.237 52.037 0.025 0.000 0.620 227 A CB -0.375 18.663 19.000 0.063 0.000 0.819 227 A HN 0.239 nan 8.150 nan 0.000 0.442 228 N N 1.280 119.959 118.700 -0.035 0.000 2.069 228 N HA -0.137 4.606 4.740 0.006 0.000 0.191 228 N C 1.802 177.259 175.510 -0.087 0.000 1.031 228 N CA 1.762 54.782 53.050 -0.049 0.000 0.852 228 N CB -0.787 37.687 38.487 -0.022 0.000 1.018 228 N HN 0.462 nan 8.380 nan 0.000 0.423 229 A N 0.402 123.164 122.820 -0.097 0.000 1.896 229 A HA -0.234 4.089 4.320 0.006 0.000 0.220 229 A C 2.221 179.756 177.584 -0.082 0.000 1.206 229 A CA 2.875 54.846 52.037 -0.110 0.000 0.647 229 A CB -1.385 17.531 19.000 -0.140 0.000 0.828 229 A HN 0.552 nan 8.150 nan 0.000 0.455 230 T N -2.617 111.910 114.554 -0.046 0.000 3.081 230 T HA 0.566 4.920 4.350 0.006 0.000 0.250 230 T C 0.785 175.497 174.700 0.019 0.000 1.100 230 T CA 0.393 62.505 62.100 0.020 0.000 1.038 230 T CB -0.363 68.588 68.868 0.138 0.000 0.962 230 T HN 0.711 nan 8.240 nan 0.000 0.516 231 A N 1.751 124.564 122.820 -0.012 0.000 2.386 231 A HA 0.491 4.814 4.320 0.006 0.000 0.248 231 A C 1.540 179.088 177.584 -0.061 0.000 1.082 231 A CA -0.627 51.389 52.037 -0.036 0.000 0.789 231 A CB 0.481 19.441 19.000 -0.067 0.000 1.025 231 A HN 0.113 nan 8.150 nan 0.000 0.490 232 R N 0.418 120.868 120.500 -0.084 0.000 2.057 232 R HA -0.009 4.334 4.340 0.006 0.000 0.229 232 R C -0.285 175.927 176.300 -0.148 0.000 1.136 232 R CA 1.334 57.384 56.100 -0.085 0.000 0.952 232 R CB -0.380 29.870 30.300 -0.083 0.000 0.848 232 R HN 0.863 nan 8.270 nan 0.000 0.430 233 E N -0.744 119.229 120.200 -0.379 0.000 2.220 233 E HA 0.363 4.717 4.350 0.006 0.000 0.256 233 E C -0.179 175.968 176.600 -0.755 0.000 0.881 233 E CA -0.109 55.771 56.400 -0.867 0.000 0.766 233 E CB 1.899 30.536 29.700 -1.772 0.000 1.187 233 E HN 0.086 nan 8.360 nan 0.000 0.419 234 A N 3.171 125.873 122.820 -0.197 0.000 2.070 234 A HA -0.148 4.175 4.320 0.006 0.000 0.220 234 A C 1.503 179.088 177.584 0.002 0.000 1.159 234 A CA 1.078 53.105 52.037 -0.017 0.000 0.656 234 A CB -0.788 18.306 19.000 0.157 0.000 0.800 234 A HN 0.927 nan 8.150 nan 0.000 0.453 235 W N -0.554 120.748 121.300 0.002 0.000 2.525 235 W HA 0.097 4.761 4.660 0.006 0.000 0.259 235 W C 1.166 177.563 176.519 -0.203 0.000 1.253 235 W CA 0.999 58.288 57.345 -0.093 0.000 1.262 235 W CB -0.045 29.357 29.460 -0.098 0.000 1.122 235 W HN 0.103 nan 8.180 nan 0.000 0.607 236 K N 0.420 120.518 120.400 -0.504 0.000 2.374 236 K HA 0.132 4.456 4.320 0.006 0.000 0.196 236 K C 1.043 177.639 176.600 -0.007 0.000 1.023 236 K CA 0.011 56.063 56.287 -0.392 0.000 1.103 236 K CB 0.734 32.973 32.500 -0.435 0.000 0.848 236 K HN 0.119 nan 8.250 nan 0.000 0.528 237 V N 0.923 120.811 119.914 -0.044 0.000 3.319 237 V HA 0.081 4.205 4.120 0.006 0.000 0.317 237 V C 1.085 177.194 176.094 0.025 0.000 1.411 237 V CA 0.223 62.542 62.300 0.032 0.000 1.112 237 V CB -0.102 31.714 31.823 -0.013 0.000 1.031 237 V HN 0.283 nan 8.190 nan 0.000 0.448 238 M N 0.908 120.513 119.600 0.008 0.000 2.099 238 M HA -0.029 4.454 4.480 0.006 0.000 0.262 238 M C -0.330 176.038 176.300 0.113 0.000 1.067 238 M CA 2.337 57.581 55.300 -0.094 0.000 1.124 238 M CB -1.280 31.215 32.600 -0.175 0.000 1.353 238 M HN 0.248 nan 8.290 nan 0.000 0.410 239 P HA -0.170 nan 4.420 nan 0.000 0.218 239 P C 1.062 178.391 177.300 0.049 0.000 1.149 239 P CA 1.215 64.437 63.100 0.204 0.000 0.817 239 P CB -0.141 31.727 31.700 0.280 0.000 0.785 240 E N -0.083 120.149 120.200 0.053 0.000 2.153 240 E HA -0.147 4.207 4.350 0.006 0.000 0.194 240 E C 1.816 178.335 176.600 -0.135 0.000 0.988 240 E CA 0.753 57.045 56.400 -0.179 0.000 0.811 240 E CB -0.628 29.145 29.700 0.121 0.000 0.746 240 E HN 0.151 nan 8.360 nan 0.000 0.466 241 L N 0.062 121.250 121.223 -0.059 0.000 2.056 241 L HA -0.149 4.194 4.340 0.006 0.000 0.207 241 L C 2.692 179.457 176.870 -0.175 0.000 1.078 241 L CA 1.102 55.857 54.840 -0.141 0.000 0.749 241 L CB -0.276 41.743 42.059 -0.066 0.000 0.901 241 L HN 0.305 nan 8.230 nan 0.000 0.433 242 M N -1.145 118.497 119.600 0.070 0.000 2.229 242 M HA -0.168 4.315 4.480 0.006 0.000 0.264 242 M C 2.215 178.615 176.300 0.166 0.000 1.063 242 M CA 1.205 56.639 55.300 0.223 0.000 1.114 242 M CB -0.235 32.550 32.600 0.308 0.000 1.387 242 M HN 0.098 nan 8.290 nan 0.000 0.420 243 V N 0.180 120.078 119.914 -0.027 0.000 2.307 243 V HA -0.259 3.865 4.120 0.006 0.000 0.245 243 V C 2.197 178.290 176.094 -0.002 0.000 1.045 243 V CA 1.715 63.978 62.300 -0.062 0.000 1.024 243 V CB -0.825 30.797 31.823 -0.336 0.000 0.651 243 V HN 0.503 nan 8.190 nan 0.000 0.449 244 Q N -1.019 118.744 119.800 -0.062 0.000 2.124 244 Q HA -0.218 4.126 4.340 0.006 0.000 0.202 244 Q C 2.305 178.305 176.000 -0.000 0.000 0.977 244 Q CA 1.574 57.344 55.803 -0.055 0.000 0.850 244 Q CB -0.237 28.448 28.738 -0.088 0.000 0.901 244 Q HN 0.705 nan 8.270 nan 0.000 0.429 245 H N 0.137 119.232 119.070 0.041 0.000 2.293 245 H HA -0.057 4.502 4.556 0.006 0.000 0.300 245 H C 2.084 177.527 175.328 0.191 0.000 1.082 245 H CA 1.510 57.555 56.048 -0.005 0.000 1.308 245 H CB -0.500 29.091 29.762 -0.284 0.000 1.375 245 H HN 0.320 nan 8.280 nan 0.000 0.495 246 A N 1.007 124.124 122.820 0.495 0.000 1.933 246 A HA -0.105 4.219 4.320 0.006 0.000 0.218 246 A C 2.743 180.403 177.584 0.126 0.000 1.175 246 A CA 1.168 53.376 52.037 0.285 0.000 0.628 246 A CB -0.872 18.200 19.000 0.119 0.000 0.814 246 A HN 0.300 nan 8.150 nan 0.000 0.444 247 L N -0.855 120.416 121.223 0.079 0.000 2.093 247 L HA -0.176 4.167 4.340 0.006 0.000 0.208 247 L C 2.498 179.382 176.870 0.023 0.000 1.085 247 L CA 1.728 56.564 54.840 -0.007 0.000 0.755 247 L CB -0.453 41.535 42.059 -0.119 0.000 0.904 247 L HN 0.519 nan 8.230 nan 0.000 0.435 248 N N -0.753 117.975 118.700 0.046 0.000 2.250 248 N HA -0.118 4.626 4.740 0.006 0.000 0.181 248 N C 1.887 177.483 175.510 0.143 0.000 1.017 248 N CA 1.140 54.243 53.050 0.088 0.000 0.866 248 N CB 0.178 38.697 38.487 0.053 0.000 0.985 248 N HN 0.059 nan 8.380 nan 0.000 0.429 249 S N 0.494 116.244 115.700 0.084 0.000 2.354 249 S HA -0.149 4.324 4.470 0.006 0.000 0.219 249 S C 1.796 176.477 174.600 0.135 0.000 1.035 249 S CA 1.170 59.378 58.200 0.014 0.000 1.037 249 S CB -0.529 62.545 63.200 -0.209 0.000 0.956 249 S HN 0.339 nan 8.310 nan 0.000 0.428 250 I N 1.255 121.905 120.570 0.133 0.000 2.208 250 I HA -0.130 4.044 4.170 0.006 0.000 0.245 250 I C 1.886 178.087 176.117 0.141 0.000 1.097 250 I CA 0.877 62.262 61.300 0.143 0.000 1.363 250 I CB -0.803 37.255 38.000 0.096 0.000 1.051 250 I HN 0.275 nan 8.210 nan 0.000 0.413 251 F N 0.682 120.642 119.950 0.016 0.000 2.154 251 F HA -0.289 4.241 4.527 0.006 0.000 0.301 251 F C 2.505 178.309 175.800 0.006 0.000 1.087 251 F CA 2.109 60.110 58.000 0.002 0.000 1.274 251 F CB -0.420 38.575 39.000 -0.008 0.000 1.009 251 F HN 0.091 nan 8.300 nan 0.000 0.485 252 S N -0.093 115.622 115.700 0.024 0.000 2.425 252 S HA -0.041 4.432 4.470 0.006 0.000 0.225 252 S C 1.771 176.352 174.600 -0.031 0.000 1.024 252 S CA 0.602 58.776 58.200 -0.045 0.000 0.951 252 S CB -0.385 62.859 63.200 0.073 0.000 0.796 252 S HN 0.266 nan 8.310 nan 0.000 0.498 253 L N 2.460 123.712 121.223 0.048 0.000 1.994 253 L HA 0.004 4.347 4.340 0.006 0.000 0.208 253 L C 2.049 178.918 176.870 -0.001 0.000 1.071 253 L CA 1.755 56.629 54.840 0.055 0.000 0.745 253 L CB -0.498 41.624 42.059 0.106 0.000 0.892 253 L HN 0.066 nan 8.230 nan 0.000 0.431 254 K N -1.017 119.365 120.400 -0.031 0.000 2.360 254 K HA -0.019 4.305 4.320 0.006 0.000 0.201 254 K C 1.850 178.418 176.600 -0.053 0.000 1.046 254 K CA 0.809 57.074 56.287 -0.037 0.000 0.945 254 K CB -0.232 32.246 32.500 -0.037 0.000 0.750 254 K HN 0.254 nan 8.250 nan 0.000 0.464 255 V N -0.328 119.499 119.914 -0.144 0.000 3.506 255 V HA 0.048 4.172 4.120 0.006 0.000 0.263 255 V C 1.390 177.491 176.094 0.012 0.000 1.203 255 V CA 1.180 63.414 62.300 -0.110 0.000 1.133 255 V CB 0.387 31.970 31.823 -0.401 0.000 0.802 255 V HN 0.580 nan 8.190 nan 0.000 0.459 256 G N -0.711 108.092 108.800 0.006 0.000 2.229 256 G HA2 -0.201 3.763 3.960 0.006 0.000 0.189 256 G HA3 -0.201 3.763 3.960 0.006 0.000 0.189 256 G C 0.220 175.141 174.900 0.036 0.000 1.000 256 G CA -0.073 45.050 45.100 0.038 0.000 0.663 256 G HN 0.310 nan 8.290 nan 0.000 0.493 257 M N 1.453 121.067 119.600 0.024 0.000 2.252 257 M HA 0.316 4.799 4.480 0.006 0.000 0.333 257 M C 0.657 176.978 176.300 0.035 0.000 1.111 257 M CA 0.563 55.884 55.300 0.035 0.000 1.140 257 M CB 0.461 33.081 32.600 0.033 0.000 1.538 257 M HN 0.306 nan 8.290 nan 0.000 0.448 258 K N 2.504 122.924 120.400 0.033 0.000 2.156 258 K HA 0.295 4.618 4.320 0.006 0.000 0.271 258 K C 0.201 176.809 176.600 0.013 0.000 0.995 258 K CA -0.821 55.476 56.287 0.017 0.000 0.890 258 K CB 1.331 33.841 32.500 0.015 0.000 1.073 258 K HN 0.473 nan 8.250 nan 0.000 0.454 259 K N 0.901 121.274 120.400 -0.045 0.000 2.163 259 K HA -0.245 4.079 4.320 0.006 0.000 0.210 259 K C 1.395 177.974 176.600 -0.035 0.000 1.048 259 K CA 2.323 58.537 56.287 -0.122 0.000 0.928 259 K CB -0.172 32.119 32.500 -0.348 0.000 0.716 259 K HN 0.802 nan 8.250 nan 0.000 0.459 260 S N -0.053 115.638 115.700 -0.016 0.000 2.607 260 S HA 0.043 4.516 4.470 0.006 0.000 0.224 260 S C 1.014 175.690 174.600 0.128 0.000 0.969 260 S CA 0.404 58.620 58.200 0.026 0.000 0.927 260 S CB 0.123 63.333 63.200 0.016 0.000 0.772 260 S HN 0.228 nan 8.310 nan 0.000 0.533 261 N N 0.651 119.401 118.700 0.083 0.000 2.184 261 N HA 0.397 5.140 4.740 0.006 0.000 0.206 261 N C -0.576 174.919 175.510 -0.025 0.000 1.151 261 N CA -0.007 53.056 53.050 0.023 0.000 0.878 261 N CB 0.354 38.846 38.487 0.009 0.000 1.014 261 N HN 0.429 nan 8.380 nan 0.000 0.512 262 I N 0.755 121.362 120.570 0.060 0.000 2.336 262 I HA 0.254 4.427 4.170 0.006 0.000 0.292 262 I C -0.503 175.653 176.117 0.064 0.000 0.991 262 I CA -0.413 60.938 61.300 0.084 0.000 1.227 262 I CB 1.288 39.430 38.000 0.237 0.000 1.366 262 I HN -0.129 nan 8.210 nan 0.000 0.466 263 C N 6.960 126.228 119.300 -0.052 0.000 2.364 263 C HA 0.487 4.950 4.460 0.006 0.000 0.324 263 C C -0.121 174.756 174.990 -0.187 0.000 1.234 263 C CA -0.835 58.119 59.018 -0.107 0.000 1.417 263 C CB 0.842 28.493 27.740 -0.149 0.000 2.101 263 C HN 0.477 nan 8.230 nan 0.000 0.466 264 L N 2.857 123.913 121.223 -0.278 0.000 2.361 264 L HA 0.272 4.615 4.340 0.006 0.000 0.278 264 L C 0.886 177.564 176.870 -0.319 0.000 1.113 264 L CA 0.799 55.351 54.840 -0.480 0.000 0.849 264 L CB 0.818 42.366 42.059 -0.852 0.000 1.155 264 L HN 0.738 nan 8.230 nan 0.000 0.452 265 S N 2.172 117.765 115.700 -0.178 0.000 2.409 265 S HA 0.262 4.735 4.470 0.006 0.000 0.308 265 S C 0.029 174.665 174.600 0.060 0.000 1.080 265 S CA -0.461 57.701 58.200 -0.064 0.000 1.081 265 S CB -0.094 63.091 63.200 -0.024 0.000 1.009 265 S HN 0.641 nan 8.310 nan 0.000 0.502 266 T N 5.575 120.130 114.554 0.002 0.000 2.842 266 T HA 0.471 4.825 4.350 0.006 0.000 0.308 266 T C -0.470 174.309 174.700 0.132 0.000 1.041 266 T CA -0.539 61.632 62.100 0.118 0.000 0.964 266 T CB 0.234 69.119 68.868 0.027 0.000 0.972 266 T HN 0.353 nan 8.240 nan 0.000 0.460 267 V N 8.568 128.591 119.914 0.182 0.000 2.583 267 V HA 0.350 4.473 4.120 0.006 0.000 0.287 267 V C -1.990 174.227 176.094 0.204 0.000 1.051 267 V CA -1.931 60.461 62.300 0.152 0.000 1.010 267 V CB 1.010 32.914 31.823 0.135 0.000 0.988 267 V HN 0.751 nan 8.190 nan 0.000 0.478 268 P HA 0.176 nan 4.420 nan 0.000 0.266 268 P C -2.121 175.292 177.300 0.188 0.000 1.215 268 P CA -1.090 62.133 63.100 0.204 0.000 0.763 268 P CB 0.314 32.111 31.700 0.162 0.000 0.806 269 P HA -0.122 nan 4.420 nan 0.000 0.215 269 P C 0.488 177.985 177.300 0.330 0.000 1.157 269 P CA 1.661 64.876 63.100 0.192 0.000 0.868 269 P CB -0.090 31.697 31.700 0.144 0.000 0.788 270 T N -3.766 110.969 114.554 0.300 0.000 2.940 270 T HA 0.790 5.144 4.350 0.006 0.000 0.288 270 T C -0.675 174.159 174.700 0.224 0.000 1.045 270 T CA -1.013 61.276 62.100 0.314 0.000 1.018 270 T CB 2.099 71.028 68.868 0.101 0.000 1.151 270 T HN 0.054 nan 8.240 nan 0.000 0.529 271 A N 1.397 124.302 122.820 0.142 0.000 2.401 271 A HA 0.840 5.164 4.320 0.006 0.000 0.310 271 A C -2.981 174.578 177.584 -0.042 0.000 1.075 271 A CA -2.274 49.813 52.037 0.084 0.000 0.746 271 A CB 0.686 19.788 19.000 0.169 0.000 1.277 271 A HN 0.673 nan 8.150 nan 0.000 0.425 272 P HA 0.146 nan 4.420 nan 0.000 0.265 272 P C -1.942 175.309 177.300 -0.082 0.000 1.187 272 P CA -0.436 62.627 63.100 -0.062 0.000 0.766 272 P CB 0.112 31.790 31.700 -0.037 0.000 0.820 273 P HA 0.086 nan 4.420 nan 0.000 0.245 273 P C 0.125 177.335 177.300 -0.150 0.000 1.212 273 P CA 0.286 63.320 63.100 -0.110 0.000 0.774 273 P CB 0.027 31.664 31.700 -0.105 0.000 0.999 274 A N 1.812 124.513 122.820 -0.199 0.000 2.466 274 A HA 0.282 4.605 4.320 0.006 0.000 0.238 274 A C -1.830 175.656 177.584 -0.162 0.000 1.074 274 A CA -0.822 51.063 52.037 -0.252 0.000 0.774 274 A CB -0.649 18.148 19.000 -0.338 0.000 1.015 274 A HN 0.013 nan 8.150 nan 0.000 0.498 275 P HA 0.078 nan 4.420 nan 0.000 0.228 275 P C 1.024 178.317 177.300 -0.013 0.000 1.748 275 P CA 0.369 63.417 63.100 -0.088 0.000 0.909 275 P CB -0.413 31.209 31.700 -0.129 0.000 1.882 276 S N 0.516 116.208 115.700 -0.014 0.000 2.407 276 S HA -0.346 4.128 4.470 0.006 0.000 0.244 276 S C 1.893 176.545 174.600 0.087 0.000 1.077 276 S CA 1.519 59.741 58.200 0.037 0.000 1.159 276 S CB -1.290 61.938 63.200 0.047 0.000 1.045 276 S HN 0.081 nan 8.310 nan 0.000 0.438 277 M N 0.507 120.159 119.600 0.088 0.000 2.088 277 M HA -0.139 4.345 4.480 0.006 0.000 0.256 277 M C 2.185 178.559 176.300 0.124 0.000 1.071 277 M CA 1.976 57.335 55.300 0.098 0.000 1.097 277 M CB -1.649 31.003 32.600 0.087 0.000 1.315 277 M HN 0.528 nan 8.290 nan 0.000 0.406 278 Y N 0.552 120.860 120.300 0.014 0.000 2.274 278 Y HA -0.160 4.394 4.550 0.006 0.000 0.290 278 Y C 2.246 178.163 175.900 0.029 0.000 1.145 278 Y CA 1.350 59.460 58.100 0.015 0.000 1.203 278 Y CB -0.021 38.434 38.460 -0.007 0.000 0.984 278 Y HN 0.109 nan 8.280 nan 0.000 0.533 279 L N -0.756 120.594 121.223 0.211 0.000 2.179 279 L HA -0.122 4.221 4.340 0.006 0.000 0.208 279 L C 1.547 178.509 176.870 0.154 0.000 1.096 279 L CA 0.939 55.872 54.840 0.155 0.000 0.779 279 L CB -0.308 41.804 42.059 0.089 0.000 0.922 279 L HN 0.195 nan 8.230 nan 0.000 0.443 280 D N -0.370 120.120 120.400 0.150 0.000 2.269 280 D HA -0.089 4.554 4.640 0.006 0.000 0.220 280 D C 2.017 178.423 176.300 0.176 0.000 0.962 280 D CA 0.462 54.578 54.000 0.193 0.000 0.884 280 D CB -0.130 40.773 40.800 0.172 0.000 1.023 280 D HN 0.007 nan 8.370 nan 0.000 0.484 281 L N 1.561 122.844 121.223 0.099 0.000 2.010 281 L HA -0.162 4.182 4.340 0.006 0.000 0.219 281 L C -0.946 175.953 176.870 0.049 0.000 1.077 281 L CA 2.284 57.155 54.840 0.053 0.000 0.773 281 L CB -1.481 40.583 42.059 0.009 0.000 0.892 281 L HN -0.003 nan 8.230 nan 0.000 0.436 282 P HA -0.224 nan 4.420 nan 0.000 0.215 282 P C 1.369 178.743 177.300 0.124 0.000 1.153 282 P CA 1.501 64.636 63.100 0.058 0.000 0.853 282 P CB -0.301 31.430 31.700 0.052 0.000 0.788 283 Y N 1.109 121.453 120.300 0.072 0.000 2.097 283 Y HA -0.247 4.306 4.550 0.006 0.000 0.282 283 Y C 2.375 178.324 175.900 0.082 0.000 1.152 283 Y CA 1.788 59.946 58.100 0.097 0.000 1.136 283 Y CB -1.241 37.290 38.460 0.118 0.000 0.975 283 Y HN -0.111 nan 8.280 nan 0.000 0.498 284 A N -0.461 122.282 122.820 -0.128 0.000 1.908 284 A HA -0.191 4.133 4.320 0.006 0.000 0.218 284 A C 2.345 179.849 177.584 -0.134 0.000 1.181 284 A CA 2.320 54.244 52.037 -0.188 0.000 0.627 284 A CB -1.382 17.593 19.000 -0.041 0.000 0.818 284 A HN 0.377 nan 8.150 nan 0.000 0.445 285 V N -0.639 119.240 119.914 -0.059 0.000 2.667 285 V HA -0.133 3.990 4.120 0.006 0.000 0.252 285 V C 2.879 178.961 176.094 -0.019 0.000 1.065 285 V CA 1.657 63.939 62.300 -0.030 0.000 1.083 285 V CB -0.844 30.974 31.823 -0.008 0.000 0.692 285 V HN 0.628 nan 8.190 nan 0.000 0.468 286 A N -0.320 122.487 122.820 -0.022 0.000 1.898 286 A HA -0.056 4.267 4.320 0.006 0.000 0.214 286 A C 2.072 179.670 177.584 0.024 0.000 1.183 286 A CA 1.300 53.352 52.037 0.025 0.000 0.622 286 A CB -0.446 18.602 19.000 0.081 0.000 0.824 286 A HN 0.395 nan 8.150 nan 0.000 0.444 287 L N 0.362 121.523 121.223 -0.104 0.000 1.994 287 L HA -0.114 4.230 4.340 0.006 0.000 0.208 287 L C 2.334 179.237 176.870 0.056 0.000 1.071 287 L CA 1.945 56.736 54.840 -0.081 0.000 0.745 287 L CB -0.616 41.180 42.059 -0.439 0.000 0.892 287 L HN 0.355 nan 8.230 nan 0.000 0.431 288 R N -0.758 119.728 120.500 -0.023 0.000 2.280 288 R HA -0.064 4.280 4.340 0.006 0.000 0.207 288 R C 1.915 178.258 176.300 0.071 0.000 1.043 288 R CA 0.851 56.966 56.100 0.025 0.000 1.006 288 R CB -0.121 30.164 30.300 -0.026 0.000 0.885 288 R HN 0.543 nan 8.270 nan 0.000 0.467 289 E N 0.133 120.373 120.200 0.067 0.000 2.122 289 E HA -0.081 4.272 4.350 0.006 0.000 0.190 289 E C 1.668 178.318 176.600 0.082 0.000 0.977 289 E CA 0.592 57.027 56.400 0.060 0.000 0.820 289 E CB 0.113 29.836 29.700 0.040 0.000 0.770 289 E HN 0.036 nan 8.360 nan 0.000 0.462 290 M N -0.308 119.371 119.600 0.132 0.000 2.175 290 M HA -0.049 4.435 4.480 0.006 0.000 0.264 290 M C 0.458 176.756 176.300 -0.002 0.000 1.063 290 M CA 1.509 56.857 55.300 0.080 0.000 1.119 290 M CB 0.166 32.867 32.600 0.169 0.000 1.377 290 M HN -0.033 nan 8.290 nan 0.000 0.415 291 F N 0.274 120.263 119.950 0.063 0.000 2.983 291 F HA 0.280 4.811 4.527 0.006 0.000 0.307 291 F C 0.160 176.083 175.800 0.204 0.000 1.218 291 F CA -0.857 57.250 58.000 0.179 0.000 1.323 291 F CB -0.465 38.566 39.000 0.052 0.000 0.989 291 F HN -0.049 nan 8.300 nan 0.000 0.509 292 E N 0.346 120.663 120.200 0.195 0.000 2.529 292 E HA 0.248 4.602 4.350 0.006 0.000 0.259 292 E C 1.225 177.837 176.600 0.020 0.000 0.966 292 E CA 1.323 57.775 56.400 0.086 0.000 0.937 292 E CB 0.436 30.151 29.700 0.026 0.000 0.923 292 E HN 0.605 nan 8.360 nan 0.000 0.468 293 G N 2.269 111.051 108.800 -0.031 0.000 2.234 293 G HA2 -0.292 3.672 3.960 0.006 0.000 0.235 293 G HA3 -0.292 3.672 3.960 0.006 0.000 0.235 293 G C -0.374 174.418 174.900 -0.181 0.000 0.997 293 G CA -0.249 44.762 45.100 -0.149 0.000 0.623 293 G HN 0.460 nan 8.290 nan 0.000 0.514 294 Y N 1.865 122.174 120.300 0.016 0.000 2.320 294 Y HA 0.695 5.248 4.550 0.006 0.000 0.324 294 Y C 1.245 177.119 175.900 -0.044 0.000 1.190 294 Y CA -0.909 57.200 58.100 0.014 0.000 1.215 294 Y CB 0.628 39.147 38.460 0.097 0.000 1.221 294 Y HN 0.009 nan 8.280 nan 0.000 0.486 295 R N 2.265 122.823 120.500 0.097 0.000 2.643 295 R HA 0.179 4.523 4.340 0.006 0.000 0.270 295 R C -0.623 175.665 176.300 -0.020 0.000 1.061 295 R CA -0.092 56.004 56.100 -0.005 0.000 1.107 295 R CB 0.213 30.531 30.300 0.030 0.000 0.999 295 R HN 0.561 nan 8.270 nan 0.000 0.460 296 M N 2.447 122.018 119.600 -0.049 0.000 2.205 296 M HA 0.287 4.770 4.480 0.006 0.000 0.344 296 M C 0.306 176.577 176.300 -0.048 0.000 1.085 296 M CA -0.537 54.714 55.300 -0.081 0.000 1.001 296 M CB 1.231 33.783 32.600 -0.081 0.000 1.626 296 M HN 0.243 nan 8.290 nan 0.000 0.442 297 R N 2.631 123.084 120.500 -0.079 0.000 2.247 297 R HA 0.614 4.957 4.340 0.006 0.000 0.329 297 R C -0.987 175.281 176.300 -0.052 0.000 1.014 297 R CA -0.173 55.899 56.100 -0.047 0.000 0.907 297 R CB 0.537 30.786 30.300 -0.085 0.000 1.146 297 R HN 0.824 nan 8.270 nan 0.000 0.499 298 A N 4.094 126.902 122.820 -0.020 0.000 2.451 298 A HA 0.116 4.440 4.320 0.006 0.000 0.266 298 A C -0.151 177.421 177.584 -0.020 0.000 1.119 298 A CA -0.186 51.844 52.037 -0.012 0.000 0.786 298 A CB 0.607 19.609 19.000 0.004 0.000 1.061 298 A HN 0.741 nan 8.150 nan 0.000 0.503 299 Q N 2.582 122.370 119.800 -0.020 0.000 2.306 299 Q HA 0.694 5.038 4.340 0.006 0.000 0.265 299 Q C -0.457 175.529 176.000 -0.022 0.000 1.022 299 Q CA -0.327 55.451 55.803 -0.042 0.000 0.853 299 Q CB 1.162 29.857 28.738 -0.072 0.000 1.327 299 Q HN 0.740 nan 8.270 nan 0.000 0.449 300 M N 1.893 121.447 119.600 -0.076 0.000 2.197 300 M HA 0.308 4.792 4.480 0.006 0.000 0.305 300 M C 0.179 176.480 176.300 0.000 0.000 1.162 300 M CA -0.489 54.761 55.300 -0.084 0.000 1.099 300 M CB 0.541 32.909 32.600 -0.386 0.000 1.430 300 M HN 0.753 nan 8.290 nan 0.000 0.481 301 N N -0.546 118.218 118.700 0.107 0.000 2.503 301 N HA 0.210 4.954 4.740 0.006 0.000 0.267 301 N C 0.062 175.649 175.510 0.128 0.000 1.214 301 N CA 0.335 53.465 53.050 0.133 0.000 0.959 301 N CB 0.764 39.361 38.487 0.183 0.000 1.142 301 N HN 0.709 nan 8.380 nan 0.000 0.455 302 T N -1.535 113.048 114.554 0.048 0.000 3.123 302 T HA 0.143 4.497 4.350 0.006 0.000 0.266 302 T C 1.302 175.969 174.700 -0.054 0.000 0.873 302 T CA -0.381 61.731 62.100 0.020 0.000 0.854 302 T CB -0.331 68.542 68.868 0.008 0.000 1.254 302 T HN 0.431 nan 8.240 nan 0.000 0.570 303 K N 0.445 120.747 120.400 -0.164 0.000 2.057 303 K HA 0.019 4.343 4.320 0.006 0.000 0.206 303 K C -0.257 176.131 176.600 -0.353 0.000 1.050 303 K CA 1.031 57.096 56.287 -0.370 0.000 0.935 303 K CB 0.030 32.116 32.500 -0.690 0.000 0.715 303 K HN 0.402 nan 8.250 nan 0.000 0.439 304 Y N 0.485 120.816 120.300 0.052 0.000 2.793 304 Y HA 0.340 4.893 4.550 0.006 0.000 0.374 304 Y C -0.393 175.517 175.900 0.016 0.000 1.135 304 Y CA -0.301 57.824 58.100 0.042 0.000 1.451 304 Y CB 0.332 38.827 38.460 0.059 0.000 1.541 304 Y HN -0.013 nan 8.280 nan 0.000 0.546 305 M N 1.007 120.670 119.600 0.104 0.000 2.263 305 M HA 0.375 4.859 4.480 0.006 0.000 0.295 305 M C -0.659 175.647 176.300 0.010 0.000 1.028 305 M CA -0.179 55.143 55.300 0.037 0.000 0.921 305 M CB 1.676 34.285 32.600 0.014 0.000 1.601 305 M HN 0.299 nan 8.290 nan 0.000 0.440 306 E N 1.865 122.057 120.200 -0.012 0.000 3.232 306 E HA 0.542 4.896 4.350 0.006 0.000 0.248 306 E C 0.025 176.586 176.600 -0.066 0.000 1.048 306 E CA -0.031 56.352 56.400 -0.027 0.000 1.204 306 E CB 1.388 31.077 29.700 -0.018 0.000 1.535 306 E HN 0.806 nan 8.360 nan 0.000 0.567 307 A N 0.355 123.132 122.820 -0.072 0.000 2.275 307 A HA 0.053 4.377 4.320 0.006 0.000 0.212 307 A C 0.777 178.286 177.584 -0.126 0.000 1.201 307 A CA 0.174 52.147 52.037 -0.106 0.000 0.843 307 A CB 0.066 19.012 19.000 -0.090 0.000 0.873 307 A HN 0.177 nan 8.150 nan 0.000 0.492 308 S N 0.066 115.703 115.700 -0.105 0.000 2.475 308 S HA 0.300 4.773 4.470 0.006 0.000 0.281 308 S C 1.406 175.920 174.600 -0.143 0.000 1.198 308 S CA 0.279 58.415 58.200 -0.107 0.000 1.063 308 S CB 0.857 64.015 63.200 -0.070 0.000 0.972 308 S HN 0.576 nan 8.310 nan 0.000 0.486 309 T N 2.841 117.294 114.554 -0.167 0.000 3.023 309 T HA 0.024 4.377 4.350 0.006 0.000 0.266 309 T C 1.714 176.342 174.700 -0.121 0.000 1.093 309 T CA 0.362 62.346 62.100 -0.193 0.000 1.129 309 T CB -0.184 68.521 68.868 -0.273 0.000 0.899 309 T HN 0.650 nan 8.240 nan 0.000 0.491 310 R N 0.991 121.441 120.500 -0.082 0.000 2.090 310 R HA 0.009 4.352 4.340 0.006 0.000 0.228 310 R C 2.436 178.693 176.300 -0.073 0.000 1.110 310 R CA 1.336 57.403 56.100 -0.055 0.000 0.973 310 R CB -0.263 30.018 30.300 -0.032 0.000 0.869 310 R HN 0.614 nan 8.270 nan 0.000 0.440 311 E N 0.047 120.197 120.200 -0.084 0.000 2.047 311 E HA -0.157 4.196 4.350 0.006 0.000 0.191 311 E C 1.734 178.248 176.600 -0.143 0.000 0.987 311 E CA 1.145 57.492 56.400 -0.088 0.000 0.799 311 E CB -0.060 29.598 29.700 -0.071 0.000 0.752 311 E HN 0.439 nan 8.360 nan 0.000 0.449 312 A N 0.235 122.935 122.820 -0.200 0.000 1.969 312 A HA -0.134 4.189 4.320 0.006 0.000 0.218 312 A C 2.341 179.573 177.584 -0.586 0.000 1.169 312 A CA 1.847 53.659 52.037 -0.374 0.000 0.635 312 A CB -0.746 18.060 19.000 -0.324 0.000 0.810 312 A HN 0.285 nan 8.150 nan 0.000 0.445 313 T N -0.434 113.944 114.554 -0.294 0.000 2.701 313 T HA -0.101 4.252 4.350 0.006 0.000 0.263 313 T C 1.924 176.567 174.700 -0.095 0.000 1.040 313 T CA 1.560 63.566 62.100 -0.156 0.000 1.147 313 T CB -0.388 68.456 68.868 -0.039 0.000 0.865 313 T HN 0.147 nan 8.240 nan 0.000 0.426 314 V N 1.488 121.354 119.914 -0.081 0.000 2.282 314 V HA -0.228 3.895 4.120 0.006 0.000 0.249 314 V C 2.781 178.859 176.094 -0.026 0.000 1.057 314 V CA 2.157 64.435 62.300 -0.036 0.000 1.032 314 V CB -1.169 30.634 31.823 -0.033 0.000 0.645 314 V HN 0.518 nan 8.190 nan 0.000 0.447 315 T N -1.371 113.138 114.554 -0.075 0.000 2.803 315 T HA -0.228 4.125 4.350 0.006 0.000 0.269 315 T C 1.620 176.370 174.700 0.084 0.000 1.052 315 T CA 1.898 63.985 62.100 -0.022 0.000 1.136 315 T CB -0.381 68.453 68.868 -0.056 0.000 0.864 315 T HN 0.703 nan 8.240 nan 0.000 0.467 316 H N -0.620 118.467 119.070 0.028 0.000 2.436 316 H HA 0.090 4.650 4.556 0.006 0.000 0.294 316 H C 2.286 177.633 175.328 0.032 0.000 1.048 316 H CA 0.453 56.520 56.048 0.031 0.000 1.353 316 H CB 0.182 29.959 29.762 0.025 0.000 1.414 316 H HN 0.141 nan 8.280 nan 0.000 0.536 317 V N 1.165 121.168 119.914 0.147 0.000 2.427 317 V HA -0.221 3.903 4.120 0.006 0.000 0.248 317 V C 2.339 178.480 176.094 0.079 0.000 1.051 317 V CA 1.260 63.616 62.300 0.094 0.000 1.048 317 V CB -0.373 31.488 31.823 0.064 0.000 0.666 317 V HN 0.373 nan 8.190 nan 0.000 0.456 318 L N -0.065 121.204 121.223 0.077 0.000 1.994 318 L HA -0.214 4.129 4.340 0.006 0.000 0.208 318 L C 2.314 179.233 176.870 0.081 0.000 1.071 318 L CA 2.182 57.063 54.840 0.069 0.000 0.745 318 L CB -0.938 41.159 42.059 0.063 0.000 0.892 318 L HN 0.427 nan 8.230 nan 0.000 0.431 319 N N -0.002 118.763 118.700 0.107 0.000 2.133 319 N HA -0.257 4.487 4.740 0.006 0.000 0.193 319 N C 1.830 177.383 175.510 0.072 0.000 1.012 319 N CA 1.130 54.241 53.050 0.102 0.000 0.871 319 N CB -0.197 38.364 38.487 0.124 0.000 1.011 319 N HN 0.265 nan 8.380 nan 0.000 0.435 320 L N 0.035 121.300 121.223 0.070 0.000 2.240 320 L HA -0.052 4.291 4.340 0.006 0.000 0.211 320 L C 2.089 178.986 176.870 0.045 0.000 1.106 320 L CA 0.246 55.117 54.840 0.052 0.000 0.793 320 L CB -0.068 42.024 42.059 0.054 0.000 0.927 320 L HN 0.215 nan 8.230 nan 0.000 0.446 321 L N -0.505 120.746 121.223 0.048 0.000 2.156 321 L HA -0.141 4.202 4.340 0.006 0.000 0.208 321 L C 2.303 179.195 176.870 0.036 0.000 1.095 321 L CA 1.483 56.346 54.840 0.039 0.000 0.770 321 L CB -0.244 41.838 42.059 0.038 0.000 0.914 321 L HN 0.054 nan 8.230 nan 0.000 0.439 322 I N -0.700 119.897 120.570 0.045 0.000 2.099 322 I HA -0.273 3.900 4.170 0.006 0.000 0.239 322 I C 2.487 178.621 176.117 0.028 0.000 1.066 322 I CA 1.555 62.880 61.300 0.042 0.000 1.324 322 I CB -1.558 36.479 38.000 0.061 0.000 1.037 322 I HN 0.239 nan 8.210 nan 0.000 0.401 323 S N 0.596 116.313 115.700 0.029 0.000 2.387 323 S HA -0.240 4.234 4.470 0.006 0.000 0.230 323 S C 1.977 176.585 174.600 0.013 0.000 1.035 323 S CA 1.680 59.891 58.200 0.017 0.000 1.014 323 S CB -0.262 62.951 63.200 0.021 0.000 0.836 323 S HN 0.299 nan 8.310 nan 0.000 0.466 324 K N 1.356 121.767 120.400 0.018 0.000 2.217 324 K HA 0.163 4.487 4.320 0.006 0.000 0.202 324 K C 1.571 178.177 176.600 0.009 0.000 1.051 324 K CA 0.836 57.132 56.287 0.014 0.000 0.952 324 K CB -0.293 32.218 32.500 0.019 0.000 0.736 324 K HN 0.310 nan 8.250 nan 0.000 0.453 325 L N 0.343 121.573 121.223 0.011 0.000 2.552 325 L HA 0.009 4.353 4.340 0.006 0.000 0.227 325 L C 1.261 178.131 176.870 0.000 0.000 1.146 325 L CA 0.886 55.730 54.840 0.007 0.000 0.858 325 L CB -0.401 41.664 42.059 0.010 0.000 0.969 325 L HN 0.420 nan 8.230 nan 0.000 0.451 326 T N -3.571 110.981 114.554 -0.003 0.000 1.796 326 T HA 0.316 4.669 4.350 0.006 0.000 0.177 326 T C 0.065 174.756 174.700 -0.015 0.000 0.689 326 T CA -0.617 61.476 62.100 -0.011 0.000 1.180 326 T CB 1.363 70.220 68.868 -0.018 0.000 3.041 326 T HN -0.042 nan 8.240 nan 0.000 0.426 327 R N 0.011 120.498 120.500 -0.022 0.000 2.795 327 R HA 0.732 5.076 4.340 0.006 0.000 0.275 327 R C -2.108 174.178 176.300 -0.024 0.000 0.981 327 R CA -0.701 55.383 56.100 -0.026 0.000 0.917 327 R CB 2.121 32.399 30.300 -0.036 0.000 1.202 327 R HN 0.949 nan 8.270 nan 0.000 0.469 328 A N 2.782 125.592 122.820 -0.017 0.000 2.547 328 A HA 0.247 4.571 4.320 0.006 0.000 0.279 328 A C -0.646 176.945 177.584 0.013 0.000 1.088 328 A CA -0.703 51.333 52.037 -0.001 0.000 0.796 328 A CB 1.079 20.089 19.000 0.016 0.000 1.308 328 A HN 0.898 nan 8.150 nan 0.000 0.415 329 D N 1.502 121.905 120.400 0.004 0.000 2.162 329 D HA 0.054 4.697 4.640 0.006 0.000 0.203 329 D C 0.571 177.031 176.300 0.266 0.000 0.967 329 D CA 1.425 55.434 54.000 0.015 0.000 0.840 329 D CB 0.440 41.124 40.800 -0.193 0.000 0.972 329 D HN 0.611 nan 8.370 nan 0.000 0.482 330 I N 0.129 120.845 120.570 0.244 0.000 2.740 330 I HA 0.249 4.422 4.170 0.006 0.000 0.303 330 I C -0.581 175.621 176.117 0.142 0.000 1.044 330 I CA -0.861 60.602 61.300 0.272 0.000 1.064 330 I CB 2.225 40.388 38.000 0.272 0.000 1.249 330 I HN -0.291 nan 8.210 nan 0.000 0.433 331 Q N 3.501 123.377 119.800 0.128 0.000 2.444 331 Q HA 0.382 4.725 4.340 0.006 0.000 0.251 331 Q C -1.566 174.460 176.000 0.044 0.000 0.939 331 Q CA -0.279 55.562 55.803 0.064 0.000 0.740 331 Q CB 1.704 30.475 28.738 0.055 0.000 1.308 331 Q HN 0.655 nan 8.270 nan 0.000 0.461 332 S N 1.692 117.393 115.700 0.002 0.000 2.617 332 S HA 0.747 5.220 4.470 0.006 0.000 0.269 332 S C -0.074 174.481 174.600 -0.075 0.000 1.292 332 S CA 0.032 58.204 58.200 -0.046 0.000 1.010 332 S CB 0.946 64.092 63.200 -0.090 0.000 0.944 332 S HN 0.777 nan 8.310 nan 0.000 0.536 333 T N -0.986 113.514 114.554 -0.090 0.000 2.907 333 T HA 0.747 5.100 4.350 0.006 0.000 0.290 333 T C -0.876 173.738 174.700 -0.143 0.000 1.066 333 T CA -0.784 61.238 62.100 -0.130 0.000 1.012 333 T CB 0.749 69.575 68.868 -0.070 0.000 1.184 333 T HN 0.275 nan 8.240 nan 0.000 0.522 334 I N 2.134 122.572 120.570 -0.220 0.000 2.608 334 I HA 0.389 4.562 4.170 0.006 0.000 0.295 334 I C 0.930 177.045 176.117 -0.004 0.000 1.049 334 I CA -0.529 60.705 61.300 -0.110 0.000 1.063 334 I CB 2.063 39.996 38.000 -0.112 0.000 1.248 334 I HN 1.102 nan 8.210 nan 0.000 0.424 335 T N 2.650 117.224 114.554 0.034 0.000 2.930 335 T HA 0.234 4.587 4.350 0.006 0.000 0.306 335 T C -2.028 172.701 174.700 0.049 0.000 1.045 335 T CA -1.101 61.035 62.100 0.060 0.000 1.134 335 T CB 0.738 69.634 68.868 0.046 0.000 0.961 335 T HN 0.364 nan 8.240 nan 0.000 0.545 336 P HA 0.024 nan 4.420 nan 0.000 0.233 336 P C 0.950 178.056 177.300 -0.322 0.000 1.167 336 P CA 0.532 63.566 63.100 -0.111 0.000 0.770 336 P CB 0.005 31.634 31.700 -0.120 0.000 0.837 337 D N -0.933 119.180 120.400 -0.479 0.000 2.340 337 D HA -0.095 4.548 4.640 0.006 0.000 0.220 337 D C 1.486 177.582 176.300 -0.339 0.000 1.039 337 D CA 0.204 53.848 54.000 -0.594 0.000 0.866 337 D CB -0.509 39.752 40.800 -0.898 0.000 0.913 337 D HN 0.030 nan 8.370 nan 0.000 0.523 338 E N 1.132 121.217 120.200 -0.192 0.000 2.118 338 E HA -0.122 4.231 4.350 0.006 0.000 0.195 338 E C 1.768 178.300 176.600 -0.113 0.000 0.992 338 E CA 1.350 57.681 56.400 -0.114 0.000 0.804 338 E CB -0.327 29.349 29.700 -0.040 0.000 0.741 338 E HN 0.491 nan 8.360 nan 0.000 0.458 339 G N -0.232 108.495 108.800 -0.122 0.000 3.042 339 G HA2 -0.072 3.892 3.960 0.006 0.000 0.212 339 G HA3 -0.072 3.892 3.960 0.006 0.000 0.212 339 G C 1.600 176.425 174.900 -0.125 0.000 1.166 339 G CA -0.101 44.940 45.100 -0.099 0.000 0.767 339 G HN 0.103 nan 8.290 nan 0.000 0.546 340 R N 0.176 120.562 120.500 -0.190 0.000 2.254 340 R HA 0.165 4.508 4.340 0.006 0.000 0.193 340 R C 0.713 176.886 176.300 -0.211 0.000 0.929 340 R CA 0.789 56.761 56.100 -0.213 0.000 1.038 340 R CB 0.130 30.248 30.300 -0.302 0.000 1.009 340 R HN 0.620 nan 8.270 nan 0.000 0.512 341 N N -2.672 115.894 118.700 -0.223 0.000 3.352 341 N HA -0.022 4.722 4.740 0.006 0.000 0.325 341 N C -1.421 174.007 175.510 -0.136 0.000 1.375 341 N CA -0.852 52.094 53.050 -0.172 0.000 0.842 341 N CB 1.030 39.387 38.487 -0.216 0.000 1.810 341 N HN -0.266 nan 8.380 nan 0.000 0.418 342 V N 1.602 121.484 119.914 -0.054 0.000 2.530 342 V HA 0.330 4.454 4.120 0.006 0.000 0.282 342 V C -2.053 174.068 176.094 0.045 0.000 1.048 342 V CA -1.024 61.273 62.300 -0.005 0.000 0.997 342 V CB 0.645 32.474 31.823 0.010 0.000 0.987 342 V HN 0.523 nan 8.190 nan 0.000 0.477 343 P HA -0.061 nan 4.420 nan 0.000 0.261 343 P C -0.872 176.594 177.300 0.276 0.000 1.173 343 P CA 0.349 63.500 63.100 0.085 0.000 0.760 343 P CB 0.236 31.984 31.700 0.080 0.000 0.783 344 W N 2.269 123.583 121.300 0.023 0.000 2.576 344 W HA 0.234 4.899 4.660 0.009 0.000 0.360 344 W C 1.844 178.326 176.519 -0.062 0.000 1.109 344 W CA -0.411 56.876 57.345 -0.096 0.000 1.237 344 W CB -0.541 28.904 29.460 -0.025 0.000 1.369 344 W HN 0.511 nan 8.180 nan 0.000 0.609 345 H N 1.284 120.466 119.070 0.185 0.000 2.319 345 H HA -0.176 4.383 4.556 0.005 0.000 0.297 345 H C 1.934 177.280 175.328 0.030 0.000 1.097 345 H CA 2.507 58.601 56.048 0.078 0.000 1.285 345 H CB -0.820 28.950 29.762 0.013 0.000 1.368 345 H HN 0.481 nan 8.280 nan 0.000 0.495 346 I N -2.172 118.440 120.570 0.070 0.000 2.830 346 I HA -0.163 4.011 4.170 0.006 0.000 0.263 346 I C 1.293 177.254 176.117 -0.259 0.000 1.230 346 I CA 1.372 62.575 61.300 -0.163 0.000 1.480 346 I CB -0.364 37.435 38.000 -0.335 0.000 1.095 346 I HN -0.070 nan 8.210 nan 0.000 0.455 347 Y N 1.188 121.555 120.300 0.113 0.000 2.449 347 Y HA 0.207 4.761 4.550 0.006 0.000 0.254 347 Y C 1.810 177.734 175.900 0.040 0.000 1.140 347 Y CA -0.011 58.115 58.100 0.043 0.000 1.272 347 Y CB -0.511 37.935 38.460 -0.022 0.000 1.114 347 Y HN 0.197 nan 8.280 nan 0.000 0.525 348 N N -0.266 118.539 118.700 0.175 0.000 2.333 348 N HA -0.065 4.679 4.740 0.006 0.000 0.178 348 N C 1.355 176.906 175.510 0.068 0.000 1.018 348 N CA 0.837 53.961 53.050 0.123 0.000 0.882 348 N CB -0.062 38.507 38.487 0.138 0.000 0.984 348 N HN 0.087 nan 8.380 nan 0.000 0.434 349 I N 1.419 121.997 120.570 0.013 0.000 2.333 349 I HA -0.085 4.088 4.170 0.006 0.000 0.246 349 I C 1.993 178.058 176.117 -0.087 0.000 1.106 349 I CA 0.824 62.054 61.300 -0.116 0.000 1.411 349 I CB -0.658 37.172 38.000 -0.284 0.000 1.082 349 I HN 0.160 nan 8.210 nan 0.000 0.420 350 E N 0.646 120.841 120.200 -0.010 0.000 2.086 350 E HA -0.296 4.057 4.350 0.006 0.000 0.200 350 E C 2.270 178.922 176.600 0.085 0.000 1.012 350 E CA 1.791 58.230 56.400 0.065 0.000 0.812 350 E CB -0.254 29.559 29.700 0.189 0.000 0.743 350 E HN 0.496 nan 8.360 nan 0.000 0.453 351 A N 0.775 123.653 122.820 0.097 0.000 1.933 351 A HA -0.183 4.141 4.320 0.006 0.000 0.218 351 A C 2.528 180.150 177.584 0.062 0.000 1.175 351 A CA 1.297 53.385 52.037 0.085 0.000 0.628 351 A CB -0.775 18.265 19.000 0.066 0.000 0.814 351 A HN 0.340 nan 8.150 nan 0.000 0.444 352 C N -0.352 118.983 119.300 0.058 0.000 2.491 352 C HA -0.111 4.353 4.460 0.006 0.000 0.283 352 C C 2.378 177.418 174.990 0.083 0.000 1.238 352 C CA 1.060 60.121 59.018 0.071 0.000 1.735 352 C CB -1.274 26.522 27.740 0.093 0.000 2.080 352 C HN 0.628 nan 8.230 nan 0.000 0.463 353 D N 0.273 120.723 120.400 0.083 0.000 2.172 353 D HA -0.142 4.502 4.640 0.006 0.000 0.196 353 D C 2.118 178.472 176.300 0.089 0.000 0.999 353 D CA 1.856 55.918 54.000 0.103 0.000 0.856 353 D CB -0.647 40.208 40.800 0.092 0.000 0.934 353 D HN 0.481 nan 8.370 nan 0.000 0.453 354 T N 0.154 114.758 114.554 0.083 0.000 2.812 354 T HA -0.017 4.336 4.350 0.006 0.000 0.264 354 T C 1.971 176.717 174.700 0.076 0.000 1.042 354 T CA 1.256 63.407 62.100 0.086 0.000 1.140 354 T CB -0.124 68.807 68.868 0.104 0.000 0.870 354 T HN 0.212 nan 8.240 nan 0.000 0.445 355 A N 1.558 124.418 122.820 0.067 0.000 1.873 355 A HA -0.076 4.248 4.320 0.006 0.000 0.215 355 A C 2.214 179.830 177.584 0.053 0.000 1.186 355 A CA 1.787 53.857 52.037 0.054 0.000 0.616 355 A CB -0.454 18.571 19.000 0.042 0.000 0.823 355 A HN 0.443 nan 8.150 nan 0.000 0.442 356 K N -0.547 119.889 120.400 0.060 0.000 2.062 356 K HA -0.177 4.146 4.320 0.006 0.000 0.205 356 K C 2.296 178.925 176.600 0.048 0.000 1.051 356 K CA 1.525 57.843 56.287 0.052 0.000 0.941 356 K CB -0.198 32.339 32.500 0.063 0.000 0.719 356 K HN 0.617 nan 8.250 nan 0.000 0.440 357 Q N -0.096 119.741 119.800 0.061 0.000 2.167 357 Q HA -0.117 4.227 4.340 0.006 0.000 0.202 357 Q C 1.707 177.735 176.000 0.047 0.000 0.970 357 Q CA 1.222 57.060 55.803 0.058 0.000 0.855 357 Q CB -0.037 28.744 28.738 0.072 0.000 0.911 357 Q HN 0.404 nan 8.270 nan 0.000 0.438 358 A N 0.739 123.588 122.820 0.049 0.000 1.854 358 A HA -0.078 4.245 4.320 0.006 0.000 0.214 358 A C 2.015 179.619 177.584 0.035 0.000 1.192 358 A CA 0.930 52.992 52.037 0.043 0.000 0.611 358 A CB -0.627 18.403 19.000 0.050 0.000 0.832 358 A HN 0.409 nan 8.150 nan 0.000 0.442 359 L N -0.181 121.063 121.223 0.035 0.000 2.083 359 L HA -0.181 4.162 4.340 0.006 0.000 0.209 359 L C 2.368 179.256 176.870 0.030 0.000 1.083 359 L CA 0.607 55.466 54.840 0.031 0.000 0.752 359 L CB -0.604 41.474 42.059 0.031 0.000 0.899 359 L HN 0.284 nan 8.230 nan 0.000 0.433 360 I N 0.573 121.160 120.570 0.028 0.000 2.072 360 I HA -0.191 3.982 4.170 0.006 0.000 0.235 360 I C 2.770 178.912 176.117 0.041 0.000 1.058 360 I CA 1.779 63.101 61.300 0.037 0.000 1.320 360 I CB -2.058 35.952 38.000 0.017 0.000 1.047 360 I HN 0.263 nan 8.210 nan 0.000 0.397 361 G N 1.057 109.867 108.800 0.017 0.000 2.728 361 G HA2 -0.336 3.627 3.960 0.006 0.000 0.224 361 G HA3 -0.336 3.627 3.960 0.006 0.000 0.224 361 G C 1.430 176.324 174.900 -0.010 0.000 1.139 361 G CA 1.389 46.485 45.100 -0.007 0.000 0.761 361 G HN 0.433 nan 8.290 nan 0.000 0.621 362 M N 0.840 120.445 119.600 0.008 0.000 2.626 362 M HA 0.231 4.715 4.480 0.006 0.000 0.262 362 M C 0.040 176.349 176.300 0.014 0.000 1.256 362 M CA -0.434 54.870 55.300 0.007 0.000 0.981 362 M CB 0.328 32.936 32.600 0.014 0.000 1.492 362 M HN 0.025 nan 8.290 nan 0.000 0.474 363 D N 1.128 121.543 120.400 0.026 0.000 2.533 363 D HA 0.094 4.737 4.640 0.006 0.000 0.236 363 D C 1.242 177.551 176.300 0.015 0.000 1.137 363 D CA 1.712 55.740 54.000 0.047 0.000 0.867 363 D CB 0.558 41.423 40.800 0.108 0.000 1.170 363 D HN 0.549 nan 8.370 nan 0.000 0.474 364 G N 3.095 111.908 108.800 0.021 0.000 2.379 364 G HA2 -0.314 3.650 3.960 0.006 0.000 0.297 364 G HA3 -0.314 3.650 3.960 0.006 0.000 0.297 364 G C 0.905 175.804 174.900 -0.003 0.000 1.004 364 G CA 0.629 45.733 45.100 0.006 0.000 0.921 364 G HN 0.531 nan 8.290 nan 0.000 0.511 365 L N -0.538 120.685 121.223 0.001 0.000 2.056 365 L HA 0.157 4.501 4.340 0.006 0.000 0.207 365 L C 2.587 179.456 176.870 -0.001 0.000 1.078 365 L CA 2.006 56.845 54.840 -0.002 0.000 0.749 365 L CB -0.206 41.854 42.059 0.002 0.000 0.901 365 L HN 0.350 nan 8.230 nan 0.000 0.433 366 M N -0.733 118.867 119.600 0.001 0.000 2.682 366 M HA -0.023 4.461 4.480 0.006 0.000 0.235 366 M C 0.816 177.114 176.300 -0.002 0.000 1.114 366 M CA 0.544 55.844 55.300 -0.001 0.000 1.053 366 M CB -1.145 31.454 32.600 -0.001 0.000 1.599 366 M HN 0.200 nan 8.290 nan 0.000 0.520 367 D N -0.264 120.134 120.400 -0.003 0.000 2.305 367 D HA 0.083 4.727 4.640 0.006 0.000 0.206 367 D C 1.852 178.149 176.300 -0.005 0.000 0.974 367 D CA 0.823 54.821 54.000 -0.004 0.000 0.871 367 D CB 0.216 41.013 40.800 -0.005 0.000 0.947 367 D HN 0.345 nan 8.370 nan 0.000 0.516 368 M N -0.337 119.260 119.600 -0.005 0.000 2.491 368 M HA 0.152 4.635 4.480 0.006 0.000 0.259 368 M C 0.003 176.302 176.300 -0.003 0.000 1.163 368 M CA 0.260 55.557 55.300 -0.005 0.000 1.109 368 M CB 1.820 34.415 32.600 -0.008 0.000 1.353 368 M HN -0.290 nan 8.290 nan 0.000 0.500 369 V N 1.450 121.363 119.914 -0.002 0.000 2.680 369 V HA 0.400 4.524 4.120 0.006 0.000 0.309 369 V C -0.797 175.297 176.094 0.000 0.000 1.052 369 V CA -0.645 61.655 62.300 0.000 0.000 0.908 369 V CB 2.112 33.936 31.823 0.002 0.000 1.001 369 V HN 0.369 nan 8.190 nan 0.000 0.431 370 Q N 3.667 123.467 119.800 0.000 0.000 2.456 370 Q HA 0.715 5.059 4.340 0.006 0.000 0.284 370 Q C -1.614 174.386 176.000 -0.001 0.000 1.061 370 Q CA -1.030 54.773 55.803 -0.001 0.000 0.799 370 Q CB 2.281 31.019 28.738 -0.001 0.000 1.445 370 Q HN 0.547 nan 8.270 nan 0.000 0.411 371 L N 1.807 123.029 121.223 -0.003 0.000 2.410 371 L HA 0.245 4.589 4.340 0.006 0.000 0.273 371 L C 0.444 177.311 176.870 -0.005 0.000 1.144 371 L CA -0.269 54.568 54.840 -0.005 0.000 0.863 371 L CB 0.315 42.370 42.059 -0.007 0.000 1.140 371 L HN 0.633 nan 8.230 nan 0.000 0.463 372 K N 3.002 123.398 120.400 -0.007 0.000 2.686 372 K HA -0.059 4.265 4.320 0.006 0.000 0.244 372 K C 1.276 177.871 176.600 -0.008 0.000 1.262 372 K CA -0.114 56.169 56.287 -0.005 0.000 1.199 372 K CB -0.072 32.425 32.500 -0.005 0.000 1.428 372 K HN 0.348 nan 8.250 nan 0.000 0.247 373 R N 1.091 121.588 120.500 -0.006 0.000 2.170 373 R HA -0.135 4.208 4.340 0.006 0.000 0.242 373 R C -0.057 176.242 176.300 -0.002 0.000 1.145 373 R CA 1.491 57.588 56.100 -0.004 0.000 0.984 373 R CB 0.122 30.421 30.300 -0.001 0.000 0.869 373 R HN 0.205 nan 8.270 nan 0.000 0.455 374 E N 0.014 120.214 120.200 0.000 0.000 2.115 374 E HA 0.481 4.834 4.350 0.006 0.000 0.282 374 E C 0.192 176.794 176.600 0.003 0.000 0.987 374 E CA 0.379 56.782 56.400 0.004 0.000 0.797 374 E CB 1.087 30.790 29.700 0.005 0.000 1.086 374 E HN 0.445 nan 8.360 nan 0.000 0.397 375 G N 0.704 109.507 108.800 0.005 0.000 2.288 375 G HA2 -0.185 3.778 3.960 0.006 0.000 0.227 375 G HA3 -0.185 3.778 3.960 0.006 0.000 0.227 375 G C 0.324 175.225 174.900 0.003 0.000 1.339 375 G CA -0.278 44.826 45.100 0.007 0.000 1.057 375 G HN 0.322 nan 8.290 nan 0.000 0.470 376 V N 0.410 120.322 119.914 -0.003 0.000 2.626 376 V HA 0.003 4.126 4.120 0.006 0.000 0.252 376 V C 2.778 178.836 176.094 -0.060 0.000 1.067 376 V CA 2.829 65.121 62.300 -0.013 0.000 1.081 376 V CB -0.220 31.607 31.823 0.006 0.000 0.686 376 V HN 0.717 nan 8.190 nan 0.000 0.468 377 L N 0.874 122.053 121.223 -0.074 0.000 2.005 377 L HA 0.075 4.419 4.340 0.006 0.000 0.207 377 L C 2.444 179.299 176.870 -0.025 0.000 1.072 377 L CA 2.580 57.375 54.840 -0.075 0.000 0.744 377 L CB -1.401 40.620 42.059 -0.063 0.000 0.895 377 L HN 0.286 nan 8.230 nan 0.000 0.433 378 G N -1.037 107.758 108.800 -0.009 0.000 2.469 378 G HA2 -0.297 3.667 3.960 0.006 0.000 0.219 378 G HA3 -0.297 3.667 3.960 0.006 0.000 0.219 378 G C 1.361 176.273 174.900 0.020 0.000 1.150 378 G CA 1.041 46.146 45.100 0.008 0.000 0.763 378 G HN 0.467 nan 8.290 nan 0.000 0.561 379 D N -0.074 120.339 120.400 0.021 0.000 2.103 379 D HA -0.064 4.580 4.640 0.006 0.000 0.199 379 D C 2.761 179.091 176.300 0.050 0.000 0.978 379 D CA 1.464 55.485 54.000 0.035 0.000 0.829 379 D CB -0.309 40.514 40.800 0.037 0.000 0.981 379 D HN 0.211 nan 8.370 nan 0.000 0.464 380 T N 1.139 115.720 114.554 0.045 0.000 2.720 380 T HA -0.117 4.237 4.350 0.006 0.000 0.268 380 T C 2.280 177.033 174.700 0.087 0.000 1.037 380 T CA 0.671 62.813 62.100 0.071 0.000 1.144 380 T CB -0.364 68.530 68.868 0.044 0.000 0.864 380 T HN -0.043 nan 8.240 nan 0.000 0.444 381 V N 1.677 121.629 119.914 0.063 0.000 2.255 381 V HA -0.229 3.895 4.120 0.006 0.000 0.247 381 V C 2.654 178.797 176.094 0.082 0.000 1.051 381 V CA 2.068 64.412 62.300 0.074 0.000 1.018 381 V CB -0.606 31.245 31.823 0.047 0.000 0.641 381 V HN 0.313 nan 8.190 nan 0.000 0.445 382 R N 0.756 121.296 120.500 0.065 0.000 2.112 382 R HA -0.236 4.108 4.340 0.006 0.000 0.242 382 R C 2.357 178.704 176.300 0.078 0.000 1.137 382 R CA 2.466 58.604 56.100 0.063 0.000 0.944 382 R CB -0.844 29.486 30.300 0.049 0.000 0.857 382 R HN 0.624 nan 8.270 nan 0.000 0.435 383 E N 0.202 120.453 120.200 0.085 0.000 2.077 383 E HA -0.197 4.157 4.350 0.006 0.000 0.193 383 E C 2.069 178.739 176.600 0.115 0.000 0.989 383 E CA 1.617 58.072 56.400 0.091 0.000 0.800 383 E CB -0.167 29.590 29.700 0.097 0.000 0.746 383 E HN 0.460 nan 8.360 nan 0.000 0.452 384 L N 0.796 122.113 121.223 0.157 0.000 1.971 384 L HA -0.262 4.082 4.340 0.006 0.000 0.215 384 L C 2.857 179.829 176.870 0.170 0.000 1.072 384 L CA 1.922 56.882 54.840 0.199 0.000 0.758 384 L CB -0.458 41.751 42.059 0.250 0.000 0.889 384 L HN 0.080 nan 8.230 nan 0.000 0.433 385 K N -0.144 120.343 120.400 0.145 0.000 2.015 385 K HA -0.269 4.054 4.320 0.006 0.000 0.216 385 K C 1.989 178.656 176.600 0.111 0.000 1.052 385 K CA 2.130 58.491 56.287 0.124 0.000 0.937 385 K CB -0.274 32.283 32.500 0.095 0.000 0.719 385 K HN 0.322 nan 8.250 nan 0.000 0.446 386 E N 0.279 120.535 120.200 0.092 0.000 2.055 386 E HA -0.264 4.090 4.350 0.006 0.000 0.209 386 E C 2.088 178.752 176.600 0.107 0.000 1.036 386 E CA 1.659 58.108 56.400 0.083 0.000 0.849 386 E CB -0.130 29.607 29.700 0.061 0.000 0.767 386 E HN 0.212 nan 8.360 nan 0.000 0.461 387 R N -0.079 120.483 120.500 0.104 0.000 2.153 387 R HA -0.221 4.122 4.340 0.006 0.000 0.252 387 R C 2.244 178.684 176.300 0.234 0.000 1.158 387 R CA 1.323 57.511 56.100 0.146 0.000 0.975 387 R CB -0.329 30.011 30.300 0.067 0.000 0.871 387 R HN 0.186 nan 8.270 nan 0.000 0.450 388 A N 0.054 122.986 122.820 0.185 0.000 1.970 388 A HA -0.022 4.301 4.320 0.006 0.000 0.216 388 A C 2.252 179.926 177.584 0.149 0.000 1.170 388 A CA 0.746 52.886 52.037 0.170 0.000 0.645 388 A CB -0.069 19.026 19.000 0.157 0.000 0.816 388 A HN 0.117 nan 8.150 nan 0.000 0.447 389 V N 0.258 120.251 119.914 0.133 0.000 2.427 389 V HA -0.214 3.909 4.120 0.006 0.000 0.248 389 V C 2.533 178.712 176.094 0.141 0.000 1.051 389 V CA 1.716 64.084 62.300 0.113 0.000 1.048 389 V CB -0.630 31.245 31.823 0.085 0.000 0.666 389 V HN 0.569 nan 8.190 nan 0.000 0.456 390 L N -1.269 120.063 121.223 0.182 0.000 1.994 390 L HA -0.218 4.125 4.340 0.006 0.000 0.208 390 L C 2.349 179.381 176.870 0.269 0.000 1.071 390 L CA 2.090 57.075 54.840 0.242 0.000 0.745 390 L CB -0.686 41.546 42.059 0.289 0.000 0.892 390 L HN 0.306 nan 8.230 nan 0.000 0.431 391 F N 0.154 120.067 119.950 -0.061 0.000 2.065 391 F HA -0.369 4.161 4.527 0.006 0.000 0.298 391 F C 2.769 178.450 175.800 -0.198 0.000 1.112 391 F CA 1.518 59.138 58.000 -0.633 0.000 1.212 391 F CB 0.002 38.593 39.000 -0.682 0.000 0.975 391 F HN -0.006 nan 8.300 nan 0.000 0.476 392 M N 0.039 119.800 119.600 0.268 0.000 2.106 392 M HA -0.287 4.197 4.480 0.006 0.000 0.259 392 M C 2.025 178.429 176.300 0.172 0.000 1.068 392 M CA 1.886 57.307 55.300 0.201 0.000 1.100 392 M CB -1.252 31.422 32.600 0.122 0.000 1.351 392 M HN 0.307 nan 8.290 nan 0.000 0.404 393 E N -0.093 120.194 120.200 0.146 0.000 2.051 393 E HA -0.228 4.125 4.350 0.006 0.000 0.192 393 E C 1.956 178.637 176.600 0.134 0.000 0.991 393 E CA 1.292 57.763 56.400 0.119 0.000 0.799 393 E CB -0.136 29.625 29.700 0.101 0.000 0.748 393 E HN 0.513 nan 8.360 nan 0.000 0.449 394 E N 0.575 120.868 120.200 0.155 0.000 2.118 394 E HA -0.216 4.138 4.350 0.006 0.000 0.195 394 E C 2.005 178.775 176.600 0.282 0.000 0.992 394 E CA 0.897 57.408 56.400 0.185 0.000 0.804 394 E CB -0.027 29.745 29.700 0.121 0.000 0.741 394 E HN 0.263 nan 8.360 nan 0.000 0.458 395 I N 0.397 121.136 120.570 0.280 0.000 2.252 395 I HA -0.262 3.912 4.170 0.006 0.000 0.245 395 I C 2.313 178.502 176.117 0.120 0.000 1.102 395 I CA 0.848 62.288 61.300 0.232 0.000 1.385 395 I CB -0.140 38.037 38.000 0.294 0.000 1.064 395 I HN 0.193 nan 8.210 nan 0.000 0.414 396 I N 0.668 121.306 120.570 0.114 0.000 2.315 396 I HA -0.277 3.896 4.170 0.006 0.000 0.248 396 I C 2.617 178.770 176.117 0.060 0.000 1.117 396 I CA 1.276 62.618 61.300 0.069 0.000 1.404 396 I CB -0.184 37.854 38.000 0.064 0.000 1.071 396 I HN 0.263 nan 8.210 nan 0.000 0.419 397 E N 1.466 121.716 120.200 0.083 0.000 2.058 397 E HA -0.253 4.100 4.350 0.006 0.000 0.194 397 E C 2.002 178.639 176.600 0.062 0.000 0.997 397 E CA 1.520 57.964 56.400 0.073 0.000 0.801 397 E CB -0.109 29.644 29.700 0.089 0.000 0.746 397 E HN 0.459 nan 8.360 nan 0.000 0.450 398 A N -0.228 122.635 122.820 0.073 0.000 2.235 398 A HA 0.279 4.602 4.320 0.006 0.000 0.208 398 A C 1.435 179.011 177.584 -0.014 0.000 1.172 398 A CA 0.804 52.859 52.037 0.031 0.000 0.786 398 A CB -0.367 18.638 19.000 0.009 0.000 0.804 398 A HN 0.563 nan 8.150 nan 0.000 0.479 399 G N -2.353 106.446 108.800 -0.002 0.000 2.173 399 G HA2 0.394 4.358 3.960 0.006 0.000 0.174 399 G HA3 0.394 4.358 3.960 0.006 0.000 0.174 399 G C 0.973 175.861 174.900 -0.020 0.000 1.025 399 G CA 0.172 45.268 45.100 -0.007 0.000 0.706 399 G HN 2.405 nan 8.290 nan 0.000 0.499 400 G N -2.041 106.747 108.800 -0.021 0.000 2.612 400 G HA2 0.178 4.141 3.960 0.006 0.000 0.686 400 G HA3 0.178 4.141 3.960 0.006 0.000 0.686 400 G C 0.241 175.120 174.900 -0.036 0.000 1.274 400 G CA 0.324 45.403 45.100 -0.036 0.000 0.849 400 G HN 1.474 nan 8.290 nan 0.000 0.595 401 Y N 0.518 120.691 120.300 -0.213 0.000 2.053 401 Y HA -0.055 4.498 4.550 0.006 0.000 0.277 401 Y C 2.829 178.683 175.900 -0.077 0.000 1.159 401 Y CA 3.183 61.174 58.100 -0.181 0.000 1.125 401 Y CB -0.432 37.808 38.460 -0.368 0.000 0.969 401 Y HN 0.515 nan 8.280 nan 0.000 0.492 402 F N 0.846 120.714 119.950 -0.137 0.000 2.063 402 F HA -0.334 4.197 4.527 0.006 0.000 0.298 402 F C 2.301 177.965 175.800 -0.225 0.000 1.109 402 F CA 1.720 59.600 58.000 -0.199 0.000 1.212 402 F CB -1.572 37.357 39.000 -0.117 0.000 0.973 402 F HN 0.174 nan 8.300 nan 0.000 0.480 403 N N 0.280 118.987 118.700 0.011 0.000 2.036 403 N HA -0.185 4.558 4.740 0.006 0.000 0.195 403 N C 2.042 177.378 175.510 -0.291 0.000 1.037 403 N CA 1.739 54.725 53.050 -0.107 0.000 0.855 403 N CB -0.976 37.457 38.487 -0.090 0.000 1.033 403 N HN 0.265 nan 8.380 nan 0.000 0.423 404 A N 0.645 123.217 122.820 -0.413 0.000 1.978 404 A HA -0.108 4.215 4.320 0.006 0.000 0.220 404 A C 2.464 179.722 177.584 -0.544 0.000 1.170 404 A CA 1.498 53.017 52.037 -0.863 0.000 0.636 404 A CB -0.692 17.938 19.000 -0.618 0.000 0.810 404 A HN 0.145 nan 8.150 nan 0.000 0.448 405 V N -0.029 119.713 119.914 -0.286 0.000 2.358 405 V HA -0.234 3.889 4.120 0.006 0.000 0.246 405 V C 2.309 178.343 176.094 -0.099 0.000 1.047 405 V CA 2.033 64.246 62.300 -0.146 0.000 1.035 405 V CB -0.909 30.764 31.823 -0.250 0.000 0.658 405 V HN 0.605 nan 8.190 nan 0.000 0.452 406 E N 0.046 120.172 120.200 -0.124 0.000 2.153 406 E HA -0.263 4.090 4.350 0.006 0.000 0.194 406 E C 2.185 178.750 176.600 -0.059 0.000 0.988 406 E CA 1.157 57.507 56.400 -0.083 0.000 0.811 406 E CB -0.133 29.518 29.700 -0.081 0.000 0.746 406 E HN 0.641 nan 8.360 nan 0.000 0.466 407 Q N -0.658 119.077 119.800 -0.108 0.000 2.472 407 Q HA 0.016 4.360 4.340 0.006 0.000 0.208 407 Q C 0.783 176.883 176.000 0.167 0.000 0.958 407 Q CA 0.537 56.342 55.803 0.004 0.000 0.932 407 Q CB 0.546 29.272 28.738 -0.020 0.000 1.007 407 Q HN 0.403 nan 8.270 nan 0.000 0.508 408 G N -0.170 108.705 108.800 0.125 0.000 2.149 408 G HA2 -0.237 3.726 3.960 0.006 0.000 0.235 408 G HA3 -0.237 3.726 3.960 0.006 0.000 0.235 408 G C 0.185 175.241 174.900 0.261 0.000 1.018 408 G CA 0.019 45.220 45.100 0.168 0.000 0.728 408 G HN 0.326 nan 8.290 nan 0.000 0.508 409 F N -0.435 119.431 119.950 -0.139 0.000 2.451 409 F HA 0.310 4.840 4.527 0.006 0.000 0.299 409 F C 1.400 176.957 175.800 -0.404 0.000 1.101 409 F CA -0.137 57.645 58.000 -0.363 0.000 1.436 409 F CB -0.467 38.182 39.000 -0.586 0.000 1.074 409 F HN 0.230 nan 8.300 nan 0.000 0.553 410 F N -1.889 118.206 119.950 0.241 0.000 2.470 410 F HA 0.469 4.999 4.527 0.006 0.000 0.329 410 F C 0.984 176.828 175.800 0.073 0.000 1.072 410 F CA -1.293 56.803 58.000 0.159 0.000 0.989 410 F CB 1.235 40.272 39.000 0.061 0.000 1.193 410 F HN -0.401 nan 8.300 nan 0.000 0.481 411 V N -0.027 120.047 119.914 0.266 0.000 4.591 411 V HA -0.284 3.840 4.120 0.006 0.000 0.261 411 V C -0.125 176.035 176.094 0.109 0.000 0.425 411 V CA 0.990 63.388 62.300 0.163 0.000 0.826 411 V CB -2.368 29.518 31.823 0.105 0.000 0.812 411 V HN 0.965 nan 8.190 nan 0.000 1.340 412 D N 0.842 121.306 120.400 0.105 0.000 2.313 412 D HA 0.369 5.012 4.640 0.006 0.000 0.247 412 D C 1.259 177.583 176.300 0.039 0.000 1.094 412 D CA 0.450 54.483 54.000 0.055 0.000 0.925 412 D CB 1.899 42.715 40.800 0.026 0.000 1.188 412 D HN 0.502 nan 8.370 nan 0.000 0.430 413 S N 1.107 116.812 115.700 0.008 0.000 2.605 413 S HA 0.264 4.737 4.470 0.006 0.000 0.217 413 S C 0.914 175.497 174.600 -0.029 0.000 0.958 413 S CA -0.536 57.649 58.200 -0.024 0.000 0.919 413 S CB 0.268 63.448 63.200 -0.033 0.000 0.780 413 S HN 0.447 nan 8.310 nan 0.000 0.507 414 G N 0.442 109.245 108.800 0.006 0.000 2.502 414 G HA2 0.442 4.406 3.960 0.006 0.000 0.305 414 G HA3 0.442 4.406 3.960 0.006 0.000 0.305 414 G C -1.297 173.676 174.900 0.122 0.000 1.190 414 G CA -0.733 44.385 45.100 0.030 0.000 0.933 414 G HN 0.304 nan 8.290 nan 0.000 0.503 415 Y N 1.565 121.848 120.300 -0.029 0.000 2.804 415 Y HA 0.333 4.887 4.550 0.006 0.000 0.330 415 Y C 0.032 175.947 175.900 0.024 0.000 1.092 415 Y CA -2.270 55.839 58.100 0.015 0.000 1.315 415 Y CB -0.693 37.775 38.460 0.014 0.000 1.188 415 Y HN 0.479 nan 8.280 nan 0.000 0.512 416 Y N 8.133 128.397 120.300 -0.061 0.000 3.059 416 Y HA -0.031 4.522 4.550 0.006 0.000 0.343 416 Y C -1.265 174.459 175.900 -0.294 0.000 1.273 416 Y CA -0.583 57.398 58.100 -0.199 0.000 1.572 416 Y CB 0.813 39.180 38.460 -0.155 0.000 1.228 416 Y HN 0.508 nan 8.280 nan 0.000 0.610 417 P HA -0.054 nan 4.420 nan 0.000 0.255 417 P C -0.492 176.343 177.300 -0.774 0.000 1.301 417 P CA 0.297 62.396 63.100 -1.667 0.000 0.817 417 P CB -0.075 30.885 31.700 -1.234 0.000 1.259 418 E N 1.644 121.589 120.200 -0.425 0.000 2.376 418 E HA 0.068 4.421 4.350 0.006 0.000 0.266 418 E C -0.407 176.073 176.600 -0.201 0.000 1.009 418 E CA -0.390 55.868 56.400 -0.237 0.000 0.902 418 E CB 0.568 30.206 29.700 -0.102 0.000 0.972 418 E HN -0.016 nan 8.360 nan 0.000 0.439 419 R N 4.249 124.638 120.500 -0.184 0.000 2.451 419 R HA 0.225 4.568 4.340 0.006 0.000 0.307 419 R C -0.377 175.863 176.300 -0.100 0.000 0.965 419 R CA -0.586 55.422 56.100 -0.154 0.000 0.865 419 R CB 0.671 30.836 30.300 -0.225 0.000 1.174 419 R HN 0.533 nan 8.270 nan 0.000 0.455 420 N N 2.587 121.248 118.700 -0.065 0.000 2.398 420 N HA 0.067 4.811 4.740 0.006 0.000 0.188 420 N C 0.680 176.168 175.510 -0.035 0.000 1.122 420 N CA 0.899 53.923 53.050 -0.043 0.000 0.866 420 N CB 0.854 39.325 38.487 -0.027 0.000 0.970 420 N HN 0.952 nan 8.380 nan 0.000 0.462 421 G N 2.160 110.935 108.800 -0.043 0.000 2.258 421 G HA2 -0.282 3.681 3.960 0.006 0.000 0.274 421 G HA3 -0.282 3.681 3.960 0.006 0.000 0.274 421 G C -0.204 174.692 174.900 -0.007 0.000 1.021 421 G CA 0.770 45.854 45.100 -0.026 0.000 0.798 421 G HN 0.527 nan 8.290 nan 0.000 0.507 422 D N -0.227 120.171 120.400 -0.003 0.000 2.738 422 D HA 0.468 5.111 4.640 0.006 0.000 0.246 422 D C 1.210 177.522 176.300 0.020 0.000 1.270 422 D CA 0.023 54.027 54.000 0.007 0.000 0.833 422 D CB -0.012 40.790 40.800 0.003 0.000 1.040 422 D HN 0.549 nan 8.370 nan 0.000 0.487 423 G N 0.243 109.061 108.800 0.029 0.000 2.606 423 G HA2 0.356 4.320 3.960 0.006 0.000 0.252 423 G HA3 0.356 4.320 3.960 0.006 0.000 0.252 423 G C 0.102 175.028 174.900 0.043 0.000 1.206 423 G CA -0.669 44.462 45.100 0.053 0.000 0.861 423 G HN 0.253 nan 8.290 nan 0.000 0.561 424 I N 1.612 122.211 120.570 0.048 0.000 2.294 424 I HA 0.261 4.435 4.170 0.006 0.000 0.295 424 I C 0.850 176.976 176.117 0.015 0.000 1.098 424 I CA -0.581 60.727 61.300 0.012 0.000 1.277 424 I CB 0.012 37.990 38.000 -0.036 0.000 1.434 424 I HN 0.409 nan 8.210 nan 0.000 0.498 425 A N 8.479 131.302 122.820 0.005 0.000 2.274 425 A HA 0.690 5.013 4.320 0.006 0.000 0.309 425 A C 0.151 177.715 177.584 -0.032 0.000 1.226 425 A CA -0.696 51.339 52.037 -0.004 0.000 0.853 425 A CB 0.773 19.775 19.000 0.003 0.000 1.146 425 A HN 0.552 nan 8.150 nan 0.000 0.518 426 R N 1.926 122.395 120.500 -0.051 0.000 2.589 426 R HA 0.410 4.753 4.340 0.006 0.000 0.293 426 R C -1.102 175.151 176.300 -0.078 0.000 0.963 426 R CA -0.783 55.275 56.100 -0.069 0.000 0.905 426 R CB 1.482 31.730 30.300 -0.087 0.000 1.144 426 R HN 0.733 nan 8.270 nan 0.000 0.459 427 Q N 2.342 122.096 119.800 -0.076 0.000 2.323 427 Q HA 0.159 4.503 4.340 0.006 0.000 0.257 427 Q C 1.346 177.274 176.000 -0.120 0.000 1.022 427 Q CA 0.036 55.788 55.803 -0.085 0.000 0.919 427 Q CB 0.949 29.647 28.738 -0.067 0.000 1.220 427 Q HN 0.654 nan 8.270 nan 0.000 0.427 428 I N 2.684 123.162 120.570 -0.154 0.000 2.194 428 I HA -0.332 3.841 4.170 0.006 0.000 0.246 428 I C 1.188 177.174 176.117 -0.217 0.000 1.093 428 I CA 1.664 62.814 61.300 -0.249 0.000 1.355 428 I CB 0.160 37.989 38.000 -0.284 0.000 1.046 428 I HN 0.763 nan 8.210 nan 0.000 0.413 429 N N 0.637 119.248 118.700 -0.149 0.000 2.434 429 N HA 0.047 4.790 4.740 0.006 0.000 0.196 429 N C 0.502 175.954 175.510 -0.096 0.000 1.183 429 N CA 0.575 53.554 53.050 -0.118 0.000 0.849 429 N CB 0.168 38.601 38.487 -0.089 0.000 0.992 429 N HN 0.429 nan 8.380 nan 0.000 0.460 430 G N -1.318 107.423 108.800 -0.097 0.000 3.108 430 G HA2 0.646 4.609 3.960 0.006 0.000 0.268 430 G HA3 0.646 4.609 3.960 0.006 0.000 0.268 430 G C -0.124 174.736 174.900 -0.067 0.000 1.361 430 G CA -0.194 44.863 45.100 -0.072 0.000 1.047 430 G HN 0.461 nan 8.290 nan 0.000 0.540 431 G N -1.538 107.235 108.800 -0.046 0.000 2.712 431 G HA2 0.109 4.073 3.960 0.006 0.000 0.683 431 G HA3 0.109 4.073 3.960 0.006 0.000 0.683 431 G C -0.345 174.548 174.900 -0.013 0.000 1.320 431 G CA -0.494 44.587 45.100 -0.031 0.000 0.847 431 G HN 0.846 nan 8.290 nan 0.000 0.553 432 I N 1.870 122.449 120.570 0.016 0.000 2.683 432 I HA 0.338 4.512 4.170 0.006 0.000 0.286 432 I C 1.966 178.090 176.117 0.012 0.000 1.175 432 I CA 1.977 63.301 61.300 0.040 0.000 1.429 432 I CB -0.115 37.950 38.000 0.108 0.000 1.371 432 I HN 2.331 nan 8.210 nan 0.000 0.569 433 G N 4.767 113.572 108.800 0.010 0.000 2.195 433 G HA2 -0.183 3.780 3.960 0.006 0.000 0.246 433 G HA3 -0.183 3.780 3.960 0.006 0.000 0.246 433 G C 0.590 175.467 174.900 -0.039 0.000 0.984 433 G CA 0.094 45.191 45.100 -0.005 0.000 0.633 433 G HN 1.063 nan 8.290 nan 0.000 0.525 434 A N 0.131 122.924 122.820 -0.046 0.000 2.540 434 A HA 0.602 4.926 4.320 0.006 0.000 0.239 434 A C 1.997 179.533 177.584 -0.081 0.000 1.061 434 A CA 2.015 54.009 52.037 -0.072 0.000 0.758 434 A CB -0.169 18.791 19.000 -0.067 0.000 0.991 434 A HN 2.429 nan 8.150 nan 0.000 0.502 435 G N 1.278 110.005 108.800 -0.121 0.000 2.132 435 G HA2 -0.089 3.874 3.960 0.006 0.000 0.228 435 G HA3 -0.089 3.874 3.960 0.006 0.000 0.228 435 G C 0.470 175.222 174.900 -0.247 0.000 1.000 435 G CA 1.049 46.058 45.100 -0.152 0.000 0.693 435 G HN 2.327 nan 8.290 nan 0.000 0.515 436 T N -3.346 111.031 114.554 -0.296 0.000 3.460 436 T HA 0.535 4.889 4.350 0.006 0.000 0.304 436 T C 0.038 174.434 174.700 -0.508 0.000 0.991 436 T CA 0.330 62.199 62.100 -0.385 0.000 0.975 436 T CB 0.857 69.682 68.868 -0.071 0.000 1.196 436 T HN 0.714 nan 8.240 nan 0.000 0.490 437 V N 2.833 122.418 119.914 -0.548 0.000 2.333 437 V HA 0.564 4.688 4.120 0.006 0.000 0.274 437 V C -0.858 174.942 176.094 -0.489 0.000 1.028 437 V CA -0.703 61.381 62.300 -0.361 0.000 0.851 437 V CB -0.031 31.691 31.823 -0.168 0.000 1.000 437 V HN 0.478 nan 8.190 nan 0.000 0.456 438 F N 2.521 122.490 119.950 0.032 0.000 2.458 438 F HA 0.473 5.003 4.527 0.006 0.000 0.330 438 F C 0.591 176.398 175.800 0.011 0.000 1.082 438 F CA -0.813 57.203 58.000 0.027 0.000 0.995 438 F CB 1.204 40.229 39.000 0.043 0.000 1.170 438 F HN 0.455 nan 8.300 nan 0.000 0.478 439 E N 2.423 122.738 120.200 0.191 0.000 2.366 439 E HA 0.250 4.604 4.350 0.006 0.000 0.266 439 E C -0.558 176.079 176.600 0.061 0.000 1.051 439 E CA -0.663 55.788 56.400 0.084 0.000 0.884 439 E CB 0.767 30.501 29.700 0.057 0.000 1.006 439 E HN 0.562 nan 8.360 nan 0.000 0.417 440 R N 2.764 123.244 120.500 -0.034 0.000 2.340 440 R HA 0.135 4.479 4.340 0.006 0.000 0.300 440 R C -0.553 175.760 176.300 0.022 0.000 1.069 440 R CA -0.525 55.513 56.100 -0.103 0.000 0.984 440 R CB 0.652 30.780 30.300 -0.287 0.000 1.003 440 R HN 0.516 nan 8.270 nan 0.000 0.459 441 D N 1.380 121.869 120.400 0.147 0.000 2.354 441 D HA -0.059 4.585 4.640 0.006 0.000 0.247 441 D C 1.129 177.555 176.300 0.209 0.000 1.138 441 D CA -0.115 53.974 54.000 0.148 0.000 0.958 441 D CB 0.926 41.822 40.800 0.158 0.000 1.144 441 D HN 0.509 nan 8.370 nan 0.000 0.458 442 E N 0.913 121.188 120.200 0.126 0.000 2.265 442 E HA -0.180 4.174 4.350 0.006 0.000 0.196 442 E C -0.075 176.716 176.600 0.319 0.000 0.996 442 E CA 0.875 57.369 56.400 0.157 0.000 0.832 442 E CB 0.166 29.900 29.700 0.056 0.000 0.756 442 E HN 0.453 nan 8.360 nan 0.000 0.491 443 D N -0.768 119.771 120.400 0.231 0.000 2.427 443 D HA -0.057 4.586 4.640 0.006 0.000 0.224 443 D C 0.171 176.586 176.300 0.191 0.000 1.157 443 D CA -0.605 53.495 54.000 0.167 0.000 0.828 443 D CB -1.260 39.588 40.800 0.080 0.000 0.974 443 D HN 0.113 nan 8.370 nan 0.000 0.498 444 Y N 1.258 121.672 120.300 0.189 0.000 2.397 444 Y HA 0.393 4.946 4.550 0.006 0.000 0.335 444 Y C -0.033 175.900 175.900 0.056 0.000 1.213 444 Y CA -0.277 57.911 58.100 0.148 0.000 1.391 444 Y CB 0.694 39.299 38.460 0.241 0.000 1.293 444 Y HN -0.037 nan 8.280 nan 0.000 0.557 445 M N 4.982 124.034 119.600 -0.913 0.000 2.389 445 M HA 0.536 5.019 4.480 0.006 0.000 0.291 445 M C -2.224 173.681 176.300 -0.657 0.000 1.128 445 M CA -0.429 54.535 55.300 -0.561 0.000 0.942 445 M CB 1.768 34.258 32.600 -0.182 0.000 1.783 445 M HN 0.787 nan 8.290 nan 0.000 0.501 446 A N 6.110 128.625 122.820 -0.508 0.000 2.357 446 A HA 0.818 5.141 4.320 0.006 0.000 0.295 446 A C -2.582 174.814 177.584 -0.314 0.000 1.121 446 A CA -1.099 50.659 52.037 -0.465 0.000 0.742 446 A CB 1.034 19.582 19.000 -0.753 0.000 1.181 446 A HN 0.532 nan 8.150 nan 0.000 0.454 447 P HA 0.195 nan 4.420 nan 0.000 0.235 447 P C -0.122 177.096 177.300 -0.137 0.000 1.725 447 P CA 0.350 63.345 63.100 -0.175 0.000 0.894 447 P CB -0.545 31.052 31.700 -0.173 0.000 1.704 448 V N -4.069 115.762 119.914 -0.138 0.000 3.167 448 V HA 0.670 4.793 4.120 0.006 0.000 0.310 448 V C -0.017 176.033 176.094 -0.073 0.000 1.207 448 V CA -0.873 61.365 62.300 -0.103 0.000 1.059 448 V CB 1.372 33.136 31.823 -0.098 0.000 1.079 448 V HN -0.101 nan 8.190 nan 0.000 0.446 449 T N 0.679 115.172 114.554 -0.102 0.000 2.902 449 T HA 0.663 5.017 4.350 0.006 0.000 0.280 449 T C 0.565 175.184 174.700 -0.135 0.000 0.992 449 T CA 0.465 62.498 62.100 -0.112 0.000 1.015 449 T CB 1.077 69.814 68.868 -0.218 0.000 1.044 449 T HN 2.440 nan 8.240 nan 0.000 0.520 450 A N 1.405 124.180 122.820 -0.074 0.000 2.416 450 A HA -0.178 4.146 4.320 0.006 0.000 0.293 450 A C -0.068 177.569 177.584 0.087 0.000 1.452 450 A CA 0.803 52.830 52.037 -0.016 0.000 0.738 450 A CB -2.370 16.518 19.000 -0.187 0.000 1.123 450 A HN 1.001 nan 8.150 nan 0.000 0.389 451 H N -0.936 118.159 119.070 0.042 0.000 2.547 451 H HA 0.604 5.164 4.556 0.006 0.000 0.342 451 H C 0.387 175.803 175.328 0.146 0.000 1.048 451 H CA -0.265 55.838 56.048 0.091 0.000 1.204 451 H CB 0.490 30.289 29.762 0.063 0.000 1.493 451 H HN 0.437 nan 8.280 nan 0.000 0.511 452 F N 3.386 123.143 119.950 -0.321 0.000 2.118 452 F HA 0.242 4.773 4.527 0.006 0.000 0.293 452 F C 1.251 177.007 175.800 -0.072 0.000 1.102 452 F CA 1.307 59.216 58.000 -0.151 0.000 1.247 452 F CB -0.311 38.606 39.000 -0.139 0.000 1.017 452 F HN 0.596 nan 8.300 nan 0.000 0.475 453 G N -1.621 107.040 108.800 -0.231 0.000 2.525 453 G HA2 0.091 4.054 3.960 0.006 0.000 0.287 453 G HA3 0.091 4.054 3.960 0.006 0.000 0.287 453 G C -1.431 173.514 174.900 0.075 0.000 1.350 453 G CA -0.507 44.496 45.100 -0.161 0.000 1.039 453 G HN 0.294 nan 8.290 nan 0.000 0.513 454 Y N 0.826 121.118 120.300 -0.014 0.000 2.881 454 Y HA 0.059 4.612 4.550 0.006 0.000 0.335 454 Y C 0.115 176.169 175.900 0.256 0.000 1.263 454 Y CA 0.495 58.634 58.100 0.065 0.000 1.572 454 Y CB 0.264 38.737 38.460 0.022 0.000 1.237 454 Y HN 0.374 nan 8.280 nan 0.000 0.568 455 N N 5.513 123.995 118.700 -0.363 0.000 2.640 455 N HA 0.063 4.806 4.740 0.006 0.000 0.262 455 N C -1.752 173.504 175.510 -0.423 0.000 1.174 455 N CA -0.620 52.304 53.050 -0.210 0.000 0.791 455 N CB 0.110 38.581 38.487 -0.028 0.000 1.279 455 N HN 0.655 nan 8.380 nan 0.000 0.535 456 N N 2.802 121.199 118.700 -0.505 0.000 2.434 456 N HA 0.055 4.798 4.740 0.006 0.000 0.273 456 N C 0.569 176.020 175.510 -0.098 0.000 1.210 456 N CA 0.142 53.012 53.050 -0.301 0.000 0.992 456 N CB 0.427 38.850 38.487 -0.106 0.000 1.355 456 N HN 0.258 nan 8.380 nan 0.000 0.495 457 V N 3.850 123.721 119.914 -0.072 0.000 2.795 457 V HA -0.049 4.074 4.120 0.006 0.000 0.243 457 V C 1.904 178.029 176.094 0.051 0.000 1.069 457 V CA 0.657 62.970 62.300 0.020 0.000 1.089 457 V CB -0.326 31.490 31.823 -0.011 0.000 0.756 457 V HN 0.577 nan 8.190 nan 0.000 0.471 458 K N 1.597 121.998 120.400 0.001 0.000 2.148 458 K HA -0.352 3.971 4.320 0.006 0.000 0.213 458 K C 1.861 178.449 176.600 -0.021 0.000 1.050 458 K CA 2.402 58.689 56.287 0.000 0.000 0.932 458 K CB -0.468 32.028 32.500 -0.007 0.000 0.717 458 K HN 0.752 nan 8.250 nan 0.000 0.462 459 Q N -0.673 119.084 119.800 -0.073 0.000 2.594 459 Q HA -0.126 4.217 4.340 0.006 0.000 0.219 459 Q C 0.439 176.175 176.000 -0.441 0.000 0.980 459 Q CA 1.271 56.939 55.803 -0.226 0.000 0.962 459 Q CB -0.074 28.502 28.738 -0.269 0.000 0.987 459 Q HN 0.450 nan 8.270 nan 0.000 0.553 460 Y N -1.081 119.203 120.300 -0.027 0.000 3.199 460 Y HA 0.286 4.839 4.550 0.006 0.000 0.211 460 Y C -0.138 175.749 175.900 -0.022 0.000 0.959 460 Y CA -0.457 57.627 58.100 -0.027 0.000 1.528 460 Y CB 0.760 39.198 38.460 -0.037 0.000 1.487 460 Y HN 0.132 nan 8.280 nan 0.000 0.403 461 D N -0.050 120.441 120.400 0.152 0.000 2.602 461 D HA 0.224 4.868 4.640 0.006 0.000 0.245 461 D C -0.310 176.017 176.300 0.045 0.000 1.325 461 D CA -0.116 53.927 54.000 0.072 0.000 0.952 461 D CB 1.518 42.352 40.800 0.056 0.000 1.317 461 D HN 0.082 nan 8.370 nan 0.000 0.577 462 E N 1.965 122.181 120.200 0.028 0.000 2.204 462 E HA 0.008 4.362 4.350 0.006 0.000 0.194 462 E C 1.932 178.541 176.600 0.014 0.000 0.989 462 E CA 1.074 57.484 56.400 0.017 0.000 0.824 462 E CB -0.112 29.594 29.700 0.011 0.000 0.756 462 E HN 0.513 nan 8.360 nan 0.000 0.477 463 A N 0.396 123.226 122.820 0.016 0.000 2.024 463 A HA -0.135 4.188 4.320 0.006 0.000 0.220 463 A C 1.612 179.203 177.584 0.012 0.000 1.164 463 A CA 1.043 53.088 52.037 0.013 0.000 0.643 463 A CB -0.196 18.812 19.000 0.012 0.000 0.806 463 A HN 0.187 nan 8.150 nan 0.000 0.451 464 L N -0.776 120.454 121.223 0.013 0.000 2.607 464 L HA 0.138 4.481 4.340 0.006 0.000 0.228 464 L C 2.042 178.915 176.870 0.005 0.000 1.123 464 L CA 0.396 55.241 54.840 0.008 0.000 0.890 464 L CB -0.272 41.790 42.059 0.004 0.000 1.103 464 L HN 0.147 nan 8.230 nan 0.000 0.468 465 V N 0.099 120.016 119.914 0.005 0.000 2.277 465 V HA -0.368 3.756 4.120 0.006 0.000 0.253 465 V C 2.553 178.651 176.094 0.005 0.000 1.067 465 V CA 2.334 64.634 62.300 -0.001 0.000 1.047 465 V CB -0.557 31.265 31.823 -0.001 0.000 0.649 465 V HN 0.740 nan 8.190 nan 0.000 0.447 466 S N -1.178 114.531 115.700 0.015 0.000 2.453 466 S HA -0.036 4.437 4.470 0.006 0.000 0.231 466 S C 0.807 175.428 174.600 0.035 0.000 1.005 466 S CA 0.712 58.928 58.200 0.026 0.000 0.949 466 S CB -0.013 63.204 63.200 0.029 0.000 0.774 466 S HN 0.633 nan 8.310 nan 0.000 0.510 467 E N 1.312 121.526 120.200 0.025 0.000 2.914 467 E HA 0.299 4.652 4.350 0.006 0.000 0.246 467 E C -2.555 174.046 176.600 0.002 0.000 1.146 467 E CA -1.829 54.586 56.400 0.026 0.000 0.803 467 E CB 1.622 31.344 29.700 0.036 0.000 1.409 467 E HN 0.246 nan 8.360 nan 0.000 0.392 468 P HA -0.086 nan 4.420 nan 0.000 0.229 468 P C 1.281 178.547 177.300 -0.056 0.000 1.160 468 P CA 0.719 63.794 63.100 -0.042 0.000 0.777 468 P CB 0.271 31.934 31.700 -0.062 0.000 0.814 469 S N -0.451 115.226 115.700 -0.039 0.000 2.500 469 S HA -0.104 4.370 4.470 0.006 0.000 0.239 469 S C 1.669 176.247 174.600 -0.037 0.000 0.989 469 S CA 0.923 59.098 58.200 -0.043 0.000 0.951 469 S CB -0.764 62.421 63.200 -0.025 0.000 0.759 469 S HN 0.210 nan 8.310 nan 0.000 0.523 470 K N 0.313 120.695 120.400 -0.029 0.000 2.296 470 K HA 0.207 4.531 4.320 0.006 0.000 0.200 470 K C 1.326 177.897 176.600 -0.047 0.000 1.048 470 K CA 0.216 56.487 56.287 -0.026 0.000 0.966 470 K CB -0.270 32.223 32.500 -0.012 0.000 0.754 470 K HN 0.186 nan 8.250 nan 0.000 0.466 471 L N 0.801 121.981 121.223 -0.071 0.000 2.263 471 L HA -0.144 4.200 4.340 0.006 0.000 0.216 471 L C 1.649 178.452 176.870 -0.112 0.000 1.111 471 L CA 1.642 56.415 54.840 -0.111 0.000 0.773 471 L CB -0.254 41.704 42.059 -0.168 0.000 0.906 471 L HN 0.290 nan 8.230 nan 0.000 0.439 472 I N -5.759 114.759 120.570 -0.087 0.000 3.820 472 I HA 0.259 4.433 4.170 0.006 0.000 0.323 472 I C -0.791 175.295 176.117 -0.051 0.000 1.482 472 I CA -0.341 60.912 61.300 -0.078 0.000 1.048 472 I CB 0.350 38.297 38.000 -0.089 0.000 1.436 472 I HN -0.092 nan 8.210 nan 0.000 0.575 473 D N 2.217 122.593 120.400 -0.040 0.000 2.699 473 D HA -0.110 4.534 4.640 0.006 0.000 0.239 473 D C 0.681 176.971 176.300 -0.016 0.000 1.136 473 D CA 1.730 55.716 54.000 -0.023 0.000 0.668 473 D CB -1.404 39.383 40.800 -0.021 0.000 1.060 473 D HN 1.162 nan 8.370 nan 0.000 0.429 474 G N -1.426 107.364 108.800 -0.017 0.000 2.712 474 G HA2 0.088 4.051 3.960 0.006 0.000 0.686 474 G HA3 0.088 4.051 3.960 0.006 0.000 0.686 474 G C 0.376 175.263 174.900 -0.023 0.000 1.181 474 G CA -0.329 44.767 45.100 -0.008 0.000 0.762 474 G HN 1.066 nan 8.290 nan 0.000 0.641 475 C N 0.109 119.393 119.300 -0.027 0.000 2.423 475 C HA 0.892 5.355 4.460 0.006 0.000 0.378 475 C C 2.306 177.277 174.990 -0.032 0.000 1.244 475 C CA 0.564 59.555 59.018 -0.046 0.000 1.978 475 C CB 0.962 28.654 27.740 -0.081 0.000 2.252 475 C HN 1.969 nan 8.230 nan 0.000 0.526 476 T N -0.555 113.978 114.554 -0.036 0.000 2.918 476 T HA -0.148 4.205 4.350 0.006 0.000 0.271 476 T C 1.377 176.071 174.700 -0.011 0.000 1.104 476 T CA 1.431 63.524 62.100 -0.012 0.000 1.114 476 T CB -0.674 68.190 68.868 -0.007 0.000 0.855 476 T HN 0.675 nan 8.240 nan 0.000 0.518 477 L N -0.126 121.049 121.223 -0.081 0.000 2.156 477 L HA 0.063 4.407 4.340 0.006 0.000 0.208 477 L C 2.654 179.634 176.870 0.184 0.000 1.095 477 L CA 1.444 56.216 54.840 -0.113 0.000 0.770 477 L CB -0.269 41.398 42.059 -0.653 0.000 0.914 477 L HN 0.328 nan 8.230 nan 0.000 0.439 478 E N -1.321 118.957 120.200 0.130 0.000 2.340 478 E HA 0.045 4.399 4.350 0.006 0.000 0.198 478 E C 0.214 176.869 176.600 0.091 0.000 0.961 478 E CA 0.074 56.569 56.400 0.158 0.000 0.905 478 E CB 0.784 30.565 29.700 0.135 0.000 0.884 478 E HN 0.053 nan 8.360 nan 0.000 0.491 479 V N 2.939 122.887 119.914 0.057 0.000 2.204 479 V HA 0.150 4.274 4.120 0.006 0.000 0.264 479 V C -2.051 174.063 176.094 0.033 0.000 1.106 479 V CA -1.097 61.224 62.300 0.036 0.000 0.947 479 V CB 0.857 32.691 31.823 0.019 0.000 1.164 479 V HN 0.033 nan 8.190 nan 0.000 0.461 480 P HA -0.149 nan 4.420 nan 0.000 0.220 480 P C 1.214 178.530 177.300 0.027 0.000 1.144 480 P CA 1.070 64.194 63.100 0.039 0.000 0.800 480 P CB 0.366 32.085 31.700 0.032 0.000 0.772 481 E N -0.447 119.764 120.200 0.018 0.000 2.268 481 E HA -0.122 4.231 4.350 0.006 0.000 0.195 481 E C 1.649 178.262 176.600 0.021 0.000 0.995 481 E CA 0.888 57.297 56.400 0.015 0.000 0.836 481 E CB -0.600 29.105 29.700 0.008 0.000 0.763 481 E HN 0.322 nan 8.360 nan 0.000 0.491 482 K N 0.292 120.705 120.400 0.021 0.000 2.288 482 K HA 0.045 4.369 4.320 0.006 0.000 0.201 482 K C 0.331 176.949 176.600 0.031 0.000 1.048 482 K CA 0.169 56.468 56.287 0.019 0.000 0.956 482 K CB -0.051 32.453 32.500 0.008 0.000 0.746 482 K HN 0.184 nan 8.250 nan 0.000 0.461 483 I N 2.407 123.003 120.570 0.043 0.000 2.741 483 I HA -0.103 4.070 4.170 0.006 0.000 0.288 483 I C 0.048 176.217 176.117 0.086 0.000 1.192 483 I CA -0.012 61.327 61.300 0.065 0.000 1.426 483 I CB 0.407 38.458 38.000 0.085 0.000 1.367 483 I HN -0.230 nan 8.210 nan 0.000 0.563 484 V N 8.036 127.999 119.914 0.083 0.000 2.385 484 V HA 0.065 4.189 4.120 0.006 0.000 0.269 484 V C -0.314 175.865 176.094 0.141 0.000 1.043 484 V CA -0.434 61.923 62.300 0.095 0.000 0.906 484 V CB 0.669 32.523 31.823 0.052 0.000 0.995 484 V HN 0.436 nan 8.190 nan 0.000 0.467 485 Y N 6.455 126.773 120.300 0.030 0.000 2.353 485 Y HA 0.578 5.131 4.550 0.005 0.000 0.340 485 Y C -0.060 175.858 175.900 0.030 0.000 0.972 485 Y CA -0.810 57.312 58.100 0.035 0.000 1.157 485 Y CB 0.751 39.237 38.460 0.043 0.000 1.157 485 Y HN 0.492 nan 8.280 nan 0.000 0.495 486 I N 6.277 126.579 120.570 -0.448 0.000 2.437 486 I HA 0.156 4.330 4.170 0.006 0.000 0.298 486 I C 0.012 175.709 176.117 -0.700 0.000 0.984 486 I CA -0.255 60.798 61.300 -0.412 0.000 1.214 486 I CB 1.939 39.817 38.000 -0.204 0.000 1.365 486 I HN 0.723 nan 8.210 nan 0.000 0.469 487 D N 3.002 123.151 120.400 -0.418 0.000 2.735 487 D HA 0.065 4.708 4.640 0.006 0.000 0.267 487 D C 0.087 176.311 176.300 -0.127 0.000 1.081 487 D CA 0.915 54.732 54.000 -0.305 0.000 0.980 487 D CB 0.761 41.521 40.800 -0.068 0.000 1.129 487 D HN 0.401 nan 8.370 nan 0.000 0.459 488 E N -0.162 119.995 120.200 -0.072 0.000 2.343 488 E HA 0.335 4.689 4.350 0.006 0.000 0.270 488 E C 0.120 176.698 176.600 -0.037 0.000 0.895 488 E CA -0.440 55.939 56.400 -0.034 0.000 0.767 488 E CB 2.181 31.880 29.700 -0.003 0.000 1.248 488 E HN 0.114 nan 8.360 nan 0.000 0.440 489 L N -0.370 120.837 121.223 -0.027 0.000 2.588 489 L HA 0.222 4.565 4.340 0.006 0.000 0.194 489 L C 0.781 177.642 176.870 -0.015 0.000 1.070 489 L CA -0.013 54.812 54.840 -0.025 0.000 0.852 489 L CB 0.399 42.440 42.059 -0.030 0.000 1.199 489 L HN 0.428 nan 8.230 nan 0.000 0.486 490 D N 0.445 120.839 120.400 -0.010 0.000 2.302 490 D HA -0.002 4.642 4.640 0.006 0.000 0.248 490 D C 0.204 176.503 176.300 -0.001 0.000 1.094 490 D CA 0.239 54.236 54.000 -0.006 0.000 0.897 490 D CB 2.386 43.184 40.800 -0.003 0.000 1.200 490 D HN -0.035 nan 8.370 nan 0.000 0.429 491 E N 1.789 121.989 120.200 -0.002 0.000 2.400 491 E HA 0.019 4.372 4.350 0.006 0.000 0.195 491 E C 0.680 177.281 176.600 0.001 0.000 1.012 491 E CA 0.789 57.189 56.400 0.000 0.000 0.875 491 E CB 0.213 29.912 29.700 -0.000 0.000 0.859 491 E HN 0.506 nan 8.360 nan 0.000 0.498 492 N N -0.713 117.987 118.700 -0.000 0.000 2.332 492 N HA 0.014 4.758 4.740 0.006 0.000 0.190 492 N C -0.317 175.192 175.510 -0.002 0.000 1.117 492 N CA 0.028 53.077 53.050 -0.002 0.000 0.883 492 N CB 0.664 39.150 38.487 -0.002 0.000 1.089 492 N HN -0.129 nan 8.380 nan 0.000 0.480 493 D N 1.220 121.621 120.400 0.002 0.000 2.499 493 D HA 0.186 4.829 4.640 0.006 0.000 0.225 493 D C -1.170 175.140 176.300 0.016 0.000 1.124 493 D CA -0.198 53.806 54.000 0.006 0.000 0.938 493 D CB -0.328 40.478 40.800 0.011 0.000 1.014 493 D HN 0.359 nan 8.370 nan 0.000 0.517 494 N N -0.472 118.234 118.700 0.011 0.000 3.046 494 N HA 0.058 4.801 4.740 0.006 0.000 0.243 494 N C 0.055 175.572 175.510 0.011 0.000 1.452 494 N CA -0.876 52.193 53.050 0.031 0.000 0.882 494 N CB 0.912 39.420 38.487 0.035 0.000 1.425 494 N HN -0.143 nan 8.380 nan 0.000 0.517 495 V N 0.469 120.407 119.914 0.040 0.000 2.343 495 V HA -0.197 3.926 4.120 0.006 0.000 0.247 495 V C 1.254 177.319 176.094 -0.047 0.000 1.051 495 V CA 1.937 64.219 62.300 -0.029 0.000 1.036 495 V CB -0.949 30.869 31.823 -0.009 0.000 0.654 495 V HN 0.674 nan 8.190 nan 0.000 0.451 496 N N 0.208 118.904 118.700 -0.007 0.000 2.104 496 N HA -0.143 4.600 4.740 0.006 0.000 0.190 496 N C 1.755 177.252 175.510 -0.023 0.000 1.024 496 N CA 1.870 54.914 53.050 -0.011 0.000 0.853 496 N CB -0.643 37.850 38.487 0.010 0.000 1.008 496 N HN 0.462 nan 8.380 nan 0.000 0.424 497 V N 1.761 121.662 119.914 -0.022 0.000 2.244 497 V HA -0.167 3.957 4.120 0.006 0.000 0.244 497 V C 2.426 178.492 176.094 -0.047 0.000 1.042 497 V CA 1.402 63.687 62.300 -0.026 0.000 1.006 497 V CB -0.496 31.314 31.823 -0.020 0.000 0.641 497 V HN 0.233 nan 8.190 nan 0.000 0.446 498 R N -0.861 119.595 120.500 -0.072 0.000 2.154 498 R HA -0.212 4.132 4.340 0.006 0.000 0.248 498 R C 2.265 178.499 176.300 -0.110 0.000 1.155 498 R CA 1.726 57.756 56.100 -0.116 0.000 0.979 498 R CB -0.278 29.919 30.300 -0.172 0.000 0.869 498 R HN 0.457 nan 8.270 nan 0.000 0.452 499 M N -0.440 119.105 119.600 -0.091 0.000 2.216 499 M HA -0.088 4.395 4.480 0.006 0.000 0.264 499 M C 2.061 178.338 176.300 -0.038 0.000 1.080 499 M CA 1.030 56.283 55.300 -0.077 0.000 1.153 499 M CB -0.398 32.155 32.600 -0.079 0.000 1.356 499 M HN 0.068 nan 8.290 nan 0.000 0.432 500 E N 0.730 120.914 120.200 -0.027 0.000 2.187 500 E HA -0.239 4.115 4.350 0.006 0.000 0.199 500 E C 1.698 178.298 176.600 -0.000 0.000 1.004 500 E CA 1.146 57.540 56.400 -0.010 0.000 0.813 500 E CB -0.086 29.610 29.700 -0.008 0.000 0.736 500 E HN 0.371 nan 8.360 nan 0.000 0.468 501 E N -0.454 119.738 120.200 -0.012 0.000 2.265 501 E HA -0.114 4.240 4.350 0.006 0.000 0.196 501 E C 0.932 177.551 176.600 0.032 0.000 0.996 501 E CA 1.314 57.713 56.400 -0.002 0.000 0.832 501 E CB 0.141 29.822 29.700 -0.032 0.000 0.756 501 E HN 0.255 nan 8.360 nan 0.000 0.491 502 T N -2.383 112.193 114.554 0.036 0.000 3.252 502 T HA 0.237 4.590 4.350 0.006 0.000 0.286 502 T C 1.468 176.264 174.700 0.159 0.000 1.013 502 T CA 0.399 62.567 62.100 0.113 0.000 0.914 502 T CB 0.700 69.588 68.868 0.034 0.000 1.131 502 T HN 0.080 nan 8.240 nan 0.000 0.529 503 K N 1.785 122.236 120.400 0.085 0.000 2.059 503 K HA -0.168 4.155 4.320 0.006 0.000 0.212 503 K C 2.403 179.026 176.600 0.037 0.000 1.050 503 K CA 2.419 58.735 56.287 0.050 0.000 0.927 503 K CB -1.949 30.562 32.500 0.018 0.000 0.714 503 K HN 0.720 nan 8.250 nan 0.000 0.447 504 E N -0.278 119.937 120.200 0.025 0.000 2.208 504 E HA -0.153 4.201 4.350 0.006 0.000 0.202 504 E C 1.497 177.883 176.600 -0.356 0.000 1.014 504 E CA 1.620 57.914 56.400 -0.177 0.000 0.819 504 E CB -0.802 28.755 29.700 -0.239 0.000 0.735 504 E HN 0.820 nan 8.360 nan 0.000 0.469 505 F N -0.115 119.829 119.950 -0.011 0.000 2.837 505 F HA 0.420 4.950 4.527 0.005 0.000 0.298 505 F C 0.843 176.634 175.800 -0.015 0.000 1.161 505 F CA -0.139 57.855 58.000 -0.010 0.000 1.353 505 F CB 0.535 39.530 39.000 -0.009 0.000 0.951 505 F HN 0.008 nan 8.300 nan 0.000 0.508 510 M N 2.019 121.544 119.600 -0.125 0.000 2.114 510 M HA 0.589 5.072 4.480 0.006 0.000 0.293 510 M C 0.138 176.468 176.300 0.050 0.000 1.201 510 M CA -0.293 54.944 55.300 -0.104 0.000 1.107 510 M CB 0.384 32.785 32.600 -0.331 0.000 1.405 510 M HN 0.568 nan 8.290 nan 0.000 0.486 511 I N 0.301 120.975 120.570 0.173 0.000 2.800 511 I HA 0.411 4.585 4.170 0.006 0.000 0.294 511 I C -1.632 174.617 176.117 0.221 0.000 1.538 511 I CA -0.477 60.967 61.300 0.240 0.000 1.010 511 I CB 1.982 40.053 38.000 0.120 0.000 1.381 511 I HN 0.782 nan 8.210 nan 0.000 0.462 512 K N 4.924 125.409 120.400 0.142 0.000 2.579 512 K HA 0.658 4.982 4.320 0.006 0.000 0.284 512 K C -3.110 173.462 176.600 -0.047 0.000 0.990 512 K CA -1.562 54.744 56.287 0.032 0.000 0.880 512 K CB 1.189 33.693 32.500 0.008 0.000 1.488 512 K HN 0.149 nan 8.250 nan 0.000 0.425 513 P HA -0.029 nan 4.420 nan 0.000 0.270 513 P C -1.212 176.000 177.300 -0.147 0.000 1.221 513 P CA 0.193 63.228 63.100 -0.108 0.000 0.788 513 P CB 0.304 31.924 31.700 -0.134 0.000 0.904 514 E N -1.393 118.710 120.200 -0.161 0.000 2.423 514 E HA 0.428 4.781 4.350 0.006 0.000 0.280 514 E C -0.606 175.804 176.600 -0.317 0.000 1.030 514 E CA -0.950 55.328 56.400 -0.204 0.000 0.812 514 E CB 1.005 30.653 29.700 -0.086 0.000 1.313 514 E HN 0.105 nan 8.360 nan 0.000 0.456 515 V N -2.187 117.405 119.914 -0.537 0.000 3.562 515 V HA 0.322 4.445 4.120 0.006 0.000 0.270 515 V C 0.985 176.503 176.094 -0.960 0.000 1.418 515 V CA 1.240 63.023 62.300 -0.863 0.000 1.033 515 V CB -0.018 30.728 31.823 -1.795 0.000 0.820 515 V HN 0.936 nan 8.190 nan 0.000 0.441 516 E N -2.136 117.652 120.200 -0.686 0.000 2.527 516 E HA 0.076 4.430 4.350 0.006 0.000 0.211 516 E C -0.244 176.415 176.600 0.099 0.000 1.031 516 E CA -0.340 55.740 56.400 -0.533 0.000 1.654 516 E CB 0.383 29.797 29.700 -0.477 0.000 2.873 516 E HN 0.426 nan 8.360 nan 0.000 1.109 517 W N 2.646 123.871 121.300 -0.126 0.000 2.639 517 W HA 0.484 5.146 4.660 0.004 0.000 0.347 517 W C -0.009 176.455 176.519 -0.092 0.000 1.067 517 W CA -1.497 55.805 57.345 -0.072 0.000 1.218 517 W CB 1.156 30.560 29.460 -0.092 0.000 1.393 517 W HN 0.075 nan 8.180 nan 0.000 0.557 518 Q N 1.684 121.560 119.800 0.127 0.000 2.339 518 Q HA 0.242 4.585 4.340 0.006 0.000 0.308 518 Q C 1.037 176.955 176.000 -0.136 0.000 1.097 518 Q CA 1.755 57.546 55.803 -0.020 0.000 1.007 518 Q CB 0.180 28.884 28.738 -0.058 0.000 1.051 518 Q HN 0.672 nan 8.270 nan 0.000 0.381 519 A N 3.731 126.416 122.820 -0.224 0.000 2.829 519 A HA -0.290 4.034 4.320 0.006 0.000 0.267 519 A C 0.953 178.370 177.584 -0.278 0.000 1.370 519 A CA 1.350 53.143 52.037 -0.407 0.000 0.900 519 A CB -2.146 16.241 19.000 -1.022 0.000 1.044 519 A HN 1.053 nan 8.150 nan 0.000 0.691 520 D N -1.241 119.070 120.400 -0.148 0.000 2.357 520 D HA 0.188 4.831 4.640 0.006 0.000 0.216 520 D C 1.682 177.876 176.300 -0.177 0.000 0.973 520 D CA 1.688 55.618 54.000 -0.117 0.000 0.912 520 D CB -0.963 39.776 40.800 -0.102 0.000 0.900 520 D HN 2.029 nan 8.370 nan 0.000 0.501 521 G N -1.224 107.451 108.800 -0.210 0.000 2.176 521 G HA2 -0.264 3.699 3.960 0.006 0.000 0.253 521 G HA3 -0.264 3.699 3.960 0.006 0.000 0.253 521 G C 0.355 175.122 174.900 -0.221 0.000 0.979 521 G CA 0.434 45.409 45.100 -0.208 0.000 0.641 521 G HN 0.541 nan 8.290 nan 0.000 0.530 522 T N 0.964 115.356 114.554 -0.271 0.000 2.884 522 T HA 0.565 4.918 4.350 0.006 0.000 0.298 522 T C 0.517 175.043 174.700 -0.291 0.000 0.998 522 T CA 0.390 62.309 62.100 -0.303 0.000 1.124 522 T CB 2.059 70.648 68.868 -0.465 0.000 0.931 522 T HN 1.481 nan 8.240 nan 0.000 0.531 523 V N 1.623 121.427 119.914 -0.183 0.000 3.102 523 V HA 0.880 5.003 4.120 0.006 0.000 0.312 523 V C -1.276 174.825 176.094 0.011 0.000 1.135 523 V CA -1.336 60.905 62.300 -0.098 0.000 1.022 523 V CB 2.014 33.796 31.823 -0.068 0.000 1.056 523 V HN 0.677 nan 8.190 nan 0.000 0.436 524 L N 2.893 124.167 121.223 0.086 0.000 2.349 524 L HA 0.784 5.128 4.340 0.006 0.000 0.278 524 L C -1.118 175.817 176.870 0.108 0.000 0.996 524 L CA -0.470 54.474 54.840 0.174 0.000 0.825 524 L CB 1.375 43.628 42.059 0.324 0.000 1.243 524 L HN 0.866 nan 8.230 nan 0.000 0.412 525 L N 4.522 125.797 121.223 0.087 0.000 2.307 525 L HA 0.739 5.082 4.340 0.006 0.000 0.284 525 L C -0.516 176.387 176.870 0.056 0.000 1.023 525 L CA 0.309 55.185 54.840 0.060 0.000 0.810 525 L CB 1.941 44.029 42.059 0.048 0.000 1.231 525 L HN 0.738 nan 8.230 nan 0.000 0.423 526 T N 6.131 120.714 114.554 0.048 0.000 2.841 526 T HA 0.786 5.140 4.350 0.006 0.000 0.283 526 T C -0.392 174.331 174.700 0.038 0.000 1.000 526 T CA -0.589 61.539 62.100 0.046 0.000 0.977 526 T CB 1.459 70.359 68.868 0.053 0.000 0.979 526 T HN 0.684 nan 8.240 nan 0.000 0.446 527 M N 1.307 120.934 119.600 0.045 0.000 2.721 527 M HA 0.775 5.258 4.480 0.006 0.000 0.271 527 M C -2.030 174.339 176.300 0.115 0.000 1.259 527 M CA -1.252 54.077 55.300 0.049 0.000 0.835 527 M CB 2.236 34.821 32.600 -0.025 0.000 1.689 527 M HN 0.541 nan 8.290 nan 0.000 0.470 528 F N 2.284 122.212 119.950 -0.036 0.000 2.493 528 F HA 0.770 5.300 4.527 0.006 0.000 0.329 528 F C -2.233 173.555 175.800 -0.019 0.000 1.126 528 F CA -0.689 57.300 58.000 -0.019 0.000 0.937 528 F CB 1.417 40.408 39.000 -0.015 0.000 1.146 528 F HN 0.575 nan 8.300 nan 0.000 0.442 529 L N 7.641 128.427 121.223 -0.729 0.000 2.313 529 L HA 0.470 4.813 4.340 0.006 0.000 0.283 529 L C -2.356 173.996 176.870 -0.863 0.000 1.013 529 L CA -2.129 52.369 54.840 -0.570 0.000 0.816 529 L CB 1.870 43.806 42.059 -0.206 0.000 1.236 529 L HN 0.485 nan 8.230 nan 0.000 0.419 530 P HA 0.129 nan 4.420 nan 0.000 0.256 530 P C -0.311 176.905 177.300 -0.140 0.000 1.688 530 P CA 0.292 63.235 63.100 -0.261 0.000 1.162 530 P CB 0.353 32.056 31.700 0.004 0.000 1.870 531 T N -0.053 114.406 114.554 -0.158 0.000 2.669 531 T HA 0.350 4.703 4.350 0.006 0.000 0.305 531 T C -0.883 173.779 174.700 -0.063 0.000 1.838 531 T CA -0.453 61.602 62.100 -0.075 0.000 0.978 531 T CB 0.124 68.960 68.868 -0.053 0.000 1.851 531 T HN 0.094 nan 8.240 nan 0.000 0.503 532 S N 1.080 116.764 115.700 -0.028 0.000 2.600 532 S HA 0.300 4.774 4.470 0.006 0.000 0.265 532 S C 1.547 176.144 174.600 -0.005 0.000 1.325 532 S CA 0.446 58.638 58.200 -0.013 0.000 1.002 532 S CB 0.892 64.089 63.200 -0.004 0.000 0.921 532 S HN 1.101 nan 8.310 nan 0.000 0.554 533 K N 1.798 122.202 120.400 0.007 0.000 1.991 533 K HA -0.174 4.149 4.320 0.006 0.000 0.212 533 K C 2.267 178.902 176.600 0.058 0.000 1.049 533 K CA 1.148 57.447 56.287 0.021 0.000 0.932 533 K CB -0.417 32.097 32.500 0.023 0.000 0.717 533 K HN 0.610 nan 8.250 nan 0.000 0.441 534 R N 0.844 121.383 120.500 0.066 0.000 2.096 534 R HA -0.090 4.253 4.340 0.006 0.000 0.235 534 R C 2.248 178.647 176.300 0.165 0.000 1.127 534 R CA 1.435 57.610 56.100 0.125 0.000 0.968 534 R CB -0.236 30.104 30.300 0.066 0.000 0.861 534 R HN 0.182 nan 8.270 nan 0.000 0.440 535 V N 0.757 120.713 119.914 0.071 0.000 2.261 535 V HA -0.240 3.883 4.120 0.006 0.000 0.246 535 V C 2.433 178.603 176.094 0.127 0.000 1.047 535 V CA 2.013 64.350 62.300 0.063 0.000 1.015 535 V CB -0.672 31.157 31.823 0.009 0.000 0.642 535 V HN 0.521 nan 8.190 nan 0.000 0.446 536 A N -0.786 122.080 122.820 0.076 0.000 1.972 536 A HA -0.282 4.041 4.320 0.006 0.000 0.219 536 A C 2.216 179.854 177.584 0.089 0.000 1.169 536 A CA 1.998 54.069 52.037 0.055 0.000 0.635 536 A CB -0.551 18.431 19.000 -0.030 0.000 0.810 536 A HN 0.657 nan 8.150 nan 0.000 0.446 537 E N -0.820 119.448 120.200 0.114 0.000 2.049 537 E HA -0.235 4.119 4.350 0.006 0.000 0.198 537 E C 1.613 178.210 176.600 -0.005 0.000 1.007 537 E CA 1.832 58.260 56.400 0.047 0.000 0.809 537 E CB -0.273 29.451 29.700 0.040 0.000 0.749 537 E HN 0.701 nan 8.360 nan 0.000 0.450 538 F N 0.128 120.081 119.950 0.005 0.000 2.259 538 F HA -0.014 4.517 4.527 0.006 0.000 0.298 538 F C 2.365 178.164 175.800 -0.002 0.000 1.088 538 F CA 0.546 58.546 58.000 0.000 0.000 1.358 538 F CB -0.182 38.812 39.000 -0.010 0.000 1.040 538 F HN 0.126 nan 8.300 nan 0.000 0.505 539 A N 0.337 123.264 122.820 0.179 0.000 1.898 539 A HA -0.066 4.257 4.320 0.006 0.000 0.216 539 A C 2.415 180.101 177.584 0.169 0.000 1.181 539 A CA 1.545 53.642 52.037 0.100 0.000 0.620 539 A CB -1.220 17.853 19.000 0.122 0.000 0.819 539 A HN 0.293 nan 8.150 nan 0.000 0.442 540 A N 0.513 123.441 122.820 0.180 0.000 1.892 540 A HA -0.159 4.164 4.320 0.006 0.000 0.218 540 A C 2.063 179.725 177.584 0.130 0.000 1.188 540 A CA 1.747 53.894 52.037 0.184 0.000 0.631 540 A CB -0.656 18.390 19.000 0.077 0.000 0.822 540 A HN 0.477 nan 8.150 nan 0.000 0.447 541 I N -0.220 120.370 120.570 0.032 0.000 2.163 541 I HA -0.225 3.948 4.170 0.006 0.000 0.243 541 I C 2.399 178.532 176.117 0.026 0.000 1.085 541 I CA 1.599 62.895 61.300 -0.007 0.000 1.347 541 I CB -1.391 36.554 38.000 -0.091 0.000 1.044 541 I HN 0.347 nan 8.210 nan 0.000 0.408 542 E N 0.728 120.932 120.200 0.007 0.000 2.110 542 E HA -0.179 4.174 4.350 0.006 0.000 0.193 542 E C 2.200 178.765 176.600 -0.058 0.000 0.988 542 E CA 1.181 57.550 56.400 -0.051 0.000 0.804 542 E CB -0.433 29.195 29.700 -0.121 0.000 0.745 542 E HN 0.385 nan 8.360 nan 0.000 0.458 543 F N 1.299 121.260 119.950 0.019 0.000 2.069 543 F HA -0.197 4.333 4.527 0.005 0.000 0.298 543 F C 2.514 178.326 175.800 0.020 0.000 1.113 543 F CA 1.242 59.254 58.000 0.020 0.000 1.214 543 F CB -1.008 38.003 39.000 0.019 0.000 0.978 543 F HN 0.005 nan 8.300 nan 0.000 0.474 544 A N -0.242 122.706 122.820 0.214 0.000 1.892 544 A HA -0.278 4.045 4.320 0.006 0.000 0.218 544 A C 2.244 179.880 177.584 0.087 0.000 1.188 544 A CA 2.178 54.288 52.037 0.121 0.000 0.631 544 A CB -0.783 18.262 19.000 0.076 0.000 0.822 544 A HN 0.375 nan 8.150 nan 0.000 0.447 545 K N -0.826 119.612 120.400 0.064 0.000 2.057 545 K HA -0.108 4.216 4.320 0.006 0.000 0.207 545 K C 1.924 178.556 176.600 0.054 0.000 1.049 545 K CA 1.277 57.590 56.287 0.043 0.000 0.931 545 K CB -0.091 32.421 32.500 0.021 0.000 0.714 545 K HN 0.104 nan 8.250 nan 0.000 0.440 546 K N 0.499 120.934 120.400 0.058 0.000 2.360 546 K HA -0.037 4.287 4.320 0.006 0.000 0.201 546 K C 1.513 178.169 176.600 0.093 0.000 1.046 546 K CA 1.177 57.502 56.287 0.065 0.000 0.945 546 K CB -0.000 32.534 32.500 0.057 0.000 0.750 546 K HN 0.253 nan 8.250 nan 0.000 0.464 547 M N 0.356 120.021 119.600 0.108 0.000 2.494 547 M HA 0.018 4.502 4.480 0.006 0.000 0.232 547 M C -0.456 175.913 176.300 0.114 0.000 1.137 547 M CA 0.100 55.467 55.300 0.112 0.000 1.012 547 M CB 0.107 32.773 32.600 0.110 0.000 1.567 547 M HN 0.049 nan 8.290 nan 0.000 0.486 548 N N -0.102 118.659 118.700 0.102 0.000 2.925 548 N HA -0.118 4.625 4.740 0.006 0.000 0.244 548 N C -0.699 174.850 175.510 0.066 0.000 1.000 548 N CA 0.622 53.741 53.050 0.115 0.000 0.895 548 N CB -1.657 36.960 38.487 0.217 0.000 1.119 548 N HN 0.355 nan 8.380 nan 0.000 0.569 549 L N 0.847 122.093 121.223 0.039 0.000 2.371 549 L HA 0.503 4.846 4.340 0.006 0.000 0.272 549 L C 1.203 178.073 176.870 -0.000 0.000 1.124 549 L CA 0.169 55.008 54.840 -0.000 0.000 0.816 549 L CB 0.528 42.589 42.059 0.002 0.000 1.129 549 L HN 0.287 nan 8.230 nan 0.000 0.448 550 E N 0.873 121.060 120.200 -0.021 0.000 2.243 550 E HA 0.529 4.883 4.350 0.006 0.000 0.260 550 E C 0.482 177.069 176.600 -0.022 0.000 0.985 550 E CA -0.126 56.265 56.400 -0.015 0.000 0.858 550 E CB 0.800 30.490 29.700 -0.016 0.000 1.210 550 E HN 0.765 nan 8.360 nan 0.000 0.411 551 E N -1.338 118.852 120.200 -0.016 0.000 2.199 551 E HA -0.021 4.332 4.350 0.006 0.000 0.208 551 E C 0.010 176.598 176.600 -0.019 0.000 1.310 551 E CA 0.836 57.225 56.400 -0.018 0.000 0.709 551 E CB -2.667 27.019 29.700 -0.025 0.000 1.127 551 E HN 1.275 nan 8.360 nan 0.000 0.354 552 V N 1.533 121.437 119.914 -0.017 0.000 2.353 552 V HA 0.429 4.553 4.120 0.006 0.000 0.264 552 V C 0.440 176.517 176.094 -0.029 0.000 1.049 552 V CA 0.100 62.391 62.300 -0.016 0.000 0.896 552 V CB 0.864 32.680 31.823 -0.011 0.000 1.025 552 V HN 0.605 nan 8.190 nan 0.000 0.475 553 E N 3.711 123.898 120.200 -0.021 0.000 2.199 553 E HA 0.531 4.884 4.350 0.006 0.000 0.269 553 E C -1.092 175.486 176.600 -0.036 0.000 0.899 553 E CA -0.968 55.410 56.400 -0.037 0.000 0.772 553 E CB 2.559 32.246 29.700 -0.022 0.000 1.155 553 E HN 0.336 nan 8.360 nan 0.000 0.408 554 V N 4.355 124.228 119.914 -0.069 0.000 2.439 554 V HA 0.009 4.132 4.120 0.006 0.000 0.271 554 V C 1.150 177.217 176.094 -0.046 0.000 1.040 554 V CA 0.323 62.587 62.300 -0.060 0.000 1.002 554 V CB -0.147 31.619 31.823 -0.095 0.000 1.000 554 V HN 0.727 nan 8.190 nan 0.000 0.477 555 I N 1.597 122.148 120.570 -0.033 0.000 3.645 555 I HA 0.407 4.580 4.170 0.006 0.000 0.300 555 I C 0.595 176.676 176.117 -0.061 0.000 1.260 555 I CA 0.452 61.723 61.300 -0.048 0.000 1.365 555 I CB 0.369 38.338 38.000 -0.052 0.000 1.077 555 I HN 0.596 nan 8.210 nan 0.000 0.439 556 N N 1.286 119.958 118.700 -0.046 0.000 2.452 556 N HA 0.441 5.184 4.740 0.006 0.000 0.277 556 N C -1.623 173.873 175.510 -0.024 0.000 1.078 556 N CA -0.579 52.445 53.050 -0.044 0.000 0.947 556 N CB 1.755 40.207 38.487 -0.057 0.000 1.655 556 N HN 0.136 nan 8.380 nan 0.000 0.490 557 R N 1.473 121.963 120.500 -0.017 0.000 2.534 557 R HA 0.561 4.904 4.340 0.006 0.000 0.301 557 R C -0.878 175.424 176.300 0.003 0.000 0.961 557 R CA -0.718 55.380 56.100 -0.003 0.000 0.871 557 R CB 2.030 32.331 30.300 0.001 0.000 1.170 557 R HN 0.412 nan 8.270 nan 0.000 0.446 558 E N 1.757 121.967 120.200 0.017 0.000 2.218 558 E HA 0.219 4.572 4.350 0.006 0.000 0.263 558 E C -0.943 175.682 176.600 0.042 0.000 0.879 558 E CA -0.821 55.594 56.400 0.025 0.000 0.762 558 E CB 2.755 32.470 29.700 0.026 0.000 1.166 558 E HN 0.173 nan 8.360 nan 0.000 0.415 559 V N 5.662 125.597 119.914 0.034 0.000 2.415 559 V HA -0.058 4.065 4.120 0.006 0.000 0.267 559 V C 1.246 177.378 176.094 0.063 0.000 1.042 559 V CA 0.240 62.566 62.300 0.042 0.000 1.000 559 V CB 0.419 32.259 31.823 0.028 0.000 1.015 559 V HN 0.804 nan 8.190 nan 0.000 0.478 560 M N 2.435 122.101 119.600 0.109 0.000 2.139 560 M HA -0.003 4.480 4.480 0.006 0.000 0.260 560 M C 0.891 177.244 176.300 0.088 0.000 1.078 560 M CA 1.743 57.122 55.300 0.132 0.000 1.106 560 M CB -0.441 32.323 32.600 0.275 0.000 1.275 560 M HN 0.626 nan 8.290 nan 0.000 0.425 561 Q N 0.087 119.943 119.800 0.094 0.000 2.331 561 Q HA 0.127 4.471 4.340 0.006 0.000 0.272 561 Q C 0.208 176.236 176.000 0.047 0.000 1.062 561 Q CA -0.033 55.806 55.803 0.059 0.000 0.806 561 Q CB 2.384 31.155 28.738 0.055 0.000 1.312 561 Q HN 0.502 nan 8.270 nan 0.000 0.431 562 E N 2.790 123.008 120.200 0.031 0.000 2.245 562 E HA -0.342 4.011 4.350 0.006 0.000 0.217 562 E C 0.673 177.284 176.600 0.018 0.000 1.069 562 E CA 2.653 59.065 56.400 0.021 0.000 0.877 562 E CB 0.191 29.900 29.700 0.015 0.000 0.757 562 E HN 0.632 nan 8.360 nan 0.000 0.464 563 A N -0.046 122.789 122.820 0.024 0.000 1.963 563 A HA 0.035 4.359 4.320 0.006 0.000 0.207 563 A C 1.897 179.500 177.584 0.031 0.000 1.243 563 A CA 0.462 52.511 52.037 0.021 0.000 0.728 563 A CB -0.015 18.997 19.000 0.020 0.000 0.895 563 A HN 0.176 nan 8.150 nan 0.000 0.467 564 E N 0.082 120.316 120.200 0.057 0.000 2.268 564 E HA 0.161 4.515 4.350 0.006 0.000 0.195 564 E C 0.928 177.608 176.600 0.134 0.000 0.995 564 E CA 1.007 57.465 56.400 0.098 0.000 0.836 564 E CB -0.078 29.692 29.700 0.117 0.000 0.763 564 E HN 0.622 nan 8.360 nan 0.000 0.491 565 G N -0.890 107.956 108.800 0.077 0.000 2.339 565 G HA2 0.223 4.187 3.960 0.006 0.000 0.302 565 G HA3 0.223 4.187 3.960 0.006 0.000 0.302 565 G C -1.146 173.712 174.900 -0.071 0.000 1.425 565 G CA -0.635 44.406 45.100 -0.098 0.000 0.899 565 G HN -0.069 nan 8.290 nan 0.000 0.619 566 T N 0.024 114.381 114.554 -0.329 0.000 2.933 566 T HA 0.627 4.981 4.350 0.006 0.000 0.305 566 T C -0.276 174.357 174.700 -0.111 0.000 1.092 566 T CA -0.685 61.346 62.100 -0.115 0.000 1.008 566 T CB 2.080 70.898 68.868 -0.083 0.000 1.102 566 T HN 0.694 nan 8.240 nan 0.000 0.469 567 R N 2.762 123.310 120.500 0.080 0.000 2.368 567 R HA 0.615 4.958 4.340 0.006 0.000 0.302 567 R C -1.109 175.217 176.300 0.044 0.000 1.002 567 R CA -0.563 55.610 56.100 0.122 0.000 0.929 567 R CB 0.424 30.818 30.300 0.157 0.000 1.073 567 R HN 0.408 nan 8.270 nan 0.000 0.464 568 I N 3.467 124.058 120.570 0.034 0.000 2.498 568 I HA 0.306 4.479 4.170 0.006 0.000 0.290 568 I C -0.485 175.644 176.117 0.021 0.000 1.032 568 I CA -0.639 60.670 61.300 0.015 0.000 1.073 568 I CB 1.966 39.968 38.000 0.005 0.000 1.251 568 I HN 0.702 nan 8.210 nan 0.000 0.426 569 E N 5.628 125.834 120.200 0.010 0.000 2.171 569 E HA 0.666 5.019 4.350 0.006 0.000 0.271 569 E C -1.333 175.276 176.600 0.016 0.000 0.916 569 E CA -0.763 55.647 56.400 0.017 0.000 0.774 569 E CB 2.655 32.357 29.700 0.004 0.000 1.128 569 E HN 0.243 nan 8.360 nan 0.000 0.403 570 L N 2.572 123.818 121.223 0.038 0.000 2.354 570 L HA 0.451 4.794 4.340 0.006 0.000 0.264 570 L C -0.439 176.483 176.870 0.086 0.000 1.008 570 L CA -0.746 54.119 54.840 0.042 0.000 0.819 570 L CB 1.557 43.636 42.059 0.033 0.000 1.339 570 L HN 0.422 nan 8.230 nan 0.000 0.420 571 K N 0.033 120.488 120.400 0.091 0.000 2.259 571 K HA 0.967 5.290 4.320 0.006 0.000 0.249 571 K C -0.564 176.064 176.600 0.046 0.000 0.942 571 K CA -0.798 55.564 56.287 0.124 0.000 0.816 571 K CB 2.280 34.916 32.500 0.227 0.000 1.155 571 K HN 0.658 nan 8.250 nan 0.000 0.428 572 G N 1.354 110.160 108.800 0.009 0.000 2.720 572 G HA2 0.355 4.318 3.960 0.006 0.000 0.295 572 G HA3 0.355 4.318 3.960 0.006 0.000 0.295 572 G C -1.805 173.054 174.900 -0.069 0.000 1.437 572 G CA -1.043 44.043 45.100 -0.023 0.000 0.886 572 G HN 0.603 nan 8.290 nan 0.000 0.509 573 R N 0.924 121.374 120.500 -0.083 0.000 2.349 573 R HA 0.583 4.926 4.340 0.006 0.000 0.299 573 R C -0.475 175.729 176.300 -0.160 0.000 1.027 573 R CA -0.469 55.556 56.100 -0.125 0.000 0.958 573 R CB 1.398 31.636 30.300 -0.104 0.000 1.047 573 R HN 0.277 nan 8.270 nan 0.000 0.468 574 V N 7.038 126.810 119.914 -0.236 0.000 2.498 574 V HA 0.209 4.332 4.120 0.006 0.000 0.279 574 V C -1.596 174.251 176.094 -0.411 0.000 1.048 574 V CA -1.244 60.808 62.300 -0.414 0.000 0.967 574 V CB 1.571 33.077 31.823 -0.530 0.000 0.988 574 V HN 0.862 nan 8.190 nan 0.000 0.473 575 P HA 0.213 nan 4.420 nan 0.000 0.261 575 P C -0.569 176.714 177.300 -0.028 0.000 1.352 575 P CA 0.186 63.198 63.100 -0.146 0.000 0.891 575 P CB -0.051 31.661 31.700 0.020 0.000 1.383 576 F N -2.213 117.760 119.950 0.038 0.000 2.629 576 F HA 0.758 5.285 4.527 0.001 0.000 0.316 576 F C 0.206 176.052 175.800 0.075 0.000 1.081 576 F CA -1.400 56.633 58.000 0.055 0.000 0.954 576 F CB 0.325 39.349 39.000 0.039 0.000 1.337 576 F HN -0.367 nan 8.300 nan 0.000 0.474 577 S N 1.120 117.032 115.700 0.354 0.000 2.677 577 S HA 0.803 5.277 4.470 0.006 0.000 0.290 577 S C -1.134 173.626 174.600 0.266 0.000 1.124 577 S CA -0.698 57.667 58.200 0.275 0.000 1.017 577 S CB 1.662 65.007 63.200 0.243 0.000 1.215 577 S HN 0.580 nan 8.310 nan 0.000 0.524 578 I N 1.116 121.789 120.570 0.171 0.000 2.680 578 I HA 0.343 4.516 4.170 0.006 0.000 0.291 578 I C -1.427 174.730 176.117 0.067 0.000 1.244 578 I CA -0.541 60.828 61.300 0.116 0.000 1.042 578 I CB 2.093 40.163 38.000 0.117 0.000 1.277 578 I HN 0.715 nan 8.210 nan 0.000 0.423 579 D N 5.890 126.311 120.400 0.035 0.000 2.312 579 D HA 0.221 4.864 4.640 0.006 0.000 0.252 579 D C 1.305 177.613 176.300 0.014 0.000 1.150 579 D CA -0.298 53.708 54.000 0.011 0.000 0.870 579 D CB 1.161 41.958 40.800 -0.005 0.000 1.153 579 D HN 0.225 nan 8.370 nan 0.000 0.457 580 I N 3.519 124.095 120.570 0.011 0.000 2.208 580 I HA -0.264 3.909 4.170 0.006 0.000 0.245 580 I C 1.773 177.892 176.117 0.004 0.000 1.097 580 I CA 0.985 62.291 61.300 0.010 0.000 1.363 580 I CB -0.952 37.052 38.000 0.006 0.000 1.051 580 I HN 0.546 nan 8.210 nan 0.000 0.413 581 N N 0.790 119.489 118.700 -0.002 0.000 2.453 581 N HA -0.101 4.643 4.740 0.006 0.000 0.183 581 N C 1.795 177.303 175.510 -0.004 0.000 1.041 581 N CA 1.355 54.402 53.050 -0.005 0.000 0.900 581 N CB -0.039 38.443 38.487 -0.010 0.000 0.961 581 N HN 0.469 nan 8.380 nan 0.000 0.443 582 S N -0.239 115.460 115.700 -0.002 0.000 2.528 582 S HA 0.136 4.609 4.470 0.006 0.000 0.219 582 S C 0.875 175.476 174.600 0.001 0.000 0.985 582 S CA -0.242 57.956 58.200 -0.002 0.000 0.914 582 S CB -0.038 63.160 63.200 -0.003 0.000 0.776 582 S HN 0.101 nan 8.310 nan 0.000 0.526 583 L N 2.742 123.968 121.223 0.005 0.000 2.410 583 L HA 0.308 4.651 4.340 0.006 0.000 0.273 583 L C -0.569 176.303 176.870 0.004 0.000 1.152 583 L CA -0.520 54.325 54.840 0.007 0.000 0.855 583 L CB 1.073 43.139 42.059 0.011 0.000 1.129 583 L HN 0.065 nan 8.230 nan 0.000 0.463 584 V N 5.831 125.747 119.914 0.004 0.000 2.370 584 V HA 0.427 4.551 4.120 0.006 0.000 0.279 584 V C 0.099 176.195 176.094 0.004 0.000 1.029 584 V CA -0.285 62.017 62.300 0.002 0.000 0.870 584 V CB 1.391 33.214 31.823 0.001 0.000 0.984 584 V HN 0.481 nan 8.190 nan 0.000 0.451 585 I N 6.475 127.047 120.570 0.003 0.000 2.500 585 I HA 0.413 4.586 4.170 0.006 0.000 0.286 585 I C -1.871 174.248 176.117 0.004 0.000 1.063 585 I CA -1.563 59.739 61.300 0.004 0.000 1.062 585 I CB 1.974 39.977 38.000 0.004 0.000 1.223 585 I HN 0.501 nan 8.210 nan 0.000 0.435 586 P HA 0.347 nan 4.420 nan 0.000 0.271 586 P C -2.498 174.805 177.300 0.005 0.000 1.238 586 P CA -0.527 62.576 63.100 0.005 0.000 0.794 586 P CB -0.380 31.325 31.700 0.007 0.000 0.959 592 L N 2.801 124.011 121.223 -0.023 0.000 2.343 592 L HA 0.697 5.041 4.340 0.006 0.000 0.275 592 L C 1.140 177.983 176.870 -0.046 0.000 1.056 592 L CA -0.243 54.573 54.840 -0.040 0.000 0.804 592 L CB 1.455 43.477 42.059 -0.062 0.000 1.203 592 L HN 0.626 nan 8.230 nan 0.000 0.440 593 S N 0.820 116.500 115.700 -0.034 0.000 2.650 593 S HA 0.141 4.615 4.470 0.006 0.000 0.251 593 S C 1.076 175.669 174.600 -0.012 0.000 1.325 593 S CA 0.209 58.399 58.200 -0.017 0.000 0.967 593 S CB 0.239 63.432 63.200 -0.012 0.000 1.000 593 S HN 0.693 nan 8.310 nan 0.000 0.584 594 E N -0.870 119.364 120.200 0.056 0.000 2.489 594 E HA 0.062 4.416 4.350 0.006 0.000 0.193 594 E C 0.931 177.607 176.600 0.126 0.000 1.057 594 E CA 0.616 57.117 56.400 0.168 0.000 0.866 594 E CB -0.575 29.278 29.700 0.254 0.000 0.916 594 E HN 0.635 nan 8.360 nan 0.000 0.500 595 D N -1.486 118.944 120.400 0.050 0.000 2.449 595 D HA 0.131 4.775 4.640 0.006 0.000 0.210 595 D C 1.978 178.279 176.300 0.001 0.000 1.094 595 D CA 0.976 54.997 54.000 0.035 0.000 0.846 595 D CB 0.798 41.615 40.800 0.028 0.000 1.003 595 D HN 0.535 nan 8.370 nan 0.000 0.504 596 E N 0.515 120.701 120.200 -0.024 0.000 2.385 596 E HA 0.020 4.374 4.350 0.006 0.000 0.194 596 E C 1.766 178.321 176.600 -0.075 0.000 1.013 596 E CA 0.378 56.753 56.400 -0.041 0.000 0.866 596 E CB -0.143 29.532 29.700 -0.042 0.000 0.832 596 E HN 0.131 nan 8.360 nan 0.000 0.500 597 I N -0.230 120.263 120.570 -0.127 0.000 2.927 597 I HA 0.140 4.313 4.170 0.006 0.000 0.268 597 I C 2.438 178.480 176.117 -0.125 0.000 1.153 597 I CA 0.767 61.931 61.300 -0.225 0.000 1.459 597 I CB -0.573 37.083 38.000 -0.574 0.000 1.149 597 I HN 0.252 nan 8.210 nan 0.000 0.443 598 R N 1.658 122.150 120.500 -0.014 0.000 2.339 598 R HA -0.069 4.274 4.340 0.006 0.000 0.199 598 R C 1.652 177.973 176.300 0.036 0.000 1.018 598 R CA 1.353 57.504 56.100 0.085 0.000 1.036 598 R CB 0.135 30.521 30.300 0.143 0.000 0.899 598 R HN 0.481 nan 8.270 nan 0.000 0.473 599 E N -0.069 120.132 120.200 0.002 0.000 2.399 599 E HA -0.061 4.293 4.350 0.006 0.000 0.205 599 E C 1.313 177.906 176.600 -0.010 0.000 0.906 599 E CA 0.410 56.809 56.400 -0.001 0.000 0.998 599 E CB -0.186 29.511 29.700 -0.005 0.000 1.002 599 E HN 0.392 nan 8.360 nan 0.000 0.501 600 D N -0.365 120.019 120.400 -0.027 0.000 2.305 600 D HA 0.074 4.717 4.640 0.006 0.000 0.206 600 D C 1.741 178.027 176.300 -0.023 0.000 0.974 600 D CA 0.708 54.689 54.000 -0.031 0.000 0.871 600 D CB 0.311 41.081 40.800 -0.050 0.000 0.947 600 D HN 0.502 nan 8.370 nan 0.000 0.516 601 I N 0.432 120.994 120.570 -0.014 0.000 3.172 601 I HA 0.011 4.184 4.170 0.006 0.000 0.278 601 I C 2.564 178.694 176.117 0.022 0.000 1.174 601 I CA 0.680 61.984 61.300 0.007 0.000 1.445 601 I CB -0.249 37.767 38.000 0.027 0.000 1.175 601 I HN -0.125 nan 8.210 nan 0.000 0.447 602 E N 1.843 122.059 120.200 0.027 0.000 2.478 602 E HA -0.127 4.227 4.350 0.006 0.000 0.198 602 E C 1.927 178.537 176.600 0.017 0.000 1.046 602 E CA 0.854 57.272 56.400 0.029 0.000 0.870 602 E CB -0.310 29.412 29.700 0.035 0.000 0.818 602 E HN 0.502 nan 8.360 nan 0.000 0.527 603 K N -0.911 119.495 120.400 0.011 0.000 2.262 603 K HA 0.101 4.425 4.320 0.006 0.000 0.200 603 K C 0.221 176.824 176.600 0.006 0.000 1.058 603 K CA 0.900 57.191 56.287 0.007 0.000 0.974 603 K CB 1.050 33.551 32.500 0.003 0.000 0.910 603 K HN 0.208 nan 8.250 nan 0.000 0.484 604 T N 3.592 118.148 114.554 0.003 0.000 2.788 604 T HA 0.334 4.687 4.350 0.006 0.000 0.296 604 T C -2.700 172.005 174.700 0.007 0.000 1.009 604 T CA -1.743 60.359 62.100 0.002 0.000 0.949 604 T CB 1.671 70.536 68.868 -0.004 0.000 0.946 604 T HN -0.129 nan 8.240 nan 0.000 0.453 605 P HA 0.276 nan 4.420 nan 0.000 0.268 605 P C -0.968 176.345 177.300 0.022 0.000 1.208 605 P CA -0.646 62.467 63.100 0.022 0.000 0.777 605 P CB 0.440 32.155 31.700 0.025 0.000 0.875 606 L N 2.141 123.384 121.223 0.033 0.000 2.504 606 L HA 0.431 4.775 4.340 0.006 0.000 0.265 606 L C -0.736 176.170 176.870 0.060 0.000 0.975 606 L CA -0.574 54.287 54.840 0.035 0.000 0.864 606 L CB 1.283 43.356 42.059 0.024 0.000 1.212 606 L HN 0.123 nan 8.230 nan 0.000 0.416 607 K N 4.247 124.687 120.400 0.066 0.000 2.211 607 K HA 0.696 5.019 4.320 0.006 0.000 0.275 607 K C -1.160 175.504 176.600 0.107 0.000 1.024 607 K CA -0.502 55.850 56.287 0.107 0.000 0.887 607 K CB 1.020 33.577 32.500 0.094 0.000 1.084 607 K HN 0.576 nan 8.250 nan 0.000 0.463 608 I N 3.997 124.661 120.570 0.157 0.000 2.569 608 I HA 0.242 4.416 4.170 0.006 0.000 0.296 608 I C -1.018 175.204 176.117 0.174 0.000 1.028 608 I CA -0.797 60.587 61.300 0.141 0.000 1.082 608 I CB 2.104 40.183 38.000 0.131 0.000 1.264 608 I HN 0.335 nan 8.210 nan 0.000 0.429 609 V N 3.082 123.070 119.914 0.123 0.000 2.384 609 V HA 0.988 5.112 4.120 0.006 0.000 0.287 609 V C -0.256 175.911 176.094 0.122 0.000 1.020 609 V CA -0.652 61.721 62.300 0.122 0.000 0.850 609 V CB 0.941 32.793 31.823 0.048 0.000 0.987 609 V HN 0.822 nan 8.190 nan 0.000 0.436 610 A N 3.835 126.749 122.820 0.157 0.000 2.371 610 A HA 1.075 5.398 4.320 0.006 0.000 0.311 610 A C -0.092 177.546 177.584 0.090 0.000 1.068 610 A CA -0.123 52.019 52.037 0.175 0.000 0.744 610 A CB 1.758 20.914 19.000 0.260 0.000 1.239 610 A HN 2.463 nan 8.150 nan 0.000 0.435 611 A N 0.930 123.774 122.820 0.041 0.000 2.594 611 A HA 0.681 5.004 4.320 0.006 0.000 0.296 611 A C -0.369 177.221 177.584 0.010 0.000 1.061 611 A CA -0.412 51.560 52.037 -0.108 0.000 0.689 611 A CB 0.592 19.487 19.000 -0.175 0.000 1.280 611 A HN 0.876 nan 8.150 nan 0.000 0.406 612 T N 2.187 116.750 114.554 0.015 0.000 2.750 612 T HA 0.373 4.727 4.350 0.006 0.000 0.286 612 T C 0.481 175.199 174.700 0.031 0.000 0.911 612 T CA 0.210 62.346 62.100 0.060 0.000 1.130 612 T CB -0.347 68.577 68.868 0.094 0.000 0.873 612 T HN 0.547 nan 8.240 nan 0.000 0.536 613 V N 3.998 123.936 119.914 0.040 0.000 2.924 613 V HA 0.583 4.706 4.120 0.006 0.000 0.305 613 V C 1.291 177.409 176.094 0.041 0.000 1.073 613 V CA 0.925 63.245 62.300 0.033 0.000 1.098 613 V CB 0.495 32.342 31.823 0.039 0.000 1.000 613 V HN 1.226 nan 8.190 nan 0.000 0.484 614 G N 3.604 112.423 108.800 0.033 0.000 2.508 614 G HA2 -0.176 3.787 3.960 0.006 0.000 0.220 614 G HA3 -0.176 3.787 3.960 0.006 0.000 0.220 614 G C 0.164 175.086 174.900 0.036 0.000 1.287 614 G CA 0.231 45.354 45.100 0.039 0.000 0.916 614 G HN 0.641 nan 8.290 nan 0.000 0.574 615 E N 0.678 120.906 120.200 0.045 0.000 2.451 615 E HA 0.137 4.491 4.350 0.006 0.000 0.194 615 E C -0.138 176.494 176.600 0.054 0.000 1.027 615 E CA -0.315 56.110 56.400 0.041 0.000 0.914 615 E CB 0.167 29.891 29.700 0.039 0.000 1.054 615 E HN 0.357 nan 8.360 nan 0.000 0.461 616 D N 1.083 121.528 120.400 0.075 0.000 2.414 616 D HA -0.017 4.627 4.640 0.006 0.000 0.242 616 D C 0.836 177.179 176.300 0.071 0.000 1.129 616 D CA 0.395 54.470 54.000 0.124 0.000 0.885 616 D CB 1.031 41.922 40.800 0.150 0.000 1.198 616 D HN -0.073 nan 8.370 nan 0.000 0.437 617 E N 1.106 121.309 120.200 0.005 0.000 2.473 617 E HA -0.012 4.342 4.350 0.006 0.000 0.204 617 E C -0.220 176.292 176.600 -0.148 0.000 0.994 617 E CA 0.069 56.396 56.400 -0.121 0.000 0.945 617 E CB -0.023 29.546 29.700 -0.219 0.000 0.990 617 E HN 0.490 nan 8.360 nan 0.000 0.493 618 H N 0.481 119.569 119.070 0.031 0.000 3.086 618 H HA 0.092 4.652 4.556 0.006 0.000 0.265 618 H C 1.082 176.440 175.328 0.050 0.000 1.092 618 H CA 0.350 56.417 56.048 0.031 0.000 1.487 618 H CB 0.442 30.214 29.762 0.018 0.000 1.514 618 H HN -0.088 nan 8.280 nan 0.000 0.497 619 S N 1.004 116.780 115.700 0.126 0.000 2.559 619 S HA 0.041 4.515 4.470 0.006 0.000 0.226 619 S C 1.442 176.090 174.600 0.081 0.000 1.000 619 S CA -0.261 58.019 58.200 0.134 0.000 0.948 619 S CB 0.110 63.401 63.200 0.151 0.000 0.870 619 S HN 0.341 nan 8.310 nan 0.000 0.497 620 V N 2.129 122.087 119.914 0.074 0.000 2.548 620 V HA 0.054 4.178 4.120 0.006 0.000 0.249 620 V C 2.681 178.796 176.094 0.034 0.000 1.055 620 V CA 1.998 64.323 62.300 0.042 0.000 1.065 620 V CB -1.219 30.635 31.823 0.052 0.000 0.681 620 V HN 0.638 nan 8.190 nan 0.000 0.462 621 G N -0.339 108.491 108.800 0.050 0.000 2.430 621 G HA2 -0.158 3.805 3.960 0.006 0.000 0.216 621 G HA3 -0.158 3.805 3.960 0.006 0.000 0.216 621 G C 1.491 176.405 174.900 0.024 0.000 1.146 621 G CA 0.621 45.743 45.100 0.037 0.000 0.793 621 G HN 0.419 nan 8.290 nan 0.000 0.537 622 L N 0.322 121.567 121.223 0.038 0.000 2.240 622 L HA 0.280 4.623 4.340 0.006 0.000 0.211 622 L C 2.584 179.431 176.870 -0.038 0.000 1.106 622 L CA 1.145 56.005 54.840 0.032 0.000 0.793 622 L CB -0.383 41.750 42.059 0.123 0.000 0.927 622 L HN 0.088 nan 8.230 nan 0.000 0.446 623 R N -0.979 119.477 120.500 -0.073 0.000 2.200 623 R HA 0.010 4.354 4.340 0.006 0.000 0.208 623 R C 1.945 178.198 176.300 -0.078 0.000 1.033 623 R CA 0.436 56.454 56.100 -0.137 0.000 1.000 623 R CB -0.011 30.189 30.300 -0.167 0.000 0.906 623 R HN 0.303 nan 8.270 nan 0.000 0.462 624 E N 0.460 120.645 120.200 -0.025 0.000 2.107 624 E HA -0.107 4.246 4.350 0.006 0.000 0.191 624 E C 1.697 178.301 176.600 0.006 0.000 0.982 624 E CA 1.459 57.869 56.400 0.016 0.000 0.809 624 E CB 0.199 29.934 29.700 0.058 0.000 0.756 624 E HN 0.247 nan 8.360 nan 0.000 0.459 625 V N -1.706 118.200 119.914 -0.014 0.000 3.620 625 V HA 0.167 4.290 4.120 0.006 0.000 0.286 625 V C 1.508 177.581 176.094 -0.036 0.000 1.288 625 V CA 0.455 62.741 62.300 -0.024 0.000 1.178 625 V CB -0.355 31.432 31.823 -0.060 0.000 0.986 625 V HN 0.067 nan 8.190 nan 0.000 0.431 626 I N -1.193 119.344 120.570 -0.055 0.000 4.398 626 I HA 0.278 4.451 4.170 0.006 0.000 0.310 626 I C 0.151 176.213 176.117 -0.091 0.000 1.232 626 I CA -0.022 61.238 61.300 -0.067 0.000 1.312 626 I CB 0.595 38.540 38.000 -0.091 0.000 1.347 626 I HN 0.217 nan 8.210 nan 0.000 0.454 627 D N 2.091 122.426 120.400 -0.108 0.000 2.350 627 D HA 0.111 4.754 4.640 0.006 0.000 0.249 627 D C 1.104 177.332 176.300 -0.120 0.000 1.119 627 D CA 0.190 54.116 54.000 -0.124 0.000 0.886 627 D CB 2.080 42.794 40.800 -0.144 0.000 1.195 627 D HN 0.141 nan 8.370 nan 0.000 0.437 628 I N 2.068 122.565 120.570 -0.123 0.000 2.493 628 I HA -0.280 3.893 4.170 0.006 0.000 0.254 628 I C 2.041 178.085 176.117 -0.122 0.000 1.160 628 I CA 1.175 62.400 61.300 -0.126 0.000 1.445 628 I CB 0.198 38.130 38.000 -0.112 0.000 1.086 628 I HN 0.231 nan 8.210 nan 0.000 0.433 629 K N 1.289 121.597 120.400 -0.154 0.000 2.000 629 K HA -0.285 4.039 4.320 0.006 0.000 0.218 629 K C 1.377 177.911 176.600 -0.110 0.000 1.053 629 K CA 2.275 58.443 56.287 -0.199 0.000 0.946 629 K CB -0.612 31.661 32.500 -0.379 0.000 0.723 629 K HN 0.564 nan 8.250 nan 0.000 0.446 630 H N -1.574 117.460 119.070 -0.060 0.000 2.568 630 H HA 0.278 4.838 4.556 0.006 0.000 0.302 630 H C 0.124 175.414 175.328 -0.064 0.000 1.065 630 H CA -0.174 55.844 56.048 -0.050 0.000 1.140 630 H CB 0.315 30.057 29.762 -0.034 0.000 1.474 630 H HN 0.580 nan 8.280 nan 0.000 0.545 631 G N 0.971 109.768 108.800 -0.004 0.000 2.248 631 G HA2 -0.229 3.734 3.960 0.006 0.000 0.263 631 G HA3 -0.229 3.734 3.960 0.006 0.000 0.263 631 G C 0.640 175.464 174.900 -0.126 0.000 1.082 631 G CA -0.110 44.933 45.100 -0.096 0.000 0.863 631 G HN 0.652 nan 8.290 nan 0.000 0.495 632 G N -0.424 108.310 108.800 -0.109 0.000 2.653 632 G HA2 0.543 4.506 3.960 0.006 0.000 0.265 632 G HA3 0.543 4.506 3.960 0.006 0.000 0.265 632 G C 1.421 176.237 174.900 -0.140 0.000 1.237 632 G CA -0.307 44.739 45.100 -0.089 0.000 0.946 632 G HN 1.291 nan 8.290 nan 0.000 0.522 633 I N -2.735 117.811 120.570 -0.040 0.000 3.456 633 I HA 0.181 4.354 4.170 0.006 0.000 0.291 633 I C 1.559 177.673 176.117 -0.005 0.000 1.307 633 I CA 0.786 62.112 61.300 0.044 0.000 1.333 633 I CB -0.023 38.061 38.000 0.141 0.000 1.032 633 I HN 0.564 nan 8.210 nan 0.000 0.506 634 E N 1.935 122.091 120.200 -0.075 0.000 2.158 634 E HA -0.174 4.180 4.350 0.006 0.000 0.191 634 E C 2.054 178.592 176.600 -0.103 0.000 0.982 634 E CA 0.442 56.802 56.400 -0.067 0.000 0.823 634 E CB 0.092 29.743 29.700 -0.081 0.000 0.766 634 E HN 0.476 nan 8.360 nan 0.000 0.468 635 K N -0.126 120.142 120.400 -0.220 0.000 2.360 635 K HA -0.163 4.161 4.320 0.006 0.000 0.201 635 K C 0.587 177.012 176.600 -0.292 0.000 1.046 635 K CA 1.015 57.117 56.287 -0.310 0.000 0.945 635 K CB 0.122 32.334 32.500 -0.479 0.000 0.750 635 K HN 0.205 nan 8.250 nan 0.000 0.464 636 Y N -0.804 119.494 120.300 -0.004 0.000 2.444 636 Y HA 0.259 4.813 4.550 0.006 0.000 0.249 636 Y C 1.156 177.056 175.900 -0.001 0.000 1.134 636 Y CA 0.012 58.112 58.100 -0.001 0.000 1.261 636 Y CB 1.000 39.462 38.460 0.002 0.000 1.143 636 Y HN 0.202 nan 8.280 nan 0.000 0.523 637 G N 0.673 109.537 108.800 0.106 0.000 2.203 637 G HA2 -0.202 3.761 3.960 0.006 0.000 0.231 637 G HA3 -0.202 3.761 3.960 0.006 0.000 0.231 637 G C -0.414 174.525 174.900 0.065 0.000 1.058 637 G CA 0.002 45.141 45.100 0.065 0.000 0.781 637 G HN 0.081 nan 8.290 nan 0.000 0.496 638 V N 0.286 120.244 119.914 0.073 0.000 2.607 638 V HA 0.405 4.528 4.120 0.006 0.000 0.289 638 V C 0.909 177.030 176.094 0.044 0.000 1.053 638 V CA -0.243 62.097 62.300 0.067 0.000 0.996 638 V CB 1.893 33.767 31.823 0.085 0.000 0.995 638 V HN 0.446 nan 8.190 nan 0.000 0.476 639 E N 3.717 123.949 120.200 0.053 0.000 1.963 639 E HA 0.311 4.664 4.350 0.006 0.000 0.274 639 E C -1.206 175.435 176.600 0.068 0.000 1.061 639 E CA -0.357 56.064 56.400 0.036 0.000 0.847 639 E CB 1.042 30.778 29.700 0.059 0.000 1.083 639 E HN 0.515 nan 8.360 nan 0.000 0.402 640 V N 5.752 125.679 119.914 0.022 0.000 2.383 640 V HA 0.114 4.237 4.120 0.006 0.000 0.275 640 V C 0.088 176.200 176.094 0.030 0.000 1.036 640 V CA -0.538 61.807 62.300 0.075 0.000 0.889 640 V CB 1.124 32.983 31.823 0.061 0.000 0.985 640 V HN 0.657 nan 8.190 nan 0.000 0.459 641 H N 4.949 124.074 119.070 0.090 0.000 2.818 641 H HA 0.186 4.746 4.556 0.006 0.000 0.269 641 H C -0.950 174.455 175.328 0.128 0.000 1.277 641 H CA -0.288 55.813 56.048 0.089 0.000 1.290 641 H CB 0.603 30.397 29.762 0.053 0.000 1.479 641 H HN 0.647 nan 8.280 nan 0.000 0.507 642 Y N 3.769 124.110 120.300 0.068 0.000 2.393 642 Y HA 0.031 4.585 4.550 0.006 0.000 0.338 642 Y C 0.651 176.582 175.900 0.051 0.000 1.029 642 Y CA -0.391 57.739 58.100 0.050 0.000 1.239 642 Y CB 0.530 39.001 38.460 0.018 0.000 1.170 642 Y HN 0.534 nan 8.280 nan 0.000 0.515 643 L N 5.273 126.227 121.223 -0.449 0.000 2.477 643 L HA 0.264 4.607 4.340 0.006 0.000 0.220 643 L C 1.242 177.837 176.870 -0.458 0.000 1.106 643 L CA 0.657 55.301 54.840 -0.327 0.000 0.851 643 L CB -0.717 41.225 42.059 -0.195 0.000 0.994 643 L HN 0.998 nan 8.230 nan 0.000 0.462 644 G N 0.529 108.724 108.800 -1.009 0.000 2.582 644 G HA2 -0.214 3.749 3.960 0.006 0.000 0.222 644 G HA3 -0.214 3.749 3.960 0.006 0.000 0.222 644 G C -0.066 174.636 174.900 -0.330 0.000 1.311 644 G CA -0.325 44.419 45.100 -0.593 0.000 0.915 644 G HN 0.200 nan 8.290 nan 0.000 0.528 645 T N -2.721 111.772 114.554 -0.102 0.000 2.849 645 T HA 0.617 4.970 4.350 0.006 0.000 0.276 645 T C 1.207 175.885 174.700 -0.037 0.000 0.971 645 T CA 1.011 63.092 62.100 -0.032 0.000 0.949 645 T CB 1.267 70.144 68.868 0.014 0.000 1.093 645 T HN 2.270 nan 8.240 nan 0.000 0.545 646 S N -0.462 115.233 115.700 -0.009 0.000 3.405 646 S HA -0.121 4.353 4.470 0.006 0.000 0.378 646 S C 0.251 174.841 174.600 -0.016 0.000 1.012 646 S CA 0.208 58.405 58.200 -0.004 0.000 1.144 646 S CB -1.691 61.508 63.200 -0.003 0.000 0.903 646 S HN 0.686 nan 8.310 nan 0.000 0.470 647 V N 2.397 122.293 119.914 -0.029 0.000 2.555 647 V HA 0.189 4.312 4.120 0.006 0.000 0.286 647 V C -1.676 174.411 176.094 -0.012 0.000 1.044 647 V CA -1.512 60.768 62.300 -0.033 0.000 1.026 647 V CB 0.859 32.649 31.823 -0.055 0.000 0.981 647 V HN 0.137 nan 8.190 nan 0.000 0.480 648 P HA 0.034 nan 4.420 nan 0.000 0.265 648 P C 0.786 178.088 177.300 0.003 0.000 1.193 648 P CA -0.024 63.076 63.100 0.001 0.000 0.765 648 P CB 0.477 32.176 31.700 -0.001 0.000 0.823 649 V N 2.166 122.086 119.914 0.011 0.000 3.362 649 V HA -0.191 3.932 4.120 0.006 0.000 0.275 649 V C 1.768 177.869 176.094 0.012 0.000 1.208 649 V CA 1.755 64.064 62.300 0.015 0.000 1.195 649 V CB -1.491 30.344 31.823 0.022 0.000 0.843 649 V HN 0.678 nan 8.190 nan 0.000 0.556 650 E N 0.272 120.476 120.200 0.006 0.000 2.207 650 E HA -0.015 4.339 4.350 0.006 0.000 0.197 650 E C 2.216 178.815 176.600 -0.002 0.000 0.914 650 E CA 0.095 56.497 56.400 0.003 0.000 0.914 650 E CB 0.001 29.702 29.700 0.002 0.000 0.893 650 E HN 0.415 nan 8.360 nan 0.000 0.479 651 K N 0.722 121.119 120.400 -0.005 0.000 2.160 651 K HA -0.188 4.136 4.320 0.006 0.000 0.206 651 K C 2.063 178.656 176.600 -0.012 0.000 1.047 651 K CA 1.276 57.557 56.287 -0.010 0.000 0.930 651 K CB -0.088 32.403 32.500 -0.015 0.000 0.720 651 K HN 0.169 nan 8.250 nan 0.000 0.450 652 L N 0.365 121.582 121.223 -0.009 0.000 2.313 652 L HA -0.037 4.306 4.340 0.006 0.000 0.214 652 L C 1.574 178.445 176.870 0.002 0.000 1.119 652 L CA 1.012 55.848 54.840 -0.006 0.000 0.809 652 L CB 0.180 42.238 42.059 -0.001 0.000 0.933 652 L HN -0.036 nan 8.230 nan 0.000 0.449 653 V N -0.300 119.616 119.914 0.003 0.000 2.488 653 V HA -0.182 3.941 4.120 0.006 0.000 0.246 653 V C 1.934 178.025 176.094 -0.005 0.000 1.046 653 V CA 1.813 64.116 62.300 0.004 0.000 1.053 653 V CB -0.729 31.097 31.823 0.005 0.000 0.679 653 V HN 0.427 nan 8.190 nan 0.000 0.458 654 D N 1.354 121.749 120.400 -0.009 0.000 2.103 654 D HA -0.053 4.591 4.640 0.006 0.000 0.199 654 D C 2.179 178.464 176.300 -0.024 0.000 0.978 654 D CA 1.298 55.289 54.000 -0.015 0.000 0.829 654 D CB -0.393 40.400 40.800 -0.013 0.000 0.981 654 D HN 0.384 nan 8.370 nan 0.000 0.464 655 A N 0.786 123.590 122.820 -0.026 0.000 2.148 655 A HA -0.134 4.189 4.320 0.006 0.000 0.222 655 A C 2.146 179.691 177.584 -0.065 0.000 1.161 655 A CA 1.845 53.855 52.037 -0.045 0.000 0.662 655 A CB -0.750 18.230 19.000 -0.034 0.000 0.799 655 A HN 0.280 nan 8.150 nan 0.000 0.466 656 A N -0.247 122.550 122.820 -0.039 0.000 2.021 656 A HA 0.172 4.496 4.320 0.006 0.000 0.216 656 A C 1.960 179.521 177.584 -0.039 0.000 1.163 656 A CA 1.143 53.160 52.037 -0.034 0.000 0.676 656 A CB -0.343 18.654 19.000 -0.005 0.000 0.818 656 A HN 0.617 nan 8.150 nan 0.000 0.453 657 I N -1.586 118.964 120.570 -0.033 0.000 2.927 657 I HA 0.164 4.338 4.170 0.006 0.000 0.268 657 I C 2.150 178.244 176.117 -0.039 0.000 1.153 657 I CA 0.899 62.181 61.300 -0.030 0.000 1.459 657 I CB -0.802 37.187 38.000 -0.020 0.000 1.149 657 I HN 0.275 nan 8.210 nan 0.000 0.443 658 E N 2.414 122.589 120.200 -0.043 0.000 2.405 658 E HA 0.231 4.585 4.350 0.006 0.000 0.194 658 E C 1.256 177.811 176.600 -0.075 0.000 1.149 658 E CA 0.620 56.994 56.400 -0.044 0.000 0.933 658 E CB -0.827 28.853 29.700 -0.034 0.000 1.028 658 E HN 0.681 nan 8.360 nan 0.000 0.487 659 L N -1.266 119.897 121.223 -0.101 0.000 4.114 659 L HA 0.124 4.467 4.340 0.006 0.000 0.398 659 L C 0.263 177.063 176.870 -0.116 0.000 1.159 659 L CA 0.182 54.922 54.840 -0.165 0.000 1.399 659 L CB 0.507 42.341 42.059 -0.375 0.000 1.605 659 L HN 0.382 nan 8.230 nan 0.000 0.629 660 K N -0.053 120.307 120.400 -0.067 0.000 3.451 660 K HA -0.193 4.130 4.320 0.006 0.000 0.273 660 K C 0.015 176.592 176.600 -0.037 0.000 0.944 660 K CA 0.694 56.958 56.287 -0.039 0.000 0.734 660 K CB -1.978 30.509 32.500 -0.021 0.000 1.437 660 K HN 0.211 nan 8.250 nan 0.000 0.454 661 A N 1.274 124.066 122.820 -0.046 0.000 2.450 661 A HA 0.201 4.525 4.320 0.006 0.000 0.255 661 A C 0.591 178.177 177.584 0.003 0.000 1.096 661 A CA 0.020 52.040 52.037 -0.028 0.000 0.778 661 A CB 0.378 19.359 19.000 -0.032 0.000 1.031 661 A HN 0.474 nan 8.150 nan 0.000 0.494 662 D N 1.287 121.698 120.400 0.018 0.000 2.120 662 D HA 0.281 4.925 4.640 0.006 0.000 0.202 662 D C 0.787 177.112 176.300 0.041 0.000 0.972 662 D CA 1.980 55.994 54.000 0.023 0.000 0.837 662 D CB 0.117 40.929 40.800 0.019 0.000 0.989 662 D HN 0.724 nan 8.370 nan 0.000 0.469 663 A N 0.129 122.985 122.820 0.061 0.000 2.371 663 A HA 0.602 4.925 4.320 0.006 0.000 0.311 663 A C -0.965 176.682 177.584 0.104 0.000 1.068 663 A CA -0.581 51.516 52.037 0.099 0.000 0.744 663 A CB 1.104 20.179 19.000 0.125 0.000 1.239 663 A HN 0.080 nan 8.150 nan 0.000 0.435 664 I N 3.372 124.012 120.570 0.117 0.000 2.307 664 I HA 0.208 4.381 4.170 0.006 0.000 0.287 664 I C -0.825 175.373 176.117 0.135 0.000 1.054 664 I CA -0.048 61.316 61.300 0.108 0.000 1.218 664 I CB 0.628 38.682 38.000 0.090 0.000 1.398 664 I HN 0.454 nan 8.210 nan 0.000 0.475 665 L N 6.677 127.978 121.223 0.130 0.000 2.272 665 L HA 0.577 4.920 4.340 0.006 0.000 0.284 665 L C 0.415 177.349 176.870 0.106 0.000 1.045 665 L CA -0.350 54.566 54.840 0.127 0.000 0.842 665 L CB 1.051 43.180 42.059 0.117 0.000 1.224 665 L HN 0.602 nan 8.230 nan 0.000 0.430 666 A N 2.559 125.439 122.820 0.100 0.000 2.312 666 A HA 0.670 4.993 4.320 0.006 0.000 0.326 666 A C -0.158 177.476 177.584 0.083 0.000 1.172 666 A CA -0.378 51.710 52.037 0.085 0.000 0.821 666 A CB 1.606 20.651 19.000 0.075 0.000 1.166 666 A HN 0.523 nan 8.150 nan 0.000 0.493 667 S N 0.500 116.249 115.700 0.082 0.000 2.473 667 S HA 0.665 5.139 4.470 0.006 0.000 0.307 667 S C -0.634 174.007 174.600 0.067 0.000 1.094 667 S CA -0.250 57.996 58.200 0.077 0.000 1.070 667 S CB 1.180 64.436 63.200 0.093 0.000 1.019 667 S HN 0.859 nan 8.310 nan 0.000 0.480 668 T N 6.679 121.263 114.554 0.049 0.000 3.103 668 T HA 0.343 4.696 4.350 0.006 0.000 0.352 668 T C 0.883 175.577 174.700 -0.011 0.000 1.048 668 T CA -0.567 61.557 62.100 0.041 0.000 1.175 668 T CB -0.141 68.759 68.868 0.053 0.000 1.029 668 T HN 0.559 nan 8.240 nan 0.000 0.498 669 I N 2.948 123.502 120.570 -0.027 0.000 2.185 669 I HA 0.166 4.339 4.170 0.006 0.000 0.235 669 I C 1.556 177.539 176.117 -0.223 0.000 1.069 669 I CA 0.650 61.868 61.300 -0.135 0.000 1.354 669 I CB -0.544 37.348 38.000 -0.179 0.000 1.093 669 I HN 0.585 nan 8.210 nan 0.000 0.411 670 I N 2.067 122.526 120.570 -0.184 0.000 2.826 670 I HA -0.183 3.991 4.170 0.006 0.000 0.295 670 I C 1.089 177.118 176.117 -0.146 0.000 1.213 670 I CA 0.662 61.876 61.300 -0.142 0.000 1.436 670 I CB 0.549 38.552 38.000 0.004 0.000 1.348 670 I HN 0.338 nan 8.210 nan 0.000 0.570 671 S N 3.500 119.081 115.700 -0.199 0.000 2.780 671 S HA 0.038 4.512 4.470 0.006 0.000 0.248 671 S C 0.190 174.793 174.600 0.005 0.000 1.036 671 S CA -0.550 57.448 58.200 -0.337 0.000 1.061 671 S CB -0.312 62.367 63.200 -0.867 0.000 1.037 671 S HN 0.753 nan 8.310 nan 0.000 0.584 672 H N 2.599 121.657 119.070 -0.019 0.000 3.107 672 H HA 0.268 4.828 4.556 0.006 0.000 0.301 672 H C 0.841 176.213 175.328 0.073 0.000 0.981 672 H CA 1.684 57.746 56.048 0.025 0.000 1.443 672 H CB -0.010 29.760 29.762 0.014 0.000 1.479 672 H HN 0.222 nan 8.280 nan 0.000 0.564 673 D N 2.776 122.943 120.400 -0.389 0.000 2.439 673 D HA -0.237 4.407 4.640 0.006 0.000 0.172 673 D C -0.260 175.984 176.300 -0.093 0.000 1.026 673 D CA 1.661 55.432 54.000 -0.382 0.000 1.043 673 D CB -1.078 39.304 40.800 -0.697 0.000 1.098 673 D HN 0.913 nan 8.370 nan 0.000 0.467 674 D N -1.550 118.884 120.400 0.057 0.000 3.062 674 D HA -0.192 4.451 4.640 0.006 0.000 0.216 674 D C 0.990 177.319 176.300 0.048 0.000 1.097 674 D CA 0.880 54.963 54.000 0.138 0.000 0.858 674 D CB -1.644 39.205 40.800 0.082 0.000 1.092 674 D HN 0.493 nan 8.370 nan 0.000 0.438 675 I N 0.135 120.746 120.570 0.070 0.000 3.176 675 I HA -0.130 4.043 4.170 0.006 0.000 0.275 675 I C 1.977 178.133 176.117 0.066 0.000 1.298 675 I CA 1.410 62.739 61.300 0.048 0.000 1.445 675 I CB 0.002 38.032 38.000 0.051 0.000 1.075 675 I HN 0.390 nan 8.210 nan 0.000 0.482 676 H N -2.005 117.040 119.070 -0.041 0.000 2.516 676 H HA 0.015 4.574 4.556 0.006 0.000 0.284 676 H C 1.224 176.472 175.328 -0.133 0.000 0.999 676 H CA 0.856 56.839 56.048 -0.108 0.000 1.303 676 H CB -0.719 28.925 29.762 -0.197 0.000 1.452 676 H HN 0.343 nan 8.280 nan 0.000 0.530 677 Y N 1.978 121.839 120.300 -0.732 0.000 2.420 677 Y HA 0.121 4.675 4.550 0.006 0.000 0.292 677 Y C 2.501 178.277 175.900 -0.207 0.000 1.119 677 Y CA 0.507 58.323 58.100 -0.474 0.000 1.229 677 Y CB 0.256 38.414 38.460 -0.503 0.000 1.026 677 Y HN 0.106 nan 8.280 nan 0.000 0.554 678 K N -0.002 120.391 120.400 -0.012 0.000 1.985 678 K HA -0.173 4.151 4.320 0.006 0.000 0.210 678 K C 1.792 178.403 176.600 0.018 0.000 1.047 678 K CA 1.394 57.685 56.287 0.007 0.000 0.932 678 K CB -0.279 32.223 32.500 0.003 0.000 0.716 678 K HN 0.163 nan 8.250 nan 0.000 0.439 679 N N 0.967 119.675 118.700 0.014 0.000 2.133 679 N HA -0.218 4.525 4.740 0.006 0.000 0.193 679 N C 1.714 177.248 175.510 0.040 0.000 1.012 679 N CA 1.667 54.734 53.050 0.028 0.000 0.871 679 N CB -0.186 38.319 38.487 0.030 0.000 1.011 679 N HN 0.262 nan 8.380 nan 0.000 0.435 680 M N 0.377 120.000 119.600 0.037 0.000 2.086 680 M HA -0.137 4.346 4.480 0.006 0.000 0.261 680 M C 2.164 178.511 176.300 0.078 0.000 1.067 680 M CA 1.406 56.739 55.300 0.055 0.000 1.116 680 M CB -0.269 32.362 32.600 0.053 0.000 1.348 680 M HN -0.013 nan 8.290 nan 0.000 0.407 681 K N 0.297 120.738 120.400 0.068 0.000 2.288 681 K HA -0.067 4.256 4.320 0.006 0.000 0.201 681 K C 1.981 178.651 176.600 0.115 0.000 1.048 681 K CA 0.941 57.286 56.287 0.098 0.000 0.956 681 K CB 0.158 32.693 32.500 0.058 0.000 0.746 681 K HN 0.189 nan 8.250 nan 0.000 0.461 682 R N 0.157 120.702 120.500 0.075 0.000 2.073 682 R HA 0.025 4.369 4.340 0.006 0.000 0.229 682 R C 1.248 177.587 176.300 0.065 0.000 1.120 682 R CA 1.165 57.300 56.100 0.058 0.000 0.967 682 R CB -0.101 30.222 30.300 0.039 0.000 0.862 682 R HN 0.190 nan 8.270 nan 0.000 0.436 683 I N 0.396 121.014 120.570 0.080 0.000 3.699 683 I HA -0.030 4.144 4.170 0.006 0.000 0.306 683 I C 0.876 177.080 176.117 0.146 0.000 1.320 683 I CA 0.527 61.879 61.300 0.086 0.000 1.220 683 I CB -0.201 37.845 38.000 0.078 0.000 1.075 683 I HN 0.223 nan 8.210 nan 0.000 0.437 684 H N -0.505 118.582 119.070 0.028 0.000 3.899 684 H HA 0.180 4.739 4.556 0.006 0.000 0.260 684 H C 1.465 176.805 175.328 0.021 0.000 1.122 684 H CA 0.251 56.316 56.048 0.029 0.000 1.165 684 H CB 0.721 30.501 29.762 0.030 0.000 1.503 684 H HN 0.201 nan 8.280 nan 0.000 0.671 685 E N 0.225 120.419 120.200 -0.008 0.000 2.290 685 E HA 0.125 4.478 4.350 0.006 0.000 0.197 685 E C 0.920 177.493 176.600 -0.045 0.000 0.948 685 E CA 0.160 56.527 56.400 -0.055 0.000 0.895 685 E CB 0.702 30.409 29.700 0.012 0.000 0.865 685 E HN 0.354 nan 8.360 nan 0.000 0.486 686 L N 0.792 122.005 121.223 -0.017 0.000 2.693 686 L HA 0.058 4.401 4.340 0.006 0.000 0.242 686 L C 1.580 178.434 176.870 -0.027 0.000 1.157 686 L CA 0.036 54.867 54.840 -0.015 0.000 0.929 686 L CB 0.003 42.063 42.059 0.001 0.000 1.103 686 L HN 0.116 nan 8.230 nan 0.000 0.430 687 A N -1.591 121.194 122.820 -0.058 0.000 2.066 687 A HA 0.133 4.457 4.320 0.006 0.000 0.198 687 A C 1.747 179.275 177.584 -0.094 0.000 1.405 687 A CA 0.100 52.099 52.037 -0.064 0.000 0.973 687 A CB 0.246 19.214 19.000 -0.053 0.000 1.026 687 A HN 0.085 nan 8.150 nan 0.000 0.474 688 V N 0.742 120.569 119.914 -0.146 0.000 3.129 688 V HA -0.089 4.035 4.120 0.006 0.000 0.259 688 V C 2.169 178.221 176.094 -0.070 0.000 1.116 688 V CA 1.732 63.960 62.300 -0.121 0.000 1.127 688 V CB -0.180 31.546 31.823 -0.161 0.000 0.742 688 V HN 0.732 nan 8.190 nan 0.000 0.474 689 E N 0.587 120.751 120.200 -0.059 0.000 2.208 689 E HA -0.165 4.188 4.350 0.006 0.000 0.193 689 E C 1.350 177.933 176.600 -0.028 0.000 0.988 689 E CA 0.681 57.059 56.400 -0.036 0.000 0.828 689 E CB 0.220 29.903 29.700 -0.029 0.000 0.763 689 E HN 0.346 nan 8.360 nan 0.000 0.478 690 K N -0.045 120.337 120.400 -0.030 0.000 2.410 690 K HA 0.134 4.458 4.320 0.006 0.000 0.200 690 K C 0.474 177.061 176.600 -0.021 0.000 1.023 690 K CA 0.509 56.784 56.287 -0.021 0.000 1.149 690 K CB 0.388 32.878 32.500 -0.018 0.000 0.859 690 K HN 0.229 nan 8.250 nan 0.000 0.514 691 G N 2.750 111.535 108.800 -0.026 0.000 2.371 691 G HA2 -0.234 3.729 3.960 0.006 0.000 0.299 691 G HA3 -0.234 3.729 3.960 0.006 0.000 0.299 691 G C 0.519 175.409 174.900 -0.016 0.000 1.014 691 G CA 0.794 45.881 45.100 -0.022 0.000 1.097 691 G HN 0.535 nan 8.290 nan 0.000 0.512 692 I N -3.700 116.860 120.570 -0.018 0.000 4.541 692 I HA 0.392 4.565 4.170 0.006 0.000 0.337 692 I C 1.510 177.626 176.117 -0.001 0.000 1.338 692 I CA -0.567 60.728 61.300 -0.008 0.000 1.244 692 I CB 0.354 38.351 38.000 -0.005 0.000 1.417 692 I HN 0.051 nan 8.210 nan 0.000 0.501 693 R N 2.859 123.352 120.500 -0.012 0.000 2.346 693 R HA -0.035 4.309 4.340 0.006 0.000 0.208 693 R C 1.165 177.479 176.300 0.024 0.000 1.052 693 R CA 1.250 57.349 56.100 -0.002 0.000 1.116 693 R CB -0.556 29.713 30.300 -0.051 0.000 1.003 693 R HN 0.663 nan 8.270 nan 0.000 0.482 694 D N -2.319 118.093 120.400 0.019 0.000 2.454 694 D HA -0.001 4.643 4.640 0.006 0.000 0.219 694 D C 0.705 177.018 176.300 0.021 0.000 1.081 694 D CA 0.204 54.218 54.000 0.022 0.000 0.867 694 D CB 0.214 41.022 40.800 0.013 0.000 1.054 694 D HN 0.137 nan 8.370 nan 0.000 0.500 695 K N -0.015 120.395 120.400 0.018 0.000 2.435 695 K HA 0.356 4.679 4.320 0.006 0.000 0.199 695 K C 0.671 177.283 176.600 0.021 0.000 1.153 695 K CA -0.216 56.079 56.287 0.014 0.000 0.974 695 K CB 1.695 34.199 32.500 0.007 0.000 0.997 695 K HN 0.034 nan 8.250 nan 0.000 0.547 696 I N 2.401 122.990 120.570 0.032 0.000 2.416 696 I HA 0.158 4.332 4.170 0.006 0.000 0.288 696 I C -0.733 175.433 176.117 0.081 0.000 1.051 696 I CA -0.259 61.069 61.300 0.048 0.000 1.375 696 I CB 0.611 38.636 38.000 0.041 0.000 1.407 696 I HN 0.063 nan 8.210 nan 0.000 0.516 697 M N 8.441 128.102 119.600 0.101 0.000 2.238 697 M HA 0.466 4.950 4.480 0.006 0.000 0.350 697 M C -0.893 175.548 176.300 0.234 0.000 1.138 697 M CA -0.449 54.953 55.300 0.170 0.000 1.040 697 M CB 1.675 34.357 32.600 0.137 0.000 1.639 697 M HN 0.368 nan 8.290 nan 0.000 0.451 698 I N 2.268 122.997 120.570 0.265 0.000 2.382 698 I HA 0.539 4.713 4.170 0.006 0.000 0.285 698 I C 0.399 176.654 176.117 0.230 0.000 1.007 698 I CA -0.546 60.893 61.300 0.231 0.000 1.142 698 I CB 1.510 39.630 38.000 0.199 0.000 1.289 698 I HN 0.765 nan 8.210 nan 0.000 0.453 699 G N 4.404 113.343 108.800 0.233 0.000 2.471 699 G HA2 0.691 4.654 3.960 0.006 0.000 0.332 699 G HA3 0.691 4.654 3.960 0.006 0.000 0.332 699 G C -1.372 173.629 174.900 0.168 0.000 1.176 699 G CA -0.376 44.825 45.100 0.168 0.000 0.949 699 G HN 0.630 nan 8.290 nan 0.000 0.488 700 C N -0.760 118.660 119.300 0.200 0.000 2.891 700 C HA 0.840 5.304 4.460 0.006 0.000 0.342 700 C C 0.572 175.693 174.990 0.218 0.000 1.126 700 C CA -0.162 58.951 59.018 0.158 0.000 1.322 700 C CB 1.345 29.138 27.740 0.088 0.000 1.763 700 C HN 1.122 nan 8.230 nan 0.000 0.491 701 G N 0.607 109.501 108.800 0.156 0.000 2.788 701 G HA2 0.919 4.883 3.960 0.006 0.000 0.293 701 G HA3 0.919 4.883 3.960 0.006 0.000 0.293 701 G C -0.556 174.378 174.900 0.056 0.000 1.305 701 G CA -0.127 45.061 45.100 0.146 0.000 1.005 701 G HN 1.644 nan 8.290 nan 0.000 0.496 702 G N -2.068 106.749 108.800 0.028 0.000 2.322 702 G HA2 0.424 4.387 3.960 0.006 0.000 0.289 702 G HA3 0.424 4.387 3.960 0.006 0.000 0.289 702 G C 0.380 175.245 174.900 -0.059 0.000 1.687 702 G CA 0.419 45.494 45.100 -0.041 0.000 0.944 702 G HN 0.824 nan 8.290 nan 0.000 0.718 703 T N 0.673 115.173 114.554 -0.090 0.000 2.788 703 T HA -0.090 4.264 4.350 0.006 0.000 0.268 703 T C 1.306 175.954 174.700 -0.086 0.000 1.044 703 T CA 1.419 63.474 62.100 -0.075 0.000 1.139 703 T CB -0.052 68.763 68.868 -0.088 0.000 0.867 703 T HN 0.412 nan 8.240 nan 0.000 0.454 704 Q N 1.442 121.142 119.800 -0.167 0.000 3.041 704 Q HA 0.437 4.780 4.340 0.006 0.000 0.372 704 Q C -1.014 174.911 176.000 -0.125 0.000 1.241 704 Q CA -0.032 55.672 55.803 -0.165 0.000 1.010 704 Q CB 0.172 28.735 28.738 -0.291 0.000 1.467 704 Q HN 0.266 nan 8.270 nan 0.000 0.462 705 V N 0.748 120.645 119.914 -0.028 0.000 2.623 705 V HA 0.380 4.504 4.120 0.006 0.000 0.304 705 V C -0.250 175.909 176.094 0.108 0.000 1.054 705 V CA -0.599 61.724 62.300 0.038 0.000 0.882 705 V CB 2.357 34.158 31.823 -0.037 0.000 1.002 705 V HN 0.228 nan 8.190 nan 0.000 0.424 706 T N 6.817 121.499 114.554 0.213 0.000 2.767 706 T HA 0.323 4.677 4.350 0.006 0.000 0.284 706 T C -2.098 172.617 174.700 0.025 0.000 0.973 706 T CA -1.454 60.699 62.100 0.089 0.000 0.996 706 T CB 1.843 70.758 68.868 0.077 0.000 0.927 706 T HN 0.397 nan 8.240 nan 0.000 0.456 707 P HA 0.005 nan 4.420 nan 0.000 0.234 707 P C 0.608 177.823 177.300 -0.140 0.000 1.162 707 P CA 0.801 63.794 63.100 -0.178 0.000 0.759 707 P CB 0.273 31.831 31.700 -0.238 0.000 0.813 708 E N -2.223 117.928 120.200 -0.082 0.000 2.364 708 E HA 0.039 4.392 4.350 0.006 0.000 0.203 708 E C 1.672 178.221 176.600 -0.085 0.000 0.888 708 E CA 0.144 56.495 56.400 -0.082 0.000 0.989 708 E CB -0.365 29.294 29.700 -0.068 0.000 0.985 708 E HN -0.082 nan 8.360 nan 0.000 0.499 709 V N 0.655 120.521 119.914 -0.080 0.000 2.649 709 V HA -0.030 4.093 4.120 0.006 0.000 0.248 709 V C 2.040 178.062 176.094 -0.120 0.000 1.054 709 V CA 1.579 63.778 62.300 -0.167 0.000 1.073 709 V CB -0.165 31.457 31.823 -0.336 0.000 0.699 709 V HN 0.315 nan 8.190 nan 0.000 0.463 710 A N -0.206 122.643 122.820 0.050 0.000 1.872 710 A HA -0.125 4.198 4.320 0.006 0.000 0.214 710 A C 2.355 179.911 177.584 -0.046 0.000 1.187 710 A CA 1.664 53.757 52.037 0.093 0.000 0.614 710 A CB -0.722 18.340 19.000 0.103 0.000 0.826 710 A HN 0.263 nan 8.150 nan 0.000 0.442 711 V N 0.304 120.162 119.914 -0.094 0.000 2.439 711 V HA -0.235 3.888 4.120 0.006 0.000 0.253 711 V C 1.499 177.527 176.094 -0.111 0.000 1.074 711 V CA 2.203 64.433 62.300 -0.117 0.000 1.076 711 V CB -0.609 31.142 31.823 -0.121 0.000 0.664 711 V HN 0.527 nan 8.190 nan 0.000 0.461 712 K N -0.322 120.014 120.400 -0.107 0.000 2.811 712 K HA 0.177 4.500 4.320 0.006 0.000 0.217 712 K C 0.972 177.499 176.600 -0.121 0.000 1.115 712 K CA -0.154 56.067 56.287 -0.110 0.000 1.179 712 K CB 0.434 32.874 32.500 -0.101 0.000 0.994 712 K HN 0.338 nan 8.250 nan 0.000 0.464 713 Q N -0.950 118.768 119.800 -0.135 0.000 2.317 713 Q HA 0.133 4.477 4.340 0.006 0.000 0.220 713 Q C 1.250 177.110 176.000 -0.233 0.000 0.873 713 Q CA 0.695 56.422 55.803 -0.127 0.000 0.936 713 Q CB 1.602 30.299 28.738 -0.068 0.000 1.105 713 Q HN 0.591 nan 8.270 nan 0.000 0.520 714 G N 0.603 109.172 108.800 -0.385 0.000 2.617 714 G HA2 -0.237 3.726 3.960 0.006 0.000 0.197 714 G HA3 -0.237 3.726 3.960 0.006 0.000 0.197 714 G C 0.341 174.652 174.900 -0.982 0.000 1.017 714 G CA -0.002 44.555 45.100 -0.905 0.000 0.713 714 G HN 0.297 nan 8.290 nan 0.000 0.481 715 V N -0.070 119.507 119.914 -0.563 0.000 2.963 715 V HA 0.471 4.595 4.120 0.006 0.000 0.306 715 V C 0.974 177.017 176.094 -0.085 0.000 1.077 715 V CA 0.894 63.081 62.300 -0.188 0.000 1.124 715 V CB 1.168 32.959 31.823 -0.053 0.000 0.987 715 V HN 0.256 nan 8.190 nan 0.000 0.487 716 D N 2.657 123.083 120.400 0.042 0.000 2.349 716 D HA 0.414 5.058 4.640 0.006 0.000 0.224 716 D C 0.572 176.884 176.300 0.019 0.000 1.029 716 D CA 1.333 55.394 54.000 0.102 0.000 0.879 716 D CB 0.838 41.802 40.800 0.273 0.000 0.906 716 D HN 1.016 nan 8.370 nan 0.000 0.528 717 A N -0.102 122.625 122.820 -0.155 0.000 2.522 717 A HA 0.600 4.924 4.320 0.006 0.000 0.291 717 A C -0.950 176.354 177.584 -0.466 0.000 1.039 717 A CA -0.323 51.458 52.037 -0.426 0.000 0.643 717 A CB 1.152 19.649 19.000 -0.839 0.000 1.310 717 A HN 0.113 nan 8.150 nan 0.000 0.436 718 G N -1.042 107.310 108.800 -0.747 0.000 2.672 718 G HA2 0.804 4.767 3.960 0.006 0.000 0.292 718 G HA3 0.804 4.767 3.960 0.006 0.000 0.292 718 G C -1.664 172.654 174.900 -0.971 0.000 1.375 718 G CA -0.570 44.203 45.100 -0.546 0.000 0.890 718 G HN 0.860 nan 8.290 nan 0.000 0.476 719 F N -0.259 119.640 119.950 -0.085 0.000 2.588 719 F HA 0.676 5.206 4.527 0.006 0.000 0.314 719 F C 0.680 176.447 175.800 -0.054 0.000 1.134 719 F CA -0.397 57.554 58.000 -0.081 0.000 0.961 719 F CB 2.480 41.435 39.000 -0.074 0.000 1.239 719 F HN 0.820 nan 8.300 nan 0.000 0.448 720 G N 1.233 110.089 108.800 0.093 0.000 3.175 720 G HA2 0.469 4.432 3.960 0.006 0.000 0.153 720 G HA3 0.469 4.432 3.960 0.006 0.000 0.153 720 G C -0.759 174.163 174.900 0.036 0.000 1.216 720 G CA -1.073 44.052 45.100 0.042 0.000 0.943 720 G HN 0.459 nan 8.290 nan 0.000 0.611 721 R N 0.382 120.889 120.500 0.013 0.000 2.343 721 R HA 0.413 4.756 4.340 0.006 0.000 0.326 721 R C 0.663 176.974 176.300 0.019 0.000 1.055 721 R CA 0.982 57.089 56.100 0.012 0.000 0.961 721 R CB 0.306 30.607 30.300 0.002 0.000 0.978 721 R HN 1.112 nan 8.270 nan 0.000 0.443 722 G N 2.035 110.855 108.800 0.034 0.000 2.145 722 G HA2 -0.235 3.729 3.960 0.006 0.000 0.176 722 G HA3 -0.235 3.729 3.960 0.006 0.000 0.176 722 G C -0.142 174.815 174.900 0.096 0.000 1.013 722 G CA -0.524 44.607 45.100 0.052 0.000 0.689 722 G HN 0.495 nan 8.290 nan 0.000 0.506 723 S N 1.326 117.086 115.700 0.100 0.000 2.465 723 S HA 0.290 4.763 4.470 0.006 0.000 0.307 723 S C 0.885 175.607 174.600 0.203 0.000 1.187 723 S CA 0.096 58.397 58.200 0.168 0.000 1.141 723 S CB 1.118 64.391 63.200 0.121 0.000 1.108 723 S HN 0.478 nan 8.310 nan 0.000 0.525 724 K N 1.747 122.362 120.400 0.359 0.000 2.149 724 K HA 0.166 4.489 4.320 0.006 0.000 0.245 724 K C 1.694 178.372 176.600 0.131 0.000 1.024 724 K CA 0.048 56.441 56.287 0.177 0.000 0.899 724 K CB 0.291 32.830 32.500 0.065 0.000 1.038 724 K HN 0.636 nan 8.250 nan 0.000 0.496 725 G N 1.501 110.339 108.800 0.063 0.000 2.404 725 G HA2 -0.242 3.721 3.960 0.006 0.000 0.215 725 G HA3 -0.242 3.721 3.960 0.006 0.000 0.215 725 G C 1.310 176.304 174.900 0.156 0.000 1.174 725 G CA 0.757 45.896 45.100 0.065 0.000 0.780 725 G HN 0.648 nan 8.290 nan 0.000 0.537 726 I N 0.571 121.225 120.570 0.140 0.000 2.479 726 I HA -0.221 3.952 4.170 0.006 0.000 0.258 726 I C 2.273 178.420 176.117 0.051 0.000 1.165 726 I CA 1.463 62.873 61.300 0.184 0.000 1.422 726 I CB -0.371 37.662 38.000 0.054 0.000 1.087 726 I HN 0.349 nan 8.210 nan 0.000 0.441 727 H N -0.980 118.192 119.070 0.170 0.000 2.307 727 H HA -0.023 4.536 4.556 0.006 0.000 0.303 727 H C 2.184 177.661 175.328 0.249 0.000 1.073 727 H CA 1.833 58.003 56.048 0.203 0.000 1.338 727 H CB -0.300 29.600 29.762 0.230 0.000 1.389 727 H HN 0.220 nan 8.280 nan 0.000 0.503 728 V N 0.897 120.950 119.914 0.232 0.000 2.688 728 V HA -0.258 3.865 4.120 0.006 0.000 0.256 728 V C 2.395 178.671 176.094 0.304 0.000 1.084 728 V CA 1.506 63.874 62.300 0.113 0.000 1.103 728 V CB -1.055 30.658 31.823 -0.184 0.000 0.688 728 V HN 0.534 nan 8.190 nan 0.000 0.480 729 A N -0.041 122.909 122.820 0.216 0.000 1.843 729 A HA -0.130 4.193 4.320 0.006 0.000 0.213 729 A C 2.391 179.994 177.584 0.031 0.000 1.202 729 A CA 1.960 54.053 52.037 0.093 0.000 0.607 729 A CB -1.134 17.845 19.000 -0.034 0.000 0.847 729 A HN 0.401 nan 8.150 nan 0.000 0.445 730 T N -0.050 114.535 114.554 0.051 0.000 2.649 730 T HA -0.261 4.092 4.350 0.006 0.000 0.268 730 T C 1.552 176.333 174.700 0.134 0.000 1.036 730 T CA 2.219 64.358 62.100 0.065 0.000 1.157 730 T CB -0.531 68.409 68.868 0.120 0.000 0.861 730 T HN 0.606 nan 8.240 nan 0.000 0.445 731 F N 0.890 120.915 119.950 0.123 0.000 2.325 731 F HA 0.109 4.639 4.527 0.006 0.000 0.299 731 F C 1.686 177.548 175.800 0.103 0.000 1.090 731 F CA 0.708 58.794 58.000 0.143 0.000 1.392 731 F CB -0.397 38.766 39.000 0.272 0.000 1.053 731 F HN 0.103 nan 8.300 nan 0.000 0.521 732 L N 0.460 121.458 121.223 -0.375 0.000 1.950 732 L HA -0.145 4.199 4.340 0.006 0.000 0.210 732 L C 2.831 179.523 176.870 -0.298 0.000 1.079 732 L CA 1.478 56.033 54.840 -0.475 0.000 0.754 732 L CB -1.142 40.823 42.059 -0.156 0.000 0.889 732 L HN 0.202 nan 8.230 nan 0.000 0.433 733 V N -2.020 117.795 119.914 -0.165 0.000 2.794 733 V HA -0.265 3.858 4.120 0.006 0.000 0.260 733 V C 2.137 178.166 176.094 -0.108 0.000 1.103 733 V CA 1.759 63.985 62.300 -0.122 0.000 1.125 733 V CB -0.639 31.118 31.823 -0.109 0.000 0.702 733 V HN 0.430 nan 8.190 nan 0.000 0.494 734 K N 0.134 120.465 120.400 -0.115 0.000 2.214 734 K HA 0.114 4.437 4.320 0.006 0.000 0.201 734 K C 1.894 178.445 176.600 -0.081 0.000 1.049 734 K CA 0.652 56.899 56.287 -0.067 0.000 0.978 734 K CB 0.028 32.522 32.500 -0.010 0.000 0.842 734 K HN 0.337 nan 8.250 nan 0.000 0.474 735 K N 1.342 121.644 120.400 -0.162 0.000 2.591 735 K HA 0.001 4.325 4.320 0.006 0.000 0.197 735 K C 1.400 177.916 176.600 -0.140 0.000 1.026 735 K CA 0.270 56.472 56.287 -0.141 0.000 1.127 735 K CB 0.118 32.493 32.500 -0.209 0.000 0.871 735 K HN -0.017 nan 8.250 nan 0.000 0.507 736 R N -0.820 119.605 120.500 -0.125 0.000 2.191 736 R HA 0.159 4.502 4.340 0.006 0.000 0.187 736 R C 1.330 177.598 176.300 -0.054 0.000 1.078 736 R CA 0.024 56.070 56.100 -0.091 0.000 1.139 736 R CB 0.105 30.343 30.300 -0.103 0.000 1.120 736 R HN 0.020 nan 8.270 nan 0.000 0.536 737 R N 0.671 121.140 120.500 -0.052 0.000 2.316 737 R HA -0.127 4.217 4.340 0.006 0.000 0.232 737 R C 1.937 178.223 176.300 -0.024 0.000 1.137 737 R CA 1.628 57.708 56.100 -0.034 0.000 1.012 737 R CB -0.093 30.187 30.300 -0.032 0.000 0.859 737 R HN 0.454 nan 8.270 nan 0.000 0.474 738 E N 0.758 120.943 120.200 -0.026 0.000 2.318 738 E HA 0.074 4.427 4.350 0.006 0.000 0.193 738 E C 0.909 177.505 176.600 -0.008 0.000 0.998 738 E CA 0.660 57.052 56.400 -0.012 0.000 0.859 738 E CB -0.050 29.646 29.700 -0.006 0.000 0.812 738 E HN 0.275 nan 8.360 nan 0.000 0.492 739 M N 0.000 119.592 119.600 -0.014 0.000 2.572 739 M HA 0.000 4.483 4.480 0.006 0.000 0.227 739 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 739 M CB 0.000 32.595 32.600 -0.008 0.000 1.302 739 M HN 0.000 nan 8.290 nan 0.000 0.411