REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3kow_1_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 0.000 176.879 176.870 0.015 0.000 1.165 5 L CA 0.000 54.849 54.840 0.014 0.000 0.813 5 L CB 0.000 42.069 42.059 0.016 0.000 0.961 6 Q N 1.316 121.125 119.800 0.015 0.000 0.665 6 Q HA -0.120 4.224 4.340 0.007 0.000 0.258 6 Q C -0.440 175.576 176.000 0.025 0.000 1.083 6 Q CA 0.392 56.206 55.803 0.018 0.000 0.520 6 Q CB -0.161 28.585 28.738 0.014 0.000 5.031 6 Q HN 0.486 nan 8.270 nan 0.000 0.325 7 L N 0.931 122.173 121.223 0.032 0.000 3.222 7 L HA -0.200 4.144 4.340 0.007 0.000 0.700 7 L C -0.550 176.358 176.870 0.064 0.000 1.229 7 L CA 0.888 55.759 54.840 0.051 0.000 1.229 7 L CB -0.711 41.383 42.059 0.060 0.000 1.842 7 L HN 0.541 nan 8.230 nan 0.000 0.905 8 R N 0.863 121.395 120.500 0.053 0.000 2.312 8 R HA 0.330 4.674 4.340 0.007 0.000 0.311 8 R C 1.255 177.596 176.300 0.068 0.000 1.004 8 R CA 0.066 56.199 56.100 0.054 0.000 0.902 8 R CB 1.662 31.980 30.300 0.030 0.000 1.073 8 R HN 0.362 nan 8.270 nan 0.000 0.457 9 V N 0.562 120.539 119.914 0.105 0.000 3.383 9 V HA -0.132 3.992 4.120 0.007 0.000 0.272 9 V C 0.655 176.745 176.094 -0.007 0.000 1.181 9 V CA 1.658 64.040 62.300 0.137 0.000 1.171 9 V CB -0.693 31.303 31.823 0.289 0.000 0.800 9 V HN 0.890 nan 8.190 nan 0.000 0.515 10 N N -1.017 117.676 118.700 -0.012 0.000 2.238 10 N HA 0.217 4.961 4.740 0.007 0.000 0.235 10 N C -0.008 175.475 175.510 -0.044 0.000 1.209 10 N CA -0.265 52.756 53.050 -0.048 0.000 0.879 10 N CB 0.166 38.636 38.487 -0.029 0.000 1.136 10 N HN 0.672 nan 8.380 nan 0.000 0.517 11 E N 0.706 120.887 120.200 -0.032 0.000 2.221 11 E HA 0.315 4.669 4.350 0.007 0.000 0.268 11 E C -0.548 176.028 176.600 -0.039 0.000 0.933 11 E CA -0.653 55.731 56.400 -0.027 0.000 0.809 11 E CB 2.127 31.822 29.700 -0.007 0.000 1.190 11 E HN 0.122 nan 8.360 nan 0.000 0.406 12 K N 1.223 121.601 120.400 -0.037 0.000 2.120 12 K HA 0.276 4.600 4.320 0.007 0.000 0.245 12 K C 0.102 176.687 176.600 -0.024 0.000 1.024 12 K CA -0.420 55.842 56.287 -0.042 0.000 0.906 12 K CB 0.571 33.048 32.500 -0.039 0.000 1.051 12 K HN 0.322 nan 8.250 nan 0.000 0.491 13 L N 1.411 122.620 121.223 -0.024 0.000 2.426 13 L HA -0.002 4.342 4.340 0.007 0.000 0.271 13 L C 0.395 177.255 176.870 -0.016 0.000 1.169 13 L CA -0.010 54.822 54.840 -0.013 0.000 0.836 13 L CB 0.437 42.489 42.059 -0.011 0.000 1.112 13 L HN 0.527 nan 8.230 nan 0.000 0.465 14 D N 2.791 123.184 120.400 -0.013 0.000 2.522 14 D HA 0.031 4.675 4.640 0.007 0.000 0.218 14 D C 0.928 177.217 176.300 -0.019 0.000 1.149 14 D CA 0.001 53.993 54.000 -0.014 0.000 0.981 14 D CB 1.119 41.914 40.800 -0.009 0.000 1.041 14 D HN 0.329 nan 8.370 nan 0.000 0.518 15 V N 3.745 123.641 119.914 -0.029 0.000 2.317 15 V HA -0.288 3.836 4.120 0.007 0.000 0.251 15 V C 2.060 178.135 176.094 -0.030 0.000 1.065 15 V CA 2.721 64.996 62.300 -0.041 0.000 1.049 15 V CB -0.107 31.672 31.823 -0.073 0.000 0.651 15 V HN 0.553 nan 8.190 nan 0.000 0.450 16 E N 0.875 121.060 120.200 -0.025 0.000 2.038 16 E HA -0.317 4.037 4.350 0.007 0.000 0.195 16 E C 1.924 178.522 176.600 -0.003 0.000 1.000 16 E CA 2.336 58.729 56.400 -0.012 0.000 0.803 16 E CB -0.592 29.102 29.700 -0.010 0.000 0.750 16 E HN 0.794 nan 8.360 nan 0.000 0.448 17 N N -0.867 117.830 118.700 -0.006 0.000 2.515 17 N HA 0.010 4.754 4.740 0.007 0.000 0.185 17 N C 1.255 176.761 175.510 -0.008 0.000 1.109 17 N CA 0.565 53.613 53.050 -0.004 0.000 0.903 17 N CB 0.078 38.562 38.487 -0.004 0.000 0.969 17 N HN 0.281 nan 8.380 nan 0.000 0.450 18 I N -0.377 120.185 120.570 -0.013 0.000 2.703 18 I HA -0.087 4.087 4.170 0.007 0.000 0.259 18 I C 1.188 177.296 176.117 -0.014 0.000 1.151 18 I CA 0.513 61.797 61.300 -0.025 0.000 1.470 18 I CB 0.005 37.986 38.000 -0.032 0.000 1.112 18 I HN 0.186 nan 8.210 nan 0.000 0.437 19 L N 0.758 121.992 121.223 0.018 0.000 2.551 19 L HA -0.036 4.308 4.340 0.007 0.000 0.228 19 L C 0.701 177.596 176.870 0.042 0.000 1.153 19 L CA 0.616 55.490 54.840 0.057 0.000 0.851 19 L CB -0.524 41.586 42.059 0.085 0.000 0.959 19 L HN 0.083 nan 8.230 nan 0.000 0.451 20 K N 1.164 121.575 120.400 0.017 0.000 2.276 20 K HA 0.130 4.454 4.320 0.007 0.000 0.283 20 K C -0.492 176.108 176.600 -0.001 0.000 1.044 20 K CA -0.364 55.931 56.287 0.013 0.000 0.944 20 K CB 0.691 33.196 32.500 0.009 0.000 1.012 20 K HN -0.005 nan 8.250 nan 0.000 0.472 21 D N 2.282 122.676 120.400 -0.010 0.000 2.737 21 D HA -0.177 4.467 4.640 0.007 0.000 0.243 21 D C 0.447 176.709 176.300 -0.062 0.000 1.109 21 D CA 0.564 54.542 54.000 -0.035 0.000 0.702 21 D CB -1.543 39.249 40.800 -0.013 0.000 1.068 21 D HN 0.518 nan 8.370 nan 0.000 0.432 22 L N 0.271 121.426 121.223 -0.113 0.000 2.131 22 L HA -0.114 4.230 4.340 0.007 0.000 0.206 22 L C 2.297 178.870 176.870 -0.496 0.000 1.087 22 L CA 1.397 56.138 54.840 -0.164 0.000 0.767 22 L CB -0.157 41.894 42.059 -0.014 0.000 0.917 22 L HN 0.127 nan 8.230 nan 0.000 0.441 23 D N -0.025 119.879 120.400 -0.826 0.000 2.228 23 D HA -0.260 4.384 4.640 0.007 0.000 0.203 23 D C 1.750 177.859 176.300 -0.318 0.000 0.988 23 D CA 1.408 54.919 54.000 -0.815 0.000 0.864 23 D CB -0.274 40.249 40.800 -0.461 0.000 0.928 23 D HN 0.180 nan 8.370 nan 0.000 0.469 24 K N -1.233 119.063 120.400 -0.173 0.000 2.356 24 K HA -0.006 4.318 4.320 0.007 0.000 0.195 24 K C 0.197 176.783 176.600 -0.023 0.000 1.037 24 K CA -0.319 55.924 56.287 -0.073 0.000 1.014 24 K CB 0.049 32.526 32.500 -0.038 0.000 0.815 24 K HN 0.279 nan 8.250 nan 0.000 0.507 25 Y N 1.883 122.112 120.300 -0.119 0.000 2.397 25 Y HA -0.003 4.551 4.550 0.007 0.000 0.335 25 Y C -0.375 175.497 175.900 -0.047 0.000 1.213 25 Y CA 0.488 58.545 58.100 -0.071 0.000 1.391 25 Y CB 0.830 39.253 38.460 -0.063 0.000 1.293 25 Y HN -0.224 nan 8.280 nan 0.000 0.557 26 T N 8.304 122.197 114.554 -1.101 0.000 2.879 26 T HA 0.314 4.668 4.350 0.007 0.000 0.290 26 T C -2.772 171.314 174.700 -1.023 0.000 0.993 26 T CA -1.398 60.230 62.100 -0.787 0.000 0.975 26 T CB 1.537 70.188 68.868 -0.362 0.000 0.981 26 T HN 0.446 nan 8.240 nan 0.000 0.439 27 P HA 0.051 nan 4.420 nan 0.000 0.263 27 P C 0.414 177.585 177.300 -0.215 0.000 1.168 27 P CA 0.208 63.138 63.100 -0.283 0.000 0.759 27 P CB 0.818 32.459 31.700 -0.098 0.000 0.782 28 K N 2.528 122.867 120.400 -0.102 0.000 2.054 28 K HA 0.026 4.350 4.320 0.007 0.000 0.207 28 K C 1.017 177.586 176.600 -0.052 0.000 1.031 28 K CA 0.860 57.109 56.287 -0.064 0.000 0.952 28 K CB 0.009 32.503 32.500 -0.010 0.000 0.775 28 K HN 0.504 nan 8.250 nan 0.000 0.447 29 R N 0.672 121.149 120.500 -0.038 0.000 2.700 29 R HA 0.534 4.878 4.340 0.007 0.000 0.253 29 R C -0.624 175.651 176.300 -0.042 0.000 1.091 29 R CA -0.849 55.224 56.100 -0.046 0.000 1.104 29 R CB 0.956 31.225 30.300 -0.052 0.000 1.202 29 R HN -0.096 nan 8.270 nan 0.000 0.532 30 R N -0.762 119.708 120.500 -0.051 0.000 2.651 30 R HA 0.563 4.907 4.340 0.007 0.000 0.278 30 R C -1.004 175.266 176.300 -0.050 0.000 1.010 30 R CA -0.025 56.050 56.100 -0.042 0.000 0.896 30 R CB 2.394 32.661 30.300 -0.055 0.000 1.211 30 R HN 1.056 nan 8.270 nan 0.000 0.456 31 G N 1.414 110.202 108.800 -0.019 0.000 2.592 31 G HA2 -0.204 3.760 3.960 0.007 0.000 0.684 31 G HA3 -0.204 3.760 3.960 0.007 0.000 0.684 31 G C -1.428 173.475 174.900 0.005 0.000 1.291 31 G CA -0.729 44.372 45.100 0.002 0.000 0.891 31 G HN 0.540 nan 8.290 nan 0.000 0.544 32 W N 2.041 123.214 121.300 -0.211 0.000 2.266 32 W HA 0.519 5.183 4.660 0.006 0.000 0.317 32 W C 0.562 176.848 176.519 -0.387 0.000 1.310 32 W CA 0.630 57.755 57.345 -0.365 0.000 1.207 32 W CB 1.118 30.263 29.460 -0.525 0.000 1.199 32 W HN 0.969 nan 8.180 nan 0.000 0.544 33 T N 2.790 116.778 114.554 -0.945 0.000 2.792 33 T HA 0.335 4.689 4.350 0.007 0.000 0.280 33 T C -0.271 173.932 174.700 -0.828 0.000 0.990 33 T CA -0.615 61.091 62.100 -0.656 0.000 0.960 33 T CB 1.049 69.692 68.868 -0.374 0.000 0.939 33 T HN 0.504 nan 8.240 nan 0.000 0.439 34 W N 1.677 122.843 121.300 -0.223 0.000 1.807 34 W HA 0.544 5.208 4.660 0.006 0.000 0.493 34 W C 1.140 177.596 176.519 -0.105 0.000 2.080 34 W CA -1.298 55.992 57.345 -0.091 0.000 2.345 34 W CB 0.581 30.087 29.460 0.076 0.000 1.717 34 W HN 0.414 nan 8.180 nan 0.000 0.777 35 R N 0.678 121.333 120.500 0.259 0.000 2.589 35 R HA 0.239 4.583 4.340 0.007 0.000 0.293 35 R C -0.775 175.574 176.300 0.081 0.000 0.963 35 R CA -0.988 55.175 56.100 0.105 0.000 0.905 35 R CB 1.417 31.766 30.300 0.081 0.000 1.144 35 R HN 0.156 nan 8.270 nan 0.000 0.459 36 Q N 2.747 122.570 119.800 0.038 0.000 2.337 36 Q HA 0.249 4.593 4.340 0.007 0.000 0.255 36 Q C -2.300 173.709 176.000 0.014 0.000 0.997 36 Q CA -2.433 53.385 55.803 0.025 0.000 0.925 36 Q CB 0.809 29.553 28.738 0.011 0.000 1.212 36 Q HN 0.236 nan 8.270 nan 0.000 0.436 37 P HA -0.018 nan 4.420 nan 0.000 0.261 37 P C -0.860 176.444 177.300 0.007 0.000 1.183 37 P CA 0.250 63.355 63.100 0.007 0.000 0.761 37 P CB 0.514 32.215 31.700 0.002 0.000 0.785 38 A N 3.149 125.974 122.820 0.007 0.000 2.478 38 A HA 0.263 4.587 4.320 0.007 0.000 0.327 38 A C 0.250 177.850 177.584 0.027 0.000 1.431 38 A CA -0.323 51.721 52.037 0.012 0.000 1.014 38 A CB -0.421 18.581 19.000 0.003 0.000 1.143 38 A HN 0.367 nan 8.150 nan 0.000 0.532 39 E N 2.265 122.480 120.200 0.024 0.000 2.290 39 E HA 0.220 4.574 4.350 0.007 0.000 0.277 39 E C 0.029 176.654 176.600 0.042 0.000 1.035 39 E CA 0.476 56.895 56.400 0.030 0.000 0.873 39 E CB 0.031 29.742 29.700 0.019 0.000 1.029 39 E HN 0.557 nan 8.360 nan 0.000 0.419 40 N N 2.262 120.995 118.700 0.055 0.000 2.740 40 N HA -0.227 4.517 4.740 0.007 0.000 0.248 40 N C -0.956 174.605 175.510 0.086 0.000 1.062 40 N CA 0.345 53.433 53.050 0.063 0.000 0.704 40 N CB -1.378 37.133 38.487 0.040 0.000 0.968 40 N HN 0.362 nan 8.380 nan 0.000 0.547 41 L N 0.836 122.131 121.223 0.119 0.000 2.462 41 L HA 0.139 4.483 4.340 0.007 0.000 0.272 41 L C 0.849 177.850 176.870 0.218 0.000 1.166 41 L CA 0.381 55.301 54.840 0.133 0.000 0.880 41 L CB 0.533 42.651 42.059 0.098 0.000 1.142 41 L HN 0.284 nan 8.230 nan 0.000 0.473 42 Q N 5.539 125.431 119.800 0.154 0.000 2.278 42 Q HA 0.642 4.985 4.340 0.007 0.000 0.257 42 Q C -1.373 174.732 176.000 0.175 0.000 0.928 42 Q CA -0.203 55.697 55.803 0.161 0.000 0.932 42 Q CB 0.999 29.788 28.738 0.085 0.000 1.221 42 Q HN 0.771 nan 8.270 nan 0.000 0.434 43 M N 3.364 123.116 119.600 0.252 0.000 2.322 43 M HA 0.425 4.908 4.480 0.007 0.000 0.286 43 M C 0.372 176.788 176.300 0.194 0.000 1.111 43 M CA -0.210 55.221 55.300 0.218 0.000 0.941 43 M CB 2.115 34.856 32.600 0.235 0.000 1.671 43 M HN 0.974 nan 8.290 nan 0.000 0.470 44 G N 3.518 112.385 108.800 0.111 0.000 2.672 44 G HA2 -0.267 3.697 3.960 0.007 0.000 0.324 44 G HA3 -0.267 3.697 3.960 0.007 0.000 0.324 44 G C -1.986 172.863 174.900 -0.085 0.000 1.286 44 G CA 0.426 45.551 45.100 0.041 0.000 1.004 44 G HN 0.555 nan 8.290 nan 0.000 0.548 45 P HA 0.341 nan 4.420 nan 0.000 0.249 45 P C -0.004 176.969 177.300 -0.544 0.000 1.229 45 P CA 0.442 63.227 63.100 -0.526 0.000 0.788 45 P CB 0.117 31.319 31.700 -0.831 0.000 1.072 46 F N -0.438 119.523 119.950 0.018 0.000 2.507 46 F HA 0.474 5.005 4.527 0.006 0.000 0.327 46 F C 0.537 176.254 175.800 -0.138 0.000 1.068 46 F CA -1.551 56.375 58.000 -0.124 0.000 0.965 46 F CB 0.962 39.793 39.000 -0.281 0.000 1.192 46 F HN -0.375 nan 8.300 nan 0.000 0.476 47 I N 1.984 122.520 120.570 -0.057 0.000 2.436 47 I HA 0.321 4.494 4.170 0.007 0.000 0.289 47 I C -1.388 174.584 176.117 -0.242 0.000 1.010 47 I CA -0.740 60.529 61.300 -0.053 0.000 1.098 47 I CB 1.612 39.608 38.000 -0.006 0.000 1.266 47 I HN 0.466 nan 8.210 nan 0.000 0.434 48 Y N 5.444 125.767 120.300 0.039 0.000 2.335 48 Y HA 0.303 4.857 4.550 0.006 0.000 0.338 48 Y C 0.739 176.642 175.900 0.006 0.000 0.977 48 Y CA -0.720 57.387 58.100 0.011 0.000 1.114 48 Y CB 1.478 39.942 38.460 0.006 0.000 1.182 48 Y HN 0.379 nan 8.280 nan 0.000 0.463 49 K N 0.547 121.011 120.400 0.106 0.000 2.361 49 K HA 0.053 4.377 4.320 0.007 0.000 0.196 49 K C -0.181 176.458 176.600 0.065 0.000 1.039 49 K CA 0.797 57.122 56.287 0.063 0.000 1.001 49 K CB 0.230 32.744 32.500 0.024 0.000 0.795 49 K HN 0.566 nan 8.250 nan 0.000 0.495 50 D N -0.552 119.903 120.400 0.092 0.000 2.673 50 D HA 0.231 4.874 4.640 0.007 0.000 0.278 50 D C -0.841 175.489 176.300 0.050 0.000 1.393 50 D CA -0.016 54.019 54.000 0.058 0.000 0.805 50 D CB 0.687 41.516 40.800 0.048 0.000 1.110 50 D HN 0.034 nan 8.370 nan 0.000 0.476 51 A N 0.319 123.170 122.820 0.053 0.000 2.311 51 A HA 0.743 5.067 4.320 0.007 0.000 0.334 51 A C 0.493 178.071 177.584 -0.010 0.000 1.139 51 A CA -0.456 51.577 52.037 -0.007 0.000 0.830 51 A CB 1.217 20.169 19.000 -0.080 0.000 1.234 51 A HN 0.084 nan 8.150 nan 0.000 0.483 52 S N -0.089 115.594 115.700 -0.030 0.000 2.745 52 S HA 0.599 5.073 4.470 0.007 0.000 0.292 52 S C 0.136 174.716 174.600 -0.035 0.000 1.133 52 S CA -0.303 57.886 58.200 -0.019 0.000 0.998 52 S CB 0.645 63.840 63.200 -0.009 0.000 1.087 52 S HN 0.754 nan 8.310 nan 0.000 0.551 53 T N 3.940 118.479 114.554 -0.026 0.000 2.891 53 T HA 0.215 4.569 4.350 0.007 0.000 0.296 53 T C -2.294 172.375 174.700 -0.051 0.000 1.025 53 T CA 0.061 62.141 62.100 -0.034 0.000 1.149 53 T CB -0.397 68.454 68.868 -0.030 0.000 1.007 53 T HN 0.533 nan 8.240 nan 0.000 0.528 54 P HA 0.312 nan 4.420 nan 0.000 0.277 54 P C -0.209 177.044 177.300 -0.077 0.000 1.240 54 P CA -0.662 62.396 63.100 -0.069 0.000 0.798 54 P CB 0.519 32.183 31.700 -0.060 0.000 0.979 55 L N 1.751 122.917 121.223 -0.096 0.000 2.417 55 L HA 0.119 4.462 4.340 0.007 0.000 0.268 55 L C 1.773 178.561 176.870 -0.135 0.000 1.158 55 L CA 0.060 54.820 54.840 -0.133 0.000 0.819 55 L CB 0.122 42.075 42.059 -0.176 0.000 1.112 55 L HN 0.483 nan 8.230 nan 0.000 0.458 56 E N 1.023 121.131 120.200 -0.153 0.000 2.072 56 E HA -0.080 4.274 4.350 0.007 0.000 0.191 56 E C -0.013 176.473 176.600 -0.189 0.000 0.985 56 E CA 0.992 57.307 56.400 -0.140 0.000 0.801 56 E CB 0.173 29.796 29.700 -0.129 0.000 0.750 56 E HN 0.455 nan 8.360 nan 0.000 0.452 57 N N 0.237 118.738 118.700 -0.331 0.000 2.549 57 N HA 0.159 4.903 4.740 0.007 0.000 0.281 57 N C -1.476 173.599 175.510 -0.724 0.000 1.084 57 N CA -0.071 52.666 53.050 -0.521 0.000 0.862 57 N CB 1.895 39.928 38.487 -0.757 0.000 1.333 57 N HN -0.001 nan 8.380 nan 0.000 0.523 58 S N -0.306 115.202 115.700 -0.319 0.000 2.651 58 S HA 0.578 5.052 4.470 0.007 0.000 0.279 58 S C -0.817 173.869 174.600 0.144 0.000 1.148 58 S CA -0.687 57.439 58.200 -0.122 0.000 0.837 58 S CB 1.633 64.771 63.200 -0.103 0.000 1.138 58 S HN 0.008 nan 8.310 nan 0.000 0.478 59 V N 1.765 121.755 119.914 0.127 0.000 2.350 59 V HA 0.707 4.831 4.120 0.007 0.000 0.276 59 V C 0.836 176.967 176.094 0.061 0.000 1.028 59 V CA -0.261 62.066 62.300 0.045 0.000 0.860 59 V CB 0.380 32.062 31.823 -0.234 0.000 0.990 59 V HN 1.173 nan 8.190 nan 0.000 0.453 60 A N 5.546 128.421 122.820 0.092 0.000 2.296 60 A HA 0.691 5.015 4.320 0.007 0.000 0.264 60 A C 0.037 177.709 177.584 0.147 0.000 1.097 60 A CA -0.494 51.609 52.037 0.109 0.000 0.811 60 A CB 0.274 19.337 19.000 0.105 0.000 1.072 60 A HN 0.798 nan 8.150 nan 0.000 0.495 61 L N 0.540 121.852 121.223 0.148 0.000 2.473 61 L HA 0.141 4.485 4.340 0.007 0.000 0.268 61 L C -1.202 175.766 176.870 0.164 0.000 1.215 61 L CA -1.238 53.696 54.840 0.158 0.000 0.823 61 L CB 0.377 42.519 42.059 0.138 0.000 1.099 61 L HN 0.553 nan 8.230 nan 0.000 0.483 62 P HA -0.116 nan 4.420 nan 0.000 0.218 62 P C 0.913 178.332 177.300 0.199 0.000 1.146 62 P CA 1.062 64.254 63.100 0.153 0.000 0.813 62 P CB 0.258 32.040 31.700 0.136 0.000 0.778 63 S N -1.337 114.519 115.700 0.261 0.000 2.577 63 S HA 0.252 4.726 4.470 0.007 0.000 0.219 63 S C 1.720 176.630 174.600 0.516 0.000 0.962 63 S CA 0.307 58.760 58.200 0.420 0.000 0.921 63 S CB -0.399 63.036 63.200 0.391 0.000 0.789 63 S HN 0.118 nan 8.310 nan 0.000 0.497 64 A N 2.412 125.447 122.820 0.359 0.000 2.121 64 A HA -0.125 4.199 4.320 0.007 0.000 0.218 64 A C 1.929 179.682 177.584 0.280 0.000 1.154 64 A CA 1.075 53.343 52.037 0.385 0.000 0.679 64 A CB -0.316 18.829 19.000 0.242 0.000 0.795 64 A HN 0.540 nan 8.150 nan 0.000 0.458 65 K N -0.725 119.730 120.400 0.092 0.000 1.987 65 K HA -0.247 4.077 4.320 0.007 0.000 0.216 65 K C 1.523 178.013 176.600 -0.183 0.000 1.051 65 K CA 1.964 58.178 56.287 -0.121 0.000 0.942 65 K CB -0.842 31.451 32.500 -0.345 0.000 0.722 65 K HN 0.542 nan 8.250 nan 0.000 0.444 66 Y N 0.117 120.335 120.300 -0.137 0.000 2.617 66 Y HA -0.163 4.390 4.550 0.006 0.000 0.284 66 Y C 0.776 176.250 175.900 -0.710 0.000 1.162 66 Y CA 0.747 58.560 58.100 -0.478 0.000 1.399 66 Y CB -0.573 37.455 38.460 -0.720 0.000 0.962 66 Y HN 0.060 nan 8.280 nan 0.000 0.576 67 F N -1.410 118.663 119.950 0.206 0.000 2.677 67 F HA 0.511 5.041 4.527 0.007 0.000 0.388 67 F C 1.054 176.917 175.800 0.106 0.000 1.400 67 F CA -0.578 57.527 58.000 0.174 0.000 1.162 67 F CB 0.829 40.008 39.000 0.299 0.000 1.135 67 F HN -0.094 nan 8.300 nan 0.000 0.516 68 G N 0.484 109.378 108.800 0.157 0.000 2.246 68 G HA2 -0.304 3.660 3.960 0.007 0.000 0.273 68 G HA3 -0.304 3.660 3.960 0.007 0.000 0.273 68 G C 0.126 175.093 174.900 0.112 0.000 1.055 68 G CA 0.197 45.359 45.100 0.104 0.000 0.851 68 G HN 0.522 nan 8.290 nan 0.000 0.500 69 D N -0.471 120.002 120.400 0.121 0.000 2.813 69 D HA -0.214 4.430 4.640 0.007 0.000 0.218 69 D C 1.274 177.646 176.300 0.120 0.000 1.240 69 D CA 1.704 55.776 54.000 0.120 0.000 0.644 69 D CB -0.844 40.002 40.800 0.076 0.000 0.966 69 D HN 1.102 nan 8.370 nan 0.000 0.398 70 I N -2.341 118.325 120.570 0.160 0.000 2.612 70 I HA 0.426 4.599 4.170 0.007 0.000 0.295 70 I C 0.344 176.513 176.117 0.087 0.000 1.011 70 I CA -0.408 60.965 61.300 0.123 0.000 1.326 70 I CB 1.319 39.416 38.000 0.163 0.000 1.427 70 I HN -0.256 nan 8.210 nan 0.000 0.537 71 D N 5.162 125.580 120.400 0.030 0.000 2.363 71 D HA 0.475 5.119 4.640 0.007 0.000 0.258 71 D C -2.584 173.670 176.300 -0.076 0.000 1.259 71 D CA -1.539 52.459 54.000 -0.002 0.000 0.921 71 D CB 1.129 41.937 40.800 0.012 0.000 1.201 71 D HN 0.325 nan 8.370 nan 0.000 0.524 72 P HA 0.170 nan 4.420 nan 0.000 0.269 72 P C -0.673 176.521 177.300 -0.176 0.000 1.215 72 P CA -0.249 62.668 63.100 -0.305 0.000 0.780 72 P CB 0.608 31.980 31.700 -0.547 0.000 0.898 73 Q N 1.954 121.656 119.800 -0.164 0.000 2.337 73 Q HA 0.459 4.803 4.340 0.007 0.000 0.270 73 Q C -2.473 173.481 176.000 -0.077 0.000 1.043 73 Q CA -2.038 53.712 55.803 -0.089 0.000 0.794 73 Q CB 1.848 30.546 28.738 -0.067 0.000 1.281 73 Q HN 0.278 nan 8.270 nan 0.000 0.446 74 P HA 0.280 nan 4.420 nan 0.000 0.279 74 P C 0.596 177.900 177.300 0.006 0.000 1.276 74 P CA -0.487 62.604 63.100 -0.015 0.000 0.801 74 P CB 1.170 32.873 31.700 0.004 0.000 1.127 75 L N -0.592 120.641 121.223 0.016 0.000 2.044 75 L HA 0.077 4.421 4.340 0.007 0.000 0.205 75 L C -1.210 175.693 176.870 0.056 0.000 1.075 75 L CA 0.777 55.633 54.840 0.027 0.000 0.747 75 L CB -1.725 40.343 42.059 0.014 0.000 0.903 75 L HN 0.340 nan 8.230 nan 0.000 0.435 76 P HA -0.033 nan 4.420 nan 0.000 0.267 76 P C -0.715 176.669 177.300 0.139 0.000 1.200 76 P CA 0.210 63.371 63.100 0.101 0.000 0.772 76 P CB 0.493 32.240 31.700 0.078 0.000 0.855 77 V N 4.416 124.467 119.914 0.228 0.000 2.470 77 V HA 0.049 4.173 4.120 0.007 0.000 0.276 77 V C 0.625 176.837 176.094 0.197 0.000 1.040 77 V CA 0.026 62.457 62.300 0.219 0.000 1.008 77 V CB -0.154 31.857 31.823 0.313 0.000 0.990 77 V HN 0.343 nan 8.190 nan 0.000 0.477 78 I N 4.982 125.633 120.570 0.134 0.000 2.312 78 I HA 0.260 4.434 4.170 0.007 0.000 0.291 78 I C 0.761 176.936 176.117 0.097 0.000 1.031 78 I CA 0.249 61.610 61.300 0.101 0.000 1.293 78 I CB 0.927 38.967 38.000 0.066 0.000 1.403 78 I HN 0.578 nan 8.210 nan 0.000 0.484 79 T N 4.478 119.062 114.554 0.051 0.000 2.899 79 T HA 0.430 4.784 4.350 0.007 0.000 0.284 79 T C 0.391 175.022 174.700 -0.115 0.000 1.004 79 T CA -0.381 61.649 62.100 -0.118 0.000 1.043 79 T CB 1.696 70.367 68.868 -0.330 0.000 1.013 79 T HN 0.678 nan 8.240 nan 0.000 0.518 80 T N 1.147 115.609 114.554 -0.155 0.000 3.032 80 T HA 0.317 4.671 4.350 0.007 0.000 0.312 80 T C -1.331 173.303 174.700 -0.109 0.000 1.078 80 T CA -0.691 61.356 62.100 -0.089 0.000 1.028 80 T CB 1.292 70.155 68.868 -0.008 0.000 1.091 80 T HN 0.600 nan 8.240 nan 0.000 0.457 81 E N 3.424 123.576 120.200 -0.081 0.000 2.229 81 E HA 0.493 4.847 4.350 0.007 0.000 0.283 81 E C -0.632 175.971 176.600 0.005 0.000 1.030 81 E CA -0.236 56.130 56.400 -0.058 0.000 0.836 81 E CB 0.874 30.549 29.700 -0.043 0.000 1.068 81 E HN 0.489 nan 8.360 nan 0.000 0.401 82 I N 2.923 123.508 120.570 0.025 0.000 2.468 82 I HA 0.541 4.715 4.170 0.007 0.000 0.285 82 I C -1.000 175.180 176.117 0.106 0.000 1.039 82 I CA -0.365 60.983 61.300 0.080 0.000 1.074 82 I CB 1.694 39.757 38.000 0.105 0.000 1.228 82 I HN 0.534 nan 8.210 nan 0.000 0.436 83 A N 3.704 126.599 122.820 0.124 0.000 2.521 83 A HA 0.505 4.829 4.320 0.007 0.000 0.298 83 A C -0.094 177.592 177.584 0.171 0.000 1.044 83 A CA -0.136 51.992 52.037 0.152 0.000 0.911 83 A CB 0.973 20.051 19.000 0.129 0.000 1.376 83 A HN 0.694 nan 8.150 nan 0.000 0.392 84 S N 0.904 116.749 115.700 0.241 0.000 2.649 84 S HA 0.531 5.005 4.470 0.007 0.000 0.246 84 S C 1.356 176.218 174.600 0.437 0.000 1.057 84 S CA 1.093 59.487 58.200 0.324 0.000 1.051 84 S CB 0.618 64.074 63.200 0.427 0.000 1.018 84 S HN 2.704 nan 8.310 nan 0.000 0.569 85 G N 2.301 111.298 108.800 0.328 0.000 2.493 85 G HA2 -0.180 3.784 3.960 0.007 0.000 0.206 85 G HA3 -0.180 3.784 3.960 0.007 0.000 0.206 85 G C 0.132 175.154 174.900 0.203 0.000 1.109 85 G CA -0.445 44.816 45.100 0.270 0.000 0.689 85 G HN 0.461 nan 8.290 nan 0.000 0.516 86 R N 1.791 122.372 120.500 0.134 0.000 2.870 86 R HA 0.405 4.749 4.340 0.007 0.000 0.254 86 R C 1.615 177.922 176.300 0.012 0.000 1.392 86 R CA 0.077 56.139 56.100 -0.063 0.000 1.322 86 R CB -0.493 29.537 30.300 -0.449 0.000 1.205 86 R HN 0.609 nan 8.270 nan 0.000 0.597 87 F N 1.585 121.567 119.950 0.053 0.000 2.287 87 F HA -0.236 4.295 4.527 0.007 0.000 0.301 87 F C 1.900 177.739 175.800 0.065 0.000 1.069 87 F CA 1.230 59.281 58.000 0.084 0.000 1.372 87 F CB -0.058 38.994 39.000 0.087 0.000 1.056 87 F HN 0.300 nan 8.300 nan 0.000 0.523 88 E N 0.521 120.173 120.200 -0.913 0.000 2.371 88 E HA -0.148 4.206 4.350 0.007 0.000 0.194 88 E C 0.809 177.253 176.600 -0.261 0.000 1.012 88 E CA 1.105 57.089 56.400 -0.693 0.000 0.860 88 E CB -0.627 28.604 29.700 -0.781 0.000 0.811 88 E HN 0.473 nan 8.360 nan 0.000 0.502 89 D N 1.261 121.573 120.400 -0.146 0.000 2.305 89 D HA -0.042 4.602 4.640 0.007 0.000 0.206 89 D C 0.971 177.351 176.300 0.134 0.000 0.974 89 D CA 0.486 54.504 54.000 0.031 0.000 0.871 89 D CB 0.121 40.998 40.800 0.130 0.000 0.947 89 D HN 0.187 nan 8.370 nan 0.000 0.516 90 D N 0.595 121.073 120.400 0.130 0.000 2.234 90 D HA -0.005 4.639 4.640 0.007 0.000 0.205 90 D C 2.302 178.690 176.300 0.146 0.000 0.962 90 D CA 0.087 54.194 54.000 0.179 0.000 0.855 90 D CB 0.168 41.091 40.800 0.205 0.000 0.951 90 D HN 0.262 nan 8.370 nan 0.000 0.500 91 I N 0.839 121.470 120.570 0.101 0.000 2.194 91 I HA -0.294 3.880 4.170 0.007 0.000 0.246 91 I C 2.495 178.652 176.117 0.067 0.000 1.093 91 I CA 1.140 62.491 61.300 0.085 0.000 1.355 91 I CB -0.185 37.839 38.000 0.040 0.000 1.046 91 I HN -0.072 nan 8.210 nan 0.000 0.413 92 R N 0.116 120.642 120.500 0.042 0.000 2.120 92 R HA -0.167 4.177 4.340 0.007 0.000 0.234 92 R C 2.451 178.761 176.300 0.017 0.000 1.123 92 R CA 1.168 57.273 56.100 0.008 0.000 0.975 92 R CB -0.230 30.051 30.300 -0.031 0.000 0.866 92 R HN 0.294 nan 8.270 nan 0.000 0.446 93 R N 0.206 120.761 120.500 0.092 0.000 2.153 93 R HA 0.003 4.347 4.340 0.007 0.000 0.218 93 R C 1.930 178.313 176.300 0.139 0.000 1.072 93 R CA 0.864 57.051 56.100 0.145 0.000 0.990 93 R CB 0.092 30.571 30.300 0.298 0.000 0.889 93 R HN 0.192 nan 8.270 nan 0.000 0.452 94 M N -0.475 119.205 119.600 0.133 0.000 2.296 94 M HA -0.106 4.378 4.480 0.007 0.000 0.265 94 M C 2.301 178.689 176.300 0.146 0.000 1.064 94 M CA 1.320 56.703 55.300 0.138 0.000 1.109 94 M CB -0.184 32.500 32.600 0.141 0.000 1.396 94 M HN 0.095 nan 8.290 nan 0.000 0.430 95 R N 0.941 121.519 120.500 0.129 0.000 2.073 95 R HA -0.043 4.301 4.340 0.007 0.000 0.229 95 R C 2.076 178.511 176.300 0.225 0.000 1.120 95 R CA 1.315 57.521 56.100 0.176 0.000 0.967 95 R CB -0.028 30.334 30.300 0.102 0.000 0.862 95 R HN 0.314 nan 8.270 nan 0.000 0.436 96 M N -0.088 119.583 119.600 0.117 0.000 2.117 96 M HA -0.107 4.377 4.480 0.007 0.000 0.262 96 M C 2.456 178.926 176.300 0.283 0.000 1.065 96 M CA 1.839 57.222 55.300 0.140 0.000 1.114 96 M CB -0.256 32.395 32.600 0.086 0.000 1.361 96 M HN 0.278 nan 8.290 nan 0.000 0.408 97 A N 0.500 123.458 122.820 0.229 0.000 1.930 97 A HA -0.008 4.316 4.320 0.007 0.000 0.217 97 A C 2.414 180.132 177.584 0.224 0.000 1.175 97 A CA 1.766 53.937 52.037 0.224 0.000 0.627 97 A CB -0.890 18.203 19.000 0.155 0.000 0.815 97 A HN 0.487 nan 8.150 nan 0.000 0.443 98 A N -1.209 121.739 122.820 0.214 0.000 1.883 98 A HA -0.202 4.122 4.320 0.007 0.000 0.217 98 A C 1.925 179.589 177.584 0.134 0.000 1.186 98 A CA 1.599 53.728 52.037 0.154 0.000 0.624 98 A CB -0.939 18.150 19.000 0.148 0.000 0.822 98 A HN 0.728 nan 8.150 nan 0.000 0.444 99 W N -0.883 120.412 121.300 -0.008 0.000 2.425 99 W HA -0.047 4.617 4.660 0.007 0.000 0.277 99 W C 2.175 178.615 176.519 -0.132 0.000 1.231 99 W CA 1.339 58.631 57.345 -0.088 0.000 1.248 99 W CB -0.272 29.096 29.460 -0.152 0.000 1.117 99 W HN 0.471 nan 8.180 nan 0.000 0.568 100 H N -1.623 117.584 119.070 0.230 0.000 2.548 100 H HA 0.216 4.776 4.556 0.007 0.000 0.265 100 H C 1.866 177.246 175.328 0.085 0.000 0.969 100 H CA 1.368 57.503 56.048 0.145 0.000 1.155 100 H CB 0.393 30.230 29.762 0.125 0.000 1.394 100 H HN 0.265 nan 8.280 nan 0.000 0.570 101 G N -0.199 108.692 108.800 0.152 0.000 2.551 101 G HA2 -0.161 3.803 3.960 0.007 0.000 0.186 101 G HA3 -0.161 3.803 3.960 0.007 0.000 0.186 101 G C 0.424 175.364 174.900 0.066 0.000 1.002 101 G CA -0.122 45.025 45.100 0.079 0.000 0.723 101 G HN 0.534 nan 8.290 nan 0.000 0.481 102 A N 1.660 124.536 122.820 0.093 0.000 2.522 102 A HA 0.494 4.818 4.320 0.007 0.000 0.256 102 A C 0.848 178.465 177.584 0.054 0.000 1.086 102 A CA 1.137 53.220 52.037 0.076 0.000 0.763 102 A CB 0.117 19.169 19.000 0.087 0.000 1.024 102 A HN 0.780 nan 8.150 nan 0.000 0.502 103 D N 1.532 121.958 120.400 0.044 0.000 2.673 103 D HA 0.076 4.720 4.640 0.007 0.000 0.278 103 D C -0.179 176.129 176.300 0.013 0.000 1.393 103 D CA 0.033 54.032 54.000 -0.001 0.000 0.805 103 D CB -0.561 40.206 40.800 -0.056 0.000 1.110 103 D HN 0.742 nan 8.370 nan 0.000 0.476 104 H N 0.446 119.483 119.070 -0.056 0.000 3.240 104 H HA 0.300 4.860 4.556 0.007 0.000 0.326 104 H C -1.251 174.063 175.328 -0.024 0.000 1.015 104 H CA -0.706 55.307 56.048 -0.058 0.000 1.504 104 H CB 0.950 30.704 29.762 -0.013 0.000 1.754 104 H HN -0.131 nan 8.280 nan 0.000 0.505 105 I N 5.654 126.322 120.570 0.164 0.000 2.336 105 I HA 0.225 4.399 4.170 0.007 0.000 0.292 105 I C -0.002 176.063 176.117 -0.086 0.000 0.991 105 I CA -0.483 60.833 61.300 0.026 0.000 1.227 105 I CB 1.316 39.385 38.000 0.114 0.000 1.366 105 I HN 0.688 nan 8.210 nan 0.000 0.466 106 M N 7.091 126.574 119.600 -0.194 0.000 2.181 106 M HA 0.474 4.958 4.480 0.007 0.000 0.323 106 M C -1.570 174.641 176.300 -0.149 0.000 1.004 106 M CA -0.586 54.576 55.300 -0.230 0.000 0.941 106 M CB 1.549 33.934 32.600 -0.359 0.000 1.579 106 M HN 0.254 nan 8.290 nan 0.000 0.427 107 V N 6.886 126.692 119.914 -0.180 0.000 2.328 107 V HA 0.371 4.495 4.120 0.007 0.000 0.278 107 V C 0.351 176.474 176.094 0.049 0.000 1.021 107 V CA -0.631 61.639 62.300 -0.050 0.000 0.838 107 V CB 0.938 32.736 31.823 -0.042 0.000 0.999 107 V HN 0.784 nan 8.190 nan 0.000 0.447 108 I N 5.014 125.677 120.570 0.156 0.000 2.696 108 I HA 0.291 4.465 4.170 0.007 0.000 0.284 108 I C 0.887 177.128 176.117 0.206 0.000 1.129 108 I CA -0.248 61.235 61.300 0.305 0.000 1.410 108 I CB 0.437 38.540 38.000 0.172 0.000 1.399 108 I HN 0.566 nan 8.210 nan 0.000 0.579 109 R N 2.180 122.788 120.500 0.179 0.000 2.549 109 R HA 0.349 4.693 4.340 0.007 0.000 0.259 109 R C 0.104 176.432 176.300 0.045 0.000 1.095 109 R CA -0.669 55.494 56.100 0.105 0.000 1.148 109 R CB 0.573 30.920 30.300 0.079 0.000 1.181 109 R HN 0.568 nan 8.270 nan 0.000 0.571 110 T N 0.111 114.690 114.554 0.041 0.000 2.860 110 T HA 0.228 4.582 4.350 0.007 0.000 0.299 110 T C 0.184 174.877 174.700 -0.011 0.000 1.045 110 T CA -0.431 61.697 62.100 0.046 0.000 1.071 110 T CB 0.465 69.389 68.868 0.094 0.000 0.985 110 T HN 0.594 nan 8.240 nan 0.000 0.537 111 A N 2.582 125.414 122.820 0.021 0.000 2.550 111 A HA 0.433 4.757 4.320 0.007 0.000 0.263 111 A C 1.447 179.026 177.584 -0.009 0.000 1.065 111 A CA 0.446 52.490 52.037 0.012 0.000 0.786 111 A CB -1.471 17.555 19.000 0.043 0.000 0.985 111 A HN 2.077 nan 8.150 nan 0.000 0.518 112 G N 2.110 110.890 108.800 -0.032 0.000 2.351 112 G HA2 -0.274 3.690 3.960 0.007 0.000 0.297 112 G HA3 -0.274 3.690 3.960 0.007 0.000 0.297 112 G C 0.438 175.170 174.900 -0.280 0.000 1.054 112 G CA 0.613 45.706 45.100 -0.012 0.000 1.123 112 G HN 1.161 nan 8.290 nan 0.000 0.512 113 Q N -0.625 118.890 119.800 -0.475 0.000 2.403 113 Q HA 0.191 4.535 4.340 0.007 0.000 0.203 113 Q C 2.253 177.962 176.000 -0.485 0.000 0.932 113 Q CA 0.810 56.048 55.803 -0.942 0.000 0.945 113 Q CB -0.073 28.286 28.738 -0.633 0.000 1.045 113 Q HN 0.516 nan 8.270 nan 0.000 0.511 114 S N -0.153 115.342 115.700 -0.341 0.000 2.447 114 S HA -0.086 4.388 4.470 0.007 0.000 0.233 114 S C 0.923 175.312 174.600 -0.350 0.000 1.006 114 S CA 0.660 58.662 58.200 -0.330 0.000 0.957 114 S CB -0.077 62.874 63.200 -0.415 0.000 0.773 114 S HN 0.555 nan 8.310 nan 0.000 0.507 115 H N -0.803 118.235 119.070 -0.053 0.000 2.586 115 H HA 0.191 4.751 4.556 0.006 0.000 0.273 115 H C -0.575 174.889 175.328 0.226 0.000 0.997 115 H CA -0.151 55.937 56.048 0.065 0.000 1.177 115 H CB 0.087 29.889 29.762 0.067 0.000 1.471 115 H HN 0.295 nan 8.280 nan 0.000 0.538 116 Y N 1.691 122.046 120.300 0.091 0.000 2.480 116 Y HA 0.016 4.570 4.550 0.006 0.000 0.341 116 Y C 0.898 176.821 175.900 0.038 0.000 1.031 116 Y CA -1.012 57.123 58.100 0.058 0.000 1.295 116 Y CB 0.093 38.576 38.460 0.038 0.000 1.162 116 Y HN 0.041 nan 8.280 nan 0.000 0.523 117 D N 2.470 122.979 120.400 0.183 0.000 2.801 117 D HA 0.397 5.041 4.640 0.007 0.000 0.232 117 D C 0.443 176.789 176.300 0.077 0.000 1.128 117 D CA 0.686 54.751 54.000 0.108 0.000 1.003 117 D CB -0.489 40.363 40.800 0.085 0.000 1.110 117 D HN 0.819 nan 8.370 nan 0.000 0.477 118 G N 0.219 109.070 108.800 0.085 0.000 2.334 118 G HA2 -0.026 3.938 3.960 0.007 0.000 0.566 118 G HA3 -0.026 3.938 3.960 0.007 0.000 0.566 118 G C -0.697 174.243 174.900 0.067 0.000 1.413 118 G CA -1.012 44.120 45.100 0.052 0.000 0.993 118 G HN 0.233 nan 8.290 nan 0.000 0.642 119 L N 0.356 121.600 121.223 0.036 0.000 2.492 119 L HA 0.460 4.804 4.340 0.007 0.000 0.280 119 L C 1.155 178.041 176.870 0.027 0.000 1.240 119 L CA -0.055 54.809 54.840 0.039 0.000 0.831 119 L CB 0.257 42.322 42.059 0.009 0.000 1.100 119 L HN 0.662 nan 8.230 nan 0.000 0.505 120 I N -2.002 118.594 120.570 0.044 0.000 2.740 120 I HA 0.609 4.783 4.170 0.007 0.000 0.303 120 I C -0.651 175.455 176.117 -0.017 0.000 1.044 120 I CA -0.876 60.419 61.300 -0.008 0.000 1.064 120 I CB 2.212 40.208 38.000 -0.008 0.000 1.249 120 I HN 0.413 nan 8.210 nan 0.000 0.433 121 E N 2.381 122.551 120.200 -0.051 0.000 2.263 121 E HA 0.669 5.023 4.350 0.007 0.000 0.264 121 E C 0.280 176.830 176.600 -0.083 0.000 0.923 121 E CA 0.089 56.440 56.400 -0.082 0.000 0.802 121 E CB 1.890 31.526 29.700 -0.105 0.000 1.228 121 E HN 1.058 nan 8.360 nan 0.000 0.417 122 G N 1.146 109.873 108.800 -0.122 0.000 2.509 122 G HA2 -0.259 3.705 3.960 0.007 0.000 0.259 122 G HA3 -0.259 3.705 3.960 0.007 0.000 0.259 122 G C -0.273 174.579 174.900 -0.081 0.000 1.169 122 G CA 0.237 45.279 45.100 -0.095 0.000 0.953 122 G HN 1.000 nan 8.290 nan 0.000 0.563 123 T N -1.568 112.971 114.554 -0.025 0.000 3.365 123 T HA 0.617 4.971 4.350 0.007 0.000 0.290 123 T C -3.036 171.707 174.700 0.072 0.000 0.941 123 T CA -0.241 61.861 62.100 0.004 0.000 1.522 123 T CB 2.388 71.294 68.868 0.064 0.000 0.865 123 T HN 0.601 nan 8.240 nan 0.000 0.572 124 P HA 0.329 nan 4.420 nan 0.000 0.281 124 P C -0.259 177.094 177.300 0.088 0.000 1.249 124 P CA -0.499 62.638 63.100 0.062 0.000 0.810 124 P CB 0.692 32.423 31.700 0.051 0.000 1.008 125 Q N 1.425 121.265 119.800 0.066 0.000 2.300 125 Q HA 0.365 4.709 4.340 0.007 0.000 0.280 125 Q C 0.249 176.310 176.000 0.102 0.000 1.033 125 Q CA -0.046 55.796 55.803 0.063 0.000 0.903 125 Q CB 0.078 28.814 28.738 -0.003 0.000 1.195 125 Q HN 0.618 nan 8.270 nan 0.000 0.386 126 G N 3.264 112.144 108.800 0.135 0.000 2.543 126 G HA2 0.470 4.434 3.960 0.007 0.000 0.290 126 G HA3 0.470 4.434 3.960 0.007 0.000 0.290 126 G C -0.834 174.159 174.900 0.156 0.000 1.310 126 G CA -0.673 44.517 45.100 0.150 0.000 1.025 126 G HN 0.668 nan 8.290 nan 0.000 0.502 127 I N 0.667 121.321 120.570 0.139 0.000 2.418 127 I HA 0.348 4.522 4.170 0.007 0.000 0.287 127 I C 1.063 177.244 176.117 0.107 0.000 1.008 127 I CA 0.074 61.450 61.300 0.127 0.000 1.104 127 I CB 0.654 38.717 38.000 0.105 0.000 1.264 127 I HN 0.954 nan 8.210 nan 0.000 0.438 128 G N 5.048 113.915 108.800 0.111 0.000 2.424 128 G HA2 0.028 3.992 3.960 0.007 0.000 0.294 128 G HA3 0.028 3.992 3.960 0.007 0.000 0.294 128 G C 0.530 175.480 174.900 0.083 0.000 0.939 128 G CA 0.697 45.847 45.100 0.083 0.000 1.143 128 G HN 1.462 nan 8.290 nan 0.000 0.507 129 G N -2.846 106.026 108.800 0.120 0.000 2.333 129 G HA2 0.459 4.423 3.960 0.007 0.000 0.330 129 G HA3 0.459 4.423 3.960 0.007 0.000 0.330 129 G C -0.845 174.145 174.900 0.151 0.000 1.465 129 G CA -0.205 44.968 45.100 0.122 0.000 0.996 129 G HN 1.238 nan 8.290 nan 0.000 0.655 130 V N 1.519 121.530 119.914 0.162 0.000 2.481 130 V HA 0.532 4.656 4.120 0.007 0.000 0.286 130 V C -1.937 174.247 176.094 0.150 0.000 1.042 130 V CA -1.479 60.929 62.300 0.180 0.000 0.928 130 V CB 1.898 33.850 31.823 0.215 0.000 0.986 130 V HN 0.576 nan 8.190 nan 0.000 0.462 131 P HA 0.204 nan 4.420 nan 0.000 0.276 131 P C -0.562 176.803 177.300 0.107 0.000 1.253 131 P CA -0.163 63.020 63.100 0.138 0.000 0.766 131 P CB 0.215 32.003 31.700 0.147 0.000 0.845 132 I N 4.305 124.957 120.570 0.137 0.000 2.363 132 I HA 0.190 4.364 4.170 0.007 0.000 0.292 132 I C 1.093 177.289 176.117 0.132 0.000 1.075 132 I CA 0.480 61.876 61.300 0.160 0.000 1.333 132 I CB -0.217 37.930 38.000 0.244 0.000 1.415 132 I HN 0.370 nan 8.210 nan 0.000 0.502 133 T N 3.025 117.622 114.554 0.072 0.000 2.865 133 T HA 0.433 4.787 4.350 0.007 0.000 0.294 133 T C 0.934 175.651 174.700 0.029 0.000 1.119 133 T CA -0.828 61.288 62.100 0.026 0.000 1.007 133 T CB 2.388 71.225 68.868 -0.052 0.000 1.225 133 T HN 0.563 nan 8.240 nan 0.000 0.515 134 R N 0.342 120.841 120.500 -0.001 0.000 2.092 134 R HA -0.008 4.336 4.340 0.007 0.000 0.231 134 R C 2.270 178.590 176.300 0.033 0.000 1.119 134 R CA 1.493 57.613 56.100 0.033 0.000 0.970 134 R CB -0.274 30.027 30.300 0.002 0.000 0.864 134 R HN 0.763 nan 8.270 nan 0.000 0.440 135 K N 0.444 120.793 120.400 -0.086 0.000 1.978 135 K HA -0.254 4.070 4.320 0.007 0.000 0.214 135 K C 2.237 178.785 176.600 -0.087 0.000 1.049 135 K CA 1.958 58.240 56.287 -0.009 0.000 0.939 135 K CB -0.244 32.210 32.500 -0.077 0.000 0.721 135 K HN 0.108 nan 8.250 nan 0.000 0.441 136 Q N 0.783 120.395 119.800 -0.313 0.000 2.082 136 Q HA -0.211 4.133 4.340 0.007 0.000 0.211 136 Q C 2.007 177.908 176.000 -0.165 0.000 1.002 136 Q CA 2.441 57.928 55.803 -0.528 0.000 0.868 136 Q CB -0.486 27.907 28.738 -0.575 0.000 0.931 136 Q HN 0.298 nan 8.270 nan 0.000 0.414 137 V N 1.233 121.126 119.914 -0.034 0.000 2.343 137 V HA -0.272 3.852 4.120 0.007 0.000 0.247 137 V C 2.685 178.732 176.094 -0.078 0.000 1.051 137 V CA 2.278 64.579 62.300 0.001 0.000 1.036 137 V CB -0.573 31.327 31.823 0.127 0.000 0.654 137 V HN 0.373 nan 8.190 nan 0.000 0.451 138 R N -0.100 120.417 120.500 0.029 0.000 2.073 138 R HA -0.136 4.208 4.340 0.007 0.000 0.234 138 R C 2.465 178.674 176.300 -0.151 0.000 1.134 138 R CA 1.489 57.623 56.100 0.056 0.000 0.952 138 R CB -0.684 29.750 30.300 0.223 0.000 0.850 138 R HN 0.538 nan 8.270 nan 0.000 0.433 139 A N 1.226 124.004 122.820 -0.070 0.000 1.873 139 A HA -0.268 4.056 4.320 0.007 0.000 0.218 139 A C 2.067 179.603 177.584 -0.080 0.000 1.193 139 A CA 1.576 53.590 52.037 -0.038 0.000 0.629 139 A CB -0.516 18.602 19.000 0.197 0.000 0.826 139 A HN 0.370 nan 8.150 nan 0.000 0.447 140 Q N -1.736 118.027 119.800 -0.061 0.000 2.172 140 Q HA -0.122 4.222 4.340 0.007 0.000 0.200 140 Q C 2.293 178.126 176.000 -0.279 0.000 0.964 140 Q CA 1.326 57.080 55.803 -0.081 0.000 0.855 140 Q CB -0.078 28.684 28.738 0.041 0.000 0.918 140 Q HN 0.585 nan 8.270 nan 0.000 0.444 141 R N 1.459 121.709 120.500 -0.417 0.000 2.148 141 R HA -0.074 4.270 4.340 0.007 0.000 0.223 141 R C 1.875 178.048 176.300 -0.212 0.000 1.088 141 R CA 1.354 57.236 56.100 -0.363 0.000 0.985 141 R CB -0.001 30.157 30.300 -0.238 0.000 0.880 141 R HN 0.026 nan 8.270 nan 0.000 0.451 142 K N -0.426 119.704 120.400 -0.451 0.000 2.007 142 K HA 0.000 4.324 4.320 0.007 0.000 0.206 142 K C 1.912 178.374 176.600 -0.232 0.000 1.047 142 K CA 1.168 57.094 56.287 -0.602 0.000 0.937 142 K CB -0.285 31.553 32.500 -1.103 0.000 0.718 142 K HN 0.179 nan 8.250 nan 0.000 0.438 143 A N 1.795 124.514 122.820 -0.169 0.000 1.903 143 A HA -0.205 4.118 4.320 0.007 0.000 0.219 143 A C 2.143 179.712 177.584 -0.025 0.000 1.191 143 A CA 1.693 53.693 52.037 -0.063 0.000 0.638 143 A CB -0.944 18.045 19.000 -0.019 0.000 0.823 143 A HN 0.395 nan 8.150 nan 0.000 0.451 144 L N -0.647 120.559 121.223 -0.028 0.000 2.261 144 L HA -0.189 4.155 4.340 0.007 0.000 0.216 144 L C 1.577 178.450 176.870 0.005 0.000 1.114 144 L CA 1.161 56.006 54.840 0.009 0.000 0.777 144 L CB -0.427 41.646 42.059 0.023 0.000 0.910 144 L HN 0.359 nan 8.230 nan 0.000 0.440 145 D N -0.636 119.762 120.400 -0.002 0.000 2.289 145 D HA -0.037 4.607 4.640 0.007 0.000 0.207 145 D C 2.277 178.587 176.300 0.018 0.000 0.966 145 D CA 0.726 54.740 54.000 0.023 0.000 0.868 145 D CB 0.260 41.109 40.800 0.081 0.000 0.943 145 D HN 0.288 nan 8.370 nan 0.000 0.514 146 L N 0.269 121.499 121.223 0.013 0.000 2.034 146 L HA -0.007 4.337 4.340 0.007 0.000 0.203 146 L C 2.494 179.380 176.870 0.027 0.000 1.074 146 L CA 0.599 55.451 54.840 0.020 0.000 0.748 146 L CB -0.430 41.641 42.059 0.019 0.000 0.905 146 L HN -0.053 nan 8.230 nan 0.000 0.439 147 I N 0.765 121.360 120.570 0.042 0.000 2.185 147 I HA -0.350 3.824 4.170 0.007 0.000 0.246 147 I C 2.666 178.790 176.117 0.011 0.000 1.088 147 I CA 2.044 63.382 61.300 0.064 0.000 1.347 147 I CB -0.523 37.531 38.000 0.090 0.000 1.041 147 I HN 0.493 nan 8.210 nan 0.000 0.415 148 E N 1.049 121.246 120.200 -0.007 0.000 2.285 148 E HA -0.229 4.125 4.350 0.007 0.000 0.194 148 E C 1.890 178.456 176.600 -0.056 0.000 0.997 148 E CA 0.885 57.259 56.400 -0.042 0.000 0.845 148 E CB -0.276 29.399 29.700 -0.042 0.000 0.782 148 E HN 0.581 nan 8.360 nan 0.000 0.491 149 E N 1.142 121.322 120.200 -0.033 0.000 2.112 149 E HA -0.196 4.158 4.350 0.007 0.000 0.190 149 E C 2.075 178.644 176.600 -0.051 0.000 0.979 149 E CA 0.970 57.349 56.400 -0.036 0.000 0.814 149 E CB 0.140 29.832 29.700 -0.013 0.000 0.762 149 E HN 0.450 nan 8.360 nan 0.000 0.460 150 E N 0.229 120.403 120.200 -0.043 0.000 2.047 150 E HA -0.155 4.199 4.350 0.007 0.000 0.191 150 E C 1.998 178.474 176.600 -0.207 0.000 0.987 150 E CA 1.756 58.120 56.400 -0.059 0.000 0.799 150 E CB 0.079 29.807 29.700 0.047 0.000 0.752 150 E HN 0.224 nan 8.360 nan 0.000 0.449 151 V N -2.222 117.519 119.914 -0.289 0.000 3.306 151 V HA 0.302 4.426 4.120 0.007 0.000 0.264 151 V C 1.407 177.334 176.094 -0.279 0.000 1.149 151 V CA 0.612 62.642 62.300 -0.451 0.000 1.143 151 V CB -0.499 31.018 31.823 -0.509 0.000 0.767 151 V HN 0.414 nan 8.190 nan 0.000 0.476 152 G N 0.316 109.007 108.800 -0.181 0.000 2.225 152 G HA2 -0.256 3.708 3.960 0.007 0.000 0.264 152 G HA3 -0.256 3.708 3.960 0.007 0.000 0.264 152 G C 0.070 174.901 174.900 -0.114 0.000 1.060 152 G CA 0.493 45.515 45.100 -0.130 0.000 0.833 152 G HN 0.807 nan 8.290 nan 0.000 0.498 153 R N -0.419 120.013 120.500 -0.113 0.000 2.536 153 R HA 0.390 4.734 4.340 0.007 0.000 0.269 153 R C -3.072 173.168 176.300 -0.100 0.000 1.113 153 R CA -1.723 54.317 56.100 -0.101 0.000 0.948 153 R CB 1.927 32.165 30.300 -0.103 0.000 1.237 153 R HN 0.016 nan 8.270 nan 0.000 0.441 154 P HA 0.185 nan 4.420 nan 0.000 0.267 154 P C -0.567 176.644 177.300 -0.149 0.000 1.205 154 P CA 0.188 63.215 63.100 -0.122 0.000 0.765 154 P CB 0.422 32.035 31.700 -0.146 0.000 0.828 155 I N 3.419 123.918 120.570 -0.119 0.000 2.362 155 I HA 0.217 4.391 4.170 0.007 0.000 0.289 155 I C 0.433 176.475 176.117 -0.124 0.000 0.994 155 I CA -0.673 60.563 61.300 -0.106 0.000 1.158 155 I CB 0.918 38.904 38.000 -0.024 0.000 1.315 155 I HN 0.178 nan 8.210 nan 0.000 0.451 156 N N 5.758 124.311 118.700 -0.245 0.000 2.470 156 N HA 0.089 4.833 4.740 0.007 0.000 0.268 156 N C -0.865 174.687 175.510 0.070 0.000 1.136 156 N CA -0.049 52.842 53.050 -0.265 0.000 0.961 156 N CB 1.160 39.124 38.487 -0.871 0.000 1.067 156 N HN 0.446 nan 8.380 nan 0.000 0.468 157 Y N 1.605 121.910 120.300 0.008 0.000 2.376 157 Y HA 0.316 4.869 4.550 0.006 0.000 0.325 157 Y C -0.369 175.614 175.900 0.138 0.000 1.199 157 Y CA -0.390 57.753 58.100 0.072 0.000 1.206 157 Y CB 0.877 39.337 38.460 -0.000 0.000 1.229 157 Y HN 0.627 nan 8.280 nan 0.000 0.480 158 H N 2.278 120.981 119.070 -0.612 0.000 3.151 158 H HA 0.480 5.040 4.556 0.007 0.000 0.333 158 H C -1.427 173.575 175.328 -0.543 0.000 1.093 158 H CA -0.144 55.699 56.048 -0.343 0.000 1.342 158 H CB 1.387 31.204 29.762 0.091 0.000 1.983 158 H HN 0.737 nan 8.280 nan 0.000 0.503 159 S N 2.561 117.953 115.700 -0.513 0.000 3.070 159 S HA 0.468 4.941 4.470 0.007 0.000 0.320 159 S C -1.903 172.503 174.600 -0.323 0.000 1.215 159 S CA -0.579 57.389 58.200 -0.386 0.000 0.956 159 S CB 0.541 63.600 63.200 -0.234 0.000 1.337 159 S HN 0.431 nan 8.310 nan 0.000 0.639 160 Y N 0.455 120.859 120.300 0.174 0.000 2.409 160 Y HA 0.550 5.104 4.550 0.006 0.000 0.339 160 Y C 0.968 176.969 175.900 0.169 0.000 1.033 160 Y CA -0.496 57.683 58.100 0.132 0.000 1.094 160 Y CB 1.705 40.147 38.460 -0.029 0.000 1.210 160 Y HN 0.318 nan 8.280 nan 0.000 0.456 161 V N 0.044 120.105 119.914 0.245 0.000 2.788 161 V HA -0.062 4.062 4.120 0.007 0.000 0.241 161 V C 0.512 176.621 176.094 0.025 0.000 1.083 161 V CA 0.567 62.904 62.300 0.061 0.000 1.103 161 V CB -0.288 31.556 31.823 0.036 0.000 0.800 161 V HN 0.886 nan 8.190 nan 0.000 0.476 162 S N 0.855 116.590 115.700 0.058 0.000 2.572 162 S HA 0.280 4.754 4.470 0.007 0.000 0.305 162 S C 0.488 175.089 174.600 0.002 0.000 1.264 162 S CA 0.552 58.776 58.200 0.040 0.000 1.029 162 S CB -0.488 62.745 63.200 0.055 0.000 0.734 162 S HN 1.542 nan 8.310 nan 0.000 0.478 163 G N -0.208 108.584 108.800 -0.013 0.000 2.384 163 G HA2 0.094 4.058 3.960 0.007 0.000 0.668 163 G HA3 0.094 4.058 3.960 0.007 0.000 0.668 163 G C 0.237 175.103 174.900 -0.056 0.000 1.280 163 G CA 0.132 45.184 45.100 -0.079 0.000 0.992 163 G HN 1.993 nan 8.290 nan 0.000 0.512 164 V N -3.013 116.874 119.914 -0.046 0.000 3.041 164 V HA 0.506 4.630 4.120 0.007 0.000 0.260 164 V C 1.872 177.975 176.094 0.016 0.000 1.105 164 V CA 2.390 64.691 62.300 0.001 0.000 1.125 164 V CB -0.025 31.822 31.823 0.040 0.000 0.730 164 V HN 2.341 nan 8.190 nan 0.000 0.479 165 A N 0.452 123.277 122.820 0.008 0.000 2.911 165 A HA 0.696 5.020 4.320 0.007 0.000 0.304 165 A C 1.681 179.249 177.584 -0.027 0.000 1.144 165 A CA 0.360 52.402 52.037 0.008 0.000 0.988 165 A CB -0.475 18.542 19.000 0.029 0.000 1.141 165 A HN 0.509 nan 8.150 nan 0.000 0.552 166 G N 1.881 110.663 108.800 -0.031 0.000 2.721 166 G HA2 -0.226 3.738 3.960 0.007 0.000 0.218 166 G HA3 -0.226 3.738 3.960 0.007 0.000 0.218 166 G C -0.328 174.534 174.900 -0.063 0.000 1.265 166 G CA 1.662 46.732 45.100 -0.051 0.000 0.796 166 G HN 0.451 nan 8.290 nan 0.000 0.620 167 P HA -0.061 nan 4.420 nan 0.000 0.217 167 P C 0.940 178.218 177.300 -0.036 0.000 1.148 167 P CA 1.660 64.751 63.100 -0.015 0.000 0.828 167 P CB -0.129 31.587 31.700 0.026 0.000 0.783 168 D N -0.796 119.580 120.400 -0.040 0.000 2.097 168 D HA -0.116 4.528 4.640 0.007 0.000 0.197 168 D C 2.064 178.297 176.300 -0.110 0.000 0.984 168 D CA 0.892 54.863 54.000 -0.048 0.000 0.826 168 D CB -1.031 39.754 40.800 -0.025 0.000 0.973 168 D HN 0.178 nan 8.370 nan 0.000 0.460 169 I N 1.269 121.729 120.570 -0.182 0.000 2.090 169 I HA -0.291 3.883 4.170 0.007 0.000 0.236 169 I C 2.492 178.292 176.117 -0.527 0.000 1.064 169 I CA 1.209 62.267 61.300 -0.403 0.000 1.324 169 I CB -0.470 37.245 38.000 -0.475 0.000 1.044 169 I HN -0.029 nan 8.210 nan 0.000 0.399 170 A N 0.361 122.963 122.820 -0.363 0.000 1.971 170 A HA -0.234 4.090 4.320 0.007 0.000 0.222 170 A C 2.435 179.997 177.584 -0.036 0.000 1.182 170 A CA 2.243 54.179 52.037 -0.169 0.000 0.649 170 A CB -1.151 17.822 19.000 -0.044 0.000 0.818 170 A HN 0.320 nan 8.150 nan 0.000 0.458 171 V N -0.429 119.452 119.914 -0.054 0.000 2.307 171 V HA -0.269 3.855 4.120 0.007 0.000 0.245 171 V C 2.550 178.667 176.094 0.039 0.000 1.045 171 V CA 2.112 64.405 62.300 -0.012 0.000 1.024 171 V CB -0.489 31.316 31.823 -0.031 0.000 0.651 171 V HN 0.717 nan 8.190 nan 0.000 0.449 172 M N -1.075 118.540 119.600 0.024 0.000 2.159 172 M HA -0.168 4.316 4.480 0.007 0.000 0.263 172 M C 2.160 178.648 176.300 0.314 0.000 1.063 172 M CA 2.112 57.483 55.300 0.120 0.000 1.110 172 M CB -0.425 32.224 32.600 0.083 0.000 1.374 172 M HN 0.316 nan 8.290 nan 0.000 0.411 173 F N 0.736 120.743 119.950 0.094 0.000 2.075 173 F HA -0.074 4.457 4.527 0.007 0.000 0.297 173 F C 2.830 178.712 175.800 0.138 0.000 1.113 173 F CA 1.193 59.264 58.000 0.118 0.000 1.218 173 F CB -1.775 37.285 39.000 0.100 0.000 0.984 173 F HN 0.228 nan 8.300 nan 0.000 0.472 174 A N -0.213 122.826 122.820 0.364 0.000 1.978 174 A HA -0.212 4.112 4.320 0.007 0.000 0.220 174 A C 2.115 179.893 177.584 0.323 0.000 1.170 174 A CA 1.827 54.076 52.037 0.353 0.000 0.636 174 A CB -0.786 18.435 19.000 0.369 0.000 0.810 174 A HN 0.455 nan 8.150 nan 0.000 0.448 175 E N -0.299 120.039 120.200 0.231 0.000 2.072 175 E HA -0.109 4.245 4.350 0.007 0.000 0.190 175 E C 1.152 177.848 176.600 0.159 0.000 0.982 175 E CA 1.106 57.614 56.400 0.180 0.000 0.803 175 E CB -0.022 29.754 29.700 0.126 0.000 0.755 175 E HN 0.496 nan 8.360 nan 0.000 0.453 176 E N -0.357 119.948 120.200 0.175 0.000 2.437 176 E HA 0.104 4.458 4.350 0.007 0.000 0.189 176 E C 0.573 177.236 176.600 0.105 0.000 1.054 176 E CA 0.413 56.897 56.400 0.140 0.000 0.874 176 E CB 0.758 30.558 29.700 0.167 0.000 1.011 176 E HN 0.338 nan 8.360 nan 0.000 0.474 177 G N 1.251 110.117 108.800 0.110 0.000 2.225 177 G HA2 -0.279 3.685 3.960 0.007 0.000 0.264 177 G HA3 -0.279 3.685 3.960 0.007 0.000 0.264 177 G C 0.420 175.363 174.900 0.072 0.000 1.060 177 G CA 0.326 45.471 45.100 0.075 0.000 0.833 177 G HN 0.190 nan 8.290 nan 0.000 0.498 178 V N -0.434 119.536 119.914 0.093 0.000 2.924 178 V HA 0.254 4.378 4.120 0.007 0.000 0.305 178 V C 1.383 177.533 176.094 0.093 0.000 1.073 178 V CA 1.005 63.363 62.300 0.095 0.000 1.098 178 V CB 1.413 33.149 31.823 -0.145 0.000 1.000 178 V HN 0.499 nan 8.190 nan 0.000 0.484 179 N N 0.832 119.600 118.700 0.113 0.000 2.460 179 N HA 0.295 5.039 4.740 0.007 0.000 0.193 179 N C 0.368 176.005 175.510 0.212 0.000 1.080 179 N CA 0.562 53.704 53.050 0.153 0.000 0.869 179 N CB 0.547 39.107 38.487 0.123 0.000 1.201 179 N HN 0.774 nan 8.380 nan 0.000 0.457 180 G N -0.690 108.186 108.800 0.127 0.000 2.612 180 G HA2 0.793 4.757 3.960 0.007 0.000 0.298 180 G HA3 0.793 4.757 3.960 0.007 0.000 0.298 180 G C -1.777 172.788 174.900 -0.558 0.000 1.336 180 G CA -0.558 44.504 45.100 -0.063 0.000 0.953 180 G HN 0.183 nan 8.290 nan 0.000 0.482 181 A N 0.822 123.359 122.820 -0.472 0.000 2.488 181 A HA 0.675 4.999 4.320 0.007 0.000 0.298 181 A C -1.045 176.432 177.584 -0.178 0.000 1.044 181 A CA -0.785 51.012 52.037 -0.401 0.000 0.693 181 A CB 0.988 20.012 19.000 0.040 0.000 1.272 181 A HN 0.798 nan 8.150 nan 0.000 0.402 182 H N 1.529 120.508 119.070 -0.152 0.000 3.004 182 H HA 0.391 4.951 4.556 0.007 0.000 0.316 182 H C -0.002 175.366 175.328 0.067 0.000 1.014 182 H CA 1.530 57.617 56.048 0.065 0.000 1.454 182 H CB 0.529 30.437 29.762 0.243 0.000 1.472 182 H HN 0.469 nan 8.280 nan 0.000 0.571 183 Q N 3.003 122.871 119.800 0.113 0.000 2.334 183 Q HA 0.189 4.532 4.340 0.007 0.000 0.249 183 Q C -1.789 174.235 176.000 0.039 0.000 0.909 183 Q CA -0.591 55.255 55.803 0.071 0.000 0.823 183 Q CB 1.780 30.548 28.738 0.049 0.000 1.353 183 Q HN 0.728 nan 8.270 nan 0.000 0.433 184 D N 5.355 125.765 120.400 0.017 0.000 2.365 184 D HA 0.256 4.900 4.640 0.007 0.000 0.235 184 D C -1.896 174.336 176.300 -0.114 0.000 1.368 184 D CA -1.445 52.538 54.000 -0.029 0.000 1.001 184 D CB 1.900 42.717 40.800 0.028 0.000 1.364 184 D HN 0.144 nan 8.370 nan 0.000 0.577 185 P HA -0.233 nan 4.420 nan 0.000 0.215 185 P C 1.246 178.254 177.300 -0.487 0.000 1.157 185 P CA 1.327 64.042 63.100 -0.642 0.000 0.874 185 P CB 0.476 31.266 31.700 -1.517 0.000 0.790 186 Q N -1.398 118.183 119.800 -0.365 0.000 2.173 186 Q HA -0.242 4.102 4.340 0.007 0.000 0.208 186 Q C 2.343 178.305 176.000 -0.063 0.000 0.989 186 Q CA 1.655 57.386 55.803 -0.121 0.000 0.872 186 Q CB -0.916 27.773 28.738 -0.081 0.000 0.909 186 Q HN 0.323 nan 8.270 nan 0.000 0.420 187 Y N 2.324 122.581 120.300 -0.071 0.000 2.097 187 Y HA -0.274 4.280 4.550 0.006 0.000 0.282 187 Y C 1.860 177.765 175.900 0.008 0.000 1.152 187 Y CA 1.864 60.012 58.100 0.081 0.000 1.136 187 Y CB -0.279 38.218 38.460 0.062 0.000 0.975 187 Y HN 0.130 nan 8.280 nan 0.000 0.498 188 N N 0.063 118.756 118.700 -0.010 0.000 2.137 188 N HA -0.187 4.556 4.740 0.007 0.000 0.190 188 N C 1.886 177.293 175.510 -0.171 0.000 1.017 188 N CA 1.770 54.748 53.050 -0.121 0.000 0.859 188 N CB -0.748 37.694 38.487 -0.075 0.000 1.002 188 N HN 0.354 nan 8.380 nan 0.000 0.428 189 V N 1.628 121.456 119.914 -0.144 0.000 2.249 189 V HA -0.117 4.007 4.120 0.007 0.000 0.239 189 V C 2.501 178.471 176.094 -0.207 0.000 1.038 189 V CA 1.112 63.352 62.300 -0.100 0.000 1.005 189 V CB -0.757 31.093 31.823 0.046 0.000 0.646 189 V HN 0.123 nan 8.190 nan 0.000 0.455 190 L N -1.147 119.863 121.223 -0.355 0.000 1.989 190 L HA -0.217 4.127 4.340 0.007 0.000 0.211 190 L C 2.501 179.043 176.870 -0.548 0.000 1.071 190 L CA 2.012 56.522 54.840 -0.551 0.000 0.749 190 L CB -0.664 40.821 42.059 -0.957 0.000 0.890 190 L HN 0.364 nan 8.230 nan 0.000 0.431 191 Y N -1.723 118.386 120.300 -0.318 0.000 2.497 191 Y HA 0.122 4.676 4.550 0.007 0.000 0.265 191 Y C 2.254 177.942 175.900 -0.352 0.000 1.111 191 Y CA 0.115 57.992 58.100 -0.372 0.000 1.288 191 Y CB 0.150 38.272 38.460 -0.564 0.000 1.082 191 Y HN -0.027 nan 8.280 nan 0.000 0.536 192 R N -0.268 120.086 120.500 -0.243 0.000 2.487 192 R HA 0.118 4.462 4.340 0.007 0.000 0.272 192 R C -0.091 176.199 176.300 -0.017 0.000 0.928 192 R CA 0.028 56.052 56.100 -0.128 0.000 1.077 192 R CB -0.140 30.016 30.300 -0.240 0.000 1.265 192 R HN 0.154 nan 8.270 nan 0.000 0.537 193 N N 1.207 119.867 118.700 -0.067 0.000 2.738 193 N HA -0.195 4.549 4.740 0.007 0.000 0.249 193 N C -1.107 174.403 175.510 0.000 0.000 1.047 193 N CA 0.376 53.407 53.050 -0.030 0.000 0.707 193 N CB -1.409 37.074 38.487 -0.006 0.000 0.937 193 N HN 0.264 nan 8.380 nan 0.000 0.545 194 I N 1.101 121.657 120.570 -0.024 0.000 2.304 194 I HA 0.111 4.285 4.170 0.007 0.000 0.291 194 I C 1.075 177.189 176.117 -0.005 0.000 1.018 194 I CA -0.637 60.659 61.300 -0.007 0.000 1.260 194 I CB 0.864 38.844 38.000 -0.032 0.000 1.390 194 I HN 0.270 nan 8.210 nan 0.000 0.475 195 N N 7.446 126.143 118.700 -0.004 0.000 1.807 195 N HA -0.171 4.573 4.740 0.007 0.000 0.325 195 N C 1.301 176.818 175.510 0.012 0.000 1.287 195 N CA 0.316 53.355 53.050 -0.018 0.000 0.790 195 N CB 0.566 39.033 38.487 -0.034 0.000 1.020 195 N HN 0.711 nan 8.380 nan 0.000 0.505 196 M N 3.685 123.293 119.600 0.012 0.000 2.296 196 M HA -0.120 4.364 4.480 0.007 0.000 0.265 196 M C 1.310 177.723 176.300 0.189 0.000 1.064 196 M CA 1.428 56.835 55.300 0.179 0.000 1.109 196 M CB -0.152 32.598 32.600 0.249 0.000 1.396 196 M HN 0.482 nan 8.290 nan 0.000 0.430 197 I N 0.390 120.893 120.570 -0.111 0.000 2.333 197 I HA -0.119 4.055 4.170 0.007 0.000 0.246 197 I C 2.767 178.930 176.117 0.076 0.000 1.106 197 I CA 0.995 62.247 61.300 -0.079 0.000 1.411 197 I CB -0.578 37.285 38.000 -0.227 0.000 1.082 197 I HN 0.297 nan 8.210 nan 0.000 0.420 198 R N 1.491 122.010 120.500 0.031 0.000 2.083 198 R HA -0.197 4.147 4.340 0.007 0.000 0.237 198 R C 2.413 178.757 176.300 0.074 0.000 1.137 198 R CA 2.291 58.421 56.100 0.049 0.000 0.951 198 R CB -0.928 29.387 30.300 0.024 0.000 0.851 198 R HN 0.222 nan 8.270 nan 0.000 0.434 199 S N -1.139 114.604 115.700 0.073 0.000 2.370 199 S HA -0.125 4.349 4.470 0.007 0.000 0.226 199 S C 1.622 176.169 174.600 -0.088 0.000 1.033 199 S CA 1.478 59.666 58.200 -0.020 0.000 1.011 199 S CB -0.343 62.820 63.200 -0.062 0.000 0.852 199 S HN 0.455 nan 8.310 nan 0.000 0.457 200 F N 0.701 120.659 119.950 0.012 0.000 2.473 200 F HA 0.355 4.886 4.527 0.007 0.000 0.294 200 F C 1.861 177.694 175.800 0.056 0.000 1.103 200 F CA 0.279 58.259 58.000 -0.034 0.000 1.442 200 F CB -0.127 38.840 39.000 -0.055 0.000 1.097 200 F HN 0.199 nan 8.300 nan 0.000 0.547 201 I N -0.497 120.214 120.570 0.234 0.000 2.439 201 I HA -0.209 3.964 4.170 0.007 0.000 0.251 201 I C 1.834 178.015 176.117 0.106 0.000 1.139 201 I CA 0.898 62.300 61.300 0.171 0.000 1.438 201 I CB -0.327 37.763 38.000 0.150 0.000 1.085 201 I HN -0.021 nan 8.210 nan 0.000 0.427 202 D N 1.292 121.737 120.400 0.074 0.000 2.097 202 D HA -0.151 4.493 4.640 0.007 0.000 0.195 202 D C 2.305 178.615 176.300 0.017 0.000 0.989 202 D CA 1.619 55.643 54.000 0.040 0.000 0.827 202 D CB -0.125 40.684 40.800 0.015 0.000 0.966 202 D HN 0.313 nan 8.370 nan 0.000 0.456 203 A N 0.455 123.275 122.820 -0.000 0.000 1.883 203 A HA -0.228 4.096 4.320 0.007 0.000 0.217 203 A C 2.604 180.214 177.584 0.044 0.000 1.186 203 A CA 1.581 53.629 52.037 0.019 0.000 0.624 203 A CB -1.157 17.824 19.000 -0.031 0.000 0.822 203 A HN 0.369 nan 8.150 nan 0.000 0.444 204 C N -1.130 118.177 119.300 0.011 0.000 2.385 204 C HA -0.165 4.299 4.460 0.007 0.000 0.275 204 C C 2.762 177.581 174.990 -0.285 0.000 1.199 204 C CA 1.795 60.572 59.018 -0.401 0.000 1.782 204 C CB -1.047 26.307 27.740 -0.644 0.000 2.068 204 C HN 0.797 nan 8.230 nan 0.000 0.471 205 E N 0.653 120.810 120.200 -0.071 0.000 2.060 205 E HA -0.077 4.277 4.350 0.007 0.000 0.189 205 E C 2.229 178.841 176.600 0.020 0.000 0.974 205 E CA 1.533 57.941 56.400 0.014 0.000 0.808 205 E CB -0.175 29.555 29.700 0.051 0.000 0.768 205 E HN 0.568 nan 8.360 nan 0.000 0.453 206 S N 0.896 116.602 115.700 0.010 0.000 2.359 206 S HA -0.212 4.262 4.470 0.007 0.000 0.222 206 S C 1.830 176.447 174.600 0.029 0.000 1.038 206 S CA 1.623 59.832 58.200 0.014 0.000 1.051 206 S CB -0.365 62.837 63.200 0.003 0.000 0.944 206 S HN 0.239 nan 8.310 nan 0.000 0.433 207 K N 0.332 120.739 120.400 0.012 0.000 2.280 207 K HA -0.029 4.295 4.320 0.007 0.000 0.202 207 K C 2.147 178.766 176.600 0.032 0.000 1.047 207 K CA 1.272 57.569 56.287 0.016 0.000 0.942 207 K CB -0.294 32.196 32.500 -0.016 0.000 0.739 207 K HN 0.298 nan 8.250 nan 0.000 0.457 208 T N 1.151 115.725 114.554 0.033 0.000 2.896 208 T HA -0.002 4.352 4.350 0.007 0.000 0.263 208 T C 1.764 176.551 174.700 0.144 0.000 1.050 208 T CA 0.734 62.893 62.100 0.097 0.000 1.140 208 T CB -0.014 68.937 68.868 0.137 0.000 0.877 208 T HN 0.069 nan 8.240 nan 0.000 0.457 209 I N 0.910 121.549 120.570 0.115 0.000 2.394 209 I HA -0.085 4.089 4.170 0.007 0.000 0.251 209 I C 2.329 178.591 176.117 0.241 0.000 1.136 209 I CA 1.197 62.581 61.300 0.140 0.000 1.425 209 I CB -0.308 37.733 38.000 0.069 0.000 1.079 209 I HN 0.234 nan 8.210 nan 0.000 0.425 210 M N -0.343 119.361 119.600 0.174 0.000 2.200 210 M HA -0.095 4.389 4.480 0.007 0.000 0.265 210 M C 2.461 178.856 176.300 0.158 0.000 1.066 210 M CA 1.502 56.903 55.300 0.167 0.000 1.127 210 M CB -0.375 32.290 32.600 0.108 0.000 1.379 210 M HN 0.302 nan 8.290 nan 0.000 0.420 211 A N -0.490 122.419 122.820 0.149 0.000 1.972 211 A HA -0.214 4.110 4.320 0.007 0.000 0.219 211 A C 1.852 179.537 177.584 0.168 0.000 1.169 211 A CA 1.200 53.313 52.037 0.127 0.000 0.635 211 A CB -1.091 17.975 19.000 0.109 0.000 0.810 211 A HN 0.790 nan 8.150 nan 0.000 0.446 212 W N 0.520 121.847 121.300 0.045 0.000 2.388 212 W HA 0.053 4.717 4.660 0.006 0.000 0.294 212 W C 1.880 178.425 176.519 0.043 0.000 1.212 212 W CA 1.514 58.886 57.345 0.045 0.000 1.271 212 W CB 0.059 29.550 29.460 0.051 0.000 1.126 212 W HN 0.273 nan 8.180 nan 0.000 0.535 213 A N 0.330 123.262 122.820 0.186 0.000 2.302 213 A HA 0.072 4.396 4.320 0.007 0.000 0.219 213 A C 0.606 178.149 177.584 -0.068 0.000 1.243 213 A CA 0.843 52.861 52.037 -0.032 0.000 0.856 213 A CB -1.053 18.111 19.000 0.274 0.000 0.893 213 A HN 0.406 nan 8.150 nan 0.000 0.491 214 D N -1.067 119.296 120.400 -0.062 0.000 2.702 214 D HA -0.180 4.463 4.640 0.007 0.000 0.233 214 D C 0.191 176.505 176.300 0.023 0.000 1.164 214 D CA 0.919 54.904 54.000 -0.024 0.000 0.638 214 D CB -1.196 39.573 40.800 -0.052 0.000 1.041 214 D HN 0.581 nan 8.370 nan 0.000 0.422 215 M N 0.009 119.635 119.600 0.043 0.000 2.227 215 M HA 0.469 4.953 4.480 0.007 0.000 0.316 215 M C 0.758 177.037 176.300 -0.036 0.000 1.144 215 M CA -0.262 55.065 55.300 0.045 0.000 1.121 215 M CB 1.233 33.875 32.600 0.071 0.000 1.440 215 M HN 0.179 nan 8.290 nan 0.000 0.473 216 A N 1.849 124.588 122.820 -0.136 0.000 2.306 216 A HA 0.445 4.769 4.320 0.007 0.000 0.314 216 A C -0.805 176.632 177.584 -0.245 0.000 1.164 216 A CA -0.541 51.276 52.037 -0.366 0.000 0.822 216 A CB 0.987 19.337 19.000 -1.083 0.000 1.130 216 A HN 0.775 nan 8.150 nan 0.000 0.496 217 Q N 1.720 121.412 119.800 -0.181 0.000 2.309 217 Q HA 0.669 5.013 4.340 0.007 0.000 0.264 217 Q C -1.656 174.270 176.000 -0.123 0.000 1.008 217 Q CA -0.451 55.287 55.803 -0.108 0.000 0.853 217 Q CB 1.262 29.981 28.738 -0.032 0.000 1.314 217 Q HN 0.724 nan 8.270 nan 0.000 0.448 218 I N 3.534 124.008 120.570 -0.160 0.000 2.466 218 I HA 0.203 4.377 4.170 0.007 0.000 0.289 218 I C -0.213 175.811 176.117 -0.154 0.000 1.026 218 I CA -0.996 60.172 61.300 -0.220 0.000 1.078 218 I CB 1.760 39.462 38.000 -0.497 0.000 1.249 218 I HN 0.725 nan 8.210 nan 0.000 0.429 224 A N 1.435 124.209 122.820 -0.078 0.000 1.917 224 A HA -0.162 4.162 4.320 0.007 0.000 0.219 224 A C 2.078 179.598 177.584 -0.107 0.000 1.182 224 A CA 2.116 54.059 52.037 -0.157 0.000 0.633 224 A CB -0.993 17.718 19.000 -0.482 0.000 0.819 224 A HN 0.884 nan 8.150 nan 0.000 0.448 225 H N -0.588 118.511 119.070 0.048 0.000 2.554 225 H HA -0.071 4.489 4.556 0.007 0.000 0.290 225 H C 1.148 176.460 175.328 -0.026 0.000 1.058 225 H CA 1.212 57.284 56.048 0.040 0.000 1.224 225 H CB -0.619 29.180 29.762 0.062 0.000 1.359 225 H HN 0.502 nan 8.280 nan 0.000 0.589 226 N N 0.813 119.223 118.700 -0.484 0.000 2.376 226 N HA 0.037 4.781 4.740 0.007 0.000 0.177 226 N C 1.969 177.289 175.510 -0.317 0.000 1.024 226 N CA 0.915 53.672 53.050 -0.487 0.000 0.893 226 N CB 0.096 38.144 38.487 -0.731 0.000 0.980 226 N HN 0.528 nan 8.380 nan 0.000 0.439 227 A N 0.960 123.728 122.820 -0.086 0.000 2.016 227 A HA -0.042 4.282 4.320 0.007 0.000 0.217 227 A C 1.989 179.581 177.584 0.013 0.000 1.162 227 A CA 0.867 52.949 52.037 0.075 0.000 0.662 227 A CB -0.448 18.622 19.000 0.116 0.000 0.812 227 A HN 0.251 nan 8.150 nan 0.000 0.450 228 N N 0.671 119.357 118.700 -0.023 0.000 2.013 228 N HA -0.143 4.601 4.740 0.007 0.000 0.195 228 N C 1.999 177.467 175.510 -0.070 0.000 1.051 228 N CA 1.949 54.978 53.050 -0.036 0.000 0.851 228 N CB -0.379 38.100 38.487 -0.012 0.000 1.044 228 N HN 0.422 nan 8.380 nan 0.000 0.422 229 A N -0.006 122.762 122.820 -0.087 0.000 1.915 229 A HA -0.271 4.053 4.320 0.007 0.000 0.220 229 A C 2.199 179.738 177.584 -0.075 0.000 1.198 229 A CA 2.743 54.718 52.037 -0.102 0.000 0.647 229 A CB -1.499 17.429 19.000 -0.120 0.000 0.825 229 A HN 0.596 nan 8.150 nan 0.000 0.456 230 T N -2.793 111.737 114.554 -0.040 0.000 3.081 230 T HA 0.540 4.894 4.350 0.007 0.000 0.255 230 T C 0.826 175.541 174.700 0.024 0.000 1.113 230 T CA 0.461 62.575 62.100 0.024 0.000 1.082 230 T CB -0.429 68.527 68.868 0.147 0.000 0.939 230 T HN 0.755 nan 8.240 nan 0.000 0.506 231 A N 1.836 124.655 122.820 -0.002 0.000 2.407 231 A HA 0.487 4.811 4.320 0.007 0.000 0.248 231 A C 1.466 179.020 177.584 -0.049 0.000 1.082 231 A CA -0.665 51.357 52.037 -0.025 0.000 0.785 231 A CB 0.446 19.415 19.000 -0.051 0.000 1.020 231 A HN 0.134 nan 8.150 nan 0.000 0.489 232 R N 0.482 120.943 120.500 -0.066 0.000 2.115 232 R HA 0.013 4.357 4.340 0.007 0.000 0.226 232 R C -0.254 175.989 176.300 -0.095 0.000 1.100 232 R CA 1.152 57.217 56.100 -0.058 0.000 0.980 232 R CB -0.247 30.019 30.300 -0.056 0.000 0.875 232 R HN 0.840 nan 8.270 nan 0.000 0.445 233 E N -0.807 119.236 120.200 -0.261 0.000 2.502 233 E HA 0.337 4.691 4.350 0.007 0.000 0.261 233 E C -0.066 176.214 176.600 -0.532 0.000 0.974 233 E CA -0.109 55.942 56.400 -0.582 0.000 0.795 233 E CB 1.695 30.570 29.700 -1.375 0.000 1.385 233 E HN 0.025 nan 8.360 nan 0.000 0.400 234 A N 3.141 125.946 122.820 -0.024 0.000 1.940 234 A HA -0.229 4.094 4.320 0.007 0.000 0.221 234 A C 1.761 179.370 177.584 0.042 0.000 1.190 234 A CA 2.186 54.268 52.037 0.075 0.000 0.647 234 A CB -0.930 18.234 19.000 0.272 0.000 0.821 234 A HN 0.910 nan 8.150 nan 0.000 0.457 235 W N -0.455 120.874 121.300 0.049 0.000 2.465 235 W HA 0.040 4.704 4.660 0.006 0.000 0.268 235 W C 1.486 177.948 176.519 -0.094 0.000 1.242 235 W CA 1.053 58.381 57.345 -0.028 0.000 1.248 235 W CB -0.096 29.339 29.460 -0.041 0.000 1.118 235 W HN 0.159 nan 8.180 nan 0.000 0.587 236 K N 0.453 120.515 120.400 -0.563 0.000 2.305 236 K HA 0.024 4.347 4.320 0.007 0.000 0.199 236 K C 1.664 178.296 176.600 0.053 0.000 1.047 236 K CA 0.696 56.759 56.287 -0.373 0.000 0.976 236 K CB 0.035 32.256 32.500 -0.464 0.000 0.765 236 K HN 0.109 nan 8.250 nan 0.000 0.474 237 V N 1.640 121.539 119.914 -0.024 0.000 3.646 237 V HA -0.026 4.098 4.120 0.007 0.000 0.277 237 V C 1.375 177.501 176.094 0.054 0.000 1.274 237 V CA 0.543 62.873 62.300 0.049 0.000 1.164 237 V CB -0.499 31.325 31.823 0.001 0.000 0.926 237 V HN 0.311 nan 8.190 nan 0.000 0.442 238 M N 0.608 120.234 119.600 0.043 0.000 2.213 238 M HA -0.076 4.408 4.480 0.007 0.000 0.263 238 M C -0.338 176.036 176.300 0.123 0.000 1.062 238 M CA 1.924 57.203 55.300 -0.035 0.000 1.105 238 M CB -1.476 31.075 32.600 -0.083 0.000 1.385 238 M HN 0.289 nan 8.290 nan 0.000 0.417 239 P HA -0.159 nan 4.420 nan 0.000 0.217 239 P C 1.235 178.579 177.300 0.074 0.000 1.151 239 P CA 1.208 64.413 63.100 0.177 0.000 0.828 239 P CB -0.093 31.742 31.700 0.224 0.000 0.788 240 E N -0.049 120.197 120.200 0.077 0.000 2.072 240 E HA -0.136 4.218 4.350 0.007 0.000 0.191 240 E C 1.968 178.525 176.600 -0.071 0.000 0.985 240 E CA 0.725 57.057 56.400 -0.112 0.000 0.801 240 E CB -0.679 29.091 29.700 0.116 0.000 0.750 240 E HN 0.089 nan 8.360 nan 0.000 0.452 241 L N 0.261 121.487 121.223 0.005 0.000 2.043 241 L HA -0.242 4.102 4.340 0.007 0.000 0.212 241 L C 2.722 179.612 176.870 0.033 0.000 1.075 241 L CA 1.599 56.430 54.840 -0.016 0.000 0.752 241 L CB -0.295 41.779 42.059 0.025 0.000 0.891 241 L HN 0.381 nan 8.230 nan 0.000 0.432 242 M N -1.656 118.059 119.600 0.191 0.000 2.394 242 M HA -0.124 4.360 4.480 0.007 0.000 0.264 242 M C 2.076 178.500 176.300 0.207 0.000 1.073 242 M CA 0.823 56.317 55.300 0.324 0.000 1.111 242 M CB -0.096 32.718 32.600 0.356 0.000 1.401 242 M HN 0.091 nan 8.290 nan 0.000 0.448 243 V N 0.164 120.079 119.914 0.003 0.000 2.379 243 V HA -0.218 3.906 4.120 0.007 0.000 0.245 243 V C 2.293 178.383 176.094 -0.006 0.000 1.044 243 V CA 1.528 63.784 62.300 -0.073 0.000 1.036 243 V CB -0.764 30.823 31.823 -0.394 0.000 0.664 243 V HN 0.490 nan 8.190 nan 0.000 0.453 244 Q N -0.731 119.040 119.800 -0.048 0.000 1.967 244 Q HA -0.207 4.137 4.340 0.007 0.000 0.202 244 Q C 2.367 178.347 176.000 -0.034 0.000 0.985 244 Q CA 1.820 57.581 55.803 -0.071 0.000 0.839 244 Q CB -0.385 28.271 28.738 -0.136 0.000 0.906 244 Q HN 0.681 nan 8.270 nan 0.000 0.423 245 H N 0.316 119.404 119.070 0.029 0.000 2.297 245 H HA -0.208 4.351 4.556 0.006 0.000 0.289 245 H C 2.062 177.468 175.328 0.131 0.000 1.105 245 H CA 1.783 57.818 56.048 -0.022 0.000 1.219 245 H CB -0.600 29.003 29.762 -0.265 0.000 1.351 245 H HN 0.381 nan 8.280 nan 0.000 0.481 246 A N 1.120 124.182 122.820 0.404 0.000 1.908 246 A HA -0.126 4.198 4.320 0.007 0.000 0.218 246 A C 2.879 180.545 177.584 0.136 0.000 1.181 246 A CA 1.455 53.660 52.037 0.279 0.000 0.627 246 A CB -0.870 18.223 19.000 0.155 0.000 0.818 246 A HN 0.303 nan 8.150 nan 0.000 0.445 247 L N -1.038 120.235 121.223 0.084 0.000 2.056 247 L HA -0.174 4.170 4.340 0.007 0.000 0.207 247 L C 2.500 179.412 176.870 0.070 0.000 1.078 247 L CA 1.767 56.622 54.840 0.025 0.000 0.749 247 L CB -0.617 41.395 42.059 -0.079 0.000 0.901 247 L HN 0.493 nan 8.230 nan 0.000 0.433 248 N N -0.495 118.247 118.700 0.070 0.000 2.171 248 N HA -0.132 4.612 4.740 0.007 0.000 0.184 248 N C 1.934 177.556 175.510 0.186 0.000 1.021 248 N CA 1.220 54.341 53.050 0.117 0.000 0.854 248 N CB 0.153 38.680 38.487 0.066 0.000 0.994 248 N HN 0.086 nan 8.380 nan 0.000 0.426 249 S N 0.462 116.253 115.700 0.151 0.000 2.365 249 S HA -0.176 4.298 4.470 0.007 0.000 0.221 249 S C 1.870 176.605 174.600 0.225 0.000 1.037 249 S CA 1.278 59.568 58.200 0.151 0.000 1.060 249 S CB -0.536 62.626 63.200 -0.063 0.000 0.974 249 S HN 0.384 nan 8.310 nan 0.000 0.427 250 I N 0.906 121.583 120.570 0.178 0.000 2.264 250 I HA -0.152 4.022 4.170 0.007 0.000 0.248 250 I C 1.867 178.084 176.117 0.167 0.000 1.111 250 I CA 1.134 62.530 61.300 0.160 0.000 1.382 250 I CB -0.401 37.663 38.000 0.108 0.000 1.060 250 I HN 0.262 nan 8.210 nan 0.000 0.418 251 F N 0.557 120.530 119.950 0.038 0.000 2.102 251 F HA -0.208 4.323 4.527 0.007 0.000 0.298 251 F C 2.591 178.401 175.800 0.017 0.000 1.105 251 F CA 1.990 59.998 58.000 0.013 0.000 1.239 251 F CB -0.508 38.491 39.000 -0.002 0.000 0.991 251 F HN 0.054 nan 8.300 nan 0.000 0.474 252 S N 0.416 116.171 115.700 0.091 0.000 2.406 252 S HA -0.124 4.350 4.470 0.007 0.000 0.228 252 S C 1.858 176.455 174.600 -0.005 0.000 1.020 252 S CA 0.973 59.180 58.200 0.010 0.000 0.965 252 S CB -0.549 62.719 63.200 0.113 0.000 0.798 252 S HN 0.297 nan 8.310 nan 0.000 0.488 253 L N 2.143 123.405 121.223 0.064 0.000 2.017 253 L HA -0.021 4.323 4.340 0.007 0.000 0.208 253 L C 2.093 178.964 176.870 0.002 0.000 1.073 253 L CA 1.695 56.568 54.840 0.055 0.000 0.745 253 L CB -0.395 41.731 42.059 0.111 0.000 0.894 253 L HN 0.063 nan 8.230 nan 0.000 0.432 254 K N -1.044 119.337 120.400 -0.033 0.000 2.362 254 K HA 0.002 4.326 4.320 0.007 0.000 0.200 254 K C 1.818 178.386 176.600 -0.053 0.000 1.046 254 K CA 0.815 57.078 56.287 -0.041 0.000 0.952 254 K CB -0.224 32.248 32.500 -0.046 0.000 0.753 254 K HN 0.246 nan 8.250 nan 0.000 0.466 255 V N 0.048 119.870 119.914 -0.154 0.000 3.541 255 V HA 0.024 4.148 4.120 0.007 0.000 0.267 255 V C 1.373 177.484 176.094 0.027 0.000 1.213 255 V CA 1.182 63.414 62.300 -0.112 0.000 1.149 255 V CB 0.088 31.668 31.823 -0.406 0.000 0.822 255 V HN 0.600 nan 8.190 nan 0.000 0.462 256 G N -0.581 108.229 108.800 0.018 0.000 2.192 256 G HA2 -0.200 3.764 3.960 0.007 0.000 0.193 256 G HA3 -0.200 3.764 3.960 0.007 0.000 0.193 256 G C 0.162 175.082 174.900 0.034 0.000 0.999 256 G CA -0.133 44.993 45.100 0.042 0.000 0.659 256 G HN 0.361 nan 8.290 nan 0.000 0.503 257 M N 0.855 120.469 119.600 0.023 0.000 2.248 257 M HA 0.293 4.777 4.480 0.007 0.000 0.337 257 M C 0.665 176.972 176.300 0.012 0.000 1.121 257 M CA 0.464 55.780 55.300 0.026 0.000 1.155 257 M CB 0.534 33.151 32.600 0.030 0.000 1.514 257 M HN 0.024 nan 8.290 nan 0.000 0.452 258 K N 1.848 122.252 120.400 0.007 0.000 2.297 258 K HA 0.081 4.405 4.320 0.007 0.000 0.286 258 K C 0.730 177.302 176.600 -0.046 0.000 1.053 258 K CA -0.141 56.138 56.287 -0.013 0.000 0.940 258 K CB 0.933 33.435 32.500 0.004 0.000 1.019 258 K HN 0.511 nan 8.250 nan 0.000 0.475 259 K N 1.176 121.506 120.400 -0.117 0.000 2.173 259 K HA -0.184 4.140 4.320 0.007 0.000 0.207 259 K C 1.235 177.703 176.600 -0.220 0.000 1.046 259 K CA 1.969 58.087 56.287 -0.282 0.000 0.929 259 K CB 0.056 32.312 32.500 -0.406 0.000 0.720 259 K HN 0.626 nan 8.250 nan 0.000 0.453 260 S N -0.340 115.304 115.700 -0.093 0.000 2.710 260 S HA 0.122 4.596 4.470 0.007 0.000 0.224 260 S C 0.745 175.406 174.600 0.102 0.000 0.948 260 S CA -0.220 57.974 58.200 -0.011 0.000 0.949 260 S CB 0.159 63.365 63.200 0.011 0.000 0.778 260 S HN 0.240 nan 8.310 nan 0.000 0.498 261 N N 0.659 119.384 118.700 0.041 0.000 2.181 261 N HA 0.332 5.076 4.740 0.007 0.000 0.207 261 N C -0.555 174.944 175.510 -0.018 0.000 1.182 261 N CA 0.037 53.091 53.050 0.007 0.000 0.893 261 N CB 0.649 39.132 38.487 -0.007 0.000 1.032 261 N HN 0.415 nan 8.380 nan 0.000 0.513 262 I N 1.231 121.833 120.570 0.052 0.000 2.352 262 I HA 0.154 4.328 4.170 0.007 0.000 0.290 262 I C -0.160 176.050 176.117 0.155 0.000 1.036 262 I CA -0.203 61.179 61.300 0.136 0.000 1.336 262 I CB 1.000 39.184 38.000 0.308 0.000 1.407 262 I HN -0.134 nan 8.210 nan 0.000 0.497 263 C N 7.211 126.540 119.300 0.048 0.000 2.322 263 C HA 0.508 4.971 4.460 0.007 0.000 0.324 263 C C -0.098 174.870 174.990 -0.038 0.000 1.249 263 C CA -0.717 58.299 59.018 -0.005 0.000 1.453 263 C CB 0.590 28.278 27.740 -0.087 0.000 2.145 263 C HN 0.478 nan 8.230 nan 0.000 0.466 264 L N 3.269 124.431 121.223 -0.102 0.000 2.278 264 L HA 0.300 4.644 4.340 0.007 0.000 0.287 264 L C 0.822 177.621 176.870 -0.118 0.000 1.072 264 L CA 0.711 55.421 54.840 -0.216 0.000 0.819 264 L CB 0.947 42.634 42.059 -0.620 0.000 1.176 264 L HN 0.685 nan 8.230 nan 0.000 0.435 265 S N 2.126 117.863 115.700 0.062 0.000 2.405 265 S HA 0.253 4.727 4.470 0.007 0.000 0.291 265 S C 0.100 174.828 174.600 0.213 0.000 1.137 265 S CA -0.332 57.939 58.200 0.118 0.000 1.061 265 S CB -0.051 63.276 63.200 0.212 0.000 1.001 265 S HN 0.627 nan 8.310 nan 0.000 0.507 266 T N 5.629 120.240 114.554 0.095 0.000 2.842 266 T HA 0.495 4.849 4.350 0.007 0.000 0.308 266 T C -0.667 174.133 174.700 0.165 0.000 1.041 266 T CA -0.546 61.645 62.100 0.151 0.000 0.964 266 T CB 0.278 69.132 68.868 -0.024 0.000 0.972 266 T HN 0.350 nan 8.240 nan 0.000 0.460 267 V N 8.571 128.626 119.914 0.235 0.000 2.439 267 V HA 0.404 4.528 4.120 0.007 0.000 0.282 267 V C -2.096 174.151 176.094 0.255 0.000 1.039 267 V CA -2.143 60.272 62.300 0.191 0.000 0.913 267 V CB 1.339 33.256 31.823 0.156 0.000 0.983 267 V HN 0.736 nan 8.190 nan 0.000 0.460 268 P HA 0.191 nan 4.420 nan 0.000 0.269 268 P C -2.107 175.318 177.300 0.208 0.000 1.252 268 P CA -1.189 62.053 63.100 0.236 0.000 0.780 268 P CB 0.389 32.197 31.700 0.180 0.000 0.829 269 P HA -0.197 nan 4.420 nan 0.000 0.217 269 P C 0.518 178.023 177.300 0.342 0.000 1.158 269 P CA 1.944 65.164 63.100 0.201 0.000 0.887 269 P CB -0.171 31.629 31.700 0.167 0.000 0.792 270 T N -3.694 111.052 114.554 0.321 0.000 2.870 270 T HA 0.783 5.137 4.350 0.007 0.000 0.277 270 T C -0.331 174.520 174.700 0.251 0.000 1.000 270 T CA -0.780 61.527 62.100 0.344 0.000 0.982 270 T CB 1.784 70.727 68.868 0.126 0.000 1.249 270 T HN 0.078 nan 8.240 nan 0.000 0.589 271 A N 0.226 123.115 122.820 0.116 0.000 2.593 271 A HA 0.839 5.163 4.320 0.007 0.000 0.290 271 A C -3.145 174.410 177.584 -0.049 0.000 1.126 271 A CA -1.962 50.119 52.037 0.073 0.000 0.695 271 A CB 0.685 19.775 19.000 0.150 0.000 1.290 271 A HN 0.615 nan 8.150 nan 0.000 0.414 272 P HA 0.283 nan 4.420 nan 0.000 0.272 272 P C -1.935 175.307 177.300 -0.096 0.000 1.223 272 P CA -0.768 62.287 63.100 -0.075 0.000 0.784 272 P CB 0.206 31.876 31.700 -0.049 0.000 0.923 273 P HA 0.095 nan 4.420 nan 0.000 0.236 273 P C 0.095 177.302 177.300 -0.156 0.000 1.177 273 P CA 0.307 63.335 63.100 -0.120 0.000 0.773 273 P CB -0.023 31.609 31.700 -0.113 0.000 0.878 274 A N 2.407 125.098 122.820 -0.216 0.000 2.531 274 A HA 0.252 4.576 4.320 0.007 0.000 0.236 274 A C -1.818 175.671 177.584 -0.159 0.000 1.062 274 A CA -0.909 50.977 52.037 -0.252 0.000 0.760 274 A CB -0.836 17.946 19.000 -0.363 0.000 0.995 274 A HN 0.067 nan 8.150 nan 0.000 0.501 275 P HA 0.025 nan 4.420 nan 0.000 0.252 275 P C 0.779 178.075 177.300 -0.006 0.000 1.694 275 P CA 0.452 63.507 63.100 -0.075 0.000 1.163 275 P CB -0.155 31.484 31.700 -0.102 0.000 1.934 276 S N 2.507 118.206 115.700 -0.001 0.000 2.368 276 S HA -0.152 4.322 4.470 0.007 0.000 0.224 276 S C 1.890 176.543 174.600 0.087 0.000 1.029 276 S CA 0.737 58.961 58.200 0.040 0.000 0.988 276 S CB -0.771 62.457 63.200 0.046 0.000 0.838 276 S HN 0.119 nan 8.310 nan 0.000 0.462 277 M N 0.018 119.672 119.600 0.089 0.000 2.267 277 M HA -0.033 4.451 4.480 0.007 0.000 0.263 277 M C 2.020 178.400 176.300 0.134 0.000 1.063 277 M CA 1.390 56.751 55.300 0.101 0.000 1.090 277 M CB -0.952 31.701 32.600 0.088 0.000 1.392 277 M HN 0.515 nan 8.290 nan 0.000 0.422 278 Y N 0.274 120.582 120.300 0.013 0.000 2.448 278 Y HA 0.017 4.571 4.550 0.007 0.000 0.289 278 Y C 1.995 177.913 175.900 0.029 0.000 1.114 278 Y CA 0.932 59.041 58.100 0.014 0.000 1.235 278 Y CB 0.111 38.565 38.460 -0.011 0.000 1.045 278 Y HN 0.047 nan 8.280 nan 0.000 0.554 279 L N -0.677 120.632 121.223 0.143 0.000 2.209 279 L HA -0.087 4.257 4.340 0.007 0.000 0.207 279 L C 1.498 178.440 176.870 0.120 0.000 1.094 279 L CA 0.910 55.809 54.840 0.100 0.000 0.790 279 L CB -0.182 41.927 42.059 0.084 0.000 0.932 279 L HN 0.110 nan 8.230 nan 0.000 0.447 280 D N -0.461 120.019 120.400 0.133 0.000 2.216 280 D HA -0.079 4.565 4.640 0.007 0.000 0.208 280 D C 2.060 178.459 176.300 0.164 0.000 0.960 280 D CA 0.496 54.609 54.000 0.187 0.000 0.861 280 D CB 0.124 41.030 40.800 0.177 0.000 0.985 280 D HN 0.042 nan 8.370 nan 0.000 0.493 281 L N 1.515 122.790 121.223 0.087 0.000 2.012 281 L HA -0.086 4.258 4.340 0.007 0.000 0.210 281 L C -0.906 175.986 176.870 0.035 0.000 1.073 281 L CA 2.072 56.939 54.840 0.045 0.000 0.748 281 L CB -1.512 40.555 42.059 0.014 0.000 0.891 281 L HN -0.046 nan 8.230 nan 0.000 0.431 282 P HA -0.231 nan 4.420 nan 0.000 0.215 282 P C 1.413 178.788 177.300 0.125 0.000 1.153 282 P CA 1.414 64.537 63.100 0.040 0.000 0.853 282 P CB -0.287 31.419 31.700 0.009 0.000 0.788 283 Y N 0.991 121.323 120.300 0.054 0.000 2.128 283 Y HA -0.195 4.359 4.550 0.006 0.000 0.284 283 Y C 2.309 178.249 175.900 0.067 0.000 1.154 283 Y CA 1.528 59.678 58.100 0.083 0.000 1.149 283 Y CB -1.238 37.285 38.460 0.106 0.000 0.976 283 Y HN -0.118 nan 8.280 nan 0.000 0.505 284 A N -0.523 122.205 122.820 -0.153 0.000 1.933 284 A HA -0.120 4.204 4.320 0.007 0.000 0.218 284 A C 2.372 179.868 177.584 -0.147 0.000 1.175 284 A CA 1.951 53.838 52.037 -0.250 0.000 0.628 284 A CB -1.295 17.645 19.000 -0.100 0.000 0.814 284 A HN 0.349 nan 8.150 nan 0.000 0.444 285 V N -0.344 119.535 119.914 -0.060 0.000 2.427 285 V HA -0.213 3.911 4.120 0.007 0.000 0.248 285 V C 2.961 179.042 176.094 -0.020 0.000 1.051 285 V CA 1.913 64.195 62.300 -0.030 0.000 1.048 285 V CB -1.018 30.801 31.823 -0.007 0.000 0.666 285 V HN 0.608 nan 8.190 nan 0.000 0.456 286 A N -0.628 122.186 122.820 -0.010 0.000 1.970 286 A HA -0.054 4.270 4.320 0.007 0.000 0.216 286 A C 2.075 179.686 177.584 0.044 0.000 1.170 286 A CA 1.279 53.337 52.037 0.036 0.000 0.645 286 A CB -0.400 18.654 19.000 0.090 0.000 0.816 286 A HN 0.430 nan 8.150 nan 0.000 0.447 287 L N -0.704 120.479 121.223 -0.066 0.000 2.141 287 L HA -0.033 4.311 4.340 0.007 0.000 0.209 287 L C 2.327 179.209 176.870 0.019 0.000 1.094 287 L CA 1.637 56.432 54.840 -0.074 0.000 0.763 287 L CB -0.334 41.446 42.059 -0.466 0.000 0.908 287 L HN 0.219 nan 8.230 nan 0.000 0.437 288 R N -0.199 120.283 120.500 -0.031 0.000 2.073 288 R HA -0.037 4.307 4.340 0.007 0.000 0.229 288 R C 2.152 178.497 176.300 0.075 0.000 1.120 288 R CA 1.294 57.403 56.100 0.015 0.000 0.967 288 R CB -0.353 29.933 30.300 -0.023 0.000 0.862 288 R HN 0.454 nan 8.270 nan 0.000 0.436 289 E N -0.570 119.663 120.200 0.055 0.000 2.106 289 E HA -0.180 4.174 4.350 0.007 0.000 0.192 289 E C 1.532 178.163 176.600 0.052 0.000 0.984 289 E CA 1.122 57.550 56.400 0.047 0.000 0.806 289 E CB -0.083 29.635 29.700 0.030 0.000 0.750 289 E HN 0.090 nan 8.360 nan 0.000 0.458 290 M N -0.559 119.092 119.600 0.086 0.000 2.492 290 M HA 0.046 4.530 4.480 0.007 0.000 0.262 290 M C 0.086 176.251 176.300 -0.224 0.000 1.090 290 M CA 1.141 56.423 55.300 -0.030 0.000 1.110 290 M CB 0.414 33.031 32.600 0.028 0.000 1.407 290 M HN -0.053 nan 8.290 nan 0.000 0.470 291 F N -0.206 119.736 119.950 -0.013 0.000 2.841 291 F HA 0.342 4.873 4.527 0.007 0.000 0.358 291 F C 0.108 176.011 175.800 0.172 0.000 1.261 291 F CA -0.820 57.199 58.000 0.032 0.000 1.233 291 F CB -0.048 38.863 39.000 -0.149 0.000 1.008 291 F HN -0.087 nan 8.300 nan 0.000 0.507 292 E N 0.509 120.837 120.200 0.213 0.000 2.480 292 E HA 0.318 4.672 4.350 0.007 0.000 0.258 292 E C 1.149 177.836 176.600 0.145 0.000 0.984 292 E CA 1.364 57.849 56.400 0.141 0.000 0.930 292 E CB 0.468 30.205 29.700 0.062 0.000 0.936 292 E HN 0.651 nan 8.360 nan 0.000 0.466 293 G N 3.025 111.868 108.800 0.071 0.000 2.278 293 G HA2 -0.250 3.714 3.960 0.007 0.000 0.210 293 G HA3 -0.250 3.714 3.960 0.007 0.000 0.210 293 G C -0.489 174.315 174.900 -0.160 0.000 1.000 293 G CA -0.404 44.652 45.100 -0.073 0.000 0.635 293 G HN 0.502 nan 8.290 nan 0.000 0.495 294 Y N 1.910 122.228 120.300 0.030 0.000 2.376 294 Y HA 0.736 5.290 4.550 0.007 0.000 0.325 294 Y C 1.060 176.939 175.900 -0.036 0.000 1.199 294 Y CA -0.939 57.174 58.100 0.022 0.000 1.206 294 Y CB 0.719 39.228 38.460 0.081 0.000 1.229 294 Y HN -0.021 nan 8.280 nan 0.000 0.480 295 R N 2.292 122.856 120.500 0.108 0.000 2.441 295 R HA 0.304 4.648 4.340 0.007 0.000 0.284 295 R C -0.686 175.616 176.300 0.003 0.000 1.070 295 R CA -0.351 55.760 56.100 0.017 0.000 1.047 295 R CB 0.379 30.708 30.300 0.048 0.000 1.016 295 R HN 0.594 nan 8.270 nan 0.000 0.477 296 M N 2.575 122.154 119.600 -0.035 0.000 2.180 296 M HA 0.297 4.781 4.480 0.007 0.000 0.350 296 M C 0.522 176.810 176.300 -0.020 0.000 1.125 296 M CA -0.465 54.794 55.300 -0.068 0.000 1.031 296 M CB 1.129 33.678 32.600 -0.086 0.000 1.623 296 M HN 0.207 nan 8.290 nan 0.000 0.451 297 R N 2.824 123.306 120.500 -0.030 0.000 2.369 297 R HA 0.547 4.891 4.340 0.007 0.000 0.310 297 R C -1.032 175.260 176.300 -0.013 0.000 1.141 297 R CA -0.101 55.999 56.100 0.001 0.000 1.116 297 R CB 0.262 30.551 30.300 -0.018 0.000 1.135 297 R HN 0.842 nan 8.270 nan 0.000 0.529 298 A N 3.729 126.547 122.820 -0.004 0.000 2.492 298 A HA 0.140 4.464 4.320 0.007 0.000 0.254 298 A C -0.048 177.529 177.584 -0.011 0.000 1.091 298 A CA -0.118 51.917 52.037 -0.003 0.000 0.768 298 A CB 0.539 19.540 19.000 0.002 0.000 1.028 298 A HN 0.749 nan 8.150 nan 0.000 0.498 299 Q N 2.283 122.076 119.800 -0.013 0.000 2.399 299 Q HA 0.737 5.080 4.340 0.007 0.000 0.276 299 Q C -0.697 175.287 176.000 -0.027 0.000 1.098 299 Q CA -0.393 55.380 55.803 -0.051 0.000 0.827 299 Q CB 1.268 29.942 28.738 -0.106 0.000 1.386 299 Q HN 0.732 nan 8.270 nan 0.000 0.443 300 M N 1.833 121.389 119.600 -0.074 0.000 2.471 300 M HA 0.371 4.855 4.480 0.007 0.000 0.309 300 M C 0.008 176.313 176.300 0.009 0.000 1.186 300 M CA -0.840 54.424 55.300 -0.061 0.000 1.008 300 M CB 1.055 33.489 32.600 -0.277 0.000 1.551 300 M HN 0.837 nan 8.290 nan 0.000 0.477 301 N N -0.026 118.735 118.700 0.102 0.000 2.479 301 N HA 0.079 4.823 4.740 0.007 0.000 0.257 301 N C 0.044 175.620 175.510 0.109 0.000 1.232 301 N CA 0.567 53.690 53.050 0.122 0.000 0.920 301 N CB 0.670 39.262 38.487 0.176 0.000 1.105 301 N HN 0.721 nan 8.380 nan 0.000 0.444 302 T N -1.113 113.463 114.554 0.037 0.000 3.131 302 T HA 0.158 4.512 4.350 0.007 0.000 0.283 302 T C 1.165 175.831 174.700 -0.058 0.000 0.906 302 T CA -0.479 61.627 62.100 0.011 0.000 0.882 302 T CB -0.248 68.619 68.868 -0.002 0.000 1.208 302 T HN 0.499 nan 8.240 nan 0.000 0.561 303 K N 0.715 121.022 120.400 -0.155 0.000 2.021 303 K HA 0.092 4.416 4.320 0.007 0.000 0.205 303 K C -0.283 176.134 176.600 -0.305 0.000 1.047 303 K CA 0.777 56.866 56.287 -0.330 0.000 0.943 303 K CB 0.098 32.231 32.500 -0.610 0.000 0.725 303 K HN 0.353 nan 8.250 nan 0.000 0.439 304 Y N 1.071 121.398 120.300 0.045 0.000 2.812 304 Y HA 0.321 4.875 4.550 0.006 0.000 0.354 304 Y C -0.151 175.753 175.900 0.006 0.000 1.276 304 Y CA -0.072 58.048 58.100 0.032 0.000 1.639 304 Y CB 0.048 38.535 38.460 0.045 0.000 1.741 304 Y HN 0.027 nan 8.280 nan 0.000 0.479 305 M N 1.314 120.964 119.600 0.083 0.000 2.326 305 M HA 0.364 4.848 4.480 0.007 0.000 0.306 305 M C -0.676 175.622 176.300 -0.004 0.000 1.054 305 M CA -0.338 54.975 55.300 0.021 0.000 0.922 305 M CB 2.092 34.691 32.600 -0.002 0.000 1.632 305 M HN 0.333 nan 8.290 nan 0.000 0.436 306 E N 1.312 121.495 120.200 -0.029 0.000 2.586 306 E HA 0.575 4.929 4.350 0.007 0.000 0.232 306 E C -0.006 176.546 176.600 -0.081 0.000 0.854 306 E CA -0.046 56.330 56.400 -0.041 0.000 0.938 306 E CB 1.675 31.359 29.700 -0.027 0.000 1.518 306 E HN 0.795 nan 8.360 nan 0.000 0.400 307 A N 0.246 123.017 122.820 -0.081 0.000 2.169 307 A HA 0.011 4.335 4.320 0.007 0.000 0.212 307 A C 1.039 178.546 177.584 -0.129 0.000 1.153 307 A CA 0.509 52.479 52.037 -0.112 0.000 0.756 307 A CB -0.029 18.917 19.000 -0.090 0.000 0.813 307 A HN 0.184 nan 8.150 nan 0.000 0.471 308 S N 0.188 115.824 115.700 -0.105 0.000 2.499 308 S HA 0.271 4.745 4.470 0.007 0.000 0.275 308 S C 1.458 175.972 174.600 -0.143 0.000 1.257 308 S CA 0.273 58.410 58.200 -0.104 0.000 1.050 308 S CB 0.760 63.918 63.200 -0.069 0.000 0.937 308 S HN 0.583 nan 8.310 nan 0.000 0.490 309 T N 3.019 117.477 114.554 -0.160 0.000 2.985 309 T HA 0.013 4.367 4.350 0.007 0.000 0.266 309 T C 1.785 176.408 174.700 -0.128 0.000 1.076 309 T CA 0.335 62.317 62.100 -0.197 0.000 1.135 309 T CB -0.201 68.520 68.868 -0.245 0.000 0.890 309 T HN 0.632 nan 8.240 nan 0.000 0.480 310 R N 1.106 121.556 120.500 -0.083 0.000 2.090 310 R HA -0.019 4.324 4.340 0.007 0.000 0.228 310 R C 2.434 178.685 176.300 -0.081 0.000 1.110 310 R CA 1.351 57.416 56.100 -0.059 0.000 0.973 310 R CB -0.292 29.989 30.300 -0.032 0.000 0.869 310 R HN 0.603 nan 8.270 nan 0.000 0.440 311 E N -0.173 119.972 120.200 -0.092 0.000 2.110 311 E HA -0.164 4.190 4.350 0.007 0.000 0.193 311 E C 1.627 178.132 176.600 -0.158 0.000 0.988 311 E CA 1.186 57.527 56.400 -0.098 0.000 0.804 311 E CB 0.020 29.672 29.700 -0.080 0.000 0.745 311 E HN 0.446 nan 8.360 nan 0.000 0.458 312 A N 0.029 122.713 122.820 -0.227 0.000 1.930 312 A HA -0.074 4.250 4.320 0.007 0.000 0.215 312 A C 2.316 179.514 177.584 -0.643 0.000 1.176 312 A CA 1.519 53.289 52.037 -0.445 0.000 0.632 312 A CB -0.578 18.187 19.000 -0.392 0.000 0.819 312 A HN 0.234 nan 8.150 nan 0.000 0.445 313 T N -0.288 114.091 114.554 -0.292 0.000 2.821 313 T HA -0.092 4.262 4.350 0.007 0.000 0.267 313 T C 1.877 176.537 174.700 -0.066 0.000 1.046 313 T CA 1.521 63.553 62.100 -0.114 0.000 1.139 313 T CB -0.285 68.572 68.868 -0.020 0.000 0.871 313 T HN 0.142 nan 8.240 nan 0.000 0.454 314 V N 1.420 121.283 119.914 -0.084 0.000 2.270 314 V HA -0.181 3.943 4.120 0.007 0.000 0.245 314 V C 2.795 178.871 176.094 -0.030 0.000 1.043 314 V CA 2.005 64.281 62.300 -0.039 0.000 1.014 314 V CB -1.193 30.607 31.823 -0.038 0.000 0.645 314 V HN 0.476 nan 8.190 nan 0.000 0.447 315 T N -0.953 113.552 114.554 -0.080 0.000 2.685 315 T HA -0.308 4.046 4.350 0.007 0.000 0.268 315 T C 1.638 176.385 174.700 0.078 0.000 1.034 315 T CA 2.338 64.422 62.100 -0.028 0.000 1.149 315 T CB -0.475 68.351 68.868 -0.070 0.000 0.860 315 T HN 0.681 nan 8.240 nan 0.000 0.449 316 H N -0.569 118.511 119.070 0.017 0.000 2.428 316 H HA 0.051 4.611 4.556 0.007 0.000 0.296 316 H C 2.338 177.678 175.328 0.021 0.000 1.062 316 H CA 0.637 56.696 56.048 0.018 0.000 1.350 316 H CB 0.063 29.830 29.762 0.009 0.000 1.403 316 H HN 0.150 nan 8.280 nan 0.000 0.533 317 V N 1.091 121.089 119.914 0.140 0.000 2.427 317 V HA -0.228 3.896 4.120 0.007 0.000 0.248 317 V C 2.335 178.470 176.094 0.068 0.000 1.051 317 V CA 1.334 63.684 62.300 0.084 0.000 1.048 317 V CB -0.397 31.459 31.823 0.055 0.000 0.666 317 V HN 0.356 nan 8.190 nan 0.000 0.456 318 L N -0.011 121.253 121.223 0.068 0.000 2.017 318 L HA -0.193 4.151 4.340 0.007 0.000 0.208 318 L C 2.276 179.190 176.870 0.073 0.000 1.073 318 L CA 2.028 56.905 54.840 0.061 0.000 0.745 318 L CB -0.877 41.215 42.059 0.055 0.000 0.894 318 L HN 0.416 nan 8.230 nan 0.000 0.432 319 N N -0.060 118.698 118.700 0.097 0.000 2.192 319 N HA -0.219 4.525 4.740 0.007 0.000 0.188 319 N C 1.900 177.448 175.510 0.063 0.000 1.013 319 N CA 0.924 54.030 53.050 0.092 0.000 0.863 319 N CB -0.107 38.447 38.487 0.110 0.000 0.990 319 N HN 0.283 nan 8.380 nan 0.000 0.430 320 L N 0.075 121.334 121.223 0.059 0.000 2.131 320 L HA -0.073 4.271 4.340 0.007 0.000 0.206 320 L C 2.147 179.038 176.870 0.036 0.000 1.087 320 L CA 0.303 55.168 54.840 0.042 0.000 0.767 320 L CB -0.161 41.924 42.059 0.043 0.000 0.917 320 L HN 0.199 nan 8.230 nan 0.000 0.441 321 L N -0.173 121.073 121.223 0.039 0.000 2.046 321 L HA -0.227 4.116 4.340 0.007 0.000 0.208 321 L C 2.365 179.253 176.870 0.030 0.000 1.077 321 L CA 1.752 56.611 54.840 0.032 0.000 0.747 321 L CB -0.489 41.590 42.059 0.033 0.000 0.896 321 L HN 0.086 nan 8.230 nan 0.000 0.432 322 I N -0.697 119.897 120.570 0.039 0.000 2.151 322 I HA -0.302 3.872 4.170 0.007 0.000 0.243 322 I C 2.520 178.649 176.117 0.020 0.000 1.080 322 I CA 1.567 62.888 61.300 0.036 0.000 1.339 322 I CB -1.544 36.488 38.000 0.053 0.000 1.039 322 I HN 0.266 nan 8.210 nan 0.000 0.409 323 S N 0.540 116.252 115.700 0.020 0.000 2.370 323 S HA -0.223 4.251 4.470 0.007 0.000 0.226 323 S C 1.973 176.576 174.600 0.005 0.000 1.033 323 S CA 1.600 59.806 58.200 0.009 0.000 1.011 323 S CB -0.207 63.001 63.200 0.014 0.000 0.852 323 S HN 0.299 nan 8.310 nan 0.000 0.457 324 K N 1.649 122.056 120.400 0.011 0.000 2.148 324 K HA 0.115 4.439 4.320 0.007 0.000 0.204 324 K C 1.657 178.260 176.600 0.004 0.000 1.050 324 K CA 1.104 57.396 56.287 0.008 0.000 0.942 324 K CB -0.505 32.002 32.500 0.012 0.000 0.724 324 K HN 0.334 nan 8.250 nan 0.000 0.446 325 L N 0.298 121.525 121.223 0.006 0.000 2.395 325 L HA -0.026 4.318 4.340 0.007 0.000 0.218 325 L C 1.714 178.583 176.870 -0.003 0.000 1.130 325 L CA 1.136 55.979 54.840 0.004 0.000 0.826 325 L CB -0.485 41.580 42.059 0.010 0.000 0.941 325 L HN 0.425 nan 8.230 nan 0.000 0.451 326 T N -2.633 111.916 114.554 -0.008 0.000 2.090 326 T HA 0.259 4.613 4.350 0.007 0.000 0.179 326 T C 0.356 175.044 174.700 -0.021 0.000 0.687 326 T CA -0.512 61.577 62.100 -0.018 0.000 1.523 326 T CB 0.653 69.503 68.868 -0.030 0.000 3.135 326 T HN 0.048 nan 8.240 nan 0.000 0.403 327 R N 0.163 120.646 120.500 -0.030 0.000 2.668 327 R HA 0.678 5.022 4.340 0.007 0.000 0.272 327 R C -2.269 174.012 176.300 -0.032 0.000 1.019 327 R CA -0.655 55.425 56.100 -0.033 0.000 0.894 327 R CB 1.933 32.208 30.300 -0.042 0.000 1.228 327 R HN 0.906 nan 8.270 nan 0.000 0.460 328 A N 2.447 125.254 122.820 -0.023 0.000 2.427 328 A HA 0.353 4.677 4.320 0.007 0.000 0.298 328 A C -0.785 176.797 177.584 -0.003 0.000 1.036 328 A CA -0.713 51.319 52.037 -0.009 0.000 0.701 328 A CB 1.669 20.677 19.000 0.013 0.000 1.250 328 A HN 0.912 nan 8.150 nan 0.000 0.412 329 D N 1.124 121.526 120.400 0.002 0.000 2.355 329 D HA 0.192 4.836 4.640 0.007 0.000 0.206 329 D C 0.077 176.525 176.300 0.247 0.000 1.010 329 D CA 1.119 55.117 54.000 -0.002 0.000 0.875 329 D CB 0.656 41.330 40.800 -0.210 0.000 0.966 329 D HN 0.549 nan 8.370 nan 0.000 0.512 330 I N 0.720 121.417 120.570 0.212 0.000 2.686 330 I HA 0.198 4.372 4.170 0.007 0.000 0.295 330 I C -1.067 175.132 176.117 0.138 0.000 1.114 330 I CA -0.851 60.603 61.300 0.256 0.000 1.038 330 I CB 2.594 40.766 38.000 0.287 0.000 1.238 330 I HN -0.334 nan 8.210 nan 0.000 0.420 331 Q N 4.132 124.009 119.800 0.128 0.000 2.414 331 Q HA 0.440 4.784 4.340 0.007 0.000 0.256 331 Q C -1.458 174.563 176.000 0.036 0.000 0.974 331 Q CA -0.304 55.535 55.803 0.059 0.000 0.723 331 Q CB 1.782 30.552 28.738 0.054 0.000 1.281 331 Q HN 0.664 nan 8.270 nan 0.000 0.470 332 S N 1.577 117.270 115.700 -0.012 0.000 2.617 332 S HA 0.691 5.165 4.470 0.007 0.000 0.269 332 S C -0.011 174.531 174.600 -0.097 0.000 1.292 332 S CA -0.125 58.030 58.200 -0.075 0.000 1.010 332 S CB 0.854 63.981 63.200 -0.121 0.000 0.944 332 S HN 0.755 nan 8.310 nan 0.000 0.536 333 T N -0.614 113.871 114.554 -0.116 0.000 2.948 333 T HA 0.731 5.085 4.350 0.007 0.000 0.285 333 T C -0.622 173.974 174.700 -0.173 0.000 1.019 333 T CA -0.770 61.242 62.100 -0.147 0.000 1.013 333 T CB 0.572 69.385 68.868 -0.092 0.000 1.117 333 T HN 0.272 nan 8.240 nan 0.000 0.533 334 I N 2.131 122.552 120.570 -0.249 0.000 2.498 334 I HA 0.324 4.498 4.170 0.007 0.000 0.290 334 I C 0.835 176.906 176.117 -0.077 0.000 1.032 334 I CA -0.547 60.656 61.300 -0.163 0.000 1.073 334 I CB 1.876 39.772 38.000 -0.172 0.000 1.251 334 I HN 1.093 nan 8.210 nan 0.000 0.426 335 T N 4.080 118.624 114.554 -0.016 0.000 2.916 335 T HA 0.205 4.559 4.350 0.007 0.000 0.303 335 T C -1.658 173.048 174.700 0.011 0.000 1.025 335 T CA -1.013 61.100 62.100 0.020 0.000 1.142 335 T CB 0.664 69.545 68.868 0.022 0.000 0.947 335 T HN 0.446 nan 8.240 nan 0.000 0.544 336 P HA -0.042 nan 4.420 nan 0.000 0.231 336 P C 0.717 177.806 177.300 -0.353 0.000 1.158 336 P CA 0.806 63.840 63.100 -0.110 0.000 0.763 336 P CB 0.048 31.679 31.700 -0.116 0.000 0.805 337 D N -1.127 118.966 120.400 -0.512 0.000 2.349 337 D HA -0.069 4.575 4.640 0.007 0.000 0.214 337 D C 1.583 177.653 176.300 -0.383 0.000 1.063 337 D CA 0.011 53.616 54.000 -0.657 0.000 0.847 337 D CB -0.675 39.499 40.800 -1.044 0.000 0.933 337 D HN 0.040 nan 8.370 nan 0.000 0.513 338 E N 0.971 121.034 120.200 -0.230 0.000 2.187 338 E HA -0.153 4.201 4.350 0.007 0.000 0.199 338 E C 1.747 178.263 176.600 -0.140 0.000 1.004 338 E CA 1.492 57.805 56.400 -0.146 0.000 0.813 338 E CB -0.281 29.377 29.700 -0.069 0.000 0.736 338 E HN 0.500 nan 8.360 nan 0.000 0.468 339 G N -0.221 108.491 108.800 -0.147 0.000 2.777 339 G HA2 -0.116 3.848 3.960 0.007 0.000 0.211 339 G HA3 -0.116 3.848 3.960 0.007 0.000 0.211 339 G C 1.627 176.443 174.900 -0.141 0.000 1.149 339 G CA -0.014 45.016 45.100 -0.118 0.000 0.785 339 G HN 0.102 nan 8.290 nan 0.000 0.536 340 R N 0.044 120.419 120.500 -0.208 0.000 2.175 340 R HA 0.149 4.493 4.340 0.007 0.000 0.202 340 R C 0.720 176.884 176.300 -0.227 0.000 1.018 340 R CA 0.803 56.769 56.100 -0.224 0.000 1.029 340 R CB 0.156 30.271 30.300 -0.308 0.000 0.959 340 R HN 0.587 nan 8.270 nan 0.000 0.480 341 N N -2.274 116.262 118.700 -0.274 0.000 3.387 341 N HA 0.034 4.777 4.740 0.007 0.000 0.294 341 N C -1.320 174.073 175.510 -0.196 0.000 1.519 341 N CA -0.777 52.135 53.050 -0.232 0.000 0.875 341 N CB 1.359 39.656 38.487 -0.316 0.000 1.657 341 N HN -0.274 nan 8.380 nan 0.000 0.527 342 V N 1.410 121.263 119.914 -0.101 0.000 2.530 342 V HA 0.301 4.425 4.120 0.007 0.000 0.282 342 V C -2.058 174.024 176.094 -0.020 0.000 1.048 342 V CA -1.072 61.203 62.300 -0.043 0.000 0.997 342 V CB 0.669 32.490 31.823 -0.003 0.000 0.987 342 V HN 0.557 nan 8.190 nan 0.000 0.477 343 P HA -0.046 nan 4.420 nan 0.000 0.260 343 P C -0.822 176.605 177.300 0.212 0.000 1.172 343 P CA 0.273 63.392 63.100 0.032 0.000 0.760 343 P CB 0.194 31.916 31.700 0.037 0.000 0.773 344 W N 2.788 124.092 121.300 0.007 0.000 2.415 344 W HA 0.217 4.881 4.660 0.006 0.000 0.355 344 W C 1.925 178.386 176.519 -0.098 0.000 1.161 344 W CA -0.430 56.847 57.345 -0.113 0.000 1.315 344 W CB -0.551 28.883 29.460 -0.044 0.000 1.261 344 W HN 0.533 nan 8.180 nan 0.000 0.636 345 H N 1.515 120.693 119.070 0.181 0.000 2.319 345 H HA -0.181 4.379 4.556 0.006 0.000 0.299 345 H C 2.016 177.376 175.328 0.053 0.000 1.092 345 H CA 2.512 58.612 56.048 0.088 0.000 1.302 345 H CB -0.615 29.163 29.762 0.028 0.000 1.373 345 H HN 0.489 nan 8.280 nan 0.000 0.497 346 I N -1.177 119.462 120.570 0.116 0.000 2.361 346 I HA -0.260 3.914 4.170 0.007 0.000 0.251 346 I C 1.745 177.798 176.117 -0.107 0.000 1.133 346 I CA 1.701 62.954 61.300 -0.077 0.000 1.413 346 I CB -0.585 37.265 38.000 -0.251 0.000 1.073 346 I HN -0.054 nan 8.210 nan 0.000 0.424 347 Y N 1.620 121.989 120.300 0.115 0.000 2.448 347 Y HA 0.059 4.613 4.550 0.006 0.000 0.289 347 Y C 2.266 178.183 175.900 0.028 0.000 1.114 347 Y CA 0.800 58.925 58.100 0.042 0.000 1.235 347 Y CB -0.908 37.543 38.460 -0.015 0.000 1.045 347 Y HN 0.232 nan 8.280 nan 0.000 0.554 348 N N 0.113 118.925 118.700 0.186 0.000 2.104 348 N HA -0.174 4.570 4.740 0.007 0.000 0.190 348 N C 1.458 177.011 175.510 0.071 0.000 1.024 348 N CA 1.473 54.592 53.050 0.116 0.000 0.853 348 N CB -0.322 38.239 38.487 0.123 0.000 1.008 348 N HN 0.097 nan 8.380 nan 0.000 0.424 349 I N 1.306 121.898 120.570 0.038 0.000 2.394 349 I HA -0.138 4.036 4.170 0.007 0.000 0.251 349 I C 2.002 178.042 176.117 -0.129 0.000 1.136 349 I CA 1.007 62.248 61.300 -0.098 0.000 1.425 349 I CB -0.421 37.462 38.000 -0.196 0.000 1.079 349 I HN 0.205 nan 8.210 nan 0.000 0.425 350 E N 0.300 120.491 120.200 -0.016 0.000 2.051 350 E HA -0.237 4.117 4.350 0.007 0.000 0.192 350 E C 2.355 178.986 176.600 0.051 0.000 0.991 350 E CA 1.337 57.760 56.400 0.038 0.000 0.799 350 E CB -0.199 29.599 29.700 0.164 0.000 0.748 350 E HN 0.504 nan 8.360 nan 0.000 0.449 351 A N 0.911 123.772 122.820 0.067 0.000 1.883 351 A HA -0.238 4.086 4.320 0.007 0.000 0.217 351 A C 2.515 180.116 177.584 0.029 0.000 1.186 351 A CA 1.580 53.646 52.037 0.048 0.000 0.624 351 A CB -1.019 17.996 19.000 0.026 0.000 0.822 351 A HN 0.387 nan 8.150 nan 0.000 0.444 352 C N -0.574 118.742 119.300 0.026 0.000 2.413 352 C HA -0.130 4.333 4.460 0.007 0.000 0.278 352 C C 2.430 177.447 174.990 0.045 0.000 1.224 352 C CA 1.185 60.228 59.018 0.042 0.000 1.732 352 C CB -1.467 26.317 27.740 0.073 0.000 2.050 352 C HN 0.646 nan 8.230 nan 0.000 0.463 353 D N 0.325 120.738 120.400 0.021 0.000 2.149 353 D HA -0.132 4.512 4.640 0.007 0.000 0.194 353 D C 2.194 178.523 176.300 0.049 0.000 1.001 353 D CA 1.908 55.930 54.000 0.037 0.000 0.849 353 D CB -0.682 40.110 40.800 -0.014 0.000 0.939 353 D HN 0.443 nan 8.370 nan 0.000 0.449 354 T N -0.026 114.557 114.554 0.047 0.000 2.746 354 T HA -0.100 4.254 4.350 0.007 0.000 0.267 354 T C 1.908 176.638 174.700 0.050 0.000 1.039 354 T CA 1.461 63.595 62.100 0.057 0.000 1.142 354 T CB -0.258 68.656 68.868 0.075 0.000 0.866 354 T HN 0.224 nan 8.240 nan 0.000 0.444 355 A N 2.323 125.168 122.820 0.042 0.000 1.872 355 A HA -0.096 4.228 4.320 0.007 0.000 0.214 355 A C 2.196 179.801 177.584 0.036 0.000 1.187 355 A CA 1.861 53.918 52.037 0.034 0.000 0.614 355 A CB -0.454 18.560 19.000 0.023 0.000 0.826 355 A HN 0.675 nan 8.150 nan 0.000 0.442 356 K N -0.231 120.194 120.400 0.041 0.000 2.097 356 K HA -0.187 4.137 4.320 0.007 0.000 0.205 356 K C 2.114 178.731 176.600 0.029 0.000 1.050 356 K CA 1.568 57.875 56.287 0.033 0.000 0.938 356 K CB -0.408 32.115 32.500 0.038 0.000 0.718 356 K HN 0.534 nan 8.250 nan 0.000 0.442 357 Q N 0.844 120.667 119.800 0.039 0.000 2.061 357 Q HA -0.183 4.161 4.340 0.007 0.000 0.204 357 Q C 2.152 178.168 176.000 0.027 0.000 0.984 357 Q CA 1.842 57.667 55.803 0.036 0.000 0.846 357 Q CB -0.261 28.506 28.738 0.048 0.000 0.902 357 Q HN 0.498 nan 8.270 nan 0.000 0.421 358 A N 0.592 123.430 122.820 0.031 0.000 1.873 358 A HA -0.136 4.188 4.320 0.007 0.000 0.215 358 A C 2.067 179.665 177.584 0.022 0.000 1.186 358 A CA 1.261 53.315 52.037 0.028 0.000 0.616 358 A CB -0.764 18.258 19.000 0.036 0.000 0.823 358 A HN 0.449 nan 8.150 nan 0.000 0.442 359 L N -0.279 120.959 121.223 0.024 0.000 2.083 359 L HA -0.178 4.166 4.340 0.007 0.000 0.209 359 L C 2.399 179.282 176.870 0.022 0.000 1.083 359 L CA 0.715 55.568 54.840 0.021 0.000 0.752 359 L CB -0.431 41.642 42.059 0.022 0.000 0.899 359 L HN 0.321 nan 8.230 nan 0.000 0.433 360 I N 0.062 120.643 120.570 0.019 0.000 2.202 360 I HA -0.164 4.010 4.170 0.007 0.000 0.242 360 I C 2.699 178.836 176.117 0.033 0.000 1.091 360 I CA 1.644 62.963 61.300 0.032 0.000 1.368 360 I CB -1.928 36.077 38.000 0.009 0.000 1.058 360 I HN 0.246 nan 8.210 nan 0.000 0.410 361 G N 0.955 109.758 108.800 0.004 0.000 2.513 361 G HA2 -0.287 3.677 3.960 0.007 0.000 0.219 361 G HA3 -0.287 3.677 3.960 0.007 0.000 0.219 361 G C 1.551 176.439 174.900 -0.021 0.000 1.160 361 G CA 0.732 45.819 45.100 -0.022 0.000 0.767 361 G HN 0.364 nan 8.290 nan 0.000 0.571 362 M N 0.809 120.408 119.600 -0.002 0.000 2.568 362 M HA 0.174 4.658 4.480 0.007 0.000 0.226 362 M C 0.258 176.561 176.300 0.004 0.000 1.148 362 M CA -0.293 55.006 55.300 -0.002 0.000 1.007 362 M CB 0.071 32.674 32.600 0.006 0.000 1.651 362 M HN 0.063 nan 8.290 nan 0.000 0.488 363 D N 0.880 121.290 120.400 0.016 0.000 2.586 363 D HA 0.099 4.743 4.640 0.007 0.000 0.234 363 D C 1.337 177.641 176.300 0.006 0.000 1.132 363 D CA 1.935 55.957 54.000 0.037 0.000 0.860 363 D CB 0.420 41.279 40.800 0.099 0.000 1.159 363 D HN 0.499 nan 8.370 nan 0.000 0.490 364 G N 3.085 111.891 108.800 0.011 0.000 2.168 364 G HA2 -0.361 3.603 3.960 0.007 0.000 0.263 364 G HA3 -0.361 3.603 3.960 0.007 0.000 0.263 364 G C 1.029 175.924 174.900 -0.008 0.000 0.977 364 G CA 0.539 45.638 45.100 -0.001 0.000 0.659 364 G HN 0.604 nan 8.290 nan 0.000 0.533 365 L N 0.124 121.343 121.223 -0.007 0.000 2.051 365 L HA -0.012 4.332 4.340 0.007 0.000 0.214 365 L C 2.502 179.369 176.870 -0.005 0.000 1.076 365 L CA 2.823 57.659 54.840 -0.008 0.000 0.758 365 L CB -0.339 41.718 42.059 -0.004 0.000 0.890 365 L HN 0.370 nan 8.230 nan 0.000 0.433 366 M N -0.846 118.753 119.600 -0.002 0.000 2.682 366 M HA -0.011 4.473 4.480 0.007 0.000 0.235 366 M C 0.726 177.024 176.300 -0.003 0.000 1.114 366 M CA 0.524 55.822 55.300 -0.002 0.000 1.053 366 M CB -1.113 31.485 32.600 -0.002 0.000 1.599 366 M HN 0.233 nan 8.290 nan 0.000 0.520 367 D N -0.456 119.941 120.400 -0.005 0.000 2.367 367 D HA 0.138 4.782 4.640 0.007 0.000 0.207 367 D C 1.719 178.016 176.300 -0.006 0.000 1.034 367 D CA 0.623 54.620 54.000 -0.005 0.000 0.861 367 D CB 0.365 41.161 40.800 -0.007 0.000 0.943 367 D HN 0.324 nan 8.370 nan 0.000 0.515 368 M N -0.533 119.064 119.600 -0.007 0.000 2.393 368 M HA 0.170 4.654 4.480 0.007 0.000 0.270 368 M C -0.198 176.100 176.300 -0.004 0.000 1.127 368 M CA 0.259 55.555 55.300 -0.007 0.000 1.104 368 M CB 2.131 34.725 32.600 -0.011 0.000 1.523 368 M HN -0.305 nan 8.290 nan 0.000 0.546 369 V N 1.397 121.310 119.914 -0.002 0.000 2.735 369 V HA 0.431 4.555 4.120 0.007 0.000 0.310 369 V C -0.896 175.199 176.094 0.002 0.000 1.061 369 V CA -0.674 61.627 62.300 0.001 0.000 0.913 369 V CB 2.136 33.960 31.823 0.002 0.000 1.005 369 V HN 0.349 nan 8.190 nan 0.000 0.428 370 Q N 3.611 123.414 119.800 0.004 0.000 2.456 370 Q HA 0.716 5.060 4.340 0.007 0.000 0.284 370 Q C -1.629 174.375 176.000 0.007 0.000 1.061 370 Q CA -0.993 54.813 55.803 0.004 0.000 0.799 370 Q CB 2.366 31.106 28.738 0.003 0.000 1.445 370 Q HN 0.562 nan 8.270 nan 0.000 0.411 371 L N 1.803 123.029 121.223 0.006 0.000 2.416 371 L HA 0.212 4.556 4.340 0.007 0.000 0.272 371 L C 0.426 177.301 176.870 0.008 0.000 1.161 371 L CA -0.168 54.676 54.840 0.007 0.000 0.845 371 L CB 0.362 42.424 42.059 0.004 0.000 1.119 371 L HN 0.636 nan 8.230 nan 0.000 0.464 372 K N 2.834 123.241 120.400 0.011 0.000 2.715 372 K HA -0.015 4.309 4.320 0.007 0.000 0.248 372 K C 1.075 177.681 176.600 0.010 0.000 1.276 372 K CA -0.191 56.104 56.287 0.013 0.000 1.209 372 K CB 0.042 32.554 32.500 0.020 0.000 1.509 372 K HN 0.328 nan 8.250 nan 0.000 0.261 373 R N 1.479 121.984 120.500 0.008 0.000 2.139 373 R HA -0.157 4.187 4.340 0.007 0.000 0.243 373 R C 0.533 176.839 176.300 0.009 0.000 1.145 373 R CA 1.777 57.880 56.100 0.007 0.000 0.976 373 R CB -0.213 30.090 30.300 0.006 0.000 0.866 373 R HN 0.434 nan 8.270 nan 0.000 0.449 374 E N -0.427 119.779 120.200 0.010 0.000 2.028 374 E HA 0.545 4.899 4.350 0.007 0.000 0.266 374 E C 0.190 176.799 176.600 0.015 0.000 0.962 374 E CA -0.105 56.303 56.400 0.012 0.000 0.784 374 E CB 0.287 29.994 29.700 0.011 0.000 1.114 374 E HN 0.570 nan 8.360 nan 0.000 0.414 375 G N -0.598 108.212 108.800 0.016 0.000 2.351 375 G HA2 0.197 4.161 3.960 0.007 0.000 0.279 375 G HA3 0.197 4.161 3.960 0.007 0.000 0.279 375 G C 0.873 175.785 174.900 0.019 0.000 1.297 375 G CA 0.270 45.382 45.100 0.021 0.000 0.886 375 G HN 1.187 nan 8.290 nan 0.000 0.493 376 V N 0.256 120.187 119.914 0.027 0.000 2.392 376 V HA -0.102 4.022 4.120 0.007 0.000 0.249 376 V C 2.738 178.820 176.094 -0.020 0.000 1.059 376 V CA 3.175 65.488 62.300 0.021 0.000 1.051 376 V CB -0.504 31.355 31.823 0.059 0.000 0.658 376 V HN 1.074 nan 8.190 nan 0.000 0.455 377 L N 1.558 122.761 121.223 -0.034 0.000 1.989 377 L HA 0.025 4.368 4.340 0.007 0.000 0.211 377 L C 2.437 179.295 176.870 -0.021 0.000 1.071 377 L CA 2.830 57.636 54.840 -0.056 0.000 0.749 377 L CB -1.646 40.390 42.059 -0.038 0.000 0.890 377 L HN 0.327 nan 8.230 nan 0.000 0.431 378 G N -0.732 108.067 108.800 -0.002 0.000 2.586 378 G HA2 -0.358 3.606 3.960 0.007 0.000 0.218 378 G HA3 -0.358 3.606 3.960 0.007 0.000 0.218 378 G C 1.304 176.215 174.900 0.019 0.000 1.216 378 G CA 1.056 46.162 45.100 0.011 0.000 0.786 378 G HN 0.523 nan 8.290 nan 0.000 0.583 379 D N 0.016 120.428 120.400 0.020 0.000 2.158 379 D HA -0.099 4.545 4.640 0.007 0.000 0.197 379 D C 2.665 178.988 176.300 0.040 0.000 0.995 379 D CA 1.673 55.691 54.000 0.030 0.000 0.846 379 D CB -0.653 40.166 40.800 0.032 0.000 0.941 379 D HN 0.294 nan 8.370 nan 0.000 0.456 380 T N 0.748 115.319 114.554 0.028 0.000 2.821 380 T HA -0.069 4.285 4.350 0.007 0.000 0.267 380 T C 2.306 177.049 174.700 0.072 0.000 1.046 380 T CA 0.438 62.566 62.100 0.047 0.000 1.139 380 T CB -0.232 68.637 68.868 0.003 0.000 0.871 380 T HN -0.026 nan 8.240 nan 0.000 0.454 381 V N 1.799 121.745 119.914 0.053 0.000 2.233 381 V HA -0.230 3.894 4.120 0.007 0.000 0.247 381 V C 2.673 178.812 176.094 0.074 0.000 1.050 381 V CA 1.984 64.324 62.300 0.067 0.000 1.010 381 V CB -0.581 31.268 31.823 0.043 0.000 0.637 381 V HN 0.280 nan 8.190 nan 0.000 0.444 382 R N 0.951 121.485 120.500 0.057 0.000 2.112 382 R HA -0.270 4.074 4.340 0.007 0.000 0.242 382 R C 2.303 178.643 176.300 0.066 0.000 1.137 382 R CA 2.619 58.752 56.100 0.054 0.000 0.944 382 R CB -0.857 29.468 30.300 0.042 0.000 0.857 382 R HN 0.744 nan 8.270 nan 0.000 0.435 383 E N -0.267 119.977 120.200 0.073 0.000 2.110 383 E HA -0.186 4.168 4.350 0.007 0.000 0.193 383 E C 2.033 178.695 176.600 0.102 0.000 0.988 383 E CA 1.440 57.889 56.400 0.081 0.000 0.804 383 E CB -0.301 29.454 29.700 0.091 0.000 0.745 383 E HN 0.479 nan 8.360 nan 0.000 0.458 384 L N 0.604 121.907 121.223 0.134 0.000 2.012 384 L HA -0.196 4.148 4.340 0.007 0.000 0.210 384 L C 2.705 179.663 176.870 0.147 0.000 1.073 384 L CA 1.752 56.693 54.840 0.169 0.000 0.748 384 L CB -0.339 41.850 42.059 0.216 0.000 0.891 384 L HN 0.129 nan 8.230 nan 0.000 0.431 385 K N -0.072 120.402 120.400 0.123 0.000 2.032 385 K HA -0.229 4.095 4.320 0.007 0.000 0.209 385 K C 2.005 178.660 176.600 0.091 0.000 1.048 385 K CA 1.780 58.130 56.287 0.105 0.000 0.927 385 K CB -0.170 32.376 32.500 0.076 0.000 0.712 385 K HN 0.337 nan 8.250 nan 0.000 0.441 386 E N 0.324 120.571 120.200 0.078 0.000 2.085 386 E HA -0.185 4.169 4.350 0.007 0.000 0.194 386 E C 2.103 178.759 176.600 0.094 0.000 0.994 386 E CA 1.077 57.520 56.400 0.071 0.000 0.801 386 E CB 0.010 29.741 29.700 0.052 0.000 0.743 386 E HN 0.215 nan 8.360 nan 0.000 0.453 387 R N 0.432 120.990 120.500 0.096 0.000 2.091 387 R HA -0.145 4.199 4.340 0.007 0.000 0.238 387 R C 2.394 178.818 176.300 0.208 0.000 1.136 387 R CA 1.131 57.313 56.100 0.138 0.000 0.959 387 R CB -0.377 29.955 30.300 0.053 0.000 0.856 387 R HN 0.124 nan 8.270 nan 0.000 0.437 388 A N 0.875 123.789 122.820 0.158 0.000 1.841 388 A HA -0.173 4.151 4.320 0.007 0.000 0.216 388 A C 2.372 180.034 177.584 0.130 0.000 1.199 388 A CA 1.875 53.992 52.037 0.134 0.000 0.621 388 A CB -0.970 18.103 19.000 0.121 0.000 0.835 388 A HN 0.120 nan 8.150 nan 0.000 0.445 389 V N 0.455 120.433 119.914 0.107 0.000 2.277 389 V HA -0.360 3.764 4.120 0.007 0.000 0.253 389 V C 2.604 178.776 176.094 0.129 0.000 1.067 389 V CA 2.296 64.652 62.300 0.094 0.000 1.047 389 V CB -1.008 30.856 31.823 0.069 0.000 0.649 389 V HN 0.570 nan 8.190 nan 0.000 0.447 390 L N -1.380 119.944 121.223 0.168 0.000 1.989 390 L HA -0.242 4.102 4.340 0.007 0.000 0.211 390 L C 2.390 179.431 176.870 0.285 0.000 1.071 390 L CA 2.284 57.258 54.840 0.223 0.000 0.749 390 L CB -0.741 41.474 42.059 0.259 0.000 0.890 390 L HN 0.319 nan 8.230 nan 0.000 0.431 391 F N 0.129 120.077 119.950 -0.003 0.000 2.120 391 F HA -0.350 4.181 4.527 0.006 0.000 0.300 391 F C 2.666 178.382 175.800 -0.140 0.000 1.095 391 F CA 1.554 59.251 58.000 -0.506 0.000 1.249 391 F CB 0.020 38.564 39.000 -0.760 0.000 0.995 391 F HN -0.004 nan 8.300 nan 0.000 0.480 392 M N -0.135 119.612 119.600 0.244 0.000 2.132 392 M HA -0.223 4.261 4.480 0.007 0.000 0.263 392 M C 1.979 178.373 176.300 0.156 0.000 1.065 392 M CA 1.719 57.125 55.300 0.177 0.000 1.122 392 M CB -0.370 32.288 32.600 0.097 0.000 1.365 392 M HN 0.127 nan 8.290 nan 0.000 0.411 393 E N -0.161 120.121 120.200 0.137 0.000 2.160 393 E HA -0.270 4.084 4.350 0.007 0.000 0.195 393 E C 1.754 178.431 176.600 0.128 0.000 0.991 393 E CA 1.282 57.748 56.400 0.110 0.000 0.810 393 E CB -0.122 29.634 29.700 0.094 0.000 0.742 393 E HN 0.539 nan 8.360 nan 0.000 0.466 394 E N 0.434 120.738 120.200 0.173 0.000 2.299 394 E HA -0.086 4.268 4.350 0.007 0.000 0.193 394 E C 1.935 178.706 176.600 0.285 0.000 0.998 394 E CA 0.176 56.695 56.400 0.198 0.000 0.851 394 E CB 0.172 29.975 29.700 0.171 0.000 0.795 394 E HN 0.228 nan 8.360 nan 0.000 0.492 395 I N 0.650 121.387 120.570 0.277 0.000 2.286 395 I HA -0.233 3.941 4.170 0.007 0.000 0.245 395 I C 2.226 178.390 176.117 0.078 0.000 1.104 395 I CA 0.768 62.181 61.300 0.187 0.000 1.397 395 I CB -0.090 38.038 38.000 0.215 0.000 1.072 395 I HN 0.176 nan 8.210 nan 0.000 0.417 396 I N 0.681 121.302 120.570 0.085 0.000 2.208 396 I HA -0.324 3.850 4.170 0.007 0.000 0.245 396 I C 2.671 178.812 176.117 0.040 0.000 1.097 396 I CA 1.566 62.894 61.300 0.047 0.000 1.363 396 I CB -0.374 37.654 38.000 0.047 0.000 1.051 396 I HN 0.314 nan 8.210 nan 0.000 0.413 397 E N 1.423 121.660 120.200 0.062 0.000 2.110 397 E HA -0.240 4.114 4.350 0.007 0.000 0.193 397 E C 2.098 178.725 176.600 0.043 0.000 0.988 397 E CA 1.327 57.759 56.400 0.054 0.000 0.804 397 E CB -0.020 29.721 29.700 0.067 0.000 0.745 397 E HN 0.497 nan 8.360 nan 0.000 0.458 398 A N 0.062 122.910 122.820 0.047 0.000 2.209 398 A HA 0.160 4.484 4.320 0.007 0.000 0.212 398 A C 1.683 179.241 177.584 -0.044 0.000 1.158 398 A CA 1.110 53.143 52.037 -0.006 0.000 0.742 398 A CB -0.396 18.546 19.000 -0.097 0.000 0.790 398 A HN 0.517 nan 8.150 nan 0.000 0.472 399 G N -2.985 105.800 108.800 -0.025 0.000 2.134 399 G HA2 0.344 4.308 3.960 0.007 0.000 0.209 399 G HA3 0.344 4.308 3.960 0.007 0.000 0.209 399 G C 1.085 175.959 174.900 -0.044 0.000 0.993 399 G CA 0.326 45.411 45.100 -0.025 0.000 0.669 399 G HN 2.423 nan 8.290 nan 0.000 0.519 400 G N -2.277 106.483 108.800 -0.065 0.000 2.371 400 G HA2 0.284 4.248 3.960 0.007 0.000 0.663 400 G HA3 0.284 4.248 3.960 0.007 0.000 0.663 400 G C 0.136 174.958 174.900 -0.129 0.000 1.311 400 G CA 0.274 45.321 45.100 -0.089 0.000 0.985 400 G HN 1.293 nan 8.290 nan 0.000 0.566 401 Y N 0.323 120.420 120.300 -0.338 0.000 2.053 401 Y HA -0.081 4.473 4.550 0.006 0.000 0.277 401 Y C 2.872 178.622 175.900 -0.250 0.000 1.159 401 Y CA 3.380 61.264 58.100 -0.360 0.000 1.125 401 Y CB -0.455 37.619 38.460 -0.644 0.000 0.969 401 Y HN 0.471 nan 8.280 nan 0.000 0.492 402 F N 0.485 120.366 119.950 -0.116 0.000 2.120 402 F HA -0.285 4.246 4.527 0.006 0.000 0.300 402 F C 2.279 177.960 175.800 -0.198 0.000 1.095 402 F CA 1.546 59.448 58.000 -0.163 0.000 1.249 402 F CB -1.375 37.567 39.000 -0.096 0.000 0.995 402 F HN 0.164 nan 8.300 nan 0.000 0.480 403 N N 0.450 119.140 118.700 -0.017 0.000 2.058 403 N HA -0.132 4.612 4.740 0.007 0.000 0.191 403 N C 2.142 177.473 175.510 -0.299 0.000 1.037 403 N CA 1.522 54.502 53.050 -0.116 0.000 0.848 403 N CB -0.921 37.502 38.487 -0.108 0.000 1.021 403 N HN 0.263 nan 8.380 nan 0.000 0.422 404 A N 1.025 123.573 122.820 -0.454 0.000 1.986 404 A HA -0.120 4.204 4.320 0.007 0.000 0.220 404 A C 2.503 179.750 177.584 -0.560 0.000 1.171 404 A CA 1.440 52.925 52.037 -0.919 0.000 0.640 404 A CB -0.724 17.851 19.000 -0.708 0.000 0.811 404 A HN 0.142 nan 8.150 nan 0.000 0.451 405 V N -0.101 119.644 119.914 -0.282 0.000 2.379 405 V HA -0.220 3.903 4.120 0.007 0.000 0.245 405 V C 2.260 178.316 176.094 -0.065 0.000 1.044 405 V CA 2.045 64.276 62.300 -0.115 0.000 1.036 405 V CB -0.806 30.896 31.823 -0.202 0.000 0.664 405 V HN 0.637 nan 8.190 nan 0.000 0.453 406 E N -0.157 119.990 120.200 -0.087 0.000 2.274 406 E HA -0.195 4.159 4.350 0.007 0.000 0.194 406 E C 2.052 178.634 176.600 -0.030 0.000 0.996 406 E CA 0.753 57.124 56.400 -0.050 0.000 0.840 406 E CB -0.068 29.604 29.700 -0.048 0.000 0.772 406 E HN 0.657 nan 8.360 nan 0.000 0.491 407 Q N -0.621 119.141 119.800 -0.062 0.000 2.403 407 Q HA 0.071 4.415 4.340 0.007 0.000 0.203 407 Q C 0.727 176.839 176.000 0.187 0.000 0.932 407 Q CA 0.402 56.232 55.803 0.046 0.000 0.945 407 Q CB 0.934 29.706 28.738 0.056 0.000 1.045 407 Q HN 0.374 nan 8.270 nan 0.000 0.511 408 G N 0.193 109.090 108.800 0.162 0.000 2.130 408 G HA2 -0.227 3.737 3.960 0.007 0.000 0.216 408 G HA3 -0.227 3.737 3.960 0.007 0.000 0.216 408 G C 0.230 175.265 174.900 0.225 0.000 0.999 408 G CA -0.171 45.029 45.100 0.167 0.000 0.686 408 G HN 0.308 nan 8.290 nan 0.000 0.515 409 F N -0.163 119.693 119.950 -0.156 0.000 2.408 409 F HA 0.291 4.822 4.527 0.006 0.000 0.300 409 F C 1.375 176.891 175.800 -0.473 0.000 1.090 409 F CA 0.128 57.902 58.000 -0.377 0.000 1.427 409 F CB -0.464 38.196 39.000 -0.566 0.000 1.070 409 F HN 0.232 nan 8.300 nan 0.000 0.549 410 F N -2.194 117.884 119.950 0.214 0.000 2.523 410 F HA 0.489 5.020 4.527 0.006 0.000 0.329 410 F C 0.765 176.597 175.800 0.054 0.000 1.061 410 F CA -1.665 56.410 58.000 0.125 0.000 0.967 410 F CB 1.055 40.062 39.000 0.011 0.000 1.218 410 F HN -0.447 nan 8.300 nan 0.000 0.480 411 V N 0.605 120.667 119.914 0.247 0.000 5.820 411 V HA -0.276 3.848 4.120 0.007 0.000 0.300 411 V C -0.633 175.518 176.094 0.094 0.000 0.585 411 V CA 0.914 63.303 62.300 0.147 0.000 0.629 411 V CB -1.927 29.959 31.823 0.106 0.000 0.291 411 V HN 0.914 nan 8.190 nan 0.000 0.887 412 D N 0.596 121.047 120.400 0.085 0.000 2.217 412 D HA 0.441 5.085 4.640 0.007 0.000 0.243 412 D C 1.221 177.534 176.300 0.021 0.000 1.054 412 D CA 0.239 54.260 54.000 0.035 0.000 0.838 412 D CB 2.103 42.904 40.800 0.001 0.000 1.162 412 D HN 0.464 nan 8.370 nan 0.000 0.472 413 S N 1.732 117.429 115.700 -0.005 0.000 2.555 413 S HA 0.081 4.555 4.470 0.007 0.000 0.230 413 S C 1.186 175.762 174.600 -0.040 0.000 0.978 413 S CA -0.378 57.800 58.200 -0.035 0.000 0.934 413 S CB 0.070 63.247 63.200 -0.038 0.000 0.766 413 S HN 0.464 nan 8.310 nan 0.000 0.533 414 G N 0.342 109.137 108.800 -0.010 0.000 2.539 414 G HA2 0.375 4.339 3.960 0.007 0.000 0.258 414 G HA3 0.375 4.339 3.960 0.007 0.000 0.258 414 G C -0.994 173.965 174.900 0.097 0.000 1.202 414 G CA -0.669 44.439 45.100 0.013 0.000 0.851 414 G HN 0.321 nan 8.290 nan 0.000 0.556 415 Y N 2.090 122.362 120.300 -0.047 0.000 2.821 415 Y HA 0.317 4.871 4.550 0.007 0.000 0.331 415 Y C 0.238 176.146 175.900 0.014 0.000 1.251 415 Y CA -2.199 55.898 58.100 -0.005 0.000 1.494 415 Y CB -0.954 37.501 38.460 -0.009 0.000 1.493 415 Y HN 0.504 nan 8.280 nan 0.000 0.496 416 Y N 7.094 127.301 120.300 -0.155 0.000 3.167 416 Y HA -0.138 4.416 4.550 0.006 0.000 0.354 416 Y C -1.059 174.632 175.900 -0.348 0.000 1.253 416 Y CA -0.449 57.487 58.100 -0.274 0.000 1.580 416 Y CB 0.726 39.040 38.460 -0.243 0.000 1.164 416 Y HN 0.482 nan 8.280 nan 0.000 0.617 417 P HA -0.211 nan 4.420 nan 0.000 0.222 417 P C -0.259 176.621 177.300 -0.700 0.000 1.147 417 P CA 1.136 63.362 63.100 -1.456 0.000 0.790 417 P CB -0.168 30.968 31.700 -0.941 0.000 0.780 418 E N 1.247 121.214 120.200 -0.387 0.000 2.900 418 E HA -0.127 4.227 4.350 0.007 0.000 0.259 418 E C 0.020 176.509 176.600 -0.185 0.000 0.918 418 E CA 0.253 56.529 56.400 -0.207 0.000 0.960 418 E CB 0.153 29.810 29.700 -0.072 0.000 0.908 418 E HN 0.013 nan 8.360 nan 0.000 0.511 419 R N 4.104 124.500 120.500 -0.173 0.000 2.538 419 R HA 0.226 4.569 4.340 0.007 0.000 0.292 419 R C -0.449 175.789 176.300 -0.104 0.000 1.008 419 R CA -0.627 55.380 56.100 -0.154 0.000 0.896 419 R CB 0.811 30.974 30.300 -0.228 0.000 1.187 419 R HN 0.514 nan 8.270 nan 0.000 0.440 420 N N 2.446 121.103 118.700 -0.072 0.000 2.230 420 N HA 0.104 4.848 4.740 0.007 0.000 0.202 420 N C 0.568 176.054 175.510 -0.041 0.000 1.119 420 N CA 0.809 53.830 53.050 -0.049 0.000 0.851 420 N CB 1.304 39.771 38.487 -0.033 0.000 0.990 420 N HN 0.956 nan 8.380 nan 0.000 0.497 421 G N 2.354 111.124 108.800 -0.050 0.000 2.203 421 G HA2 -0.279 3.685 3.960 0.007 0.000 0.263 421 G HA3 -0.279 3.685 3.960 0.007 0.000 0.263 421 G C 0.090 174.981 174.900 -0.014 0.000 1.012 421 G CA 0.747 45.827 45.100 -0.033 0.000 0.749 421 G HN 0.529 nan 8.290 nan 0.000 0.512 422 D N 0.187 120.580 120.400 -0.011 0.000 2.615 422 D HA 0.416 5.060 4.640 0.007 0.000 0.236 422 D C 1.111 177.419 176.300 0.013 0.000 1.233 422 D CA 0.190 54.190 54.000 0.000 0.000 0.829 422 D CB -0.170 40.629 40.800 -0.002 0.000 1.024 422 D HN 0.540 nan 8.370 nan 0.000 0.490 423 G N 0.258 109.070 108.800 0.020 0.000 2.599 423 G HA2 0.373 4.337 3.960 0.007 0.000 0.264 423 G HA3 0.373 4.337 3.960 0.007 0.000 0.264 423 G C -0.072 174.855 174.900 0.044 0.000 1.200 423 G CA -0.594 44.532 45.100 0.044 0.000 0.896 423 G HN 0.200 nan 8.290 nan 0.000 0.536 424 I N 1.406 122.009 120.570 0.056 0.000 2.322 424 I HA 0.364 4.538 4.170 0.007 0.000 0.292 424 I C 0.804 176.943 176.117 0.036 0.000 1.060 424 I CA -0.816 60.499 61.300 0.026 0.000 1.309 424 I CB 0.371 38.361 38.000 -0.016 0.000 1.415 424 I HN 0.447 nan 8.210 nan 0.000 0.492 425 A N 8.643 131.473 122.820 0.018 0.000 2.305 425 A HA 0.820 5.144 4.320 0.007 0.000 0.322 425 A C -0.073 177.503 177.584 -0.012 0.000 1.187 425 A CA -0.689 51.356 52.037 0.013 0.000 0.825 425 A CB 0.964 19.971 19.000 0.013 0.000 1.164 425 A HN 0.580 nan 8.150 nan 0.000 0.498 426 R N 1.730 122.217 120.500 -0.022 0.000 2.575 426 R HA 0.380 4.724 4.340 0.007 0.000 0.293 426 R C -1.329 174.948 176.300 -0.037 0.000 0.983 426 R CA -0.688 55.391 56.100 -0.034 0.000 0.887 426 R CB 1.771 32.045 30.300 -0.044 0.000 1.184 426 R HN 0.831 nan 8.270 nan 0.000 0.445 427 Q N 2.093 121.868 119.800 -0.042 0.000 2.288 427 Q HA 0.222 4.566 4.340 0.007 0.000 0.258 427 Q C 1.368 177.321 176.000 -0.079 0.000 0.957 427 Q CA -0.024 55.747 55.803 -0.053 0.000 0.919 427 Q CB 1.173 29.882 28.738 -0.047 0.000 1.185 427 Q HN 0.655 nan 8.270 nan 0.000 0.408 428 I N 2.078 122.587 120.570 -0.102 0.000 2.399 428 I HA -0.280 3.894 4.170 0.007 0.000 0.254 428 I C 0.520 176.524 176.117 -0.188 0.000 1.146 428 I CA 1.385 62.574 61.300 -0.185 0.000 1.412 428 I CB 0.260 38.151 38.000 -0.182 0.000 1.076 428 I HN 0.767 nan 8.210 nan 0.000 0.432 429 N N -0.420 118.206 118.700 -0.124 0.000 2.351 429 N HA 0.193 4.937 4.740 0.007 0.000 0.254 429 N C 0.221 175.683 175.510 -0.079 0.000 1.241 429 N CA 0.128 53.113 53.050 -0.108 0.000 0.883 429 N CB 0.721 39.152 38.487 -0.094 0.000 1.202 429 N HN 0.285 nan 8.380 nan 0.000 0.512 430 G N -0.757 108.000 108.800 -0.071 0.000 3.209 430 G HA2 0.714 4.678 3.960 0.007 0.000 0.236 430 G HA3 0.714 4.678 3.960 0.007 0.000 0.236 430 G C -0.065 174.809 174.900 -0.043 0.000 1.329 430 G CA -0.247 44.823 45.100 -0.050 0.000 1.015 430 G HN 0.471 nan 8.290 nan 0.000 0.571 431 G N -1.542 107.241 108.800 -0.028 0.000 2.746 431 G HA2 0.147 4.111 3.960 0.007 0.000 0.685 431 G HA3 0.147 4.111 3.960 0.007 0.000 0.685 431 G C -0.333 174.566 174.900 -0.001 0.000 1.350 431 G CA -0.443 44.648 45.100 -0.015 0.000 0.837 431 G HN 0.864 nan 8.290 nan 0.000 0.564 432 I N 1.636 122.221 120.570 0.025 0.000 2.775 432 I HA 0.353 4.527 4.170 0.007 0.000 0.290 432 I C 1.969 178.104 176.117 0.030 0.000 1.203 432 I CA 1.647 62.975 61.300 0.046 0.000 1.433 432 I CB -0.073 37.994 38.000 0.112 0.000 1.354 432 I HN 2.339 nan 8.210 nan 0.000 0.579 433 G N 4.544 113.360 108.800 0.027 0.000 2.176 433 G HA2 -0.165 3.799 3.960 0.007 0.000 0.253 433 G HA3 -0.165 3.799 3.960 0.007 0.000 0.253 433 G C 0.570 175.463 174.900 -0.012 0.000 0.979 433 G CA 0.063 45.175 45.100 0.019 0.000 0.641 433 G HN 1.114 nan 8.290 nan 0.000 0.530 434 A N 0.119 122.924 122.820 -0.025 0.000 2.545 434 A HA 0.595 4.919 4.320 0.007 0.000 0.253 434 A C 1.970 179.513 177.584 -0.069 0.000 1.074 434 A CA 2.013 54.018 52.037 -0.053 0.000 0.760 434 A CB -0.334 18.636 19.000 -0.050 0.000 1.005 434 A HN 2.424 nan 8.150 nan 0.000 0.506 435 G N 1.782 110.516 108.800 -0.109 0.000 2.144 435 G HA2 -0.181 3.782 3.960 0.007 0.000 0.218 435 G HA3 -0.181 3.782 3.960 0.007 0.000 0.218 435 G C 0.627 175.381 174.900 -0.243 0.000 0.988 435 G CA 0.974 45.981 45.100 -0.154 0.000 0.659 435 G HN 1.997 nan 8.290 nan 0.000 0.522 436 T N -2.067 112.362 114.554 -0.207 0.000 3.092 436 T HA 0.526 4.879 4.350 0.007 0.000 0.258 436 T C 0.704 175.213 174.700 -0.319 0.000 1.031 436 T CA 0.418 62.376 62.100 -0.237 0.000 0.925 436 T CB 0.889 69.790 68.868 0.054 0.000 1.036 436 T HN 0.660 nan 8.240 nan 0.000 0.544 437 V N 2.732 122.463 119.914 -0.305 0.000 2.470 437 V HA 0.411 4.535 4.120 0.007 0.000 0.276 437 V C -0.416 175.472 176.094 -0.344 0.000 1.040 437 V CA -0.500 61.697 62.300 -0.170 0.000 1.008 437 V CB -0.638 31.124 31.823 -0.101 0.000 0.990 437 V HN 0.379 nan 8.190 nan 0.000 0.477 438 F N 2.221 122.182 119.950 0.017 0.000 2.492 438 F HA 0.473 5.004 4.527 0.006 0.000 0.327 438 F C 0.499 176.300 175.800 0.001 0.000 1.079 438 F CA -0.730 57.281 58.000 0.017 0.000 0.967 438 F CB 1.407 40.430 39.000 0.037 0.000 1.169 438 F HN 0.461 nan 8.300 nan 0.000 0.472 439 E N 2.119 122.423 120.200 0.173 0.000 2.313 439 E HA 0.295 4.649 4.350 0.007 0.000 0.272 439 E C -0.620 176.016 176.600 0.060 0.000 1.038 439 E CA -0.712 55.732 56.400 0.073 0.000 0.863 439 E CB 0.883 30.608 29.700 0.042 0.000 1.060 439 E HN 0.563 nan 8.360 nan 0.000 0.402 440 R N 2.591 123.074 120.500 -0.029 0.000 2.340 440 R HA 0.131 4.474 4.340 0.007 0.000 0.300 440 R C -0.720 175.588 176.300 0.013 0.000 1.069 440 R CA -0.405 55.662 56.100 -0.055 0.000 0.984 440 R CB 0.619 30.803 30.300 -0.193 0.000 1.003 440 R HN 0.473 nan 8.270 nan 0.000 0.459 441 D N 1.302 121.781 120.400 0.132 0.000 2.312 441 D HA -0.060 4.584 4.640 0.007 0.000 0.248 441 D C 1.165 177.561 176.300 0.160 0.000 1.086 441 D CA -0.287 53.784 54.000 0.119 0.000 0.948 441 D CB 0.865 41.748 40.800 0.138 0.000 1.162 441 D HN 0.517 nan 8.370 nan 0.000 0.446 442 E N 1.052 121.315 120.200 0.105 0.000 2.171 442 E HA -0.247 4.107 4.350 0.007 0.000 0.197 442 E C -0.329 176.469 176.600 0.330 0.000 0.997 442 E CA 1.283 57.779 56.400 0.160 0.000 0.810 442 E CB 0.075 29.834 29.700 0.099 0.000 0.738 442 E HN 0.521 nan 8.360 nan 0.000 0.467 443 D N -0.992 119.561 120.400 0.254 0.000 2.670 443 D HA 0.005 4.649 4.640 0.007 0.000 0.255 443 D C -0.043 176.398 176.300 0.235 0.000 1.286 443 D CA -0.724 53.407 54.000 0.218 0.000 0.830 443 D CB -1.209 39.663 40.800 0.121 0.000 1.065 443 D HN 0.149 nan 8.370 nan 0.000 0.486 444 Y N 1.486 121.918 120.300 0.219 0.000 2.497 444 Y HA 0.344 4.898 4.550 0.007 0.000 0.334 444 Y C 0.007 175.979 175.900 0.121 0.000 1.199 444 Y CA -0.067 58.141 58.100 0.179 0.000 1.425 444 Y CB 0.571 39.180 38.460 0.248 0.000 1.291 444 Y HN 0.091 nan 8.280 nan 0.000 0.562 445 M N 5.279 124.483 119.600 -0.660 0.000 2.426 445 M HA 0.610 5.094 4.480 0.007 0.000 0.289 445 M C -2.303 173.609 176.300 -0.647 0.000 1.168 445 M CA -0.450 54.574 55.300 -0.461 0.000 0.933 445 M CB 1.763 34.268 32.600 -0.158 0.000 1.750 445 M HN 0.790 nan 8.290 nan 0.000 0.494 446 A N 5.520 128.043 122.820 -0.496 0.000 2.353 446 A HA 0.863 5.187 4.320 0.007 0.000 0.299 446 A C -2.691 174.697 177.584 -0.326 0.000 1.089 446 A CA -1.083 50.675 52.037 -0.464 0.000 0.736 446 A CB 1.381 19.986 19.000 -0.659 0.000 1.195 446 A HN 0.578 nan 8.150 nan 0.000 0.447 447 P HA 0.186 nan 4.420 nan 0.000 0.249 447 P C 0.112 177.316 177.300 -0.161 0.000 1.544 447 P CA 0.278 63.258 63.100 -0.200 0.000 0.932 447 P CB -0.363 31.217 31.700 -0.200 0.000 1.524 448 V N -4.522 115.290 119.914 -0.171 0.000 3.229 448 V HA 0.722 4.846 4.120 0.007 0.000 0.310 448 V C 0.032 176.062 176.094 -0.107 0.000 1.206 448 V CA -0.720 61.497 62.300 -0.139 0.000 1.051 448 V CB 1.149 32.886 31.823 -0.142 0.000 1.183 448 V HN -0.152 nan 8.190 nan 0.000 0.466 449 T N 0.072 114.548 114.554 -0.130 0.000 2.948 449 T HA 0.708 5.062 4.350 0.007 0.000 0.285 449 T C 0.373 174.996 174.700 -0.129 0.000 1.019 449 T CA 0.280 62.299 62.100 -0.134 0.000 1.013 449 T CB 1.140 69.857 68.868 -0.251 0.000 1.117 449 T HN 2.312 nan 8.240 nan 0.000 0.533 450 A N 1.593 124.371 122.820 -0.069 0.000 2.251 450 A HA -0.176 4.147 4.320 0.007 0.000 0.283 450 A C -0.121 177.530 177.584 0.112 0.000 1.415 450 A CA 0.777 52.826 52.037 0.019 0.000 0.742 450 A CB -2.170 16.785 19.000 -0.075 0.000 1.151 450 A HN 0.977 nan 8.150 nan 0.000 0.354 451 H N -0.025 119.070 119.070 0.042 0.000 2.646 451 H HA 0.555 5.115 4.556 0.007 0.000 0.328 451 H C 0.277 175.679 175.328 0.122 0.000 0.998 451 H CA -0.371 55.728 56.048 0.086 0.000 1.225 451 H CB 0.355 30.153 29.762 0.060 0.000 1.457 451 H HN 0.487 nan 8.280 nan 0.000 0.505 452 F N 3.606 123.373 119.950 -0.304 0.000 2.146 452 F HA 0.183 4.714 4.527 0.007 0.000 0.298 452 F C 1.239 176.947 175.800 -0.153 0.000 1.096 452 F CA 1.305 59.201 58.000 -0.174 0.000 1.275 452 F CB -0.214 38.703 39.000 -0.140 0.000 1.008 452 F HN 0.586 nan 8.300 nan 0.000 0.480 453 G N -1.342 107.218 108.800 -0.400 0.000 2.509 453 G HA2 0.078 4.042 3.960 0.007 0.000 0.269 453 G HA3 0.078 4.042 3.960 0.007 0.000 0.269 453 G C -1.407 173.473 174.900 -0.033 0.000 1.416 453 G CA -0.417 44.524 45.100 -0.266 0.000 1.052 453 G HN 0.312 nan 8.290 nan 0.000 0.542 454 Y N 0.798 121.068 120.300 -0.049 0.000 2.465 454 Y HA 0.374 4.928 4.550 0.007 0.000 0.331 454 Y C -0.265 175.781 175.900 0.245 0.000 1.102 454 Y CA -0.347 57.780 58.100 0.045 0.000 1.358 454 Y CB 0.569 39.033 38.460 0.006 0.000 1.213 454 Y HN 0.302 nan 8.280 nan 0.000 0.525 455 N N 5.440 123.931 118.700 -0.348 0.000 2.540 455 N HA 0.098 4.842 4.740 0.007 0.000 0.275 455 N C -1.530 173.737 175.510 -0.405 0.000 1.053 455 N CA -0.564 52.368 53.050 -0.195 0.000 0.876 455 N CB 0.461 38.943 38.487 -0.010 0.000 1.284 455 N HN 0.645 nan 8.380 nan 0.000 0.518 456 N N 2.893 121.380 118.700 -0.355 0.000 2.892 456 N HA 0.044 4.788 4.740 0.007 0.000 0.300 456 N C 0.764 176.255 175.510 -0.033 0.000 1.211 456 N CA 0.116 53.059 53.050 -0.178 0.000 1.158 456 N CB 0.094 38.583 38.487 0.002 0.000 1.455 456 N HN 0.303 nan 8.380 nan 0.000 0.524 457 V N 1.915 121.796 119.914 -0.054 0.000 2.878 457 V HA -0.105 4.019 4.120 0.007 0.000 0.250 457 V C 2.247 178.373 176.094 0.053 0.000 1.075 457 V CA 0.996 63.303 62.300 0.011 0.000 1.096 457 V CB -0.247 31.556 31.823 -0.034 0.000 0.724 457 V HN 0.567 nan 8.190 nan 0.000 0.467 458 K N 1.420 121.821 120.400 0.001 0.000 2.173 458 K HA -0.302 4.022 4.320 0.007 0.000 0.207 458 K C 1.980 178.578 176.600 -0.004 0.000 1.046 458 K CA 2.336 58.622 56.287 -0.001 0.000 0.929 458 K CB -0.253 32.235 32.500 -0.019 0.000 0.720 458 K HN 0.717 nan 8.250 nan 0.000 0.453 459 Q N -1.582 118.209 119.800 -0.015 0.000 2.515 459 Q HA -0.131 4.213 4.340 0.007 0.000 0.212 459 Q C 0.547 176.368 176.000 -0.298 0.000 0.970 459 Q CA 0.991 56.708 55.803 -0.143 0.000 0.941 459 Q CB 0.045 28.675 28.738 -0.181 0.000 0.998 459 Q HN 0.490 nan 8.270 nan 0.000 0.518 460 Y N -0.791 119.490 120.300 -0.031 0.000 2.572 460 Y HA 0.303 4.857 4.550 0.007 0.000 0.274 460 Y C -0.265 175.619 175.900 -0.027 0.000 1.135 460 Y CA -0.411 57.670 58.100 -0.031 0.000 1.230 460 Y CB 1.344 39.779 38.460 -0.041 0.000 1.293 460 Y HN 0.100 nan 8.280 nan 0.000 0.501 461 D N -0.337 120.134 120.400 0.118 0.000 2.296 461 D HA 0.196 4.840 4.640 0.007 0.000 0.224 461 D C 0.560 176.878 176.300 0.030 0.000 1.324 461 D CA 0.706 54.740 54.000 0.057 0.000 0.940 461 D CB 0.569 41.401 40.800 0.052 0.000 1.492 461 D HN 0.256 nan 8.370 nan 0.000 0.531 462 E N 1.706 121.916 120.200 0.016 0.000 2.273 462 E HA -0.089 4.265 4.350 0.007 0.000 0.198 462 E C 1.552 178.156 176.600 0.006 0.000 1.002 462 E CA 1.695 58.099 56.400 0.006 0.000 0.828 462 E CB -0.225 29.476 29.700 0.002 0.000 0.747 462 E HN 0.497 nan 8.360 nan 0.000 0.491 463 A N -0.927 121.898 122.820 0.008 0.000 2.275 463 A HA 0.467 4.791 4.320 0.007 0.000 0.212 463 A C 1.514 179.102 177.584 0.006 0.000 1.201 463 A CA 0.306 52.347 52.037 0.006 0.000 0.843 463 A CB 0.308 19.312 19.000 0.007 0.000 0.873 463 A HN 0.341 nan 8.150 nan 0.000 0.492 464 L N -0.510 120.717 121.223 0.006 0.000 2.700 464 L HA 0.159 4.503 4.340 0.007 0.000 0.234 464 L C 1.686 178.554 176.870 -0.004 0.000 1.156 464 L CA 0.630 55.471 54.840 0.001 0.000 0.946 464 L CB 0.264 42.322 42.059 -0.002 0.000 1.216 464 L HN 0.160 nan 8.230 nan 0.000 0.493 465 V N -0.682 119.230 119.914 -0.003 0.000 2.720 465 V HA -0.169 3.955 4.120 0.007 0.000 0.256 465 V C 1.999 178.090 176.094 -0.005 0.000 1.082 465 V CA 1.741 64.035 62.300 -0.011 0.000 1.101 465 V CB -0.623 31.193 31.823 -0.013 0.000 0.693 465 V HN 0.695 nan 8.190 nan 0.000 0.479 466 S N -1.469 114.234 115.700 0.004 0.000 2.554 466 S HA 0.204 4.678 4.470 0.007 0.000 0.226 466 S C 0.618 175.231 174.600 0.022 0.000 0.980 466 S CA -0.272 57.937 58.200 0.015 0.000 0.939 466 S CB 0.268 63.480 63.200 0.020 0.000 0.832 466 S HN 0.531 nan 8.310 nan 0.000 0.486 467 E N 0.988 121.194 120.200 0.011 0.000 3.843 467 E HA 0.244 4.598 4.350 0.007 0.000 0.189 467 E C -2.421 174.173 176.600 -0.011 0.000 1.013 467 E CA -1.369 55.038 56.400 0.010 0.000 1.395 467 E CB 0.768 30.476 29.700 0.014 0.000 1.136 467 E HN 0.241 nan 8.360 nan 0.000 0.444 468 P HA -0.224 nan 4.420 nan 0.000 0.219 468 P C 1.613 178.873 177.300 -0.067 0.000 1.145 468 P CA 1.618 64.687 63.100 -0.051 0.000 0.813 468 P CB 0.104 31.766 31.700 -0.063 0.000 0.771 469 S N -0.785 114.882 115.700 -0.054 0.000 2.447 469 S HA -0.119 4.354 4.470 0.007 0.000 0.233 469 S C 1.713 176.283 174.600 -0.051 0.000 1.006 469 S CA 0.848 59.011 58.200 -0.062 0.000 0.957 469 S CB -0.843 62.325 63.200 -0.053 0.000 0.773 469 S HN 0.188 nan 8.310 nan 0.000 0.507 470 K N 0.427 120.806 120.400 -0.036 0.000 2.360 470 K HA 0.076 4.400 4.320 0.007 0.000 0.201 470 K C 1.641 178.215 176.600 -0.044 0.000 1.046 470 K CA 0.536 56.806 56.287 -0.029 0.000 0.945 470 K CB -0.309 32.182 32.500 -0.015 0.000 0.750 470 K HN 0.240 nan 8.250 nan 0.000 0.464 471 L N 1.003 122.186 121.223 -0.067 0.000 2.191 471 L HA -0.087 4.257 4.340 0.007 0.000 0.212 471 L C 1.655 178.466 176.870 -0.098 0.000 1.103 471 L CA 1.696 56.480 54.840 -0.094 0.000 0.769 471 L CB -0.285 41.688 42.059 -0.143 0.000 0.908 471 L HN 0.238 nan 8.230 nan 0.000 0.438 472 I N -5.207 115.311 120.570 -0.087 0.000 3.817 472 I HA 0.309 4.483 4.170 0.007 0.000 0.325 472 I C -0.786 175.298 176.117 -0.054 0.000 1.550 472 I CA -0.305 60.948 61.300 -0.078 0.000 1.100 472 I CB 0.328 38.273 38.000 -0.091 0.000 1.216 472 I HN -0.112 nan 8.210 nan 0.000 0.481 473 D N 2.278 122.652 120.400 -0.044 0.000 2.800 473 D HA -0.082 4.562 4.640 0.007 0.000 0.248 473 D C 0.680 176.965 176.300 -0.025 0.000 1.091 473 D CA 1.626 55.608 54.000 -0.029 0.000 0.746 473 D CB -1.289 39.496 40.800 -0.024 0.000 1.062 473 D HN 1.071 nan 8.370 nan 0.000 0.431 474 G N -0.792 107.993 108.800 -0.026 0.000 2.880 474 G HA2 -0.104 3.859 3.960 0.007 0.000 0.686 474 G HA3 -0.104 3.859 3.960 0.007 0.000 0.686 474 G C 0.796 175.673 174.900 -0.039 0.000 1.505 474 G CA -0.080 45.007 45.100 -0.023 0.000 1.057 474 G HN 1.240 nan 8.290 nan 0.000 0.599 475 C N 0.737 120.004 119.300 -0.055 0.000 2.328 475 C HA 0.861 5.325 4.460 0.007 0.000 0.378 475 C C 2.432 177.387 174.990 -0.059 0.000 1.249 475 C CA 0.576 59.551 59.018 -0.072 0.000 2.204 475 C CB 0.842 28.517 27.740 -0.109 0.000 2.218 475 C HN 1.920 nan 8.230 nan 0.000 0.564 476 T N -0.662 113.858 114.554 -0.057 0.000 2.848 476 T HA -0.183 4.171 4.350 0.007 0.000 0.269 476 T C 1.345 176.020 174.700 -0.042 0.000 1.081 476 T CA 1.500 63.580 62.100 -0.034 0.000 1.125 476 T CB -0.660 68.193 68.868 -0.025 0.000 0.848 476 T HN 0.654 nan 8.240 nan 0.000 0.503 477 L N 0.050 121.193 121.223 -0.134 0.000 2.549 477 L HA 0.037 4.381 4.340 0.007 0.000 0.230 477 L C 1.999 178.913 176.870 0.073 0.000 1.162 477 L CA 1.569 56.273 54.840 -0.227 0.000 0.834 477 L CB -0.420 41.189 42.059 -0.749 0.000 0.947 477 L HN 0.514 nan 8.230 nan 0.000 0.452 478 E N -2.258 117.980 120.200 0.064 0.000 2.633 478 E HA 0.096 4.450 4.350 0.007 0.000 0.214 478 E C -0.018 176.621 176.600 0.064 0.000 0.898 478 E CA -0.022 56.447 56.400 0.116 0.000 1.422 478 E CB 1.204 30.968 29.700 0.108 0.000 1.398 478 E HN 0.016 nan 8.360 nan 0.000 0.752 479 V N 3.006 122.939 119.914 0.032 0.000 2.271 479 V HA 0.175 4.299 4.120 0.007 0.000 0.259 479 V C -2.109 173.995 176.094 0.016 0.000 1.030 479 V CA -1.147 61.164 62.300 0.018 0.000 0.957 479 V CB 0.839 32.664 31.823 0.004 0.000 1.186 479 V HN 0.027 nan 8.190 nan 0.000 0.471 480 P HA -0.151 nan 4.420 nan 0.000 0.217 480 P C 1.248 178.558 177.300 0.016 0.000 1.148 480 P CA 1.137 64.253 63.100 0.026 0.000 0.828 480 P CB 0.374 32.087 31.700 0.022 0.000 0.783 481 E N -0.138 120.067 120.200 0.007 0.000 2.265 481 E HA -0.150 4.204 4.350 0.007 0.000 0.196 481 E C 1.611 178.217 176.600 0.010 0.000 0.996 481 E CA 0.982 57.385 56.400 0.004 0.000 0.832 481 E CB -0.768 28.931 29.700 -0.001 0.000 0.756 481 E HN 0.334 nan 8.360 nan 0.000 0.491 482 K N 0.275 120.680 120.400 0.008 0.000 2.439 482 K HA 0.039 4.363 4.320 0.007 0.000 0.197 482 K C 0.167 176.776 176.600 0.015 0.000 1.041 482 K CA 0.177 56.467 56.287 0.005 0.000 0.970 482 K CB -0.067 32.429 32.500 -0.006 0.000 0.773 482 K HN 0.190 nan 8.250 nan 0.000 0.479 483 I N 2.375 122.962 120.570 0.027 0.000 2.578 483 I HA -0.075 4.099 4.170 0.007 0.000 0.286 483 I C 0.084 176.243 176.117 0.070 0.000 1.126 483 I CA -0.184 61.144 61.300 0.047 0.000 1.380 483 I CB 0.473 38.513 38.000 0.066 0.000 1.408 483 I HN -0.227 nan 8.210 nan 0.000 0.532 484 V N 7.885 127.836 119.914 0.061 0.000 2.637 484 V HA -0.047 4.077 4.120 0.007 0.000 0.296 484 V C -0.273 175.898 176.094 0.128 0.000 1.046 484 V CA 0.030 62.377 62.300 0.078 0.000 1.066 484 V CB 0.606 32.452 31.823 0.039 0.000 0.968 484 V HN 0.453 nan 8.190 nan 0.000 0.483 485 Y N 5.498 125.807 120.300 0.015 0.000 2.352 485 Y HA 0.616 5.170 4.550 0.006 0.000 0.339 485 Y C -0.433 175.478 175.900 0.017 0.000 0.992 485 Y CA -1.087 57.026 58.100 0.021 0.000 1.100 485 Y CB 1.213 39.691 38.460 0.028 0.000 1.192 485 Y HN 0.405 nan 8.280 nan 0.000 0.458 486 I N 5.831 126.126 120.570 -0.460 0.000 2.404 486 I HA 0.183 4.357 4.170 0.007 0.000 0.293 486 I C 0.107 175.873 176.117 -0.584 0.000 0.992 486 I CA -0.470 60.622 61.300 -0.346 0.000 1.149 486 I CB 1.373 39.247 38.000 -0.210 0.000 1.315 486 I HN 0.819 nan 8.210 nan 0.000 0.446 487 D N 3.781 124.052 120.400 -0.215 0.000 2.357 487 D HA 0.090 4.734 4.640 0.007 0.000 0.284 487 D C 0.133 176.389 176.300 -0.074 0.000 1.184 487 D CA 0.436 54.386 54.000 -0.083 0.000 0.973 487 D CB 0.493 41.374 40.800 0.135 0.000 0.945 487 D HN 0.353 nan 8.370 nan 0.000 0.279 488 E N 0.771 120.966 120.200 -0.009 0.000 2.331 488 E HA 0.113 4.467 4.350 0.007 0.000 0.272 488 E C 0.339 176.925 176.600 -0.023 0.000 1.036 488 E CA -0.069 56.324 56.400 -0.012 0.000 0.864 488 E CB 1.435 31.144 29.700 0.014 0.000 1.035 488 E HN 0.312 nan 8.360 nan 0.000 0.408 489 L N 1.070 122.276 121.223 -0.029 0.000 2.616 489 L HA 0.144 4.488 4.340 0.007 0.000 0.229 489 L C 0.219 177.078 176.870 -0.017 0.000 1.110 489 L CA 0.442 55.265 54.840 -0.029 0.000 0.884 489 L CB 0.487 42.522 42.059 -0.041 0.000 1.115 489 L HN 0.400 nan 8.230 nan 0.000 0.481 490 D N -0.983 119.411 120.400 -0.009 0.000 2.671 490 D HA 0.259 4.903 4.640 0.007 0.000 0.232 490 D C 0.468 176.771 176.300 0.005 0.000 1.114 490 D CA 0.553 54.551 54.000 -0.003 0.000 0.858 490 D CB 2.351 43.150 40.800 -0.003 0.000 1.544 490 D HN 0.005 nan 8.370 nan 0.000 0.471 491 E N 2.031 122.234 120.200 0.005 0.000 2.250 491 E HA -0.036 4.318 4.350 0.007 0.000 0.192 491 E C 1.075 177.680 176.600 0.009 0.000 0.986 491 E CA 0.957 57.362 56.400 0.009 0.000 0.849 491 E CB -0.515 29.189 29.700 0.007 0.000 0.797 491 E HN 0.646 nan 8.360 nan 0.000 0.482 492 N N -0.345 118.359 118.700 0.007 0.000 2.257 492 N HA 0.099 4.842 4.740 0.007 0.000 0.200 492 N C -0.085 175.429 175.510 0.007 0.000 1.163 492 N CA 0.234 53.288 53.050 0.007 0.000 0.891 492 N CB 0.913 39.403 38.487 0.006 0.000 1.067 492 N HN 0.121 nan 8.380 nan 0.000 0.497 493 D N 0.945 121.350 120.400 0.009 0.000 2.479 493 D HA 0.223 4.867 4.640 0.007 0.000 0.247 493 D C -1.068 175.245 176.300 0.021 0.000 1.119 493 D CA -0.260 53.748 54.000 0.012 0.000 0.922 493 D CB -0.247 40.561 40.800 0.013 0.000 1.014 493 D HN 0.446 nan 8.370 nan 0.000 0.510 494 N N -0.715 117.999 118.700 0.025 0.000 3.227 494 N HA 0.048 4.792 4.740 0.007 0.000 0.241 494 N C 0.011 175.552 175.510 0.051 0.000 1.480 494 N CA -0.852 52.228 53.050 0.049 0.000 0.886 494 N CB 0.890 39.406 38.487 0.047 0.000 1.406 494 N HN -0.179 nan 8.380 nan 0.000 0.514 495 V N 0.512 120.488 119.914 0.103 0.000 2.407 495 V HA -0.181 3.943 4.120 0.007 0.000 0.248 495 V C 1.325 177.428 176.094 0.014 0.000 1.055 495 V CA 1.858 64.203 62.300 0.075 0.000 1.049 495 V CB -0.986 30.950 31.823 0.188 0.000 0.662 495 V HN 0.678 nan 8.190 nan 0.000 0.455 496 N N -0.057 118.664 118.700 0.034 0.000 2.142 496 N HA -0.126 4.617 4.740 0.007 0.000 0.186 496 N C 1.794 177.305 175.510 0.002 0.000 1.023 496 N CA 1.743 54.804 53.050 0.018 0.000 0.852 496 N CB -0.343 38.162 38.487 0.030 0.000 0.998 496 N HN 0.429 nan 8.380 nan 0.000 0.424 497 V N 1.758 121.674 119.914 0.003 0.000 2.343 497 V HA -0.192 3.931 4.120 0.007 0.000 0.247 497 V C 2.564 178.644 176.094 -0.024 0.000 1.051 497 V CA 1.422 63.719 62.300 -0.006 0.000 1.036 497 V CB -0.412 31.409 31.823 -0.003 0.000 0.654 497 V HN 0.253 nan 8.190 nan 0.000 0.451 498 R N -0.940 119.536 120.500 -0.040 0.000 2.073 498 R HA -0.128 4.216 4.340 0.007 0.000 0.234 498 R C 2.378 178.627 176.300 -0.085 0.000 1.134 498 R CA 1.667 57.716 56.100 -0.084 0.000 0.952 498 R CB -0.214 30.014 30.300 -0.121 0.000 0.850 498 R HN 0.386 nan 8.270 nan 0.000 0.433 499 M N 0.089 119.647 119.600 -0.070 0.000 2.132 499 M HA -0.145 4.339 4.480 0.007 0.000 0.263 499 M C 1.968 178.254 176.300 -0.024 0.000 1.065 499 M CA 1.271 56.535 55.300 -0.059 0.000 1.122 499 M CB -0.530 32.038 32.600 -0.054 0.000 1.365 499 M HN 0.148 nan 8.290 nan 0.000 0.411 500 E N 0.492 120.684 120.200 -0.013 0.000 2.401 500 E HA -0.177 4.177 4.350 0.007 0.000 0.199 500 E C 1.648 178.257 176.600 0.014 0.000 1.023 500 E CA 0.668 57.070 56.400 0.004 0.000 0.859 500 E CB 0.054 29.757 29.700 0.004 0.000 0.780 500 E HN 0.363 nan 8.360 nan 0.000 0.523 501 E N -0.139 120.063 120.200 0.002 0.000 2.208 501 E HA -0.079 4.275 4.350 0.007 0.000 0.193 501 E C 1.078 177.709 176.600 0.052 0.000 0.988 501 E CA 1.237 57.646 56.400 0.014 0.000 0.828 501 E CB 0.256 29.946 29.700 -0.017 0.000 0.763 501 E HN 0.230 nan 8.360 nan 0.000 0.478 502 T N -3.296 111.290 114.554 0.054 0.000 3.331 502 T HA 0.324 4.678 4.350 0.007 0.000 0.282 502 T C 1.351 176.153 174.700 0.170 0.000 1.010 502 T CA 0.401 62.585 62.100 0.140 0.000 0.928 502 T CB 0.672 69.564 68.868 0.039 0.000 1.154 502 T HN 0.030 nan 8.240 nan 0.000 0.516 503 K N 1.410 121.870 120.400 0.101 0.000 2.089 503 K HA -0.104 4.220 4.320 0.007 0.000 0.210 503 K C 2.326 178.966 176.600 0.066 0.000 1.048 503 K CA 2.217 58.543 56.287 0.065 0.000 0.926 503 K CB -1.879 30.641 32.500 0.032 0.000 0.714 503 K HN 0.807 nan 8.250 nan 0.000 0.448 504 E N -0.523 119.720 120.200 0.072 0.000 2.331 504 E HA 0.008 4.362 4.350 0.007 0.000 0.199 504 E C 1.410 177.860 176.600 -0.249 0.000 1.008 504 E CA 1.217 57.553 56.400 -0.107 0.000 0.843 504 E CB -0.621 28.960 29.700 -0.198 0.000 0.761 504 E HN 0.780 nan 8.360 nan 0.000 0.507 505 F N -0.877 119.069 119.950 -0.007 0.000 2.708 505 F HA 0.414 4.945 4.527 0.006 0.000 0.300 505 F C 0.767 176.559 175.800 -0.013 0.000 1.118 505 F CA -0.162 57.834 58.000 -0.007 0.000 1.307 505 F CB 0.724 39.721 39.000 -0.004 0.000 0.986 505 F HN 0.086 nan 8.300 nan 0.000 0.522 510 M N 1.802 121.341 119.600 -0.102 0.000 2.043 510 M HA 0.573 5.057 4.480 0.007 0.000 0.272 510 M C 0.418 176.753 176.300 0.059 0.000 1.279 510 M CA -0.275 54.970 55.300 -0.090 0.000 1.109 510 M CB -0.189 32.211 32.600 -0.332 0.000 1.377 510 M HN 0.599 nan 8.290 nan 0.000 0.469 511 I N -0.086 120.582 120.570 0.163 0.000 2.842 511 I HA 0.396 4.570 4.170 0.007 0.000 0.296 511 I C -1.657 174.596 176.117 0.227 0.000 1.538 511 I CA -0.522 60.910 61.300 0.220 0.000 0.994 511 I CB 2.094 40.160 38.000 0.109 0.000 1.372 511 I HN 0.784 nan 8.210 nan 0.000 0.478 512 K N 4.787 125.278 120.400 0.152 0.000 2.587 512 K HA 0.588 4.912 4.320 0.007 0.000 0.276 512 K C -3.113 173.466 176.600 -0.036 0.000 0.956 512 K CA -1.552 54.768 56.287 0.054 0.000 0.857 512 K CB 1.255 33.786 32.500 0.052 0.000 1.431 512 K HN 0.098 nan 8.250 nan 0.000 0.420 513 P HA -0.028 nan 4.420 nan 0.000 0.265 513 P C -1.099 176.113 177.300 -0.146 0.000 1.193 513 P CA 0.264 63.303 63.100 -0.102 0.000 0.765 513 P CB 0.491 32.118 31.700 -0.121 0.000 0.823 514 E N 0.840 120.960 120.200 -0.134 0.000 2.423 514 E HA 0.490 4.844 4.350 0.007 0.000 0.269 514 E C -0.325 176.129 176.600 -0.243 0.000 0.948 514 E CA -0.987 55.314 56.400 -0.164 0.000 0.802 514 E CB 1.474 31.148 29.700 -0.043 0.000 1.339 514 E HN 0.152 nan 8.360 nan 0.000 0.445 515 V N -2.861 116.796 119.914 -0.428 0.000 3.368 515 V HA 0.226 4.350 4.120 0.007 0.000 0.255 515 V C 1.069 176.700 176.094 -0.772 0.000 1.466 515 V CA 1.014 62.893 62.300 -0.702 0.000 1.095 515 V CB -0.232 30.619 31.823 -1.619 0.000 0.899 515 V HN 0.862 nan 8.190 nan 0.000 0.440 516 E N -1.837 118.002 120.200 -0.600 0.000 2.879 516 E HA 0.187 4.540 4.350 0.007 0.000 0.206 516 E C 0.095 176.708 176.600 0.023 0.000 0.969 516 E CA -0.420 55.667 56.400 -0.520 0.000 1.496 516 E CB 0.240 29.623 29.700 -0.528 0.000 1.454 516 E HN 0.443 nan 8.360 nan 0.000 0.750 517 W N 2.703 123.939 121.300 -0.106 0.000 2.627 517 W HA 0.464 5.128 4.660 0.007 0.000 0.339 517 W C -0.015 176.455 176.519 -0.083 0.000 1.058 517 W CA -1.791 55.517 57.345 -0.063 0.000 1.223 517 W CB 1.141 30.553 29.460 -0.080 0.000 1.389 517 W HN 0.081 nan 8.180 nan 0.000 0.541 518 Q N 1.548 121.435 119.800 0.144 0.000 2.262 518 Q HA 0.268 4.612 4.340 0.007 0.000 0.298 518 Q C 0.939 176.859 176.000 -0.134 0.000 1.083 518 Q CA 1.616 57.414 55.803 -0.008 0.000 0.962 518 Q CB 0.231 28.945 28.738 -0.040 0.000 1.104 518 Q HN 0.678 nan 8.270 nan 0.000 0.376 519 A N 3.792 126.475 122.820 -0.229 0.000 2.905 519 A HA -0.242 4.082 4.320 0.007 0.000 0.260 519 A C 0.703 178.123 177.584 -0.272 0.000 1.398 519 A CA 1.101 52.882 52.037 -0.427 0.000 0.840 519 A CB -2.150 16.237 19.000 -1.021 0.000 1.059 519 A HN 1.038 nan 8.150 nan 0.000 0.647 520 D N -1.165 119.148 120.400 -0.145 0.000 2.351 520 D HA 0.254 4.898 4.640 0.007 0.000 0.216 520 D C 1.648 177.848 176.300 -0.168 0.000 0.968 520 D CA 1.451 55.382 54.000 -0.114 0.000 0.899 520 D CB -0.813 39.920 40.800 -0.110 0.000 0.907 520 D HN 2.015 nan 8.370 nan 0.000 0.514 521 G N -1.098 107.583 108.800 -0.198 0.000 2.159 521 G HA2 -0.252 3.712 3.960 0.007 0.000 0.256 521 G HA3 -0.252 3.712 3.960 0.007 0.000 0.256 521 G C 0.247 175.018 174.900 -0.215 0.000 0.977 521 G CA 0.426 45.408 45.100 -0.197 0.000 0.652 521 G HN 0.511 nan 8.290 nan 0.000 0.531 522 T N 0.924 115.320 114.554 -0.263 0.000 2.806 522 T HA 0.608 4.962 4.350 0.007 0.000 0.290 522 T C 0.510 175.029 174.700 -0.302 0.000 0.966 522 T CA 0.221 62.136 62.100 -0.309 0.000 1.060 522 T CB 2.133 70.727 68.868 -0.457 0.000 0.927 522 T HN 1.334 nan 8.240 nan 0.000 0.485 523 V N 1.862 121.653 119.914 -0.204 0.000 3.046 523 V HA 0.855 4.979 4.120 0.007 0.000 0.316 523 V C -0.811 175.268 176.094 -0.026 0.000 1.104 523 V CA -1.341 60.884 62.300 -0.125 0.000 1.006 523 V CB 1.779 33.559 31.823 -0.072 0.000 1.058 523 V HN 0.689 nan 8.190 nan 0.000 0.440 524 L N 3.137 124.397 121.223 0.061 0.000 2.307 524 L HA 0.835 5.179 4.340 0.007 0.000 0.284 524 L C -0.989 175.943 176.870 0.104 0.000 1.023 524 L CA -0.538 54.404 54.840 0.171 0.000 0.810 524 L CB 1.440 43.684 42.059 0.307 0.000 1.231 524 L HN 0.883 nan 8.230 nan 0.000 0.423 525 L N 4.499 125.779 121.223 0.095 0.000 2.376 525 L HA 0.671 5.014 4.340 0.007 0.000 0.275 525 L C -0.990 175.915 176.870 0.059 0.000 0.987 525 L CA 0.113 54.992 54.840 0.065 0.000 0.828 525 L CB 1.850 43.941 42.059 0.053 0.000 1.249 525 L HN 0.681 nan 8.230 nan 0.000 0.409 526 T N 7.151 121.736 114.554 0.051 0.000 2.791 526 T HA 0.710 5.064 4.350 0.007 0.000 0.288 526 T C -0.036 174.685 174.700 0.035 0.000 0.999 526 T CA -0.429 61.700 62.100 0.048 0.000 0.952 526 T CB 0.909 69.810 68.868 0.056 0.000 0.938 526 T HN 0.781 nan 8.240 nan 0.000 0.444 527 M N 1.712 121.331 119.600 0.032 0.000 2.744 527 M HA 0.848 5.332 4.480 0.007 0.000 0.283 527 M C -1.831 174.531 176.300 0.103 0.000 1.275 527 M CA -1.243 54.073 55.300 0.027 0.000 0.796 527 M CB 2.445 35.005 32.600 -0.067 0.000 1.739 527 M HN 0.473 nan 8.290 nan 0.000 0.454 528 F N 2.145 122.053 119.950 -0.070 0.000 2.745 528 F HA 0.614 5.145 4.527 0.005 0.000 0.343 528 F C -2.256 173.514 175.800 -0.049 0.000 1.196 528 F CA -0.690 57.283 58.000 -0.044 0.000 1.021 528 F CB 1.206 40.187 39.000 -0.031 0.000 1.297 528 F HN 0.512 nan 8.300 nan 0.000 0.486 529 L N 6.946 127.840 121.223 -0.548 0.000 2.307 529 L HA 0.499 4.843 4.340 0.007 0.000 0.282 529 L C -2.334 174.147 176.870 -0.648 0.000 1.051 529 L CA -2.066 52.532 54.840 -0.404 0.000 0.804 529 L CB 1.286 43.247 42.059 -0.164 0.000 1.197 529 L HN 0.435 nan 8.230 nan 0.000 0.431 530 P HA 0.164 nan 4.420 nan 0.000 0.238 530 P C -0.386 176.848 177.300 -0.109 0.000 1.794 530 P CA 0.226 63.219 63.100 -0.179 0.000 1.088 530 P CB 0.444 32.167 31.700 0.037 0.000 1.923 531 T N -0.123 114.342 114.554 -0.150 0.000 2.717 531 T HA 0.344 4.698 4.350 0.007 0.000 0.315 531 T C -0.687 173.972 174.700 -0.068 0.000 1.746 531 T CA -0.452 61.607 62.100 -0.070 0.000 1.001 531 T CB 0.348 69.195 68.868 -0.035 0.000 1.673 531 T HN 0.085 nan 8.240 nan 0.000 0.498 532 S N 1.474 117.157 115.700 -0.027 0.000 2.560 532 S HA 0.119 4.593 4.470 0.007 0.000 0.276 532 S C 1.463 176.057 174.600 -0.011 0.000 1.350 532 S CA 0.863 59.054 58.200 -0.015 0.000 1.024 532 S CB 0.397 63.597 63.200 0.001 0.000 0.864 532 S HN 1.008 nan 8.310 nan 0.000 0.536 533 K N 1.768 122.167 120.400 -0.002 0.000 2.211 533 K HA -0.076 4.248 4.320 0.007 0.000 0.203 533 K C 2.213 178.838 176.600 0.041 0.000 1.050 533 K CA 1.088 57.377 56.287 0.004 0.000 0.945 533 K CB -0.170 32.333 32.500 0.004 0.000 0.732 533 K HN 0.652 nan 8.250 nan 0.000 0.451 534 R N 0.919 121.459 120.500 0.067 0.000 2.100 534 R HA 0.026 4.370 4.340 0.007 0.000 0.220 534 R C 2.001 178.430 176.300 0.215 0.000 1.091 534 R CA 0.589 56.774 56.100 0.142 0.000 0.986 534 R CB 0.007 30.375 30.300 0.115 0.000 0.888 534 R HN 0.073 nan 8.270 nan 0.000 0.444 535 V N 1.327 121.312 119.914 0.117 0.000 2.237 535 V HA -0.244 3.880 4.120 0.007 0.000 0.245 535 V C 2.468 178.650 176.094 0.148 0.000 1.046 535 V CA 2.062 64.431 62.300 0.116 0.000 1.007 535 V CB -0.783 31.069 31.823 0.048 0.000 0.638 535 V HN 0.545 nan 8.190 nan 0.000 0.445 536 A N -0.312 122.554 122.820 0.076 0.000 1.927 536 A HA -0.367 3.957 4.320 0.007 0.000 0.220 536 A C 2.256 179.880 177.584 0.067 0.000 1.185 536 A CA 2.478 54.542 52.037 0.045 0.000 0.639 536 A CB -0.735 18.238 19.000 -0.044 0.000 0.820 536 A HN 0.714 nan 8.150 nan 0.000 0.451 537 E N -1.550 118.689 120.200 0.064 0.000 2.130 537 E HA -0.214 4.140 4.350 0.007 0.000 0.196 537 E C 1.524 178.061 176.600 -0.106 0.000 0.998 537 E CA 1.552 57.934 56.400 -0.030 0.000 0.806 537 E CB -0.228 29.431 29.700 -0.068 0.000 0.738 537 E HN 0.687 nan 8.360 nan 0.000 0.459 538 F N -0.264 119.700 119.950 0.022 0.000 2.530 538 F HA 0.255 4.785 4.527 0.006 0.000 0.292 538 F C 2.278 178.099 175.800 0.034 0.000 1.109 538 F CA 0.524 58.537 58.000 0.022 0.000 1.450 538 F CB -0.022 38.983 39.000 0.007 0.000 1.114 538 F HN 0.086 nan 8.300 nan 0.000 0.560 539 A N 0.135 123.088 122.820 0.221 0.000 1.930 539 A HA -0.039 4.285 4.320 0.007 0.000 0.217 539 A C 2.331 180.084 177.584 0.282 0.000 1.175 539 A CA 1.595 53.745 52.037 0.189 0.000 0.627 539 A CB -1.071 18.057 19.000 0.214 0.000 0.815 539 A HN 0.270 nan 8.150 nan 0.000 0.443 540 A N -0.279 122.680 122.820 0.232 0.000 2.014 540 A HA 0.038 4.362 4.320 0.007 0.000 0.218 540 A C 1.886 179.580 177.584 0.184 0.000 1.163 540 A CA 1.291 53.472 52.037 0.240 0.000 0.652 540 A CB -0.363 18.692 19.000 0.091 0.000 0.808 540 A HN 0.413 nan 8.150 nan 0.000 0.449 541 I N -0.192 120.433 120.570 0.093 0.000 2.546 541 I HA -0.094 4.080 4.170 0.007 0.000 0.255 541 I C 2.174 178.329 176.117 0.062 0.000 1.163 541 I CA 0.964 62.293 61.300 0.048 0.000 1.457 541 I CB -1.087 36.902 38.000 -0.018 0.000 1.092 541 I HN 0.293 nan 8.210 nan 0.000 0.434 542 E N 0.885 121.114 120.200 0.048 0.000 2.028 542 E HA -0.138 4.216 4.350 0.007 0.000 0.190 542 E C 2.236 178.797 176.600 -0.064 0.000 0.984 542 E CA 1.077 57.450 56.400 -0.046 0.000 0.800 542 E CB -0.459 29.156 29.700 -0.142 0.000 0.758 542 E HN 0.302 nan 8.360 nan 0.000 0.448 543 F N 1.564 121.533 119.950 0.032 0.000 2.043 543 F HA -0.299 4.231 4.527 0.005 0.000 0.297 543 F C 2.531 178.350 175.800 0.030 0.000 1.118 543 F CA 1.486 59.505 58.000 0.031 0.000 1.202 543 F CB -1.184 37.834 39.000 0.030 0.000 0.965 543 F HN 0.033 nan 8.300 nan 0.000 0.482 544 A N 0.056 123.012 122.820 0.228 0.000 1.903 544 A HA -0.275 4.049 4.320 0.007 0.000 0.219 544 A C 2.335 179.974 177.584 0.091 0.000 1.191 544 A CA 2.115 54.230 52.037 0.129 0.000 0.638 544 A CB -0.672 18.381 19.000 0.088 0.000 0.823 544 A HN 0.238 nan 8.150 nan 0.000 0.451 545 K N 0.050 120.491 120.400 0.069 0.000 2.044 545 K HA -0.151 4.173 4.320 0.007 0.000 0.210 545 K C 1.648 178.282 176.600 0.056 0.000 1.049 545 K CA 1.755 58.070 56.287 0.048 0.000 0.927 545 K CB -0.426 32.090 32.500 0.028 0.000 0.713 545 K HN 0.593 nan 8.250 nan 0.000 0.443 546 K N 0.386 120.821 120.400 0.059 0.000 2.555 546 K HA 0.051 4.375 4.320 0.007 0.000 0.193 546 K C 1.453 178.110 176.600 0.094 0.000 1.032 546 K CA 0.508 56.833 56.287 0.063 0.000 1.004 546 K CB -0.034 32.491 32.500 0.042 0.000 0.804 546 K HN 0.199 nan 8.250 nan 0.000 0.496 547 M N 0.529 120.194 119.600 0.107 0.000 2.475 547 M HA 0.133 4.617 4.480 0.007 0.000 0.283 547 M C -0.593 175.785 176.300 0.130 0.000 1.165 547 M CA -0.114 55.257 55.300 0.118 0.000 0.976 547 M CB 0.239 32.907 32.600 0.113 0.000 1.428 547 M HN 0.009 nan 8.290 nan 0.000 0.495 548 N N 1.443 120.211 118.700 0.114 0.000 2.780 548 N HA -0.114 4.629 4.740 0.007 0.000 0.248 548 N C -1.030 174.514 175.510 0.058 0.000 1.102 548 N CA 0.659 53.784 53.050 0.124 0.000 0.697 548 N CB -1.726 36.913 38.487 0.253 0.000 1.028 548 N HN 0.445 nan 8.380 nan 0.000 0.554 549 L N 0.306 121.548 121.223 0.032 0.000 2.325 549 L HA 0.352 4.696 4.340 0.007 0.000 0.279 549 L C 0.809 177.675 176.870 -0.006 0.000 1.054 549 L CA -0.438 54.396 54.840 -0.010 0.000 0.804 549 L CB 1.083 43.143 42.059 0.001 0.000 1.200 549 L HN -0.065 nan 8.230 nan 0.000 0.436 550 E N 1.392 121.574 120.200 -0.029 0.000 2.212 550 E HA 0.211 4.565 4.350 0.007 0.000 0.270 550 E C -0.316 176.274 176.600 -0.017 0.000 0.956 550 E CA -0.720 55.670 56.400 -0.017 0.000 0.825 550 E CB 1.309 30.995 29.700 -0.023 0.000 1.167 550 E HN 0.563 nan 8.360 nan 0.000 0.400 551 E N -1.032 119.165 120.200 -0.006 0.000 2.149 551 E HA -0.176 4.178 4.350 0.007 0.000 0.191 551 E C -0.441 176.156 176.600 -0.005 0.000 1.384 551 E CA 0.026 56.424 56.400 -0.004 0.000 0.698 551 E CB -1.941 27.755 29.700 -0.006 0.000 1.086 551 E HN 0.095 nan 8.360 nan 0.000 0.338 552 V N 1.477 121.390 119.914 -0.002 0.000 2.485 552 V HA 0.005 4.128 4.120 0.007 0.000 0.287 552 V C 0.879 176.967 176.094 -0.009 0.000 1.022 552 V CA 0.677 62.977 62.300 0.001 0.000 1.067 552 V CB 0.688 32.516 31.823 0.007 0.000 0.967 552 V HN 0.356 nan 8.190 nan 0.000 0.479 553 E N 3.347 123.546 120.200 -0.002 0.000 2.210 553 E HA 0.398 4.752 4.350 0.007 0.000 0.266 553 E C -1.069 175.519 176.600 -0.019 0.000 0.883 553 E CA -0.833 55.558 56.400 -0.015 0.000 0.761 553 E CB 2.544 32.245 29.700 0.002 0.000 1.156 553 E HN 0.437 nan 8.360 nan 0.000 0.412 554 V N 5.064 124.944 119.914 -0.057 0.000 2.485 554 V HA -0.010 4.114 4.120 0.007 0.000 0.287 554 V C 1.225 177.294 176.094 -0.042 0.000 1.022 554 V CA 0.690 62.955 62.300 -0.058 0.000 1.067 554 V CB 0.008 31.768 31.823 -0.105 0.000 0.967 554 V HN 0.653 nan 8.190 nan 0.000 0.479 555 I N 1.331 121.885 120.570 -0.028 0.000 4.181 555 I HA 0.483 4.657 4.170 0.007 0.000 0.331 555 I C 0.491 176.573 176.117 -0.060 0.000 1.312 555 I CA 0.159 61.433 61.300 -0.043 0.000 1.146 555 I CB 0.538 38.513 38.000 -0.042 0.000 1.074 555 I HN 0.604 nan 8.210 nan 0.000 0.402 556 N N 1.519 120.192 118.700 -0.045 0.000 2.431 556 N HA 0.434 5.178 4.740 0.007 0.000 0.275 556 N C -1.629 173.862 175.510 -0.030 0.000 1.091 556 N CA -0.539 52.484 53.050 -0.045 0.000 0.922 556 N CB 1.784 40.240 38.487 -0.051 0.000 1.666 556 N HN 0.129 nan 8.380 nan 0.000 0.484 557 R N 1.740 122.223 120.500 -0.028 0.000 2.451 557 R HA 0.438 4.781 4.340 0.007 0.000 0.307 557 R C -0.907 175.388 176.300 -0.009 0.000 0.965 557 R CA -0.673 55.416 56.100 -0.018 0.000 0.865 557 R CB 1.743 32.031 30.300 -0.019 0.000 1.174 557 R HN 0.437 nan 8.270 nan 0.000 0.455 558 E N 2.333 122.535 120.200 0.003 0.000 2.158 558 E HA 0.243 4.597 4.350 0.007 0.000 0.271 558 E C -0.549 176.066 176.600 0.025 0.000 0.911 558 E CA -0.916 55.492 56.400 0.013 0.000 0.767 558 E CB 2.571 32.283 29.700 0.020 0.000 1.120 558 E HN 0.144 nan 8.360 nan 0.000 0.405 559 V N 4.997 124.924 119.914 0.021 0.000 2.555 559 V HA -0.039 4.085 4.120 0.007 0.000 0.286 559 V C 1.200 177.329 176.094 0.058 0.000 1.044 559 V CA 0.141 62.458 62.300 0.028 0.000 1.026 559 V CB 0.820 32.653 31.823 0.018 0.000 0.981 559 V HN 0.783 nan 8.190 nan 0.000 0.480 560 M N 2.283 121.944 119.600 0.102 0.000 2.102 560 M HA 0.115 4.599 4.480 0.007 0.000 0.259 560 M C 0.720 177.071 176.300 0.085 0.000 1.083 560 M CA 1.469 56.849 55.300 0.132 0.000 1.141 560 M CB -0.323 32.444 32.600 0.279 0.000 1.318 560 M HN 0.641 nan 8.290 nan 0.000 0.421 561 Q N 0.317 120.168 119.800 0.085 0.000 2.284 561 Q HA 0.168 4.512 4.340 0.007 0.000 0.269 561 Q C 0.053 176.075 176.000 0.037 0.000 1.026 561 Q CA -0.009 55.825 55.803 0.052 0.000 0.831 561 Q CB 2.480 31.250 28.738 0.053 0.000 1.322 561 Q HN 0.411 nan 8.270 nan 0.000 0.419 562 E N 2.381 122.594 120.200 0.022 0.000 2.181 562 E HA -0.361 3.992 4.350 0.007 0.000 0.225 562 E C 1.088 177.693 176.600 0.009 0.000 1.073 562 E CA 2.690 59.098 56.400 0.012 0.000 0.916 562 E CB 0.192 29.898 29.700 0.011 0.000 0.793 562 E HN 0.695 nan 8.360 nan 0.000 0.472 563 A N 0.412 123.241 122.820 0.016 0.000 1.898 563 A HA -0.112 4.212 4.320 0.007 0.000 0.214 563 A C 1.929 179.524 177.584 0.019 0.000 1.183 563 A CA 1.073 53.119 52.037 0.014 0.000 0.622 563 A CB -0.222 18.789 19.000 0.018 0.000 0.824 563 A HN 0.179 nan 8.150 nan 0.000 0.444 564 E N -0.472 119.754 120.200 0.044 0.000 2.274 564 E HA 0.200 4.554 4.350 0.007 0.000 0.194 564 E C 0.902 177.559 176.600 0.096 0.000 0.996 564 E CA 0.946 57.398 56.400 0.087 0.000 0.840 564 E CB -0.045 29.730 29.700 0.124 0.000 0.772 564 E HN 0.637 nan 8.360 nan 0.000 0.491 565 G N -0.611 108.182 108.800 -0.012 0.000 2.350 565 G HA2 0.129 4.093 3.960 0.007 0.000 0.305 565 G HA3 0.129 4.093 3.960 0.007 0.000 0.305 565 G C -1.095 173.617 174.900 -0.314 0.000 1.479 565 G CA -0.711 44.180 45.100 -0.347 0.000 0.949 565 G HN -0.071 nan 8.290 nan 0.000 0.651 566 T N 0.497 114.713 114.554 -0.565 0.000 2.881 566 T HA 0.593 4.947 4.350 0.007 0.000 0.290 566 T C 0.202 174.772 174.700 -0.217 0.000 1.000 566 T CA -0.685 61.273 62.100 -0.237 0.000 0.978 566 T CB 1.936 70.712 68.868 -0.153 0.000 0.997 566 T HN 0.719 nan 8.240 nan 0.000 0.443 567 R N 3.077 123.607 120.500 0.051 0.000 2.438 567 R HA 0.470 4.814 4.340 0.007 0.000 0.287 567 R C -0.925 175.394 176.300 0.031 0.000 1.077 567 R CA -0.252 55.922 56.100 0.123 0.000 1.034 567 R CB 0.299 30.694 30.300 0.159 0.000 0.993 567 R HN 0.438 nan 8.270 nan 0.000 0.459 568 I N 3.594 124.182 120.570 0.029 0.000 2.569 568 I HA 0.254 4.428 4.170 0.007 0.000 0.290 568 I C -0.754 175.374 176.117 0.019 0.000 1.088 568 I CA -0.606 60.697 61.300 0.006 0.000 1.047 568 I CB 2.118 40.111 38.000 -0.011 0.000 1.237 568 I HN 0.738 nan 8.210 nan 0.000 0.421 569 E N 6.029 126.236 120.200 0.011 0.000 2.176 569 E HA 0.643 4.997 4.350 0.007 0.000 0.267 569 E C -1.383 175.233 176.600 0.027 0.000 0.893 569 E CA -0.820 55.596 56.400 0.025 0.000 0.761 569 E CB 2.806 32.517 29.700 0.019 0.000 1.133 569 E HN 0.216 nan 8.360 nan 0.000 0.409 570 L N 2.728 123.982 121.223 0.050 0.000 2.342 570 L HA 0.415 4.758 4.340 0.007 0.000 0.271 570 L C -0.406 176.527 176.870 0.105 0.000 1.008 570 L CA -0.693 54.181 54.840 0.056 0.000 0.818 570 L CB 1.558 43.642 42.059 0.043 0.000 1.296 570 L HN 0.442 nan 8.230 nan 0.000 0.427 571 K N 0.437 120.907 120.400 0.116 0.000 2.221 571 K HA 0.919 5.243 4.320 0.007 0.000 0.258 571 K C -0.396 176.238 176.600 0.055 0.000 0.944 571 K CA -0.696 55.681 56.287 0.152 0.000 0.823 571 K CB 2.027 34.705 32.500 0.298 0.000 1.113 571 K HN 0.621 nan 8.250 nan 0.000 0.431 572 G N 1.520 110.324 108.800 0.007 0.000 2.680 572 G HA2 0.461 4.425 3.960 0.007 0.000 0.290 572 G HA3 0.461 4.425 3.960 0.007 0.000 0.290 572 G C -1.637 173.214 174.900 -0.082 0.000 1.355 572 G CA -1.158 43.925 45.100 -0.028 0.000 0.903 572 G HN 0.633 nan 8.290 nan 0.000 0.474 573 R N 0.176 120.621 120.500 -0.091 0.000 2.460 573 R HA 0.576 4.919 4.340 0.007 0.000 0.303 573 R C -0.968 175.227 176.300 -0.176 0.000 0.968 573 R CA -0.485 55.535 56.100 -0.134 0.000 0.889 573 R CB 1.651 31.887 30.300 -0.108 0.000 1.123 573 R HN 0.263 nan 8.270 nan 0.000 0.455 574 V N 7.058 126.820 119.914 -0.254 0.000 2.385 574 V HA 0.243 4.367 4.120 0.007 0.000 0.269 574 V C -1.651 174.169 176.094 -0.456 0.000 1.043 574 V CA -1.430 60.596 62.300 -0.456 0.000 0.906 574 V CB 1.374 32.868 31.823 -0.549 0.000 0.995 574 V HN 0.848 nan 8.190 nan 0.000 0.467 575 P HA 0.146 nan 4.420 nan 0.000 0.253 575 P C -0.412 176.873 177.300 -0.025 0.000 1.260 575 P CA 0.334 63.343 63.100 -0.152 0.000 0.800 575 P CB -0.096 31.595 31.700 -0.015 0.000 1.162 576 F N -2.929 117.049 119.950 0.047 0.000 2.629 576 F HA 0.780 5.311 4.527 0.006 0.000 0.316 576 F C -0.034 175.816 175.800 0.083 0.000 1.081 576 F CA -1.628 56.410 58.000 0.062 0.000 0.954 576 F CB 0.368 39.393 39.000 0.042 0.000 1.337 576 F HN -0.461 nan 8.300 nan 0.000 0.474 577 S N 0.473 116.418 115.700 0.407 0.000 2.748 577 S HA 0.833 5.307 4.470 0.007 0.000 0.299 577 S C -1.402 173.356 174.600 0.264 0.000 1.119 577 S CA -0.554 57.828 58.200 0.302 0.000 0.997 577 S CB 1.691 65.026 63.200 0.225 0.000 1.223 577 S HN 0.532 nan 8.310 nan 0.000 0.541 578 I N 1.217 121.886 120.570 0.165 0.000 2.627 578 I HA 0.236 4.410 4.170 0.007 0.000 0.288 578 I C -1.432 174.721 176.117 0.059 0.000 1.202 578 I CA -0.289 61.073 61.300 0.103 0.000 1.050 578 I CB 1.994 40.061 38.000 0.112 0.000 1.264 578 I HN 0.545 nan 8.210 nan 0.000 0.429 579 D N 6.014 126.429 120.400 0.025 0.000 2.348 579 D HA 0.237 4.881 4.640 0.007 0.000 0.253 579 D C 1.308 177.612 176.300 0.007 0.000 1.161 579 D CA -0.085 53.917 54.000 0.003 0.000 0.876 579 D CB 0.987 41.778 40.800 -0.015 0.000 1.160 579 D HN 0.309 nan 8.370 nan 0.000 0.459 580 I N 3.417 123.991 120.570 0.006 0.000 2.208 580 I HA -0.253 3.921 4.170 0.007 0.000 0.245 580 I C 1.540 177.657 176.117 0.000 0.000 1.097 580 I CA 1.035 62.338 61.300 0.006 0.000 1.363 580 I CB -0.913 37.089 38.000 0.004 0.000 1.051 580 I HN 0.557 nan 8.210 nan 0.000 0.413 581 N N 0.736 119.432 118.700 -0.006 0.000 2.520 581 N HA -0.076 4.668 4.740 0.007 0.000 0.185 581 N C 1.433 176.939 175.510 -0.007 0.000 1.068 581 N CA 0.659 53.705 53.050 -0.008 0.000 0.911 581 N CB -0.146 38.333 38.487 -0.012 0.000 0.961 581 N HN 0.273 nan 8.380 nan 0.000 0.446 582 S N 0.022 115.718 115.700 -0.006 0.000 2.597 582 S HA 0.235 4.709 4.470 0.007 0.000 0.224 582 S C 0.635 175.233 174.600 -0.003 0.000 0.955 582 S CA -0.240 57.956 58.200 -0.007 0.000 0.933 582 S CB 0.466 63.660 63.200 -0.009 0.000 0.788 582 S HN 0.192 nan 8.310 nan 0.000 0.488 583 L N 2.495 123.718 121.223 -0.000 0.000 2.292 583 L HA 0.378 4.722 4.340 0.007 0.000 0.284 583 L C -0.440 176.430 176.870 0.000 0.000 1.065 583 L CA -0.649 54.193 54.840 0.002 0.000 0.806 583 L CB 1.318 43.380 42.059 0.006 0.000 1.175 583 L HN 0.010 nan 8.230 nan 0.000 0.431 584 V N 5.116 125.031 119.914 0.001 0.000 2.406 584 V HA 0.391 4.515 4.120 0.007 0.000 0.272 584 V C 0.075 176.171 176.094 0.002 0.000 1.043 584 V CA -0.232 62.068 62.300 -0.000 0.000 0.915 584 V CB 1.052 32.875 31.823 -0.001 0.000 0.988 584 V HN 0.494 nan 8.190 nan 0.000 0.466 585 I N 6.198 126.769 120.570 0.001 0.000 2.497 585 I HA 0.428 4.602 4.170 0.007 0.000 0.284 585 I C -1.888 174.230 176.117 0.002 0.000 1.060 585 I CA -1.391 59.911 61.300 0.003 0.000 1.071 585 I CB 2.065 40.066 38.000 0.002 0.000 1.216 585 I HN 0.545 nan 8.210 nan 0.000 0.442 586 P HA 0.472 nan 4.420 nan 0.000 0.288 586 P C -2.482 174.820 177.300 0.004 0.000 1.291 586 P CA -0.546 62.557 63.100 0.004 0.000 0.766 586 P CB -0.312 31.392 31.700 0.005 0.000 1.242 592 L N 3.792 125.014 121.223 -0.002 0.000 2.453 592 L HA 0.486 4.830 4.340 0.007 0.000 0.261 592 L C 0.776 177.632 176.870 -0.023 0.000 1.179 592 L CA -0.019 54.809 54.840 -0.019 0.000 0.813 592 L CB 0.974 43.011 42.059 -0.037 0.000 1.110 592 L HN 0.783 nan 8.230 nan 0.000 0.466 593 S N -0.510 115.175 115.700 -0.024 0.000 2.541 593 S HA 0.433 4.906 4.470 0.007 0.000 0.283 593 S C 0.949 175.540 174.600 -0.014 0.000 1.196 593 S CA -0.202 57.989 58.200 -0.015 0.000 1.062 593 S CB 1.590 64.785 63.200 -0.009 0.000 1.009 593 S HN 0.688 nan 8.310 nan 0.000 0.502 594 E N 1.551 121.766 120.200 0.024 0.000 2.233 594 E HA -0.257 4.097 4.350 0.007 0.000 0.199 594 E C 1.242 177.913 176.600 0.118 0.000 1.004 594 E CA 2.088 58.558 56.400 0.117 0.000 0.819 594 E CB -1.043 28.820 29.700 0.270 0.000 0.738 594 E HN 0.814 nan 8.360 nan 0.000 0.478 595 D N -0.825 119.612 120.400 0.061 0.000 2.194 595 D HA 0.034 4.678 4.640 0.007 0.000 0.204 595 D C 2.371 178.684 176.300 0.022 0.000 0.964 595 D CA 1.464 55.491 54.000 0.045 0.000 0.846 595 D CB -0.118 40.696 40.800 0.023 0.000 0.962 595 D HN 0.679 nan 8.370 nan 0.000 0.490 596 E N 1.021 121.221 120.200 0.000 0.000 2.072 596 E HA -0.110 4.244 4.350 0.007 0.000 0.191 596 E C 2.186 178.771 176.600 -0.026 0.000 0.985 596 E CA 0.853 57.245 56.400 -0.014 0.000 0.801 596 E CB -0.803 28.884 29.700 -0.021 0.000 0.750 596 E HN 0.308 nan 8.360 nan 0.000 0.452 597 I N -0.262 120.273 120.570 -0.058 0.000 2.252 597 I HA -0.177 3.997 4.170 0.007 0.000 0.245 597 I C 2.938 179.039 176.117 -0.026 0.000 1.102 597 I CA 1.570 62.809 61.300 -0.101 0.000 1.385 597 I CB -0.327 37.501 38.000 -0.287 0.000 1.064 597 I HN 0.234 nan 8.210 nan 0.000 0.414 598 R N 1.329 121.859 120.500 0.050 0.000 2.105 598 R HA -0.221 4.123 4.340 0.007 0.000 0.239 598 R C 2.430 178.760 176.300 0.051 0.000 1.135 598 R CA 2.152 58.317 56.100 0.108 0.000 0.967 598 R CB -0.216 30.166 30.300 0.137 0.000 0.861 598 R HN 0.470 nan 8.270 nan 0.000 0.442 599 E N 0.608 120.824 120.200 0.026 0.000 2.107 599 E HA -0.196 4.158 4.350 0.007 0.000 0.191 599 E C 1.536 178.139 176.600 0.005 0.000 0.982 599 E CA 1.451 57.859 56.400 0.013 0.000 0.809 599 E CB -0.735 28.969 29.700 0.007 0.000 0.756 599 E HN 0.585 nan 8.360 nan 0.000 0.459 600 D N -0.244 120.154 120.400 -0.004 0.000 2.097 600 D HA -0.065 4.579 4.640 0.007 0.000 0.195 600 D C 1.819 178.117 176.300 -0.004 0.000 0.989 600 D CA 1.294 55.288 54.000 -0.011 0.000 0.827 600 D CB -0.124 40.660 40.800 -0.027 0.000 0.966 600 D HN 0.469 nan 8.370 nan 0.000 0.456 601 I N 0.250 120.823 120.570 0.005 0.000 2.394 601 I HA -0.159 4.015 4.170 0.007 0.000 0.251 601 I C 2.129 178.258 176.117 0.020 0.000 1.136 601 I CA 0.885 62.195 61.300 0.016 0.000 1.425 601 I CB -0.190 37.832 38.000 0.038 0.000 1.079 601 I HN 0.079 nan 8.210 nan 0.000 0.425 602 E N 0.661 120.874 120.200 0.020 0.000 2.106 602 E HA -0.209 4.145 4.350 0.007 0.000 0.192 602 E C 2.166 178.772 176.600 0.010 0.000 0.984 602 E CA 0.826 57.236 56.400 0.016 0.000 0.806 602 E CB 0.079 29.789 29.700 0.016 0.000 0.750 602 E HN 0.239 nan 8.360 nan 0.000 0.458 603 K N 0.420 120.823 120.400 0.007 0.000 1.965 603 K HA -0.060 4.264 4.320 0.007 0.000 0.218 603 K C 0.309 176.911 176.600 0.003 0.000 1.048 603 K CA 1.153 57.441 56.287 0.003 0.000 0.960 603 K CB -0.224 32.276 32.500 -0.001 0.000 0.732 603 K HN 0.038 nan 8.250 nan 0.000 0.444 604 T N 3.822 118.377 114.554 0.001 0.000 2.758 604 T HA 0.345 4.698 4.350 0.007 0.000 0.285 604 T C -2.537 172.167 174.700 0.007 0.000 0.981 604 T CA -1.563 60.539 62.100 0.002 0.000 0.965 604 T CB 1.835 70.702 68.868 -0.003 0.000 0.927 604 T HN 0.110 nan 8.240 nan 0.000 0.448 605 P HA 0.303 nan 4.420 nan 0.000 0.270 605 P C -0.990 176.324 177.300 0.022 0.000 1.223 605 P CA -0.728 62.384 63.100 0.020 0.000 0.785 605 P CB 0.496 32.211 31.700 0.025 0.000 0.923 606 L N 1.903 123.144 121.223 0.031 0.000 2.349 606 L HA 0.456 4.800 4.340 0.007 0.000 0.278 606 L C -0.233 176.671 176.870 0.057 0.000 0.996 606 L CA -0.448 54.413 54.840 0.034 0.000 0.825 606 L CB 1.085 43.160 42.059 0.027 0.000 1.243 606 L HN 0.197 nan 8.230 nan 0.000 0.412 607 K N 4.031 124.471 120.400 0.067 0.000 2.206 607 K HA 0.703 5.027 4.320 0.007 0.000 0.264 607 K C -1.451 175.215 176.600 0.111 0.000 0.967 607 K CA -0.662 55.690 56.287 0.109 0.000 0.844 607 K CB 1.363 33.927 32.500 0.108 0.000 1.099 607 K HN 0.473 nan 8.250 nan 0.000 0.441 608 I N 3.678 124.339 120.570 0.152 0.000 2.582 608 I HA 0.219 4.393 4.170 0.007 0.000 0.292 608 I C -0.988 175.232 176.117 0.171 0.000 1.066 608 I CA -0.813 60.568 61.300 0.136 0.000 1.053 608 I CB 2.103 40.175 38.000 0.119 0.000 1.241 608 I HN 0.337 nan 8.210 nan 0.000 0.421 609 V N 3.127 123.123 119.914 0.137 0.000 2.427 609 V HA 1.008 5.132 4.120 0.007 0.000 0.286 609 V C -0.131 176.049 176.094 0.143 0.000 1.034 609 V CA -0.585 61.802 62.300 0.144 0.000 0.893 609 V CB 1.021 32.896 31.823 0.088 0.000 0.982 609 V HN 0.861 nan 8.190 nan 0.000 0.452 610 A N 3.554 126.484 122.820 0.184 0.000 2.386 610 A HA 1.077 5.401 4.320 0.007 0.000 0.311 610 A C -0.153 177.554 177.584 0.205 0.000 1.068 610 A CA -0.192 51.971 52.037 0.210 0.000 0.743 610 A CB 1.827 20.977 19.000 0.251 0.000 1.258 610 A HN 2.500 nan 8.150 nan 0.000 0.429 611 A N 0.735 123.648 122.820 0.156 0.000 2.594 611 A HA 0.705 5.029 4.320 0.007 0.000 0.296 611 A C -0.427 177.217 177.584 0.100 0.000 1.056 611 A CA -0.407 51.670 52.037 0.067 0.000 0.693 611 A CB 0.626 19.610 19.000 -0.025 0.000 1.278 611 A HN 0.947 nan 8.150 nan 0.000 0.408 612 T N 1.535 116.145 114.554 0.094 0.000 2.794 612 T HA 0.478 4.832 4.350 0.007 0.000 0.296 612 T C 0.084 174.816 174.700 0.052 0.000 0.949 612 T CA -0.042 62.112 62.100 0.090 0.000 1.101 612 T CB 0.756 69.693 68.868 0.115 0.000 0.905 612 T HN 0.583 nan 8.240 nan 0.000 0.516 613 V N 3.181 123.128 119.914 0.054 0.000 2.713 613 V HA 0.782 4.906 4.120 0.007 0.000 0.307 613 V C 1.063 177.184 176.094 0.044 0.000 1.052 613 V CA 0.807 63.133 62.300 0.043 0.000 0.967 613 V CB 1.117 32.969 31.823 0.048 0.000 1.019 613 V HN 1.232 nan 8.190 nan 0.000 0.459 614 G N 3.781 112.603 108.800 0.036 0.000 2.520 614 G HA2 -0.202 3.762 3.960 0.007 0.000 0.248 614 G HA3 -0.202 3.762 3.960 0.007 0.000 0.248 614 G C 0.349 175.270 174.900 0.036 0.000 1.161 614 G CA 0.413 45.535 45.100 0.038 0.000 0.946 614 G HN 0.659 nan 8.290 nan 0.000 0.565 615 E N 1.017 121.243 120.200 0.043 0.000 2.476 615 E HA 0.150 4.504 4.350 0.007 0.000 0.196 615 E C -0.231 176.404 176.600 0.059 0.000 1.029 615 E CA -0.275 56.150 56.400 0.042 0.000 0.896 615 E CB 0.324 30.048 29.700 0.039 0.000 1.012 615 E HN 0.369 nan 8.360 nan 0.000 0.475 616 D N 1.703 122.148 120.400 0.075 0.000 2.383 616 D HA -0.010 4.634 4.640 0.007 0.000 0.252 616 D C 0.654 177.025 176.300 0.119 0.000 1.166 616 D CA 0.446 54.522 54.000 0.127 0.000 0.879 616 D CB 0.921 41.789 40.800 0.112 0.000 1.164 616 D HN 0.042 nan 8.370 nan 0.000 0.462 617 E N 1.913 122.189 120.200 0.127 0.000 2.498 617 E HA -0.023 4.331 4.350 0.007 0.000 0.203 617 E C -0.247 176.358 176.600 0.008 0.000 1.013 617 E CA -0.161 56.258 56.400 0.032 0.000 0.927 617 E CB 0.207 29.882 29.700 -0.042 0.000 1.012 617 E HN 0.464 nan 8.360 nan 0.000 0.482 618 H N 0.819 119.903 119.070 0.023 0.000 3.015 618 H HA 0.045 4.605 4.556 0.007 0.000 0.268 618 H C 1.295 176.649 175.328 0.044 0.000 1.113 618 H CA 0.144 56.206 56.048 0.024 0.000 1.479 618 H CB 0.527 30.295 29.762 0.010 0.000 1.493 618 H HN -0.028 nan 8.280 nan 0.000 0.486 619 S N 1.094 116.873 115.700 0.131 0.000 2.502 619 S HA -0.016 4.458 4.470 0.007 0.000 0.215 619 S C 1.789 176.445 174.600 0.094 0.000 1.009 619 S CA -0.023 58.261 58.200 0.139 0.000 0.908 619 S CB 0.089 63.380 63.200 0.151 0.000 0.801 619 S HN 0.340 nan 8.310 nan 0.000 0.505 620 V N 2.619 122.576 119.914 0.073 0.000 2.358 620 V HA -0.021 4.103 4.120 0.007 0.000 0.246 620 V C 2.865 178.974 176.094 0.025 0.000 1.047 620 V CA 1.985 64.307 62.300 0.037 0.000 1.035 620 V CB -1.554 30.290 31.823 0.034 0.000 0.658 620 V HN 0.608 nan 8.190 nan 0.000 0.452 621 G N 0.082 108.906 108.800 0.039 0.000 2.491 621 G HA2 -0.304 3.660 3.960 0.007 0.000 0.218 621 G HA3 -0.304 3.660 3.960 0.007 0.000 0.218 621 G C 1.583 176.491 174.900 0.015 0.000 1.180 621 G CA 1.404 46.518 45.100 0.023 0.000 0.774 621 G HN 0.418 nan 8.290 nan 0.000 0.562 622 L N 0.528 121.769 121.223 0.030 0.000 2.046 622 L HA 0.084 4.428 4.340 0.007 0.000 0.208 622 L C 2.862 179.710 176.870 -0.036 0.000 1.077 622 L CA 1.699 56.551 54.840 0.020 0.000 0.747 622 L CB -0.604 41.505 42.059 0.084 0.000 0.896 622 L HN 0.152 nan 8.230 nan 0.000 0.432 623 R N -0.805 119.656 120.500 -0.064 0.000 2.148 623 R HA -0.174 4.170 4.340 0.007 0.000 0.227 623 R C 2.097 178.360 176.300 -0.062 0.000 1.103 623 R CA 1.075 57.101 56.100 -0.124 0.000 0.983 623 R CB -0.164 30.059 30.300 -0.128 0.000 0.874 623 R HN 0.336 nan 8.270 nan 0.000 0.451 624 E N 0.433 120.619 120.200 -0.024 0.000 2.150 624 E HA -0.118 4.236 4.350 0.007 0.000 0.193 624 E C 1.489 178.091 176.600 0.003 0.000 0.985 624 E CA 1.091 57.492 56.400 0.002 0.000 0.814 624 E CB 0.223 29.919 29.700 -0.006 0.000 0.752 624 E HN 0.265 nan 8.360 nan 0.000 0.466 625 V N -1.913 117.990 119.914 -0.018 0.000 3.633 625 V HA 0.259 4.383 4.120 0.007 0.000 0.283 625 V C 1.513 177.592 176.094 -0.025 0.000 1.305 625 V CA 0.300 62.587 62.300 -0.021 0.000 1.153 625 V CB -0.260 31.530 31.823 -0.055 0.000 0.950 625 V HN 0.142 nan 8.190 nan 0.000 0.432 626 I N -0.673 119.870 120.570 -0.045 0.000 3.366 626 I HA 0.227 4.401 4.170 0.007 0.000 0.267 626 I C 0.638 176.718 176.117 -0.063 0.000 1.149 626 I CA 0.009 61.275 61.300 -0.057 0.000 1.436 626 I CB 0.076 38.012 38.000 -0.106 0.000 1.379 626 I HN 0.183 nan 8.210 nan 0.000 0.460 627 D N 1.419 121.775 120.400 -0.073 0.000 2.443 627 D HA -0.053 4.591 4.640 0.007 0.000 0.234 627 D C 0.975 177.236 176.300 -0.064 0.000 1.172 627 D CA 0.538 54.497 54.000 -0.070 0.000 0.878 627 D CB 1.307 42.074 40.800 -0.055 0.000 1.204 627 D HN 0.111 nan 8.370 nan 0.000 0.453 628 I N 1.323 121.842 120.570 -0.084 0.000 2.500 628 I HA -0.232 3.942 4.170 0.007 0.000 0.252 628 I C 2.143 178.190 176.117 -0.117 0.000 1.142 628 I CA 1.062 62.297 61.300 -0.108 0.000 1.451 628 I CB 0.103 38.036 38.000 -0.111 0.000 1.093 628 I HN 0.232 nan 8.210 nan 0.000 0.430 629 K N 0.843 121.165 120.400 -0.130 0.000 2.052 629 K HA -0.288 4.036 4.320 0.007 0.000 0.215 629 K C 1.029 177.434 176.600 -0.326 0.000 1.053 629 K CA 2.160 58.307 56.287 -0.233 0.000 0.934 629 K CB -0.484 31.863 32.500 -0.255 0.000 0.717 629 K HN 0.546 nan 8.250 nan 0.000 0.450 630 H N -1.987 117.054 119.070 -0.047 0.000 2.472 630 H HA 0.335 4.896 4.556 0.007 0.000 0.287 630 H C 0.168 175.472 175.328 -0.040 0.000 1.112 630 H CA 0.180 56.207 56.048 -0.035 0.000 1.021 630 H CB 0.631 30.380 29.762 -0.022 0.000 1.635 630 H HN 0.482 nan 8.280 nan 0.000 0.559 631 G N 0.516 109.314 108.800 -0.005 0.000 2.182 631 G HA2 -0.240 3.724 3.960 0.007 0.000 0.248 631 G HA3 -0.240 3.724 3.960 0.007 0.000 0.248 631 G C 0.715 175.597 174.900 -0.030 0.000 1.042 631 G CA -0.021 45.049 45.100 -0.050 0.000 0.775 631 G HN 0.702 nan 8.290 nan 0.000 0.501 632 G N -0.470 108.311 108.800 -0.031 0.000 2.653 632 G HA2 0.567 4.531 3.960 0.007 0.000 0.265 632 G HA3 0.567 4.531 3.960 0.007 0.000 0.265 632 G C 1.549 176.454 174.900 0.009 0.000 1.237 632 G CA -0.240 44.860 45.100 0.000 0.000 0.946 632 G HN 1.043 nan 8.290 nan 0.000 0.522 633 I N -1.705 118.909 120.570 0.073 0.000 2.264 633 I HA -0.146 4.028 4.170 0.007 0.000 0.248 633 I C 2.323 178.495 176.117 0.093 0.000 1.111 633 I CA 2.152 63.555 61.300 0.171 0.000 1.382 633 I CB -0.594 37.479 38.000 0.121 0.000 1.060 633 I HN 0.753 nan 8.210 nan 0.000 0.418 634 E N 2.831 123.031 120.200 0.000 0.000 2.267 634 E HA -0.299 4.055 4.350 0.007 0.000 0.197 634 E C 2.128 178.683 176.600 -0.075 0.000 0.998 634 E CA 1.317 57.702 56.400 -0.026 0.000 0.830 634 E CB -0.431 29.240 29.700 -0.047 0.000 0.751 634 E HN 0.673 nan 8.360 nan 0.000 0.491 635 K N 0.521 120.814 120.400 -0.178 0.000 2.113 635 K HA -0.204 4.120 4.320 0.007 0.000 0.208 635 K C 0.934 177.336 176.600 -0.330 0.000 1.047 635 K CA 1.604 57.692 56.287 -0.331 0.000 0.928 635 K CB -0.202 31.954 32.500 -0.573 0.000 0.716 635 K HN 0.265 nan 8.250 nan 0.000 0.446 636 Y N -0.454 119.837 120.300 -0.016 0.000 2.461 636 Y HA 0.232 4.786 4.550 0.006 0.000 0.277 636 Y C 1.338 177.232 175.900 -0.010 0.000 1.182 636 Y CA 0.362 58.455 58.100 -0.012 0.000 1.276 636 Y CB 0.636 39.090 38.460 -0.009 0.000 1.087 636 Y HN 0.363 nan 8.280 nan 0.000 0.519 637 G N -0.253 108.593 108.800 0.076 0.000 2.141 637 G HA2 -0.270 3.693 3.960 0.007 0.000 0.242 637 G HA3 -0.270 3.693 3.960 0.007 0.000 0.242 637 G C -0.037 174.893 174.900 0.050 0.000 0.982 637 G CA 0.035 45.163 45.100 0.046 0.000 0.662 637 G HN 0.110 nan 8.290 nan 0.000 0.527 638 V N 1.074 121.030 119.914 0.070 0.000 2.599 638 V HA 0.280 4.403 4.120 0.007 0.000 0.300 638 V C 0.977 177.090 176.094 0.032 0.000 1.034 638 V CA 0.662 62.996 62.300 0.057 0.000 1.115 638 V CB 1.478 33.344 31.823 0.073 0.000 0.934 638 V HN 0.534 nan 8.190 nan 0.000 0.485 639 E N 4.766 124.986 120.200 0.033 0.000 2.180 639 E HA 0.361 4.715 4.350 0.007 0.000 0.283 639 E C -1.167 175.447 176.600 0.023 0.000 1.061 639 E CA -0.477 55.928 56.400 0.009 0.000 0.861 639 E CB 1.068 30.788 29.700 0.032 0.000 1.056 639 E HN 0.489 nan 8.360 nan 0.000 0.407 640 V N 6.378 126.268 119.914 -0.039 0.000 2.325 640 V HA 0.149 4.273 4.120 0.007 0.000 0.280 640 V C -0.345 175.738 176.094 -0.019 0.000 1.016 640 V CA -0.822 61.488 62.300 0.016 0.000 0.818 640 V CB 0.783 32.620 31.823 0.022 0.000 1.019 640 V HN 0.730 nan 8.190 nan 0.000 0.434 641 H N 4.375 123.498 119.070 0.089 0.000 2.878 641 H HA 0.183 4.743 4.556 0.006 0.000 0.290 641 H C -1.024 174.399 175.328 0.158 0.000 1.065 641 H CA 0.090 56.199 56.048 0.102 0.000 1.477 641 H CB 1.008 30.808 29.762 0.064 0.000 1.484 641 H HN 0.636 nan 8.280 nan 0.000 0.504 642 Y N 4.186 124.539 120.300 0.088 0.000 2.341 642 Y HA 0.144 4.698 4.550 0.006 0.000 0.337 642 Y C 0.203 176.140 175.900 0.062 0.000 1.014 642 Y CA -0.945 57.191 58.100 0.060 0.000 1.111 642 Y CB 0.762 39.239 38.460 0.027 0.000 1.194 642 Y HN 0.517 nan 8.280 nan 0.000 0.462 643 L N 5.415 126.370 121.223 -0.446 0.000 2.616 643 L HA 0.362 4.705 4.340 0.007 0.000 0.229 643 L C 1.112 177.681 176.870 -0.502 0.000 1.110 643 L CA 0.560 55.200 54.840 -0.333 0.000 0.884 643 L CB -0.493 41.471 42.059 -0.158 0.000 1.115 643 L HN 1.009 nan 8.230 nan 0.000 0.481 644 G N 1.002 109.135 108.800 -1.112 0.000 2.482 644 G HA2 -0.211 3.753 3.960 0.007 0.000 0.214 644 G HA3 -0.211 3.753 3.960 0.007 0.000 0.214 644 G C -0.135 174.545 174.900 -0.366 0.000 1.271 644 G CA -0.215 44.465 45.100 -0.700 0.000 0.944 644 G HN 0.253 nan 8.290 nan 0.000 0.568 645 T N -3.799 110.680 114.554 -0.126 0.000 2.907 645 T HA 0.708 5.062 4.350 0.007 0.000 0.290 645 T C 0.646 175.333 174.700 -0.022 0.000 1.066 645 T CA 0.835 62.918 62.100 -0.027 0.000 1.012 645 T CB 1.606 70.498 68.868 0.041 0.000 1.184 645 T HN 2.361 nan 8.240 nan 0.000 0.522 646 S N -0.337 115.368 115.700 0.007 0.000 3.628 646 S HA -0.092 4.382 4.470 0.007 0.000 0.373 646 S C -0.013 174.582 174.600 -0.007 0.000 0.968 646 S CA 0.358 58.563 58.200 0.008 0.000 1.215 646 S CB -1.729 61.475 63.200 0.007 0.000 0.912 646 S HN 0.872 nan 8.310 nan 0.000 0.495 647 V N 2.243 122.149 119.914 -0.013 0.000 2.370 647 V HA 0.339 4.463 4.120 0.007 0.000 0.279 647 V C -1.884 174.209 176.094 -0.001 0.000 1.029 647 V CA -1.918 60.370 62.300 -0.020 0.000 0.870 647 V CB 1.330 33.128 31.823 -0.042 0.000 0.984 647 V HN 0.102 nan 8.190 nan 0.000 0.451 648 P HA 0.105 nan 4.420 nan 0.000 0.268 648 P C 1.171 178.478 177.300 0.011 0.000 1.204 648 P CA 0.048 63.154 63.100 0.009 0.000 0.768 648 P CB 0.870 32.574 31.700 0.006 0.000 0.842 649 V N 2.636 122.562 119.914 0.020 0.000 2.313 649 V HA -0.322 3.802 4.120 0.007 0.000 0.253 649 V C 2.309 178.414 176.094 0.018 0.000 1.070 649 V CA 2.517 64.831 62.300 0.024 0.000 1.057 649 V CB -0.950 30.892 31.823 0.032 0.000 0.653 649 V HN 0.658 nan 8.190 nan 0.000 0.450 650 E N 0.818 121.026 120.200 0.014 0.000 2.013 650 E HA -0.290 4.064 4.350 0.007 0.000 0.202 650 E C 2.068 178.670 176.600 0.004 0.000 1.018 650 E CA 2.068 58.473 56.400 0.008 0.000 0.834 650 E CB -0.408 29.296 29.700 0.006 0.000 0.770 650 E HN 0.452 nan 8.360 nan 0.000 0.459 651 K N -0.369 120.031 120.400 0.001 0.000 2.173 651 K HA -0.149 4.175 4.320 0.007 0.000 0.207 651 K C 1.943 178.540 176.600 -0.005 0.000 1.046 651 K CA 1.204 57.488 56.287 -0.005 0.000 0.929 651 K CB -0.485 32.009 32.500 -0.010 0.000 0.720 651 K HN 0.216 nan 8.250 nan 0.000 0.453 652 L N -0.292 120.932 121.223 0.002 0.000 2.023 652 L HA -0.092 4.252 4.340 0.007 0.000 0.205 652 L C 1.754 178.630 176.870 0.011 0.000 1.073 652 L CA 1.454 56.299 54.840 0.008 0.000 0.745 652 L CB -0.400 41.670 42.059 0.020 0.000 0.900 652 L HN -0.044 nan 8.230 nan 0.000 0.435 653 V N -0.158 119.763 119.914 0.011 0.000 2.407 653 V HA -0.262 3.862 4.120 0.007 0.000 0.248 653 V C 2.283 178.376 176.094 -0.002 0.000 1.055 653 V CA 1.620 63.924 62.300 0.007 0.000 1.049 653 V CB -0.995 30.831 31.823 0.005 0.000 0.662 653 V HN 0.400 nan 8.190 nan 0.000 0.455 654 D N 1.225 121.623 120.400 -0.004 0.000 2.177 654 D HA -0.234 4.410 4.640 0.007 0.000 0.189 654 D C 2.134 178.424 176.300 -0.016 0.000 1.002 654 D CA 2.274 56.269 54.000 -0.009 0.000 0.845 654 D CB -0.418 40.377 40.800 -0.009 0.000 0.960 654 D HN 0.478 nan 8.370 nan 0.000 0.447 655 A N 0.072 122.882 122.820 -0.018 0.000 2.119 655 A HA 0.219 4.543 4.320 0.007 0.000 0.216 655 A C 2.139 179.699 177.584 -0.041 0.000 1.152 655 A CA 1.448 53.466 52.037 -0.032 0.000 0.708 655 A CB -0.325 18.658 19.000 -0.029 0.000 0.805 655 A HN 0.227 nan 8.150 nan 0.000 0.460 656 A N 0.074 122.882 122.820 -0.020 0.000 2.015 656 A HA 0.012 4.335 4.320 0.007 0.000 0.219 656 A C 1.967 179.537 177.584 -0.023 0.000 1.163 656 A CA 1.402 53.430 52.037 -0.015 0.000 0.646 656 A CB -0.429 18.574 19.000 0.006 0.000 0.806 656 A HN 0.523 nan 8.150 nan 0.000 0.448 657 I N -1.435 119.121 120.570 -0.024 0.000 2.429 657 I HA -0.083 4.091 4.170 0.007 0.000 0.247 657 I C 2.385 178.483 176.117 -0.032 0.000 1.099 657 I CA 0.910 62.196 61.300 -0.023 0.000 1.422 657 I CB -0.368 37.621 38.000 -0.018 0.000 1.112 657 I HN 0.306 nan 8.210 nan 0.000 0.430 658 E N 1.645 121.823 120.200 -0.037 0.000 2.267 658 E HA -0.162 4.192 4.350 0.007 0.000 0.197 658 E C 1.604 178.165 176.600 -0.064 0.000 0.998 658 E CA 1.108 57.483 56.400 -0.042 0.000 0.830 658 E CB 0.158 29.834 29.700 -0.039 0.000 0.751 658 E HN 0.497 nan 8.360 nan 0.000 0.491 659 L N 0.595 121.765 121.223 -0.088 0.000 3.014 659 L HA 0.140 4.484 4.340 0.007 0.000 0.263 659 L C 0.329 177.142 176.870 -0.094 0.000 1.207 659 L CA -0.157 54.599 54.840 -0.140 0.000 1.017 659 L CB 0.112 42.006 42.059 -0.274 0.000 1.360 659 L HN -0.028 nan 8.230 nan 0.000 0.560 660 K N 0.021 120.390 120.400 -0.053 0.000 3.356 660 K HA -0.235 4.089 4.320 0.007 0.000 0.270 660 K C 0.202 176.790 176.600 -0.020 0.000 0.901 660 K CA 0.617 56.886 56.287 -0.029 0.000 0.688 660 K CB -1.838 30.651 32.500 -0.019 0.000 1.460 660 K HN 0.228 nan 8.250 nan 0.000 0.458 661 A N 1.187 123.994 122.820 -0.022 0.000 2.466 661 A HA 0.082 4.406 4.320 0.007 0.000 0.238 661 A C 0.747 178.341 177.584 0.017 0.000 1.074 661 A CA 0.283 52.323 52.037 0.004 0.000 0.774 661 A CB 0.252 19.259 19.000 0.012 0.000 1.015 661 A HN 0.521 nan 8.150 nan 0.000 0.498 662 D N -0.102 120.316 120.400 0.030 0.000 2.417 662 D HA 0.419 5.063 4.640 0.007 0.000 0.207 662 D C 0.385 176.708 176.300 0.037 0.000 1.075 662 D CA 1.300 55.315 54.000 0.025 0.000 0.851 662 D CB 0.457 41.267 40.800 0.018 0.000 0.976 662 D HN 0.758 nan 8.370 nan 0.000 0.505 663 A N 0.237 123.093 122.820 0.060 0.000 2.586 663 A HA 0.688 5.012 4.320 0.007 0.000 0.290 663 A C -1.764 175.883 177.584 0.105 0.000 1.086 663 A CA -0.641 51.452 52.037 0.093 0.000 0.665 663 A CB 1.160 20.227 19.000 0.112 0.000 1.279 663 A HN 0.008 nan 8.150 nan 0.000 0.423 664 I N 1.158 121.806 120.570 0.131 0.000 2.500 664 I HA 0.314 4.488 4.170 0.007 0.000 0.286 664 I C -1.241 174.962 176.117 0.143 0.000 1.063 664 I CA -0.210 61.163 61.300 0.121 0.000 1.062 664 I CB 1.637 39.696 38.000 0.098 0.000 1.223 664 I HN 0.457 nan 8.210 nan 0.000 0.435 665 L N 6.019 127.322 121.223 0.133 0.000 2.272 665 L HA 0.723 5.067 4.340 0.007 0.000 0.289 665 L C 0.190 177.128 176.870 0.114 0.000 1.032 665 L CA -0.455 54.459 54.840 0.124 0.000 0.810 665 L CB 1.555 43.674 42.059 0.100 0.000 1.205 665 L HN 0.639 nan 8.230 nan 0.000 0.422 666 A N 2.733 125.618 122.820 0.108 0.000 2.318 666 A HA 0.615 4.939 4.320 0.007 0.000 0.317 666 A C -0.240 177.399 177.584 0.091 0.000 1.159 666 A CA -0.378 51.717 52.037 0.097 0.000 0.799 666 A CB 1.682 20.735 19.000 0.087 0.000 1.194 666 A HN 0.570 nan 8.150 nan 0.000 0.479 667 S N 0.597 116.351 115.700 0.090 0.000 2.601 667 S HA 0.673 5.147 4.470 0.007 0.000 0.271 667 S C 0.036 174.671 174.600 0.058 0.000 1.305 667 S CA 0.070 58.315 58.200 0.076 0.000 1.022 667 S CB 0.762 64.017 63.200 0.092 0.000 0.940 667 S HN 0.863 nan 8.310 nan 0.000 0.525 668 T N 4.337 118.909 114.554 0.030 0.000 3.424 668 T HA 0.275 4.629 4.350 0.007 0.000 0.293 668 T C 0.144 174.801 174.700 -0.070 0.000 0.788 668 T CA -0.448 61.658 62.100 0.011 0.000 1.337 668 T CB -0.289 68.606 68.868 0.043 0.000 0.948 668 T HN 0.429 nan 8.240 nan 0.000 0.534 669 I N 1.655 122.153 120.570 -0.121 0.000 2.729 669 I HA 0.357 4.531 4.170 0.007 0.000 0.256 669 I C 1.237 177.145 176.117 -0.348 0.000 1.115 669 I CA 0.263 61.408 61.300 -0.257 0.000 1.446 669 I CB -0.373 37.414 38.000 -0.355 0.000 1.176 669 I HN 0.541 nan 8.210 nan 0.000 0.446 670 I N 2.519 122.911 120.570 -0.297 0.000 2.662 670 I HA -0.105 4.069 4.170 0.007 0.000 0.285 670 I C 0.702 176.711 176.117 -0.179 0.000 1.161 670 I CA 0.470 61.652 61.300 -0.198 0.000 1.415 670 I CB 0.396 38.361 38.000 -0.059 0.000 1.385 670 I HN 0.209 nan 8.210 nan 0.000 0.552 671 S N 3.452 119.022 115.700 -0.216 0.000 2.711 671 S HA 0.095 4.569 4.470 0.007 0.000 0.247 671 S C 0.016 174.611 174.600 -0.008 0.000 1.079 671 S CA -0.648 57.373 58.200 -0.299 0.000 1.050 671 S CB -0.457 62.294 63.200 -0.750 0.000 0.885 671 S HN 0.685 nan 8.310 nan 0.000 0.498 672 H N 2.370 121.423 119.070 -0.028 0.000 3.015 672 H HA 0.379 4.939 4.556 0.006 0.000 0.268 672 H C -0.002 175.354 175.328 0.046 0.000 1.113 672 H CA 0.946 56.999 56.048 0.008 0.000 1.479 672 H CB -0.210 29.553 29.762 0.001 0.000 1.493 672 H HN 0.314 nan 8.280 nan 0.000 0.486 673 D N 4.262 124.461 120.400 -0.336 0.000 2.798 673 D HA -0.195 4.449 4.640 0.007 0.000 0.237 673 D C -0.399 175.883 176.300 -0.030 0.000 1.092 673 D CA 1.227 55.081 54.000 -0.243 0.000 0.727 673 D CB -1.732 38.863 40.800 -0.342 0.000 1.087 673 D HN 0.994 nan 8.370 nan 0.000 0.437 674 D N -1.399 119.046 120.400 0.076 0.000 2.931 674 D HA -0.299 4.345 4.640 0.007 0.000 0.228 674 D C 1.413 177.748 176.300 0.057 0.000 1.180 674 D CA 0.958 55.024 54.000 0.109 0.000 0.784 674 D CB -1.024 39.824 40.800 0.081 0.000 1.093 674 D HN 0.532 nan 8.370 nan 0.000 0.421 675 I N 0.386 121.027 120.570 0.119 0.000 2.530 675 I HA -0.287 3.887 4.170 0.007 0.000 0.257 675 I C 2.214 178.383 176.117 0.086 0.000 1.179 675 I CA 1.740 63.094 61.300 0.090 0.000 1.440 675 I CB -0.175 37.886 38.000 0.102 0.000 1.087 675 I HN 0.394 nan 8.210 nan 0.000 0.440 676 H N -1.329 117.689 119.070 -0.086 0.000 2.403 676 H HA -0.110 4.449 4.556 0.006 0.000 0.298 676 H C 1.745 176.993 175.328 -0.133 0.000 1.059 676 H CA 1.579 57.535 56.048 -0.154 0.000 1.363 676 H CB -1.417 28.180 29.762 -0.276 0.000 1.410 676 H HN 0.368 nan 8.280 nan 0.000 0.528 677 Y N 1.784 121.786 120.300 -0.496 0.000 2.314 677 Y HA 0.015 4.569 4.550 0.006 0.000 0.293 677 Y C 2.637 178.451 175.900 -0.143 0.000 1.129 677 Y CA 0.740 58.644 58.100 -0.327 0.000 1.201 677 Y CB -0.036 38.192 38.460 -0.387 0.000 0.999 677 Y HN 0.148 nan 8.280 nan 0.000 0.541 678 K N -0.196 120.223 120.400 0.033 0.000 2.025 678 K HA -0.136 4.188 4.320 0.007 0.000 0.207 678 K C 1.604 178.229 176.600 0.042 0.000 1.049 678 K CA 1.272 57.581 56.287 0.036 0.000 0.933 678 K CB -0.165 32.352 32.500 0.030 0.000 0.714 678 K HN 0.153 nan 8.250 nan 0.000 0.438 679 N N 0.461 119.186 118.700 0.043 0.000 2.519 679 N HA -0.081 4.663 4.740 0.007 0.000 0.186 679 N C 1.376 176.923 175.510 0.061 0.000 1.062 679 N CA 0.991 54.071 53.050 0.050 0.000 0.910 679 N CB 0.103 38.621 38.487 0.052 0.000 0.958 679 N HN 0.232 nan 8.380 nan 0.000 0.445 680 M N -0.524 119.115 119.600 0.065 0.000 2.466 680 M HA -0.018 4.466 4.480 0.007 0.000 0.265 680 M C 1.891 178.243 176.300 0.086 0.000 1.122 680 M CA 0.639 55.989 55.300 0.083 0.000 1.157 680 M CB 0.257 32.919 32.600 0.103 0.000 1.352 680 M HN -0.141 nan 8.290 nan 0.000 0.464 681 K N 0.637 121.075 120.400 0.064 0.000 1.985 681 K HA -0.134 4.190 4.320 0.007 0.000 0.210 681 K C 1.759 178.419 176.600 0.099 0.000 1.047 681 K CA 1.712 58.030 56.287 0.052 0.000 0.932 681 K CB -0.027 32.487 32.500 0.023 0.000 0.716 681 K HN 0.016 nan 8.250 nan 0.000 0.439 682 R N 0.386 120.932 120.500 0.077 0.000 2.115 682 R HA -0.133 4.210 4.340 0.007 0.000 0.239 682 R C 2.338 178.689 176.300 0.085 0.000 1.133 682 R CA 2.381 58.525 56.100 0.073 0.000 0.935 682 R CB -0.722 29.610 30.300 0.053 0.000 0.853 682 R HN 0.278 nan 8.270 nan 0.000 0.433 683 I N -0.714 119.908 120.570 0.086 0.000 2.248 683 I HA -0.356 3.818 4.170 0.007 0.000 0.248 683 I C 2.402 178.573 176.117 0.091 0.000 1.107 683 I CA 1.857 63.205 61.300 0.080 0.000 1.373 683 I CB -0.377 37.673 38.000 0.083 0.000 1.055 683 I HN 0.363 nan 8.210 nan 0.000 0.418 684 H N 0.826 119.917 119.070 0.034 0.000 2.357 684 H HA -0.126 4.434 4.556 0.007 0.000 0.301 684 H C 2.128 177.470 175.328 0.024 0.000 1.082 684 H CA 1.815 57.882 56.048 0.032 0.000 1.342 684 H CB 0.114 29.893 29.762 0.028 0.000 1.389 684 H HN 0.302 nan 8.280 nan 0.000 0.511 685 E N 0.075 120.361 120.200 0.143 0.000 2.112 685 E HA -0.079 4.275 4.350 0.007 0.000 0.190 685 E C 2.088 178.682 176.600 -0.009 0.000 0.979 685 E CA 0.646 57.096 56.400 0.084 0.000 0.814 685 E CB 0.068 29.856 29.700 0.147 0.000 0.762 685 E HN 0.459 nan 8.360 nan 0.000 0.460 686 L N 0.043 121.269 121.223 0.005 0.000 2.465 686 L HA -0.028 4.316 4.340 0.007 0.000 0.224 686 L C 1.708 178.561 176.870 -0.027 0.000 1.145 686 L CA 0.448 55.286 54.840 -0.003 0.000 0.834 686 L CB 0.117 42.184 42.059 0.013 0.000 0.944 686 L HN 0.066 nan 8.230 nan 0.000 0.451 687 A N -2.087 120.696 122.820 -0.062 0.000 2.431 687 A HA 0.160 4.484 4.320 0.007 0.000 0.239 687 A C 1.407 178.919 177.584 -0.121 0.000 1.230 687 A CA -0.001 51.991 52.037 -0.074 0.000 0.928 687 A CB 0.393 19.355 19.000 -0.062 0.000 1.006 687 A HN 0.140 nan 8.150 nan 0.000 0.520 688 V N 0.672 120.490 119.914 -0.159 0.000 3.444 688 V HA 0.075 4.199 4.120 0.007 0.000 0.308 688 V C 1.436 177.487 176.094 -0.071 0.000 1.371 688 V CA 1.389 63.589 62.300 -0.166 0.000 1.141 688 V CB -0.243 31.421 31.823 -0.267 0.000 1.037 688 V HN 0.823 nan 8.190 nan 0.000 0.433 689 E N -1.910 118.260 120.200 -0.050 0.000 2.568 689 E HA 0.094 4.448 4.350 0.007 0.000 0.220 689 E C 1.055 177.643 176.600 -0.021 0.000 0.869 689 E CA -0.395 55.989 56.400 -0.025 0.000 1.268 689 E CB 0.114 29.807 29.700 -0.013 0.000 1.252 689 E HN 0.257 nan 8.360 nan 0.000 0.606 690 K N 1.270 121.655 120.400 -0.026 0.000 2.487 690 K HA 0.122 4.446 4.320 0.007 0.000 0.192 690 K C 0.947 177.533 176.600 -0.023 0.000 1.027 690 K CA 0.717 56.992 56.287 -0.021 0.000 1.054 690 K CB 0.424 32.913 32.500 -0.019 0.000 0.824 690 K HN 0.336 nan 8.250 nan 0.000 0.510 691 G N 2.878 111.660 108.800 -0.030 0.000 2.295 691 G HA2 -0.241 3.723 3.960 0.007 0.000 0.287 691 G HA3 -0.241 3.723 3.960 0.007 0.000 0.287 691 G C 0.526 175.410 174.900 -0.027 0.000 1.055 691 G CA 0.709 45.793 45.100 -0.028 0.000 0.922 691 G HN 0.560 nan 8.290 nan 0.000 0.503 692 I N -3.733 116.816 120.570 -0.035 0.000 4.338 692 I HA 0.450 4.624 4.170 0.007 0.000 0.329 692 I C 1.567 177.665 176.117 -0.033 0.000 1.378 692 I CA -0.274 61.010 61.300 -0.027 0.000 1.170 692 I CB 0.330 38.318 38.000 -0.020 0.000 1.206 692 I HN 0.029 nan 8.210 nan 0.000 0.432 693 R N 2.964 123.427 120.500 -0.061 0.000 2.425 693 R HA -0.107 4.237 4.340 0.007 0.000 0.206 693 R C 0.934 177.218 176.300 -0.027 0.000 1.117 693 R CA 1.776 57.827 56.100 -0.082 0.000 1.098 693 R CB -0.758 29.425 30.300 -0.195 0.000 0.843 693 R HN 0.753 nan 8.270 nan 0.000 0.480 694 D N -2.449 117.945 120.400 -0.011 0.000 2.403 694 D HA -0.017 4.627 4.640 0.007 0.000 0.280 694 D C 0.477 176.782 176.300 0.008 0.000 1.091 694 D CA -0.053 53.951 54.000 0.006 0.000 0.884 694 D CB -0.180 40.622 40.800 0.004 0.000 1.427 694 D HN 0.136 nan 8.370 nan 0.000 0.504 695 K N 0.458 120.859 120.400 0.003 0.000 2.504 695 K HA 0.398 4.722 4.320 0.007 0.000 0.199 695 K C 0.006 176.610 176.600 0.007 0.000 1.028 695 K CA 0.125 56.414 56.287 0.003 0.000 1.164 695 K CB 0.854 33.354 32.500 -0.001 0.000 0.877 695 K HN 0.184 nan 8.250 nan 0.000 0.508 696 I N 0.670 121.249 120.570 0.016 0.000 2.656 696 I HA 0.262 4.436 4.170 0.007 0.000 0.292 696 I C -1.163 174.989 176.117 0.057 0.000 1.144 696 I CA -0.877 60.440 61.300 0.030 0.000 1.038 696 I CB 2.114 40.129 38.000 0.025 0.000 1.244 696 I HN -0.034 nan 8.210 nan 0.000 0.420 697 M N 7.094 126.740 119.600 0.076 0.000 2.113 697 M HA 0.503 4.987 4.480 0.007 0.000 0.352 697 M C -0.982 175.444 176.300 0.209 0.000 1.170 697 M CA -0.236 55.150 55.300 0.144 0.000 1.053 697 M CB 1.084 33.740 32.600 0.094 0.000 1.601 697 M HN 0.287 nan 8.290 nan 0.000 0.459 698 I N 3.023 123.737 120.570 0.241 0.000 2.382 698 I HA 0.510 4.684 4.170 0.007 0.000 0.285 698 I C 0.374 176.634 176.117 0.238 0.000 1.007 698 I CA -0.566 60.863 61.300 0.214 0.000 1.142 698 I CB 1.396 39.493 38.000 0.162 0.000 1.289 698 I HN 0.709 nan 8.210 nan 0.000 0.453 699 G N 4.844 113.788 108.800 0.240 0.000 2.448 699 G HA2 0.658 4.622 3.960 0.007 0.000 0.324 699 G HA3 0.658 4.622 3.960 0.007 0.000 0.324 699 G C -1.240 173.760 174.900 0.167 0.000 1.203 699 G CA -0.320 44.874 45.100 0.157 0.000 0.954 699 G HN 0.624 nan 8.290 nan 0.000 0.480 700 C N -0.132 119.277 119.300 0.182 0.000 2.797 700 C HA 0.989 5.453 4.460 0.007 0.000 0.306 700 C C 0.584 175.715 174.990 0.236 0.000 1.207 700 C CA -0.315 58.805 59.018 0.171 0.000 1.507 700 C CB 1.501 29.311 27.740 0.115 0.000 2.028 700 C HN 1.098 nan 8.230 nan 0.000 0.475 701 G N 0.106 109.005 108.800 0.165 0.000 2.672 701 G HA2 0.890 4.854 3.960 0.007 0.000 0.292 701 G HA3 0.890 4.854 3.960 0.007 0.000 0.292 701 G C -0.877 174.066 174.900 0.071 0.000 1.375 701 G CA -0.118 45.075 45.100 0.155 0.000 0.890 701 G HN 1.508 nan 8.290 nan 0.000 0.476 702 G N -1.383 107.442 108.800 0.042 0.000 2.378 702 G HA2 0.468 4.432 3.960 0.007 0.000 0.302 702 G HA3 0.468 4.432 3.960 0.007 0.000 0.302 702 G C 0.486 175.355 174.900 -0.051 0.000 1.669 702 G CA 0.486 45.568 45.100 -0.030 0.000 0.920 702 G HN 0.948 nan 8.290 nan 0.000 0.697 703 T N 0.615 115.117 114.554 -0.086 0.000 2.778 703 T HA -0.151 4.203 4.350 0.007 0.000 0.269 703 T C 1.725 176.376 174.700 -0.082 0.000 1.050 703 T CA 1.755 63.812 62.100 -0.073 0.000 1.137 703 T CB -0.028 68.788 68.868 -0.087 0.000 0.860 703 T HN 0.429 nan 8.240 nan 0.000 0.468 704 Q N 0.411 120.116 119.800 -0.158 0.000 2.247 704 Q HA 0.296 4.640 4.340 0.007 0.000 0.204 704 Q C -0.004 175.976 176.000 -0.034 0.000 0.872 704 Q CA 0.006 55.717 55.803 -0.155 0.000 0.951 704 Q CB 0.281 28.792 28.738 -0.377 0.000 1.099 704 Q HN 0.361 nan 8.270 nan 0.000 0.501 705 V N 2.254 122.163 119.914 -0.008 0.000 2.432 705 V HA 0.175 4.299 4.120 0.007 0.000 0.271 705 V C 0.284 176.448 176.094 0.116 0.000 1.046 705 V CA -0.048 62.302 62.300 0.083 0.000 0.945 705 V CB 1.323 33.181 31.823 0.059 0.000 0.992 705 V HN 0.073 nan 8.190 nan 0.000 0.471 706 T N 8.633 123.311 114.554 0.208 0.000 2.771 706 T HA 0.237 4.591 4.350 0.007 0.000 0.291 706 T C -1.690 173.038 174.700 0.046 0.000 0.954 706 T CA -1.072 61.086 62.100 0.097 0.000 1.045 706 T CB 1.652 70.573 68.868 0.088 0.000 0.917 706 T HN 0.454 nan 8.240 nan 0.000 0.484 707 P HA -0.107 nan 4.420 nan 0.000 0.215 707 P C 1.276 178.505 177.300 -0.118 0.000 1.157 707 P CA 1.022 64.031 63.100 -0.150 0.000 0.868 707 P CB 0.234 31.786 31.700 -0.246 0.000 0.788 708 E N -0.763 119.378 120.200 -0.099 0.000 2.118 708 E HA -0.127 4.227 4.350 0.007 0.000 0.195 708 E C 1.919 178.451 176.600 -0.113 0.000 0.992 708 E CA 1.029 57.371 56.400 -0.096 0.000 0.804 708 E CB -0.974 28.678 29.700 -0.079 0.000 0.741 708 E HN 0.061 nan 8.360 nan 0.000 0.458 709 V N 0.526 120.365 119.914 -0.124 0.000 2.488 709 V HA -0.141 3.983 4.120 0.007 0.000 0.246 709 V C 2.127 178.049 176.094 -0.287 0.000 1.046 709 V CA 1.536 63.685 62.300 -0.252 0.000 1.053 709 V CB -0.584 31.018 31.823 -0.368 0.000 0.679 709 V HN 0.339 nan 8.190 nan 0.000 0.458 710 A N -0.293 122.476 122.820 -0.085 0.000 2.066 710 A HA -0.076 4.248 4.320 0.007 0.000 0.218 710 A C 2.277 179.831 177.584 -0.051 0.000 1.157 710 A CA 1.451 53.505 52.037 0.027 0.000 0.670 710 A CB -0.396 18.686 19.000 0.138 0.000 0.804 710 A HN 0.347 nan 8.150 nan 0.000 0.453 711 V N 0.462 120.322 119.914 -0.089 0.000 2.719 711 V HA -0.127 3.997 4.120 0.007 0.000 0.252 711 V C 1.854 177.889 176.094 -0.098 0.000 1.065 711 V CA 1.556 63.808 62.300 -0.081 0.000 1.086 711 V CB -0.426 31.349 31.823 -0.080 0.000 0.700 711 V HN 0.474 nan 8.190 nan 0.000 0.467 712 K N 0.041 120.363 120.400 -0.130 0.000 2.525 712 K HA 0.010 4.334 4.320 0.007 0.000 0.192 712 K C 1.479 177.979 176.600 -0.167 0.000 1.029 712 K CA 0.391 56.591 56.287 -0.144 0.000 1.029 712 K CB 0.053 32.459 32.500 -0.157 0.000 0.814 712 K HN 0.439 nan 8.250 nan 0.000 0.503 713 Q N -0.496 119.210 119.800 -0.157 0.000 2.392 713 Q HA 0.092 4.436 4.340 0.007 0.000 0.203 713 Q C 1.314 177.186 176.000 -0.214 0.000 0.917 713 Q CA 0.725 56.441 55.803 -0.146 0.000 0.939 713 Q CB 1.157 29.858 28.738 -0.062 0.000 1.063 713 Q HN 0.538 nan 8.270 nan 0.000 0.516 714 G N 0.382 109.034 108.800 -0.246 0.000 2.699 714 G HA2 -0.239 3.725 3.960 0.007 0.000 0.198 714 G HA3 -0.239 3.725 3.960 0.007 0.000 0.198 714 G C 0.331 175.200 174.900 -0.051 0.000 1.033 714 G CA -0.047 44.787 45.100 -0.443 0.000 0.728 714 G HN 0.305 nan 8.290 nan 0.000 0.484 715 V N -0.095 119.835 119.914 0.025 0.000 3.051 715 V HA 0.569 4.693 4.120 0.007 0.000 0.306 715 V C 1.202 177.341 176.094 0.075 0.000 1.083 715 V CA 0.836 63.198 62.300 0.104 0.000 1.104 715 V CB 1.174 33.053 31.823 0.093 0.000 1.027 715 V HN 0.139 nan 8.190 nan 0.000 0.483 716 D N 2.001 122.479 120.400 0.129 0.000 2.123 716 D HA 0.229 4.873 4.640 0.007 0.000 0.200 716 D C 0.746 177.070 176.300 0.040 0.000 0.976 716 D CA 2.002 56.102 54.000 0.165 0.000 0.831 716 D CB 0.256 41.261 40.800 0.342 0.000 0.974 716 D HN 0.972 nan 8.370 nan 0.000 0.469 717 A N -0.632 122.091 122.820 -0.163 0.000 2.569 717 A HA 0.718 5.042 4.320 0.007 0.000 0.290 717 A C -0.425 176.912 177.584 -0.411 0.000 1.136 717 A CA -0.160 51.582 52.037 -0.490 0.000 0.710 717 A CB 2.178 20.457 19.000 -1.203 0.000 1.303 717 A HN 0.110 nan 8.150 nan 0.000 0.413 718 G N -0.684 107.723 108.800 -0.655 0.000 2.719 718 G HA2 0.653 4.617 3.960 0.007 0.000 0.298 718 G HA3 0.653 4.617 3.960 0.007 0.000 0.298 718 G C -1.690 172.792 174.900 -0.697 0.000 1.411 718 G CA -0.379 44.477 45.100 -0.406 0.000 0.991 718 G HN 0.469 nan 8.290 nan 0.000 0.509 719 F N 0.724 120.634 119.950 -0.066 0.000 2.547 719 F HA 0.725 5.256 4.527 0.006 0.000 0.316 719 F C 0.765 176.543 175.800 -0.037 0.000 1.121 719 F CA -0.378 57.584 58.000 -0.063 0.000 0.911 719 F CB 2.750 41.717 39.000 -0.054 0.000 1.179 719 F HN 0.757 nan 8.300 nan 0.000 0.443 720 G N 1.626 110.489 108.800 0.106 0.000 3.119 720 G HA2 0.545 4.509 3.960 0.007 0.000 0.206 720 G HA3 0.545 4.509 3.960 0.007 0.000 0.206 720 G C -0.688 174.241 174.900 0.048 0.000 1.313 720 G CA -1.157 43.975 45.100 0.053 0.000 1.010 720 G HN 0.506 nan 8.290 nan 0.000 0.578 721 R N -0.704 119.808 120.500 0.020 0.000 2.697 721 R HA 0.335 4.679 4.340 0.007 0.000 0.265 721 R C 1.172 177.488 176.300 0.027 0.000 1.009 721 R CA 1.302 57.412 56.100 0.017 0.000 1.099 721 R CB 0.084 30.386 30.300 0.005 0.000 0.965 721 R HN 1.289 nan 8.270 nan 0.000 0.428 722 G N 1.458 110.280 108.800 0.038 0.000 2.176 722 G HA2 -0.284 3.680 3.960 0.007 0.000 0.252 722 G HA3 -0.284 3.680 3.960 0.007 0.000 0.252 722 G C -0.288 174.686 174.900 0.124 0.000 1.024 722 G CA 0.204 45.343 45.100 0.064 0.000 0.755 722 G HN 0.511 nan 8.290 nan 0.000 0.507 723 S N 0.251 116.032 115.700 0.135 0.000 2.513 723 S HA 0.527 5.001 4.470 0.007 0.000 0.276 723 S C 0.499 175.249 174.600 0.249 0.000 1.254 723 S CA -0.254 58.096 58.200 0.250 0.000 1.053 723 S CB 1.512 64.819 63.200 0.177 0.000 0.958 723 S HN 0.477 nan 8.310 nan 0.000 0.491 724 K N 1.116 121.750 120.400 0.389 0.000 2.166 724 K HA 0.424 4.748 4.320 0.007 0.000 0.245 724 K C 1.543 178.166 176.600 0.039 0.000 0.967 724 K CA -0.740 55.602 56.287 0.092 0.000 0.863 724 K CB 0.981 33.441 32.500 -0.067 0.000 1.107 724 K HN 0.647 nan 8.250 nan 0.000 0.436 725 G N 1.499 110.323 108.800 0.041 0.000 2.503 725 G HA2 -0.271 3.693 3.960 0.007 0.000 0.221 725 G HA3 -0.271 3.693 3.960 0.007 0.000 0.221 725 G C 1.312 176.277 174.900 0.109 0.000 1.131 725 G CA 0.986 46.134 45.100 0.080 0.000 0.756 725 G HN 0.611 nan 8.290 nan 0.000 0.572 726 I N 0.668 121.277 120.570 0.064 0.000 2.208 726 I HA -0.173 4.001 4.170 0.007 0.000 0.245 726 I C 2.459 178.514 176.117 -0.103 0.000 1.097 726 I CA 1.537 62.810 61.300 -0.045 0.000 1.363 726 I CB -0.581 37.375 38.000 -0.074 0.000 1.051 726 I HN 0.389 nan 8.210 nan 0.000 0.413 727 H N -1.132 117.986 119.070 0.081 0.000 2.353 727 H HA -0.100 4.460 4.556 0.007 0.000 0.300 727 H C 2.239 177.669 175.328 0.170 0.000 1.090 727 H CA 1.724 57.864 56.048 0.153 0.000 1.327 727 H CB -0.284 29.618 29.762 0.233 0.000 1.383 727 H HN 0.255 nan 8.280 nan 0.000 0.508 728 V N 0.694 120.652 119.914 0.074 0.000 2.379 728 V HA -0.198 3.926 4.120 0.007 0.000 0.245 728 V C 2.600 178.783 176.094 0.149 0.000 1.044 728 V CA 1.390 63.682 62.300 -0.014 0.000 1.036 728 V CB -0.854 30.825 31.823 -0.240 0.000 0.664 728 V HN 0.564 nan 8.190 nan 0.000 0.453 729 A N 0.012 122.848 122.820 0.025 0.000 1.865 729 A HA -0.261 4.062 4.320 0.007 0.000 0.217 729 A C 2.388 179.930 177.584 -0.070 0.000 1.191 729 A CA 2.729 54.717 52.037 -0.082 0.000 0.623 729 A CB -1.191 17.568 19.000 -0.402 0.000 0.826 729 A HN 0.482 nan 8.150 nan 0.000 0.444 730 T N -0.342 114.183 114.554 -0.048 0.000 2.544 730 T HA -0.262 4.092 4.350 0.007 0.000 0.264 730 T C 1.600 176.360 174.700 0.100 0.000 1.096 730 T CA 2.076 64.186 62.100 0.017 0.000 1.181 730 T CB -0.655 68.260 68.868 0.080 0.000 0.864 730 T HN 0.614 nan 8.240 nan 0.000 0.415 731 F N 1.788 121.801 119.950 0.105 0.000 2.115 731 F HA -0.156 4.375 4.527 0.007 0.000 0.300 731 F C 1.974 177.830 175.800 0.093 0.000 1.092 731 F CA 1.263 59.346 58.000 0.138 0.000 1.245 731 F CB -0.631 38.546 39.000 0.295 0.000 0.995 731 F HN 0.103 nan 8.300 nan 0.000 0.481 732 L N 0.368 121.421 121.223 -0.284 0.000 1.970 732 L HA -0.200 4.144 4.340 0.007 0.000 0.212 732 L C 2.747 179.436 176.870 -0.301 0.000 1.071 732 L CA 1.915 56.504 54.840 -0.418 0.000 0.751 732 L CB -1.090 40.911 42.059 -0.097 0.000 0.889 732 L HN 0.356 nan 8.230 nan 0.000 0.432 733 V N -2.744 117.070 119.914 -0.167 0.000 2.871 733 V HA -0.149 3.975 4.120 0.007 0.000 0.256 733 V C 2.345 178.371 176.094 -0.115 0.000 1.082 733 V CA 1.358 63.586 62.300 -0.121 0.000 1.105 733 V CB -0.330 31.440 31.823 -0.087 0.000 0.713 733 V HN 0.334 nan 8.190 nan 0.000 0.473 734 K N 1.253 121.581 120.400 -0.120 0.000 2.007 734 K HA -0.090 4.234 4.320 0.007 0.000 0.206 734 K C 2.258 178.800 176.600 -0.097 0.000 1.047 734 K CA 1.785 58.028 56.287 -0.074 0.000 0.937 734 K CB -0.261 32.229 32.500 -0.017 0.000 0.718 734 K HN 0.447 nan 8.250 nan 0.000 0.438 735 K N 0.756 121.045 120.400 -0.185 0.000 2.283 735 K HA -0.071 4.252 4.320 0.007 0.000 0.202 735 K C 1.929 178.442 176.600 -0.144 0.000 1.048 735 K CA 1.100 57.285 56.287 -0.171 0.000 0.948 735 K CB 0.013 32.331 32.500 -0.303 0.000 0.742 735 K HN 0.003 nan 8.250 nan 0.000 0.458 736 R N 0.237 120.639 120.500 -0.162 0.000 2.193 736 R HA 0.025 4.369 4.340 0.007 0.000 0.213 736 R C 1.573 177.834 176.300 -0.064 0.000 1.055 736 R CA 0.735 56.771 56.100 -0.107 0.000 0.995 736 R CB 0.088 30.323 30.300 -0.109 0.000 0.893 736 R HN 0.175 nan 8.270 nan 0.000 0.459 737 R N 0.299 120.763 120.500 -0.059 0.000 2.052 737 R HA -0.034 4.310 4.340 0.007 0.000 0.226 737 R C 2.099 178.382 176.300 -0.027 0.000 1.145 737 R CA 1.244 57.322 56.100 -0.037 0.000 0.952 737 R CB -0.364 29.917 30.300 -0.032 0.000 0.847 737 R HN 0.240 nan 8.270 nan 0.000 0.431 738 E N 0.418 120.602 120.200 -0.027 0.000 2.253 738 E HA -0.275 4.079 4.350 0.007 0.000 0.202 738 E C 1.800 178.394 176.600 -0.010 0.000 1.014 738 E CA 1.465 57.856 56.400 -0.014 0.000 0.823 738 E CB 0.020 29.715 29.700 -0.008 0.000 0.736 738 E HN 0.332 nan 8.360 nan 0.000 0.478 739 M N -0.958 118.632 119.600 -0.017 0.000 2.388 739 M HA -0.031 4.453 4.480 0.007 0.000 0.265 739 M C 1.507 177.801 176.300 -0.009 0.000 1.088 739 M CA 0.836 56.129 55.300 -0.011 0.000 1.134 739 M CB 0.218 32.809 32.600 -0.015 0.000 1.384 739 M HN -0.046 nan 8.290 nan 0.000 0.447 740 R N 0.000 120.493 120.500 -0.012 0.000 2.786 740 R HA 0.000 4.344 4.340 0.007 0.000 0.208 740 R CA 0.000 56.094 56.100 -0.010 0.000 0.921 740 R CB 0.000 30.293 30.300 -0.011 0.000 0.687 740 R HN 0.000 nan 8.270 nan 0.000 0.535