REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3koz_1_B DATA FIRST_RESID 5 DATA SEQUENCE LQLRVNEKLD VENILKDLDK YTPKRRGWTW RQPAENLQMG PFIYKDASTP DATA SEQUENCE LENSVALPSA KYFGDIDPQP LPVITTEIAS GRFEDDIRRM RMAAWHGADH DATA SEQUENCE IMVIRTAGQS HYDGLIEGTP QGIGGVPITR KQVRAQRKAL DLIEEEVGRP DATA SEQUENCE INYHSYVSGV AGPDIAVMFA EEGVNGAHQD PQYNVLYRNI NMIRSFIDAC DATA SEQUENCE ESKTIMAWAD MAQIDXXXGA HNANATAREA WKVMPELMVQ HALNSIFSLK DATA SEQUENCE VGMKKSNICL STVPPTAPPA PSMYLDLPYA VALREMFEGY RMRAQMNTKY DATA SEQUENCE MEASTREATV THVLNLLISK LTRADIQSTI TPDEGRNVPW HIYNIEACDT DATA SEQUENCE AKQALIGMDG LMDMVQLKRE GVLGDTVREL KERAVLFMEE IIEAGGYFNA DATA SEQUENCE VEQGFFVDSG YYPERNGDGI ARQINGGIGA GTVFERDEDY MAPVTAHFGY DATA SEQUENCE NNVKQYDEAL VSEPSKLIDG CTLEVPEKIV YIDELDENDN VNVRMEETKE DATA SEQUENCE FRXXSMIKPE VEWQADGTVL LTMFLPTSKR VAEFAAIEFA KKMNLEEVEV DATA SEQUENCE INREVMQEAE GTRIELKGRV PFSIDINSLV IPPXXXILSE DEIREDIEKT DATA SEQUENCE PLKIVAATVG EDEHSVGLRE VIDIKHGGIE KYGVEVHYLG TSVPVEKLVD DATA SEQUENCE AAIELKADAI LASTIISHDD IHYKNMKRIH ELAVEKGIRD KIMIGCGGTQ DATA SEQUENCE VTPEVAVKQG VDAGFGRGSK GIHVATFLVK KRREMR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.871 176.870 0.002 0.000 1.165 5 L CA 0.000 54.841 54.840 0.002 0.000 0.813 5 L CB 0.000 42.060 42.059 0.002 0.000 0.961 6 Q N 0.326 120.128 119.800 0.004 0.000 0.373 6 Q HA -0.119 4.225 4.340 0.006 0.000 0.270 6 Q C -0.273 175.734 176.000 0.012 0.000 1.089 6 Q CA 0.902 56.709 55.803 0.006 0.000 0.291 6 Q CB -0.239 28.500 28.738 0.001 0.000 5.548 6 Q HN 0.361 nan 8.270 nan 0.000 0.300 7 L N 0.582 121.816 121.223 0.017 0.000 3.052 7 L HA -0.274 4.070 4.340 0.006 0.000 0.652 7 L C -0.412 176.487 176.870 0.048 0.000 1.019 7 L CA 0.842 55.704 54.840 0.036 0.000 1.317 7 L CB -0.409 41.673 42.059 0.038 0.000 1.728 7 L HN 0.562 nan 8.230 nan 0.000 0.839 8 R N 1.460 121.991 120.500 0.051 0.000 2.561 8 R HA 0.367 4.710 4.340 0.006 0.000 0.297 8 R C 0.920 177.262 176.300 0.071 0.000 0.969 8 R CA -0.214 55.919 56.100 0.055 0.000 0.879 8 R CB 2.051 32.370 30.300 0.032 0.000 1.178 8 R HN 0.340 nan 8.270 nan 0.000 0.445 9 V N 0.959 120.937 119.914 0.106 0.000 2.720 9 V HA -0.191 3.933 4.120 0.006 0.000 0.256 9 V C 0.868 176.972 176.094 0.016 0.000 1.082 9 V CA 2.068 64.448 62.300 0.134 0.000 1.101 9 V CB -0.405 31.564 31.823 0.244 0.000 0.693 9 V HN 0.891 nan 8.190 nan 0.000 0.479 10 N N -0.407 118.297 118.700 0.007 0.000 2.235 10 N HA 0.172 4.915 4.740 0.006 0.000 0.209 10 N C 0.099 175.593 175.510 -0.027 0.000 1.122 10 N CA -0.044 52.990 53.050 -0.026 0.000 0.845 10 N CB 0.010 38.488 38.487 -0.015 0.000 1.004 10 N HN 0.738 nan 8.380 nan 0.000 0.499 11 E N 0.728 120.918 120.200 -0.016 0.000 2.176 11 E HA 0.254 4.608 4.350 0.006 0.000 0.267 11 E C -0.739 175.848 176.600 -0.022 0.000 0.893 11 E CA -0.709 55.681 56.400 -0.016 0.000 0.761 11 E CB 1.835 31.533 29.700 -0.003 0.000 1.133 11 E HN 0.086 nan 8.360 nan 0.000 0.409 12 K N 2.355 122.736 120.400 -0.032 0.000 2.436 12 K HA 0.086 4.409 4.320 0.006 0.000 0.275 12 K C 0.176 176.762 176.600 -0.023 0.000 0.999 12 K CA -0.090 56.175 56.287 -0.037 0.000 0.980 12 K CB 0.525 33.001 32.500 -0.039 0.000 0.919 12 K HN 0.445 nan 8.250 nan 0.000 0.484 13 L N 2.669 123.878 121.223 -0.023 0.000 2.640 13 L HA -0.145 4.199 4.340 0.006 0.000 0.280 13 L C 0.418 177.274 176.870 -0.023 0.000 1.229 13 L CA 0.302 55.132 54.840 -0.017 0.000 0.919 13 L CB -0.042 42.005 42.059 -0.019 0.000 1.168 13 L HN 0.598 nan 8.230 nan 0.000 0.496 14 D N 2.923 123.311 120.400 -0.021 0.000 2.441 14 D HA 0.121 4.765 4.640 0.006 0.000 0.221 14 D C 0.740 177.023 176.300 -0.028 0.000 1.156 14 D CA -0.222 53.765 54.000 -0.022 0.000 0.896 14 D CB 1.410 42.200 40.800 -0.017 0.000 1.028 14 D HN 0.287 nan 8.370 nan 0.000 0.509 15 V N 2.889 122.782 119.914 -0.035 0.000 2.488 15 V HA -0.062 4.062 4.120 0.006 0.000 0.246 15 V C 1.793 177.870 176.094 -0.029 0.000 1.046 15 V CA 1.564 63.838 62.300 -0.042 0.000 1.053 15 V CB -0.340 31.439 31.823 -0.073 0.000 0.679 15 V HN 0.553 nan 8.190 nan 0.000 0.458 16 E N 0.711 120.896 120.200 -0.026 0.000 2.097 16 E HA -0.323 4.031 4.350 0.006 0.000 0.196 16 E C 2.078 178.674 176.600 -0.008 0.000 1.000 16 E CA 2.113 58.505 56.400 -0.013 0.000 0.804 16 E CB -0.214 29.479 29.700 -0.011 0.000 0.740 16 E HN 0.764 nan 8.360 nan 0.000 0.454 17 N N -0.125 118.567 118.700 -0.014 0.000 2.188 17 N HA -0.087 4.656 4.740 0.006 0.000 0.184 17 N C 1.657 177.153 175.510 -0.024 0.000 1.018 17 N CA 0.982 54.022 53.050 -0.016 0.000 0.858 17 N CB -0.017 38.459 38.487 -0.018 0.000 0.989 17 N HN 0.161 nan 8.380 nan 0.000 0.426 18 I N 0.220 120.772 120.570 -0.031 0.000 2.286 18 I HA -0.237 3.937 4.170 0.006 0.000 0.248 18 I C 1.565 177.663 176.117 -0.031 0.000 1.115 18 I CA 0.819 62.089 61.300 -0.050 0.000 1.392 18 I CB -0.198 37.771 38.000 -0.051 0.000 1.065 18 I HN 0.190 nan 8.210 nan 0.000 0.418 19 L N 0.420 121.650 121.223 0.011 0.000 2.549 19 L HA -0.083 4.260 4.340 0.006 0.000 0.229 19 L C 0.820 177.707 176.870 0.028 0.000 1.158 19 L CA 0.680 55.550 54.840 0.050 0.000 0.842 19 L CB -0.575 41.536 42.059 0.087 0.000 0.952 19 L HN 0.151 nan 8.230 nan 0.000 0.452 20 K N 0.750 121.151 120.400 0.001 0.000 2.249 20 K HA 0.114 4.437 4.320 0.006 0.000 0.280 20 K C -0.142 176.443 176.600 -0.025 0.000 1.033 20 K CA -0.379 55.904 56.287 -0.006 0.000 0.946 20 K CB 0.889 33.385 32.500 -0.007 0.000 1.005 20 K HN -0.043 nan 8.250 nan 0.000 0.469 21 D N 1.176 121.556 120.400 -0.032 0.000 3.090 21 D HA -0.196 4.448 4.640 0.006 0.000 0.215 21 D C 0.933 177.179 176.300 -0.090 0.000 1.140 21 D CA 0.616 54.584 54.000 -0.052 0.000 0.937 21 D CB -1.381 39.403 40.800 -0.027 0.000 1.108 21 D HN 0.531 nan 8.370 nan 0.000 0.420 22 L N 0.589 121.744 121.223 -0.114 0.000 2.089 22 L HA -0.267 4.077 4.340 0.006 0.000 0.213 22 L C 2.377 179.013 176.870 -0.390 0.000 1.079 22 L CA 2.310 57.056 54.840 -0.156 0.000 0.758 22 L CB -0.498 41.525 42.059 -0.060 0.000 0.891 22 L HN 0.194 nan 8.230 nan 0.000 0.433 23 D N -0.517 119.492 120.400 -0.652 0.000 2.182 23 D HA -0.221 4.423 4.640 0.006 0.000 0.201 23 D C 1.762 177.910 176.300 -0.253 0.000 0.986 23 D CA 1.174 54.766 54.000 -0.681 0.000 0.847 23 D CB -0.368 40.163 40.800 -0.449 0.000 0.942 23 D HN 0.151 nan 8.370 nan 0.000 0.467 24 K N -0.786 119.536 120.400 -0.130 0.000 2.459 24 K HA -0.011 4.313 4.320 0.006 0.000 0.193 24 K C -0.032 176.583 176.600 0.025 0.000 1.030 24 K CA -0.232 56.031 56.287 -0.039 0.000 1.026 24 K CB -0.312 32.178 32.500 -0.017 0.000 0.809 24 K HN 0.323 nan 8.250 nan 0.000 0.504 25 Y N 1.577 121.816 120.300 -0.102 0.000 2.335 25 Y HA 0.094 4.648 4.550 0.006 0.000 0.331 25 Y C -0.314 175.572 175.900 -0.023 0.000 1.094 25 Y CA -0.119 57.947 58.100 -0.056 0.000 1.253 25 Y CB 0.770 39.199 38.460 -0.052 0.000 1.203 25 Y HN -0.194 nan 8.280 nan 0.000 0.508 26 T N 8.628 122.730 114.554 -0.754 0.000 2.876 26 T HA 0.364 4.718 4.350 0.006 0.000 0.289 26 T C -2.832 171.291 174.700 -0.963 0.000 1.014 26 T CA -1.653 60.025 62.100 -0.705 0.000 0.986 26 T CB 1.591 70.291 68.868 -0.281 0.000 1.021 26 T HN 0.405 nan 8.240 nan 0.000 0.458 27 P HA 0.192 nan 4.420 nan 0.000 0.265 27 P C 0.386 177.601 177.300 -0.141 0.000 1.193 27 P CA -0.154 62.771 63.100 -0.291 0.000 0.765 27 P CB 0.879 32.504 31.700 -0.125 0.000 0.823 28 K N 2.046 122.424 120.400 -0.036 0.000 2.097 28 K HA -0.105 4.218 4.320 0.006 0.000 0.205 28 K C 1.264 177.845 176.600 -0.032 0.000 1.050 28 K CA 1.338 57.615 56.287 -0.016 0.000 0.938 28 K CB 0.056 32.567 32.500 0.018 0.000 0.718 28 K HN 0.573 nan 8.250 nan 0.000 0.442 29 R N -1.528 118.951 120.500 -0.034 0.000 2.795 29 R HA 0.548 4.892 4.340 0.006 0.000 0.268 29 R C -1.179 175.093 176.300 -0.046 0.000 1.041 29 R CA -1.052 55.021 56.100 -0.045 0.000 0.927 29 R CB 1.384 31.653 30.300 -0.052 0.000 1.235 29 R HN -0.227 nan 8.270 nan 0.000 0.463 30 R N -0.558 119.905 120.500 -0.061 0.000 2.744 30 R HA 0.636 4.979 4.340 0.006 0.000 0.279 30 R C -0.801 175.458 176.300 -0.069 0.000 0.977 30 R CA 0.347 56.408 56.100 -0.065 0.000 0.906 30 R CB 2.260 32.493 30.300 -0.111 0.000 1.197 30 R HN 1.067 nan 8.270 nan 0.000 0.463 31 G N 1.458 110.233 108.800 -0.041 0.000 2.796 31 G HA2 -0.247 3.717 3.960 0.006 0.000 0.571 31 G HA3 -0.247 3.717 3.960 0.006 0.000 0.571 31 G C -1.395 173.503 174.900 -0.003 0.000 1.370 31 G CA -0.424 44.668 45.100 -0.014 0.000 0.856 31 G HN 0.560 nan 8.290 nan 0.000 0.538 32 W N 1.754 122.932 121.300 -0.204 0.000 2.376 32 W HA 0.611 5.275 4.660 0.006 0.000 0.322 32 W C 0.396 176.671 176.519 -0.407 0.000 1.160 32 W CA 0.287 57.429 57.345 -0.339 0.000 1.218 32 W CB 1.555 30.742 29.460 -0.454 0.000 1.205 32 W HN 1.109 nan 8.180 nan 0.000 0.559 33 T N 2.257 116.162 114.554 -1.081 0.000 2.824 33 T HA 0.435 4.789 4.350 0.006 0.000 0.282 33 T C -0.913 173.261 174.700 -0.878 0.000 0.993 33 T CA -0.525 61.141 62.100 -0.723 0.000 0.967 33 T CB 1.016 69.626 68.868 -0.429 0.000 0.960 33 T HN 0.410 nan 8.240 nan 0.000 0.441 34 W N 1.510 122.742 121.300 -0.113 0.000 2.359 34 W HA 0.563 5.227 4.660 0.006 0.000 0.344 34 W C 0.981 177.465 176.519 -0.059 0.000 1.170 34 W CA -1.365 55.977 57.345 -0.006 0.000 1.296 34 W CB 0.825 30.344 29.460 0.098 0.000 1.197 34 W HN 0.455 nan 8.180 nan 0.000 0.618 35 R N 1.539 122.179 120.500 0.232 0.000 2.594 35 R HA 0.107 4.451 4.340 0.006 0.000 0.272 35 R C -0.084 176.278 176.300 0.104 0.000 1.074 35 R CA -0.590 55.571 56.100 0.102 0.000 1.105 35 R CB 0.370 30.715 30.300 0.075 0.000 1.008 35 R HN 0.252 nan 8.270 nan 0.000 0.472 36 Q N 2.443 122.273 119.800 0.050 0.000 2.256 36 Q HA 0.297 4.640 4.340 0.006 0.000 0.254 36 Q C -2.210 173.803 176.000 0.022 0.000 0.916 36 Q CA -2.391 53.434 55.803 0.038 0.000 0.932 36 Q CB 1.212 29.962 28.738 0.019 0.000 1.207 36 Q HN 0.318 nan 8.270 nan 0.000 0.426 37 P HA 0.081 nan 4.420 nan 0.000 0.269 37 P C -1.143 176.163 177.300 0.009 0.000 1.209 37 P CA 0.073 63.179 63.100 0.011 0.000 0.776 37 P CB 0.645 32.349 31.700 0.006 0.000 0.876 38 A N 1.900 124.726 122.820 0.010 0.000 2.586 38 A HA 0.321 4.644 4.320 0.006 0.000 0.320 38 A C -0.248 177.353 177.584 0.028 0.000 1.281 38 A CA -0.429 51.615 52.037 0.013 0.000 0.775 38 A CB -0.162 18.841 19.000 0.004 0.000 1.122 38 A HN 0.361 nan 8.150 nan 0.000 0.470 39 E N 2.236 122.451 120.200 0.025 0.000 2.480 39 E HA 0.056 4.410 4.350 0.006 0.000 0.258 39 E C 0.253 176.878 176.600 0.043 0.000 0.984 39 E CA 0.834 57.252 56.400 0.030 0.000 0.930 39 E CB -0.130 29.581 29.700 0.019 0.000 0.936 39 E HN 0.573 nan 8.360 nan 0.000 0.466 40 N N 2.399 121.133 118.700 0.056 0.000 2.688 40 N HA -0.252 4.491 4.740 0.006 0.000 0.258 40 N C -0.905 174.656 175.510 0.083 0.000 1.016 40 N CA 0.214 53.303 53.050 0.064 0.000 0.747 40 N CB -0.754 37.756 38.487 0.039 0.000 0.895 40 N HN 0.261 nan 8.380 nan 0.000 0.543 41 L N 1.291 122.589 121.223 0.124 0.000 2.313 41 L HA 0.157 4.501 4.340 0.006 0.000 0.282 41 L C 0.727 177.716 176.870 0.198 0.000 1.092 41 L CA 0.048 54.965 54.840 0.128 0.000 0.831 41 L CB 0.895 43.011 42.059 0.096 0.000 1.159 41 L HN 0.212 nan 8.230 nan 0.000 0.442 42 Q N 5.392 125.272 119.800 0.133 0.000 2.295 42 Q HA 0.476 4.820 4.340 0.006 0.000 0.259 42 Q C -1.256 174.838 176.000 0.157 0.000 0.976 42 Q CA 0.384 56.272 55.803 0.141 0.000 0.923 42 Q CB 0.615 29.396 28.738 0.072 0.000 1.185 42 Q HN 0.714 nan 8.270 nan 0.000 0.410 43 M N 3.888 123.641 119.600 0.256 0.000 2.263 43 M HA 0.430 4.914 4.480 0.006 0.000 0.295 43 M C 0.569 176.987 176.300 0.196 0.000 1.028 43 M CA -0.313 55.116 55.300 0.214 0.000 0.921 43 M CB 1.913 34.641 32.600 0.212 0.000 1.601 43 M HN 0.967 nan 8.290 nan 0.000 0.440 44 G N 4.131 112.988 108.800 0.095 0.000 2.661 44 G HA2 -0.272 3.692 3.960 0.006 0.000 0.327 44 G HA3 -0.272 3.692 3.960 0.006 0.000 0.327 44 G C -1.983 172.841 174.900 -0.126 0.000 1.320 44 G CA 0.276 45.381 45.100 0.010 0.000 0.997 44 G HN 0.547 nan 8.290 nan 0.000 0.543 45 P HA 0.221 nan 4.420 nan 0.000 0.225 45 P C 0.488 177.455 177.300 -0.554 0.000 1.156 45 P CA 0.927 63.646 63.100 -0.635 0.000 0.787 45 P CB 0.034 31.041 31.700 -1.154 0.000 0.802 46 F N -0.880 119.065 119.950 -0.008 0.000 2.457 46 F HA 0.448 4.979 4.527 0.006 0.000 0.330 46 F C 0.843 176.544 175.800 -0.164 0.000 1.069 46 F CA -1.423 56.479 58.000 -0.164 0.000 1.009 46 F CB 0.383 39.165 39.000 -0.363 0.000 1.276 46 F HN -0.381 nan 8.300 nan 0.000 0.492 47 I N 0.598 121.116 120.570 -0.088 0.000 2.646 47 I HA 0.356 4.529 4.170 0.006 0.000 0.299 47 I C -1.466 174.474 176.117 -0.295 0.000 1.036 47 I CA -0.940 60.321 61.300 -0.065 0.000 1.074 47 I CB 2.096 40.089 38.000 -0.011 0.000 1.258 47 I HN 0.446 nan 8.210 nan 0.000 0.430 48 Y N 3.758 124.084 120.300 0.044 0.000 2.350 48 Y HA 0.306 4.859 4.550 0.006 0.000 0.338 48 Y C 0.678 176.584 175.900 0.010 0.000 0.961 48 Y CA -0.767 57.344 58.100 0.019 0.000 1.100 48 Y CB 1.738 40.207 38.460 0.015 0.000 1.179 48 Y HN 0.402 nan 8.280 nan 0.000 0.454 49 K N 0.530 120.995 120.400 0.108 0.000 2.155 49 K HA -0.010 4.313 4.320 0.006 0.000 0.203 49 K C -0.187 176.458 176.600 0.075 0.000 1.052 49 K CA 1.175 57.503 56.287 0.068 0.000 0.948 49 K CB 0.236 32.754 32.500 0.029 0.000 0.728 49 K HN 0.574 nan 8.250 nan 0.000 0.448 50 D N -0.256 120.204 120.400 0.101 0.000 2.891 50 D HA 0.225 4.869 4.640 0.006 0.000 0.332 50 D C -0.917 175.417 176.300 0.058 0.000 1.369 50 D CA -0.013 54.026 54.000 0.065 0.000 0.827 50 D CB 0.777 41.605 40.800 0.048 0.000 1.141 50 D HN 0.081 nan 8.370 nan 0.000 0.464 51 A N 0.461 123.316 122.820 0.059 0.000 2.299 51 A HA 0.770 5.094 4.320 0.006 0.000 0.332 51 A C 0.476 178.054 177.584 -0.010 0.000 1.131 51 A CA -0.450 51.580 52.037 -0.010 0.000 0.844 51 A CB 1.306 20.241 19.000 -0.109 0.000 1.251 51 A HN 0.134 nan 8.150 nan 0.000 0.486 52 S N -0.510 115.171 115.700 -0.031 0.000 2.739 52 S HA 0.638 5.111 4.470 0.006 0.000 0.306 52 S C 0.078 174.656 174.600 -0.037 0.000 1.115 52 S CA -0.387 57.802 58.200 -0.018 0.000 0.985 52 S CB 0.619 63.816 63.200 -0.004 0.000 1.133 52 S HN 0.757 nan 8.310 nan 0.000 0.541 53 T N 3.871 118.409 114.554 -0.027 0.000 2.867 53 T HA 0.178 4.532 4.350 0.006 0.000 0.290 53 T C -2.201 172.466 174.700 -0.056 0.000 1.025 53 T CA 0.198 62.275 62.100 -0.037 0.000 1.146 53 T CB -0.418 68.430 68.868 -0.033 0.000 1.024 53 T HN 0.487 nan 8.240 nan 0.000 0.519 54 P HA 0.307 nan 4.420 nan 0.000 0.274 54 P C -0.329 176.919 177.300 -0.087 0.000 1.256 54 P CA -0.608 62.445 63.100 -0.078 0.000 0.795 54 P CB 0.537 32.196 31.700 -0.070 0.000 1.038 55 L N 1.072 122.232 121.223 -0.106 0.000 2.325 55 L HA 0.242 4.585 4.340 0.006 0.000 0.279 55 L C 1.553 178.335 176.870 -0.148 0.000 1.054 55 L CA -0.185 54.569 54.840 -0.143 0.000 0.804 55 L CB 0.805 42.753 42.059 -0.184 0.000 1.200 55 L HN 0.455 nan 8.230 nan 0.000 0.436 56 E N 1.045 121.145 120.200 -0.166 0.000 2.107 56 E HA -0.025 4.329 4.350 0.006 0.000 0.191 56 E C -0.091 176.387 176.600 -0.202 0.000 0.982 56 E CA 0.870 57.180 56.400 -0.150 0.000 0.809 56 E CB 0.276 29.899 29.700 -0.129 0.000 0.756 56 E HN 0.463 nan 8.360 nan 0.000 0.459 57 N N 0.542 119.027 118.700 -0.359 0.000 2.540 57 N HA 0.144 4.887 4.740 0.006 0.000 0.275 57 N C -1.359 173.620 175.510 -0.886 0.000 1.053 57 N CA -0.072 52.636 53.050 -0.571 0.000 0.876 57 N CB 1.913 39.967 38.487 -0.721 0.000 1.284 57 N HN -0.015 nan 8.380 nan 0.000 0.518 58 S N -0.170 115.296 115.700 -0.389 0.000 2.667 58 S HA 0.635 5.109 4.470 0.006 0.000 0.292 58 S C -0.577 174.166 174.600 0.238 0.000 1.126 58 S CA -0.654 57.459 58.200 -0.146 0.000 0.881 58 S CB 1.873 65.001 63.200 -0.121 0.000 1.132 58 S HN 0.033 nan 8.310 nan 0.000 0.492 59 V N 1.688 121.699 119.914 0.162 0.000 2.347 59 V HA 0.713 4.837 4.120 0.006 0.000 0.280 59 V C 0.734 176.755 176.094 -0.121 0.000 1.021 59 V CA -0.438 61.853 62.300 -0.015 0.000 0.847 59 V CB 0.558 32.231 31.823 -0.251 0.000 0.990 59 V HN 1.185 nan 8.190 nan 0.000 0.444 60 A N 5.354 128.158 122.820 -0.026 0.000 2.346 60 A HA 0.661 4.985 4.320 0.006 0.000 0.252 60 A C 0.022 177.619 177.584 0.022 0.000 1.089 60 A CA -0.425 51.614 52.037 0.003 0.000 0.797 60 A CB 0.184 19.207 19.000 0.039 0.000 1.047 60 A HN 0.805 nan 8.150 nan 0.000 0.494 61 L N 1.303 122.564 121.223 0.062 0.000 2.483 61 L HA 0.090 4.433 4.340 0.006 0.000 0.276 61 L C -1.230 175.699 176.870 0.098 0.000 1.213 61 L CA -0.964 53.935 54.840 0.098 0.000 0.843 61 L CB 0.167 42.296 42.059 0.117 0.000 1.107 61 L HN 0.574 nan 8.230 nan 0.000 0.487 62 P HA -0.206 nan 4.420 nan 0.000 0.216 62 P C 1.191 178.529 177.300 0.063 0.000 1.167 62 P CA 1.360 64.504 63.100 0.073 0.000 0.914 62 P CB 0.160 31.911 31.700 0.086 0.000 0.793 63 S N -1.462 114.324 115.700 0.143 0.000 2.660 63 S HA 0.103 4.577 4.470 0.006 0.000 0.228 63 S C 1.677 176.439 174.600 0.270 0.000 0.966 63 S CA 0.567 58.904 58.200 0.228 0.000 0.940 63 S CB -0.797 62.644 63.200 0.401 0.000 0.773 63 S HN 0.143 nan 8.310 nan 0.000 0.535 64 A N 2.308 125.244 122.820 0.193 0.000 2.119 64 A HA -0.101 4.223 4.320 0.006 0.000 0.217 64 A C 2.002 179.657 177.584 0.117 0.000 1.153 64 A CA 1.107 53.302 52.037 0.263 0.000 0.692 64 A CB -0.402 18.707 19.000 0.182 0.000 0.799 64 A HN 0.680 nan 8.150 nan 0.000 0.458 65 K N -1.060 119.278 120.400 -0.103 0.000 2.218 65 K HA -0.219 4.105 4.320 0.006 0.000 0.205 65 K C 1.137 177.546 176.600 -0.317 0.000 1.046 65 K CA 1.899 58.039 56.287 -0.245 0.000 0.933 65 K CB -0.646 31.634 32.500 -0.366 0.000 0.728 65 K HN 0.512 nan 8.250 nan 0.000 0.454 66 Y N -0.327 119.860 120.300 -0.188 0.000 2.546 66 Y HA 0.125 4.678 4.550 0.006 0.000 0.287 66 Y C 0.414 175.963 175.900 -0.585 0.000 1.158 66 Y CA -0.016 57.800 58.100 -0.473 0.000 1.307 66 Y CB 0.113 38.105 38.460 -0.781 0.000 1.036 66 Y HN -0.020 nan 8.280 nan 0.000 0.532 67 F N -0.866 119.214 119.950 0.216 0.000 2.841 67 F HA 0.532 5.063 4.527 0.006 0.000 0.358 67 F C 1.155 177.028 175.800 0.122 0.000 1.261 67 F CA -0.683 57.444 58.000 0.212 0.000 1.233 67 F CB 0.876 40.104 39.000 0.380 0.000 1.008 67 F HN -0.019 nan 8.300 nan 0.000 0.507 68 G N 0.213 109.113 108.800 0.166 0.000 2.147 68 G HA2 -0.292 3.672 3.960 0.006 0.000 0.244 68 G HA3 -0.292 3.672 3.960 0.006 0.000 0.244 68 G C 0.343 175.305 174.900 0.104 0.000 1.005 68 G CA 0.150 45.314 45.100 0.107 0.000 0.713 68 G HN 0.513 nan 8.290 nan 0.000 0.515 69 D N -0.972 119.496 120.400 0.113 0.000 3.018 69 D HA -0.243 4.400 4.640 0.006 0.000 0.224 69 D C 1.325 177.686 176.300 0.102 0.000 1.185 69 D CA 1.420 55.475 54.000 0.092 0.000 0.858 69 D CB -1.408 39.421 40.800 0.048 0.000 1.112 69 D HN 1.257 nan 8.370 nan 0.000 0.415 70 I N -1.265 119.392 120.570 0.144 0.000 2.932 70 I HA 0.052 4.225 4.170 0.006 0.000 0.295 70 I C 0.528 176.692 176.117 0.079 0.000 1.227 70 I CA 0.666 62.035 61.300 0.114 0.000 1.429 70 I CB 0.384 38.489 38.000 0.175 0.000 1.339 70 I HN -0.242 nan 8.210 nan 0.000 0.589 71 D N 6.982 127.392 120.400 0.016 0.000 2.613 71 D HA 0.374 5.017 4.640 0.006 0.000 0.312 71 D C -2.476 173.779 176.300 -0.076 0.000 1.202 71 D CA -1.826 52.165 54.000 -0.015 0.000 0.825 71 D CB 0.659 41.448 40.800 -0.019 0.000 1.113 71 D HN 0.416 nan 8.370 nan 0.000 0.502 72 P HA 0.083 nan 4.420 nan 0.000 0.268 72 P C -0.641 176.544 177.300 -0.192 0.000 1.205 72 P CA -0.095 62.834 63.100 -0.285 0.000 0.771 72 P CB 0.903 32.228 31.700 -0.626 0.000 0.858 73 Q N 2.991 122.691 119.800 -0.166 0.000 2.331 73 Q HA 0.397 4.741 4.340 0.006 0.000 0.267 73 Q C -2.214 173.744 176.000 -0.070 0.000 1.006 73 Q CA -2.101 53.648 55.803 -0.091 0.000 0.818 73 Q CB 2.052 30.750 28.738 -0.066 0.000 1.276 73 Q HN 0.410 nan 8.270 nan 0.000 0.450 74 P HA 0.084 nan 4.420 nan 0.000 0.273 74 P C 0.829 178.138 177.300 0.014 0.000 1.250 74 P CA -0.305 62.792 63.100 -0.005 0.000 0.793 74 P CB 1.207 32.915 31.700 0.015 0.000 1.011 75 L N -0.431 120.807 121.223 0.024 0.000 2.012 75 L HA -0.059 4.285 4.340 0.006 0.000 0.210 75 L C -1.037 175.873 176.870 0.068 0.000 1.073 75 L CA 1.519 56.381 54.840 0.036 0.000 0.748 75 L CB -1.974 40.100 42.059 0.026 0.000 0.891 75 L HN 0.381 nan 8.230 nan 0.000 0.431 76 P HA 0.143 nan 4.420 nan 0.000 0.281 76 P C -0.500 176.886 177.300 0.143 0.000 1.249 76 P CA -0.260 62.914 63.100 0.123 0.000 0.810 76 P CB 1.212 32.972 31.700 0.101 0.000 1.008 77 V N 3.549 123.594 119.914 0.218 0.000 2.763 77 V HA 0.035 4.158 4.120 0.006 0.000 0.306 77 V C 0.552 176.752 176.094 0.177 0.000 1.059 77 V CA 0.528 62.935 62.300 0.179 0.000 1.138 77 V CB -0.171 31.779 31.823 0.213 0.000 0.940 77 V HN 0.355 nan 8.190 nan 0.000 0.489 78 I N 4.250 124.906 120.570 0.143 0.000 2.382 78 I HA 0.318 4.492 4.170 0.006 0.000 0.286 78 I C 0.353 176.567 176.117 0.161 0.000 1.002 78 I CA -0.084 61.297 61.300 0.134 0.000 1.135 78 I CB 1.578 39.632 38.000 0.090 0.000 1.288 78 I HN 0.593 nan 8.210 nan 0.000 0.448 79 T N 3.883 118.528 114.554 0.152 0.000 2.918 79 T HA 0.516 4.870 4.350 0.006 0.000 0.283 79 T C 0.245 174.949 174.700 0.007 0.000 1.001 79 T CA -0.434 61.710 62.100 0.073 0.000 1.041 79 T CB 2.110 70.969 68.868 -0.015 0.000 1.028 79 T HN 0.649 nan 8.240 nan 0.000 0.511 80 T N 1.041 115.574 114.554 -0.036 0.000 2.932 80 T HA 0.326 4.680 4.350 0.006 0.000 0.318 80 T C -1.796 172.890 174.700 -0.025 0.000 1.265 80 T CA -0.729 61.365 62.100 -0.009 0.000 1.036 80 T CB 1.326 70.220 68.868 0.044 0.000 1.209 80 T HN 0.624 nan 8.240 nan 0.000 0.484 81 E N 3.497 123.696 120.200 -0.002 0.000 2.073 81 E HA 0.461 4.815 4.350 0.006 0.000 0.269 81 E C -0.726 175.910 176.600 0.059 0.000 0.917 81 E CA -0.382 56.026 56.400 0.014 0.000 0.757 81 E CB 1.225 30.929 29.700 0.008 0.000 1.111 81 E HN 0.451 nan 8.360 nan 0.000 0.410 82 I N 2.350 122.973 120.570 0.088 0.000 2.378 82 I HA 0.580 4.754 4.170 0.006 0.000 0.291 82 I C -0.386 175.818 176.117 0.145 0.000 0.992 82 I CA -0.532 60.843 61.300 0.124 0.000 1.154 82 I CB 1.744 39.833 38.000 0.149 0.000 1.315 82 I HN 0.524 nan 8.210 nan 0.000 0.448 83 A N 3.604 126.512 122.820 0.147 0.000 2.364 83 A HA 0.381 4.705 4.320 0.006 0.000 0.303 83 A C 0.081 177.770 177.584 0.175 0.000 1.078 83 A CA -0.315 51.823 52.037 0.168 0.000 0.970 83 A CB 0.229 19.310 19.000 0.136 0.000 1.497 83 A HN 0.699 nan 8.150 nan 0.000 0.376 84 S N 0.432 116.279 115.700 0.246 0.000 2.523 84 S HA 0.506 4.980 4.470 0.006 0.000 0.217 84 S C 1.415 176.301 174.600 0.475 0.000 0.996 84 S CA 0.963 59.350 58.200 0.311 0.000 0.921 84 S CB 0.605 64.043 63.200 0.397 0.000 0.829 84 S HN 2.570 nan 8.310 nan 0.000 0.495 85 G N 1.940 110.964 108.800 0.374 0.000 2.436 85 G HA2 -0.156 3.808 3.960 0.006 0.000 0.204 85 G HA3 -0.156 3.808 3.960 0.006 0.000 0.204 85 G C 0.086 175.096 174.900 0.182 0.000 1.026 85 G CA -0.542 44.756 45.100 0.331 0.000 0.658 85 G HN 0.487 nan 8.290 nan 0.000 0.499 86 R N 1.386 121.957 120.500 0.118 0.000 2.396 86 R HA 0.451 4.795 4.340 0.006 0.000 0.292 86 R C 1.464 177.755 176.300 -0.015 0.000 1.240 86 R CA -0.161 55.884 56.100 -0.092 0.000 1.270 86 R CB -0.038 29.936 30.300 -0.544 0.000 1.108 86 R HN 0.519 nan 8.270 nan 0.000 0.573 87 F N 2.052 122.030 119.950 0.046 0.000 2.176 87 F HA -0.326 4.204 4.527 0.006 0.000 0.301 87 F C 2.054 177.888 175.800 0.057 0.000 1.071 87 F CA 1.624 59.672 58.000 0.080 0.000 1.289 87 F CB -0.132 38.918 39.000 0.084 0.000 1.028 87 F HN 0.360 nan 8.300 nan 0.000 0.494 88 E N 1.068 120.484 120.200 -1.308 0.000 2.072 88 E HA -0.241 4.113 4.350 0.006 0.000 0.191 88 E C 1.392 177.763 176.600 -0.381 0.000 0.985 88 E CA 1.798 57.582 56.400 -1.027 0.000 0.801 88 E CB -0.976 28.144 29.700 -0.966 0.000 0.750 88 E HN 0.504 nan 8.360 nan 0.000 0.452 89 D N 1.536 121.795 120.400 -0.235 0.000 2.144 89 D HA -0.122 4.522 4.640 0.006 0.000 0.200 89 D C 1.494 177.832 176.300 0.064 0.000 0.978 89 D CA 1.242 55.224 54.000 -0.029 0.000 0.833 89 D CB -0.249 40.620 40.800 0.115 0.000 0.961 89 D HN 0.201 nan 8.370 nan 0.000 0.470 90 D N 0.708 121.158 120.400 0.084 0.000 2.182 90 D HA -0.123 4.521 4.640 0.006 0.000 0.201 90 D C 2.161 178.528 176.300 0.113 0.000 0.986 90 D CA 0.322 54.413 54.000 0.151 0.000 0.847 90 D CB -0.327 40.584 40.800 0.184 0.000 0.942 90 D HN 0.308 nan 8.370 nan 0.000 0.467 91 I N 0.644 121.245 120.570 0.051 0.000 2.423 91 I HA -0.250 3.923 4.170 0.006 0.000 0.254 91 I C 2.362 178.497 176.117 0.029 0.000 1.151 91 I CA 0.934 62.259 61.300 0.041 0.000 1.421 91 I CB -0.001 38.000 38.000 0.001 0.000 1.079 91 I HN -0.023 nan 8.210 nan 0.000 0.431 92 R N 0.134 120.639 120.500 0.009 0.000 2.055 92 R HA -0.104 4.240 4.340 0.006 0.000 0.228 92 R C 2.419 178.713 176.300 -0.010 0.000 1.143 92 R CA 0.965 57.049 56.100 -0.026 0.000 0.945 92 R CB -0.489 29.763 30.300 -0.080 0.000 0.841 92 R HN 0.233 nan 8.270 nan 0.000 0.429 93 R N 0.937 121.461 120.500 0.039 0.000 2.139 93 R HA -0.152 4.191 4.340 0.006 0.000 0.243 93 R C 2.271 178.640 176.300 0.114 0.000 1.145 93 R CA 1.664 57.831 56.100 0.113 0.000 0.976 93 R CB -0.135 30.361 30.300 0.327 0.000 0.866 93 R HN 0.242 nan 8.270 nan 0.000 0.449 94 M N -0.674 118.996 119.600 0.116 0.000 2.108 94 M HA -0.214 4.270 4.480 0.006 0.000 0.261 94 M C 2.457 178.837 176.300 0.134 0.000 1.066 94 M CA 1.702 57.077 55.300 0.124 0.000 1.107 94 M CB -0.398 32.272 32.600 0.116 0.000 1.356 94 M HN 0.156 nan 8.290 nan 0.000 0.406 95 R N 0.828 121.397 120.500 0.116 0.000 2.070 95 R HA -0.146 4.197 4.340 0.006 0.000 0.233 95 R C 2.121 178.567 176.300 0.244 0.000 1.137 95 R CA 1.856 58.062 56.100 0.176 0.000 0.945 95 R CB -0.207 30.157 30.300 0.107 0.000 0.845 95 R HN 0.302 nan 8.270 nan 0.000 0.430 96 M N 0.085 119.753 119.600 0.113 0.000 2.089 96 M HA -0.245 4.239 4.480 0.006 0.000 0.257 96 M C 2.463 178.921 176.300 0.265 0.000 1.071 96 M CA 2.254 57.626 55.300 0.120 0.000 1.096 96 M CB -0.405 32.200 32.600 0.009 0.000 1.330 96 M HN 0.345 nan 8.290 nan 0.000 0.403 97 A N 0.036 122.976 122.820 0.200 0.000 1.929 97 A HA 0.075 4.398 4.320 0.006 0.000 0.216 97 A C 2.403 180.134 177.584 0.246 0.000 1.176 97 A CA 1.587 53.748 52.037 0.206 0.000 0.628 97 A CB -0.931 18.154 19.000 0.143 0.000 0.816 97 A HN 0.508 nan 8.150 nan 0.000 0.444 98 A N -1.434 121.524 122.820 0.231 0.000 1.978 98 A HA -0.191 4.133 4.320 0.006 0.000 0.220 98 A C 1.902 179.578 177.584 0.154 0.000 1.170 98 A CA 1.530 53.663 52.037 0.160 0.000 0.636 98 A CB -0.793 18.286 19.000 0.132 0.000 0.810 98 A HN 0.741 nan 8.150 nan 0.000 0.448 99 W N -0.979 120.367 121.300 0.076 0.000 2.453 99 W HA 0.010 4.674 4.660 0.006 0.000 0.289 99 W C 2.146 178.640 176.519 -0.043 0.000 1.215 99 W CA 1.296 58.655 57.345 0.022 0.000 1.297 99 W CB -0.304 29.177 29.460 0.035 0.000 1.113 99 W HN 0.470 nan 8.180 nan 0.000 0.551 100 H N -1.052 118.160 119.070 0.236 0.000 2.556 100 H HA 0.177 4.737 4.556 0.006 0.000 0.268 100 H C 1.624 177.006 175.328 0.091 0.000 0.996 100 H CA 1.165 57.300 56.048 0.146 0.000 1.157 100 H CB 0.049 29.886 29.762 0.126 0.000 1.355 100 H HN 0.290 nan 8.280 nan 0.000 0.597 101 G N 0.189 109.072 108.800 0.138 0.000 2.183 101 G HA2 -0.174 3.790 3.960 0.006 0.000 0.168 101 G HA3 -0.174 3.790 3.960 0.006 0.000 0.168 101 G C 0.285 175.226 174.900 0.067 0.000 1.008 101 G CA -0.093 45.044 45.100 0.062 0.000 0.677 101 G HN 0.544 nan 8.290 nan 0.000 0.498 102 A N 1.261 124.141 122.820 0.099 0.000 2.404 102 A HA 0.567 4.891 4.320 0.006 0.000 0.273 102 A C 0.815 178.437 177.584 0.064 0.000 1.144 102 A CA 0.670 52.763 52.037 0.092 0.000 0.806 102 A CB 0.297 19.363 19.000 0.110 0.000 1.080 102 A HN 0.736 nan 8.150 nan 0.000 0.509 103 D N 1.249 121.680 120.400 0.053 0.000 2.623 103 D HA 0.085 4.729 4.640 0.006 0.000 0.252 103 D C -0.154 176.158 176.300 0.020 0.000 1.294 103 D CA 0.107 54.106 54.000 -0.002 0.000 0.824 103 D CB -0.531 40.227 40.800 -0.069 0.000 1.070 103 D HN 0.682 nan 8.370 nan 0.000 0.487 104 H N 0.530 119.586 119.070 -0.022 0.000 3.240 104 H HA 0.281 4.841 4.556 0.006 0.000 0.326 104 H C -1.247 174.118 175.328 0.063 0.000 1.015 104 H CA -0.710 55.343 56.048 0.008 0.000 1.504 104 H CB 1.004 30.810 29.762 0.073 0.000 1.754 104 H HN -0.118 nan 8.280 nan 0.000 0.505 105 I N 5.745 126.412 120.570 0.162 0.000 2.328 105 I HA 0.239 4.413 4.170 0.006 0.000 0.287 105 I C -0.007 176.115 176.117 0.008 0.000 1.012 105 I CA -0.352 61.008 61.300 0.101 0.000 1.195 105 I CB 1.064 39.199 38.000 0.225 0.000 1.350 105 I HN 0.616 nan 8.210 nan 0.000 0.464 106 M N 6.038 125.567 119.600 -0.118 0.000 2.205 106 M HA 0.452 4.936 4.480 0.006 0.000 0.344 106 M C -0.934 175.363 176.300 -0.005 0.000 1.085 106 M CA -0.684 54.517 55.300 -0.163 0.000 1.001 106 M CB 2.050 34.455 32.600 -0.326 0.000 1.626 106 M HN 0.234 nan 8.290 nan 0.000 0.442 107 V N 6.110 126.043 119.914 0.033 0.000 2.326 107 V HA 0.352 4.476 4.120 0.006 0.000 0.281 107 V C -0.075 176.162 176.094 0.239 0.000 1.015 107 V CA -0.694 61.678 62.300 0.122 0.000 0.823 107 V CB 1.108 32.994 31.823 0.105 0.000 1.009 107 V HN 0.723 nan 8.190 nan 0.000 0.436 108 I N 5.145 125.830 120.570 0.192 0.000 2.588 108 I HA 0.213 4.387 4.170 0.006 0.000 0.283 108 I C 1.163 177.275 176.117 -0.009 0.000 1.119 108 I CA 0.336 61.658 61.300 0.038 0.000 1.419 108 I CB 0.424 38.367 38.000 -0.096 0.000 1.394 108 I HN 0.545 nan 8.210 nan 0.000 0.562 109 R N 2.996 123.428 120.500 -0.113 0.000 2.726 109 R HA 0.184 4.527 4.340 0.006 0.000 0.272 109 R C 0.355 176.613 176.300 -0.071 0.000 1.097 109 R CA -0.461 55.605 56.100 -0.056 0.000 1.198 109 R CB 0.294 30.543 30.300 -0.086 0.000 1.114 109 R HN 0.586 nan 8.270 nan 0.000 0.550 110 T N 0.075 114.607 114.554 -0.037 0.000 2.856 110 T HA 0.162 4.516 4.350 0.006 0.000 0.306 110 T C 0.171 174.830 174.700 -0.069 0.000 1.062 110 T CA -0.412 61.679 62.100 -0.014 0.000 1.083 110 T CB 0.434 69.328 68.868 0.043 0.000 0.984 110 T HN 0.591 nan 8.240 nan 0.000 0.542 111 A N 2.487 125.298 122.820 -0.016 0.000 2.524 111 A HA 0.453 4.777 4.320 0.006 0.000 0.271 111 A C 1.525 179.092 177.584 -0.030 0.000 1.097 111 A CA 0.344 52.373 52.037 -0.013 0.000 0.791 111 A CB -1.483 17.536 19.000 0.032 0.000 1.028 111 A HN 2.079 nan 8.150 nan 0.000 0.518 112 G N 2.152 110.915 108.800 -0.062 0.000 2.338 112 G HA2 -0.329 3.635 3.960 0.006 0.000 0.296 112 G HA3 -0.329 3.635 3.960 0.006 0.000 0.296 112 G C 0.641 175.350 174.900 -0.319 0.000 1.040 112 G CA 0.744 45.810 45.100 -0.057 0.000 1.004 112 G HN 1.134 nan 8.290 nan 0.000 0.509 113 Q N -0.365 119.104 119.800 -0.552 0.000 2.437 113 Q HA 0.011 4.354 4.340 0.006 0.000 0.210 113 Q C 2.552 178.216 176.000 -0.561 0.000 0.972 113 Q CA 1.531 56.694 55.803 -1.067 0.000 0.903 113 Q CB -0.237 28.134 28.738 -0.612 0.000 0.967 113 Q HN 0.532 nan 8.270 nan 0.000 0.486 114 S N -0.486 115.011 115.700 -0.338 0.000 2.402 114 S HA -0.169 4.305 4.470 0.006 0.000 0.233 114 S C 1.289 175.747 174.600 -0.237 0.000 1.030 114 S CA 1.046 59.091 58.200 -0.258 0.000 1.003 114 S CB -0.208 62.817 63.200 -0.292 0.000 0.813 114 S HN 0.602 nan 8.310 nan 0.000 0.477 115 H N -0.845 118.207 119.070 -0.030 0.000 2.539 115 H HA 0.133 4.692 4.556 0.006 0.000 0.267 115 H C -0.470 175.005 175.328 0.244 0.000 0.982 115 H CA 0.135 56.239 56.048 0.093 0.000 1.146 115 H CB -0.055 29.769 29.762 0.103 0.000 1.382 115 H HN 0.334 nan 8.280 nan 0.000 0.577 116 Y N 1.426 121.782 120.300 0.093 0.000 2.480 116 Y HA 0.024 4.577 4.550 0.006 0.000 0.341 116 Y C 0.913 176.837 175.900 0.041 0.000 1.031 116 Y CA -1.112 57.024 58.100 0.060 0.000 1.295 116 Y CB 0.141 38.623 38.460 0.037 0.000 1.162 116 Y HN -0.006 nan 8.280 nan 0.000 0.523 117 D N 2.574 123.086 120.400 0.187 0.000 2.801 117 D HA 0.395 5.039 4.640 0.006 0.000 0.232 117 D C 0.386 176.736 176.300 0.083 0.000 1.128 117 D CA 0.554 54.622 54.000 0.113 0.000 1.003 117 D CB -0.448 40.406 40.800 0.090 0.000 1.110 117 D HN 0.828 nan 8.370 nan 0.000 0.477 118 G N 0.326 109.180 108.800 0.090 0.000 2.333 118 G HA2 0.025 3.989 3.960 0.006 0.000 0.330 118 G HA3 0.025 3.989 3.960 0.006 0.000 0.330 118 G C -0.870 174.074 174.900 0.073 0.000 1.465 118 G CA -1.074 44.061 45.100 0.059 0.000 0.996 118 G HN 0.208 nan 8.290 nan 0.000 0.655 119 L N 0.786 122.034 121.223 0.041 0.000 2.506 119 L HA 0.303 4.647 4.340 0.006 0.000 0.281 119 L C 1.306 178.211 176.870 0.058 0.000 1.228 119 L CA -0.046 54.820 54.840 0.044 0.000 0.850 119 L CB 0.247 42.316 42.059 0.016 0.000 1.110 119 L HN 0.584 nan 8.230 nan 0.000 0.496 120 I N -0.973 119.650 120.570 0.089 0.000 2.793 120 I HA 0.522 4.696 4.170 0.006 0.000 0.313 120 I C -0.380 175.744 176.117 0.010 0.000 0.998 120 I CA -0.839 60.497 61.300 0.061 0.000 1.140 120 I CB 1.590 39.668 38.000 0.131 0.000 1.327 120 I HN 0.445 nan 8.210 nan 0.000 0.491 121 E N 2.042 122.228 120.200 -0.024 0.000 2.266 121 E HA 0.572 4.926 4.350 0.006 0.000 0.268 121 E C 0.158 176.712 176.600 -0.078 0.000 0.879 121 E CA 0.034 56.390 56.400 -0.073 0.000 0.762 121 E CB 1.967 31.614 29.700 -0.089 0.000 1.199 121 E HN 1.041 nan 8.360 nan 0.000 0.422 122 G N 2.008 110.735 108.800 -0.120 0.000 2.496 122 G HA2 -0.262 3.702 3.960 0.006 0.000 0.243 122 G HA3 -0.262 3.702 3.960 0.006 0.000 0.243 122 G C -0.171 174.673 174.900 -0.093 0.000 1.176 122 G CA 0.125 45.167 45.100 -0.097 0.000 0.940 122 G HN 0.905 nan 8.290 nan 0.000 0.573 123 T N -1.293 113.236 114.554 -0.042 0.000 3.631 123 T HA 0.634 4.988 4.350 0.006 0.000 0.256 123 T C -2.699 172.033 174.700 0.053 0.000 1.187 123 T CA -0.138 61.947 62.100 -0.025 0.000 1.667 123 T CB 2.140 71.015 68.868 0.011 0.000 0.804 123 T HN 0.599 nan 8.240 nan 0.000 0.639 124 P HA 0.271 nan 4.420 nan 0.000 0.274 124 P C -0.202 177.141 177.300 0.072 0.000 1.246 124 P CA -0.418 62.713 63.100 0.052 0.000 0.795 124 P CB 0.591 32.321 31.700 0.049 0.000 1.006 125 Q N 0.678 120.508 119.800 0.051 0.000 2.313 125 Q HA 0.394 4.738 4.340 0.006 0.000 0.266 125 Q C 0.335 176.387 176.000 0.086 0.000 0.989 125 Q CA -0.217 55.611 55.803 0.041 0.000 0.890 125 Q CB 0.005 28.739 28.738 -0.007 0.000 1.200 125 Q HN 0.617 nan 8.270 nan 0.000 0.396 126 G N 3.606 112.474 108.800 0.114 0.000 2.569 126 G HA2 0.421 4.384 3.960 0.006 0.000 0.249 126 G HA3 0.421 4.384 3.960 0.006 0.000 0.249 126 G C -0.540 174.451 174.900 0.152 0.000 1.216 126 G CA -0.588 44.596 45.100 0.140 0.000 0.845 126 G HN 0.751 nan 8.290 nan 0.000 0.568 127 I N 1.227 121.875 120.570 0.130 0.000 2.521 127 I HA 0.377 4.551 4.170 0.006 0.000 0.277 127 I C 0.877 177.048 176.117 0.090 0.000 1.054 127 I CA -0.079 61.294 61.300 0.120 0.000 1.117 127 I CB 1.453 39.515 38.000 0.104 0.000 1.217 127 I HN 0.903 nan 8.210 nan 0.000 0.469 128 G N 3.807 112.663 108.800 0.094 0.000 2.143 128 G HA2 -0.011 3.953 3.960 0.006 0.000 0.248 128 G HA3 -0.011 3.953 3.960 0.006 0.000 0.248 128 G C 0.309 175.237 174.900 0.047 0.000 0.991 128 G CA 0.002 45.135 45.100 0.056 0.000 0.689 128 G HN 1.283 nan 8.290 nan 0.000 0.522 129 G N -2.742 106.109 108.800 0.085 0.000 2.341 129 G HA2 0.513 4.476 3.960 0.006 0.000 0.293 129 G HA3 0.513 4.476 3.960 0.006 0.000 0.293 129 G C -1.106 173.863 174.900 0.116 0.000 1.298 129 G CA 0.115 45.263 45.100 0.080 0.000 0.868 129 G HN 1.218 nan 8.290 nan 0.000 0.540 130 V N 1.759 121.746 119.914 0.121 0.000 2.439 130 V HA 0.472 4.596 4.120 0.006 0.000 0.282 130 V C -1.976 174.185 176.094 0.112 0.000 1.039 130 V CA -1.365 61.025 62.300 0.150 0.000 0.913 130 V CB 1.866 33.808 31.823 0.199 0.000 0.983 130 V HN 0.508 nan 8.190 nan 0.000 0.460 131 P HA 0.108 nan 4.420 nan 0.000 0.264 131 P C -0.440 176.911 177.300 0.085 0.000 1.236 131 P CA 0.015 63.178 63.100 0.105 0.000 0.811 131 P CB -0.123 31.646 31.700 0.115 0.000 0.840 132 I N 4.440 125.071 120.570 0.102 0.000 2.436 132 I HA 0.192 4.366 4.170 0.006 0.000 0.289 132 I C 0.938 177.128 176.117 0.123 0.000 1.083 132 I CA 0.455 61.836 61.300 0.136 0.000 1.372 132 I CB -0.308 37.817 38.000 0.208 0.000 1.408 132 I HN 0.314 nan 8.210 nan 0.000 0.516 133 T N 2.662 117.267 114.554 0.085 0.000 2.923 133 T HA 0.364 4.718 4.350 0.006 0.000 0.311 133 T C 0.854 175.583 174.700 0.047 0.000 1.183 133 T CA -0.928 61.200 62.100 0.047 0.000 1.020 133 T CB 2.273 71.126 68.868 -0.024 0.000 1.165 133 T HN 0.617 nan 8.240 nan 0.000 0.482 134 R N 1.103 121.632 120.500 0.048 0.000 2.153 134 R HA -0.219 4.125 4.340 0.006 0.000 0.252 134 R C 2.067 178.423 176.300 0.093 0.000 1.158 134 R CA 2.195 58.347 56.100 0.086 0.000 0.975 134 R CB -0.258 30.068 30.300 0.044 0.000 0.871 134 R HN 0.798 nan 8.270 nan 0.000 0.450 135 K N 0.170 120.555 120.400 -0.026 0.000 2.001 135 K HA -0.214 4.110 4.320 0.006 0.000 0.208 135 K C 2.281 178.855 176.600 -0.043 0.000 1.048 135 K CA 1.700 58.008 56.287 0.034 0.000 0.932 135 K CB -0.213 32.243 32.500 -0.073 0.000 0.715 135 K HN 0.171 nan 8.250 nan 0.000 0.437 136 Q N 0.927 120.594 119.800 -0.223 0.000 2.050 136 Q HA -0.137 4.206 4.340 0.006 0.000 0.202 136 Q C 2.021 177.968 176.000 -0.088 0.000 0.980 136 Q CA 1.921 57.458 55.803 -0.443 0.000 0.840 136 Q CB -0.243 28.189 28.738 -0.510 0.000 0.898 136 Q HN 0.272 nan 8.270 nan 0.000 0.424 137 V N 1.660 121.609 119.914 0.058 0.000 2.282 137 V HA -0.300 3.824 4.120 0.006 0.000 0.249 137 V C 2.729 178.893 176.094 0.118 0.000 1.057 137 V CA 2.367 64.773 62.300 0.176 0.000 1.032 137 V CB -0.701 31.258 31.823 0.227 0.000 0.645 137 V HN 0.364 nan 8.190 nan 0.000 0.447 138 R N -0.284 120.315 120.500 0.164 0.000 2.080 138 R HA -0.186 4.157 4.340 0.006 0.000 0.236 138 R C 2.483 178.804 176.300 0.035 0.000 1.137 138 R CA 1.651 57.899 56.100 0.247 0.000 0.943 138 R CB -0.744 29.770 30.300 0.357 0.000 0.846 138 R HN 0.552 nan 8.270 nan 0.000 0.431 139 A N 1.277 124.108 122.820 0.018 0.000 1.859 139 A HA -0.282 4.041 4.320 0.006 0.000 0.217 139 A C 2.110 179.664 177.584 -0.050 0.000 1.198 139 A CA 1.710 53.747 52.037 -0.001 0.000 0.629 139 A CB -0.697 18.424 19.000 0.202 0.000 0.830 139 A HN 0.405 nan 8.150 nan 0.000 0.446 140 Q N -1.622 118.172 119.800 -0.009 0.000 2.084 140 Q HA -0.219 4.125 4.340 0.006 0.000 0.202 140 Q C 2.377 178.180 176.000 -0.328 0.000 0.978 140 Q CA 1.611 57.341 55.803 -0.122 0.000 0.844 140 Q CB -0.237 28.448 28.738 -0.088 0.000 0.898 140 Q HN 0.493 nan 8.270 nan 0.000 0.426 141 R N 1.589 121.867 120.500 -0.370 0.000 2.115 141 R HA -0.084 4.260 4.340 0.006 0.000 0.230 141 R C 1.882 178.105 176.300 -0.128 0.000 1.111 141 R CA 1.469 57.382 56.100 -0.312 0.000 0.976 141 R CB -0.203 30.036 30.300 -0.102 0.000 0.870 141 R HN 0.131 nan 8.270 nan 0.000 0.445 142 K N -0.649 119.584 120.400 -0.278 0.000 2.026 142 K HA -0.071 4.253 4.320 0.006 0.000 0.208 142 K C 1.800 178.261 176.600 -0.232 0.000 1.048 142 K CA 1.502 57.493 56.287 -0.494 0.000 0.929 142 K CB -0.233 31.710 32.500 -0.928 0.000 0.713 142 K HN 0.193 nan 8.250 nan 0.000 0.439 143 A N 1.127 123.840 122.820 -0.180 0.000 1.930 143 A HA -0.092 4.231 4.320 0.006 0.000 0.217 143 A C 2.092 179.634 177.584 -0.070 0.000 1.175 143 A CA 1.119 53.097 52.037 -0.098 0.000 0.627 143 A CB -0.525 18.438 19.000 -0.062 0.000 0.815 143 A HN 0.334 nan 8.150 nan 0.000 0.443 144 L N -0.593 120.571 121.223 -0.099 0.000 2.141 144 L HA -0.177 4.166 4.340 0.006 0.000 0.209 144 L C 1.965 178.805 176.870 -0.049 0.000 1.094 144 L CA 1.156 55.954 54.840 -0.071 0.000 0.763 144 L CB -0.506 41.483 42.059 -0.118 0.000 0.908 144 L HN 0.289 nan 8.230 nan 0.000 0.437 145 D N 0.016 120.388 120.400 -0.045 0.000 2.104 145 D HA -0.172 4.472 4.640 0.006 0.000 0.194 145 D C 2.304 178.593 176.300 -0.018 0.000 0.994 145 D CA 1.193 55.185 54.000 -0.014 0.000 0.830 145 D CB -0.117 40.704 40.800 0.034 0.000 0.959 145 D HN 0.207 nan 8.370 nan 0.000 0.452 146 L N 0.335 121.544 121.223 -0.025 0.000 1.961 146 L HA -0.123 4.221 4.340 0.006 0.000 0.209 146 L C 2.574 179.442 176.870 -0.003 0.000 1.075 146 L CA 0.835 55.667 54.840 -0.012 0.000 0.749 146 L CB -0.551 41.501 42.059 -0.012 0.000 0.890 146 L HN 0.022 nan 8.230 nan 0.000 0.433 147 I N 0.436 121.011 120.570 0.009 0.000 2.181 147 I HA -0.367 3.807 4.170 0.006 0.000 0.247 147 I C 2.666 178.776 176.117 -0.013 0.000 1.081 147 I CA 2.121 63.441 61.300 0.034 0.000 1.340 147 I CB -0.629 37.405 38.000 0.057 0.000 1.036 147 I HN 0.499 nan 8.210 nan 0.000 0.417 148 E N 1.087 121.268 120.200 -0.032 0.000 2.150 148 E HA -0.246 4.108 4.350 0.006 0.000 0.193 148 E C 2.015 178.569 176.600 -0.076 0.000 0.985 148 E CA 1.110 57.473 56.400 -0.061 0.000 0.814 148 E CB -0.307 29.356 29.700 -0.061 0.000 0.752 148 E HN 0.535 nan 8.360 nan 0.000 0.466 149 E N 0.869 121.036 120.200 -0.055 0.000 2.158 149 E HA -0.189 4.164 4.350 0.006 0.000 0.191 149 E C 2.012 178.571 176.600 -0.069 0.000 0.982 149 E CA 0.815 57.182 56.400 -0.055 0.000 0.823 149 E CB 0.104 29.785 29.700 -0.033 0.000 0.766 149 E HN 0.451 nan 8.360 nan 0.000 0.468 150 E N 0.390 120.555 120.200 -0.058 0.000 2.058 150 E HA -0.179 4.175 4.350 0.006 0.000 0.194 150 E C 2.172 178.650 176.600 -0.203 0.000 0.997 150 E CA 1.834 58.193 56.400 -0.069 0.000 0.801 150 E CB 0.022 29.737 29.700 0.025 0.000 0.746 150 E HN 0.202 nan 8.360 nan 0.000 0.450 151 V N -2.109 117.640 119.914 -0.274 0.000 2.951 151 V HA 0.263 4.387 4.120 0.006 0.000 0.255 151 V C 1.364 177.297 176.094 -0.268 0.000 1.088 151 V CA 1.259 63.310 62.300 -0.416 0.000 1.109 151 V CB -0.042 31.505 31.823 -0.460 0.000 0.724 151 V HN 0.453 nan 8.190 nan 0.000 0.471 152 G N 0.288 108.981 108.800 -0.178 0.000 2.140 152 G HA2 -0.192 3.771 3.960 0.006 0.000 0.211 152 G HA3 -0.192 3.771 3.960 0.006 0.000 0.211 152 G C 0.067 174.898 174.900 -0.116 0.000 1.013 152 G CA 0.267 45.286 45.100 -0.133 0.000 0.705 152 G HN 0.971 nan 8.290 nan 0.000 0.508 153 R N -0.258 120.171 120.500 -0.119 0.000 2.579 153 R HA 0.449 4.793 4.340 0.006 0.000 0.260 153 R C -3.162 173.070 176.300 -0.114 0.000 1.103 153 R CA -1.434 54.601 56.100 -0.108 0.000 0.942 153 R CB 1.645 31.881 30.300 -0.107 0.000 1.251 153 R HN 0.005 nan 8.270 nan 0.000 0.450 154 P HA 0.191 nan 4.420 nan 0.000 0.268 154 P C -0.453 176.747 177.300 -0.167 0.000 1.204 154 P CA 0.039 63.054 63.100 -0.143 0.000 0.768 154 P CB 0.448 32.045 31.700 -0.172 0.000 0.842 155 I N 3.141 123.632 120.570 -0.132 0.000 2.337 155 I HA 0.158 4.332 4.170 0.006 0.000 0.285 155 I C 0.514 176.560 176.117 -0.117 0.000 1.041 155 I CA -0.607 60.628 61.300 -0.108 0.000 1.199 155 I CB 0.267 38.247 38.000 -0.032 0.000 1.370 155 I HN 0.199 nan 8.210 nan 0.000 0.470 156 N N 5.451 123.995 118.700 -0.259 0.000 2.411 156 N HA -0.070 4.673 4.740 0.006 0.000 0.261 156 N C -0.783 174.816 175.510 0.149 0.000 1.248 156 N CA 0.417 53.303 53.050 -0.273 0.000 0.885 156 N CB 0.715 38.618 38.487 -0.974 0.000 1.062 156 N HN 0.396 nan 8.380 nan 0.000 0.471 157 Y N 2.101 122.423 120.300 0.035 0.000 2.342 157 Y HA 0.284 4.838 4.550 0.006 0.000 0.334 157 Y C -0.443 175.546 175.900 0.148 0.000 1.067 157 Y CA -0.704 57.449 58.100 0.088 0.000 1.128 157 Y CB 0.684 39.149 38.460 0.008 0.000 1.200 157 Y HN 0.559 nan 8.280 nan 0.000 0.464 158 H N 2.778 121.567 119.070 -0.469 0.000 2.894 158 H HA 0.613 5.172 4.556 0.006 0.000 0.367 158 H C -1.189 173.822 175.328 -0.529 0.000 1.144 158 H CA -0.242 55.609 56.048 -0.328 0.000 1.180 158 H CB 1.773 31.532 29.762 -0.005 0.000 1.758 158 H HN 0.718 nan 8.280 nan 0.000 0.541 159 S N 2.231 117.737 115.700 -0.324 0.000 2.873 159 S HA 0.389 4.862 4.470 0.006 0.000 0.303 159 S C -1.945 172.616 174.600 -0.066 0.000 1.222 159 S CA -0.611 57.540 58.200 -0.082 0.000 0.923 159 S CB 0.467 63.645 63.200 -0.036 0.000 1.286 159 S HN 0.507 nan 8.310 nan 0.000 0.571 160 Y N 1.059 121.473 120.300 0.190 0.000 2.331 160 Y HA 0.542 5.096 4.550 0.006 0.000 0.338 160 Y C -0.219 175.729 175.900 0.080 0.000 0.976 160 Y CA -0.710 57.450 58.100 0.100 0.000 1.137 160 Y CB 1.541 39.947 38.460 -0.089 0.000 1.172 160 Y HN 0.240 nan 8.280 nan 0.000 0.478 161 V N 4.101 124.091 119.914 0.127 0.000 2.284 161 V HA 0.374 4.497 4.120 0.006 0.000 0.260 161 V C -0.168 175.908 176.094 -0.030 0.000 1.084 161 V CA 0.206 62.468 62.300 -0.062 0.000 0.894 161 V CB -0.116 31.657 31.823 -0.082 0.000 1.119 161 V HN 0.846 nan 8.190 nan 0.000 0.484 162 S N 2.024 117.699 115.700 -0.042 0.000 2.643 162 S HA 0.900 5.374 4.470 0.006 0.000 0.270 162 S C 0.137 174.718 174.600 -0.033 0.000 1.166 162 S CA 0.173 58.359 58.200 -0.024 0.000 0.815 162 S CB 1.897 65.070 63.200 -0.045 0.000 1.139 162 S HN 1.386 nan 8.310 nan 0.000 0.472 163 G N 0.050 108.850 108.800 -0.001 0.000 2.568 163 G HA2 -0.176 3.787 3.960 0.006 0.000 0.222 163 G HA3 -0.176 3.787 3.960 0.006 0.000 0.222 163 G C 0.623 175.509 174.900 -0.022 0.000 1.321 163 G CA 0.254 45.328 45.100 -0.042 0.000 0.893 163 G HN 1.711 nan 8.290 nan 0.000 0.569 164 V N -2.844 117.065 119.914 -0.009 0.000 3.541 164 V HA 0.641 4.765 4.120 0.006 0.000 0.267 164 V C 1.612 177.723 176.094 0.028 0.000 1.213 164 V CA 1.939 64.253 62.300 0.024 0.000 1.149 164 V CB 0.154 32.012 31.823 0.058 0.000 0.822 164 V HN 2.376 nan 8.190 nan 0.000 0.462 165 A N 0.701 123.529 122.820 0.013 0.000 3.219 165 A HA 0.739 5.062 4.320 0.006 0.000 0.314 165 A C 1.460 179.022 177.584 -0.037 0.000 1.081 165 A CA 0.299 52.340 52.037 0.006 0.000 0.995 165 A CB -0.153 18.861 19.000 0.024 0.000 1.067 165 A HN 0.454 nan 8.150 nan 0.000 0.533 166 G N 1.523 110.300 108.800 -0.037 0.000 2.464 166 G HA2 -0.075 3.889 3.960 0.006 0.000 0.214 166 G HA3 -0.075 3.889 3.960 0.006 0.000 0.214 166 G C -0.362 174.489 174.900 -0.082 0.000 1.218 166 G CA 1.184 46.243 45.100 -0.069 0.000 0.794 166 G HN 0.473 nan 8.290 nan 0.000 0.542 167 P HA -0.060 nan 4.420 nan 0.000 0.215 167 P C 0.922 178.197 177.300 -0.042 0.000 1.157 167 P CA 1.589 64.673 63.100 -0.026 0.000 0.874 167 P CB -0.103 31.608 31.700 0.017 0.000 0.790 168 D N -0.171 120.209 120.400 -0.032 0.000 2.380 168 D HA -0.221 4.423 4.640 0.006 0.000 0.198 168 D C 1.888 178.130 176.300 -0.098 0.000 1.027 168 D CA 1.397 55.373 54.000 -0.040 0.000 0.880 168 D CB -1.192 39.594 40.800 -0.023 0.000 1.064 168 D HN 0.115 nan 8.370 nan 0.000 0.465 169 I N 0.600 121.067 120.570 -0.171 0.000 2.236 169 I HA -0.347 3.827 4.170 0.006 0.000 0.249 169 I C 2.378 178.156 176.117 -0.565 0.000 1.102 169 I CA 1.344 62.415 61.300 -0.382 0.000 1.365 169 I CB -0.333 37.388 38.000 -0.464 0.000 1.051 169 I HN 0.059 nan 8.210 nan 0.000 0.420 170 A N 0.238 122.854 122.820 -0.340 0.000 1.898 170 A HA -0.124 4.200 4.320 0.006 0.000 0.216 170 A C 2.442 180.011 177.584 -0.026 0.000 1.181 170 A CA 1.563 53.480 52.037 -0.199 0.000 0.620 170 A CB -0.916 18.030 19.000 -0.090 0.000 0.819 170 A HN 0.215 nan 8.150 nan 0.000 0.442 171 V N 0.162 120.059 119.914 -0.030 0.000 2.231 171 V HA -0.353 3.771 4.120 0.006 0.000 0.248 171 V C 2.611 178.749 176.094 0.074 0.000 1.054 171 V CA 2.343 64.648 62.300 0.009 0.000 1.015 171 V CB -0.681 31.134 31.823 -0.014 0.000 0.638 171 V HN 0.707 nan 8.190 nan 0.000 0.444 172 M N -1.306 118.334 119.600 0.068 0.000 2.346 172 M HA -0.179 4.304 4.480 0.006 0.000 0.263 172 M C 1.961 178.472 176.300 0.352 0.000 1.064 172 M CA 2.067 57.464 55.300 0.160 0.000 1.083 172 M CB -0.403 32.271 32.600 0.124 0.000 1.399 172 M HN 0.336 nan 8.290 nan 0.000 0.435 173 F N 0.223 120.221 119.950 0.080 0.000 2.179 173 F HA 0.143 4.673 4.527 0.006 0.000 0.292 173 F C 2.710 178.586 175.800 0.128 0.000 1.089 173 F CA 0.916 58.974 58.000 0.096 0.000 1.295 173 F CB -1.490 37.546 39.000 0.060 0.000 1.041 173 F HN 0.186 nan 8.300 nan 0.000 0.487 174 A N -0.288 122.749 122.820 0.361 0.000 2.019 174 A HA -0.181 4.143 4.320 0.006 0.000 0.219 174 A C 2.111 179.905 177.584 0.350 0.000 1.164 174 A CA 1.699 53.957 52.037 0.369 0.000 0.644 174 A CB -0.668 18.557 19.000 0.375 0.000 0.805 174 A HN 0.432 nan 8.150 nan 0.000 0.449 175 E N -0.459 119.885 120.200 0.240 0.000 2.021 175 E HA -0.106 4.247 4.350 0.006 0.000 0.189 175 E C 1.481 178.174 176.600 0.154 0.000 0.980 175 E CA 0.957 57.464 56.400 0.180 0.000 0.803 175 E CB -0.103 29.674 29.700 0.129 0.000 0.766 175 E HN 0.404 nan 8.360 nan 0.000 0.449 176 E N -0.151 120.150 120.200 0.168 0.000 2.511 176 E HA 0.012 4.366 4.350 0.006 0.000 0.196 176 E C 0.570 177.235 176.600 0.109 0.000 1.066 176 E CA 0.584 57.063 56.400 0.132 0.000 0.871 176 E CB 0.204 30.013 29.700 0.182 0.000 0.863 176 E HN 0.413 nan 8.360 nan 0.000 0.520 177 G N 1.233 110.107 108.800 0.122 0.000 2.298 177 G HA2 -0.275 3.689 3.960 0.006 0.000 0.287 177 G HA3 -0.275 3.689 3.960 0.006 0.000 0.287 177 G C 0.283 175.239 174.900 0.093 0.000 1.075 177 G CA 0.301 45.456 45.100 0.092 0.000 0.960 177 G HN 0.149 nan 8.290 nan 0.000 0.502 178 V N 0.077 120.031 119.914 0.067 0.000 2.521 178 V HA 0.112 4.236 4.120 0.006 0.000 0.286 178 V C 1.533 177.641 176.094 0.022 0.000 1.034 178 V CA 0.637 62.934 62.300 -0.004 0.000 1.045 178 V CB 0.983 32.551 31.823 -0.425 0.000 0.974 178 V HN 0.520 nan 8.190 nan 0.000 0.480 179 N N 2.631 121.374 118.700 0.072 0.000 2.409 179 N HA 0.191 4.935 4.740 0.006 0.000 0.179 179 N C 0.612 176.260 175.510 0.230 0.000 1.032 179 N CA 0.826 53.949 53.050 0.120 0.000 0.898 179 N CB 0.177 38.697 38.487 0.056 0.000 0.971 179 N HN 0.823 nan 8.380 nan 0.000 0.441 180 G N -1.491 107.376 108.800 0.112 0.000 2.692 180 G HA2 0.808 4.772 3.960 0.006 0.000 0.291 180 G HA3 0.808 4.772 3.960 0.006 0.000 0.291 180 G C -1.858 172.665 174.900 -0.628 0.000 1.423 180 G CA -0.232 44.824 45.100 -0.072 0.000 0.843 180 G HN 0.238 nan 8.290 nan 0.000 0.486 181 A N -0.163 122.256 122.820 -0.668 0.000 2.601 181 A HA 0.717 5.040 4.320 0.006 0.000 0.291 181 A C -1.552 175.893 177.584 -0.231 0.000 1.075 181 A CA -0.795 50.826 52.037 -0.694 0.000 0.671 181 A CB 0.908 19.826 19.000 -0.137 0.000 1.277 181 A HN 0.842 nan 8.150 nan 0.000 0.417 182 H N 1.169 120.131 119.070 -0.179 0.000 2.646 182 H HA 0.610 5.169 4.556 0.006 0.000 0.325 182 H C -0.199 175.104 175.328 -0.041 0.000 1.075 182 H CA 0.844 56.856 56.048 -0.060 0.000 1.421 182 H CB 0.973 30.678 29.762 -0.094 0.000 1.461 182 H HN 0.437 nan 8.280 nan 0.000 0.525 183 Q N 2.838 122.668 119.800 0.050 0.000 2.371 183 Q HA 0.184 4.527 4.340 0.006 0.000 0.244 183 Q C -1.879 174.129 176.000 0.014 0.000 0.882 183 Q CA -0.541 55.277 55.803 0.026 0.000 0.866 183 Q CB 1.708 30.447 28.738 0.002 0.000 1.399 183 Q HN 0.740 nan 8.270 nan 0.000 0.432 184 D N 5.396 125.801 120.400 0.008 0.000 2.365 184 D HA 0.255 4.898 4.640 0.006 0.000 0.235 184 D C -1.898 174.338 176.300 -0.107 0.000 1.368 184 D CA -1.417 52.567 54.000 -0.026 0.000 1.001 184 D CB 1.902 42.736 40.800 0.057 0.000 1.364 184 D HN 0.167 nan 8.370 nan 0.000 0.577 185 P HA -0.194 nan 4.420 nan 0.000 0.220 185 P C 1.087 178.120 177.300 -0.445 0.000 1.144 185 P CA 1.118 63.846 63.100 -0.620 0.000 0.800 185 P CB 0.579 31.343 31.700 -1.561 0.000 0.772 186 Q N -1.483 118.142 119.800 -0.292 0.000 2.119 186 Q HA -0.195 4.149 4.340 0.006 0.000 0.201 186 Q C 2.282 178.259 176.000 -0.038 0.000 0.972 186 Q CA 1.144 56.894 55.803 -0.089 0.000 0.847 186 Q CB -0.743 27.940 28.738 -0.093 0.000 0.903 186 Q HN 0.270 nan 8.270 nan 0.000 0.433 187 Y N 2.484 122.780 120.300 -0.006 0.000 2.030 187 Y HA -0.345 4.208 4.550 0.006 0.000 0.274 187 Y C 1.946 177.875 175.900 0.049 0.000 1.153 187 Y CA 1.938 60.135 58.100 0.162 0.000 1.115 187 Y CB -0.351 38.190 38.460 0.134 0.000 0.969 187 Y HN 0.126 nan 8.280 nan 0.000 0.488 188 N N -0.081 118.698 118.700 0.131 0.000 2.096 188 N HA -0.223 4.520 4.740 0.006 0.000 0.195 188 N C 1.863 177.312 175.510 -0.101 0.000 1.017 188 N CA 2.005 55.062 53.050 0.012 0.000 0.870 188 N CB -0.678 37.821 38.487 0.020 0.000 1.024 188 N HN 0.352 nan 8.380 nan 0.000 0.434 189 V N 1.665 121.522 119.914 -0.096 0.000 2.283 189 V HA -0.079 4.045 4.120 0.006 0.000 0.239 189 V C 2.530 178.485 176.094 -0.232 0.000 1.035 189 V CA 0.854 63.101 62.300 -0.088 0.000 1.018 189 V CB -0.539 31.317 31.823 0.055 0.000 0.658 189 V HN 0.151 nan 8.190 nan 0.000 0.459 190 L N -0.794 120.183 121.223 -0.411 0.000 1.956 190 L HA -0.247 4.097 4.340 0.006 0.000 0.216 190 L C 2.521 178.969 176.870 -0.703 0.000 1.073 190 L CA 2.229 56.644 54.840 -0.709 0.000 0.762 190 L CB -0.765 40.529 42.059 -1.275 0.000 0.889 190 L HN 0.393 nan 8.230 nan 0.000 0.433 191 Y N -2.022 118.081 120.300 -0.327 0.000 2.509 191 Y HA 0.118 4.672 4.550 0.006 0.000 0.270 191 Y C 2.316 178.008 175.900 -0.346 0.000 1.103 191 Y CA -0.046 57.826 58.100 -0.381 0.000 1.278 191 Y CB 0.007 38.123 38.460 -0.574 0.000 1.087 191 Y HN -0.026 nan 8.280 nan 0.000 0.542 192 R N 0.250 120.598 120.500 -0.254 0.000 2.365 192 R HA 0.107 4.451 4.340 0.006 0.000 0.223 192 R C 0.088 176.381 176.300 -0.012 0.000 0.899 192 R CA -0.062 55.959 56.100 -0.131 0.000 1.059 192 R CB -0.650 29.533 30.300 -0.195 0.000 1.086 192 R HN 0.223 nan 8.270 nan 0.000 0.522 193 N N 0.962 119.627 118.700 -0.059 0.000 2.727 193 N HA -0.206 4.538 4.740 0.006 0.000 0.249 193 N C -0.637 174.880 175.510 0.013 0.000 1.048 193 N CA 0.391 53.426 53.050 -0.024 0.000 0.714 193 N CB -1.301 37.186 38.487 0.000 0.000 0.959 193 N HN 0.277 nan 8.380 nan 0.000 0.544 194 I N 0.093 120.659 120.570 -0.006 0.000 2.764 194 I HA 0.053 4.227 4.170 0.006 0.000 0.294 194 I C 1.322 177.439 176.117 0.001 0.000 1.045 194 I CA -0.596 60.712 61.300 0.013 0.000 1.340 194 I CB 0.567 38.568 38.000 0.001 0.000 1.436 194 I HN 0.256 nan 8.210 nan 0.000 0.567 195 N N 5.005 123.706 118.700 0.002 0.000 2.483 195 N HA 0.008 4.751 4.740 0.006 0.000 0.264 195 N C 0.985 176.496 175.510 0.002 0.000 1.197 195 N CA -0.244 52.791 53.050 -0.026 0.000 0.927 195 N CB 1.010 39.474 38.487 -0.039 0.000 1.065 195 N HN 0.682 nan 8.380 nan 0.000 0.461 196 M N 4.213 123.791 119.600 -0.037 0.000 2.117 196 M HA -0.155 4.328 4.480 0.006 0.000 0.262 196 M C 1.209 177.602 176.300 0.154 0.000 1.065 196 M CA 1.611 56.961 55.300 0.084 0.000 1.114 196 M CB -0.273 32.301 32.600 -0.043 0.000 1.361 196 M HN 0.485 nan 8.290 nan 0.000 0.408 197 I N 0.286 120.787 120.570 -0.113 0.000 2.193 197 I HA -0.183 3.990 4.170 0.006 0.000 0.240 197 I C 2.818 179.008 176.117 0.121 0.000 1.084 197 I CA 1.397 62.697 61.300 -0.000 0.000 1.365 197 I CB -0.715 37.193 38.000 -0.153 0.000 1.064 197 I HN 0.331 nan 8.210 nan 0.000 0.410 198 R N 1.573 122.102 120.500 0.048 0.000 2.097 198 R HA -0.223 4.120 4.340 0.006 0.000 0.236 198 R C 2.462 178.820 176.300 0.097 0.000 1.135 198 R CA 2.484 58.620 56.100 0.060 0.000 0.934 198 R CB -1.181 29.135 30.300 0.028 0.000 0.846 198 R HN 0.256 nan 8.270 nan 0.000 0.431 199 S N -1.088 114.673 115.700 0.102 0.000 2.372 199 S HA -0.178 4.296 4.470 0.006 0.000 0.227 199 S C 1.823 176.436 174.600 0.021 0.000 1.044 199 S CA 1.708 59.941 58.200 0.055 0.000 1.050 199 S CB -0.474 62.760 63.200 0.056 0.000 0.901 199 S HN 0.446 nan 8.310 nan 0.000 0.447 200 F N 0.852 120.830 119.950 0.047 0.000 2.367 200 F HA 0.219 4.749 4.527 0.006 0.000 0.298 200 F C 1.944 177.800 175.800 0.093 0.000 1.094 200 F CA 0.583 58.597 58.000 0.023 0.000 1.409 200 F CB -0.225 38.783 39.000 0.012 0.000 1.064 200 F HN 0.227 nan 8.300 nan 0.000 0.528 201 I N -0.316 120.401 120.570 0.244 0.000 2.193 201 I HA -0.264 3.910 4.170 0.006 0.000 0.240 201 I C 1.976 178.138 176.117 0.075 0.000 1.084 201 I CA 1.199 62.598 61.300 0.165 0.000 1.365 201 I CB -0.487 37.605 38.000 0.154 0.000 1.064 201 I HN -0.050 nan 8.210 nan 0.000 0.410 202 D N 1.262 121.699 120.400 0.061 0.000 2.158 202 D HA -0.216 4.428 4.640 0.006 0.000 0.197 202 D C 2.205 178.490 176.300 -0.025 0.000 0.995 202 D CA 1.672 55.685 54.000 0.022 0.000 0.846 202 D CB -0.248 40.564 40.800 0.020 0.000 0.941 202 D HN 0.401 nan 8.370 nan 0.000 0.456 203 A N 0.285 123.089 122.820 -0.027 0.000 1.969 203 A HA -0.167 4.156 4.320 0.006 0.000 0.218 203 A C 2.534 180.058 177.584 -0.099 0.000 1.169 203 A CA 1.144 53.158 52.037 -0.038 0.000 0.635 203 A CB -0.829 18.146 19.000 -0.041 0.000 0.810 203 A HN 0.354 nan 8.150 nan 0.000 0.445 204 C N -0.970 118.204 119.300 -0.210 0.000 2.413 204 C HA -0.083 4.380 4.460 0.006 0.000 0.276 204 C C 2.663 177.352 174.990 -0.502 0.000 1.248 204 C CA 1.403 59.993 59.018 -0.712 0.000 1.742 204 C CB -1.012 25.955 27.740 -1.288 0.000 2.017 204 C HN 0.773 nan 8.230 nan 0.000 0.481 205 E N 1.630 121.693 120.200 -0.228 0.000 2.007 205 E HA -0.137 4.217 4.350 0.006 0.000 0.194 205 E C 2.247 178.812 176.600 -0.057 0.000 0.999 205 E CA 2.113 58.463 56.400 -0.083 0.000 0.811 205 E CB -0.358 29.332 29.700 -0.017 0.000 0.762 205 E HN 0.560 nan 8.360 nan 0.000 0.450 206 S N 0.834 116.501 115.700 -0.055 0.000 2.369 206 S HA -0.250 4.224 4.470 0.006 0.000 0.225 206 S C 1.843 176.426 174.600 -0.028 0.000 1.043 206 S CA 1.800 59.977 58.200 -0.039 0.000 1.074 206 S CB -0.470 62.701 63.200 -0.049 0.000 0.962 206 S HN 0.268 nan 8.310 nan 0.000 0.433 207 K N 0.488 120.852 120.400 -0.061 0.000 2.281 207 K HA -0.058 4.265 4.320 0.006 0.000 0.203 207 K C 2.175 178.760 176.600 -0.025 0.000 1.046 207 K CA 1.434 57.688 56.287 -0.055 0.000 0.938 207 K CB -0.406 32.024 32.500 -0.117 0.000 0.737 207 K HN 0.389 nan 8.250 nan 0.000 0.458 208 T N 1.593 116.133 114.554 -0.023 0.000 2.809 208 T HA 0.003 4.357 4.350 0.006 0.000 0.260 208 T C 1.940 176.709 174.700 0.115 0.000 1.039 208 T CA 0.706 62.841 62.100 0.058 0.000 1.141 208 T CB -0.098 68.829 68.868 0.098 0.000 0.869 208 T HN 0.113 nan 8.240 nan 0.000 0.437 209 I N 1.139 121.760 120.570 0.085 0.000 2.118 209 I HA -0.263 3.911 4.170 0.006 0.000 0.241 209 I C 2.577 178.830 176.117 0.227 0.000 1.070 209 I CA 1.653 63.023 61.300 0.118 0.000 1.327 209 I CB -0.477 37.556 38.000 0.054 0.000 1.034 209 I HN 0.245 nan 8.210 nan 0.000 0.405 210 M N 0.308 119.999 119.600 0.152 0.000 2.149 210 M HA -0.199 4.285 4.480 0.006 0.000 0.261 210 M C 2.521 178.906 176.300 0.142 0.000 1.064 210 M CA 1.987 57.374 55.300 0.145 0.000 1.102 210 M CB -0.459 32.188 32.600 0.078 0.000 1.369 210 M HN 0.344 nan 8.290 nan 0.000 0.408 211 A N -0.634 122.265 122.820 0.132 0.000 1.933 211 A HA -0.225 4.099 4.320 0.006 0.000 0.218 211 A C 1.842 179.518 177.584 0.154 0.000 1.175 211 A CA 1.392 53.497 52.037 0.114 0.000 0.628 211 A CB -1.180 17.880 19.000 0.100 0.000 0.814 211 A HN 0.779 nan 8.150 nan 0.000 0.444 212 W N 0.656 121.978 121.300 0.035 0.000 2.355 212 W HA -0.074 4.590 4.660 0.006 0.000 0.309 212 W C 2.139 178.682 176.519 0.040 0.000 1.206 212 W CA 2.033 59.401 57.345 0.039 0.000 1.284 212 W CB -0.118 29.368 29.460 0.044 0.000 1.145 212 W HN 0.290 nan 8.180 nan 0.000 0.502 213 A N 0.349 123.314 122.820 0.241 0.000 2.255 213 A HA -0.035 4.288 4.320 0.006 0.000 0.206 213 A C 0.757 178.293 177.584 -0.080 0.000 1.193 213 A CA 1.307 53.359 52.037 0.025 0.000 0.794 213 A CB -1.126 18.039 19.000 0.275 0.000 0.794 213 A HN 0.473 nan 8.150 nan 0.000 0.481 214 D N -1.616 118.740 120.400 -0.073 0.000 2.708 214 D HA -0.176 4.468 4.640 0.006 0.000 0.236 214 D C 0.053 176.364 176.300 0.018 0.000 1.146 214 D CA 1.073 55.051 54.000 -0.037 0.000 0.662 214 D CB -1.572 39.181 40.800 -0.078 0.000 1.059 214 D HN 0.599 nan 8.370 nan 0.000 0.428 215 M N -0.002 119.618 119.600 0.034 0.000 2.291 215 M HA 0.540 5.024 4.480 0.006 0.000 0.324 215 M C 0.886 177.155 176.300 -0.053 0.000 1.148 215 M CA -0.380 54.937 55.300 0.029 0.000 1.104 215 M CB 1.355 33.977 32.600 0.036 0.000 1.483 215 M HN 0.150 nan 8.290 nan 0.000 0.467 216 A N 1.784 124.496 122.820 -0.179 0.000 2.327 216 A HA 0.363 4.686 4.320 0.006 0.000 0.283 216 A C -0.616 176.801 177.584 -0.279 0.000 1.127 216 A CA -0.488 51.306 52.037 -0.405 0.000 0.810 216 A CB 0.658 18.974 19.000 -1.141 0.000 1.066 216 A HN 0.806 nan 8.150 nan 0.000 0.492 217 Q N 1.922 121.605 119.800 -0.195 0.000 2.282 217 Q HA 0.639 4.982 4.340 0.006 0.000 0.260 217 Q C -1.480 174.425 176.000 -0.159 0.000 0.964 217 Q CA -0.424 55.296 55.803 -0.137 0.000 0.880 217 Q CB 1.026 29.727 28.738 -0.062 0.000 1.286 217 Q HN 0.721 nan 8.270 nan 0.000 0.445 218 I N 3.606 124.056 120.570 -0.199 0.000 2.404 218 I HA 0.218 4.391 4.170 0.006 0.000 0.293 218 I C -0.237 175.740 176.117 -0.233 0.000 0.992 218 I CA -0.905 60.219 61.300 -0.294 0.000 1.149 218 I CB 1.676 39.314 38.000 -0.603 0.000 1.315 218 I HN 0.758 nan 8.210 nan 0.000 0.446 224 A N 1.771 124.597 122.820 0.011 0.000 1.929 224 A HA -0.283 4.041 4.320 0.006 0.000 0.221 224 A C 2.058 179.602 177.584 -0.067 0.000 1.211 224 A CA 2.391 54.360 52.037 -0.114 0.000 0.657 224 A CB -1.165 17.500 19.000 -0.559 0.000 0.827 224 A HN 0.954 nan 8.150 nan 0.000 0.462 225 H N -0.879 118.213 119.070 0.036 0.000 2.566 225 H HA 0.004 4.563 4.556 0.006 0.000 0.285 225 H C 1.205 176.518 175.328 -0.025 0.000 1.041 225 H CA 1.086 57.158 56.048 0.040 0.000 1.207 225 H CB -0.658 29.148 29.762 0.073 0.000 1.353 225 H HN 0.522 nan 8.280 nan 0.000 0.604 226 N N 0.899 119.275 118.700 -0.539 0.000 2.376 226 N HA 0.024 4.767 4.740 0.006 0.000 0.177 226 N C 2.001 177.281 175.510 -0.384 0.000 1.024 226 N CA 0.934 53.635 53.050 -0.581 0.000 0.893 226 N CB 0.074 37.973 38.487 -0.981 0.000 0.980 226 N HN 0.512 nan 8.380 nan 0.000 0.439 227 A N 1.241 123.975 122.820 -0.142 0.000 1.969 227 A HA -0.122 4.202 4.320 0.006 0.000 0.218 227 A C 2.034 179.616 177.584 -0.003 0.000 1.169 227 A CA 1.211 53.270 52.037 0.037 0.000 0.635 227 A CB -0.520 18.536 19.000 0.095 0.000 0.810 227 A HN 0.250 nan 8.150 nan 0.000 0.445 228 N N 0.590 119.277 118.700 -0.021 0.000 2.007 228 N HA -0.134 4.609 4.740 0.006 0.000 0.197 228 N C 1.969 177.437 175.510 -0.070 0.000 1.050 228 N CA 2.028 55.066 53.050 -0.021 0.000 0.856 228 N CB -0.455 38.044 38.487 0.020 0.000 1.050 228 N HN 0.436 nan 8.380 nan 0.000 0.423 229 A N -0.121 122.643 122.820 -0.094 0.000 1.915 229 A HA -0.245 4.079 4.320 0.006 0.000 0.220 229 A C 2.178 179.708 177.584 -0.090 0.000 1.198 229 A CA 2.749 54.717 52.037 -0.114 0.000 0.647 229 A CB -1.475 17.447 19.000 -0.130 0.000 0.825 229 A HN 0.578 nan 8.150 nan 0.000 0.456 230 T N -2.923 111.597 114.554 -0.057 0.000 3.107 230 T HA 0.571 4.924 4.350 0.006 0.000 0.249 230 T C 0.675 175.382 174.700 0.013 0.000 1.096 230 T CA 0.449 62.549 62.100 0.000 0.000 1.012 230 T CB -0.390 68.528 68.868 0.083 0.000 0.977 230 T HN 0.723 nan 8.240 nan 0.000 0.527 231 A N 1.839 124.653 122.820 -0.011 0.000 2.425 231 A HA 0.504 4.827 4.320 0.006 0.000 0.249 231 A C 1.521 179.075 177.584 -0.049 0.000 1.084 231 A CA -0.720 51.299 52.037 -0.029 0.000 0.781 231 A CB 0.500 19.470 19.000 -0.051 0.000 1.019 231 A HN 0.188 nan 8.150 nan 0.000 0.490 232 R N 0.902 121.364 120.500 -0.064 0.000 2.070 232 R HA -0.071 4.273 4.340 0.006 0.000 0.232 232 R C -0.226 176.016 176.300 -0.097 0.000 1.138 232 R CA 1.431 57.494 56.100 -0.062 0.000 0.936 232 R CB -0.447 29.811 30.300 -0.071 0.000 0.839 232 R HN 0.852 nan 8.270 nan 0.000 0.429 233 E N -0.680 119.345 120.200 -0.292 0.000 2.185 233 E HA 0.346 4.700 4.350 0.006 0.000 0.261 233 E C -0.097 176.191 176.600 -0.521 0.000 0.879 233 E CA -0.131 55.880 56.400 -0.649 0.000 0.756 233 E CB 1.883 30.603 29.700 -1.633 0.000 1.152 233 E HN 0.155 nan 8.360 nan 0.000 0.416 234 A N 3.379 126.189 122.820 -0.016 0.000 2.125 234 A HA -0.136 4.188 4.320 0.006 0.000 0.219 234 A C 1.452 179.079 177.584 0.071 0.000 1.156 234 A CA 0.965 53.061 52.037 0.099 0.000 0.671 234 A CB -0.662 18.529 19.000 0.318 0.000 0.794 234 A HN 0.917 nan 8.150 nan 0.000 0.459 235 W N -0.662 120.633 121.300 -0.007 0.000 2.905 235 W HA 0.235 4.899 4.660 0.006 0.000 0.251 235 W C 1.162 177.529 176.519 -0.252 0.000 1.305 235 W CA 0.756 58.031 57.345 -0.116 0.000 1.465 235 W CB 0.081 29.477 29.460 -0.107 0.000 1.122 235 W HN 0.078 nan 8.180 nan 0.000 0.659 236 K N 0.615 120.663 120.400 -0.587 0.000 2.426 236 K HA 0.070 4.394 4.320 0.006 0.000 0.193 236 K C 1.514 178.039 176.600 -0.125 0.000 1.028 236 K CA 0.323 56.328 56.287 -0.471 0.000 1.047 236 K CB 0.496 32.745 32.500 -0.419 0.000 0.821 236 K HN 0.143 nan 8.250 nan 0.000 0.513 237 V N 1.110 120.950 119.914 -0.124 0.000 3.649 237 V HA 0.003 4.126 4.120 0.006 0.000 0.275 237 V C 1.400 177.473 176.094 -0.035 0.000 1.281 237 V CA 0.529 62.815 62.300 -0.024 0.000 1.143 237 V CB -0.316 31.485 31.823 -0.037 0.000 0.892 237 V HN 0.300 nan 8.190 nan 0.000 0.441 238 M N 0.841 120.376 119.600 -0.109 0.000 2.108 238 M HA -0.081 4.403 4.480 0.006 0.000 0.261 238 M C -0.172 176.153 176.300 0.041 0.000 1.066 238 M CA 2.222 57.381 55.300 -0.236 0.000 1.107 238 M CB -1.636 30.763 32.600 -0.334 0.000 1.356 238 M HN 0.271 nan 8.290 nan 0.000 0.406 239 P HA -0.198 nan 4.420 nan 0.000 0.215 239 P C 1.166 178.478 177.300 0.020 0.000 1.153 239 P CA 1.375 64.603 63.100 0.213 0.000 0.853 239 P CB -0.155 31.771 31.700 0.375 0.000 0.788 240 E N -0.331 119.877 120.200 0.013 0.000 2.150 240 E HA -0.141 4.212 4.350 0.006 0.000 0.193 240 E C 1.892 178.428 176.600 -0.108 0.000 0.985 240 E CA 0.708 56.991 56.400 -0.194 0.000 0.814 240 E CB -0.533 29.193 29.700 0.043 0.000 0.752 240 E HN 0.128 nan 8.360 nan 0.000 0.466 241 L N 0.222 121.432 121.223 -0.022 0.000 1.994 241 L HA -0.230 4.113 4.340 0.006 0.000 0.208 241 L C 2.801 179.703 176.870 0.054 0.000 1.071 241 L CA 1.437 56.264 54.840 -0.022 0.000 0.745 241 L CB -0.497 41.611 42.059 0.082 0.000 0.892 241 L HN 0.289 nan 8.230 nan 0.000 0.431 242 M N -0.979 118.756 119.600 0.226 0.000 2.149 242 M HA -0.201 4.282 4.480 0.006 0.000 0.261 242 M C 2.310 178.752 176.300 0.236 0.000 1.064 242 M CA 1.385 56.889 55.300 0.339 0.000 1.102 242 M CB -0.629 32.185 32.600 0.358 0.000 1.369 242 M HN 0.118 nan 8.290 nan 0.000 0.408 243 V N 0.364 120.280 119.914 0.003 0.000 2.270 243 V HA -0.257 3.866 4.120 0.006 0.000 0.245 243 V C 2.401 178.514 176.094 0.031 0.000 1.043 243 V CA 1.772 64.028 62.300 -0.073 0.000 1.014 243 V CB -0.721 30.829 31.823 -0.454 0.000 0.645 243 V HN 0.507 nan 8.190 nan 0.000 0.447 244 Q N -1.012 118.786 119.800 -0.002 0.000 2.061 244 Q HA -0.234 4.109 4.340 0.006 0.000 0.204 244 Q C 2.315 178.305 176.000 -0.017 0.000 0.984 244 Q CA 1.831 57.623 55.803 -0.017 0.000 0.846 244 Q CB -0.292 28.403 28.738 -0.071 0.000 0.902 244 Q HN 0.708 nan 8.270 nan 0.000 0.421 245 H N -0.093 119.004 119.070 0.046 0.000 2.319 245 H HA -0.094 4.465 4.556 0.006 0.000 0.299 245 H C 2.083 177.495 175.328 0.141 0.000 1.092 245 H CA 1.472 57.507 56.048 -0.021 0.000 1.302 245 H CB -0.363 29.198 29.762 -0.335 0.000 1.373 245 H HN 0.328 nan 8.280 nan 0.000 0.497 246 A N 1.372 124.451 122.820 0.432 0.000 1.865 246 A HA -0.146 4.178 4.320 0.006 0.000 0.217 246 A C 2.812 180.467 177.584 0.120 0.000 1.191 246 A CA 1.443 53.647 52.037 0.278 0.000 0.623 246 A CB -1.012 18.085 19.000 0.162 0.000 0.826 246 A HN 0.281 nan 8.150 nan 0.000 0.444 247 L N -0.727 120.541 121.223 0.075 0.000 2.012 247 L HA -0.236 4.107 4.340 0.006 0.000 0.210 247 L C 2.576 179.462 176.870 0.027 0.000 1.073 247 L CA 1.989 56.832 54.840 0.005 0.000 0.748 247 L CB -0.687 41.317 42.059 -0.091 0.000 0.891 247 L HN 0.573 nan 8.230 nan 0.000 0.431 248 N N -0.573 118.142 118.700 0.025 0.000 2.244 248 N HA -0.131 4.612 4.740 0.006 0.000 0.183 248 N C 1.808 177.402 175.510 0.139 0.000 1.016 248 N CA 1.331 54.420 53.050 0.064 0.000 0.866 248 N CB 0.155 38.654 38.487 0.020 0.000 0.980 248 N HN 0.149 nan 8.380 nan 0.000 0.430 249 S N 0.263 116.012 115.700 0.082 0.000 2.329 249 S HA -0.066 4.407 4.470 0.006 0.000 0.215 249 S C 1.777 176.444 174.600 0.111 0.000 1.031 249 S CA 0.760 58.966 58.200 0.010 0.000 0.985 249 S CB -0.483 62.532 63.200 -0.307 0.000 0.917 249 S HN 0.324 nan 8.310 nan 0.000 0.441 250 I N 1.560 122.191 120.570 0.101 0.000 2.248 250 I HA -0.182 3.991 4.170 0.006 0.000 0.248 250 I C 1.861 178.086 176.117 0.181 0.000 1.107 250 I CA 1.002 62.390 61.300 0.147 0.000 1.373 250 I CB -0.670 37.391 38.000 0.101 0.000 1.055 250 I HN 0.244 nan 8.210 nan 0.000 0.418 251 F N 0.560 120.526 119.950 0.026 0.000 2.102 251 F HA -0.232 4.299 4.527 0.006 0.000 0.298 251 F C 2.681 178.492 175.800 0.017 0.000 1.105 251 F CA 2.031 60.040 58.000 0.015 0.000 1.239 251 F CB -0.716 38.281 39.000 -0.004 0.000 0.991 251 F HN 0.033 nan 8.300 nan 0.000 0.474 252 S N 0.390 116.136 115.700 0.077 0.000 2.382 252 S HA -0.152 4.322 4.470 0.006 0.000 0.228 252 S C 1.870 176.464 174.600 -0.010 0.000 1.027 252 S CA 1.162 59.350 58.200 -0.019 0.000 0.991 252 S CB -0.596 62.651 63.200 0.078 0.000 0.823 252 S HN 0.351 nan 8.310 nan 0.000 0.469 253 L N 2.303 123.572 121.223 0.077 0.000 1.976 253 L HA -0.070 4.273 4.340 0.006 0.000 0.209 253 L C 2.104 178.991 176.870 0.029 0.000 1.071 253 L CA 1.832 56.724 54.840 0.087 0.000 0.746 253 L CB -0.522 41.631 42.059 0.157 0.000 0.890 253 L HN 0.070 nan 8.230 nan 0.000 0.432 254 K N -0.834 119.575 120.400 0.014 0.000 2.152 254 K HA -0.107 4.216 4.320 0.006 0.000 0.206 254 K C 2.028 178.627 176.600 -0.002 0.000 1.048 254 K CA 1.481 57.773 56.287 0.009 0.000 0.933 254 K CB -0.678 31.833 32.500 0.019 0.000 0.721 254 K HN 0.297 nan 8.250 nan 0.000 0.447 255 V N 0.164 120.019 119.914 -0.098 0.000 2.490 255 V HA -0.139 3.985 4.120 0.006 0.000 0.250 255 V C 1.700 177.815 176.094 0.035 0.000 1.061 255 V CA 1.979 64.245 62.300 -0.056 0.000 1.064 255 V CB -0.429 31.194 31.823 -0.333 0.000 0.670 255 V HN 0.687 nan 8.190 nan 0.000 0.461 256 G N -1.953 106.854 108.800 0.011 0.000 2.273 256 G HA2 -0.156 3.808 3.960 0.006 0.000 0.162 256 G HA3 -0.156 3.808 3.960 0.006 0.000 0.162 256 G C 0.117 175.038 174.900 0.034 0.000 1.006 256 G CA -0.150 44.971 45.100 0.036 0.000 0.704 256 G HN 0.285 nan 8.290 nan 0.000 0.487 257 M N 0.940 120.555 119.600 0.025 0.000 2.252 257 M HA 0.210 4.693 4.480 0.006 0.000 0.321 257 M C 0.766 177.088 176.300 0.037 0.000 1.070 257 M CA 0.727 56.048 55.300 0.035 0.000 1.143 257 M CB 0.357 32.979 32.600 0.036 0.000 1.498 257 M HN 0.055 nan 8.290 nan 0.000 0.445 258 K N 1.768 122.187 120.400 0.033 0.000 2.270 258 K HA 0.110 4.433 4.320 0.006 0.000 0.276 258 K C 0.820 177.426 176.600 0.011 0.000 1.023 258 K CA -0.330 55.967 56.287 0.017 0.000 0.955 258 K CB 0.983 33.497 32.500 0.023 0.000 0.975 258 K HN 0.512 nan 8.250 nan 0.000 0.471 259 K N 0.831 121.198 120.400 -0.056 0.000 2.074 259 K HA -0.172 4.152 4.320 0.006 0.000 0.209 259 K C 1.505 178.057 176.600 -0.080 0.000 1.048 259 K CA 2.133 58.321 56.287 -0.166 0.000 0.926 259 K CB -0.091 32.174 32.500 -0.391 0.000 0.713 259 K HN 0.649 nan 8.250 nan 0.000 0.444 260 S N 0.571 116.241 115.700 -0.049 0.000 2.727 260 S HA 0.034 4.508 4.470 0.006 0.000 0.226 260 S C 0.969 175.645 174.600 0.127 0.000 0.963 260 S CA 0.365 58.565 58.200 0.001 0.000 0.950 260 S CB 0.013 63.204 63.200 -0.015 0.000 0.779 260 S HN 0.209 nan 8.310 nan 0.000 0.532 261 N N 0.628 119.382 118.700 0.089 0.000 2.181 261 N HA 0.363 5.106 4.740 0.006 0.000 0.207 261 N C -0.459 175.060 175.510 0.015 0.000 1.182 261 N CA 0.003 53.085 53.050 0.054 0.000 0.893 261 N CB 0.445 38.949 38.487 0.029 0.000 1.032 261 N HN 0.428 nan 8.380 nan 0.000 0.513 262 I N 1.237 121.862 120.570 0.091 0.000 2.312 262 I HA 0.177 4.350 4.170 0.006 0.000 0.291 262 I C -0.360 175.823 176.117 0.110 0.000 1.031 262 I CA -0.261 61.117 61.300 0.131 0.000 1.293 262 I CB 0.831 39.012 38.000 0.301 0.000 1.403 262 I HN -0.120 nan 8.210 nan 0.000 0.484 263 C N 7.418 126.719 119.300 0.002 0.000 2.316 263 C HA 0.460 4.924 4.460 0.006 0.000 0.324 263 C C 0.000 174.941 174.990 -0.083 0.000 1.226 263 C CA -0.846 58.144 59.018 -0.047 0.000 1.450 263 C CB 0.318 27.990 27.740 -0.113 0.000 2.123 263 C HN 0.467 nan 8.230 nan 0.000 0.454 264 L N 2.951 124.085 121.223 -0.148 0.000 2.410 264 L HA 0.231 4.575 4.340 0.006 0.000 0.273 264 L C 0.930 177.714 176.870 -0.143 0.000 1.144 264 L CA 0.816 55.502 54.840 -0.258 0.000 0.863 264 L CB 0.463 42.056 42.059 -0.777 0.000 1.140 264 L HN 0.688 nan 8.230 nan 0.000 0.463 265 S N 1.971 117.707 115.700 0.060 0.000 2.400 265 S HA 0.290 4.764 4.470 0.006 0.000 0.295 265 S C 0.051 174.757 174.600 0.177 0.000 1.113 265 S CA -0.349 57.880 58.200 0.048 0.000 1.064 265 S CB -0.155 63.078 63.200 0.055 0.000 0.990 265 S HN 0.657 nan 8.310 nan 0.000 0.502 266 T N 5.491 120.074 114.554 0.049 0.000 2.892 266 T HA 0.466 4.819 4.350 0.006 0.000 0.311 266 T C -0.856 173.913 174.700 0.116 0.000 1.033 266 T CA -0.495 61.678 62.100 0.121 0.000 0.991 266 T CB 0.339 69.189 68.868 -0.030 0.000 0.981 266 T HN 0.331 nan 8.240 nan 0.000 0.457 267 V N 8.748 128.772 119.914 0.184 0.000 2.383 267 V HA 0.379 4.503 4.120 0.006 0.000 0.275 267 V C -2.076 174.146 176.094 0.214 0.000 1.036 267 V CA -2.120 60.276 62.300 0.160 0.000 0.889 267 V CB 1.199 33.111 31.823 0.148 0.000 0.985 267 V HN 0.734 nan 8.190 nan 0.000 0.459 268 P HA 0.091 nan 4.420 nan 0.000 0.258 268 P C -2.161 175.265 177.300 0.210 0.000 1.187 268 P CA -0.753 62.475 63.100 0.213 0.000 0.767 268 P CB 0.109 31.905 31.700 0.160 0.000 0.770 269 P HA -0.059 nan 4.420 nan 0.000 0.230 269 P C 0.202 177.703 177.300 0.335 0.000 1.158 269 P CA 1.191 64.424 63.100 0.221 0.000 0.769 269 P CB 0.145 31.929 31.700 0.141 0.000 0.807 270 T N -4.025 110.690 114.554 0.268 0.000 2.887 270 T HA 0.827 5.181 4.350 0.006 0.000 0.292 270 T C -0.896 173.896 174.700 0.153 0.000 1.087 270 T CA -1.000 61.235 62.100 0.226 0.000 1.009 270 T CB 2.382 71.280 68.868 0.050 0.000 1.203 270 T HN -0.043 nan 8.240 nan 0.000 0.518 271 A N 0.747 123.591 122.820 0.040 0.000 2.594 271 A HA 0.888 5.212 4.320 0.006 0.000 0.291 271 A C -3.160 174.379 177.584 -0.075 0.000 1.105 271 A CA -1.945 50.109 52.037 0.027 0.000 0.694 271 A CB 0.697 19.762 19.000 0.110 0.000 1.291 271 A HN 0.664 nan 8.150 nan 0.000 0.410 272 P HA 0.179 nan 4.420 nan 0.000 0.268 272 P C -1.792 175.452 177.300 -0.094 0.000 1.208 272 P CA -0.558 62.495 63.100 -0.079 0.000 0.777 272 P CB 0.172 31.841 31.700 -0.050 0.000 0.875 273 P HA 0.087 nan 4.420 nan 0.000 0.245 273 P C 0.032 177.242 177.300 -0.151 0.000 1.212 273 P CA 0.254 63.287 63.100 -0.112 0.000 0.774 273 P CB 0.089 31.730 31.700 -0.097 0.000 0.999 274 A N 2.859 125.554 122.820 -0.208 0.000 2.445 274 A HA 0.313 4.637 4.320 0.006 0.000 0.242 274 A C -1.819 175.656 177.584 -0.181 0.000 1.075 274 A CA -1.188 50.691 52.037 -0.264 0.000 0.777 274 A CB -0.725 18.040 19.000 -0.392 0.000 1.013 274 A HN 0.058 nan 8.150 nan 0.000 0.493 275 P HA 0.002 nan 4.420 nan 0.000 0.258 275 P C 0.749 178.030 177.300 -0.032 0.000 1.563 275 P CA 0.586 63.627 63.100 -0.099 0.000 1.241 275 P CB -0.010 31.616 31.700 -0.123 0.000 1.811 276 S N 2.785 118.469 115.700 -0.027 0.000 2.371 276 S HA -0.129 4.345 4.470 0.006 0.000 0.224 276 S C 1.879 176.516 174.600 0.062 0.000 1.029 276 S CA 0.547 58.751 58.200 0.006 0.000 0.978 276 S CB -0.659 62.545 63.200 0.007 0.000 0.833 276 S HN 0.051 nan 8.310 nan 0.000 0.466 277 M N 0.414 120.058 119.600 0.073 0.000 2.080 277 M HA -0.037 4.447 4.480 0.006 0.000 0.260 277 M C 2.158 178.527 176.300 0.116 0.000 1.068 277 M CA 1.641 56.994 55.300 0.088 0.000 1.109 277 M CB -1.456 31.192 32.600 0.080 0.000 1.342 277 M HN 0.441 nan 8.290 nan 0.000 0.405 278 Y N 1.205 121.505 120.300 -0.001 0.000 2.081 278 Y HA -0.247 4.307 4.550 0.006 0.000 0.280 278 Y C 2.312 178.220 175.900 0.013 0.000 1.163 278 Y CA 1.904 60.005 58.100 0.001 0.000 1.135 278 Y CB -0.494 37.953 38.460 -0.022 0.000 0.970 278 Y HN 0.099 nan 8.280 nan 0.000 0.498 279 L N -0.484 120.826 121.223 0.145 0.000 2.083 279 L HA -0.233 4.110 4.340 0.006 0.000 0.209 279 L C 1.732 178.655 176.870 0.089 0.000 1.083 279 L CA 1.613 56.498 54.840 0.075 0.000 0.752 279 L CB -0.410 41.665 42.059 0.026 0.000 0.899 279 L HN 0.209 nan 8.230 nan 0.000 0.433 280 D N -0.979 119.483 120.400 0.105 0.000 2.301 280 D HA -0.043 4.601 4.640 0.006 0.000 0.206 280 D C 1.992 178.378 176.300 0.143 0.000 0.979 280 D CA 0.384 54.480 54.000 0.159 0.000 0.874 280 D CB 0.178 41.072 40.800 0.156 0.000 0.968 280 D HN 0.094 nan 8.370 nan 0.000 0.510 281 L N 1.387 122.653 121.223 0.072 0.000 2.093 281 L HA 0.046 4.390 4.340 0.006 0.000 0.208 281 L C -1.074 175.810 176.870 0.024 0.000 1.085 281 L CA 1.775 56.637 54.840 0.037 0.000 0.755 281 L CB -1.272 40.794 42.059 0.011 0.000 0.904 281 L HN -0.106 nan 8.230 nan 0.000 0.435 282 P HA -0.219 nan 4.420 nan 0.000 0.216 282 P C 1.354 178.717 177.300 0.104 0.000 1.153 282 P CA 1.437 64.556 63.100 0.033 0.000 0.848 282 P CB -0.304 31.401 31.700 0.009 0.000 0.787 283 Y N 0.949 121.273 120.300 0.040 0.000 2.224 283 Y HA -0.172 4.382 4.550 0.006 0.000 0.289 283 Y C 2.275 178.209 175.900 0.057 0.000 1.146 283 Y CA 1.391 59.531 58.100 0.067 0.000 1.182 283 Y CB -1.133 37.379 38.460 0.086 0.000 0.983 283 Y HN -0.129 nan 8.280 nan 0.000 0.524 284 A N -0.419 122.304 122.820 -0.162 0.000 1.908 284 A HA -0.171 4.153 4.320 0.006 0.000 0.218 284 A C 2.342 179.827 177.584 -0.164 0.000 1.181 284 A CA 2.294 54.198 52.037 -0.221 0.000 0.627 284 A CB -1.330 17.626 19.000 -0.073 0.000 0.818 284 A HN 0.341 nan 8.150 nan 0.000 0.445 285 V N -0.241 119.627 119.914 -0.076 0.000 2.270 285 V HA -0.203 3.920 4.120 0.006 0.000 0.245 285 V C 3.067 179.144 176.094 -0.028 0.000 1.043 285 V CA 1.875 64.151 62.300 -0.040 0.000 1.014 285 V CB -1.414 30.401 31.823 -0.013 0.000 0.645 285 V HN 0.615 nan 8.190 nan 0.000 0.447 286 A N -0.142 122.672 122.820 -0.010 0.000 1.883 286 A HA -0.248 4.076 4.320 0.006 0.000 0.217 286 A C 2.213 179.826 177.584 0.048 0.000 1.186 286 A CA 2.304 54.363 52.037 0.037 0.000 0.624 286 A CB -0.715 18.340 19.000 0.093 0.000 0.822 286 A HN 0.433 nan 8.150 nan 0.000 0.444 287 L N -0.741 120.444 121.223 -0.063 0.000 2.013 287 L HA -0.189 4.155 4.340 0.006 0.000 0.212 287 L C 2.555 179.467 176.870 0.070 0.000 1.073 287 L CA 2.172 56.987 54.840 -0.042 0.000 0.753 287 L CB -0.391 41.408 42.059 -0.433 0.000 0.890 287 L HN 0.286 nan 8.230 nan 0.000 0.432 288 R N -0.346 120.137 120.500 -0.028 0.000 2.120 288 R HA -0.117 4.227 4.340 0.006 0.000 0.234 288 R C 2.189 178.532 176.300 0.071 0.000 1.123 288 R CA 1.377 57.485 56.100 0.013 0.000 0.975 288 R CB -0.304 29.979 30.300 -0.028 0.000 0.866 288 R HN 0.517 nan 8.270 nan 0.000 0.446 289 E N -0.972 119.266 120.200 0.063 0.000 2.122 289 E HA -0.111 4.243 4.350 0.006 0.000 0.190 289 E C 1.575 178.212 176.600 0.062 0.000 0.977 289 E CA 0.936 57.367 56.400 0.052 0.000 0.820 289 E CB -0.000 29.720 29.700 0.034 0.000 0.770 289 E HN 0.112 nan 8.360 nan 0.000 0.462 290 M N -0.517 119.142 119.600 0.099 0.000 2.492 290 M HA 0.032 4.515 4.480 0.006 0.000 0.262 290 M C 0.378 176.583 176.300 -0.160 0.000 1.090 290 M CA 1.277 56.574 55.300 -0.006 0.000 1.110 290 M CB 0.378 32.989 32.600 0.019 0.000 1.407 290 M HN -0.051 nan 8.290 nan 0.000 0.470 291 F N -0.025 119.950 119.950 0.040 0.000 2.708 291 F HA 0.324 4.855 4.527 0.006 0.000 0.300 291 F C 0.334 176.238 175.800 0.174 0.000 1.118 291 F CA -0.663 57.411 58.000 0.123 0.000 1.307 291 F CB -0.225 38.777 39.000 0.003 0.000 0.986 291 F HN -0.012 nan 8.300 nan 0.000 0.522 292 E N 0.578 120.885 120.200 0.178 0.000 2.765 292 E HA 0.186 4.540 4.350 0.006 0.000 0.256 292 E C 1.241 177.873 176.600 0.054 0.000 0.935 292 E CA 1.431 57.882 56.400 0.085 0.000 0.954 292 E CB 0.162 29.878 29.700 0.027 0.000 0.908 292 E HN 0.621 nan 8.360 nan 0.000 0.500 293 G N 3.036 111.829 108.800 -0.012 0.000 2.376 293 G HA2 -0.272 3.691 3.960 0.006 0.000 0.208 293 G HA3 -0.272 3.691 3.960 0.006 0.000 0.208 293 G C -0.358 174.410 174.900 -0.220 0.000 1.032 293 G CA -0.084 44.920 45.100 -0.161 0.000 0.641 293 G HN 0.517 nan 8.290 nan 0.000 0.503 294 Y N 1.763 122.078 120.300 0.025 0.000 2.260 294 Y HA 0.701 5.255 4.550 0.006 0.000 0.339 294 Y C 1.323 177.200 175.900 -0.037 0.000 1.317 294 Y CA -0.353 57.761 58.100 0.022 0.000 1.514 294 Y CB 0.435 38.958 38.460 0.104 0.000 1.382 294 Y HN 0.014 nan 8.280 nan 0.000 0.581 295 R N 1.454 122.029 120.500 0.125 0.000 2.404 295 R HA 0.334 4.677 4.340 0.006 0.000 0.291 295 R C -0.844 175.445 176.300 -0.018 0.000 1.025 295 R CA -0.573 55.531 56.100 0.005 0.000 0.991 295 R CB 0.906 31.224 30.300 0.030 0.000 1.053 295 R HN 0.562 nan 8.270 nan 0.000 0.479 296 M N 2.878 122.449 119.600 -0.049 0.000 2.129 296 M HA 0.275 4.759 4.480 0.006 0.000 0.348 296 M C 0.465 176.740 176.300 -0.040 0.000 1.116 296 M CA -0.326 54.927 55.300 -0.078 0.000 1.022 296 M CB 0.978 33.528 32.600 -0.083 0.000 1.599 296 M HN 0.174 nan 8.290 nan 0.000 0.449 297 R N 2.958 123.420 120.500 -0.062 0.000 2.575 297 R HA 0.536 4.880 4.340 0.006 0.000 0.281 297 R C -0.887 175.386 176.300 -0.046 0.000 1.272 297 R CA -0.131 55.948 56.100 -0.034 0.000 1.417 297 R CB 0.274 30.536 30.300 -0.064 0.000 1.121 297 R HN 0.830 nan 8.270 nan 0.000 0.583 298 A N 2.884 125.690 122.820 -0.022 0.000 2.540 298 A HA 0.085 4.408 4.320 0.006 0.000 0.239 298 A C -0.001 177.571 177.584 -0.021 0.000 1.061 298 A CA 0.186 52.215 52.037 -0.014 0.000 0.758 298 A CB 0.464 19.465 19.000 0.002 0.000 0.991 298 A HN 0.737 nan 8.150 nan 0.000 0.502 299 Q N 1.515 121.300 119.800 -0.025 0.000 2.484 299 Q HA 0.740 5.083 4.340 0.006 0.000 0.285 299 Q C -0.850 175.141 176.000 -0.015 0.000 1.097 299 Q CA -0.392 55.381 55.803 -0.050 0.000 0.802 299 Q CB 1.305 29.973 28.738 -0.117 0.000 1.444 299 Q HN 0.732 nan 8.270 nan 0.000 0.429 300 M N 1.553 121.127 119.600 -0.043 0.000 2.471 300 M HA 0.410 4.893 4.480 0.006 0.000 0.309 300 M C -0.049 176.296 176.300 0.075 0.000 1.186 300 M CA -0.919 54.374 55.300 -0.011 0.000 1.008 300 M CB 1.051 33.512 32.600 -0.233 0.000 1.551 300 M HN 0.806 nan 8.290 nan 0.000 0.477 301 N N 0.385 119.191 118.700 0.176 0.000 2.356 301 N HA -0.045 4.698 4.740 0.006 0.000 0.252 301 N C 0.358 175.961 175.510 0.154 0.000 1.241 301 N CA 0.905 54.059 53.050 0.173 0.000 0.861 301 N CB 0.591 39.200 38.487 0.203 0.000 1.075 301 N HN 0.746 nan 8.380 nan 0.000 0.461 302 T N -0.184 114.412 114.554 0.070 0.000 2.993 302 T HA 0.130 4.483 4.350 0.006 0.000 0.260 302 T C 1.356 176.035 174.700 -0.034 0.000 0.939 302 T CA -0.272 61.850 62.100 0.036 0.000 0.886 302 T CB -0.219 68.660 68.868 0.018 0.000 1.209 302 T HN 0.499 nan 8.240 nan 0.000 0.518 303 K N 0.427 120.757 120.400 -0.116 0.000 2.031 303 K HA 0.039 4.363 4.320 0.006 0.000 0.205 303 K C -0.079 176.321 176.600 -0.334 0.000 1.049 303 K CA 0.864 56.960 56.287 -0.318 0.000 0.939 303 K CB 0.036 32.184 32.500 -0.585 0.000 0.717 303 K HN 0.395 nan 8.250 nan 0.000 0.438 304 Y N 0.906 121.234 120.300 0.047 0.000 2.845 304 Y HA 0.308 4.861 4.550 0.006 0.000 0.385 304 Y C 0.027 175.930 175.900 0.005 0.000 1.133 304 Y CA -0.337 57.784 58.100 0.035 0.000 1.660 304 Y CB 0.101 38.591 38.460 0.050 0.000 1.683 304 Y HN 0.089 nan 8.280 nan 0.000 0.503 305 M N 0.038 119.687 119.600 0.082 0.000 2.716 305 M HA 0.528 5.011 4.480 0.006 0.000 0.307 305 M C -0.759 175.542 176.300 0.002 0.000 1.223 305 M CA -0.217 55.096 55.300 0.021 0.000 0.871 305 M CB 2.307 34.906 32.600 -0.001 0.000 1.739 305 M HN 0.153 nan 8.290 nan 0.000 0.475 306 E N 0.180 120.361 120.200 -0.032 0.000 2.151 306 E HA 0.522 4.876 4.350 0.006 0.000 0.197 306 E C -0.669 175.885 176.600 -0.076 0.000 1.085 306 E CA 0.095 56.471 56.400 -0.040 0.000 0.873 306 E CB 1.477 31.163 29.700 -0.025 0.000 2.021 306 E HN 0.738 nan 8.360 nan 0.000 0.468 307 A N 0.331 123.104 122.820 -0.078 0.000 2.238 307 A HA 0.086 4.409 4.320 0.006 0.000 0.210 307 A C 0.849 178.358 177.584 -0.125 0.000 1.179 307 A CA 0.729 52.700 52.037 -0.109 0.000 0.827 307 A CB -0.059 18.886 19.000 -0.092 0.000 0.856 307 A HN 0.184 nan 8.150 nan 0.000 0.488 308 S N 0.149 115.788 115.700 -0.101 0.000 2.545 308 S HA 0.294 4.768 4.470 0.006 0.000 0.275 308 S C 1.110 175.634 174.600 -0.128 0.000 1.299 308 S CA 0.404 58.545 58.200 -0.098 0.000 1.048 308 S CB 0.983 64.144 63.200 -0.066 0.000 0.938 308 S HN 0.537 nan 8.310 nan 0.000 0.496 309 T N 2.008 116.480 114.554 -0.136 0.000 3.037 309 T HA 0.153 4.506 4.350 0.006 0.000 0.251 309 T C 1.671 176.318 174.700 -0.088 0.000 1.079 309 T CA -0.094 61.914 62.100 -0.154 0.000 1.067 309 T CB -0.151 68.585 68.868 -0.221 0.000 0.948 309 T HN 0.650 nan 8.240 nan 0.000 0.496 310 R N 1.401 121.863 120.500 -0.062 0.000 2.073 310 R HA -0.016 4.327 4.340 0.006 0.000 0.229 310 R C 2.331 178.594 176.300 -0.062 0.000 1.120 310 R CA 1.424 57.499 56.100 -0.041 0.000 0.967 310 R CB -0.289 29.997 30.300 -0.024 0.000 0.862 310 R HN 0.593 nan 8.270 nan 0.000 0.436 311 E N 0.013 120.167 120.200 -0.076 0.000 2.051 311 E HA -0.186 4.168 4.350 0.006 0.000 0.192 311 E C 1.771 178.286 176.600 -0.143 0.000 0.991 311 E CA 1.290 57.639 56.400 -0.086 0.000 0.799 311 E CB -0.080 29.576 29.700 -0.073 0.000 0.748 311 E HN 0.448 nan 8.360 nan 0.000 0.449 312 A N 0.266 122.968 122.820 -0.196 0.000 1.877 312 A HA -0.155 4.169 4.320 0.006 0.000 0.216 312 A C 2.411 179.658 177.584 -0.560 0.000 1.186 312 A CA 1.997 53.802 52.037 -0.386 0.000 0.620 312 A CB -0.982 17.828 19.000 -0.315 0.000 0.822 312 A HN 0.312 nan 8.150 nan 0.000 0.443 313 T N -0.299 114.110 114.554 -0.242 0.000 2.720 313 T HA -0.132 4.222 4.350 0.006 0.000 0.268 313 T C 1.884 176.555 174.700 -0.049 0.000 1.037 313 T CA 1.651 63.708 62.100 -0.072 0.000 1.144 313 T CB -0.408 68.471 68.868 0.018 0.000 0.864 313 T HN 0.149 nan 8.240 nan 0.000 0.444 314 V N 1.350 121.224 119.914 -0.067 0.000 2.332 314 V HA -0.190 3.933 4.120 0.006 0.000 0.248 314 V C 2.741 178.818 176.094 -0.029 0.000 1.055 314 V CA 2.077 64.358 62.300 -0.032 0.000 1.038 314 V CB -1.037 30.766 31.823 -0.033 0.000 0.651 314 V HN 0.524 nan 8.190 nan 0.000 0.450 315 T N -1.466 113.036 114.554 -0.087 0.000 2.867 315 T HA -0.169 4.185 4.350 0.006 0.000 0.268 315 T C 1.628 176.361 174.700 0.055 0.000 1.057 315 T CA 1.520 63.596 62.100 -0.040 0.000 1.136 315 T CB -0.350 68.476 68.868 -0.070 0.000 0.874 315 T HN 0.674 nan 8.240 nan 0.000 0.466 316 H N -0.219 118.869 119.070 0.031 0.000 2.428 316 H HA 0.044 4.604 4.556 0.006 0.000 0.296 316 H C 2.249 177.598 175.328 0.035 0.000 1.062 316 H CA 0.571 56.639 56.048 0.034 0.000 1.350 316 H CB 0.134 29.914 29.762 0.030 0.000 1.403 316 H HN 0.146 nan 8.280 nan 0.000 0.533 317 V N 1.072 121.074 119.914 0.147 0.000 2.453 317 V HA -0.207 3.916 4.120 0.006 0.000 0.247 317 V C 2.289 178.429 176.094 0.076 0.000 1.048 317 V CA 1.251 63.608 62.300 0.095 0.000 1.049 317 V CB -0.380 31.483 31.823 0.067 0.000 0.672 317 V HN 0.368 nan 8.190 nan 0.000 0.457 318 L N 0.079 121.344 121.223 0.070 0.000 2.083 318 L HA -0.174 4.169 4.340 0.006 0.000 0.209 318 L C 2.266 179.181 176.870 0.076 0.000 1.083 318 L CA 1.872 56.750 54.840 0.062 0.000 0.752 318 L CB -0.965 41.125 42.059 0.052 0.000 0.899 318 L HN 0.424 nan 8.230 nan 0.000 0.433 319 N N 0.311 119.073 118.700 0.103 0.000 2.094 319 N HA -0.209 4.534 4.740 0.006 0.000 0.191 319 N C 1.953 177.508 175.510 0.074 0.000 1.023 319 N CA 1.021 54.133 53.050 0.103 0.000 0.857 319 N CB -0.170 38.396 38.487 0.132 0.000 1.013 319 N HN 0.260 nan 8.380 nan 0.000 0.426 320 L N 0.381 121.647 121.223 0.072 0.000 2.141 320 L HA -0.126 4.218 4.340 0.006 0.000 0.209 320 L C 2.233 179.130 176.870 0.044 0.000 1.094 320 L CA 0.385 55.258 54.840 0.054 0.000 0.763 320 L CB -0.217 41.876 42.059 0.057 0.000 0.908 320 L HN 0.232 nan 8.230 nan 0.000 0.437 321 L N -0.239 121.012 121.223 0.047 0.000 2.046 321 L HA -0.222 4.122 4.340 0.006 0.000 0.208 321 L C 2.369 179.259 176.870 0.034 0.000 1.077 321 L CA 1.680 56.542 54.840 0.037 0.000 0.747 321 L CB -0.388 41.693 42.059 0.037 0.000 0.896 321 L HN 0.086 nan 8.230 nan 0.000 0.432 322 I N -0.770 119.825 120.570 0.041 0.000 2.163 322 I HA -0.289 3.884 4.170 0.006 0.000 0.243 322 I C 2.461 178.591 176.117 0.021 0.000 1.085 322 I CA 1.602 62.923 61.300 0.036 0.000 1.347 322 I CB -1.479 36.552 38.000 0.051 0.000 1.044 322 I HN 0.292 nan 8.210 nan 0.000 0.408 323 S N 0.656 116.369 115.700 0.022 0.000 2.368 323 S HA -0.203 4.271 4.470 0.006 0.000 0.225 323 S C 1.977 176.582 174.600 0.009 0.000 1.030 323 S CA 1.304 59.511 58.200 0.012 0.000 0.999 323 S CB -0.243 62.968 63.200 0.018 0.000 0.844 323 S HN 0.259 nan 8.310 nan 0.000 0.459 324 K N 1.625 122.034 120.400 0.016 0.000 2.103 324 K HA 0.061 4.385 4.320 0.006 0.000 0.207 324 K C 1.699 178.304 176.600 0.007 0.000 1.048 324 K CA 1.157 57.452 56.287 0.013 0.000 0.930 324 K CB -0.532 31.978 32.500 0.017 0.000 0.716 324 K HN 0.340 nan 8.250 nan 0.000 0.444 325 L N -0.181 121.047 121.223 0.008 0.000 2.395 325 L HA -0.032 4.312 4.340 0.006 0.000 0.218 325 L C 1.917 178.786 176.870 -0.003 0.000 1.130 325 L CA 1.213 56.056 54.840 0.005 0.000 0.826 325 L CB -0.409 41.655 42.059 0.009 0.000 0.941 325 L HN 0.444 nan 8.230 nan 0.000 0.451 326 T N -2.577 111.973 114.554 -0.008 0.000 3.330 326 T HA 0.253 4.607 4.350 0.006 0.000 0.185 326 T C 0.474 175.161 174.700 -0.021 0.000 0.874 326 T CA -0.440 61.649 62.100 -0.018 0.000 1.268 326 T CB 0.596 69.445 68.868 -0.032 0.000 1.866 326 T HN 0.108 nan 8.240 nan 0.000 0.395 327 R N 0.025 120.509 120.500 -0.026 0.000 2.725 327 R HA 0.591 4.934 4.340 0.006 0.000 0.254 327 R C -2.426 173.857 176.300 -0.027 0.000 1.076 327 R CA -0.289 55.794 56.100 -0.029 0.000 0.940 327 R CB 1.391 31.667 30.300 -0.040 0.000 1.260 327 R HN 0.807 nan 8.270 nan 0.000 0.466 328 A N 3.306 126.117 122.820 -0.016 0.000 2.499 328 A HA 0.319 4.642 4.320 0.006 0.000 0.280 328 A C -0.415 177.177 177.584 0.014 0.000 1.135 328 A CA -0.745 51.292 52.037 0.001 0.000 0.744 328 A CB 1.189 20.202 19.000 0.022 0.000 1.213 328 A HN 0.878 nan 8.150 nan 0.000 0.434 329 D N 1.637 122.039 120.400 0.004 0.000 2.091 329 D HA 0.001 4.645 4.640 0.006 0.000 0.199 329 D C 0.441 176.884 176.300 0.237 0.000 0.980 329 D CA 1.550 55.560 54.000 0.016 0.000 0.831 329 D CB 0.284 41.008 40.800 -0.126 0.000 0.987 329 D HN 0.597 nan 8.370 nan 0.000 0.460 330 I N 0.726 121.438 120.570 0.235 0.000 2.412 330 I HA 0.156 4.329 4.170 0.006 0.000 0.296 330 I C -0.232 175.971 176.117 0.142 0.000 0.987 330 I CA -0.676 60.775 61.300 0.252 0.000 1.180 330 I CB 1.966 40.108 38.000 0.237 0.000 1.340 330 I HN -0.242 nan 8.210 nan 0.000 0.455 331 Q N 4.614 124.497 119.800 0.138 0.000 2.394 331 Q HA 0.388 4.731 4.340 0.006 0.000 0.259 331 Q C -1.060 174.988 176.000 0.081 0.000 1.021 331 Q CA -0.242 55.612 55.803 0.083 0.000 0.805 331 Q CB 1.477 30.254 28.738 0.065 0.000 1.226 331 Q HN 0.670 nan 8.270 nan 0.000 0.476 332 S N 1.803 117.528 115.700 0.042 0.000 2.652 332 S HA 0.724 5.198 4.470 0.006 0.000 0.270 332 S C -0.372 174.203 174.600 -0.041 0.000 1.243 332 S CA -0.234 57.968 58.200 0.004 0.000 0.999 332 S CB 0.995 64.170 63.200 -0.042 0.000 0.973 332 S HN 0.761 nan 8.310 nan 0.000 0.544 333 T N -0.718 113.797 114.554 -0.064 0.000 2.909 333 T HA 0.678 5.032 4.350 0.006 0.000 0.299 333 T C -0.912 173.705 174.700 -0.137 0.000 1.073 333 T CA -0.806 61.225 62.100 -0.116 0.000 0.999 333 T CB 0.642 69.472 68.868 -0.064 0.000 1.098 333 T HN 0.242 nan 8.240 nan 0.000 0.477 334 I N 2.977 123.393 120.570 -0.257 0.000 2.525 334 I HA 0.403 4.576 4.170 0.006 0.000 0.301 334 I C 1.216 177.292 176.117 -0.068 0.000 0.992 334 I CA -0.633 60.569 61.300 -0.162 0.000 1.162 334 I CB 1.636 39.546 38.000 -0.149 0.000 1.332 334 I HN 1.041 nan 8.210 nan 0.000 0.458 335 T N 2.354 116.914 114.554 0.010 0.000 2.907 335 T HA 0.264 4.618 4.350 0.006 0.000 0.298 335 T C -1.986 172.742 174.700 0.046 0.000 1.017 335 T CA -1.349 60.779 62.100 0.046 0.000 1.118 335 T CB 0.919 69.808 68.868 0.035 0.000 0.948 335 T HN 0.350 nan 8.240 nan 0.000 0.531 336 P HA -0.023 nan 4.420 nan 0.000 0.225 336 P C 0.935 178.064 177.300 -0.286 0.000 1.148 336 P CA 0.761 63.817 63.100 -0.073 0.000 0.779 336 P CB 0.036 31.695 31.700 -0.068 0.000 0.780 337 D N -1.622 118.504 120.400 -0.457 0.000 2.369 337 D HA -0.053 4.591 4.640 0.006 0.000 0.211 337 D C 1.503 177.583 176.300 -0.367 0.000 1.077 337 D CA 0.111 53.733 54.000 -0.629 0.000 0.842 337 D CB -0.711 39.408 40.800 -1.135 0.000 0.947 337 D HN 0.027 nan 8.370 nan 0.000 0.509 338 E N 0.996 121.068 120.200 -0.213 0.000 2.169 338 E HA -0.167 4.187 4.350 0.006 0.000 0.202 338 E C 1.819 178.346 176.600 -0.122 0.000 1.016 338 E CA 1.637 57.962 56.400 -0.126 0.000 0.817 338 E CB -0.329 29.340 29.700 -0.052 0.000 0.736 338 E HN 0.528 nan 8.360 nan 0.000 0.462 339 G N -0.377 108.344 108.800 -0.130 0.000 2.813 339 G HA2 -0.131 3.832 3.960 0.006 0.000 0.209 339 G HA3 -0.131 3.832 3.960 0.006 0.000 0.209 339 G C 1.587 176.414 174.900 -0.122 0.000 1.150 339 G CA 0.039 45.077 45.100 -0.105 0.000 0.785 339 G HN 0.090 nan 8.290 nan 0.000 0.535 340 R N -0.296 120.097 120.500 -0.178 0.000 2.125 340 R HA 0.177 4.520 4.340 0.006 0.000 0.195 340 R C 0.607 176.804 176.300 -0.173 0.000 1.138 340 R CA 0.610 56.594 56.100 -0.193 0.000 1.123 340 R CB 0.249 30.372 30.300 -0.295 0.000 1.049 340 R HN 0.477 nan 8.270 nan 0.000 0.503 341 N N -1.130 117.437 118.700 -0.222 0.000 3.204 341 N HA 0.152 4.896 4.740 0.006 0.000 0.285 341 N C -0.856 174.582 175.510 -0.120 0.000 1.536 341 N CA -0.677 52.284 53.050 -0.147 0.000 0.832 341 N CB 1.626 40.026 38.487 -0.144 0.000 1.645 341 N HN -0.240 nan 8.380 nan 0.000 0.586 342 V N 0.591 120.487 119.914 -0.029 0.000 2.811 342 V HA 0.229 4.353 4.120 0.006 0.000 0.302 342 V C -2.114 173.996 176.094 0.027 0.000 1.063 342 V CA -0.972 61.323 62.300 -0.008 0.000 1.088 342 V CB 0.208 32.026 31.823 -0.008 0.000 0.982 342 V HN 0.599 nan 8.190 nan 0.000 0.485 343 P HA 0.031 nan 4.420 nan 0.000 0.266 343 P C -0.724 176.697 177.300 0.202 0.000 1.215 343 P CA -0.028 63.103 63.100 0.051 0.000 0.763 343 P CB 0.170 31.897 31.700 0.045 0.000 0.806 344 W N 3.111 124.414 121.300 0.005 0.000 2.215 344 W HA 0.147 4.810 4.660 0.005 0.000 0.342 344 W C 2.004 178.454 176.519 -0.114 0.000 1.237 344 W CA -0.381 56.897 57.345 -0.113 0.000 1.283 344 W CB -0.853 28.613 29.460 0.010 0.000 1.131 344 W HN 0.555 nan 8.180 nan 0.000 0.606 345 H N 1.706 120.892 119.070 0.193 0.000 2.265 345 H HA -0.228 4.331 4.556 0.006 0.000 0.293 345 H C 1.973 177.305 175.328 0.008 0.000 1.089 345 H CA 2.664 58.753 56.048 0.069 0.000 1.244 345 H CB -0.922 28.842 29.762 0.004 0.000 1.355 345 H HN 0.513 nan 8.280 nan 0.000 0.485 346 I N -1.431 119.175 120.570 0.061 0.000 2.530 346 I HA -0.243 3.930 4.170 0.006 0.000 0.257 346 I C 1.715 177.661 176.117 -0.286 0.000 1.179 346 I CA 1.585 62.774 61.300 -0.185 0.000 1.440 346 I CB -0.529 37.269 38.000 -0.337 0.000 1.087 346 I HN -0.036 nan 8.210 nan 0.000 0.440 347 Y N 1.289 121.630 120.300 0.068 0.000 2.436 347 Y HA 0.103 4.656 4.550 0.006 0.000 0.288 347 Y C 2.237 178.144 175.900 0.012 0.000 1.112 347 Y CA 0.685 58.791 58.100 0.010 0.000 1.220 347 Y CB -0.753 37.674 38.460 -0.054 0.000 1.073 347 Y HN 0.161 nan 8.280 nan 0.000 0.552 348 N N 0.086 118.880 118.700 0.157 0.000 2.205 348 N HA -0.164 4.579 4.740 0.006 0.000 0.186 348 N C 1.411 176.952 175.510 0.051 0.000 1.015 348 N CA 1.290 54.400 53.050 0.099 0.000 0.862 348 N CB -0.250 38.298 38.487 0.102 0.000 0.986 348 N HN 0.114 nan 8.380 nan 0.000 0.429 349 I N 1.406 121.967 120.570 -0.016 0.000 2.233 349 I HA -0.161 4.013 4.170 0.006 0.000 0.243 349 I C 2.002 178.092 176.117 -0.045 0.000 1.093 349 I CA 1.039 62.253 61.300 -0.143 0.000 1.380 349 I CB -0.651 37.110 38.000 -0.398 0.000 1.067 349 I HN 0.184 nan 8.210 nan 0.000 0.413 350 E N 0.578 120.787 120.200 0.015 0.000 2.065 350 E HA -0.311 4.042 4.350 0.006 0.000 0.201 350 E C 2.297 178.963 176.600 0.110 0.000 1.016 350 E CA 1.710 58.165 56.400 0.091 0.000 0.818 350 E CB -0.412 29.399 29.700 0.185 0.000 0.749 350 E HN 0.506 nan 8.360 nan 0.000 0.453 351 A N 1.093 123.980 122.820 0.112 0.000 1.917 351 A HA -0.252 4.072 4.320 0.006 0.000 0.219 351 A C 2.540 180.170 177.584 0.076 0.000 1.182 351 A CA 1.722 53.809 52.037 0.085 0.000 0.633 351 A CB -1.028 18.003 19.000 0.052 0.000 0.819 351 A HN 0.391 nan 8.150 nan 0.000 0.448 352 C N -0.694 118.657 119.300 0.085 0.000 2.440 352 C HA -0.061 4.402 4.460 0.006 0.000 0.278 352 C C 2.364 177.433 174.990 0.132 0.000 1.295 352 C CA 1.015 60.099 59.018 0.110 0.000 1.738 352 C CB -1.152 26.675 27.740 0.144 0.000 1.987 352 C HN 0.616 nan 8.230 nan 0.000 0.492 353 D N 0.237 120.726 120.400 0.147 0.000 2.123 353 D HA -0.077 4.566 4.640 0.006 0.000 0.200 353 D C 2.239 178.608 176.300 0.116 0.000 0.976 353 D CA 1.383 55.478 54.000 0.159 0.000 0.831 353 D CB -0.791 40.115 40.800 0.177 0.000 0.974 353 D HN 0.356 nan 8.370 nan 0.000 0.469 354 T N 0.680 115.299 114.554 0.108 0.000 2.684 354 T HA -0.151 4.203 4.350 0.006 0.000 0.267 354 T C 1.959 176.710 174.700 0.084 0.000 1.036 354 T CA 1.691 63.850 62.100 0.099 0.000 1.148 354 T CB -0.262 68.676 68.868 0.116 0.000 0.863 354 T HN 0.200 nan 8.240 nan 0.000 0.436 355 A N 1.976 124.842 122.820 0.076 0.000 1.898 355 A HA -0.093 4.230 4.320 0.006 0.000 0.216 355 A C 2.172 179.791 177.584 0.058 0.000 1.181 355 A CA 1.858 53.931 52.037 0.061 0.000 0.620 355 A CB -0.433 18.596 19.000 0.050 0.000 0.819 355 A HN 0.672 nan 8.150 nan 0.000 0.442 356 K N -0.399 120.039 120.400 0.063 0.000 2.296 356 K HA -0.070 4.253 4.320 0.006 0.000 0.200 356 K C 1.982 178.610 176.600 0.046 0.000 1.048 356 K CA 1.259 57.575 56.287 0.049 0.000 0.966 356 K CB -0.223 32.304 32.500 0.045 0.000 0.754 356 K HN 0.556 nan 8.250 nan 0.000 0.466 357 Q N 0.764 120.600 119.800 0.060 0.000 2.020 357 Q HA -0.100 4.244 4.340 0.006 0.000 0.198 357 Q C 2.133 178.161 176.000 0.046 0.000 0.974 357 Q CA 1.428 57.266 55.803 0.058 0.000 0.829 357 Q CB -0.186 28.596 28.738 0.074 0.000 0.894 357 Q HN 0.456 nan 8.270 nan 0.000 0.433 358 A N 1.107 123.957 122.820 0.050 0.000 1.845 358 A HA -0.183 4.140 4.320 0.006 0.000 0.215 358 A C 2.109 179.714 177.584 0.035 0.000 1.195 358 A CA 1.345 53.408 52.037 0.043 0.000 0.616 358 A CB -1.035 17.996 19.000 0.052 0.000 0.832 358 A HN 0.464 nan 8.150 nan 0.000 0.443 359 L N -0.383 120.863 121.223 0.038 0.000 2.043 359 L HA -0.231 4.112 4.340 0.006 0.000 0.212 359 L C 2.506 179.395 176.870 0.033 0.000 1.075 359 L CA 1.151 56.011 54.840 0.034 0.000 0.752 359 L CB -0.513 41.567 42.059 0.034 0.000 0.891 359 L HN 0.373 nan 8.230 nan 0.000 0.432 360 I N -0.141 120.448 120.570 0.032 0.000 2.315 360 I HA -0.157 4.017 4.170 0.006 0.000 0.248 360 I C 2.639 178.783 176.117 0.044 0.000 1.117 360 I CA 1.600 62.926 61.300 0.043 0.000 1.404 360 I CB -1.723 36.291 38.000 0.023 0.000 1.071 360 I HN 0.246 nan 8.210 nan 0.000 0.419 361 G N 0.448 109.257 108.800 0.015 0.000 2.432 361 G HA2 -0.223 3.741 3.960 0.006 0.000 0.219 361 G HA3 -0.223 3.741 3.960 0.006 0.000 0.219 361 G C 1.570 176.461 174.900 -0.016 0.000 1.135 361 G CA 0.252 45.342 45.100 -0.017 0.000 0.767 361 G HN 0.316 nan 8.290 nan 0.000 0.550 362 M N 1.104 120.708 119.600 0.006 0.000 2.563 362 M HA 0.121 4.605 4.480 0.006 0.000 0.231 362 M C 0.415 176.722 176.300 0.012 0.000 1.136 362 M CA -0.071 55.232 55.300 0.006 0.000 1.026 362 M CB 0.167 32.775 32.600 0.014 0.000 1.597 362 M HN 0.093 nan 8.290 nan 0.000 0.495 363 D N 1.237 121.653 120.400 0.027 0.000 2.531 363 D HA -0.039 4.604 4.640 0.006 0.000 0.239 363 D C 1.107 177.415 176.300 0.013 0.000 1.144 363 D CA 1.677 55.708 54.000 0.051 0.000 0.869 363 D CB 0.692 41.572 40.800 0.134 0.000 1.160 363 D HN 0.606 nan 8.370 nan 0.000 0.484 364 G N 3.447 112.258 108.800 0.017 0.000 2.179 364 G HA2 -0.331 3.632 3.960 0.006 0.000 0.260 364 G HA3 -0.331 3.632 3.960 0.006 0.000 0.260 364 G C 1.018 175.915 174.900 -0.005 0.000 0.977 364 G CA 0.412 45.513 45.100 0.002 0.000 0.641 364 G HN 0.554 nan 8.290 nan 0.000 0.533 365 L N 0.354 121.575 121.223 -0.003 0.000 2.043 365 L HA 0.073 4.416 4.340 0.006 0.000 0.212 365 L C 2.553 179.421 176.870 -0.004 0.000 1.075 365 L CA 2.776 57.612 54.840 -0.006 0.000 0.752 365 L CB -0.359 41.700 42.059 -0.001 0.000 0.891 365 L HN 0.344 nan 8.230 nan 0.000 0.432 366 M N -0.840 118.760 119.600 -0.001 0.000 2.722 366 M HA -0.033 4.451 4.480 0.006 0.000 0.238 366 M C 0.958 177.256 176.300 -0.003 0.000 1.098 366 M CA 0.537 55.837 55.300 -0.002 0.000 1.062 366 M CB -1.242 31.357 32.600 -0.001 0.000 1.573 366 M HN 0.202 nan 8.290 nan 0.000 0.531 367 D N -0.448 119.949 120.400 -0.005 0.000 2.348 367 D HA 0.110 4.753 4.640 0.006 0.000 0.211 367 D C 1.569 177.866 176.300 -0.006 0.000 0.998 367 D CA 0.701 54.698 54.000 -0.006 0.000 0.873 367 D CB 0.299 41.095 40.800 -0.007 0.000 0.925 367 D HN 0.360 nan 8.370 nan 0.000 0.524 368 M N -0.383 119.213 119.600 -0.007 0.000 2.300 368 M HA 0.172 4.656 4.480 0.006 0.000 0.313 368 M C -0.557 175.741 176.300 -0.004 0.000 0.988 368 M CA 0.131 55.427 55.300 -0.007 0.000 1.012 368 M CB 2.426 35.020 32.600 -0.011 0.000 1.586 368 M HN -0.334 nan 8.290 nan 0.000 0.562 369 V N 1.340 121.252 119.914 -0.002 0.000 2.808 369 V HA 0.402 4.525 4.120 0.006 0.000 0.308 369 V C -0.984 175.110 176.094 0.001 0.000 1.099 369 V CA -0.788 61.512 62.300 0.001 0.000 0.920 369 V CB 2.196 34.020 31.823 0.002 0.000 1.014 369 V HN 0.361 nan 8.190 nan 0.000 0.425 370 Q N 4.011 123.813 119.800 0.003 0.000 2.528 370 Q HA 0.825 5.168 4.340 0.006 0.000 0.289 370 Q C -1.522 174.481 176.000 0.004 0.000 1.091 370 Q CA -1.079 54.725 55.803 0.003 0.000 0.797 370 Q CB 2.632 31.371 28.738 0.002 0.000 1.466 370 Q HN 0.560 nan 8.270 nan 0.000 0.436 371 L N 1.143 122.367 121.223 0.003 0.000 2.326 371 L HA 0.366 4.709 4.340 0.006 0.000 0.278 371 L C 0.137 177.010 176.870 0.004 0.000 1.092 371 L CA -0.627 54.215 54.840 0.003 0.000 0.810 371 L CB 0.663 42.721 42.059 -0.001 0.000 1.153 371 L HN 0.584 nan 8.230 nan 0.000 0.439 372 K N 2.530 122.933 120.400 0.006 0.000 2.278 372 K HA 0.016 4.339 4.320 0.006 0.000 0.237 372 K C 0.914 177.516 176.600 0.004 0.000 1.229 372 K CA -0.192 56.100 56.287 0.008 0.000 1.155 372 K CB 0.226 32.734 32.500 0.014 0.000 1.590 372 K HN 0.334 nan 8.250 nan 0.000 0.290 373 R N 1.589 122.091 120.500 0.004 0.000 2.092 373 R HA -0.109 4.234 4.340 0.006 0.000 0.231 373 R C 0.547 176.850 176.300 0.005 0.000 1.119 373 R CA 1.623 57.724 56.100 0.003 0.000 0.970 373 R CB -0.153 30.149 30.300 0.003 0.000 0.864 373 R HN 0.446 nan 8.270 nan 0.000 0.440 374 E N -0.159 120.046 120.200 0.007 0.000 1.963 374 E HA 0.525 4.879 4.350 0.006 0.000 0.274 374 E C 0.186 176.793 176.600 0.011 0.000 1.061 374 E CA 0.005 56.411 56.400 0.010 0.000 0.847 374 E CB 0.107 29.812 29.700 0.010 0.000 1.083 374 E HN 0.600 nan 8.360 nan 0.000 0.402 375 G N -0.573 108.234 108.800 0.012 0.000 2.336 375 G HA2 0.235 4.198 3.960 0.006 0.000 0.286 375 G HA3 0.235 4.198 3.960 0.006 0.000 0.286 375 G C 0.740 175.648 174.900 0.013 0.000 1.269 375 G CA 0.146 45.255 45.100 0.015 0.000 0.873 375 G HN 0.920 nan 8.290 nan 0.000 0.494 376 V N 0.177 120.100 119.914 0.015 0.000 2.407 376 V HA -0.065 4.059 4.120 0.006 0.000 0.248 376 V C 2.859 178.932 176.094 -0.035 0.000 1.055 376 V CA 2.915 65.218 62.300 0.005 0.000 1.049 376 V CB -0.432 31.408 31.823 0.028 0.000 0.662 376 V HN 0.813 nan 8.190 nan 0.000 0.455 377 L N 1.284 122.472 121.223 -0.057 0.000 2.043 377 L HA -0.056 4.288 4.340 0.006 0.000 0.212 377 L C 2.315 179.171 176.870 -0.024 0.000 1.075 377 L CA 2.731 57.530 54.840 -0.069 0.000 0.752 377 L CB -1.341 40.684 42.059 -0.057 0.000 0.891 377 L HN 0.315 nan 8.230 nan 0.000 0.432 378 G N -1.390 107.406 108.800 -0.006 0.000 2.408 378 G HA2 -0.240 3.723 3.960 0.006 0.000 0.217 378 G HA3 -0.240 3.723 3.960 0.006 0.000 0.217 378 G C 1.238 176.149 174.900 0.019 0.000 1.150 378 G CA 0.791 45.897 45.100 0.009 0.000 0.776 378 G HN 0.441 nan 8.290 nan 0.000 0.542 379 D N 0.172 120.582 120.400 0.018 0.000 2.144 379 D HA -0.040 4.603 4.640 0.006 0.000 0.200 379 D C 2.651 178.977 176.300 0.042 0.000 0.978 379 D CA 1.218 55.236 54.000 0.030 0.000 0.833 379 D CB -0.382 40.436 40.800 0.031 0.000 0.961 379 D HN 0.206 nan 8.370 nan 0.000 0.470 380 T N 0.283 114.857 114.554 0.034 0.000 2.896 380 T HA -0.036 4.317 4.350 0.006 0.000 0.263 380 T C 2.236 176.986 174.700 0.082 0.000 1.050 380 T CA 0.313 62.449 62.100 0.059 0.000 1.140 380 T CB -0.112 68.771 68.868 0.026 0.000 0.877 380 T HN -0.054 nan 8.240 nan 0.000 0.457 381 V N 1.806 121.757 119.914 0.061 0.000 2.287 381 V HA -0.194 3.930 4.120 0.006 0.000 0.248 381 V C 2.661 178.806 176.094 0.085 0.000 1.053 381 V CA 1.843 64.189 62.300 0.076 0.000 1.027 381 V CB -0.520 31.332 31.823 0.049 0.000 0.646 381 V HN 0.285 nan 8.190 nan 0.000 0.447 382 R N 0.453 120.993 120.500 0.067 0.000 2.091 382 R HA -0.202 4.142 4.340 0.006 0.000 0.238 382 R C 2.237 178.586 176.300 0.081 0.000 1.136 382 R CA 2.218 58.358 56.100 0.065 0.000 0.959 382 R CB -0.540 29.790 30.300 0.049 0.000 0.856 382 R HN 0.679 nan 8.270 nan 0.000 0.437 383 E N 0.049 120.303 120.200 0.091 0.000 2.017 383 E HA -0.200 4.153 4.350 0.006 0.000 0.193 383 E C 1.959 178.643 176.600 0.140 0.000 0.997 383 E CA 1.690 58.153 56.400 0.105 0.000 0.804 383 E CB -0.201 29.567 29.700 0.114 0.000 0.757 383 E HN 0.387 nan 8.360 nan 0.000 0.448 384 L N 0.755 122.089 121.223 0.185 0.000 1.997 384 L HA -0.277 4.067 4.340 0.006 0.000 0.216 384 L C 2.744 179.738 176.870 0.207 0.000 1.074 384 L CA 1.828 56.811 54.840 0.238 0.000 0.763 384 L CB -0.526 41.704 42.059 0.284 0.000 0.890 384 L HN 0.118 nan 8.230 nan 0.000 0.434 385 K N -0.096 120.406 120.400 0.170 0.000 2.074 385 K HA -0.239 4.085 4.320 0.006 0.000 0.209 385 K C 2.035 178.708 176.600 0.120 0.000 1.048 385 K CA 1.902 58.272 56.287 0.139 0.000 0.926 385 K CB -0.191 32.371 32.500 0.103 0.000 0.713 385 K HN 0.412 nan 8.250 nan 0.000 0.444 386 E N 0.223 120.489 120.200 0.109 0.000 2.047 386 E HA -0.161 4.193 4.350 0.006 0.000 0.191 386 E C 2.102 178.777 176.600 0.125 0.000 0.987 386 E CA 0.966 57.424 56.400 0.096 0.000 0.799 386 E CB -0.014 29.730 29.700 0.073 0.000 0.752 386 E HN 0.233 nan 8.360 nan 0.000 0.449 387 R N 0.487 121.075 120.500 0.146 0.000 2.152 387 R HA -0.098 4.245 4.340 0.006 0.000 0.232 387 R C 2.283 178.738 176.300 0.258 0.000 1.117 387 R CA 0.984 57.212 56.100 0.213 0.000 0.981 387 R CB -0.231 30.178 30.300 0.182 0.000 0.870 387 R HN 0.109 nan 8.270 nan 0.000 0.451 388 A N 0.628 123.563 122.820 0.192 0.000 1.855 388 A HA -0.092 4.232 4.320 0.006 0.000 0.215 388 A C 2.330 179.985 177.584 0.118 0.000 1.191 388 A CA 1.195 53.316 52.037 0.140 0.000 0.613 388 A CB -0.587 18.500 19.000 0.145 0.000 0.829 388 A HN 0.097 nan 8.150 nan 0.000 0.442 389 V N 0.407 120.390 119.914 0.114 0.000 2.332 389 V HA -0.285 3.838 4.120 0.006 0.000 0.248 389 V C 2.597 178.765 176.094 0.123 0.000 1.055 389 V CA 2.022 64.379 62.300 0.096 0.000 1.038 389 V CB -0.823 31.046 31.823 0.077 0.000 0.651 389 V HN 0.550 nan 8.190 nan 0.000 0.450 390 L N -1.373 119.948 121.223 0.164 0.000 1.994 390 L HA -0.216 4.128 4.340 0.006 0.000 0.208 390 L C 2.366 179.379 176.870 0.239 0.000 1.071 390 L CA 2.093 57.062 54.840 0.215 0.000 0.745 390 L CB -0.696 41.528 42.059 0.275 0.000 0.892 390 L HN 0.294 nan 8.230 nan 0.000 0.431 391 F N 0.175 120.045 119.950 -0.132 0.000 2.087 391 F HA -0.376 4.154 4.527 0.006 0.000 0.299 391 F C 2.641 178.321 175.800 -0.200 0.000 1.100 391 F CA 1.704 59.285 58.000 -0.698 0.000 1.226 391 F CB -0.006 38.440 39.000 -0.923 0.000 0.983 391 F HN 0.004 nan 8.300 nan 0.000 0.479 392 M N -0.502 119.230 119.600 0.220 0.000 2.254 392 M HA -0.191 4.292 4.480 0.006 0.000 0.265 392 M C 1.929 178.326 176.300 0.162 0.000 1.066 392 M CA 1.465 56.876 55.300 0.184 0.000 1.123 392 M CB -0.366 32.297 32.600 0.105 0.000 1.388 392 M HN 0.157 nan 8.290 nan 0.000 0.425 393 E N 0.159 120.443 120.200 0.140 0.000 2.118 393 E HA -0.238 4.116 4.350 0.006 0.000 0.195 393 E C 1.780 178.462 176.600 0.137 0.000 0.992 393 E CA 1.095 57.565 56.400 0.117 0.000 0.804 393 E CB 0.004 29.762 29.700 0.098 0.000 0.741 393 E HN 0.465 nan 8.360 nan 0.000 0.458 394 E N 0.262 120.569 120.200 0.178 0.000 2.285 394 E HA -0.110 4.244 4.350 0.006 0.000 0.194 394 E C 1.885 178.688 176.600 0.338 0.000 0.997 394 E CA 0.225 56.756 56.400 0.218 0.000 0.845 394 E CB 0.169 29.968 29.700 0.164 0.000 0.782 394 E HN 0.268 nan 8.360 nan 0.000 0.491 395 I N 0.734 121.490 120.570 0.311 0.000 2.202 395 I HA -0.267 3.907 4.170 0.006 0.000 0.242 395 I C 2.316 178.493 176.117 0.100 0.000 1.091 395 I CA 0.925 62.355 61.300 0.217 0.000 1.368 395 I CB -0.205 37.942 38.000 0.245 0.000 1.058 395 I HN 0.169 nan 8.210 nan 0.000 0.410 396 I N 0.612 121.243 120.570 0.102 0.000 2.286 396 I HA -0.296 3.877 4.170 0.006 0.000 0.248 396 I C 2.609 178.757 176.117 0.051 0.000 1.115 396 I CA 1.457 62.792 61.300 0.059 0.000 1.392 396 I CB -0.377 37.657 38.000 0.057 0.000 1.065 396 I HN 0.332 nan 8.210 nan 0.000 0.418 397 E N 1.311 121.558 120.200 0.078 0.000 2.208 397 E HA -0.160 4.194 4.350 0.006 0.000 0.193 397 E C 2.074 178.711 176.600 0.062 0.000 0.988 397 E CA 0.956 57.397 56.400 0.068 0.000 0.828 397 E CB 0.102 29.850 29.700 0.080 0.000 0.763 397 E HN 0.477 nan 8.360 nan 0.000 0.478 398 A N 0.116 122.976 122.820 0.068 0.000 2.208 398 A HA 0.217 4.541 4.320 0.006 0.000 0.209 398 A C 1.521 179.087 177.584 -0.029 0.000 1.161 398 A CA 0.915 52.959 52.037 0.012 0.000 0.782 398 A CB -0.162 18.796 19.000 -0.070 0.000 0.816 398 A HN 0.412 nan 8.150 nan 0.000 0.477 399 G N -2.535 106.256 108.800 -0.014 0.000 2.141 399 G HA2 0.393 4.356 3.960 0.006 0.000 0.195 399 G HA3 0.393 4.356 3.960 0.006 0.000 0.195 399 G C 0.942 175.820 174.900 -0.037 0.000 1.012 399 G CA 0.212 45.301 45.100 -0.018 0.000 0.696 399 G HN 2.391 nan 8.290 nan 0.000 0.508 400 G N -2.259 106.513 108.800 -0.046 0.000 2.440 400 G HA2 0.293 4.256 3.960 0.006 0.000 0.684 400 G HA3 0.293 4.256 3.960 0.006 0.000 0.684 400 G C 0.142 174.990 174.900 -0.086 0.000 1.309 400 G CA 0.300 45.358 45.100 -0.070 0.000 0.931 400 G HN 1.418 nan 8.290 nan 0.000 0.612 401 Y N 0.513 120.658 120.300 -0.258 0.000 2.081 401 Y HA -0.074 4.479 4.550 0.006 0.000 0.280 401 Y C 2.752 178.566 175.900 -0.144 0.000 1.163 401 Y CA 3.188 61.139 58.100 -0.247 0.000 1.135 401 Y CB -0.393 37.782 38.460 -0.475 0.000 0.970 401 Y HN 0.496 nan 8.280 nan 0.000 0.498 402 F N 0.799 120.599 119.950 -0.249 0.000 2.043 402 F HA -0.309 4.222 4.527 0.006 0.000 0.297 402 F C 2.343 177.956 175.800 -0.312 0.000 1.121 402 F CA 1.730 59.547 58.000 -0.306 0.000 1.199 402 F CB -1.555 37.340 39.000 -0.176 0.000 0.968 402 F HN 0.158 nan 8.300 nan 0.000 0.478 403 N N 0.287 118.962 118.700 -0.041 0.000 2.104 403 N HA -0.164 4.580 4.740 0.006 0.000 0.190 403 N C 2.038 177.347 175.510 -0.334 0.000 1.024 403 N CA 1.479 54.441 53.050 -0.146 0.000 0.853 403 N CB -0.839 37.576 38.487 -0.120 0.000 1.008 403 N HN 0.271 nan 8.380 nan 0.000 0.424 404 A N 0.744 123.295 122.820 -0.449 0.000 1.892 404 A HA -0.131 4.193 4.320 0.006 0.000 0.218 404 A C 2.469 179.747 177.584 -0.510 0.000 1.188 404 A CA 1.757 53.298 52.037 -0.827 0.000 0.631 404 A CB -0.793 17.930 19.000 -0.462 0.000 0.822 404 A HN 0.142 nan 8.150 nan 0.000 0.447 405 V N -0.479 119.253 119.914 -0.304 0.000 2.548 405 V HA -0.176 3.947 4.120 0.006 0.000 0.249 405 V C 2.330 178.353 176.094 -0.119 0.000 1.055 405 V CA 1.969 64.175 62.300 -0.157 0.000 1.065 405 V CB -0.679 30.923 31.823 -0.368 0.000 0.681 405 V HN 0.691 nan 8.190 nan 0.000 0.462 406 E N -0.057 120.049 120.200 -0.156 0.000 2.208 406 E HA -0.173 4.180 4.350 0.006 0.000 0.193 406 E C 2.042 178.598 176.600 -0.074 0.000 0.988 406 E CA 0.613 56.949 56.400 -0.107 0.000 0.828 406 E CB 0.070 29.706 29.700 -0.107 0.000 0.763 406 E HN 0.654 nan 8.360 nan 0.000 0.478 407 Q N -0.898 118.834 119.800 -0.114 0.000 2.403 407 Q HA 0.101 4.444 4.340 0.006 0.000 0.203 407 Q C 0.556 176.642 176.000 0.143 0.000 0.932 407 Q CA 0.361 56.159 55.803 -0.009 0.000 0.945 407 Q CB 0.901 29.616 28.738 -0.038 0.000 1.045 407 Q HN 0.359 nan 8.270 nan 0.000 0.511 408 G N 0.686 109.552 108.800 0.111 0.000 2.246 408 G HA2 -0.253 3.710 3.960 0.006 0.000 0.273 408 G HA3 -0.253 3.710 3.960 0.006 0.000 0.273 408 G C 0.188 175.268 174.900 0.300 0.000 1.055 408 G CA -0.034 45.170 45.100 0.173 0.000 0.851 408 G HN 0.324 nan 8.290 nan 0.000 0.500 409 F N -0.557 119.380 119.950 -0.021 0.000 2.293 409 F HA 0.292 4.823 4.527 0.006 0.000 0.300 409 F C 1.661 177.348 175.800 -0.188 0.000 1.086 409 F CA -0.166 57.730 58.000 -0.172 0.000 1.375 409 F CB -0.414 38.407 39.000 -0.297 0.000 1.045 409 F HN 0.251 nan 8.300 nan 0.000 0.516 410 F N -1.034 119.086 119.950 0.283 0.000 2.385 410 F HA 0.405 4.935 4.527 0.006 0.000 0.336 410 F C 0.996 176.862 175.800 0.110 0.000 1.100 410 F CA -0.788 57.328 58.000 0.193 0.000 1.116 410 F CB 0.842 39.890 39.000 0.080 0.000 1.166 410 F HN -0.377 nan 8.300 nan 0.000 0.511 411 V N 0.911 120.990 119.914 0.275 0.000 5.297 411 V HA -0.268 3.856 4.120 0.006 0.000 0.298 411 V C -0.349 175.813 176.094 0.114 0.000 0.408 411 V CA 0.764 63.170 62.300 0.178 0.000 0.733 411 V CB -2.120 29.789 31.823 0.143 0.000 0.584 411 V HN 0.952 nan 8.190 nan 0.000 1.394 412 D N 0.811 121.273 120.400 0.104 0.000 2.264 412 D HA 0.369 5.012 4.640 0.006 0.000 0.250 412 D C 1.397 177.715 176.300 0.029 0.000 1.113 412 D CA 0.487 54.517 54.000 0.050 0.000 0.871 412 D CB 1.932 42.745 40.800 0.022 0.000 1.167 412 D HN 0.532 nan 8.370 nan 0.000 0.447 413 S N 1.990 117.690 115.700 -0.001 0.000 2.500 413 S HA 0.001 4.475 4.470 0.006 0.000 0.239 413 S C 1.136 175.706 174.600 -0.049 0.000 0.989 413 S CA -0.004 58.173 58.200 -0.037 0.000 0.951 413 S CB -0.089 63.084 63.200 -0.045 0.000 0.759 413 S HN 0.457 nan 8.310 nan 0.000 0.523 414 G N 0.267 109.058 108.800 -0.015 0.000 2.507 414 G HA2 0.386 4.350 3.960 0.006 0.000 0.271 414 G HA3 0.386 4.350 3.960 0.006 0.000 0.271 414 G C -0.969 173.983 174.900 0.087 0.000 1.189 414 G CA -0.706 44.395 45.100 0.002 0.000 0.859 414 G HN 0.324 nan 8.290 nan 0.000 0.542 415 Y N 2.437 122.701 120.300 -0.060 0.000 2.691 415 Y HA 0.308 4.862 4.550 0.006 0.000 0.338 415 Y C 0.066 175.972 175.900 0.011 0.000 1.148 415 Y CA -2.400 55.693 58.100 -0.011 0.000 1.430 415 Y CB -0.827 37.624 38.460 -0.016 0.000 1.303 415 Y HN 0.477 nan 8.280 nan 0.000 0.499 416 Y N 8.330 128.633 120.300 0.005 0.000 3.032 416 Y HA -0.037 4.517 4.550 0.006 0.000 0.344 416 Y C -1.556 174.167 175.900 -0.296 0.000 1.273 416 Y CA -0.556 57.441 58.100 -0.172 0.000 1.588 416 Y CB 0.737 39.148 38.460 -0.081 0.000 1.209 416 Y HN 0.509 nan 8.280 nan 0.000 0.597 417 P HA -0.041 nan 4.420 nan 0.000 0.245 417 P C -0.640 176.223 177.300 -0.728 0.000 1.212 417 P CA 0.516 62.791 63.100 -1.374 0.000 0.774 417 P CB 0.176 31.274 31.700 -1.003 0.000 0.999 418 E N 1.255 121.202 120.200 -0.422 0.000 2.652 418 E HA -0.086 4.268 4.350 0.006 0.000 0.255 418 E C 0.344 176.795 176.600 -0.248 0.000 0.952 418 E CA 0.594 56.843 56.400 -0.252 0.000 0.947 418 E CB 0.250 29.881 29.700 -0.114 0.000 0.912 418 E HN 0.039 nan 8.360 nan 0.000 0.489 419 R N 3.670 124.032 120.500 -0.230 0.000 2.451 419 R HA 0.174 4.518 4.340 0.006 0.000 0.307 419 R C -0.145 176.083 176.300 -0.121 0.000 0.965 419 R CA -0.503 55.482 56.100 -0.192 0.000 0.865 419 R CB 0.575 30.716 30.300 -0.265 0.000 1.174 419 R HN 0.366 nan 8.270 nan 0.000 0.455 420 N N 2.548 121.200 118.700 -0.080 0.000 2.336 420 N HA 0.095 4.839 4.740 0.006 0.000 0.189 420 N C 0.711 176.197 175.510 -0.040 0.000 1.113 420 N CA 0.939 53.957 53.050 -0.053 0.000 0.858 420 N CB 0.950 39.415 38.487 -0.037 0.000 0.970 420 N HN 0.941 nan 8.380 nan 0.000 0.471 421 G N 1.762 110.538 108.800 -0.040 0.000 2.153 421 G HA2 -0.253 3.710 3.960 0.006 0.000 0.252 421 G HA3 -0.253 3.710 3.960 0.006 0.000 0.252 421 G C 0.072 174.969 174.900 -0.005 0.000 0.994 421 G CA 0.611 45.698 45.100 -0.021 0.000 0.698 421 G HN 0.535 nan 8.290 nan 0.000 0.521 422 D N -0.067 120.332 120.400 -0.002 0.000 2.538 422 D HA 0.389 5.033 4.640 0.006 0.000 0.231 422 D C 1.134 177.447 176.300 0.022 0.000 1.229 422 D CA 0.450 54.455 54.000 0.007 0.000 0.828 422 D CB -0.158 40.643 40.800 0.001 0.000 1.035 422 D HN 0.594 nan 8.370 nan 0.000 0.495 423 G N 0.442 109.263 108.800 0.035 0.000 2.621 423 G HA2 0.398 4.362 3.960 0.006 0.000 0.271 423 G HA3 0.398 4.362 3.960 0.006 0.000 0.271 423 G C -0.008 174.926 174.900 0.056 0.000 1.236 423 G CA -0.589 44.548 45.100 0.062 0.000 0.958 423 G HN 0.144 nan 8.290 nan 0.000 0.512 424 I N 1.145 121.754 120.570 0.065 0.000 2.325 424 I HA 0.373 4.546 4.170 0.006 0.000 0.291 424 I C 0.709 176.844 176.117 0.031 0.000 1.019 424 I CA -0.728 60.590 61.300 0.030 0.000 1.302 424 I CB 0.584 38.581 38.000 -0.006 0.000 1.401 424 I HN 0.426 nan 8.210 nan 0.000 0.485 425 A N 8.559 131.385 122.820 0.010 0.000 2.276 425 A HA 0.739 5.063 4.320 0.006 0.000 0.316 425 A C -0.075 177.487 177.584 -0.036 0.000 1.229 425 A CA -0.713 51.320 52.037 -0.005 0.000 0.851 425 A CB 0.702 19.701 19.000 -0.001 0.000 1.165 425 A HN 0.580 nan 8.150 nan 0.000 0.513 426 R N 1.956 122.420 120.500 -0.060 0.000 2.637 426 R HA 0.487 4.830 4.340 0.006 0.000 0.291 426 R C -1.011 175.233 176.300 -0.094 0.000 0.963 426 R CA -0.685 55.367 56.100 -0.079 0.000 0.901 426 R CB 1.486 31.727 30.300 -0.098 0.000 1.160 426 R HN 0.811 nan 8.270 nan 0.000 0.457 427 Q N 1.173 120.918 119.800 -0.092 0.000 2.235 427 Q HA 0.333 4.676 4.340 0.006 0.000 0.250 427 Q C 1.392 177.301 176.000 -0.153 0.000 0.909 427 Q CA -0.170 55.569 55.803 -0.106 0.000 0.910 427 Q CB 1.436 30.124 28.738 -0.083 0.000 1.223 427 Q HN 0.538 nan 8.270 nan 0.000 0.432 428 I N 1.275 121.731 120.570 -0.189 0.000 2.399 428 I HA -0.312 3.862 4.170 0.006 0.000 0.254 428 I C 0.840 176.795 176.117 -0.270 0.000 1.146 428 I CA 1.341 62.459 61.300 -0.303 0.000 1.412 428 I CB -0.013 37.814 38.000 -0.288 0.000 1.076 428 I HN 0.720 nan 8.210 nan 0.000 0.432 429 N N -0.692 117.903 118.700 -0.175 0.000 2.377 429 N HA 0.177 4.920 4.740 0.006 0.000 0.259 429 N C 0.213 175.661 175.510 -0.103 0.000 1.332 429 N CA -0.078 52.887 53.050 -0.142 0.000 0.877 429 N CB 0.837 39.252 38.487 -0.120 0.000 1.299 429 N HN 0.145 nan 8.380 nan 0.000 0.501 430 G N -0.485 108.257 108.800 -0.098 0.000 3.016 430 G HA2 0.724 4.687 3.960 0.006 0.000 0.270 430 G HA3 0.724 4.687 3.960 0.006 0.000 0.270 430 G C 0.019 174.882 174.900 -0.061 0.000 1.352 430 G CA -0.255 44.803 45.100 -0.070 0.000 1.060 430 G HN 0.423 nan 8.290 nan 0.000 0.538 431 G N -1.495 107.281 108.800 -0.041 0.000 2.730 431 G HA2 0.145 4.109 3.960 0.006 0.000 0.686 431 G HA3 0.145 4.109 3.960 0.006 0.000 0.686 431 G C -0.249 174.649 174.900 -0.003 0.000 1.343 431 G CA -0.485 44.602 45.100 -0.022 0.000 0.826 431 G HN 0.949 nan 8.290 nan 0.000 0.582 432 I N 1.555 122.143 120.570 0.031 0.000 2.906 432 I HA 0.307 4.480 4.170 0.006 0.000 0.301 432 I C 1.901 178.041 176.117 0.039 0.000 1.221 432 I CA 1.685 63.020 61.300 0.058 0.000 1.435 432 I CB -0.479 37.609 38.000 0.146 0.000 1.345 432 I HN 2.335 nan 8.210 nan 0.000 0.558 433 G N 4.541 113.359 108.800 0.030 0.000 2.149 433 G HA2 -0.096 3.867 3.960 0.006 0.000 0.235 433 G HA3 -0.096 3.867 3.960 0.006 0.000 0.235 433 G C 0.487 175.379 174.900 -0.012 0.000 1.018 433 G CA 0.047 45.159 45.100 0.021 0.000 0.728 433 G HN 1.145 nan 8.290 nan 0.000 0.508 434 A N -0.153 122.650 122.820 -0.028 0.000 2.477 434 A HA 0.694 5.017 4.320 0.006 0.000 0.246 434 A C 1.893 179.431 177.584 -0.078 0.000 1.078 434 A CA 1.354 53.355 52.037 -0.059 0.000 0.770 434 A CB 0.126 19.090 19.000 -0.060 0.000 1.011 434 A HN 2.381 nan 8.150 nan 0.000 0.494 435 G N 1.788 110.519 108.800 -0.116 0.000 2.272 435 G HA2 -0.140 3.824 3.960 0.006 0.000 0.280 435 G HA3 -0.140 3.824 3.960 0.006 0.000 0.280 435 G C 0.458 175.217 174.900 -0.234 0.000 1.067 435 G CA 1.090 46.093 45.100 -0.161 0.000 0.902 435 G HN 2.163 nan 8.290 nan 0.000 0.500 436 T N -3.639 110.773 114.554 -0.237 0.000 3.200 436 T HA 0.524 4.877 4.350 0.006 0.000 0.284 436 T C 0.385 174.858 174.700 -0.379 0.000 1.009 436 T CA 0.245 62.178 62.100 -0.280 0.000 0.907 436 T CB 1.008 69.860 68.868 -0.027 0.000 1.120 436 T HN 0.634 nan 8.240 nan 0.000 0.534 437 V N 2.570 122.241 119.914 -0.404 0.000 2.406 437 V HA 0.522 4.646 4.120 0.006 0.000 0.272 437 V C -0.720 175.118 176.094 -0.427 0.000 1.043 437 V CA -0.654 61.492 62.300 -0.255 0.000 0.915 437 V CB 0.022 31.776 31.823 -0.115 0.000 0.988 437 V HN 0.434 nan 8.190 nan 0.000 0.466 438 F N 2.360 122.337 119.950 0.045 0.000 2.458 438 F HA 0.428 4.958 4.527 0.006 0.000 0.336 438 F C 0.514 176.335 175.800 0.035 0.000 1.114 438 F CA -0.801 57.227 58.000 0.046 0.000 0.987 438 F CB 1.408 40.448 39.000 0.065 0.000 1.130 438 F HN 0.501 nan 8.300 nan 0.000 0.458 439 E N 3.277 123.594 120.200 0.196 0.000 2.413 439 E HA 0.116 4.470 4.350 0.006 0.000 0.263 439 E C -0.367 176.299 176.600 0.110 0.000 1.015 439 E CA -0.443 56.022 56.400 0.108 0.000 0.916 439 E CB 0.652 30.400 29.700 0.080 0.000 0.947 439 E HN 0.518 nan 8.360 nan 0.000 0.440 440 R N 3.568 124.086 120.500 0.030 0.000 2.340 440 R HA 0.146 4.489 4.340 0.006 0.000 0.300 440 R C -0.579 175.770 176.300 0.081 0.000 1.069 440 R CA -0.611 55.502 56.100 0.023 0.000 0.984 440 R CB 0.555 30.788 30.300 -0.112 0.000 1.003 440 R HN 0.511 nan 8.270 nan 0.000 0.459 441 D N 1.871 122.385 120.400 0.190 0.000 2.283 441 D HA -0.057 4.586 4.640 0.006 0.000 0.248 441 D C 1.236 177.653 176.300 0.195 0.000 1.072 441 D CA -0.211 53.877 54.000 0.147 0.000 0.929 441 D CB 0.983 41.868 40.800 0.141 0.000 1.182 441 D HN 0.529 nan 8.370 nan 0.000 0.433 442 E N 1.494 121.757 120.200 0.105 0.000 2.284 442 E HA -0.232 4.121 4.350 0.006 0.000 0.200 442 E C 0.302 177.085 176.600 0.306 0.000 1.008 442 E CA 1.239 57.722 56.400 0.139 0.000 0.829 442 E CB 0.172 29.907 29.700 0.059 0.000 0.744 442 E HN 0.566 nan 8.360 nan 0.000 0.491 443 D N -1.201 119.335 120.400 0.227 0.000 2.395 443 D HA -0.099 4.544 4.640 0.006 0.000 0.213 443 D C 0.465 176.876 176.300 0.186 0.000 1.110 443 D CA -0.671 53.428 54.000 0.165 0.000 0.835 443 D CB -1.191 39.646 40.800 0.062 0.000 0.965 443 D HN 0.129 nan 8.370 nan 0.000 0.505 444 Y N 1.813 122.220 120.300 0.178 0.000 2.987 444 Y HA 0.026 4.580 4.550 0.006 0.000 0.339 444 Y C 0.142 176.086 175.900 0.074 0.000 1.272 444 Y CA 0.559 58.746 58.100 0.145 0.000 1.562 444 Y CB 0.374 38.972 38.460 0.230 0.000 1.253 444 Y HN -0.037 nan 8.280 nan 0.000 0.604 445 M N 5.385 124.596 119.600 -0.648 0.000 2.484 445 M HA 0.699 5.183 4.480 0.006 0.000 0.289 445 M C -1.983 173.931 176.300 -0.642 0.000 1.206 445 M CA -0.668 54.379 55.300 -0.422 0.000 0.892 445 M CB 2.255 34.787 32.600 -0.113 0.000 1.712 445 M HN 0.738 nan 8.290 nan 0.000 0.462 446 A N 4.839 127.421 122.820 -0.395 0.000 2.414 446 A HA 0.789 5.113 4.320 0.006 0.000 0.286 446 A C -2.768 174.658 177.584 -0.263 0.000 1.073 446 A CA -0.965 50.835 52.037 -0.395 0.000 0.727 446 A CB 1.320 19.946 19.000 -0.625 0.000 1.215 446 A HN 0.488 nan 8.150 nan 0.000 0.430 447 P HA 0.362 nan 4.420 nan 0.000 0.205 447 P C -0.402 176.823 177.300 -0.126 0.000 1.858 447 P CA -0.032 62.976 63.100 -0.153 0.000 0.998 447 P CB -0.013 31.587 31.700 -0.165 0.000 1.875 448 V N -2.083 117.761 119.914 -0.116 0.000 3.160 448 V HA 0.707 4.830 4.120 0.006 0.000 0.310 448 V C -0.110 175.938 176.094 -0.076 0.000 1.181 448 V CA -0.910 61.331 62.300 -0.097 0.000 1.047 448 V CB 1.437 33.204 31.823 -0.093 0.000 1.068 448 V HN 0.064 nan 8.190 nan 0.000 0.441 449 T N 0.664 115.145 114.554 -0.122 0.000 2.913 449 T HA 0.651 5.004 4.350 0.006 0.000 0.287 449 T C 0.718 175.333 174.700 -0.140 0.000 1.008 449 T CA 0.410 62.430 62.100 -0.134 0.000 1.067 449 T CB 1.068 69.800 68.868 -0.226 0.000 0.996 449 T HN 2.516 nan 8.240 nan 0.000 0.513 450 A N 0.853 123.640 122.820 -0.055 0.000 2.846 450 A HA -0.177 4.147 4.320 0.006 0.000 0.287 450 A C 0.067 177.705 177.584 0.089 0.000 1.469 450 A CA 0.878 52.918 52.037 0.004 0.000 0.757 450 A CB -2.661 16.270 19.000 -0.115 0.000 1.033 450 A HN 1.052 nan 8.150 nan 0.000 0.516 451 H N -1.850 117.236 119.070 0.027 0.000 2.467 451 H HA 0.640 5.200 4.556 0.006 0.000 0.331 451 H C 0.543 175.948 175.328 0.129 0.000 1.120 451 H CA 0.049 56.146 56.048 0.081 0.000 1.270 451 H CB 0.450 30.253 29.762 0.068 0.000 1.466 451 H HN 0.465 nan 8.280 nan 0.000 0.504 452 F N 2.582 122.261 119.950 -0.453 0.000 2.274 452 F HA 0.357 4.888 4.527 0.006 0.000 0.288 452 F C 1.135 176.826 175.800 -0.182 0.000 1.069 452 F CA 0.849 58.705 58.000 -0.241 0.000 1.343 452 F CB -0.163 38.713 39.000 -0.207 0.000 1.089 452 F HN 0.595 nan 8.300 nan 0.000 0.517 453 G N -1.013 107.571 108.800 -0.360 0.000 2.525 453 G HA2 0.068 4.031 3.960 0.006 0.000 0.287 453 G HA3 0.068 4.031 3.960 0.006 0.000 0.287 453 G C -1.426 173.457 174.900 -0.027 0.000 1.350 453 G CA -0.535 44.431 45.100 -0.223 0.000 1.039 453 G HN 0.270 nan 8.290 nan 0.000 0.513 454 Y N 0.902 121.151 120.300 -0.085 0.000 2.865 454 Y HA 0.068 4.622 4.550 0.006 0.000 0.338 454 Y C 0.101 176.090 175.900 0.149 0.000 1.269 454 Y CA 0.290 58.387 58.100 -0.006 0.000 1.585 454 Y CB 0.146 38.590 38.460 -0.027 0.000 1.224 454 Y HN 0.371 nan 8.280 nan 0.000 0.554 455 N N 6.072 124.509 118.700 -0.437 0.000 2.617 455 N HA 0.074 4.817 4.740 0.006 0.000 0.263 455 N C -1.634 173.657 175.510 -0.365 0.000 1.074 455 N CA -0.538 52.391 53.050 -0.201 0.000 0.841 455 N CB 0.281 38.784 38.487 0.027 0.000 1.221 455 N HN 0.746 nan 8.380 nan 0.000 0.529 456 N N 3.635 122.103 118.700 -0.387 0.000 2.402 456 N HA 0.067 4.811 4.740 0.006 0.000 0.259 456 N C -0.038 175.442 175.510 -0.050 0.000 1.167 456 N CA 0.187 53.107 53.050 -0.217 0.000 0.949 456 N CB 0.803 39.246 38.487 -0.072 0.000 1.212 456 N HN 0.240 nan 8.380 nan 0.000 0.493 457 V N 4.717 124.611 119.914 -0.033 0.000 3.219 457 V HA -0.068 4.056 4.120 0.006 0.000 0.240 457 V C 2.241 178.374 176.094 0.064 0.000 1.222 457 V CA 0.570 62.904 62.300 0.057 0.000 1.181 457 V CB -0.098 31.735 31.823 0.016 0.000 0.941 457 V HN 0.715 nan 8.190 nan 0.000 0.471 458 K N 1.930 122.332 120.400 0.005 0.000 2.286 458 K HA -0.298 4.025 4.320 0.006 0.000 0.203 458 K C 1.822 178.402 176.600 -0.035 0.000 1.045 458 K CA 2.194 58.480 56.287 -0.001 0.000 0.935 458 K CB -0.380 32.115 32.500 -0.009 0.000 0.737 458 K HN 0.696 nan 8.250 nan 0.000 0.460 459 Q N -0.655 119.088 119.800 -0.095 0.000 2.439 459 Q HA -0.172 4.171 4.340 0.006 0.000 0.211 459 Q C 0.510 176.254 176.000 -0.428 0.000 0.978 459 Q CA 1.278 56.920 55.803 -0.267 0.000 0.897 459 Q CB -0.146 28.369 28.738 -0.371 0.000 0.956 459 Q HN 0.573 nan 8.270 nan 0.000 0.483 460 Y N -0.866 119.419 120.300 -0.025 0.000 2.423 460 Y HA 0.347 4.900 4.550 0.006 0.000 0.257 460 Y C -0.347 175.540 175.900 -0.022 0.000 1.087 460 Y CA -0.425 57.659 58.100 -0.026 0.000 1.258 460 Y CB 1.381 39.820 38.460 -0.036 0.000 1.237 460 Y HN 0.069 nan 8.280 nan 0.000 0.517 461 D N -0.319 120.146 120.400 0.109 0.000 2.550 461 D HA 0.059 4.702 4.640 0.006 0.000 0.135 461 D C 0.508 176.831 176.300 0.038 0.000 1.072 461 D CA 0.847 54.886 54.000 0.064 0.000 1.405 461 D CB 0.078 40.918 40.800 0.067 0.000 1.961 461 D HN 0.271 nan 8.370 nan 0.000 0.712 462 E N 1.561 121.773 120.200 0.021 0.000 2.333 462 E HA -0.087 4.267 4.350 0.006 0.000 0.200 462 E C 1.808 178.415 176.600 0.012 0.000 1.010 462 E CA 1.908 58.316 56.400 0.012 0.000 0.841 462 E CB -0.162 29.542 29.700 0.007 0.000 0.757 462 E HN 0.554 nan 8.360 nan 0.000 0.508 463 A N 0.113 122.942 122.820 0.015 0.000 1.873 463 A HA 0.144 4.467 4.320 0.006 0.000 0.215 463 A C 1.842 179.433 177.584 0.011 0.000 1.186 463 A CA 1.377 53.422 52.037 0.012 0.000 0.616 463 A CB 0.012 19.019 19.000 0.012 0.000 0.823 463 A HN 0.453 nan 8.150 nan 0.000 0.442 464 L N 0.278 121.509 121.223 0.013 0.000 2.682 464 L HA 0.120 4.463 4.340 0.006 0.000 0.240 464 L C 1.809 178.682 176.870 0.006 0.000 1.178 464 L CA 0.307 55.151 54.840 0.008 0.000 0.970 464 L CB -0.924 41.138 42.059 0.004 0.000 1.179 464 L HN 0.192 nan 8.230 nan 0.000 0.435 465 V N -0.004 119.914 119.914 0.006 0.000 2.379 465 V HA -0.201 3.923 4.120 0.006 0.000 0.245 465 V C 2.224 178.319 176.094 0.002 0.000 1.044 465 V CA 1.870 64.170 62.300 -0.001 0.000 1.036 465 V CB 0.044 31.865 31.823 -0.004 0.000 0.664 465 V HN 0.736 nan 8.190 nan 0.000 0.453 466 S N -0.964 114.741 115.700 0.008 0.000 2.603 466 S HA 0.037 4.511 4.470 0.006 0.000 0.229 466 S C 0.884 175.496 174.600 0.020 0.000 0.972 466 S CA 0.559 58.769 58.200 0.015 0.000 0.935 466 S CB 0.009 63.219 63.200 0.018 0.000 0.769 466 S HN 0.590 nan 8.310 nan 0.000 0.536 467 E N 0.420 120.627 120.200 0.012 0.000 4.176 467 E HA 0.227 4.581 4.350 0.006 0.000 0.222 467 E C -2.472 174.124 176.600 -0.007 0.000 1.142 467 E CA -1.324 55.082 56.400 0.010 0.000 1.400 467 E CB 1.026 30.734 29.700 0.013 0.000 1.206 467 E HN 0.214 nan 8.360 nan 0.000 0.413 468 P HA -0.191 nan 4.420 nan 0.000 0.220 468 P C 1.525 178.792 177.300 -0.055 0.000 1.144 468 P CA 1.364 64.441 63.100 -0.038 0.000 0.800 468 P CB 0.203 31.878 31.700 -0.042 0.000 0.772 469 S N 0.077 115.750 115.700 -0.046 0.000 2.359 469 S HA -0.212 4.261 4.470 0.006 0.000 0.224 469 S C 1.817 176.387 174.600 -0.049 0.000 1.035 469 S CA 1.157 59.325 58.200 -0.054 0.000 1.018 469 S CB -1.082 62.091 63.200 -0.045 0.000 0.876 469 S HN 0.167 nan 8.310 nan 0.000 0.448 470 K N 0.724 121.104 120.400 -0.033 0.000 2.097 470 K HA -0.142 4.181 4.320 0.006 0.000 0.214 470 K C 1.878 178.448 176.600 -0.051 0.000 1.052 470 K CA 1.489 57.757 56.287 -0.031 0.000 0.932 470 K CB -0.675 31.814 32.500 -0.018 0.000 0.716 470 K HN 0.193 nan 8.250 nan 0.000 0.455 471 L N 0.834 122.015 121.223 -0.070 0.000 2.270 471 L HA -0.177 4.166 4.340 0.006 0.000 0.217 471 L C 1.814 178.615 176.870 -0.115 0.000 1.107 471 L CA 1.671 56.446 54.840 -0.108 0.000 0.772 471 L CB -0.436 41.531 42.059 -0.154 0.000 0.902 471 L HN 0.337 nan 8.230 nan 0.000 0.439 472 I N -6.150 114.364 120.570 -0.093 0.000 3.966 472 I HA 0.307 4.481 4.170 0.006 0.000 0.324 472 I C -0.527 175.555 176.117 -0.058 0.000 1.517 472 I CA -0.310 60.940 61.300 -0.083 0.000 1.117 472 I CB 0.302 38.249 38.000 -0.090 0.000 1.190 472 I HN -0.134 nan 8.210 nan 0.000 0.466 473 D N 2.546 122.917 120.400 -0.049 0.000 2.718 473 D HA -0.092 4.552 4.640 0.006 0.000 0.242 473 D C 0.664 176.948 176.300 -0.027 0.000 1.123 473 D CA 1.800 55.781 54.000 -0.032 0.000 0.690 473 D CB -1.299 39.484 40.800 -0.027 0.000 1.059 473 D HN 1.075 nan 8.370 nan 0.000 0.429 474 G N -1.093 107.689 108.800 -0.030 0.000 2.999 474 G HA2 -0.019 3.944 3.960 0.006 0.000 0.686 474 G HA3 -0.019 3.944 3.960 0.006 0.000 0.686 474 G C 0.688 175.564 174.900 -0.040 0.000 1.057 474 G CA -0.253 44.832 45.100 -0.025 0.000 0.784 474 G HN 1.110 nan 8.290 nan 0.000 0.575 475 C N 1.109 120.375 119.300 -0.056 0.000 2.365 475 C HA 0.867 5.331 4.460 0.006 0.000 0.374 475 C C 2.428 177.381 174.990 -0.062 0.000 1.318 475 C CA 0.534 59.510 59.018 -0.071 0.000 2.239 475 C CB 0.728 28.406 27.740 -0.103 0.000 2.144 475 C HN 1.851 nan 8.230 nan 0.000 0.581 476 T N -0.545 113.973 114.554 -0.061 0.000 2.918 476 T HA -0.170 4.183 4.350 0.006 0.000 0.271 476 T C 1.268 175.946 174.700 -0.038 0.000 1.104 476 T CA 1.660 63.738 62.100 -0.036 0.000 1.114 476 T CB -0.781 68.071 68.868 -0.025 0.000 0.855 476 T HN 0.692 nan 8.240 nan 0.000 0.518 477 L N -0.446 120.705 121.223 -0.121 0.000 2.341 477 L HA 0.191 4.535 4.340 0.006 0.000 0.214 477 L C 2.607 179.529 176.870 0.087 0.000 1.115 477 L CA 0.864 55.614 54.840 -0.149 0.000 0.820 477 L CB -0.291 41.307 42.059 -0.767 0.000 0.944 477 L HN 0.213 nan 8.230 nan 0.000 0.452 478 E N -0.626 119.595 120.200 0.035 0.000 2.201 478 E HA 0.048 4.402 4.350 0.006 0.000 0.193 478 E C 0.277 176.909 176.600 0.053 0.000 0.957 478 E CA 0.351 56.797 56.400 0.077 0.000 0.858 478 E CB 0.618 30.346 29.700 0.047 0.000 0.816 478 E HN 0.041 nan 8.360 nan 0.000 0.475 479 V N 2.513 122.442 119.914 0.025 0.000 2.260 479 V HA 0.170 4.294 4.120 0.006 0.000 0.263 479 V C -2.107 173.997 176.094 0.016 0.000 1.036 479 V CA -1.082 61.228 62.300 0.016 0.000 0.874 479 V CB 1.179 33.003 31.823 0.003 0.000 1.116 479 V HN 0.038 nan 8.190 nan 0.000 0.454 480 P HA -0.176 nan 4.420 nan 0.000 0.218 480 P C 1.295 178.606 177.300 0.018 0.000 1.146 480 P CA 1.217 64.331 63.100 0.024 0.000 0.820 480 P CB 0.425 32.136 31.700 0.017 0.000 0.778 481 E N -0.583 119.625 120.200 0.012 0.000 2.204 481 E HA -0.122 4.232 4.350 0.006 0.000 0.194 481 E C 1.570 178.179 176.600 0.015 0.000 0.989 481 E CA 0.963 57.370 56.400 0.011 0.000 0.824 481 E CB -0.550 29.154 29.700 0.006 0.000 0.756 481 E HN 0.317 nan 8.360 nan 0.000 0.477 482 K N 0.106 120.512 120.400 0.011 0.000 2.486 482 K HA 0.092 4.415 4.320 0.006 0.000 0.194 482 K C 0.147 176.758 176.600 0.018 0.000 1.033 482 K CA 0.049 56.341 56.287 0.008 0.000 1.004 482 K CB 0.103 32.600 32.500 -0.005 0.000 0.798 482 K HN 0.161 nan 8.250 nan 0.000 0.495 483 I N 1.912 122.501 120.570 0.031 0.000 2.618 483 I HA -0.064 4.110 4.170 0.006 0.000 0.284 483 I C 0.034 176.193 176.117 0.071 0.000 1.146 483 I CA -0.179 61.151 61.300 0.050 0.000 1.425 483 I CB 0.925 38.967 38.000 0.069 0.000 1.383 483 I HN -0.249 nan 8.210 nan 0.000 0.562 484 V N 7.825 127.778 119.914 0.066 0.000 2.304 484 V HA 0.073 4.197 4.120 0.006 0.000 0.262 484 V C -0.212 175.943 176.094 0.102 0.000 1.061 484 V CA -0.591 61.753 62.300 0.073 0.000 0.872 484 V CB -0.072 31.772 31.823 0.034 0.000 1.077 484 V HN 0.422 nan 8.190 nan 0.000 0.480 485 Y N 6.225 126.537 120.300 0.021 0.000 2.465 485 Y HA 0.340 4.893 4.550 0.006 0.000 0.331 485 Y C 0.174 176.088 175.900 0.022 0.000 1.102 485 Y CA -0.362 57.754 58.100 0.027 0.000 1.358 485 Y CB 0.497 38.977 38.460 0.033 0.000 1.213 485 Y HN 0.433 nan 8.280 nan 0.000 0.525 486 I N 6.694 126.991 120.570 -0.455 0.000 2.362 486 I HA 0.113 4.287 4.170 0.006 0.000 0.289 486 I C 0.443 176.255 176.117 -0.509 0.000 0.994 486 I CA -0.509 60.599 61.300 -0.320 0.000 1.158 486 I CB 1.246 39.130 38.000 -0.194 0.000 1.315 486 I HN 0.735 nan 8.210 nan 0.000 0.451 487 D N 4.256 124.543 120.400 -0.188 0.000 2.202 487 D HA 0.023 4.667 4.640 0.006 0.000 0.214 487 D C 0.154 176.431 176.300 -0.038 0.000 0.967 487 D CA 1.423 55.402 54.000 -0.035 0.000 0.871 487 D CB 0.789 41.704 40.800 0.191 0.000 1.020 487 D HN 0.522 nan 8.370 nan 0.000 0.474 488 E N -0.680 119.507 120.200 -0.022 0.000 2.412 488 E HA 0.285 4.639 4.350 0.006 0.000 0.279 488 E C -0.394 176.194 176.600 -0.019 0.000 0.984 488 E CA -0.415 55.975 56.400 -0.016 0.000 0.788 488 E CB 1.808 31.516 29.700 0.013 0.000 1.277 488 E HN 0.047 nan 8.360 nan 0.000 0.455 489 L N -0.159 121.053 121.223 -0.019 0.000 3.217 489 L HA 0.305 4.648 4.340 0.006 0.000 0.288 489 L C 0.030 176.893 176.870 -0.012 0.000 1.202 489 L CA 0.081 54.910 54.840 -0.018 0.000 1.027 489 L CB 0.856 42.898 42.059 -0.029 0.000 1.427 489 L HN 0.281 nan 8.230 nan 0.000 0.600 490 D N 1.174 121.571 120.400 -0.005 0.000 2.402 490 D HA 0.233 4.876 4.640 0.006 0.000 0.252 490 D C 0.610 176.914 176.300 0.006 0.000 1.294 490 D CA 0.297 54.297 54.000 -0.001 0.000 0.948 490 D CB 1.842 42.641 40.800 -0.002 0.000 1.202 490 D HN 0.133 nan 8.370 nan 0.000 0.561 491 E N 2.360 122.565 120.200 0.007 0.000 2.511 491 E HA -0.035 4.319 4.350 0.006 0.000 0.196 491 E C 1.028 177.635 176.600 0.011 0.000 1.066 491 E CA 0.503 56.910 56.400 0.011 0.000 0.871 491 E CB -0.596 29.111 29.700 0.011 0.000 0.863 491 E HN 0.596 nan 8.360 nan 0.000 0.520 492 N N -0.681 118.024 118.700 0.009 0.000 2.482 492 N HA -0.005 4.738 4.740 0.006 0.000 0.179 492 N C -0.045 175.470 175.510 0.008 0.000 1.039 492 N CA 0.502 53.557 53.050 0.008 0.000 0.884 492 N CB 0.522 39.013 38.487 0.007 0.000 1.113 492 N HN 0.249 nan 8.380 nan 0.000 0.440 493 D N 0.819 121.225 120.400 0.010 0.000 2.438 493 D HA 0.182 4.825 4.640 0.006 0.000 0.257 493 D C -1.376 174.935 176.300 0.018 0.000 1.148 493 D CA -0.503 53.503 54.000 0.010 0.000 0.902 493 D CB -0.107 40.700 40.800 0.012 0.000 1.062 493 D HN 0.295 nan 8.370 nan 0.000 0.518 494 N N 0.338 119.051 118.700 0.022 0.000 3.364 494 N HA 0.125 4.869 4.740 0.006 0.000 0.294 494 N C -0.065 175.478 175.510 0.055 0.000 1.562 494 N CA -0.769 52.308 53.050 0.045 0.000 0.862 494 N CB 0.617 39.131 38.487 0.045 0.000 1.691 494 N HN -0.089 nan 8.380 nan 0.000 0.572 495 V N 0.235 120.217 119.914 0.113 0.000 2.427 495 V HA -0.149 3.975 4.120 0.006 0.000 0.248 495 V C 1.169 177.290 176.094 0.045 0.000 1.051 495 V CA 1.769 64.137 62.300 0.115 0.000 1.048 495 V CB -1.000 30.996 31.823 0.289 0.000 0.666 495 V HN 0.618 nan 8.190 nan 0.000 0.456 496 N N -0.002 118.730 118.700 0.055 0.000 2.166 496 N HA -0.131 4.612 4.740 0.006 0.000 0.186 496 N C 1.729 177.247 175.510 0.014 0.000 1.019 496 N CA 1.649 54.719 53.050 0.033 0.000 0.856 496 N CB -0.460 38.051 38.487 0.040 0.000 0.993 496 N HN 0.440 nan 8.380 nan 0.000 0.426 497 V N 1.641 121.562 119.914 0.011 0.000 2.379 497 V HA -0.109 4.015 4.120 0.006 0.000 0.245 497 V C 2.356 178.441 176.094 -0.017 0.000 1.044 497 V CA 1.361 63.661 62.300 0.000 0.000 1.036 497 V CB -0.211 31.613 31.823 0.001 0.000 0.664 497 V HN 0.233 nan 8.190 nan 0.000 0.453 498 R N -1.300 119.178 120.500 -0.037 0.000 2.090 498 R HA -0.047 4.297 4.340 0.006 0.000 0.228 498 R C 2.302 178.560 176.300 -0.069 0.000 1.110 498 R CA 1.197 57.252 56.100 -0.076 0.000 0.973 498 R CB -0.248 29.970 30.300 -0.138 0.000 0.869 498 R HN 0.368 nan 8.270 nan 0.000 0.440 499 M N 0.551 120.119 119.600 -0.054 0.000 2.062 499 M HA -0.154 4.329 4.480 0.006 0.000 0.259 499 M C 2.191 178.482 176.300 -0.015 0.000 1.076 499 M CA 1.455 56.727 55.300 -0.046 0.000 1.122 499 M CB -0.756 31.823 32.600 -0.035 0.000 1.312 499 M HN 0.070 nan 8.290 nan 0.000 0.412 500 E N 0.677 120.875 120.200 -0.004 0.000 2.219 500 E HA -0.221 4.132 4.350 0.006 0.000 0.198 500 E C 1.679 178.289 176.600 0.017 0.000 0.998 500 E CA 1.060 57.465 56.400 0.008 0.000 0.818 500 E CB -0.148 29.557 29.700 0.009 0.000 0.741 500 E HN 0.416 nan 8.360 nan 0.000 0.477 501 E N -0.472 119.734 120.200 0.010 0.000 2.267 501 E HA -0.127 4.226 4.350 0.006 0.000 0.197 501 E C 1.148 177.781 176.600 0.054 0.000 0.998 501 E CA 1.555 57.967 56.400 0.021 0.000 0.830 501 E CB 0.127 29.825 29.700 -0.002 0.000 0.751 501 E HN 0.333 nan 8.360 nan 0.000 0.491 502 T N -4.462 110.129 114.554 0.061 0.000 3.231 502 T HA 0.250 4.604 4.350 0.006 0.000 0.292 502 T C 1.430 176.236 174.700 0.176 0.000 1.001 502 T CA 0.349 62.533 62.100 0.141 0.000 0.920 502 T CB 0.601 69.503 68.868 0.057 0.000 1.140 502 T HN 0.026 nan 8.240 nan 0.000 0.525 503 K N 1.149 121.606 120.400 0.094 0.000 2.362 503 K HA 0.054 4.377 4.320 0.006 0.000 0.202 503 K C 2.131 178.764 176.600 0.054 0.000 1.045 503 K CA 1.752 58.077 56.287 0.063 0.000 0.936 503 K CB -1.751 30.765 32.500 0.028 0.000 0.747 503 K HN 0.842 nan 8.250 nan 0.000 0.467 504 E N -0.642 119.600 120.200 0.069 0.000 2.401 504 E HA 0.057 4.410 4.350 0.006 0.000 0.199 504 E C 1.480 177.900 176.600 -0.300 0.000 1.023 504 E CA 1.212 57.543 56.400 -0.114 0.000 0.859 504 E CB -0.634 28.965 29.700 -0.168 0.000 0.780 504 E HN 0.811 nan 8.360 nan 0.000 0.523 505 F N -1.506 118.439 119.950 -0.009 0.000 2.767 505 F HA 0.369 4.899 4.527 0.005 0.000 0.323 505 F C 1.310 177.101 175.800 -0.016 0.000 1.091 505 F CA -0.411 57.583 58.000 -0.010 0.000 1.192 505 F CB 0.934 39.928 39.000 -0.009 0.000 1.056 505 F HN -0.052 nan 8.300 nan 0.000 0.571 510 M N 2.226 121.789 119.600 -0.063 0.000 2.241 510 M HA 0.591 5.074 4.480 0.006 0.000 0.335 510 M C 0.044 176.421 176.300 0.127 0.000 1.122 510 M CA -0.539 54.733 55.300 -0.047 0.000 1.164 510 M CB 0.548 32.975 32.600 -0.288 0.000 1.459 510 M HN 0.564 nan 8.290 nan 0.000 0.461 511 I N 1.570 122.263 120.570 0.206 0.000 2.827 511 I HA 0.529 4.703 4.170 0.006 0.000 0.298 511 I C -1.262 174.993 176.117 0.230 0.000 1.235 511 I CA -0.515 60.924 61.300 0.230 0.000 1.021 511 I CB 2.355 40.419 38.000 0.107 0.000 1.259 511 I HN 0.795 nan 8.210 nan 0.000 0.427 512 K N 5.349 125.825 120.400 0.127 0.000 2.548 512 K HA 0.665 4.989 4.320 0.006 0.000 0.282 512 K C -3.073 173.491 176.600 -0.059 0.000 1.006 512 K CA -1.544 54.764 56.287 0.035 0.000 0.892 512 K CB 1.348 33.868 32.500 0.033 0.000 1.499 512 K HN 0.133 nan 8.250 nan 0.000 0.433 513 P HA 0.030 nan 4.420 nan 0.000 0.268 513 P C -1.315 175.888 177.300 -0.162 0.000 1.204 513 P CA 0.106 63.136 63.100 -0.116 0.000 0.768 513 P CB 0.543 32.163 31.700 -0.134 0.000 0.842 514 E N 0.872 120.984 120.200 -0.147 0.000 2.343 514 E HA 0.368 4.722 4.350 0.006 0.000 0.270 514 E C -0.243 176.222 176.600 -0.225 0.000 0.895 514 E CA -0.970 55.331 56.400 -0.165 0.000 0.767 514 E CB 1.735 31.401 29.700 -0.056 0.000 1.248 514 E HN 0.155 nan 8.360 nan 0.000 0.440 515 V N -0.594 119.051 119.914 -0.450 0.000 3.379 515 V HA 0.202 4.326 4.120 0.006 0.000 0.249 515 V C 1.137 176.806 176.094 -0.707 0.000 1.184 515 V CA 1.441 63.298 62.300 -0.738 0.000 1.106 515 V CB -0.601 30.145 31.823 -1.794 0.000 0.826 515 V HN 0.901 nan 8.190 nan 0.000 0.465 516 E N -2.703 117.190 120.200 -0.511 0.000 2.662 516 E HA 0.118 4.472 4.350 0.006 0.000 0.205 516 E C -0.095 176.584 176.600 0.132 0.000 1.003 516 E CA -0.460 55.659 56.400 -0.468 0.000 1.685 516 E CB 0.193 29.594 29.700 -0.499 0.000 2.386 516 E HN 0.446 nan 8.360 nan 0.000 1.092 517 W N 2.971 124.230 121.300 -0.068 0.000 2.632 517 W HA 0.469 5.132 4.660 0.006 0.000 0.328 517 W C -0.026 176.439 176.519 -0.090 0.000 1.044 517 W CA -1.816 55.495 57.345 -0.056 0.000 1.225 517 W CB 1.198 30.611 29.460 -0.078 0.000 1.396 517 W HN 0.079 nan 8.180 nan 0.000 0.499 518 Q N 1.999 121.867 119.800 0.113 0.000 2.687 518 Q HA 0.180 4.524 4.340 0.006 0.000 0.341 518 Q C 1.018 176.917 176.000 -0.168 0.000 1.074 518 Q CA 1.620 57.395 55.803 -0.047 0.000 1.115 518 Q CB 0.148 28.843 28.738 -0.073 0.000 0.996 518 Q HN 0.679 nan 8.270 nan 0.000 0.397 519 A N 3.977 126.633 122.820 -0.273 0.000 2.745 519 A HA -0.250 4.074 4.320 0.006 0.000 0.296 519 A C 0.566 177.984 177.584 -0.277 0.000 1.500 519 A CA 1.112 52.881 52.037 -0.447 0.000 0.766 519 A CB -1.947 16.398 19.000 -1.090 0.000 1.030 519 A HN 1.043 nan 8.150 nan 0.000 0.489 520 D N -1.372 118.936 120.400 -0.154 0.000 2.348 520 D HA 0.297 4.941 4.640 0.006 0.000 0.216 520 D C 1.575 177.769 176.300 -0.176 0.000 0.970 520 D CA 1.221 55.150 54.000 -0.119 0.000 0.889 520 D CB -0.518 40.216 40.800 -0.111 0.000 0.912 520 D HN 1.934 nan 8.370 nan 0.000 0.524 521 G N -0.985 107.691 108.800 -0.208 0.000 2.148 521 G HA2 -0.266 3.697 3.960 0.006 0.000 0.254 521 G HA3 -0.266 3.697 3.960 0.006 0.000 0.254 521 G C 0.285 175.049 174.900 -0.227 0.000 0.981 521 G CA 0.498 45.472 45.100 -0.209 0.000 0.670 521 G HN 0.498 nan 8.290 nan 0.000 0.528 522 T N 0.543 114.928 114.554 -0.282 0.000 2.845 522 T HA 0.635 4.989 4.350 0.006 0.000 0.288 522 T C 0.454 174.941 174.700 -0.354 0.000 0.980 522 T CA 0.276 62.176 62.100 -0.334 0.000 1.071 522 T CB 2.136 70.726 68.868 -0.463 0.000 0.941 522 T HN 1.451 nan 8.240 nan 0.000 0.487 523 V N 1.691 121.463 119.914 -0.236 0.000 3.160 523 V HA 0.858 4.981 4.120 0.006 0.000 0.310 523 V C -1.378 174.728 176.094 0.020 0.000 1.181 523 V CA -1.353 60.865 62.300 -0.137 0.000 1.047 523 V CB 2.001 33.782 31.823 -0.070 0.000 1.068 523 V HN 0.687 nan 8.190 nan 0.000 0.441 524 L N 2.621 123.932 121.223 0.147 0.000 2.298 524 L HA 0.784 5.127 4.340 0.006 0.000 0.284 524 L C -0.924 176.034 176.870 0.147 0.000 1.013 524 L CA -0.391 54.606 54.840 0.262 0.000 0.824 524 L CB 1.177 43.500 42.059 0.441 0.000 1.221 524 L HN 0.886 nan 8.230 nan 0.000 0.418 525 L N 4.766 126.057 121.223 0.112 0.000 2.307 525 L HA 0.749 5.093 4.340 0.006 0.000 0.284 525 L C -0.737 176.170 176.870 0.061 0.000 1.023 525 L CA 0.318 55.203 54.840 0.075 0.000 0.810 525 L CB 1.937 44.033 42.059 0.061 0.000 1.231 525 L HN 0.734 nan 8.230 nan 0.000 0.423 526 T N 6.310 120.894 114.554 0.050 0.000 2.930 526 T HA 0.530 4.883 4.350 0.006 0.000 0.313 526 T C -0.343 174.378 174.700 0.034 0.000 1.019 526 T CA -0.532 61.594 62.100 0.043 0.000 1.004 526 T CB 0.813 69.712 68.868 0.051 0.000 0.987 526 T HN 0.704 nan 8.240 nan 0.000 0.456 527 M N 1.544 121.159 119.600 0.025 0.000 2.755 527 M HA 0.880 5.364 4.480 0.006 0.000 0.298 527 M C -1.678 174.674 176.300 0.087 0.000 1.251 527 M CA -1.232 54.081 55.300 0.021 0.000 0.817 527 M CB 2.283 34.846 32.600 -0.062 0.000 1.760 527 M HN 0.409 nan 8.290 nan 0.000 0.473 528 F N 1.624 121.532 119.950 -0.070 0.000 2.507 528 F HA 0.759 5.289 4.527 0.005 0.000 0.325 528 F C -2.233 173.524 175.800 -0.073 0.000 1.116 528 F CA -0.764 57.203 58.000 -0.055 0.000 0.930 528 F CB 1.488 40.464 39.000 -0.040 0.000 1.146 528 F HN 0.545 nan 8.300 nan 0.000 0.447 529 L N 7.428 128.141 121.223 -0.850 0.000 2.356 529 L HA 0.467 4.810 4.340 0.006 0.000 0.277 529 L C -2.331 173.978 176.870 -0.935 0.000 0.996 529 L CA -2.016 52.407 54.840 -0.694 0.000 0.822 529 L CB 2.224 44.098 42.059 -0.308 0.000 1.256 529 L HN 0.473 nan 8.230 nan 0.000 0.413 530 P HA 0.096 nan 4.420 nan 0.000 0.231 530 P C -0.305 176.899 177.300 -0.160 0.000 1.756 530 P CA 0.317 63.221 63.100 -0.327 0.000 0.990 530 P CB 0.179 31.842 31.700 -0.062 0.000 1.973 531 T N -1.326 113.122 114.554 -0.177 0.000 2.665 531 T HA 0.444 4.797 4.350 0.006 0.000 0.303 531 T C -0.582 174.086 174.700 -0.053 0.000 1.334 531 T CA -0.412 61.643 62.100 -0.074 0.000 1.011 531 T CB 0.627 69.467 68.868 -0.047 0.000 1.573 531 T HN 0.031 nan 8.240 nan 0.000 0.492 532 S N 0.750 116.441 115.700 -0.015 0.000 2.580 532 S HA 0.175 4.648 4.470 0.006 0.000 0.266 532 S C 1.395 175.995 174.600 -0.000 0.000 1.354 532 S CA 0.643 58.844 58.200 0.001 0.000 1.008 532 S CB 0.441 63.651 63.200 0.016 0.000 0.898 532 S HN 0.970 nan 8.310 nan 0.000 0.555 533 K N 1.302 121.707 120.400 0.009 0.000 2.148 533 K HA -0.074 4.249 4.320 0.006 0.000 0.204 533 K C 2.250 178.866 176.600 0.027 0.000 1.050 533 K CA 1.012 57.303 56.287 0.006 0.000 0.942 533 K CB -0.195 32.310 32.500 0.009 0.000 0.724 533 K HN 0.630 nan 8.250 nan 0.000 0.446 534 R N 1.119 121.655 120.500 0.061 0.000 2.062 534 R HA -0.016 4.327 4.340 0.006 0.000 0.226 534 R C 2.118 178.535 176.300 0.196 0.000 1.125 534 R CA 1.093 57.272 56.100 0.132 0.000 0.966 534 R CB -0.177 30.213 30.300 0.149 0.000 0.861 534 R HN 0.081 nan 8.270 nan 0.000 0.433 535 V N 1.493 121.486 119.914 0.131 0.000 2.324 535 V HA -0.275 3.849 4.120 0.006 0.000 0.250 535 V C 2.480 178.645 176.094 0.118 0.000 1.060 535 V CA 1.984 64.361 62.300 0.128 0.000 1.042 535 V CB -0.970 30.891 31.823 0.064 0.000 0.650 535 V HN 0.539 nan 8.190 nan 0.000 0.450 536 A N -0.301 122.550 122.820 0.052 0.000 1.908 536 A HA -0.306 4.018 4.320 0.006 0.000 0.218 536 A C 2.315 179.913 177.584 0.022 0.000 1.181 536 A CA 2.154 54.195 52.037 0.006 0.000 0.627 536 A CB -0.535 18.427 19.000 -0.062 0.000 0.818 536 A HN 0.653 nan 8.150 nan 0.000 0.445 537 E N -1.237 118.964 120.200 0.002 0.000 2.051 537 E HA -0.190 4.163 4.350 0.006 0.000 0.192 537 E C 1.677 178.177 176.600 -0.167 0.000 0.991 537 E CA 1.506 57.834 56.400 -0.120 0.000 0.799 537 E CB -0.229 29.337 29.700 -0.224 0.000 0.748 537 E HN 0.629 nan 8.360 nan 0.000 0.449 538 F N 0.464 120.428 119.950 0.024 0.000 2.234 538 F HA 0.049 4.579 4.527 0.005 0.000 0.296 538 F C 2.398 178.220 175.800 0.036 0.000 1.089 538 F CA 0.837 58.851 58.000 0.023 0.000 1.343 538 F CB -0.471 38.534 39.000 0.008 0.000 1.040 538 F HN 0.106 nan 8.300 nan 0.000 0.498 539 A N 0.213 123.163 122.820 0.218 0.000 1.940 539 A HA -0.152 4.171 4.320 0.006 0.000 0.219 539 A C 2.386 180.151 177.584 0.302 0.000 1.176 539 A CA 1.849 54.004 52.037 0.197 0.000 0.631 539 A CB -1.232 17.911 19.000 0.238 0.000 0.814 539 A HN 0.319 nan 8.150 nan 0.000 0.446 540 A N -0.004 122.949 122.820 0.221 0.000 1.930 540 A HA -0.018 4.305 4.320 0.006 0.000 0.217 540 A C 1.980 179.665 177.584 0.168 0.000 1.175 540 A CA 1.449 53.611 52.037 0.207 0.000 0.627 540 A CB -0.448 18.587 19.000 0.058 0.000 0.815 540 A HN 0.418 nan 8.150 nan 0.000 0.443 541 I N 0.329 120.948 120.570 0.082 0.000 2.163 541 I HA -0.203 3.971 4.170 0.006 0.000 0.243 541 I C 2.380 178.541 176.117 0.072 0.000 1.085 541 I CA 1.400 62.734 61.300 0.056 0.000 1.347 541 I CB -1.558 36.460 38.000 0.030 0.000 1.044 541 I HN 0.330 nan 8.210 nan 0.000 0.408 542 E N 0.784 121.015 120.200 0.051 0.000 2.031 542 E HA -0.192 4.161 4.350 0.006 0.000 0.193 542 E C 2.282 178.843 176.600 -0.064 0.000 0.994 542 E CA 1.270 57.642 56.400 -0.048 0.000 0.800 542 E CB -0.621 28.986 29.700 -0.155 0.000 0.752 542 E HN 0.418 nan 8.360 nan 0.000 0.447 543 F N 1.228 121.194 119.950 0.026 0.000 2.192 543 F HA -0.210 4.320 4.527 0.004 0.000 0.301 543 F C 2.431 178.246 175.800 0.026 0.000 1.079 543 F CA 1.172 59.187 58.000 0.024 0.000 1.303 543 F CB -0.664 38.348 39.000 0.020 0.000 1.024 543 F HN 0.024 nan 8.300 nan 0.000 0.494 544 A N -0.148 122.789 122.820 0.195 0.000 1.929 544 A HA -0.137 4.186 4.320 0.006 0.000 0.216 544 A C 2.266 179.900 177.584 0.083 0.000 1.176 544 A CA 1.238 53.346 52.037 0.120 0.000 0.628 544 A CB -0.397 18.654 19.000 0.084 0.000 0.816 544 A HN 0.272 nan 8.150 nan 0.000 0.444 545 K N 0.059 120.497 120.400 0.064 0.000 2.103 545 K HA -0.049 4.274 4.320 0.006 0.000 0.204 545 K C 1.632 178.262 176.600 0.050 0.000 1.052 545 K CA 1.096 57.410 56.287 0.045 0.000 0.945 545 K CB -0.175 32.341 32.500 0.028 0.000 0.722 545 K HN 0.376 nan 8.250 nan 0.000 0.443 546 K N 0.511 120.941 120.400 0.049 0.000 2.442 546 K HA 0.004 4.327 4.320 0.006 0.000 0.198 546 K C 1.466 178.115 176.600 0.080 0.000 1.042 546 K CA 0.753 57.070 56.287 0.049 0.000 0.958 546 K CB 0.004 32.520 32.500 0.027 0.000 0.766 546 K HN 0.198 nan 8.250 nan 0.000 0.474 547 M N 1.011 120.669 119.600 0.097 0.000 2.551 547 M HA 0.082 4.566 4.480 0.006 0.000 0.252 547 M C -0.587 175.781 176.300 0.114 0.000 1.219 547 M CA -0.035 55.330 55.300 0.108 0.000 0.978 547 M CB 0.130 32.795 32.600 0.108 0.000 1.533 547 M HN 0.049 nan 8.290 nan 0.000 0.474 548 N N 1.164 119.924 118.700 0.100 0.000 2.735 548 N HA -0.151 4.592 4.740 0.006 0.000 0.248 548 N C -0.804 174.741 175.510 0.057 0.000 1.083 548 N CA 0.727 53.840 53.050 0.105 0.000 0.703 548 N CB -1.781 36.826 38.487 0.199 0.000 1.005 548 N HN 0.456 nan 8.380 nan 0.000 0.550 549 L N 0.311 121.555 121.223 0.035 0.000 2.399 549 L HA 0.290 4.634 4.340 0.006 0.000 0.266 549 L C 0.905 177.772 176.870 -0.005 0.000 1.114 549 L CA -0.266 54.572 54.840 -0.005 0.000 0.804 549 L CB 0.828 42.891 42.059 0.005 0.000 1.146 549 L HN -0.035 nan 8.230 nan 0.000 0.451 550 E N 1.230 121.413 120.200 -0.029 0.000 2.263 550 E HA 0.254 4.607 4.350 0.006 0.000 0.264 550 E C -0.503 176.085 176.600 -0.021 0.000 0.923 550 E CA -0.700 55.688 56.400 -0.019 0.000 0.802 550 E CB 1.566 31.250 29.700 -0.027 0.000 1.228 550 E HN 0.481 nan 8.360 nan 0.000 0.417 551 E N -0.484 119.711 120.200 -0.009 0.000 2.389 551 E HA -0.149 4.204 4.350 0.006 0.000 0.243 551 E C -0.588 176.007 176.600 -0.007 0.000 1.154 551 E CA 0.061 56.455 56.400 -0.009 0.000 0.723 551 E CB -1.232 28.456 29.700 -0.021 0.000 1.261 551 E HN 0.137 nan 8.360 nan 0.000 0.390 552 V N 1.403 121.317 119.914 -0.000 0.000 2.485 552 V HA -0.002 4.122 4.120 0.006 0.000 0.287 552 V C 0.742 176.833 176.094 -0.005 0.000 1.022 552 V CA 0.960 63.262 62.300 0.002 0.000 1.067 552 V CB 0.753 32.581 31.823 0.010 0.000 0.967 552 V HN 0.169 nan 8.190 nan 0.000 0.479 553 E N 3.540 123.738 120.200 -0.002 0.000 2.234 553 E HA 0.414 4.767 4.350 0.006 0.000 0.266 553 E C -1.178 175.410 176.600 -0.020 0.000 0.877 553 E CA -0.835 55.556 56.400 -0.015 0.000 0.758 553 E CB 2.589 32.286 29.700 -0.004 0.000 1.170 553 E HN 0.414 nan 8.360 nan 0.000 0.415 554 V N 4.785 124.664 119.914 -0.057 0.000 2.470 554 V HA 0.052 4.176 4.120 0.006 0.000 0.276 554 V C 0.983 177.044 176.094 -0.055 0.000 1.040 554 V CA 0.494 62.755 62.300 -0.065 0.000 1.008 554 V CB 0.181 31.932 31.823 -0.120 0.000 0.990 554 V HN 0.668 nan 8.190 nan 0.000 0.477 555 I N 1.668 122.212 120.570 -0.043 0.000 4.147 555 I HA 0.552 4.725 4.170 0.006 0.000 0.329 555 I C 0.138 176.213 176.117 -0.070 0.000 1.424 555 I CA -0.016 61.251 61.300 -0.055 0.000 1.127 555 I CB 0.514 38.485 38.000 -0.049 0.000 1.128 555 I HN 0.593 nan 8.210 nan 0.000 0.417 556 N N 1.970 120.635 118.700 -0.059 0.000 2.635 556 N HA 0.386 5.130 4.740 0.006 0.000 0.260 556 N C -1.696 173.789 175.510 -0.041 0.000 1.078 556 N CA -0.503 52.513 53.050 -0.056 0.000 1.012 556 N CB 1.588 40.036 38.487 -0.065 0.000 1.677 556 N HN 0.256 nan 8.380 nan 0.000 0.514 557 R N 2.061 122.541 120.500 -0.035 0.000 2.467 557 R HA 0.387 4.730 4.340 0.006 0.000 0.299 557 R C -0.956 175.338 176.300 -0.011 0.000 1.120 557 R CA -0.678 55.407 56.100 -0.024 0.000 0.940 557 R CB 1.605 31.887 30.300 -0.029 0.000 1.161 557 R HN 0.401 nan 8.270 nan 0.000 0.506 558 E N 2.228 122.429 120.200 0.003 0.000 2.174 558 E HA 0.209 4.562 4.350 0.006 0.000 0.282 558 E C -0.364 176.255 176.600 0.032 0.000 0.992 558 E CA -0.827 55.581 56.400 0.013 0.000 0.803 558 E CB 2.313 32.021 29.700 0.014 0.000 1.090 558 E HN 0.162 nan 8.360 nan 0.000 0.396 559 V N 5.454 125.385 119.914 0.028 0.000 2.439 559 V HA -0.044 4.080 4.120 0.006 0.000 0.271 559 V C 1.229 177.358 176.094 0.059 0.000 1.040 559 V CA -0.027 62.298 62.300 0.040 0.000 1.002 559 V CB 0.533 32.373 31.823 0.027 0.000 1.000 559 V HN 0.781 nan 8.190 nan 0.000 0.477 560 M N 2.040 121.703 119.600 0.104 0.000 2.074 560 M HA 0.051 4.535 4.480 0.006 0.000 0.258 560 M C 0.847 177.194 176.300 0.078 0.000 1.083 560 M CA 1.655 57.022 55.300 0.112 0.000 1.128 560 M CB -0.386 32.346 32.600 0.221 0.000 1.301 560 M HN 0.654 nan 8.290 nan 0.000 0.417 561 Q N 0.232 120.088 119.800 0.094 0.000 2.315 561 Q HA 0.175 4.519 4.340 0.006 0.000 0.273 561 Q C 0.237 176.271 176.000 0.056 0.000 1.053 561 Q CA -0.098 55.742 55.803 0.061 0.000 0.817 561 Q CB 2.394 31.166 28.738 0.056 0.000 1.326 561 Q HN 0.331 nan 8.270 nan 0.000 0.423 562 E N 2.050 122.272 120.200 0.037 0.000 2.119 562 E HA -0.348 4.006 4.350 0.006 0.000 0.221 562 E C 1.120 177.736 176.600 0.028 0.000 1.062 562 E CA 2.542 58.959 56.400 0.028 0.000 0.894 562 E CB 0.214 29.927 29.700 0.022 0.000 0.785 562 E HN 0.701 nan 8.360 nan 0.000 0.472 563 A N 0.833 123.672 122.820 0.031 0.000 1.855 563 A HA -0.133 4.190 4.320 0.006 0.000 0.213 563 A C 1.935 179.544 177.584 0.042 0.000 1.195 563 A CA 1.101 53.155 52.037 0.030 0.000 0.610 563 A CB -0.308 18.709 19.000 0.028 0.000 0.837 563 A HN 0.147 nan 8.150 nan 0.000 0.444 564 E N -0.317 119.924 120.200 0.069 0.000 2.160 564 E HA 0.117 4.470 4.350 0.006 0.000 0.195 564 E C 0.987 177.695 176.600 0.180 0.000 0.991 564 E CA 1.062 57.533 56.400 0.118 0.000 0.810 564 E CB -0.330 29.448 29.700 0.129 0.000 0.742 564 E HN 0.670 nan 8.360 nan 0.000 0.466 565 G N -0.983 107.894 108.800 0.128 0.000 2.347 565 G HA2 0.177 4.140 3.960 0.006 0.000 0.303 565 G HA3 0.177 4.140 3.960 0.006 0.000 0.303 565 G C -1.068 173.850 174.900 0.031 0.000 1.481 565 G CA -0.618 44.451 45.100 -0.052 0.000 0.914 565 G HN -0.063 nan 8.290 nan 0.000 0.638 566 T N 0.284 114.708 114.554 -0.216 0.000 2.893 566 T HA 0.648 5.001 4.350 0.006 0.000 0.291 566 T C 0.067 174.768 174.700 0.002 0.000 1.028 566 T CA -0.670 61.405 62.100 -0.042 0.000 0.995 566 T CB 1.846 70.671 68.868 -0.072 0.000 1.051 566 T HN 0.693 nan 8.240 nan 0.000 0.470 567 R N 3.097 123.665 120.500 0.113 0.000 2.254 567 R HA 0.536 4.879 4.340 0.006 0.000 0.318 567 R C -1.033 175.286 176.300 0.032 0.000 1.031 567 R CA -0.424 55.746 56.100 0.118 0.000 0.905 567 R CB 0.311 30.684 30.300 0.122 0.000 1.050 567 R HN 0.443 nan 8.270 nan 0.000 0.456 568 I N 3.599 124.178 120.570 0.015 0.000 2.545 568 I HA 0.317 4.491 4.170 0.006 0.000 0.292 568 I C -0.646 175.472 176.117 0.002 0.000 1.040 568 I CA -0.692 60.602 61.300 -0.009 0.000 1.068 568 I CB 2.157 40.139 38.000 -0.030 0.000 1.251 568 I HN 0.733 nan 8.210 nan 0.000 0.424 569 E N 6.170 126.366 120.200 -0.006 0.000 2.218 569 E HA 0.602 4.956 4.350 0.006 0.000 0.263 569 E C -1.460 175.143 176.600 0.005 0.000 0.879 569 E CA -0.726 55.678 56.400 0.007 0.000 0.762 569 E CB 2.626 32.324 29.700 -0.003 0.000 1.166 569 E HN 0.315 nan 8.360 nan 0.000 0.415 570 L N 0.247 121.488 121.223 0.029 0.000 2.341 570 L HA 0.581 4.925 4.340 0.006 0.000 0.267 570 L C -0.366 176.554 176.870 0.084 0.000 1.009 570 L CA -1.152 53.709 54.840 0.035 0.000 0.819 570 L CB 0.777 42.845 42.059 0.015 0.000 1.323 570 L HN 0.322 nan 8.230 nan 0.000 0.425 571 K N -0.125 120.335 120.400 0.100 0.000 2.110 571 K HA 0.930 5.253 4.320 0.006 0.000 0.263 571 K C -0.330 176.303 176.600 0.055 0.000 0.975 571 K CA -0.563 55.810 56.287 0.144 0.000 0.895 571 K CB 1.797 34.445 32.500 0.246 0.000 1.060 571 K HN 0.893 nan 8.250 nan 0.000 0.448 572 G N 1.182 109.992 108.800 0.016 0.000 2.690 572 G HA2 0.412 4.376 3.960 0.006 0.000 0.291 572 G HA3 0.412 4.376 3.960 0.006 0.000 0.291 572 G C -1.697 173.155 174.900 -0.080 0.000 1.403 572 G CA -1.062 44.024 45.100 -0.024 0.000 0.864 572 G HN 0.573 nan 8.290 nan 0.000 0.480 573 R N 0.746 121.191 120.500 -0.091 0.000 2.387 573 R HA 0.557 4.901 4.340 0.006 0.000 0.314 573 R C -0.745 175.450 176.300 -0.174 0.000 0.958 573 R CA -0.486 55.533 56.100 -0.135 0.000 0.846 573 R CB 1.697 31.930 30.300 -0.113 0.000 1.147 573 R HN 0.303 nan 8.270 nan 0.000 0.447 574 V N 6.927 126.689 119.914 -0.252 0.000 2.555 574 V HA 0.214 4.337 4.120 0.006 0.000 0.286 574 V C -1.813 173.984 176.094 -0.495 0.000 1.044 574 V CA -1.161 60.868 62.300 -0.453 0.000 1.026 574 V CB 1.453 32.965 31.823 -0.517 0.000 0.981 574 V HN 0.798 nan 8.190 nan 0.000 0.480 575 P HA 0.364 nan 4.420 nan 0.000 0.240 575 P C -0.881 176.349 177.300 -0.118 0.000 1.854 575 P CA -0.043 62.906 63.100 -0.251 0.000 1.081 575 P CB -0.208 31.455 31.700 -0.062 0.000 1.646 576 F N -4.077 115.900 119.950 0.046 0.000 2.926 576 F HA 0.721 5.252 4.527 0.006 0.000 0.321 576 F C -0.485 175.366 175.800 0.085 0.000 1.168 576 F CA -1.225 56.812 58.000 0.061 0.000 0.890 576 F CB 0.078 39.102 39.000 0.040 0.000 1.357 576 F HN -0.432 nan 8.300 nan 0.000 0.468 577 S N -0.044 115.915 115.700 0.431 0.000 2.837 577 S HA 0.894 5.368 4.470 0.006 0.000 0.314 577 S C -1.651 173.100 174.600 0.250 0.000 1.098 577 S CA -0.571 57.817 58.200 0.314 0.000 0.903 577 S CB 2.090 65.441 63.200 0.251 0.000 1.310 577 S HN 0.534 nan 8.310 nan 0.000 0.581 578 I N 1.075 121.742 120.570 0.162 0.000 2.913 578 I HA 0.390 4.564 4.170 0.006 0.000 0.302 578 I C -1.670 174.479 176.117 0.052 0.000 1.246 578 I CA -0.373 60.985 61.300 0.097 0.000 1.010 578 I CB 2.298 40.358 38.000 0.101 0.000 1.259 578 I HN 0.461 nan 8.210 nan 0.000 0.434 579 D N 4.871 125.285 120.400 0.022 0.000 2.381 579 D HA 0.345 4.988 4.640 0.006 0.000 0.235 579 D C 1.166 177.470 176.300 0.006 0.000 1.068 579 D CA -0.357 53.645 54.000 0.004 0.000 0.832 579 D CB 1.195 41.988 40.800 -0.013 0.000 1.101 579 D HN 0.281 nan 8.370 nan 0.000 0.515 580 I N 3.140 123.715 120.570 0.008 0.000 2.113 580 I HA -0.337 3.836 4.170 0.006 0.000 0.242 580 I C 1.693 177.810 176.117 -0.001 0.000 1.064 580 I CA 1.051 62.354 61.300 0.006 0.000 1.320 580 I CB -0.964 37.038 38.000 0.003 0.000 1.028 580 I HN 0.487 nan 8.210 nan 0.000 0.406 581 N N 1.023 119.719 118.700 -0.006 0.000 2.322 581 N HA -0.140 4.603 4.740 0.006 0.000 0.189 581 N C 1.527 177.032 175.510 -0.008 0.000 1.012 581 N CA 1.318 54.362 53.050 -0.009 0.000 0.880 581 N CB -0.325 38.154 38.487 -0.013 0.000 0.967 581 N HN 0.354 nan 8.380 nan 0.000 0.439 582 S N -0.129 115.567 115.700 -0.007 0.000 2.597 582 S HA 0.251 4.725 4.470 0.006 0.000 0.224 582 S C 0.545 175.142 174.600 -0.006 0.000 0.955 582 S CA -0.252 57.943 58.200 -0.008 0.000 0.933 582 S CB 0.451 63.644 63.200 -0.010 0.000 0.788 582 S HN 0.164 nan 8.310 nan 0.000 0.488 583 L N 2.083 123.304 121.223 -0.002 0.000 2.275 583 L HA 0.423 4.767 4.340 0.006 0.000 0.288 583 L C -0.398 176.471 176.870 -0.002 0.000 1.046 583 L CA -0.676 54.164 54.840 -0.000 0.000 0.805 583 L CB 1.387 43.449 42.059 0.004 0.000 1.193 583 L HN -0.049 nan 8.230 nan 0.000 0.426 584 V N 5.756 125.668 119.914 -0.002 0.000 2.408 584 V HA 0.301 4.425 4.120 0.006 0.000 0.267 584 V C 0.205 176.298 176.094 -0.001 0.000 1.047 584 V CA 0.102 62.401 62.300 -0.003 0.000 0.937 584 V CB 0.737 32.558 31.823 -0.004 0.000 0.999 584 V HN 0.484 nan 8.190 nan 0.000 0.472 585 I N 7.019 127.588 120.570 -0.001 0.000 2.503 585 I HA 0.397 4.570 4.170 0.006 0.000 0.282 585 I C -2.156 173.961 176.117 -0.001 0.000 1.059 585 I CA -1.469 59.831 61.300 -0.000 0.000 1.081 585 I CB 1.998 39.997 38.000 -0.000 0.000 1.210 585 I HN 0.506 nan 8.210 nan 0.000 0.450 586 P HA 0.550 nan 4.420 nan 0.000 0.276 586 P C -2.365 174.935 177.300 0.001 0.000 1.261 586 P CA -0.877 62.224 63.100 0.000 0.000 0.800 586 P CB -0.253 31.447 31.700 0.001 0.000 1.066 592 L N 4.061 125.283 121.223 -0.002 0.000 2.397 592 L HA 0.395 4.738 4.340 0.006 0.000 0.271 592 L C 1.043 177.893 176.870 -0.033 0.000 1.148 592 L CA -0.196 54.631 54.840 -0.021 0.000 0.825 592 L CB 1.510 43.548 42.059 -0.035 0.000 1.117 592 L HN 0.864 nan 8.230 nan 0.000 0.456 593 S N 0.743 116.425 115.700 -0.030 0.000 2.592 593 S HA 0.236 4.709 4.470 0.006 0.000 0.271 593 S C 1.175 175.744 174.600 -0.052 0.000 1.326 593 S CA -0.090 58.094 58.200 -0.026 0.000 1.024 593 S CB 1.522 64.716 63.200 -0.010 0.000 0.921 593 S HN 0.716 nan 8.310 nan 0.000 0.527 594 E N 1.086 121.269 120.200 -0.029 0.000 2.147 594 E HA -0.251 4.102 4.350 0.006 0.000 0.199 594 E C 1.306 177.914 176.600 0.013 0.000 1.005 594 E CA 2.107 58.503 56.400 -0.007 0.000 0.810 594 E CB -1.245 28.544 29.700 0.150 0.000 0.736 594 E HN 0.827 nan 8.360 nan 0.000 0.460 595 D N -0.792 119.618 120.400 0.017 0.000 2.234 595 D HA 0.086 4.730 4.640 0.006 0.000 0.205 595 D C 2.287 178.587 176.300 -0.000 0.000 0.962 595 D CA 1.449 55.462 54.000 0.021 0.000 0.855 595 D CB -0.070 40.742 40.800 0.020 0.000 0.951 595 D HN 0.680 nan 8.370 nan 0.000 0.500 596 E N 0.647 120.836 120.200 -0.019 0.000 2.072 596 E HA -0.063 4.290 4.350 0.006 0.000 0.190 596 E C 2.111 178.687 176.600 -0.040 0.000 0.982 596 E CA 0.612 56.996 56.400 -0.025 0.000 0.803 596 E CB -0.741 28.942 29.700 -0.027 0.000 0.755 596 E HN 0.253 nan 8.360 nan 0.000 0.453 597 I N 0.084 120.606 120.570 -0.079 0.000 2.113 597 I HA -0.228 3.946 4.170 0.006 0.000 0.238 597 I C 2.853 178.938 176.117 -0.053 0.000 1.070 597 I CA 1.854 63.085 61.300 -0.116 0.000 1.332 597 I CB -0.196 37.633 38.000 -0.285 0.000 1.044 597 I HN 0.234 nan 8.210 nan 0.000 0.402 598 R N 0.811 121.306 120.500 -0.008 0.000 2.174 598 R HA -0.284 4.060 4.340 0.006 0.000 0.253 598 R C 2.262 178.583 176.300 0.034 0.000 1.165 598 R CA 2.262 58.404 56.100 0.069 0.000 0.984 598 R CB -0.315 30.048 30.300 0.105 0.000 0.873 598 R HN 0.525 nan 8.270 nan 0.000 0.456 599 E N 0.323 120.530 120.200 0.012 0.000 2.158 599 E HA -0.162 4.191 4.350 0.006 0.000 0.191 599 E C 1.559 178.160 176.600 0.002 0.000 0.982 599 E CA 1.296 57.700 56.400 0.007 0.000 0.823 599 E CB -0.574 29.127 29.700 0.001 0.000 0.766 599 E HN 0.542 nan 8.360 nan 0.000 0.468 600 D N -0.103 120.293 120.400 -0.006 0.000 2.120 600 D HA 0.005 4.649 4.640 0.006 0.000 0.202 600 D C 1.859 178.157 176.300 -0.002 0.000 0.972 600 D CA 0.848 54.843 54.000 -0.010 0.000 0.837 600 D CB -0.124 40.663 40.800 -0.022 0.000 0.989 600 D HN 0.458 nan 8.370 nan 0.000 0.469 601 I N 0.334 120.906 120.570 0.004 0.000 2.394 601 I HA -0.162 4.011 4.170 0.006 0.000 0.251 601 I C 2.219 178.347 176.117 0.019 0.000 1.136 601 I CA 0.829 62.139 61.300 0.015 0.000 1.425 601 I CB -0.287 37.732 38.000 0.032 0.000 1.079 601 I HN 0.065 nan 8.210 nan 0.000 0.425 602 E N 1.779 121.991 120.200 0.019 0.000 2.077 602 E HA -0.254 4.100 4.350 0.006 0.000 0.193 602 E C 2.243 178.850 176.600 0.011 0.000 0.989 602 E CA 1.482 57.891 56.400 0.016 0.000 0.800 602 E CB -0.001 29.708 29.700 0.016 0.000 0.746 602 E HN 0.205 nan 8.360 nan 0.000 0.452 603 K N -0.783 119.622 120.400 0.008 0.000 2.044 603 K HA 0.013 4.337 4.320 0.006 0.000 0.204 603 K C -0.049 176.553 176.600 0.004 0.000 1.049 603 K CA 1.296 57.586 56.287 0.005 0.000 0.945 603 K CB 0.246 32.747 32.500 0.001 0.000 0.724 603 K HN 0.053 nan 8.250 nan 0.000 0.440 604 T N 3.850 118.406 114.554 0.003 0.000 3.064 604 T HA 0.322 4.676 4.350 0.006 0.000 0.367 604 T C -2.737 171.967 174.700 0.007 0.000 1.202 604 T CA -1.398 60.704 62.100 0.003 0.000 1.133 604 T CB 1.825 70.691 68.868 -0.003 0.000 1.074 604 T HN 0.019 nan 8.240 nan 0.000 0.519 605 P HA 0.120 nan 4.420 nan 0.000 0.265 605 P C -0.849 176.464 177.300 0.021 0.000 1.187 605 P CA -0.549 62.563 63.100 0.020 0.000 0.766 605 P CB 0.468 32.182 31.700 0.023 0.000 0.820 606 L N 3.783 125.023 121.223 0.028 0.000 2.349 606 L HA 0.450 4.793 4.340 0.006 0.000 0.278 606 L C -0.179 176.722 176.870 0.052 0.000 0.996 606 L CA -0.456 54.403 54.840 0.031 0.000 0.825 606 L CB 0.965 43.037 42.059 0.021 0.000 1.243 606 L HN 0.199 nan 8.230 nan 0.000 0.412 607 K N 4.395 124.833 120.400 0.064 0.000 2.244 607 K HA 0.681 5.005 4.320 0.006 0.000 0.260 607 K C -1.500 175.171 176.600 0.118 0.000 0.951 607 K CA -0.653 55.697 56.287 0.104 0.000 0.826 607 K CB 1.556 34.123 32.500 0.112 0.000 1.108 607 K HN 0.492 nan 8.250 nan 0.000 0.433 608 I N 3.383 124.047 120.570 0.157 0.000 2.689 608 I HA 0.274 4.447 4.170 0.006 0.000 0.299 608 I C -0.666 175.567 176.117 0.193 0.000 1.059 608 I CA -0.840 60.548 61.300 0.147 0.000 1.055 608 I CB 2.025 40.097 38.000 0.120 0.000 1.243 608 I HN 0.395 nan 8.210 nan 0.000 0.425 609 V N 2.781 122.788 119.914 0.155 0.000 2.547 609 V HA 1.040 5.163 4.120 0.006 0.000 0.299 609 V C -0.526 175.659 176.094 0.152 0.000 1.040 609 V CA -0.360 62.036 62.300 0.160 0.000 0.913 609 V CB 1.344 33.227 31.823 0.100 0.000 0.992 609 V HN 1.013 nan 8.190 nan 0.000 0.449 610 A N 3.211 126.139 122.820 0.180 0.000 2.574 610 A HA 1.083 5.406 4.320 0.006 0.000 0.297 610 A C -0.404 177.311 177.584 0.217 0.000 1.062 610 A CA -0.217 51.938 52.037 0.197 0.000 0.686 610 A CB 1.660 20.786 19.000 0.210 0.000 1.285 610 A HN 2.737 nan 8.150 nan 0.000 0.403 611 A N 0.157 123.082 122.820 0.175 0.000 2.590 611 A HA 0.687 5.010 4.320 0.006 0.000 0.294 611 A C -0.535 177.111 177.584 0.103 0.000 1.046 611 A CA -0.231 51.861 52.037 0.091 0.000 0.684 611 A CB 0.466 19.453 19.000 -0.021 0.000 1.279 611 A HN 1.156 nan 8.150 nan 0.000 0.415 612 T N 1.714 116.320 114.554 0.087 0.000 2.776 612 T HA 0.385 4.738 4.350 0.006 0.000 0.292 612 T C 0.204 174.932 174.700 0.047 0.000 0.921 612 T CA 0.231 62.381 62.100 0.083 0.000 1.038 612 T CB 0.153 69.082 68.868 0.101 0.000 0.910 612 T HN 0.900 nan 8.240 nan 0.000 0.536 613 V N 4.175 124.120 119.914 0.052 0.000 2.834 613 V HA 0.708 4.832 4.120 0.006 0.000 0.301 613 V C 0.965 177.084 176.094 0.043 0.000 1.066 613 V CA 1.473 63.797 62.300 0.040 0.000 1.052 613 V CB 0.667 32.517 31.823 0.046 0.000 1.021 613 V HN 1.171 nan 8.190 nan 0.000 0.480 614 G N 5.049 113.870 108.800 0.034 0.000 2.508 614 G HA2 -0.177 3.787 3.960 0.006 0.000 0.220 614 G HA3 -0.177 3.787 3.960 0.006 0.000 0.220 614 G C -0.145 174.773 174.900 0.031 0.000 1.287 614 G CA 0.258 45.380 45.100 0.038 0.000 0.916 614 G HN 0.789 nan 8.290 nan 0.000 0.574 615 E N 1.219 121.442 120.200 0.038 0.000 2.464 615 E HA 0.343 4.696 4.350 0.006 0.000 0.260 615 E C -0.968 175.649 176.600 0.027 0.000 1.318 615 E CA -0.206 56.210 56.400 0.027 0.000 1.571 615 E CB 0.507 30.225 29.700 0.030 0.000 1.525 615 E HN 0.330 nan 8.360 nan 0.000 0.449 616 D N 0.956 121.372 120.400 0.027 0.000 2.492 616 D HA 0.114 4.758 4.640 0.006 0.000 0.248 616 D C 0.142 176.432 176.300 -0.016 0.000 1.101 616 D CA -0.359 53.663 54.000 0.037 0.000 0.840 616 D CB 1.307 42.163 40.800 0.093 0.000 1.209 616 D HN 0.014 nan 8.370 nan 0.000 0.524 617 E N 1.638 121.767 120.200 -0.119 0.000 2.451 617 E HA 0.027 4.381 4.350 0.006 0.000 0.194 617 E C -0.351 176.151 176.600 -0.164 0.000 1.027 617 E CA -0.183 56.134 56.400 -0.138 0.000 0.914 617 E CB -0.060 29.549 29.700 -0.152 0.000 1.054 617 E HN 0.471 nan 8.360 nan 0.000 0.461 618 H N 0.427 119.513 119.070 0.027 0.000 3.067 618 H HA 0.055 4.615 4.556 0.006 0.000 0.265 618 H C 1.476 176.831 175.328 0.046 0.000 1.234 618 H CA 0.056 56.121 56.048 0.028 0.000 1.452 618 H CB 0.613 30.386 29.762 0.017 0.000 1.527 618 H HN 0.023 nan 8.280 nan 0.000 0.486 619 S N 1.247 117.033 115.700 0.143 0.000 2.439 619 S HA -0.094 4.379 4.470 0.006 0.000 0.224 619 S C 2.022 176.685 174.600 0.106 0.000 1.029 619 S CA 0.382 58.669 58.200 0.145 0.000 0.946 619 S CB -0.163 63.127 63.200 0.151 0.000 0.797 619 S HN 0.342 nan 8.310 nan 0.000 0.504 620 V N 2.950 122.914 119.914 0.083 0.000 2.252 620 V HA -0.155 3.969 4.120 0.006 0.000 0.249 620 V C 2.964 179.073 176.094 0.026 0.000 1.056 620 V CA 2.121 64.445 62.300 0.041 0.000 1.022 620 V CB -1.868 29.981 31.823 0.043 0.000 0.641 620 V HN 0.629 nan 8.190 nan 0.000 0.445 621 G N -0.076 108.747 108.800 0.038 0.000 2.574 621 G HA2 -0.330 3.634 3.960 0.006 0.000 0.220 621 G HA3 -0.330 3.634 3.960 0.006 0.000 0.220 621 G C 1.573 176.480 174.900 0.012 0.000 1.173 621 G CA 1.589 46.703 45.100 0.024 0.000 0.772 621 G HN 0.443 nan 8.290 nan 0.000 0.585 622 L N 0.444 121.681 121.223 0.022 0.000 2.044 622 L HA 0.163 4.507 4.340 0.006 0.000 0.205 622 L C 2.800 179.630 176.870 -0.067 0.000 1.075 622 L CA 1.624 56.467 54.840 0.004 0.000 0.747 622 L CB -0.724 41.378 42.059 0.073 0.000 0.903 622 L HN 0.152 nan 8.230 nan 0.000 0.435 623 R N -0.574 119.864 120.500 -0.103 0.000 2.200 623 R HA -0.204 4.140 4.340 0.006 0.000 0.234 623 R C 2.038 178.268 176.300 -0.117 0.000 1.127 623 R CA 1.209 57.198 56.100 -0.185 0.000 0.989 623 R CB -0.141 30.049 30.300 -0.183 0.000 0.869 623 R HN 0.405 nan 8.270 nan 0.000 0.459 624 E N 0.100 120.266 120.200 -0.056 0.000 2.208 624 E HA -0.097 4.256 4.350 0.006 0.000 0.193 624 E C 1.437 178.028 176.600 -0.014 0.000 0.988 624 E CA 0.866 57.259 56.400 -0.012 0.000 0.828 624 E CB 0.379 30.101 29.700 0.036 0.000 0.763 624 E HN 0.258 nan 8.360 nan 0.000 0.478 625 V N -1.820 118.070 119.914 -0.041 0.000 3.596 625 V HA 0.282 4.405 4.120 0.006 0.000 0.289 625 V C 1.398 177.455 176.094 -0.061 0.000 1.336 625 V CA 0.197 62.468 62.300 -0.048 0.000 1.137 625 V CB -0.248 31.531 31.823 -0.073 0.000 0.966 625 V HN 0.157 nan 8.190 nan 0.000 0.428 626 I N -0.732 119.786 120.570 -0.088 0.000 3.136 626 I HA 0.250 4.424 4.170 0.006 0.000 0.262 626 I C 0.321 176.368 176.117 -0.116 0.000 1.132 626 I CA -0.010 61.228 61.300 -0.104 0.000 1.450 626 I CB 0.066 37.971 38.000 -0.158 0.000 1.315 626 I HN 0.199 nan 8.210 nan 0.000 0.460 627 D N 2.326 122.648 120.400 -0.131 0.000 2.487 627 D HA -0.003 4.640 4.640 0.006 0.000 0.243 627 D C 1.107 177.333 176.300 -0.123 0.000 1.154 627 D CA 0.454 54.373 54.000 -0.135 0.000 0.876 627 D CB 1.315 42.023 40.800 -0.153 0.000 1.161 627 D HN 0.194 nan 8.370 nan 0.000 0.478 628 I N 2.680 123.174 120.570 -0.127 0.000 2.335 628 I HA -0.342 3.832 4.170 0.006 0.000 0.251 628 I C 2.112 178.168 176.117 -0.101 0.000 1.129 628 I CA 1.293 62.515 61.300 -0.130 0.000 1.402 628 I CB 0.177 38.102 38.000 -0.125 0.000 1.069 628 I HN 0.227 nan 8.210 nan 0.000 0.424 629 K N 1.079 121.406 120.400 -0.122 0.000 2.148 629 K HA -0.292 4.032 4.320 0.006 0.000 0.213 629 K C 0.911 177.486 176.600 -0.042 0.000 1.050 629 K CA 2.125 58.318 56.287 -0.156 0.000 0.932 629 K CB -0.579 31.739 32.500 -0.305 0.000 0.717 629 K HN 0.648 nan 8.250 nan 0.000 0.462 630 H N -2.301 116.723 119.070 -0.077 0.000 2.562 630 H HA 0.297 4.857 4.556 0.006 0.000 0.249 630 H C -0.046 175.235 175.328 -0.078 0.000 1.195 630 H CA -0.326 55.682 56.048 -0.066 0.000 0.938 630 H CB 0.498 30.230 29.762 -0.050 0.000 1.891 630 H HN 0.418 nan 8.280 nan 0.000 0.595 631 G N 1.221 110.022 108.800 0.001 0.000 2.298 631 G HA2 -0.240 3.723 3.960 0.006 0.000 0.287 631 G HA3 -0.240 3.723 3.960 0.006 0.000 0.287 631 G C 0.591 175.435 174.900 -0.094 0.000 1.075 631 G CA 0.094 45.142 45.100 -0.086 0.000 0.960 631 G HN 0.624 nan 8.290 nan 0.000 0.502 632 G N -0.681 108.053 108.800 -0.110 0.000 2.588 632 G HA2 0.625 4.589 3.960 0.006 0.000 0.281 632 G HA3 0.625 4.589 3.960 0.006 0.000 0.281 632 G C 1.437 176.274 174.900 -0.106 0.000 1.236 632 G CA -0.399 44.651 45.100 -0.083 0.000 0.969 632 G HN 1.030 nan 8.290 nan 0.000 0.504 633 I N -1.902 118.657 120.570 -0.019 0.000 2.676 633 I HA -0.012 4.161 4.170 0.006 0.000 0.259 633 I C 2.207 178.331 176.117 0.012 0.000 1.194 633 I CA 1.630 62.980 61.300 0.083 0.000 1.473 633 I CB -0.341 37.720 38.000 0.101 0.000 1.096 633 I HN 0.732 nan 8.210 nan 0.000 0.443 634 E N 2.885 123.043 120.200 -0.071 0.000 2.204 634 E HA -0.271 4.083 4.350 0.006 0.000 0.194 634 E C 2.121 178.643 176.600 -0.131 0.000 0.989 634 E CA 0.881 57.234 56.400 -0.078 0.000 0.824 634 E CB -0.405 29.243 29.700 -0.087 0.000 0.756 634 E HN 0.615 nan 8.360 nan 0.000 0.477 635 K N 0.366 120.609 120.400 -0.261 0.000 2.173 635 K HA -0.220 4.103 4.320 0.006 0.000 0.207 635 K C 1.131 177.520 176.600 -0.352 0.000 1.046 635 K CA 1.702 57.755 56.287 -0.389 0.000 0.929 635 K CB -0.209 31.893 32.500 -0.663 0.000 0.720 635 K HN 0.259 nan 8.250 nan 0.000 0.453 636 Y N -0.902 119.386 120.300 -0.019 0.000 2.500 636 Y HA 0.214 4.767 4.550 0.006 0.000 0.270 636 Y C 1.503 177.396 175.900 -0.011 0.000 1.134 636 Y CA 0.463 58.555 58.100 -0.013 0.000 1.293 636 Y CB 0.737 39.191 38.460 -0.011 0.000 1.063 636 Y HN 0.350 nan 8.280 nan 0.000 0.534 637 G N -0.219 108.632 108.800 0.084 0.000 2.138 637 G HA2 -0.215 3.749 3.960 0.006 0.000 0.193 637 G HA3 -0.215 3.749 3.960 0.006 0.000 0.193 637 G C -0.379 174.550 174.900 0.049 0.000 0.998 637 G CA -0.097 45.032 45.100 0.050 0.000 0.668 637 G HN 0.064 nan 8.290 nan 0.000 0.516 638 V N 1.118 121.068 119.914 0.060 0.000 2.508 638 V HA 0.321 4.445 4.120 0.006 0.000 0.281 638 V C 0.986 177.091 176.094 0.020 0.000 1.041 638 V CA -0.004 62.326 62.300 0.050 0.000 1.016 638 V CB 1.518 33.382 31.823 0.068 0.000 0.984 638 V HN 0.482 nan 8.190 nan 0.000 0.478 639 E N 4.316 124.530 120.200 0.023 0.000 2.366 639 E HA 0.308 4.661 4.350 0.006 0.000 0.266 639 E C -1.089 175.512 176.600 0.003 0.000 1.015 639 E CA -0.235 56.163 56.400 -0.003 0.000 0.906 639 E CB 0.916 30.638 29.700 0.037 0.000 0.979 639 E HN 0.512 nan 8.360 nan 0.000 0.443 640 V N 5.782 125.649 119.914 -0.078 0.000 2.540 640 V HA 0.222 4.345 4.120 0.006 0.000 0.302 640 V C -0.581 175.423 176.094 -0.149 0.000 1.035 640 V CA -0.791 61.490 62.300 -0.033 0.000 0.873 640 V CB 1.739 33.549 31.823 -0.022 0.000 0.992 640 V HN 0.705 nan 8.190 nan 0.000 0.428 641 H N 4.107 123.229 119.070 0.087 0.000 2.595 641 H HA 0.321 4.880 4.556 0.006 0.000 0.313 641 H C -1.444 173.980 175.328 0.160 0.000 1.023 641 H CA -0.342 55.765 56.048 0.099 0.000 1.218 641 H CB 1.615 31.414 29.762 0.063 0.000 1.403 641 H HN 0.639 nan 8.280 nan 0.000 0.477 642 Y N 4.179 124.522 120.300 0.073 0.000 2.326 642 Y HA 0.143 4.696 4.550 0.006 0.000 0.337 642 Y C 0.299 176.231 175.900 0.053 0.000 1.023 642 Y CA -0.770 57.358 58.100 0.047 0.000 1.143 642 Y CB 0.712 39.180 38.460 0.012 0.000 1.183 642 Y HN 0.564 nan 8.280 nan 0.000 0.485 643 L N 5.075 126.053 121.223 -0.408 0.000 2.664 643 L HA 0.364 4.707 4.340 0.006 0.000 0.233 643 L C 1.067 177.648 176.870 -0.483 0.000 1.113 643 L CA 0.535 55.185 54.840 -0.316 0.000 0.896 643 L CB -0.405 41.570 42.059 -0.141 0.000 1.163 643 L HN 0.966 nan 8.230 nan 0.000 0.497 644 G N 0.948 109.134 108.800 -1.023 0.000 2.548 644 G HA2 -0.209 3.754 3.960 0.006 0.000 0.208 644 G HA3 -0.209 3.754 3.960 0.006 0.000 0.208 644 G C -0.130 174.575 174.900 -0.325 0.000 1.308 644 G CA -0.298 44.400 45.100 -0.670 0.000 0.924 644 G HN 0.183 nan 8.290 nan 0.000 0.540 645 T N -3.239 111.236 114.554 -0.131 0.000 2.944 645 T HA 0.689 5.042 4.350 0.006 0.000 0.284 645 T C 0.933 175.605 174.700 -0.046 0.000 1.010 645 T CA 0.886 62.960 62.100 -0.044 0.000 1.025 645 T CB 1.692 70.558 68.868 -0.003 0.000 1.079 645 T HN 2.361 nan 8.240 nan 0.000 0.516 646 S N -0.675 115.013 115.700 -0.021 0.000 3.361 646 S HA -0.123 4.350 4.470 0.006 0.000 0.288 646 S C 0.195 174.784 174.600 -0.018 0.000 1.269 646 S CA 0.457 58.647 58.200 -0.016 0.000 0.976 646 S CB -1.692 61.494 63.200 -0.023 0.000 1.162 646 S HN 0.847 nan 8.310 nan 0.000 0.643 647 V N 2.687 122.587 119.914 -0.024 0.000 2.508 647 V HA 0.241 4.364 4.120 0.006 0.000 0.281 647 V C -1.749 174.344 176.094 -0.002 0.000 1.041 647 V CA -1.312 60.974 62.300 -0.022 0.000 1.016 647 V CB 0.781 32.583 31.823 -0.036 0.000 0.984 647 V HN 0.080 nan 8.190 nan 0.000 0.478 648 P HA 0.096 nan 4.420 nan 0.000 0.269 648 P C 1.023 178.329 177.300 0.011 0.000 1.209 648 P CA -0.074 63.030 63.100 0.007 0.000 0.776 648 P CB 0.718 32.420 31.700 0.004 0.000 0.876 649 V N 2.301 122.226 119.914 0.018 0.000 2.287 649 V HA -0.283 3.841 4.120 0.006 0.000 0.248 649 V C 2.283 178.387 176.094 0.017 0.000 1.053 649 V CA 2.361 64.675 62.300 0.023 0.000 1.027 649 V CB -1.177 30.663 31.823 0.029 0.000 0.646 649 V HN 0.625 nan 8.190 nan 0.000 0.447 650 E N 0.837 121.044 120.200 0.012 0.000 2.048 650 E HA -0.317 4.037 4.350 0.006 0.000 0.202 650 E C 2.098 178.701 176.600 0.004 0.000 1.021 650 E CA 2.110 58.514 56.400 0.007 0.000 0.825 650 E CB -0.321 29.381 29.700 0.004 0.000 0.756 650 E HN 0.426 nan 8.360 nan 0.000 0.454 651 K N -0.328 120.073 120.400 0.002 0.000 2.059 651 K HA -0.170 4.154 4.320 0.006 0.000 0.212 651 K C 2.024 178.623 176.600 -0.001 0.000 1.050 651 K CA 1.412 57.697 56.287 -0.003 0.000 0.927 651 K CB -0.650 31.845 32.500 -0.009 0.000 0.714 651 K HN 0.211 nan 8.250 nan 0.000 0.447 652 L N -0.159 121.068 121.223 0.006 0.000 2.046 652 L HA -0.131 4.212 4.340 0.006 0.000 0.208 652 L C 1.815 178.695 176.870 0.018 0.000 1.077 652 L CA 1.470 56.319 54.840 0.015 0.000 0.747 652 L CB -0.286 41.790 42.059 0.028 0.000 0.896 652 L HN 0.004 nan 8.230 nan 0.000 0.432 653 V N -0.929 118.995 119.914 0.016 0.000 2.453 653 V HA -0.212 3.912 4.120 0.006 0.000 0.247 653 V C 2.235 178.331 176.094 0.003 0.000 1.048 653 V CA 1.550 63.858 62.300 0.013 0.000 1.049 653 V CB -0.864 30.965 31.823 0.010 0.000 0.672 653 V HN 0.369 nan 8.190 nan 0.000 0.457 654 D N 0.936 121.336 120.400 -0.001 0.000 2.104 654 D HA -0.160 4.483 4.640 0.006 0.000 0.194 654 D C 2.254 178.546 176.300 -0.013 0.000 0.994 654 D CA 1.889 55.884 54.000 -0.007 0.000 0.830 654 D CB -0.291 40.504 40.800 -0.008 0.000 0.959 654 D HN 0.438 nan 8.370 nan 0.000 0.452 655 A N 0.843 123.655 122.820 -0.012 0.000 1.898 655 A HA -0.019 4.304 4.320 0.006 0.000 0.216 655 A C 2.314 179.880 177.584 -0.029 0.000 1.181 655 A CA 2.148 54.171 52.037 -0.024 0.000 0.620 655 A CB -0.717 18.274 19.000 -0.015 0.000 0.819 655 A HN 0.232 nan 8.150 nan 0.000 0.442 656 A N 0.050 122.866 122.820 -0.006 0.000 1.940 656 A HA -0.119 4.205 4.320 0.006 0.000 0.219 656 A C 2.073 179.650 177.584 -0.012 0.000 1.176 656 A CA 1.681 53.719 52.037 0.000 0.000 0.631 656 A CB -0.624 18.389 19.000 0.022 0.000 0.814 656 A HN 0.551 nan 8.150 nan 0.000 0.446 657 I N -1.357 119.205 120.570 -0.013 0.000 2.277 657 I HA -0.137 4.036 4.170 0.006 0.000 0.243 657 I C 2.524 178.627 176.117 -0.024 0.000 1.094 657 I CA 1.363 62.654 61.300 -0.014 0.000 1.393 657 I CB -0.366 37.628 38.000 -0.011 0.000 1.078 657 I HN 0.387 nan 8.210 nan 0.000 0.417 658 E N 1.501 121.681 120.200 -0.033 0.000 2.107 658 E HA -0.129 4.225 4.350 0.006 0.000 0.191 658 E C 2.276 178.841 176.600 -0.058 0.000 0.982 658 E CA 0.871 57.248 56.400 -0.039 0.000 0.809 658 E CB 0.089 29.766 29.700 -0.038 0.000 0.756 658 E HN 0.476 nan 8.360 nan 0.000 0.459 659 L N 0.466 121.636 121.223 -0.088 0.000 2.456 659 L HA -0.036 4.308 4.340 0.006 0.000 0.224 659 L C 1.222 178.043 176.870 -0.082 0.000 1.148 659 L CA 0.528 55.284 54.840 -0.141 0.000 0.825 659 L CB -0.327 41.585 42.059 -0.244 0.000 0.937 659 L HN 0.125 nan 8.230 nan 0.000 0.450 660 K N 0.534 120.907 120.400 -0.045 0.000 3.239 660 K HA -0.178 4.145 4.320 0.006 0.000 0.270 660 K C 0.126 176.720 176.600 -0.009 0.000 1.049 660 K CA 0.176 56.450 56.287 -0.021 0.000 0.769 660 K CB -0.856 31.635 32.500 -0.015 0.000 1.305 660 K HN 0.365 nan 8.250 nan 0.000 0.469 661 A N 0.689 123.505 122.820 -0.006 0.000 2.386 661 A HA 0.148 4.472 4.320 0.006 0.000 0.248 661 A C 0.753 178.354 177.584 0.029 0.000 1.082 661 A CA 0.043 52.091 52.037 0.018 0.000 0.789 661 A CB 0.346 19.362 19.000 0.027 0.000 1.025 661 A HN 0.415 nan 8.150 nan 0.000 0.490 662 D N -0.206 120.219 120.400 0.041 0.000 2.346 662 D HA 0.408 5.052 4.640 0.006 0.000 0.206 662 D C 0.404 176.731 176.300 0.045 0.000 1.001 662 D CA 1.673 55.693 54.000 0.033 0.000 0.871 662 D CB 0.450 41.266 40.800 0.026 0.000 0.943 662 D HN 0.806 nan 8.370 nan 0.000 0.518 663 A N -0.291 122.570 122.820 0.069 0.000 2.597 663 A HA 0.596 4.920 4.320 0.006 0.000 0.292 663 A C -1.668 175.988 177.584 0.120 0.000 1.057 663 A CA -0.649 51.450 52.037 0.103 0.000 0.674 663 A CB 0.766 19.836 19.000 0.117 0.000 1.278 663 A HN -0.012 nan 8.150 nan 0.000 0.416 664 I N 0.933 121.590 120.570 0.146 0.000 2.436 664 I HA 0.487 4.661 4.170 0.006 0.000 0.289 664 I C -1.147 175.067 176.117 0.160 0.000 1.010 664 I CA -0.496 60.885 61.300 0.135 0.000 1.098 664 I CB 1.785 39.852 38.000 0.112 0.000 1.266 664 I HN 0.489 nan 8.210 nan 0.000 0.434 665 L N 6.001 127.309 121.223 0.141 0.000 2.356 665 L HA 0.808 5.151 4.340 0.006 0.000 0.277 665 L C -0.214 176.723 176.870 0.111 0.000 0.996 665 L CA -0.486 54.431 54.840 0.129 0.000 0.822 665 L CB 1.885 44.008 42.059 0.107 0.000 1.256 665 L HN 0.664 nan 8.230 nan 0.000 0.413 666 A N 2.000 124.881 122.820 0.102 0.000 2.355 666 A HA 0.758 5.081 4.320 0.006 0.000 0.317 666 A C -0.610 177.022 177.584 0.081 0.000 1.094 666 A CA -0.491 51.600 52.037 0.090 0.000 0.764 666 A CB 1.922 20.970 19.000 0.080 0.000 1.230 666 A HN 0.521 nan 8.150 nan 0.000 0.448 667 S N 0.606 116.354 115.700 0.081 0.000 2.451 667 S HA 0.675 5.149 4.470 0.006 0.000 0.301 667 S C -0.420 174.215 174.600 0.059 0.000 1.116 667 S CA -0.127 58.114 58.200 0.068 0.000 1.093 667 S CB 1.039 64.288 63.200 0.081 0.000 1.017 667 S HN 1.037 nan 8.310 nan 0.000 0.482 668 T N 6.627 121.201 114.554 0.034 0.000 3.198 668 T HA 0.349 4.703 4.350 0.006 0.000 0.352 668 T C 0.724 175.413 174.700 -0.019 0.000 1.197 668 T CA -0.617 61.502 62.100 0.031 0.000 1.427 668 T CB -0.375 68.514 68.868 0.035 0.000 0.983 668 T HN 0.526 nan 8.240 nan 0.000 0.560 669 I N 2.852 123.422 120.570 -0.000 0.000 2.364 669 I HA 0.268 4.442 4.170 0.006 0.000 0.241 669 I C 1.457 177.506 176.117 -0.113 0.000 1.082 669 I CA 0.356 61.609 61.300 -0.078 0.000 1.401 669 I CB -0.688 37.267 38.000 -0.074 0.000 1.126 669 I HN 0.559 nan 8.210 nan 0.000 0.429 670 I N 2.126 122.706 120.570 0.017 0.000 2.752 670 I HA -0.162 4.012 4.170 0.006 0.000 0.289 670 I C 1.364 177.504 176.117 0.039 0.000 1.197 670 I CA 0.534 61.866 61.300 0.053 0.000 1.432 670 I CB 0.688 38.779 38.000 0.152 0.000 1.359 670 I HN 0.266 nan 8.210 nan 0.000 0.571 671 S N 3.556 119.278 115.700 0.037 0.000 2.632 671 S HA 0.025 4.499 4.470 0.006 0.000 0.237 671 S C 0.423 175.211 174.600 0.313 0.000 1.037 671 S CA -0.409 57.834 58.200 0.073 0.000 1.009 671 S CB -0.251 62.737 63.200 -0.353 0.000 0.974 671 S HN 0.742 nan 8.310 nan 0.000 0.544 672 H N 2.191 121.339 119.070 0.130 0.000 3.046 672 H HA 0.347 4.906 4.556 0.005 0.000 0.303 672 H C 0.466 175.860 175.328 0.110 0.000 1.002 672 H CA 1.686 57.799 56.048 0.107 0.000 1.460 672 H CB -0.060 29.744 29.762 0.070 0.000 1.493 672 H HN 0.321 nan 8.280 nan 0.000 0.559 673 D N 2.817 123.016 120.400 -0.335 0.000 2.839 673 D HA -0.204 4.439 4.640 0.006 0.000 0.194 673 D C -0.352 175.888 176.300 -0.101 0.000 0.988 673 D CA 1.270 55.085 54.000 -0.309 0.000 1.009 673 D CB -1.199 39.324 40.800 -0.462 0.000 1.067 673 D HN 0.922 nan 8.370 nan 0.000 0.444 674 D N -1.599 118.796 120.400 -0.008 0.000 2.907 674 D HA -0.229 4.414 4.640 0.006 0.000 0.226 674 D C 1.069 177.305 176.300 -0.106 0.000 1.141 674 D CA 0.917 54.854 54.000 -0.104 0.000 0.779 674 D CB -1.531 39.228 40.800 -0.067 0.000 1.095 674 D HN 0.544 nan 8.370 nan 0.000 0.430 675 I N 0.252 120.827 120.570 0.009 0.000 2.700 675 I HA -0.237 3.937 4.170 0.006 0.000 0.261 675 I C 2.185 178.323 176.117 0.035 0.000 1.219 675 I CA 1.747 63.066 61.300 0.033 0.000 1.463 675 I CB -0.111 37.932 38.000 0.072 0.000 1.092 675 I HN 0.388 nan 8.210 nan 0.000 0.452 676 H N -1.553 117.494 119.070 -0.039 0.000 2.470 676 H HA -0.079 4.480 4.556 0.006 0.000 0.289 676 H C 1.308 176.494 175.328 -0.236 0.000 1.033 676 H CA 1.503 57.454 56.048 -0.161 0.000 1.331 676 H CB -0.937 28.668 29.762 -0.262 0.000 1.414 676 H HN 0.442 nan 8.280 nan 0.000 0.545 677 Y N 1.268 121.394 120.300 -0.289 0.000 2.503 677 Y HA 0.184 4.738 4.550 0.005 0.000 0.277 677 Y C 2.544 178.390 175.900 -0.090 0.000 1.102 677 Y CA -0.080 57.923 58.100 -0.162 0.000 1.261 677 Y CB 0.298 38.626 38.460 -0.220 0.000 1.096 677 Y HN 0.011 nan 8.280 nan 0.000 0.546 678 K N 0.384 120.811 120.400 0.045 0.000 2.032 678 K HA -0.175 4.148 4.320 0.006 0.000 0.209 678 K C 1.446 178.071 176.600 0.042 0.000 1.048 678 K CA 1.664 57.971 56.287 0.034 0.000 0.927 678 K CB -0.127 32.380 32.500 0.012 0.000 0.712 678 K HN 0.214 nan 8.250 nan 0.000 0.441 679 N N 0.282 119.005 118.700 0.038 0.000 2.459 679 N HA -0.048 4.695 4.740 0.006 0.000 0.181 679 N C 1.474 177.019 175.510 0.058 0.000 1.046 679 N CA 0.929 54.006 53.050 0.045 0.000 0.904 679 N CB 0.070 38.583 38.487 0.043 0.000 0.964 679 N HN 0.279 nan 8.380 nan 0.000 0.444 680 M N -0.031 119.607 119.600 0.063 0.000 2.288 680 M HA 0.008 4.492 4.480 0.006 0.000 0.266 680 M C 1.898 178.261 176.300 0.105 0.000 1.072 680 M CA 0.958 56.306 55.300 0.080 0.000 1.132 680 M CB -0.034 32.614 32.600 0.079 0.000 1.386 680 M HN -0.041 nan 8.290 nan 0.000 0.432 681 K N 0.566 121.022 120.400 0.093 0.000 2.103 681 K HA -0.070 4.254 4.320 0.006 0.000 0.204 681 K C 2.109 178.786 176.600 0.128 0.000 1.052 681 K CA 1.161 57.513 56.287 0.109 0.000 0.945 681 K CB 0.077 32.618 32.500 0.068 0.000 0.722 681 K HN 0.237 nan 8.250 nan 0.000 0.443 682 R N 0.647 121.198 120.500 0.085 0.000 2.081 682 R HA -0.062 4.282 4.340 0.006 0.000 0.235 682 R C 2.297 178.635 176.300 0.064 0.000 1.131 682 R CA 1.100 57.239 56.100 0.064 0.000 0.960 682 R CB -0.253 30.074 30.300 0.045 0.000 0.856 682 R HN 0.138 nan 8.270 nan 0.000 0.436 683 I N 0.375 120.991 120.570 0.078 0.000 2.118 683 I HA -0.333 3.841 4.170 0.006 0.000 0.241 683 I C 2.427 178.597 176.117 0.088 0.000 1.070 683 I CA 1.982 63.328 61.300 0.078 0.000 1.327 683 I CB -0.878 37.176 38.000 0.090 0.000 1.034 683 I HN 0.296 nan 8.210 nan 0.000 0.405 684 H N 1.258 120.351 119.070 0.039 0.000 2.267 684 H HA -0.200 4.360 4.556 0.006 0.000 0.297 684 H C 2.159 177.505 175.328 0.030 0.000 1.080 684 H CA 2.405 58.476 56.048 0.038 0.000 1.278 684 H CB -0.164 29.620 29.762 0.036 0.000 1.365 684 H HN 0.339 nan 8.280 nan 0.000 0.489 685 E N 0.162 120.313 120.200 -0.080 0.000 2.058 685 E HA -0.176 4.177 4.350 0.006 0.000 0.194 685 E C 2.540 179.069 176.600 -0.119 0.000 0.997 685 E CA 1.244 57.565 56.400 -0.131 0.000 0.801 685 E CB -0.176 29.539 29.700 0.025 0.000 0.746 685 E HN 0.465 nan 8.360 nan 0.000 0.450 686 L N 0.540 121.730 121.223 -0.054 0.000 2.081 686 L HA -0.235 4.109 4.340 0.006 0.000 0.212 686 L C 2.486 179.322 176.870 -0.057 0.000 1.080 686 L CA 1.078 55.895 54.840 -0.038 0.000 0.754 686 L CB -0.379 41.674 42.059 -0.009 0.000 0.893 686 L HN 0.170 nan 8.230 nan 0.000 0.433 687 A N -0.952 121.819 122.820 -0.083 0.000 2.066 687 A HA -0.057 4.266 4.320 0.006 0.000 0.218 687 A C 2.160 179.684 177.584 -0.101 0.000 1.157 687 A CA 1.295 53.287 52.037 -0.074 0.000 0.670 687 A CB -0.368 18.598 19.000 -0.055 0.000 0.804 687 A HN 0.241 nan 8.150 nan 0.000 0.453 688 V N -0.398 119.415 119.914 -0.168 0.000 2.300 688 V HA -0.133 3.991 4.120 0.006 0.000 0.241 688 V C 2.269 178.317 176.094 -0.077 0.000 1.034 688 V CA 1.552 63.768 62.300 -0.140 0.000 1.021 688 V CB -0.866 30.833 31.823 -0.206 0.000 0.662 688 V HN 0.681 nan 8.190 nan 0.000 0.458 689 E N 0.338 120.495 120.200 -0.071 0.000 2.455 689 E HA -0.206 4.147 4.350 0.006 0.000 0.202 689 E C 1.489 178.072 176.600 -0.030 0.000 1.045 689 E CA 0.724 57.100 56.400 -0.040 0.000 0.872 689 E CB 0.146 29.827 29.700 -0.032 0.000 0.792 689 E HN 0.436 nan 8.360 nan 0.000 0.542 690 K N -1.144 119.236 120.400 -0.033 0.000 2.358 690 K HA 0.104 4.428 4.320 0.006 0.000 0.200 690 K C 0.966 177.554 176.600 -0.020 0.000 1.030 690 K CA 0.637 56.910 56.287 -0.023 0.000 1.097 690 K CB 1.313 33.801 32.500 -0.020 0.000 0.862 690 K HN 0.233 nan 8.250 nan 0.000 0.534 691 G N 2.369 111.154 108.800 -0.025 0.000 2.176 691 G HA2 -0.265 3.698 3.960 0.006 0.000 0.253 691 G HA3 -0.265 3.698 3.960 0.006 0.000 0.253 691 G C 0.734 175.625 174.900 -0.015 0.000 0.979 691 G CA 0.585 45.674 45.100 -0.019 0.000 0.641 691 G HN 0.407 nan 8.290 nan 0.000 0.530 692 I N -2.827 117.732 120.570 -0.018 0.000 4.082 692 I HA 0.488 4.662 4.170 0.006 0.000 0.337 692 I C 1.924 178.038 176.117 -0.005 0.000 1.352 692 I CA 0.207 61.502 61.300 -0.008 0.000 1.097 692 I CB 0.265 38.262 38.000 -0.004 0.000 1.048 692 I HN -0.010 nan 8.210 nan 0.000 0.393 693 R N 3.130 123.617 120.500 -0.021 0.000 2.316 693 R HA -0.177 4.166 4.340 0.006 0.000 0.232 693 R C 1.068 177.381 176.300 0.022 0.000 1.137 693 R CA 2.016 58.105 56.100 -0.018 0.000 1.012 693 R CB -0.743 29.509 30.300 -0.080 0.000 0.859 693 R HN 0.756 nan 8.270 nan 0.000 0.474 694 D N -2.543 117.869 120.400 0.019 0.000 2.513 694 D HA 0.048 4.692 4.640 0.006 0.000 0.222 694 D C 0.207 176.521 176.300 0.023 0.000 1.210 694 D CA -0.236 53.782 54.000 0.030 0.000 0.825 694 D CB 0.260 41.078 40.800 0.029 0.000 1.037 694 D HN 0.067 nan 8.370 nan 0.000 0.506 695 K N 0.326 120.737 120.400 0.019 0.000 2.478 695 K HA 0.369 4.693 4.320 0.006 0.000 0.205 695 K C -0.696 175.917 176.600 0.021 0.000 1.033 695 K CA -0.079 56.217 56.287 0.015 0.000 1.091 695 K CB 0.881 33.386 32.500 0.009 0.000 0.844 695 K HN 0.043 nan 8.250 nan 0.000 0.507 696 I N 0.511 121.101 120.570 0.033 0.000 2.692 696 I HA 0.284 4.458 4.170 0.006 0.000 0.293 696 I C -1.063 175.099 176.117 0.075 0.000 1.200 696 I CA -0.551 60.777 61.300 0.047 0.000 1.036 696 I CB 2.055 40.082 38.000 0.045 0.000 1.258 696 I HN -0.071 nan 8.210 nan 0.000 0.421 697 M N 6.336 125.991 119.600 0.092 0.000 2.277 697 M HA 0.550 5.033 4.480 0.006 0.000 0.350 697 M C -0.940 175.502 176.300 0.236 0.000 1.180 697 M CA -0.216 55.182 55.300 0.163 0.000 1.103 697 M CB 1.133 33.804 32.600 0.117 0.000 1.577 697 M HN 0.271 nan 8.290 nan 0.000 0.459 698 I N 1.822 122.563 120.570 0.286 0.000 2.418 698 I HA 0.557 4.731 4.170 0.006 0.000 0.287 698 I C 0.080 176.337 176.117 0.234 0.000 1.008 698 I CA -0.620 60.825 61.300 0.240 0.000 1.104 698 I CB 1.833 39.941 38.000 0.181 0.000 1.264 698 I HN 0.763 nan 8.210 nan 0.000 0.438 699 G N 5.284 114.204 108.800 0.200 0.000 2.609 699 G HA2 0.621 4.584 3.960 0.006 0.000 0.308 699 G HA3 0.621 4.584 3.960 0.006 0.000 0.308 699 G C -1.073 173.907 174.900 0.133 0.000 1.369 699 G CA -0.262 44.886 45.100 0.080 0.000 0.958 699 G HN 0.651 nan 8.290 nan 0.000 0.499 700 C N 0.477 119.850 119.300 0.122 0.000 2.719 700 C HA 1.067 5.531 4.460 0.006 0.000 0.327 700 C C 0.661 175.759 174.990 0.180 0.000 1.238 700 C CA -0.342 58.750 59.018 0.123 0.000 1.727 700 C CB 1.594 29.374 27.740 0.066 0.000 2.256 700 C HN 1.120 nan 8.230 nan 0.000 0.489 701 G N -0.570 108.307 108.800 0.128 0.000 2.698 701 G HA2 0.814 4.778 3.960 0.006 0.000 0.293 701 G HA3 0.814 4.778 3.960 0.006 0.000 0.293 701 G C -1.038 173.887 174.900 0.041 0.000 1.437 701 G CA 0.153 45.330 45.100 0.129 0.000 0.852 701 G HN 1.396 nan 8.290 nan 0.000 0.499 702 G N -1.498 107.307 108.800 0.008 0.000 2.451 702 G HA2 0.515 4.478 3.960 0.006 0.000 0.292 702 G HA3 0.515 4.478 3.960 0.006 0.000 0.292 702 G C 0.567 175.425 174.900 -0.070 0.000 1.427 702 G CA 0.680 45.750 45.100 -0.051 0.000 0.792 702 G HN 0.824 nan 8.290 nan 0.000 0.498 703 T N 0.578 115.068 114.554 -0.106 0.000 2.720 703 T HA -0.113 4.241 4.350 0.006 0.000 0.268 703 T C 2.049 176.685 174.700 -0.107 0.000 1.037 703 T CA 1.800 63.842 62.100 -0.096 0.000 1.144 703 T CB -0.070 68.728 68.868 -0.116 0.000 0.864 703 T HN 0.375 nan 8.240 nan 0.000 0.444 704 Q N 0.585 120.266 119.800 -0.199 0.000 2.402 704 Q HA 0.231 4.575 4.340 0.006 0.000 0.206 704 Q C 0.805 176.765 176.000 -0.067 0.000 0.919 704 Q CA 0.019 55.715 55.803 -0.177 0.000 0.923 704 Q CB -0.512 28.017 28.738 -0.348 0.000 1.048 704 Q HN 0.351 nan 8.270 nan 0.000 0.515 705 V N 2.781 122.633 119.914 -0.104 0.000 2.625 705 V HA -0.074 4.049 4.120 0.006 0.000 0.305 705 V C 0.426 176.570 176.094 0.083 0.000 1.055 705 V CA 0.913 63.203 62.300 -0.016 0.000 1.209 705 V CB 0.213 32.011 31.823 -0.042 0.000 0.877 705 V HN 0.120 nan 8.190 nan 0.000 0.489 706 T N 8.920 123.595 114.554 0.202 0.000 2.770 706 T HA 0.281 4.634 4.350 0.006 0.000 0.297 706 T C -1.593 173.148 174.700 0.068 0.000 0.997 706 T CA -1.020 61.149 62.100 0.115 0.000 0.949 706 T CB 1.695 70.635 68.868 0.121 0.000 0.941 706 T HN 0.497 nan 8.240 nan 0.000 0.457 707 P HA -0.160 nan 4.420 nan 0.000 0.218 707 P C 1.072 178.322 177.300 -0.083 0.000 1.150 707 P CA 1.192 64.220 63.100 -0.120 0.000 0.841 707 P CB 0.337 31.921 31.700 -0.195 0.000 0.784 708 E N -1.212 118.959 120.200 -0.049 0.000 2.112 708 E HA -0.073 4.281 4.350 0.006 0.000 0.190 708 E C 1.981 178.555 176.600 -0.043 0.000 0.979 708 E CA 0.680 57.051 56.400 -0.050 0.000 0.814 708 E CB -1.029 28.643 29.700 -0.046 0.000 0.762 708 E HN 0.038 nan 8.360 nan 0.000 0.460 709 V N 0.846 120.748 119.914 -0.019 0.000 2.427 709 V HA -0.189 3.935 4.120 0.006 0.000 0.248 709 V C 2.111 178.205 176.094 0.001 0.000 1.051 709 V CA 1.813 64.066 62.300 -0.079 0.000 1.048 709 V CB -0.664 31.055 31.823 -0.173 0.000 0.666 709 V HN 0.333 nan 8.190 nan 0.000 0.456 710 A N -0.782 122.128 122.820 0.150 0.000 2.081 710 A HA -0.013 4.311 4.320 0.006 0.000 0.214 710 A C 2.268 179.867 177.584 0.025 0.000 1.158 710 A CA 1.107 53.248 52.037 0.174 0.000 0.724 710 A CB -0.341 18.755 19.000 0.160 0.000 0.826 710 A HN 0.298 nan 8.150 nan 0.000 0.463 711 V N -0.108 119.787 119.914 -0.031 0.000 2.867 711 V HA -0.125 3.998 4.120 0.006 0.000 0.260 711 V C 1.739 177.792 176.094 -0.067 0.000 1.099 711 V CA 1.809 64.073 62.300 -0.060 0.000 1.122 711 V CB -0.561 31.219 31.823 -0.070 0.000 0.708 711 V HN 0.361 nan 8.190 nan 0.000 0.490 712 K N -0.242 120.121 120.400 -0.062 0.000 2.459 712 K HA 0.097 4.421 4.320 0.006 0.000 0.193 712 K C 1.762 178.302 176.600 -0.099 0.000 1.030 712 K CA 0.462 56.698 56.287 -0.085 0.000 1.026 712 K CB 0.013 32.455 32.500 -0.097 0.000 0.809 712 K HN 0.525 nan 8.250 nan 0.000 0.504 713 Q N -0.864 118.889 119.800 -0.078 0.000 2.392 713 Q HA 0.153 4.496 4.340 0.006 0.000 0.203 713 Q C 1.041 176.901 176.000 -0.234 0.000 0.917 713 Q CA 0.729 56.485 55.803 -0.079 0.000 0.939 713 Q CB 0.905 29.658 28.738 0.026 0.000 1.063 713 Q HN 0.404 nan 8.270 nan 0.000 0.516 714 G N 0.597 109.192 108.800 -0.342 0.000 2.296 714 G HA2 -0.219 3.745 3.960 0.006 0.000 0.188 714 G HA3 -0.219 3.745 3.960 0.006 0.000 0.188 714 G C 0.129 174.863 174.900 -0.276 0.000 1.000 714 G CA 0.017 44.636 45.100 -0.802 0.000 0.672 714 G HN 0.331 nan 8.290 nan 0.000 0.483 715 V N -0.659 119.213 119.914 -0.070 0.000 2.465 715 V HA 0.594 4.717 4.120 0.006 0.000 0.279 715 V C 1.237 177.350 176.094 0.033 0.000 1.045 715 V CA 0.295 62.629 62.300 0.057 0.000 0.938 715 V CB 1.435 33.301 31.823 0.072 0.000 0.986 715 V HN 0.124 nan 8.190 nan 0.000 0.467 716 D N 3.850 124.311 120.400 0.103 0.000 2.239 716 D HA -0.034 4.609 4.640 0.006 0.000 0.202 716 D C 0.782 177.086 176.300 0.007 0.000 0.993 716 D CA 2.218 56.297 54.000 0.132 0.000 0.874 716 D CB 0.244 41.246 40.800 0.337 0.000 0.922 716 D HN 1.112 nan 8.370 nan 0.000 0.464 717 A N -0.697 122.027 122.820 -0.160 0.000 2.590 717 A HA 0.585 4.909 4.320 0.006 0.000 0.294 717 A C -0.511 176.806 177.584 -0.445 0.000 1.046 717 A CA -0.205 51.583 52.037 -0.415 0.000 0.684 717 A CB 1.518 20.053 19.000 -0.775 0.000 1.279 717 A HN 0.108 nan 8.150 nan 0.000 0.415 718 G N -0.433 108.034 108.800 -0.556 0.000 2.533 718 G HA2 0.769 4.733 3.960 0.006 0.000 0.304 718 G HA3 0.769 4.733 3.960 0.006 0.000 0.304 718 G C -1.484 173.017 174.900 -0.665 0.000 1.263 718 G CA -0.601 44.273 45.100 -0.377 0.000 0.964 718 G HN 0.578 nan 8.290 nan 0.000 0.479 719 F N -0.088 119.812 119.950 -0.083 0.000 2.561 719 F HA 0.666 5.196 4.527 0.006 0.000 0.313 719 F C 0.731 176.503 175.800 -0.047 0.000 1.126 719 F CA -0.369 57.589 58.000 -0.069 0.000 0.918 719 F CB 2.643 41.608 39.000 -0.058 0.000 1.199 719 F HN 0.774 nan 8.300 nan 0.000 0.444 720 G N 1.659 110.527 108.800 0.114 0.000 3.122 720 G HA2 0.491 4.455 3.960 0.006 0.000 0.180 720 G HA3 0.491 4.455 3.960 0.006 0.000 0.180 720 G C -0.571 174.362 174.900 0.055 0.000 1.279 720 G CA -1.040 44.092 45.100 0.053 0.000 0.987 720 G HN 0.471 nan 8.290 nan 0.000 0.589 721 R N -0.496 120.020 120.500 0.026 0.000 2.756 721 R HA 0.339 4.683 4.340 0.006 0.000 0.264 721 R C 1.045 177.373 176.300 0.046 0.000 1.026 721 R CA 1.212 57.328 56.100 0.026 0.000 1.121 721 R CB 0.060 30.366 30.300 0.011 0.000 0.999 721 R HN 1.165 nan 8.270 nan 0.000 0.449 722 G N 1.865 110.697 108.800 0.053 0.000 2.359 722 G HA2 -0.267 3.696 3.960 0.006 0.000 0.298 722 G HA3 -0.267 3.696 3.960 0.006 0.000 0.298 722 G C -0.574 174.417 174.900 0.151 0.000 1.030 722 G CA 0.317 45.464 45.100 0.078 0.000 1.149 722 G HN 0.453 nan 8.290 nan 0.000 0.512 723 S N 0.277 116.076 115.700 0.165 0.000 2.472 723 S HA 0.682 5.155 4.470 0.006 0.000 0.303 723 S C 0.295 175.021 174.600 0.210 0.000 1.099 723 S CA -0.835 57.547 58.200 0.302 0.000 1.077 723 S CB 1.927 65.263 63.200 0.228 0.000 1.031 723 S HN 0.592 nan 8.310 nan 0.000 0.487 724 K N 0.701 121.218 120.400 0.195 0.000 2.295 724 K HA 0.525 4.849 4.320 0.006 0.000 0.239 724 K C 1.387 177.939 176.600 -0.080 0.000 0.991 724 K CA -1.138 55.117 56.287 -0.054 0.000 0.845 724 K CB 0.811 33.209 32.500 -0.170 0.000 1.197 724 K HN 0.598 nan 8.250 nan 0.000 0.441 725 G N 0.953 109.738 108.800 -0.024 0.000 2.450 725 G HA2 -0.253 3.710 3.960 0.006 0.000 0.220 725 G HA3 -0.253 3.710 3.960 0.006 0.000 0.220 725 G C 1.324 176.303 174.900 0.133 0.000 1.130 725 G CA 0.883 46.015 45.100 0.053 0.000 0.760 725 G HN 0.608 nan 8.290 nan 0.000 0.557 726 I N 0.520 121.146 120.570 0.092 0.000 2.194 726 I HA -0.208 3.966 4.170 0.006 0.000 0.246 726 I C 2.496 178.593 176.117 -0.033 0.000 1.093 726 I CA 1.758 63.055 61.300 -0.004 0.000 1.355 726 I CB -0.438 37.522 38.000 -0.067 0.000 1.046 726 I HN 0.399 nan 8.210 nan 0.000 0.413 727 H N -1.028 118.093 119.070 0.084 0.000 2.319 727 H HA -0.141 4.419 4.556 0.006 0.000 0.299 727 H C 2.213 177.641 175.328 0.167 0.000 1.092 727 H CA 1.785 57.920 56.048 0.146 0.000 1.302 727 H CB -0.340 29.540 29.762 0.197 0.000 1.373 727 H HN 0.270 nan 8.280 nan 0.000 0.497 728 V N 0.941 120.913 119.914 0.097 0.000 2.270 728 V HA -0.238 3.886 4.120 0.006 0.000 0.245 728 V C 2.692 178.903 176.094 0.194 0.000 1.043 728 V CA 1.554 63.852 62.300 -0.003 0.000 1.014 728 V CB -1.024 30.668 31.823 -0.218 0.000 0.645 728 V HN 0.554 nan 8.190 nan 0.000 0.447 729 A N -0.127 122.751 122.820 0.096 0.000 1.978 729 A HA -0.238 4.086 4.320 0.006 0.000 0.220 729 A C 2.365 179.940 177.584 -0.013 0.000 1.170 729 A CA 2.603 54.652 52.037 0.021 0.000 0.636 729 A CB -0.950 17.972 19.000 -0.130 0.000 0.810 729 A HN 0.528 nan 8.150 nan 0.000 0.448 730 T N -0.654 113.921 114.554 0.035 0.000 2.612 730 T HA -0.116 4.238 4.350 0.006 0.000 0.259 730 T C 1.584 176.355 174.700 0.118 0.000 1.065 730 T CA 1.561 63.694 62.100 0.054 0.000 1.167 730 T CB -0.548 68.383 68.868 0.105 0.000 0.863 730 T HN 0.594 nan 8.240 nan 0.000 0.407 731 F N 2.035 122.060 119.950 0.125 0.000 2.063 731 F HA -0.261 4.270 4.527 0.007 0.000 0.297 731 F C 1.897 177.758 175.800 0.102 0.000 1.099 731 F CA 1.468 59.558 58.000 0.150 0.000 1.220 731 F CB -0.914 38.272 39.000 0.309 0.000 0.972 731 F HN 0.098 nan 8.300 nan 0.000 0.487 732 L N -0.144 120.869 121.223 -0.351 0.000 1.955 732 L HA -0.235 4.109 4.340 0.006 0.000 0.213 732 L C 2.730 179.424 176.870 -0.293 0.000 1.072 732 L CA 1.831 56.394 54.840 -0.461 0.000 0.755 732 L CB -1.050 40.945 42.059 -0.107 0.000 0.888 732 L HN 0.317 nan 8.230 nan 0.000 0.432 733 V N -0.792 119.032 119.914 -0.150 0.000 2.515 733 V HA -0.269 3.854 4.120 0.006 0.000 0.250 733 V C 2.470 178.502 176.094 -0.104 0.000 1.058 733 V CA 1.775 64.011 62.300 -0.106 0.000 1.064 733 V CB -0.185 31.592 31.823 -0.076 0.000 0.675 733 V HN 0.400 nan 8.190 nan 0.000 0.461 734 K N 0.380 120.719 120.400 -0.101 0.000 1.965 734 K HA -0.187 4.137 4.320 0.006 0.000 0.214 734 K C 2.157 178.703 176.600 -0.091 0.000 1.042 734 K CA 1.945 58.192 56.287 -0.067 0.000 0.950 734 K CB -0.359 32.130 32.500 -0.018 0.000 0.733 734 K HN 0.386 nan 8.250 nan 0.000 0.441 735 K N 1.372 121.683 120.400 -0.148 0.000 2.589 735 K HA -0.142 4.182 4.320 0.006 0.000 0.195 735 K C 1.698 178.205 176.600 -0.155 0.000 1.040 735 K CA 1.069 57.267 56.287 -0.147 0.000 0.950 735 K CB -0.073 32.304 32.500 -0.206 0.000 0.781 735 K HN 0.064 nan 8.250 nan 0.000 0.486 736 R N 0.023 120.428 120.500 -0.157 0.000 2.100 736 R HA 0.007 4.350 4.340 0.006 0.000 0.220 736 R C 1.636 177.900 176.300 -0.060 0.000 1.091 736 R CA 1.026 57.062 56.100 -0.106 0.000 0.986 736 R CB 0.080 30.319 30.300 -0.102 0.000 0.888 736 R HN 0.193 nan 8.270 nan 0.000 0.444 737 R N 0.524 120.993 120.500 -0.052 0.000 2.093 737 R HA -0.032 4.311 4.340 0.006 0.000 0.224 737 R C 1.305 177.592 176.300 -0.021 0.000 1.101 737 R CA 0.853 56.935 56.100 -0.031 0.000 0.979 737 R CB -0.242 30.042 30.300 -0.027 0.000 0.877 737 R HN 0.227 nan 8.270 nan 0.000 0.441 738 E N 0.956 121.143 120.200 -0.021 0.000 3.265 738 E HA -0.136 4.217 4.350 0.006 0.000 0.262 738 E C 0.443 177.040 176.600 -0.004 0.000 1.480 738 E CA 0.467 56.863 56.400 -0.008 0.000 1.548 738 E CB -0.044 29.655 29.700 -0.001 0.000 1.330 738 E HN 0.317 nan 8.360 nan 0.000 0.431 739 M N -1.152 118.444 119.600 -0.007 0.000 1.705 739 M HA 0.032 4.515 4.480 0.006 0.000 0.374 739 M C 0.461 176.758 176.300 -0.004 0.000 0.836 739 M CA 0.191 55.488 55.300 -0.004 0.000 1.170 739 M CB 0.581 33.175 32.600 -0.009 0.000 2.362 739 M HN 0.135 nan 8.290 nan 0.000 0.884 740 R N 0.000 120.495 120.500 -0.008 0.000 2.786 740 R HA 0.000 4.344 4.340 0.006 0.000 0.208 740 R CA 0.000 56.096 56.100 -0.007 0.000 0.921 740 R CB 0.000 30.294 30.300 -0.010 0.000 0.687 740 R HN 0.000 nan 8.270 nan 0.000 0.535