REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3kox_1_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 0.000 176.878 176.870 0.014 0.000 1.165 5 L CA 0.000 54.848 54.840 0.013 0.000 0.813 5 L CB 0.000 42.068 42.059 0.014 0.000 0.961 6 Q N 2.104 121.912 119.800 0.015 0.000 0.955 6 Q HA -0.157 4.188 4.340 0.007 0.000 0.271 6 Q C -0.746 175.269 176.000 0.025 0.000 1.056 6 Q CA 0.668 56.482 55.803 0.017 0.000 0.691 6 Q CB -0.378 28.368 28.738 0.014 0.000 4.384 6 Q HN 0.619 nan 8.270 nan 0.000 0.385 7 L N 1.048 122.288 121.223 0.029 0.000 3.147 7 L HA -0.256 4.088 4.340 0.007 0.000 0.550 7 L C -0.077 176.826 176.870 0.056 0.000 1.001 7 L CA 1.604 56.473 54.840 0.047 0.000 1.283 7 L CB -0.856 41.241 42.059 0.062 0.000 1.248 7 L HN 0.587 nan 8.230 nan 0.000 0.613 8 R N 2.485 123.016 120.500 0.051 0.000 2.494 8 R HA 0.429 4.773 4.340 0.007 0.000 0.305 8 R C 1.275 177.615 176.300 0.066 0.000 0.959 8 R CA -0.245 55.888 56.100 0.055 0.000 0.864 8 R CB 1.951 32.269 30.300 0.030 0.000 1.159 8 R HN 0.481 nan 8.270 nan 0.000 0.446 9 V N 0.472 120.450 119.914 0.107 0.000 2.317 9 V HA -0.296 3.828 4.120 0.007 0.000 0.251 9 V C 1.407 177.490 176.094 -0.018 0.000 1.065 9 V CA 2.156 64.526 62.300 0.118 0.000 1.049 9 V CB -0.520 31.441 31.823 0.230 0.000 0.651 9 V HN 0.904 nan 8.190 nan 0.000 0.450 10 N N 0.018 118.714 118.700 -0.007 0.000 2.322 10 N HA 0.080 4.824 4.740 0.007 0.000 0.194 10 N C 0.238 175.726 175.510 -0.037 0.000 1.126 10 N CA 0.155 53.183 53.050 -0.037 0.000 0.845 10 N CB -0.088 38.387 38.487 -0.020 0.000 0.976 10 N HN 0.787 nan 8.380 nan 0.000 0.475 11 E N 0.493 120.677 120.200 -0.026 0.000 2.195 11 E HA 0.295 4.649 4.350 0.007 0.000 0.271 11 E C -0.748 175.831 176.600 -0.036 0.000 0.923 11 E CA -0.786 55.599 56.400 -0.025 0.000 0.790 11 E CB 1.954 31.648 29.700 -0.009 0.000 1.155 11 E HN 0.085 nan 8.360 nan 0.000 0.402 12 K N 1.876 122.253 120.400 -0.039 0.000 2.382 12 K HA 0.131 4.455 4.320 0.007 0.000 0.275 12 K C -0.074 176.509 176.600 -0.029 0.000 1.009 12 K CA -0.205 56.055 56.287 -0.044 0.000 0.970 12 K CB 0.456 32.931 32.500 -0.042 0.000 0.934 12 K HN 0.380 nan 8.250 nan 0.000 0.479 13 L N 2.585 123.790 121.223 -0.029 0.000 2.640 13 L HA -0.137 4.208 4.340 0.007 0.000 0.280 13 L C 0.486 177.343 176.870 -0.022 0.000 1.229 13 L CA 0.289 55.117 54.840 -0.020 0.000 0.919 13 L CB -0.079 41.966 42.059 -0.024 0.000 1.168 13 L HN 0.606 nan 8.230 nan 0.000 0.496 14 D N 2.969 123.360 120.400 -0.016 0.000 2.494 14 D HA 0.144 4.788 4.640 0.007 0.000 0.217 14 D C 0.929 177.217 176.300 -0.019 0.000 1.153 14 D CA -0.365 53.625 54.000 -0.016 0.000 0.954 14 D CB 1.074 41.868 40.800 -0.010 0.000 1.034 14 D HN 0.301 nan 8.370 nan 0.000 0.518 15 V N 1.936 121.833 119.914 -0.029 0.000 2.307 15 V HA -0.156 3.968 4.120 0.007 0.000 0.245 15 V C 1.963 178.044 176.094 -0.023 0.000 1.045 15 V CA 1.675 63.953 62.300 -0.037 0.000 1.024 15 V CB -0.800 30.979 31.823 -0.073 0.000 0.651 15 V HN 0.500 nan 8.190 nan 0.000 0.449 16 E N 1.185 121.372 120.200 -0.021 0.000 2.200 16 E HA -0.391 3.963 4.350 0.007 0.000 0.211 16 E C 1.998 178.600 176.600 0.003 0.000 1.048 16 E CA 2.493 58.889 56.400 -0.007 0.000 0.851 16 E CB -0.277 29.420 29.700 -0.006 0.000 0.747 16 E HN 0.869 nan 8.360 nan 0.000 0.462 17 N N -1.022 117.677 118.700 -0.002 0.000 2.388 17 N HA 0.048 4.792 4.740 0.007 0.000 0.176 17 N C 1.570 177.078 175.510 -0.003 0.000 1.062 17 N CA 0.195 53.245 53.050 0.000 0.000 0.895 17 N CB 0.171 38.656 38.487 -0.002 0.000 1.018 17 N HN 0.102 nan 8.380 nan 0.000 0.456 18 I N 0.739 121.304 120.570 -0.009 0.000 2.226 18 I HA -0.233 3.941 4.170 0.007 0.000 0.245 18 I C 1.537 177.654 176.117 -0.001 0.000 1.100 18 I CA 1.046 62.334 61.300 -0.021 0.000 1.374 18 I CB -0.319 37.665 38.000 -0.026 0.000 1.057 18 I HN 0.290 nan 8.210 nan 0.000 0.413 19 L N 0.343 121.586 121.223 0.033 0.000 2.362 19 L HA -0.097 4.248 4.340 0.007 0.000 0.219 19 L C 0.990 177.890 176.870 0.050 0.000 1.134 19 L CA 0.649 55.531 54.840 0.070 0.000 0.807 19 L CB -0.547 41.568 42.059 0.092 0.000 0.927 19 L HN 0.127 nan 8.230 nan 0.000 0.447 20 K N 0.981 121.397 120.400 0.026 0.000 2.382 20 K HA -0.001 4.323 4.320 0.007 0.000 0.275 20 K C 0.052 176.657 176.600 0.008 0.000 1.009 20 K CA 0.099 56.397 56.287 0.020 0.000 0.970 20 K CB 0.516 33.024 32.500 0.013 0.000 0.934 20 K HN 0.001 nan 8.250 nan 0.000 0.479 21 D N 1.387 121.788 120.400 0.001 0.000 2.945 21 D HA -0.201 4.443 4.640 0.007 0.000 0.225 21 D C 0.974 177.238 176.300 -0.060 0.000 1.158 21 D CA 0.554 54.540 54.000 -0.023 0.000 0.805 21 D CB -1.250 39.546 40.800 -0.008 0.000 1.098 21 D HN 0.501 nan 8.370 nan 0.000 0.426 22 L N 0.527 121.707 121.223 -0.072 0.000 2.187 22 L HA -0.202 4.142 4.340 0.007 0.000 0.213 22 L C 2.407 179.051 176.870 -0.377 0.000 1.100 22 L CA 1.818 56.588 54.840 -0.117 0.000 0.765 22 L CB -0.290 41.762 42.059 -0.012 0.000 0.904 22 L HN 0.200 nan 8.230 nan 0.000 0.437 23 D N -0.049 119.994 120.400 -0.594 0.000 2.263 23 D HA -0.217 4.428 4.640 0.007 0.000 0.208 23 D C 1.529 177.639 176.300 -0.317 0.000 0.971 23 D CA 1.074 54.621 54.000 -0.755 0.000 0.867 23 D CB -0.194 40.334 40.800 -0.453 0.000 0.929 23 D HN 0.300 nan 8.370 nan 0.000 0.492 24 K N -0.488 119.815 120.400 -0.162 0.000 2.426 24 K HA -0.036 4.288 4.320 0.007 0.000 0.193 24 K C 0.300 176.878 176.600 -0.037 0.000 1.028 24 K CA -0.396 55.846 56.287 -0.075 0.000 1.047 24 K CB -0.048 32.431 32.500 -0.036 0.000 0.821 24 K HN 0.259 nan 8.250 nan 0.000 0.513 25 Y N 2.443 122.669 120.300 -0.124 0.000 2.442 25 Y HA -0.010 4.545 4.550 0.007 0.000 0.330 25 Y C -0.247 175.626 175.900 -0.046 0.000 1.129 25 Y CA 0.361 58.417 58.100 -0.075 0.000 1.365 25 Y CB 0.611 39.030 38.460 -0.068 0.000 1.233 25 Y HN -0.177 nan 8.280 nan 0.000 0.529 26 T N 8.762 122.719 114.554 -0.994 0.000 2.863 26 T HA 0.377 4.732 4.350 0.007 0.000 0.285 26 T C -2.706 171.282 174.700 -1.186 0.000 1.009 26 T CA -1.581 59.998 62.100 -0.869 0.000 0.989 26 T CB 1.655 70.302 68.868 -0.368 0.000 1.004 26 T HN 0.419 nan 8.240 nan 0.000 0.455 27 P HA 0.215 nan 4.420 nan 0.000 0.267 27 P C 0.381 177.600 177.300 -0.135 0.000 1.200 27 P CA -0.211 62.755 63.100 -0.223 0.000 0.772 27 P CB 0.871 32.548 31.700 -0.038 0.000 0.855 28 K N 1.462 121.844 120.400 -0.028 0.000 2.044 28 K HA 0.048 4.372 4.320 0.007 0.000 0.204 28 K C 0.652 177.240 176.600 -0.021 0.000 1.045 28 K CA 0.988 57.262 56.287 -0.022 0.000 0.951 28 K CB 0.059 32.563 32.500 0.006 0.000 0.738 28 K HN 0.405 nan 8.250 nan 0.000 0.443 29 R N 0.912 121.406 120.500 -0.010 0.000 2.720 29 R HA 0.403 4.748 4.340 0.007 0.000 0.272 29 R C -0.333 175.962 176.300 -0.009 0.000 0.991 29 R CA -0.755 55.334 56.100 -0.020 0.000 1.010 29 R CB 1.547 31.828 30.300 -0.032 0.000 1.141 29 R HN -0.015 nan 8.270 nan 0.000 0.494 30 R N 0.261 120.748 120.500 -0.022 0.000 2.803 30 R HA 0.681 5.026 4.340 0.007 0.000 0.276 30 R C -0.360 175.922 176.300 -0.030 0.000 0.978 30 R CA -0.775 55.317 56.100 -0.014 0.000 0.939 30 R CB 2.178 32.454 30.300 -0.040 0.000 1.179 30 R HN 0.886 nan 8.270 nan 0.000 0.472 31 G N 1.012 109.809 108.800 -0.004 0.000 2.587 31 G HA2 -0.170 3.795 3.960 0.007 0.000 0.686 31 G HA3 -0.170 3.795 3.960 0.007 0.000 0.686 31 G C -1.464 173.444 174.900 0.013 0.000 1.236 31 G CA -0.802 44.302 45.100 0.006 0.000 0.820 31 G HN 0.589 nan 8.290 nan 0.000 0.645 32 W N 2.167 123.354 121.300 -0.190 0.000 2.261 32 W HA 0.585 5.249 4.660 0.007 0.000 0.323 32 W C 0.434 176.729 176.519 -0.374 0.000 1.243 32 W CA 0.394 57.542 57.345 -0.327 0.000 1.210 32 W CB 1.591 30.790 29.460 -0.436 0.000 1.149 32 W HN 1.071 nan 8.180 nan 0.000 0.562 33 T N 2.703 116.620 114.554 -1.062 0.000 2.815 33 T HA 0.308 4.662 4.350 0.007 0.000 0.289 33 T C -0.513 173.610 174.700 -0.962 0.000 1.000 33 T CA -0.578 61.070 62.100 -0.753 0.000 0.958 33 T CB 0.345 68.941 68.868 -0.454 0.000 0.944 33 T HN 0.419 nan 8.240 nan 0.000 0.442 34 W N 2.011 123.202 121.300 -0.183 0.000 2.034 34 W HA 0.409 5.073 4.660 0.007 0.000 0.357 34 W C 1.268 177.737 176.519 -0.083 0.000 1.326 34 W CA -1.129 56.192 57.345 -0.040 0.000 1.318 34 W CB 0.534 30.042 29.460 0.080 0.000 1.193 34 W HN 0.422 nan 8.180 nan 0.000 0.620 35 R N 0.956 121.610 120.500 0.257 0.000 2.500 35 R HA 0.198 4.542 4.340 0.007 0.000 0.277 35 R C -0.366 175.999 176.300 0.108 0.000 1.026 35 R CA -0.877 55.289 56.100 0.109 0.000 1.058 35 R CB 0.841 31.192 30.300 0.085 0.000 1.078 35 R HN 0.253 nan 8.270 nan 0.000 0.509 36 Q N 2.400 122.232 119.800 0.053 0.000 2.303 36 Q HA 0.330 4.674 4.340 0.007 0.000 0.257 36 Q C -2.326 173.690 176.000 0.026 0.000 0.941 36 Q CA -2.515 53.312 55.803 0.041 0.000 0.931 36 Q CB 1.223 29.974 28.738 0.022 0.000 1.215 36 Q HN 0.287 nan 8.270 nan 0.000 0.437 37 P HA 0.151 nan 4.420 nan 0.000 0.271 37 P C -1.042 176.266 177.300 0.013 0.000 1.216 37 P CA -0.075 63.035 63.100 0.017 0.000 0.776 37 P CB 0.718 32.425 31.700 0.012 0.000 0.881 38 A N 2.572 125.401 122.820 0.014 0.000 2.399 38 A HA 0.286 4.611 4.320 0.007 0.000 0.327 38 A C 0.009 177.611 177.584 0.030 0.000 1.367 38 A CA -0.547 51.500 52.037 0.016 0.000 0.842 38 A CB 0.009 19.014 19.000 0.008 0.000 1.142 38 A HN 0.351 nan 8.150 nan 0.000 0.495 39 E N 1.904 122.121 120.200 0.027 0.000 2.442 39 E HA -0.022 4.332 4.350 0.007 0.000 0.262 39 E C 0.098 176.725 176.600 0.045 0.000 1.004 39 E CA 0.228 56.648 56.400 0.033 0.000 0.928 39 E CB 0.215 29.928 29.700 0.022 0.000 0.937 39 E HN 0.612 nan 8.360 nan 0.000 0.446 40 N N 0.626 119.359 118.700 0.055 0.000 2.701 40 N HA -0.250 4.495 4.740 0.007 0.000 0.250 40 N C -0.212 175.348 175.510 0.084 0.000 1.046 40 N CA 0.364 53.451 53.050 0.061 0.000 0.733 40 N CB -1.107 37.402 38.487 0.037 0.000 0.973 40 N HN 0.308 nan 8.380 nan 0.000 0.541 41 L N 1.157 122.449 121.223 0.114 0.000 2.597 41 L HA 0.010 4.354 4.340 0.007 0.000 0.271 41 L C 0.898 177.893 176.870 0.208 0.000 1.157 41 L CA 0.416 55.333 54.840 0.129 0.000 0.928 41 L CB 0.262 42.382 42.059 0.102 0.000 1.216 41 L HN 0.185 nan 8.230 nan 0.000 0.481 42 Q N 5.443 125.329 119.800 0.143 0.000 2.297 42 Q HA 0.451 4.795 4.340 0.007 0.000 0.267 42 Q C -1.192 174.912 176.000 0.174 0.000 1.006 42 Q CA 0.650 56.546 55.803 0.155 0.000 0.896 42 Q CB 0.616 29.402 28.738 0.080 0.000 1.186 42 Q HN 0.701 nan 8.270 nan 0.000 0.392 43 M N 4.026 123.790 119.600 0.273 0.000 2.267 43 M HA 0.466 4.950 4.480 0.007 0.000 0.289 43 M C 0.476 176.881 176.300 0.175 0.000 1.043 43 M CA -0.292 55.124 55.300 0.193 0.000 0.928 43 M CB 1.929 34.616 32.600 0.145 0.000 1.613 43 M HN 0.948 nan 8.290 nan 0.000 0.450 44 G N 4.069 112.911 108.800 0.069 0.000 2.634 44 G HA2 -0.249 3.716 3.960 0.007 0.000 0.309 44 G HA3 -0.249 3.716 3.960 0.007 0.000 0.309 44 G C -2.213 172.611 174.900 -0.127 0.000 1.265 44 G CA -0.010 45.084 45.100 -0.011 0.000 0.998 44 G HN 0.541 nan 8.290 nan 0.000 0.551 45 P HA 0.360 nan 4.420 nan 0.000 0.255 45 P C -0.125 176.859 177.300 -0.526 0.000 1.248 45 P CA 0.407 63.191 63.100 -0.527 0.000 0.807 45 P CB 0.054 31.316 31.700 -0.731 0.000 1.150 46 F N -0.641 119.308 119.950 -0.002 0.000 2.598 46 F HA 0.495 5.026 4.527 0.007 0.000 0.327 46 F C 0.496 176.214 175.800 -0.137 0.000 1.057 46 F CA -1.679 56.231 58.000 -0.150 0.000 0.957 46 F CB 0.844 39.626 39.000 -0.363 0.000 1.278 46 F HN -0.400 nan 8.300 nan 0.000 0.484 47 I N 1.245 121.793 120.570 -0.036 0.000 2.474 47 I HA 0.348 4.523 4.170 0.007 0.000 0.294 47 I C -1.373 174.606 176.117 -0.230 0.000 1.005 47 I CA -0.804 60.481 61.300 -0.025 0.000 1.113 47 I CB 1.770 39.768 38.000 -0.002 0.000 1.289 47 I HN 0.457 nan 8.210 nan 0.000 0.436 48 Y N 4.700 125.026 120.300 0.042 0.000 2.377 48 Y HA 0.317 4.871 4.550 0.007 0.000 0.339 48 Y C 0.701 176.605 175.900 0.007 0.000 1.011 48 Y CA -0.628 57.480 58.100 0.014 0.000 1.093 48 Y CB 1.669 40.136 38.460 0.012 0.000 1.201 48 Y HN 0.404 nan 8.280 nan 0.000 0.455 49 K N 0.303 120.763 120.400 0.100 0.000 2.284 49 K HA 0.070 4.394 4.320 0.007 0.000 0.198 49 K C -0.390 176.250 176.600 0.065 0.000 1.048 49 K CA 0.802 57.124 56.287 0.059 0.000 0.987 49 K CB 0.365 32.877 32.500 0.020 0.000 0.800 49 K HN 0.538 nan 8.250 nan 0.000 0.486 50 D N 0.080 120.533 120.400 0.089 0.000 2.891 50 D HA 0.235 4.879 4.640 0.007 0.000 0.332 50 D C -0.874 175.462 176.300 0.061 0.000 1.369 50 D CA -0.060 53.977 54.000 0.061 0.000 0.827 50 D CB 0.705 41.533 40.800 0.047 0.000 1.141 50 D HN 0.084 nan 8.370 nan 0.000 0.464 51 A N 0.376 123.234 122.820 0.064 0.000 2.281 51 A HA 0.797 5.121 4.320 0.007 0.000 0.329 51 A C 0.457 178.044 177.584 0.004 0.000 1.122 51 A CA -0.462 51.581 52.037 0.009 0.000 0.850 51 A CB 1.122 20.099 19.000 -0.038 0.000 1.207 51 A HN 0.137 nan 8.150 nan 0.000 0.495 52 S N -0.624 115.066 115.700 -0.016 0.000 2.726 52 S HA 0.648 5.122 4.470 0.007 0.000 0.308 52 S C -0.064 174.519 174.600 -0.029 0.000 1.115 52 S CA -0.474 57.721 58.200 -0.009 0.000 0.965 52 S CB 0.724 63.927 63.200 0.004 0.000 1.145 52 S HN 0.749 nan 8.310 nan 0.000 0.532 53 T N 3.848 118.388 114.554 -0.023 0.000 2.891 53 T HA 0.194 4.548 4.350 0.007 0.000 0.296 53 T C -2.326 172.341 174.700 -0.054 0.000 1.025 53 T CA 0.071 62.151 62.100 -0.034 0.000 1.149 53 T CB -0.570 68.279 68.868 -0.031 0.000 1.007 53 T HN 0.486 nan 8.240 nan 0.000 0.528 54 P HA 0.185 nan 4.420 nan 0.000 0.269 54 P C 0.158 177.404 177.300 -0.089 0.000 1.209 54 P CA -0.450 62.602 63.100 -0.080 0.000 0.776 54 P CB 0.437 32.093 31.700 -0.074 0.000 0.876 55 L N 1.867 123.023 121.223 -0.111 0.000 2.473 55 L HA 0.044 4.388 4.340 0.007 0.000 0.268 55 L C 1.764 178.540 176.870 -0.155 0.000 1.215 55 L CA 0.290 55.041 54.840 -0.148 0.000 0.823 55 L CB 0.027 41.972 42.059 -0.191 0.000 1.099 55 L HN 0.508 nan 8.230 nan 0.000 0.483 56 E N 0.361 120.451 120.200 -0.184 0.000 2.140 56 E HA 0.035 4.389 4.350 0.007 0.000 0.191 56 E C -0.102 176.350 176.600 -0.247 0.000 0.973 56 E CA 0.551 56.847 56.400 -0.174 0.000 0.829 56 E CB 0.339 29.951 29.700 -0.146 0.000 0.781 56 E HN 0.496 nan 8.360 nan 0.000 0.466 57 N N 0.558 119.000 118.700 -0.431 0.000 2.314 57 N HA 0.231 4.976 4.740 0.007 0.000 0.294 57 N C -1.212 173.749 175.510 -0.915 0.000 1.029 57 N CA -0.098 52.519 53.050 -0.722 0.000 0.845 57 N CB 2.099 39.919 38.487 -1.112 0.000 1.321 57 N HN -0.029 nan 8.380 nan 0.000 0.481 58 S N -0.577 114.800 115.700 -0.538 0.000 2.596 58 S HA 0.509 4.983 4.470 0.007 0.000 0.270 58 S C -0.962 173.730 174.600 0.153 0.000 1.155 58 S CA -0.769 57.308 58.200 -0.206 0.000 0.827 58 S CB 1.386 64.491 63.200 -0.159 0.000 1.130 58 S HN 0.091 nan 8.310 nan 0.000 0.467 59 V N 1.638 121.607 119.914 0.093 0.000 2.370 59 V HA 0.723 4.847 4.120 0.007 0.000 0.279 59 V C 0.763 176.773 176.094 -0.141 0.000 1.029 59 V CA -0.228 62.023 62.300 -0.081 0.000 0.870 59 V CB 0.631 32.252 31.823 -0.337 0.000 0.984 59 V HN 1.189 nan 8.190 nan 0.000 0.451 60 A N 5.439 128.242 122.820 -0.028 0.000 2.287 60 A HA 0.739 5.064 4.320 0.007 0.000 0.273 60 A C -0.061 177.554 177.584 0.051 0.000 1.091 60 A CA -0.581 51.465 52.037 0.014 0.000 0.817 60 A CB 0.288 19.314 19.000 0.043 0.000 1.069 60 A HN 0.804 nan 8.150 nan 0.000 0.492 61 L N 0.983 122.261 121.223 0.090 0.000 2.483 61 L HA 0.109 4.453 4.340 0.007 0.000 0.276 61 L C -1.294 175.651 176.870 0.126 0.000 1.213 61 L CA -1.096 53.820 54.840 0.127 0.000 0.843 61 L CB 0.167 42.311 42.059 0.141 0.000 1.107 61 L HN 0.559 nan 8.230 nan 0.000 0.487 62 P HA -0.178 nan 4.420 nan 0.000 0.216 62 P C 0.996 178.361 177.300 0.108 0.000 1.154 62 P CA 1.318 64.479 63.100 0.101 0.000 0.865 62 P CB 0.195 31.959 31.700 0.106 0.000 0.789 63 S N -1.435 114.381 115.700 0.193 0.000 2.631 63 S HA 0.204 4.678 4.470 0.007 0.000 0.217 63 S C 1.741 176.567 174.600 0.378 0.000 0.958 63 S CA 0.444 58.833 58.200 0.315 0.000 0.920 63 S CB -0.541 62.900 63.200 0.403 0.000 0.776 63 S HN 0.135 nan 8.310 nan 0.000 0.517 64 A N 2.846 125.830 122.820 0.274 0.000 2.015 64 A HA -0.158 4.167 4.320 0.007 0.000 0.219 64 A C 2.040 179.738 177.584 0.189 0.000 1.163 64 A CA 1.419 53.650 52.037 0.324 0.000 0.646 64 A CB -0.501 18.619 19.000 0.201 0.000 0.806 64 A HN 0.668 nan 8.150 nan 0.000 0.448 65 K N -1.352 119.038 120.400 -0.017 0.000 2.286 65 K HA -0.196 4.128 4.320 0.007 0.000 0.203 65 K C 1.028 177.430 176.600 -0.330 0.000 1.045 65 K CA 1.819 57.986 56.287 -0.200 0.000 0.935 65 K CB -0.578 31.727 32.500 -0.325 0.000 0.737 65 K HN 0.530 nan 8.250 nan 0.000 0.460 66 Y N -0.384 119.776 120.300 -0.233 0.000 2.490 66 Y HA 0.168 4.722 4.550 0.007 0.000 0.281 66 Y C 0.231 175.727 175.900 -0.673 0.000 1.174 66 Y CA -0.196 57.595 58.100 -0.515 0.000 1.295 66 Y CB 0.261 38.247 38.460 -0.790 0.000 1.062 66 Y HN -0.017 nan 8.280 nan 0.000 0.522 67 F N -0.929 119.133 119.950 0.186 0.000 2.810 67 F HA 0.508 5.040 4.527 0.007 0.000 0.353 67 F C 1.097 176.941 175.800 0.074 0.000 1.227 67 F CA -0.822 57.265 58.000 0.146 0.000 1.210 67 F CB 0.745 39.905 39.000 0.267 0.000 1.039 67 F HN -0.057 nan 8.300 nan 0.000 0.509 68 G N 0.583 109.464 108.800 0.135 0.000 2.272 68 G HA2 -0.287 3.678 3.960 0.007 0.000 0.280 68 G HA3 -0.287 3.678 3.960 0.007 0.000 0.280 68 G C 0.190 175.145 174.900 0.092 0.000 1.067 68 G CA 0.134 45.284 45.100 0.083 0.000 0.902 68 G HN 0.509 nan 8.290 nan 0.000 0.500 69 D N -0.854 119.603 120.400 0.094 0.000 2.755 69 D HA -0.241 4.404 4.640 0.007 0.000 0.228 69 D C 1.405 177.758 176.300 0.087 0.000 1.172 69 D CA 1.629 55.680 54.000 0.085 0.000 0.630 69 D CB -0.994 39.832 40.800 0.043 0.000 1.040 69 D HN 1.152 nan 8.370 nan 0.000 0.418 70 I N -2.445 118.201 120.570 0.127 0.000 2.779 70 I HA 0.243 4.417 4.170 0.007 0.000 0.285 70 I C 0.549 176.702 176.117 0.060 0.000 1.134 70 I CA 0.085 61.439 61.300 0.091 0.000 1.398 70 I CB 0.812 38.891 38.000 0.132 0.000 1.404 70 I HN -0.289 nan 8.210 nan 0.000 0.587 71 D N 5.398 125.794 120.400 -0.006 0.000 2.945 71 D HA 0.362 5.007 4.640 0.007 0.000 0.340 71 D C -2.532 173.711 176.300 -0.095 0.000 1.240 71 D CA -1.529 52.452 54.000 -0.032 0.000 0.749 71 D CB 0.565 41.345 40.800 -0.033 0.000 1.217 71 D HN 0.399 nan 8.370 nan 0.000 0.514 72 P HA 0.054 nan 4.420 nan 0.000 0.267 72 P C -0.529 176.669 177.300 -0.169 0.000 1.200 72 P CA 0.016 62.941 63.100 -0.293 0.000 0.772 72 P CB 0.830 32.160 31.700 -0.617 0.000 0.855 73 Q N 2.534 122.247 119.800 -0.145 0.000 2.337 73 Q HA 0.442 4.787 4.340 0.007 0.000 0.266 73 Q C -2.238 173.730 176.000 -0.055 0.000 1.023 73 Q CA -1.991 53.767 55.803 -0.075 0.000 0.829 73 Q CB 1.975 30.678 28.738 -0.059 0.000 1.306 73 Q HN 0.382 nan 8.270 nan 0.000 0.449 74 P HA 0.188 nan 4.420 nan 0.000 0.277 74 P C 0.679 177.992 177.300 0.022 0.000 1.271 74 P CA -0.385 62.719 63.100 0.007 0.000 0.795 74 P CB 1.094 32.808 31.700 0.024 0.000 1.101 75 L N -1.058 120.185 121.223 0.033 0.000 2.056 75 L HA 0.023 4.368 4.340 0.007 0.000 0.207 75 L C -1.156 175.761 176.870 0.078 0.000 1.078 75 L CA 0.973 55.840 54.840 0.045 0.000 0.749 75 L CB -1.978 40.100 42.059 0.032 0.000 0.901 75 L HN 0.313 nan 8.230 nan 0.000 0.433 76 P HA 0.087 nan 4.420 nan 0.000 0.274 76 P C -0.545 176.849 177.300 0.157 0.000 1.231 76 P CA -0.137 63.044 63.100 0.135 0.000 0.790 76 P CB 0.992 32.756 31.700 0.108 0.000 0.951 77 V N 3.494 123.551 119.914 0.239 0.000 2.715 77 V HA 0.114 4.238 4.120 0.007 0.000 0.299 77 V C 0.484 176.686 176.094 0.179 0.000 1.054 77 V CA 0.214 62.626 62.300 0.187 0.000 1.077 77 V CB 0.135 32.081 31.823 0.204 0.000 0.972 77 V HN 0.344 nan 8.190 nan 0.000 0.484 78 I N 3.708 124.358 120.570 0.134 0.000 2.389 78 I HA 0.383 4.557 4.170 0.007 0.000 0.288 78 I C 0.268 176.459 176.117 0.124 0.000 0.999 78 I CA -0.062 61.309 61.300 0.117 0.000 1.129 78 I CB 1.663 39.710 38.000 0.079 0.000 1.288 78 I HN 0.598 nan 8.210 nan 0.000 0.444 79 T N 3.912 118.521 114.554 0.091 0.000 2.902 79 T HA 0.563 4.917 4.350 0.007 0.000 0.283 79 T C 0.150 174.826 174.700 -0.041 0.000 1.009 79 T CA -0.506 61.585 62.100 -0.015 0.000 1.051 79 T CB 2.290 71.078 68.868 -0.133 0.000 0.999 79 T HN 0.648 nan 8.240 nan 0.000 0.474 80 T N 1.260 115.776 114.554 -0.064 0.000 2.900 80 T HA 0.423 4.777 4.350 0.007 0.000 0.303 80 T C -1.635 173.034 174.700 -0.051 0.000 1.142 80 T CA -0.702 61.378 62.100 -0.032 0.000 1.007 80 T CB 1.496 70.379 68.868 0.025 0.000 1.156 80 T HN 0.617 nan 8.240 nan 0.000 0.490 81 E N 2.685 122.871 120.200 -0.023 0.000 2.129 81 E HA 0.552 4.907 4.350 0.007 0.000 0.268 81 E C -0.793 175.833 176.600 0.044 0.000 0.900 81 E CA -0.441 55.954 56.400 -0.010 0.000 0.755 81 E CB 1.421 31.110 29.700 -0.018 0.000 1.117 81 E HN 0.453 nan 8.360 nan 0.000 0.410 82 I N 2.466 123.080 120.570 0.073 0.000 2.468 82 I HA 0.561 4.735 4.170 0.007 0.000 0.284 82 I C -0.791 175.410 176.117 0.140 0.000 1.038 82 I CA -0.670 60.700 61.300 0.117 0.000 1.083 82 I CB 1.773 39.857 38.000 0.141 0.000 1.223 82 I HN 0.527 nan 8.210 nan 0.000 0.443 83 A N 3.456 126.360 122.820 0.141 0.000 2.664 83 A HA 0.343 4.667 4.320 0.007 0.000 0.300 83 A C 0.336 178.021 177.584 0.167 0.000 1.210 83 A CA -0.299 51.834 52.037 0.160 0.000 0.863 83 A CB 0.448 19.522 19.000 0.123 0.000 1.464 83 A HN 0.714 nan 8.150 nan 0.000 0.438 84 S N 0.382 116.221 115.700 0.231 0.000 2.558 84 S HA 0.405 4.879 4.470 0.007 0.000 0.217 84 S C 1.535 176.375 174.600 0.400 0.000 0.975 84 S CA 1.045 59.416 58.200 0.286 0.000 0.912 84 S CB 0.170 63.620 63.200 0.415 0.000 0.776 84 S HN 2.537 nan 8.310 nan 0.000 0.526 85 G N 1.325 110.317 108.800 0.320 0.000 2.213 85 G HA2 -0.225 3.740 3.960 0.007 0.000 0.236 85 G HA3 -0.225 3.740 3.960 0.007 0.000 0.236 85 G C 0.150 175.185 174.900 0.224 0.000 0.991 85 G CA -0.131 45.149 45.100 0.301 0.000 0.629 85 G HN 0.554 nan 8.290 nan 0.000 0.517 86 R N 0.177 120.815 120.500 0.230 0.000 2.487 86 R HA 0.402 4.746 4.340 0.007 0.000 0.288 86 R C 1.360 177.701 176.300 0.068 0.000 1.394 86 R CA -0.242 55.856 56.100 -0.003 0.000 1.155 86 R CB 0.044 30.072 30.300 -0.453 0.000 1.156 86 R HN 0.368 nan 8.270 nan 0.000 0.553 87 F N 2.616 122.607 119.950 0.069 0.000 2.147 87 F HA -0.282 4.250 4.527 0.007 0.000 0.301 87 F C 2.051 177.888 175.800 0.063 0.000 1.084 87 F CA 1.670 59.723 58.000 0.088 0.000 1.268 87 F CB 0.027 39.080 39.000 0.089 0.000 1.009 87 F HN 0.357 nan 8.300 nan 0.000 0.486 88 E N 0.788 120.274 120.200 -1.189 0.000 2.106 88 E HA -0.228 4.127 4.350 0.007 0.000 0.192 88 E C 1.378 177.775 176.600 -0.337 0.000 0.984 88 E CA 1.684 57.527 56.400 -0.928 0.000 0.806 88 E CB -1.024 28.170 29.700 -0.842 0.000 0.750 88 E HN 0.561 nan 8.360 nan 0.000 0.458 89 D N 1.475 121.759 120.400 -0.194 0.000 2.149 89 D HA -0.107 4.537 4.640 0.007 0.000 0.201 89 D C 1.295 177.649 176.300 0.090 0.000 0.972 89 D CA 1.113 55.116 54.000 0.006 0.000 0.835 89 D CB -0.069 40.828 40.800 0.161 0.000 0.966 89 D HN 0.211 nan 8.370 nan 0.000 0.476 90 D N 0.883 121.350 120.400 0.112 0.000 2.178 90 D HA -0.065 4.579 4.640 0.007 0.000 0.202 90 D C 2.266 178.641 176.300 0.125 0.000 0.974 90 D CA 0.154 54.258 54.000 0.173 0.000 0.841 90 D CB -0.212 40.715 40.800 0.212 0.000 0.953 90 D HN 0.290 nan 8.370 nan 0.000 0.478 91 I N 0.888 121.504 120.570 0.077 0.000 2.194 91 I HA -0.323 3.851 4.170 0.007 0.000 0.246 91 I C 2.494 178.626 176.117 0.027 0.000 1.093 91 I CA 1.332 62.664 61.300 0.053 0.000 1.355 91 I CB -0.108 37.902 38.000 0.016 0.000 1.046 91 I HN -0.058 nan 8.210 nan 0.000 0.413 92 R N -0.105 120.390 120.500 -0.008 0.000 2.075 92 R HA -0.132 4.212 4.340 0.007 0.000 0.232 92 R C 2.470 178.729 176.300 -0.068 0.000 1.126 92 R CA 1.060 57.126 56.100 -0.056 0.000 0.963 92 R CB -0.364 29.873 30.300 -0.106 0.000 0.858 92 R HN 0.303 nan 8.270 nan 0.000 0.435 93 R N 0.849 121.325 120.500 -0.040 0.000 2.120 93 R HA -0.086 4.258 4.340 0.007 0.000 0.234 93 R C 2.186 178.530 176.300 0.074 0.000 1.123 93 R CA 1.381 57.491 56.100 0.016 0.000 0.975 93 R CB -0.062 30.362 30.300 0.207 0.000 0.866 93 R HN 0.215 nan 8.270 nan 0.000 0.446 94 M N -0.553 119.103 119.600 0.092 0.000 2.202 94 M HA -0.190 4.294 4.480 0.007 0.000 0.262 94 M C 2.373 178.743 176.300 0.117 0.000 1.063 94 M CA 1.522 56.888 55.300 0.110 0.000 1.097 94 M CB -0.368 32.300 32.600 0.113 0.000 1.382 94 M HN 0.130 nan 8.290 nan 0.000 0.413 95 R N 0.946 121.504 120.500 0.098 0.000 2.062 95 R HA -0.060 4.285 4.340 0.007 0.000 0.229 95 R C 2.144 178.567 176.300 0.205 0.000 1.128 95 R CA 1.391 57.583 56.100 0.153 0.000 0.960 95 R CB -0.109 30.242 30.300 0.085 0.000 0.855 95 R HN 0.326 nan 8.270 nan 0.000 0.432 96 M N 0.287 119.941 119.600 0.090 0.000 2.110 96 M HA -0.218 4.266 4.480 0.007 0.000 0.257 96 M C 2.532 178.979 176.300 0.245 0.000 1.071 96 M CA 2.163 57.531 55.300 0.113 0.000 1.096 96 M CB -0.543 32.060 32.600 0.005 0.000 1.300 96 M HN 0.283 nan 8.290 nan 0.000 0.411 97 A N 0.348 123.269 122.820 0.167 0.000 1.917 97 A HA -0.147 4.177 4.320 0.007 0.000 0.219 97 A C 2.380 180.098 177.584 0.223 0.000 1.182 97 A CA 2.329 54.469 52.037 0.173 0.000 0.633 97 A CB -1.061 18.014 19.000 0.125 0.000 0.819 97 A HN 0.575 nan 8.150 nan 0.000 0.448 98 A N -2.233 120.721 122.820 0.223 0.000 1.968 98 A HA -0.056 4.269 4.320 0.007 0.000 0.217 98 A C 1.859 179.549 177.584 0.175 0.000 1.169 98 A CA 1.192 53.329 52.037 0.166 0.000 0.638 98 A CB -0.743 18.333 19.000 0.126 0.000 0.812 98 A HN 0.711 nan 8.150 nan 0.000 0.446 99 W N -0.453 120.882 121.300 0.060 0.000 2.465 99 W HA -0.029 4.636 4.660 0.008 0.000 0.268 99 W C 1.932 178.411 176.519 -0.066 0.000 1.242 99 W CA 1.283 58.625 57.345 -0.004 0.000 1.248 99 W CB -0.171 29.287 29.460 -0.005 0.000 1.118 99 W HN 0.482 nan 8.180 nan 0.000 0.587 100 H N -1.518 117.683 119.070 0.218 0.000 2.539 100 H HA 0.255 4.815 4.556 0.007 0.000 0.269 100 H C 1.716 177.094 175.328 0.083 0.000 0.980 100 H CA 1.004 57.134 56.048 0.137 0.000 1.152 100 H CB 0.403 30.237 29.762 0.120 0.000 1.407 100 H HN 0.249 nan 8.280 nan 0.000 0.564 101 G N 0.406 109.289 108.800 0.138 0.000 2.260 101 G HA2 -0.199 3.766 3.960 0.007 0.000 0.179 101 G HA3 -0.199 3.766 3.960 0.007 0.000 0.179 101 G C 0.440 175.378 174.900 0.064 0.000 1.002 101 G CA -0.130 45.010 45.100 0.068 0.000 0.677 101 G HN 0.516 nan 8.290 nan 0.000 0.486 102 A N 1.466 124.341 122.820 0.093 0.000 2.454 102 A HA 0.520 4.844 4.320 0.007 0.000 0.260 102 A C 0.852 178.467 177.584 0.052 0.000 1.106 102 A CA 0.912 52.996 52.037 0.078 0.000 0.780 102 A CB 0.195 19.248 19.000 0.088 0.000 1.044 102 A HN 0.726 nan 8.150 nan 0.000 0.498 103 D N 1.374 121.796 120.400 0.037 0.000 2.593 103 D HA 0.083 4.727 4.640 0.007 0.000 0.241 103 D C -0.099 176.203 176.300 0.003 0.000 1.257 103 D CA 0.113 54.104 54.000 -0.014 0.000 0.828 103 D CB -0.470 40.284 40.800 -0.078 0.000 1.049 103 D HN 0.705 nan 8.370 nan 0.000 0.490 104 H N 0.391 119.432 119.070 -0.048 0.000 3.240 104 H HA 0.299 4.859 4.556 0.007 0.000 0.326 104 H C -1.308 174.035 175.328 0.025 0.000 1.015 104 H CA -0.718 55.313 56.048 -0.028 0.000 1.504 104 H CB 1.015 30.788 29.762 0.017 0.000 1.754 104 H HN -0.128 nan 8.280 nan 0.000 0.505 105 I N 5.819 126.475 120.570 0.144 0.000 2.378 105 I HA 0.271 4.445 4.170 0.007 0.000 0.291 105 I C -0.100 176.011 176.117 -0.010 0.000 0.992 105 I CA -0.577 60.765 61.300 0.071 0.000 1.154 105 I CB 1.357 39.472 38.000 0.192 0.000 1.315 105 I HN 0.660 nan 8.210 nan 0.000 0.448 106 M N 7.085 126.621 119.600 -0.108 0.000 2.321 106 M HA 0.585 5.069 4.480 0.007 0.000 0.315 106 M C -1.754 174.537 176.300 -0.016 0.000 1.052 106 M CA -0.557 54.650 55.300 -0.155 0.000 0.936 106 M CB 1.955 34.343 32.600 -0.353 0.000 1.639 106 M HN 0.260 nan 8.290 nan 0.000 0.433 107 V N 6.567 126.493 119.914 0.020 0.000 2.350 107 V HA 0.421 4.545 4.120 0.007 0.000 0.285 107 V C -0.029 176.201 176.094 0.226 0.000 1.014 107 V CA -0.624 61.739 62.300 0.104 0.000 0.831 107 V CB 1.167 33.037 31.823 0.079 0.000 1.000 107 V HN 0.816 nan 8.190 nan 0.000 0.433 108 I N 4.910 125.573 120.570 0.154 0.000 2.575 108 I HA 0.322 4.496 4.170 0.007 0.000 0.285 108 I C 0.958 177.063 176.117 -0.019 0.000 1.085 108 I CA -0.187 61.111 61.300 -0.003 0.000 1.403 108 I CB 0.590 38.533 38.000 -0.095 0.000 1.409 108 I HN 0.531 nan 8.210 nan 0.000 0.557 109 R N 2.814 123.237 120.500 -0.129 0.000 2.615 109 R HA 0.231 4.575 4.340 0.007 0.000 0.270 109 R C 0.192 176.448 176.300 -0.074 0.000 1.081 109 R CA -0.577 55.484 56.100 -0.065 0.000 1.154 109 R CB 0.504 30.734 30.300 -0.117 0.000 1.063 109 R HN 0.546 nan 8.270 nan 0.000 0.519 110 T N 0.642 115.183 114.554 -0.021 0.000 2.906 110 T HA 0.093 4.447 4.350 0.007 0.000 0.320 110 T C 0.190 174.846 174.700 -0.072 0.000 1.088 110 T CA -0.320 61.778 62.100 -0.003 0.000 1.120 110 T CB 0.343 69.252 68.868 0.069 0.000 1.000 110 T HN 0.603 nan 8.240 nan 0.000 0.550 111 A N 2.709 125.510 122.820 -0.031 0.000 2.537 111 A HA 0.470 4.795 4.320 0.007 0.000 0.260 111 A C 1.575 179.119 177.584 -0.068 0.000 1.082 111 A CA 0.387 52.396 52.037 -0.046 0.000 0.765 111 A CB -1.247 17.754 19.000 0.002 0.000 1.019 111 A HN 1.968 nan 8.150 nan 0.000 0.507 112 G N 1.791 110.515 108.800 -0.127 0.000 2.132 112 G HA2 -0.313 3.652 3.960 0.007 0.000 0.234 112 G HA3 -0.313 3.652 3.960 0.007 0.000 0.234 112 G C 0.816 175.494 174.900 -0.369 0.000 0.989 112 G CA 0.790 45.808 45.100 -0.137 0.000 0.676 112 G HN 1.042 nan 8.290 nan 0.000 0.522 113 Q N 0.488 119.948 119.800 -0.567 0.000 2.234 113 Q HA -0.054 4.290 4.340 0.007 0.000 0.206 113 Q C 2.585 178.253 176.000 -0.554 0.000 0.980 113 Q CA 2.179 57.377 55.803 -1.008 0.000 0.869 113 Q CB -0.375 28.001 28.738 -0.604 0.000 0.912 113 Q HN 0.506 nan 8.270 nan 0.000 0.436 114 S N -0.350 115.142 115.700 -0.346 0.000 2.407 114 S HA -0.196 4.279 4.470 0.007 0.000 0.235 114 S C 1.225 175.712 174.600 -0.189 0.000 1.036 114 S CA 1.343 59.396 58.200 -0.245 0.000 1.013 114 S CB -0.331 62.709 63.200 -0.266 0.000 0.820 114 S HN 0.572 nan 8.310 nan 0.000 0.476 115 H N -1.160 117.880 119.070 -0.050 0.000 2.553 115 H HA 0.167 4.727 4.556 0.007 0.000 0.265 115 H C -0.364 175.072 175.328 0.180 0.000 0.964 115 H CA -0.097 55.980 56.048 0.048 0.000 1.156 115 H CB -0.115 29.680 29.762 0.055 0.000 1.411 115 H HN 0.312 nan 8.280 nan 0.000 0.558 116 Y N 1.827 122.196 120.300 0.115 0.000 2.697 116 Y HA -0.025 4.529 4.550 0.007 0.000 0.349 116 Y C 0.998 176.928 175.900 0.050 0.000 1.120 116 Y CA -0.690 57.450 58.100 0.066 0.000 1.468 116 Y CB -0.239 38.244 38.460 0.039 0.000 1.182 116 Y HN 0.065 nan 8.280 nan 0.000 0.525 117 D N 2.117 122.630 120.400 0.188 0.000 3.008 117 D HA 0.376 5.021 4.640 0.007 0.000 0.242 117 D C 0.442 176.792 176.300 0.083 0.000 1.222 117 D CA 0.425 54.495 54.000 0.116 0.000 0.883 117 D CB -0.433 40.421 40.800 0.090 0.000 1.110 117 D HN 0.770 nan 8.370 nan 0.000 0.455 118 G N -0.510 108.347 108.800 0.094 0.000 2.321 118 G HA2 0.150 4.114 3.960 0.007 0.000 0.298 118 G HA3 0.150 4.114 3.960 0.007 0.000 0.298 118 G C -1.099 173.843 174.900 0.069 0.000 1.385 118 G CA -1.031 44.103 45.100 0.058 0.000 0.856 118 G HN 0.161 nan 8.290 nan 0.000 0.584 119 L N 0.452 121.698 121.223 0.038 0.000 2.483 119 L HA 0.463 4.807 4.340 0.007 0.000 0.275 119 L C 0.985 177.871 176.870 0.025 0.000 1.220 119 L CA -0.236 54.628 54.840 0.040 0.000 0.833 119 L CB 0.557 42.626 42.059 0.016 0.000 1.102 119 L HN 0.641 nan 8.230 nan 0.000 0.490 120 I N -1.678 118.918 120.570 0.043 0.000 2.982 120 I HA 0.598 4.772 4.170 0.007 0.000 0.312 120 I C -0.710 175.395 176.117 -0.019 0.000 1.041 120 I CA -0.822 60.469 61.300 -0.014 0.000 1.053 120 I CB 1.900 39.876 38.000 -0.041 0.000 1.248 120 I HN 0.383 nan 8.210 nan 0.000 0.471 121 E N 1.825 121.994 120.200 -0.052 0.000 2.266 121 E HA 0.711 5.065 4.350 0.007 0.000 0.268 121 E C -0.056 176.500 176.600 -0.074 0.000 0.879 121 E CA -0.261 56.090 56.400 -0.081 0.000 0.762 121 E CB 1.854 31.488 29.700 -0.110 0.000 1.199 121 E HN 1.129 nan 8.360 nan 0.000 0.422 122 G N 0.951 109.696 108.800 -0.091 0.000 2.428 122 G HA2 -0.150 3.815 3.960 0.007 0.000 0.202 122 G HA3 -0.150 3.815 3.960 0.007 0.000 0.202 122 G C -0.473 174.399 174.900 -0.047 0.000 1.247 122 G CA -0.145 44.916 45.100 -0.065 0.000 1.020 122 G HN 0.783 nan 8.290 nan 0.000 0.529 123 T N -0.944 113.613 114.554 0.004 0.000 3.732 123 T HA 0.658 5.012 4.350 0.007 0.000 0.234 123 T C -2.278 172.473 174.700 0.086 0.000 1.146 123 T CA -0.250 61.887 62.100 0.062 0.000 1.454 123 T CB 1.932 70.906 68.868 0.176 0.000 0.910 123 T HN 0.620 nan 8.240 nan 0.000 0.640 124 P HA 0.293 nan 4.420 nan 0.000 0.279 124 P C -0.501 176.845 177.300 0.076 0.000 1.276 124 P CA -0.479 62.654 63.100 0.055 0.000 0.801 124 P CB 0.917 32.643 31.700 0.043 0.000 1.127 125 Q N -0.188 119.644 119.800 0.052 0.000 2.267 125 Q HA 0.501 4.845 4.340 0.007 0.000 0.255 125 Q C 0.249 176.304 176.000 0.093 0.000 0.923 125 Q CA -0.379 55.451 55.803 0.045 0.000 0.925 125 Q CB 0.379 29.112 28.738 -0.009 0.000 1.195 125 Q HN 0.600 nan 8.270 nan 0.000 0.417 126 G N 3.060 111.936 108.800 0.125 0.000 2.557 126 G HA2 0.576 4.540 3.960 0.007 0.000 0.292 126 G HA3 0.576 4.540 3.960 0.007 0.000 0.292 126 G C -0.772 174.218 174.900 0.149 0.000 1.237 126 G CA -0.637 44.547 45.100 0.141 0.000 0.978 126 G HN 0.706 nan 8.290 nan 0.000 0.498 127 I N 0.009 120.654 120.570 0.125 0.000 2.529 127 I HA 0.372 4.547 4.170 0.007 0.000 0.284 127 I C 0.820 176.985 176.117 0.080 0.000 1.088 127 I CA -0.103 61.266 61.300 0.114 0.000 1.062 127 I CB 1.904 39.963 38.000 0.097 0.000 1.218 127 I HN 0.911 nan 8.210 nan 0.000 0.442 128 G N 3.981 112.829 108.800 0.081 0.000 2.233 128 G HA2 -0.025 3.939 3.960 0.007 0.000 0.270 128 G HA3 -0.025 3.939 3.960 0.007 0.000 0.270 128 G C 0.349 175.271 174.900 0.036 0.000 1.011 128 G CA 0.387 45.514 45.100 0.046 0.000 0.762 128 G HN 1.312 nan 8.290 nan 0.000 0.511 129 G N -3.027 105.818 108.800 0.074 0.000 2.313 129 G HA2 0.548 4.512 3.960 0.007 0.000 0.296 129 G HA3 0.548 4.512 3.960 0.007 0.000 0.296 129 G C -1.068 173.900 174.900 0.113 0.000 1.356 129 G CA 0.035 45.175 45.100 0.068 0.000 0.833 129 G HN 1.147 nan 8.290 nan 0.000 0.552 130 V N 1.516 121.505 119.914 0.125 0.000 2.439 130 V HA 0.504 4.628 4.120 0.007 0.000 0.282 130 V C -2.034 174.139 176.094 0.131 0.000 1.039 130 V CA -1.499 60.897 62.300 0.160 0.000 0.913 130 V CB 1.747 33.694 31.823 0.207 0.000 0.983 130 V HN 0.554 nan 8.190 nan 0.000 0.460 131 P HA 0.186 nan 4.420 nan 0.000 0.271 131 P C -0.570 176.805 177.300 0.125 0.000 1.233 131 P CA -0.087 63.100 63.100 0.145 0.000 0.764 131 P CB 0.199 31.996 31.700 0.162 0.000 0.825 132 I N 4.332 124.987 120.570 0.141 0.000 2.352 132 I HA 0.240 4.415 4.170 0.007 0.000 0.290 132 I C 0.944 177.143 176.117 0.137 0.000 1.036 132 I CA 0.429 61.824 61.300 0.158 0.000 1.336 132 I CB 0.246 38.382 38.000 0.226 0.000 1.407 132 I HN 0.379 nan 8.210 nan 0.000 0.497 133 T N 3.032 117.641 114.554 0.093 0.000 2.900 133 T HA 0.371 4.726 4.350 0.007 0.000 0.303 133 T C 0.846 175.582 174.700 0.061 0.000 1.142 133 T CA -0.891 61.240 62.100 0.052 0.000 1.007 133 T CB 2.269 71.127 68.868 -0.017 0.000 1.156 133 T HN 0.630 nan 8.240 nan 0.000 0.490 134 R N 0.863 121.403 120.500 0.067 0.000 2.159 134 R HA -0.124 4.220 4.340 0.007 0.000 0.237 134 R C 2.042 178.420 176.300 0.129 0.000 1.131 134 R CA 1.779 57.952 56.100 0.121 0.000 0.982 134 R CB -0.213 30.154 30.300 0.113 0.000 0.868 134 R HN 0.787 nan 8.270 nan 0.000 0.453 135 K N 0.240 120.654 120.400 0.023 0.000 2.001 135 K HA -0.204 4.120 4.320 0.007 0.000 0.208 135 K C 2.269 178.813 176.600 -0.093 0.000 1.048 135 K CA 1.628 57.947 56.287 0.053 0.000 0.932 135 K CB -0.168 32.301 32.500 -0.051 0.000 0.715 135 K HN 0.101 nan 8.250 nan 0.000 0.437 136 Q N 1.000 120.636 119.800 -0.274 0.000 2.084 136 Q HA -0.125 4.219 4.340 0.007 0.000 0.202 136 Q C 1.974 177.856 176.000 -0.196 0.000 0.978 136 Q CA 1.798 57.262 55.803 -0.564 0.000 0.844 136 Q CB -0.305 28.081 28.738 -0.585 0.000 0.898 136 Q HN 0.265 nan 8.270 nan 0.000 0.426 137 V N 1.614 121.532 119.914 0.006 0.000 2.332 137 V HA -0.253 3.871 4.120 0.007 0.000 0.248 137 V C 2.725 178.830 176.094 0.018 0.000 1.055 137 V CA 2.172 64.543 62.300 0.119 0.000 1.038 137 V CB -0.631 31.336 31.823 0.240 0.000 0.651 137 V HN 0.335 nan 8.190 nan 0.000 0.450 138 R N -0.258 120.276 120.500 0.056 0.000 2.066 138 R HA -0.115 4.229 4.340 0.007 0.000 0.232 138 R C 2.509 178.680 176.300 -0.215 0.000 1.131 138 R CA 1.454 57.581 56.100 0.045 0.000 0.955 138 R CB -0.672 29.743 30.300 0.193 0.000 0.851 138 R HN 0.531 nan 8.270 nan 0.000 0.432 139 A N 1.337 124.084 122.820 -0.121 0.000 1.869 139 A HA -0.289 4.036 4.320 0.007 0.000 0.218 139 A C 2.081 179.589 177.584 -0.126 0.000 1.203 139 A CA 1.716 53.711 52.037 -0.070 0.000 0.638 139 A CB -0.695 18.412 19.000 0.177 0.000 0.831 139 A HN 0.394 nan 8.150 nan 0.000 0.450 140 Q N -1.813 117.919 119.800 -0.113 0.000 2.119 140 Q HA -0.168 4.176 4.340 0.007 0.000 0.201 140 Q C 2.329 178.077 176.000 -0.419 0.000 0.972 140 Q CA 1.501 57.186 55.803 -0.197 0.000 0.847 140 Q CB -0.124 28.525 28.738 -0.148 0.000 0.903 140 Q HN 0.540 nan 8.270 nan 0.000 0.433 141 R N 1.398 121.602 120.500 -0.493 0.000 2.153 141 R HA -0.050 4.294 4.340 0.007 0.000 0.218 141 R C 1.817 177.944 176.300 -0.289 0.000 1.072 141 R CA 1.296 57.151 56.100 -0.408 0.000 0.990 141 R CB -0.024 30.147 30.300 -0.214 0.000 0.889 141 R HN 0.054 nan 8.270 nan 0.000 0.452 142 K N -0.496 119.587 120.400 -0.529 0.000 2.031 142 K HA 0.007 4.332 4.320 0.007 0.000 0.205 142 K C 1.848 178.294 176.600 -0.255 0.000 1.049 142 K CA 1.205 57.127 56.287 -0.607 0.000 0.939 142 K CB -0.237 31.707 32.500 -0.927 0.000 0.717 142 K HN 0.169 nan 8.250 nan 0.000 0.438 143 A N 1.348 124.048 122.820 -0.200 0.000 1.917 143 A HA -0.168 4.156 4.320 0.007 0.000 0.219 143 A C 2.082 179.625 177.584 -0.068 0.000 1.182 143 A CA 1.525 53.503 52.037 -0.097 0.000 0.633 143 A CB -0.655 18.312 19.000 -0.056 0.000 0.819 143 A HN 0.356 nan 8.150 nan 0.000 0.448 144 L N -0.942 120.223 121.223 -0.097 0.000 2.240 144 L HA -0.097 4.247 4.340 0.007 0.000 0.211 144 L C 1.875 178.724 176.870 -0.035 0.000 1.106 144 L CA 0.757 55.565 54.840 -0.053 0.000 0.793 144 L CB -0.507 41.509 42.059 -0.073 0.000 0.927 144 L HN 0.263 nan 8.230 nan 0.000 0.446 145 D N 0.417 120.795 120.400 -0.037 0.000 2.123 145 D HA -0.187 4.458 4.640 0.007 0.000 0.196 145 D C 2.310 178.609 176.300 -0.002 0.000 0.992 145 D CA 1.298 55.297 54.000 -0.001 0.000 0.833 145 D CB -0.085 40.742 40.800 0.045 0.000 0.954 145 D HN 0.242 nan 8.370 nan 0.000 0.455 146 L N 0.248 121.467 121.223 -0.006 0.000 1.973 146 L HA -0.101 4.243 4.340 0.007 0.000 0.208 146 L C 2.598 179.479 176.870 0.019 0.000 1.073 146 L CA 0.672 55.516 54.840 0.007 0.000 0.746 146 L CB -0.437 41.624 42.059 0.003 0.000 0.891 146 L HN -0.009 nan 8.230 nan 0.000 0.433 147 I N 0.418 121.006 120.570 0.030 0.000 2.143 147 I HA -0.393 3.782 4.170 0.007 0.000 0.245 147 I C 2.679 178.803 176.117 0.013 0.000 1.068 147 I CA 2.191 63.524 61.300 0.056 0.000 1.326 147 I CB -0.486 37.554 38.000 0.066 0.000 1.028 147 I HN 0.484 nan 8.210 nan 0.000 0.412 148 E N 0.959 121.153 120.200 -0.011 0.000 2.208 148 E HA -0.248 4.106 4.350 0.007 0.000 0.193 148 E C 1.978 178.545 176.600 -0.055 0.000 0.988 148 E CA 1.045 57.421 56.400 -0.041 0.000 0.828 148 E CB -0.315 29.359 29.700 -0.045 0.000 0.763 148 E HN 0.552 nan 8.360 nan 0.000 0.478 149 E N 0.958 121.138 120.200 -0.034 0.000 2.072 149 E HA -0.244 4.111 4.350 0.007 0.000 0.191 149 E C 2.052 178.623 176.600 -0.048 0.000 0.985 149 E CA 1.296 57.676 56.400 -0.034 0.000 0.801 149 E CB 0.059 29.752 29.700 -0.012 0.000 0.750 149 E HN 0.427 nan 8.360 nan 0.000 0.452 150 E N -0.019 120.161 120.200 -0.033 0.000 2.051 150 E HA -0.170 4.184 4.350 0.007 0.000 0.192 150 E C 2.144 178.635 176.600 -0.181 0.000 0.991 150 E CA 1.743 58.122 56.400 -0.036 0.000 0.799 150 E CB 0.094 29.847 29.700 0.087 0.000 0.748 150 E HN 0.250 nan 8.360 nan 0.000 0.449 151 V N -2.689 117.076 119.914 -0.248 0.000 3.129 151 V HA 0.292 4.416 4.120 0.007 0.000 0.259 151 V C 1.369 177.310 176.094 -0.256 0.000 1.116 151 V CA 0.978 63.039 62.300 -0.399 0.000 1.127 151 V CB -0.124 31.456 31.823 -0.406 0.000 0.742 151 V HN 0.419 nan 8.190 nan 0.000 0.474 152 G N 0.250 108.950 108.800 -0.167 0.000 2.132 152 G HA2 -0.234 3.730 3.960 0.007 0.000 0.228 152 G HA3 -0.234 3.730 3.960 0.007 0.000 0.228 152 G C 0.103 174.937 174.900 -0.109 0.000 1.000 152 G CA 0.350 45.374 45.100 -0.125 0.000 0.693 152 G HN 0.926 nan 8.290 nan 0.000 0.515 153 R N -0.132 120.302 120.500 -0.110 0.000 2.604 153 R HA 0.479 4.823 4.340 0.007 0.000 0.270 153 R C -3.020 173.218 176.300 -0.103 0.000 1.052 153 R CA -1.683 54.356 56.100 -0.101 0.000 0.902 153 R CB 2.079 32.316 30.300 -0.104 0.000 1.233 153 R HN -0.004 nan 8.270 nan 0.000 0.455 154 P HA 0.165 nan 4.420 nan 0.000 0.268 154 P C -0.455 176.749 177.300 -0.161 0.000 1.204 154 P CA 0.204 63.224 63.100 -0.133 0.000 0.768 154 P CB 0.496 32.099 31.700 -0.161 0.000 0.842 155 I N 3.317 123.809 120.570 -0.130 0.000 2.355 155 I HA 0.190 4.365 4.170 0.007 0.000 0.288 155 I C 0.525 176.566 176.117 -0.126 0.000 0.999 155 I CA -0.748 60.486 61.300 -0.111 0.000 1.163 155 I CB 0.826 38.808 38.000 -0.030 0.000 1.316 155 I HN 0.163 nan 8.210 nan 0.000 0.454 156 N N 5.550 124.098 118.700 -0.253 0.000 2.468 156 N HA 0.034 4.778 4.740 0.007 0.000 0.265 156 N C -0.796 174.802 175.510 0.146 0.000 1.199 156 N CA 0.183 53.089 53.050 -0.240 0.000 0.928 156 N CB 0.942 38.931 38.487 -0.831 0.000 1.059 156 N HN 0.411 nan 8.380 nan 0.000 0.467 157 Y N 1.665 121.993 120.300 0.048 0.000 2.387 157 Y HA 0.335 4.889 4.550 0.007 0.000 0.330 157 Y C -0.473 175.528 175.900 0.168 0.000 1.133 157 Y CA -0.644 57.516 58.100 0.100 0.000 1.152 157 Y CB 0.866 39.336 38.460 0.018 0.000 1.215 157 Y HN 0.609 nan 8.280 nan 0.000 0.466 158 H N 2.450 121.206 119.070 -0.522 0.000 3.087 158 H HA 0.500 5.061 4.556 0.007 0.000 0.348 158 H C -1.370 173.647 175.328 -0.518 0.000 1.092 158 H CA -0.189 55.658 56.048 -0.334 0.000 1.285 158 H CB 1.481 31.298 29.762 0.093 0.000 1.875 158 H HN 0.718 nan 8.280 nan 0.000 0.512 159 S N 2.645 118.071 115.700 -0.457 0.000 3.144 159 S HA 0.488 4.963 4.470 0.007 0.000 0.325 159 S C -1.756 172.787 174.600 -0.095 0.000 1.161 159 S CA -0.542 57.577 58.200 -0.136 0.000 0.920 159 S CB 0.643 63.831 63.200 -0.021 0.000 1.340 159 S HN 0.476 nan 8.310 nan 0.000 0.681 160 Y N 0.598 121.024 120.300 0.210 0.000 2.352 160 Y HA 0.487 5.042 4.550 0.007 0.000 0.339 160 Y C 0.712 176.665 175.900 0.089 0.000 0.992 160 Y CA -0.539 57.626 58.100 0.107 0.000 1.100 160 Y CB 1.737 40.146 38.460 -0.085 0.000 1.192 160 Y HN 0.288 nan 8.280 nan 0.000 0.458 161 V N 1.341 121.344 119.914 0.149 0.000 3.647 161 V HA -0.019 4.106 4.120 0.007 0.000 0.279 161 V C 0.518 176.609 176.094 -0.006 0.000 1.314 161 V CA 0.178 62.465 62.300 -0.022 0.000 1.125 161 V CB -0.485 31.314 31.823 -0.041 0.000 0.907 161 V HN 0.744 nan 8.190 nan 0.000 0.434 162 S N 0.707 116.436 115.700 0.049 0.000 2.560 162 S HA 0.468 4.942 4.470 0.007 0.000 0.276 162 S C 0.695 175.312 174.600 0.027 0.000 1.350 162 S CA 0.696 58.928 58.200 0.052 0.000 1.024 162 S CB 0.642 63.845 63.200 0.005 0.000 0.864 162 S HN 0.980 nan 8.310 nan 0.000 0.536 163 G N -0.567 108.261 108.800 0.047 0.000 2.409 163 G HA2 -0.104 3.860 3.960 0.007 0.000 0.421 163 G HA3 -0.104 3.860 3.960 0.007 0.000 0.421 163 G C 0.292 175.193 174.900 0.002 0.000 1.259 163 G CA -0.312 44.785 45.100 -0.005 0.000 1.011 163 G HN 1.439 nan 8.290 nan 0.000 0.497 164 V N -2.802 117.126 119.914 0.023 0.000 3.461 164 V HA 0.546 4.670 4.120 0.007 0.000 0.267 164 V C 1.906 178.025 176.094 0.042 0.000 1.186 164 V CA 2.222 64.549 62.300 0.045 0.000 1.154 164 V CB 0.043 31.917 31.823 0.085 0.000 0.802 164 V HN 2.274 nan 8.190 nan 0.000 0.474 165 A N 0.444 123.281 122.820 0.029 0.000 2.631 165 A HA 0.667 4.991 4.320 0.007 0.000 0.294 165 A C 1.776 179.349 177.584 -0.019 0.000 1.156 165 A CA 0.416 52.466 52.037 0.021 0.000 0.963 165 A CB -0.324 18.701 19.000 0.040 0.000 1.202 165 A HN 0.467 nan 8.150 nan 0.000 0.523 166 G N 1.683 110.468 108.800 -0.024 0.000 2.514 166 G HA2 -0.195 3.769 3.960 0.007 0.000 0.217 166 G HA3 -0.195 3.769 3.960 0.007 0.000 0.217 166 G C -0.326 174.539 174.900 -0.058 0.000 1.198 166 G CA 1.557 46.625 45.100 -0.052 0.000 0.780 166 G HN 0.460 nan 8.290 nan 0.000 0.565 167 P HA -0.001 nan 4.420 nan 0.000 0.217 167 P C 0.933 178.220 177.300 -0.021 0.000 1.150 167 P CA 1.466 64.561 63.100 -0.007 0.000 0.832 167 P CB -0.028 31.690 31.700 0.030 0.000 0.787 168 D N -0.545 119.843 120.400 -0.021 0.000 2.087 168 D HA -0.161 4.484 4.640 0.007 0.000 0.192 168 D C 1.871 178.125 176.300 -0.076 0.000 0.993 168 D CA 1.148 55.132 54.000 -0.026 0.000 0.828 168 D CB -0.928 39.866 40.800 -0.010 0.000 0.968 168 D HN 0.151 nan 8.370 nan 0.000 0.448 169 I N 0.789 121.269 120.570 -0.150 0.000 2.226 169 I HA -0.250 3.924 4.170 0.007 0.000 0.245 169 I C 2.374 178.230 176.117 -0.434 0.000 1.100 169 I CA 0.989 62.082 61.300 -0.345 0.000 1.374 169 I CB -0.254 37.469 38.000 -0.462 0.000 1.057 169 I HN -0.022 nan 8.210 nan 0.000 0.413 170 A N 0.305 122.973 122.820 -0.254 0.000 1.933 170 A HA -0.141 4.183 4.320 0.007 0.000 0.218 170 A C 2.451 180.045 177.584 0.017 0.000 1.175 170 A CA 1.585 53.557 52.037 -0.108 0.000 0.628 170 A CB -0.881 18.102 19.000 -0.028 0.000 0.814 170 A HN 0.237 nan 8.150 nan 0.000 0.444 171 V N -0.167 119.744 119.914 -0.005 0.000 2.261 171 V HA -0.314 3.810 4.120 0.007 0.000 0.246 171 V C 2.597 178.735 176.094 0.074 0.000 1.047 171 V CA 2.225 64.537 62.300 0.020 0.000 1.015 171 V CB -0.618 31.203 31.823 -0.004 0.000 0.642 171 V HN 0.676 nan 8.190 nan 0.000 0.446 172 M N -0.887 118.753 119.600 0.066 0.000 2.080 172 M HA -0.187 4.297 4.480 0.007 0.000 0.260 172 M C 2.252 178.734 176.300 0.304 0.000 1.068 172 M CA 2.213 57.600 55.300 0.145 0.000 1.109 172 M CB -0.604 32.062 32.600 0.111 0.000 1.342 172 M HN 0.323 nan 8.290 nan 0.000 0.405 173 F N 0.715 120.723 119.950 0.096 0.000 2.091 173 F HA -0.188 4.343 4.527 0.007 0.000 0.299 173 F C 2.802 178.685 175.800 0.138 0.000 1.103 173 F CA 1.381 59.449 58.000 0.115 0.000 1.228 173 F CB -1.771 37.277 39.000 0.080 0.000 0.984 173 F HN 0.256 nan 8.300 nan 0.000 0.477 174 A N -0.350 122.676 122.820 0.342 0.000 1.898 174 A HA -0.187 4.137 4.320 0.007 0.000 0.216 174 A C 2.165 179.923 177.584 0.290 0.000 1.181 174 A CA 1.620 53.851 52.037 0.323 0.000 0.620 174 A CB -0.793 18.378 19.000 0.284 0.000 0.819 174 A HN 0.414 nan 8.150 nan 0.000 0.442 175 E N -0.093 120.229 120.200 0.205 0.000 2.058 175 E HA -0.155 4.200 4.350 0.007 0.000 0.194 175 E C 1.065 177.764 176.600 0.166 0.000 0.997 175 E CA 1.267 57.764 56.400 0.161 0.000 0.801 175 E CB -0.053 29.716 29.700 0.116 0.000 0.746 175 E HN 0.531 nan 8.360 nan 0.000 0.450 176 E N -0.448 119.871 120.200 0.197 0.000 2.403 176 E HA 0.091 4.445 4.350 0.007 0.000 0.188 176 E C 0.574 177.279 176.600 0.175 0.000 1.056 176 E CA 0.419 56.931 56.400 0.188 0.000 0.892 176 E CB 0.738 30.577 29.700 0.231 0.000 1.049 176 E HN 0.366 nan 8.360 nan 0.000 0.465 177 G N 1.376 110.275 108.800 0.164 0.000 2.221 177 G HA2 -0.296 3.669 3.960 0.007 0.000 0.265 177 G HA3 -0.296 3.669 3.960 0.007 0.000 0.265 177 G C 0.448 175.424 174.900 0.127 0.000 1.041 177 G CA 0.331 45.509 45.100 0.130 0.000 0.807 177 G HN 0.208 nan 8.290 nan 0.000 0.502 178 V N -0.079 119.904 119.914 0.113 0.000 2.585 178 V HA 0.135 4.259 4.120 0.007 0.000 0.296 178 V C 1.456 177.572 176.094 0.038 0.000 1.035 178 V CA 0.966 63.276 62.300 0.017 0.000 1.084 178 V CB 1.152 32.736 31.823 -0.398 0.000 0.953 178 V HN 0.499 nan 8.190 nan 0.000 0.483 179 N N 2.256 121.003 118.700 0.079 0.000 2.409 179 N HA 0.244 4.988 4.740 0.007 0.000 0.174 179 N C 0.539 176.204 175.510 0.259 0.000 1.037 179 N CA 0.673 53.813 53.050 0.150 0.000 0.898 179 N CB 0.361 38.911 38.487 0.105 0.000 1.010 179 N HN 0.791 nan 8.380 nan 0.000 0.445 180 G N -0.906 107.977 108.800 0.138 0.000 2.706 180 G HA2 0.781 4.745 3.960 0.007 0.000 0.297 180 G HA3 0.781 4.745 3.960 0.007 0.000 0.297 180 G C -1.770 172.701 174.900 -0.715 0.000 1.403 180 G CA -0.424 44.651 45.100 -0.042 0.000 0.954 180 G HN 0.198 nan 8.290 nan 0.000 0.500 181 A N 0.978 123.402 122.820 -0.659 0.000 2.587 181 A HA 0.754 5.078 4.320 0.007 0.000 0.293 181 A C -1.389 176.022 177.584 -0.288 0.000 1.087 181 A CA -0.803 50.842 52.037 -0.653 0.000 0.692 181 A CB 1.191 20.159 19.000 -0.053 0.000 1.291 181 A HN 0.790 nan 8.150 nan 0.000 0.407 182 H N 1.324 120.241 119.070 -0.254 0.000 2.742 182 H HA 0.563 5.123 4.556 0.007 0.000 0.302 182 H C -0.183 175.119 175.328 -0.043 0.000 1.069 182 H CA 0.778 56.770 56.048 -0.093 0.000 1.446 182 H CB 0.882 30.560 29.762 -0.141 0.000 1.462 182 H HN 0.453 nan 8.280 nan 0.000 0.499 183 Q N 2.829 122.663 119.800 0.056 0.000 2.268 183 Q HA 0.243 4.587 4.340 0.007 0.000 0.266 183 Q C -1.815 174.188 176.000 0.005 0.000 1.006 183 Q CA -0.619 55.204 55.803 0.034 0.000 0.824 183 Q CB 2.279 31.026 28.738 0.015 0.000 1.306 183 Q HN 0.751 nan 8.270 nan 0.000 0.424 184 D N 5.145 125.538 120.400 -0.013 0.000 2.548 184 D HA 0.208 4.853 4.640 0.007 0.000 0.214 184 D C -2.077 174.134 176.300 -0.148 0.000 1.345 184 D CA -1.206 52.754 54.000 -0.066 0.000 0.945 184 D CB 1.944 42.749 40.800 0.009 0.000 1.499 184 D HN 0.185 nan 8.370 nan 0.000 0.579 185 P HA -0.155 nan 4.420 nan 0.000 0.219 185 P C 1.071 178.050 177.300 -0.536 0.000 1.146 185 P CA 1.073 63.748 63.100 -0.708 0.000 0.808 185 P CB 0.613 31.342 31.700 -1.619 0.000 0.779 186 Q N -1.322 118.286 119.800 -0.320 0.000 2.119 186 Q HA -0.198 4.146 4.340 0.007 0.000 0.201 186 Q C 2.279 178.243 176.000 -0.060 0.000 0.972 186 Q CA 1.167 56.900 55.803 -0.117 0.000 0.847 186 Q CB -0.860 27.817 28.738 -0.102 0.000 0.903 186 Q HN 0.232 nan 8.270 nan 0.000 0.433 187 Y N 2.582 122.861 120.300 -0.035 0.000 2.040 187 Y HA -0.351 4.203 4.550 0.007 0.000 0.275 187 Y C 1.806 177.724 175.900 0.030 0.000 1.171 187 Y CA 2.034 60.207 58.100 0.122 0.000 1.123 187 Y CB -0.364 38.133 38.460 0.062 0.000 0.963 187 Y HN 0.134 nan 8.280 nan 0.000 0.493 188 N N -0.100 118.545 118.700 -0.092 0.000 2.104 188 N HA -0.179 4.566 4.740 0.007 0.000 0.190 188 N C 1.950 177.327 175.510 -0.221 0.000 1.024 188 N CA 1.846 54.794 53.050 -0.169 0.000 0.853 188 N CB -0.755 37.683 38.487 -0.081 0.000 1.008 188 N HN 0.367 nan 8.380 nan 0.000 0.424 189 V N 1.588 121.389 119.914 -0.187 0.000 2.255 189 V HA -0.097 4.028 4.120 0.007 0.000 0.243 189 V C 2.482 178.409 176.094 -0.278 0.000 1.038 189 V CA 1.110 63.319 62.300 -0.152 0.000 1.008 189 V CB -0.591 31.224 31.823 -0.013 0.000 0.645 189 V HN 0.166 nan 8.190 nan 0.000 0.449 190 L N -1.336 119.613 121.223 -0.456 0.000 2.027 190 L HA -0.161 4.183 4.340 0.007 0.000 0.206 190 L C 2.426 178.807 176.870 -0.815 0.000 1.074 190 L CA 1.934 56.308 54.840 -0.776 0.000 0.745 190 L CB -0.464 40.826 42.059 -1.281 0.000 0.898 190 L HN 0.387 nan 8.230 nan 0.000 0.433 191 Y N -2.002 118.086 120.300 -0.353 0.000 2.498 191 Y HA 0.161 4.716 4.550 0.007 0.000 0.259 191 Y C 2.040 177.715 175.900 -0.375 0.000 1.086 191 Y CA -0.169 57.704 58.100 -0.378 0.000 1.287 191 Y CB 0.228 38.405 38.460 -0.472 0.000 1.146 191 Y HN -0.084 nan 8.280 nan 0.000 0.523 192 R N 0.486 120.786 120.500 -0.334 0.000 2.472 192 R HA 0.122 4.467 4.340 0.007 0.000 0.279 192 R C -0.071 176.199 176.300 -0.049 0.000 0.953 192 R CA -0.193 55.794 56.100 -0.189 0.000 1.088 192 R CB -0.743 29.374 30.300 -0.305 0.000 1.197 192 R HN 0.225 nan 8.270 nan 0.000 0.536 193 N N 1.278 119.916 118.700 -0.103 0.000 2.699 193 N HA -0.215 4.529 4.740 0.007 0.000 0.256 193 N C -0.966 174.531 175.510 -0.022 0.000 0.993 193 N CA 0.395 53.407 53.050 -0.064 0.000 0.759 193 N CB -1.250 37.216 38.487 -0.036 0.000 0.906 193 N HN 0.303 nan 8.380 nan 0.000 0.541 194 I N 0.380 120.925 120.570 -0.042 0.000 2.488 194 I HA 0.153 4.327 4.170 0.007 0.000 0.299 194 I C 1.126 177.221 176.117 -0.037 0.000 0.984 194 I CA -0.841 60.450 61.300 -0.015 0.000 1.250 194 I CB 1.064 39.056 38.000 -0.014 0.000 1.389 194 I HN 0.276 nan 8.210 nan 0.000 0.488 195 N N 6.301 124.982 118.700 -0.032 0.000 2.411 195 N HA -0.024 4.720 4.740 0.007 0.000 0.261 195 N C 1.090 176.573 175.510 -0.044 0.000 1.248 195 N CA -0.043 52.972 53.050 -0.059 0.000 0.885 195 N CB 0.843 39.294 38.487 -0.060 0.000 1.062 195 N HN 0.723 nan 8.380 nan 0.000 0.471 196 M N 3.938 123.482 119.600 -0.092 0.000 2.159 196 M HA -0.150 4.335 4.480 0.007 0.000 0.263 196 M C 1.276 177.639 176.300 0.104 0.000 1.063 196 M CA 1.566 56.875 55.300 0.016 0.000 1.110 196 M CB -0.277 32.232 32.600 -0.152 0.000 1.374 196 M HN 0.475 nan 8.290 nan 0.000 0.411 197 I N 0.534 121.026 120.570 -0.130 0.000 2.252 197 I HA -0.199 3.975 4.170 0.007 0.000 0.245 197 I C 2.829 179.038 176.117 0.152 0.000 1.102 197 I CA 1.309 62.645 61.300 0.060 0.000 1.385 197 I CB -0.556 37.413 38.000 -0.051 0.000 1.064 197 I HN 0.334 nan 8.210 nan 0.000 0.414 198 R N 1.020 121.559 120.500 0.065 0.000 2.081 198 R HA -0.158 4.186 4.340 0.007 0.000 0.235 198 R C 2.375 178.715 176.300 0.066 0.000 1.131 198 R CA 2.076 58.214 56.100 0.063 0.000 0.960 198 R CB -0.799 29.517 30.300 0.026 0.000 0.856 198 R HN 0.211 nan 8.270 nan 0.000 0.436 199 S N -1.016 114.715 115.700 0.052 0.000 2.368 199 S HA -0.067 4.407 4.470 0.007 0.000 0.225 199 S C 1.579 176.057 174.600 -0.203 0.000 1.030 199 S CA 1.217 59.363 58.200 -0.090 0.000 0.999 199 S CB -0.309 62.787 63.200 -0.174 0.000 0.844 199 S HN 0.409 nan 8.310 nan 0.000 0.459 200 F N 1.173 121.129 119.950 0.010 0.000 2.293 200 F HA 0.238 4.769 4.527 0.007 0.000 0.297 200 F C 1.966 177.820 175.800 0.089 0.000 1.089 200 F CA 0.434 58.423 58.000 -0.018 0.000 1.377 200 F CB -0.372 38.620 39.000 -0.013 0.000 1.051 200 F HN 0.197 nan 8.300 nan 0.000 0.511 201 I N 0.044 120.763 120.570 0.248 0.000 2.142 201 I HA -0.289 3.885 4.170 0.007 0.000 0.240 201 I C 1.987 178.165 176.117 0.101 0.000 1.078 201 I CA 1.421 62.830 61.300 0.180 0.000 1.343 201 I CB -0.519 37.581 38.000 0.166 0.000 1.046 201 I HN -0.016 nan 8.210 nan 0.000 0.405 202 D N 1.198 121.638 120.400 0.068 0.000 2.133 202 D HA -0.215 4.430 4.640 0.007 0.000 0.195 202 D C 2.188 178.486 176.300 -0.004 0.000 0.997 202 D CA 1.714 55.732 54.000 0.030 0.000 0.840 202 D CB -0.293 40.514 40.800 0.012 0.000 0.947 202 D HN 0.397 nan 8.370 nan 0.000 0.452 203 A N -0.053 122.751 122.820 -0.027 0.000 2.015 203 A HA -0.148 4.176 4.320 0.007 0.000 0.219 203 A C 2.432 180.029 177.584 0.021 0.000 1.163 203 A CA 1.015 53.034 52.037 -0.029 0.000 0.646 203 A CB -0.776 18.131 19.000 -0.154 0.000 0.806 203 A HN 0.357 nan 8.150 nan 0.000 0.448 204 C N -1.012 118.262 119.300 -0.043 0.000 2.429 204 C HA -0.072 4.393 4.460 0.007 0.000 0.277 204 C C 2.686 177.488 174.990 -0.313 0.000 1.262 204 C CA 1.418 60.165 59.018 -0.452 0.000 1.733 204 C CB -0.903 26.347 27.740 -0.816 0.000 2.010 204 C HN 0.762 nan 8.230 nan 0.000 0.483 205 E N 1.350 121.486 120.200 -0.107 0.000 2.028 205 E HA -0.123 4.231 4.350 0.007 0.000 0.191 205 E C 2.292 178.890 176.600 -0.002 0.000 0.988 205 E CA 1.782 58.169 56.400 -0.022 0.000 0.799 205 E CB -0.357 29.351 29.700 0.013 0.000 0.755 205 E HN 0.489 nan 8.360 nan 0.000 0.447 206 S N 0.411 116.107 115.700 -0.008 0.000 2.359 206 S HA -0.185 4.289 4.470 0.007 0.000 0.223 206 S C 1.808 176.419 174.600 0.020 0.000 1.039 206 S CA 1.626 59.827 58.200 0.002 0.000 1.042 206 S CB -0.283 62.909 63.200 -0.014 0.000 0.915 206 S HN 0.260 nan 8.310 nan 0.000 0.439 207 K N 0.323 120.726 120.400 0.006 0.000 2.211 207 K HA -0.015 4.309 4.320 0.007 0.000 0.203 207 K C 2.177 178.802 176.600 0.041 0.000 1.050 207 K CA 1.299 57.599 56.287 0.023 0.000 0.945 207 K CB -0.323 32.188 32.500 0.018 0.000 0.732 207 K HN 0.306 nan 8.250 nan 0.000 0.451 208 T N 1.752 116.327 114.554 0.035 0.000 2.812 208 T HA -0.031 4.324 4.350 0.007 0.000 0.264 208 T C 1.892 176.684 174.700 0.154 0.000 1.042 208 T CA 0.875 63.039 62.100 0.107 0.000 1.140 208 T CB -0.108 68.850 68.868 0.151 0.000 0.870 208 T HN 0.135 nan 8.240 nan 0.000 0.445 209 I N 0.783 121.427 120.570 0.122 0.000 2.286 209 I HA -0.184 3.990 4.170 0.007 0.000 0.248 209 I C 2.462 178.719 176.117 0.234 0.000 1.115 209 I CA 1.412 62.800 61.300 0.146 0.000 1.392 209 I CB -0.401 37.647 38.000 0.080 0.000 1.065 209 I HN 0.251 nan 8.210 nan 0.000 0.418 210 M N 0.174 119.877 119.600 0.172 0.000 2.200 210 M HA -0.095 4.389 4.480 0.007 0.000 0.265 210 M C 2.526 178.923 176.300 0.161 0.000 1.066 210 M CA 1.599 56.998 55.300 0.165 0.000 1.127 210 M CB -0.346 32.315 32.600 0.103 0.000 1.379 210 M HN 0.290 nan 8.290 nan 0.000 0.420 211 A N -0.426 122.487 122.820 0.155 0.000 1.898 211 A HA -0.216 4.108 4.320 0.007 0.000 0.216 211 A C 1.861 179.541 177.584 0.160 0.000 1.181 211 A CA 1.261 53.377 52.037 0.130 0.000 0.620 211 A CB -1.211 17.861 19.000 0.120 0.000 0.819 211 A HN 0.767 nan 8.150 nan 0.000 0.442 212 W N 0.755 122.089 121.300 0.056 0.000 2.338 212 W HA -0.133 4.531 4.660 0.007 0.000 0.304 212 W C 2.123 178.676 176.519 0.056 0.000 1.212 212 W CA 2.144 59.523 57.345 0.056 0.000 1.264 212 W CB -0.026 29.470 29.460 0.061 0.000 1.142 212 W HN 0.308 nan 8.180 nan 0.000 0.512 213 A N 0.106 123.108 122.820 0.304 0.000 2.235 213 A HA -0.014 4.311 4.320 0.007 0.000 0.208 213 A C 0.687 178.249 177.584 -0.036 0.000 1.172 213 A CA 1.196 53.306 52.037 0.123 0.000 0.786 213 A CB -0.897 18.300 19.000 0.329 0.000 0.804 213 A HN 0.424 nan 8.150 nan 0.000 0.479 214 D N -1.714 118.662 120.400 -0.041 0.000 2.689 214 D HA -0.161 4.483 4.640 0.007 0.000 0.237 214 D C -0.120 176.205 176.300 0.042 0.000 1.148 214 D CA 0.886 54.879 54.000 -0.012 0.000 0.656 214 D CB -1.526 39.244 40.800 -0.050 0.000 1.050 214 D HN 0.547 nan 8.370 nan 0.000 0.426 215 M N 0.390 120.019 119.600 0.050 0.000 2.277 215 M HA 0.546 5.030 4.480 0.007 0.000 0.350 215 M C 0.788 177.047 176.300 -0.067 0.000 1.180 215 M CA -0.434 54.885 55.300 0.033 0.000 1.103 215 M CB 1.629 34.260 32.600 0.051 0.000 1.577 215 M HN 0.227 nan 8.290 nan 0.000 0.459 216 A N 2.589 125.272 122.820 -0.228 0.000 2.340 216 A HA 0.369 4.694 4.320 0.007 0.000 0.268 216 A C -0.634 176.752 177.584 -0.329 0.000 1.100 216 A CA -0.384 51.355 52.037 -0.496 0.000 0.803 216 A CB 0.649 18.770 19.000 -1.465 0.000 1.043 216 A HN 0.797 nan 8.150 nan 0.000 0.488 217 Q N 1.651 121.309 119.800 -0.235 0.000 2.325 217 Q HA 0.579 4.923 4.340 0.007 0.000 0.270 217 Q C -1.577 174.327 176.000 -0.159 0.000 1.020 217 Q CA -0.382 55.332 55.803 -0.149 0.000 0.785 217 Q CB 1.065 29.768 28.738 -0.058 0.000 1.259 217 Q HN 0.721 nan 8.270 nan 0.000 0.452 218 I N 4.106 124.550 120.570 -0.211 0.000 2.331 218 I HA 0.173 4.347 4.170 0.007 0.000 0.292 218 I C 0.208 176.210 176.117 -0.192 0.000 0.998 218 I CA -0.787 60.345 61.300 -0.279 0.000 1.267 218 I CB 1.143 38.799 38.000 -0.573 0.000 1.386 218 I HN 0.730 nan 8.210 nan 0.000 0.476 224 A N 1.510 124.226 122.820 -0.173 0.000 1.948 224 A HA -0.153 4.171 4.320 0.007 0.000 0.220 224 A C 2.137 179.614 177.584 -0.179 0.000 1.177 224 A CA 2.221 54.094 52.037 -0.273 0.000 0.636 224 A CB -0.964 17.574 19.000 -0.770 0.000 0.815 224 A HN 0.791 nan 8.150 nan 0.000 0.449 225 H N -0.324 118.734 119.070 -0.020 0.000 2.460 225 H HA -0.127 4.433 4.556 0.007 0.000 0.297 225 H C 1.424 176.703 175.328 -0.081 0.000 1.103 225 H CA 1.349 57.391 56.048 -0.009 0.000 1.292 225 H CB -0.799 28.978 29.762 0.024 0.000 1.376 225 H HN 0.511 nan 8.280 nan 0.000 0.531 226 N N 1.367 119.726 118.700 -0.569 0.000 2.223 226 N HA -0.056 4.688 4.740 0.007 0.000 0.185 226 N C 2.148 177.418 175.510 -0.401 0.000 1.016 226 N CA 1.244 53.934 53.050 -0.600 0.000 0.863 226 N CB -0.162 37.627 38.487 -1.163 0.000 0.983 226 N HN 0.528 nan 8.380 nan 0.000 0.429 227 A N 1.559 124.267 122.820 -0.187 0.000 1.972 227 A HA -0.162 4.162 4.320 0.007 0.000 0.219 227 A C 1.999 179.580 177.584 -0.004 0.000 1.169 227 A CA 1.425 53.472 52.037 0.016 0.000 0.635 227 A CB -0.522 18.516 19.000 0.063 0.000 0.810 227 A HN 0.279 nan 8.150 nan 0.000 0.446 228 N N 0.654 119.338 118.700 -0.026 0.000 2.069 228 N HA -0.093 4.651 4.740 0.007 0.000 0.191 228 N C 1.774 177.247 175.510 -0.062 0.000 1.031 228 N CA 1.846 54.884 53.050 -0.020 0.000 0.852 228 N CB -0.447 38.045 38.487 0.009 0.000 1.018 228 N HN 0.467 nan 8.380 nan 0.000 0.423 229 A N -0.285 122.488 122.820 -0.079 0.000 2.014 229 A HA -0.062 4.262 4.320 0.007 0.000 0.218 229 A C 2.061 179.606 177.584 -0.065 0.000 1.163 229 A CA 1.831 53.813 52.037 -0.092 0.000 0.652 229 A CB -0.749 18.195 19.000 -0.095 0.000 0.808 229 A HN 0.492 nan 8.150 nan 0.000 0.449 230 T N -3.438 111.097 114.554 -0.030 0.000 3.069 230 T HA 0.568 4.922 4.350 0.007 0.000 0.252 230 T C 0.706 175.424 174.700 0.030 0.000 1.053 230 T CA 0.442 62.557 62.100 0.026 0.000 0.964 230 T CB -0.253 68.687 68.868 0.119 0.000 1.005 230 T HN 0.542 nan 8.240 nan 0.000 0.532 231 A N 2.074 124.898 122.820 0.007 0.000 2.440 231 A HA 0.499 4.823 4.320 0.007 0.000 0.251 231 A C 1.531 179.094 177.584 -0.036 0.000 1.089 231 A CA -0.645 51.384 52.037 -0.013 0.000 0.779 231 A CB 0.419 19.400 19.000 -0.030 0.000 1.022 231 A HN 0.193 nan 8.150 nan 0.000 0.492 232 R N 0.923 121.392 120.500 -0.053 0.000 2.073 232 R HA -0.065 4.280 4.340 0.007 0.000 0.234 232 R C -0.299 175.944 176.300 -0.094 0.000 1.134 232 R CA 1.393 57.460 56.100 -0.055 0.000 0.952 232 R CB -0.424 29.837 30.300 -0.064 0.000 0.850 232 R HN 0.840 nan 8.270 nan 0.000 0.433 233 E N -1.066 118.966 120.200 -0.279 0.000 2.220 233 E HA 0.361 4.716 4.350 0.007 0.000 0.256 233 E C -0.098 176.232 176.600 -0.450 0.000 0.881 233 E CA -0.004 56.022 56.400 -0.624 0.000 0.766 233 E CB 1.853 30.539 29.700 -1.690 0.000 1.187 233 E HN 0.100 nan 8.360 nan 0.000 0.419 234 A N 3.205 126.059 122.820 0.056 0.000 2.019 234 A HA -0.149 4.175 4.320 0.007 0.000 0.219 234 A C 1.537 179.197 177.584 0.128 0.000 1.164 234 A CA 1.253 53.369 52.037 0.132 0.000 0.644 234 A CB -0.710 18.457 19.000 0.279 0.000 0.805 234 A HN 0.919 nan 8.150 nan 0.000 0.449 235 W N -0.409 120.913 121.300 0.036 0.000 2.595 235 W HA 0.126 4.790 4.660 0.007 0.000 0.257 235 W C 1.332 177.774 176.519 -0.128 0.000 1.267 235 W CA 0.893 58.206 57.345 -0.054 0.000 1.300 235 W CB 0.005 29.426 29.460 -0.065 0.000 1.120 235 W HN 0.064 nan 8.180 nan 0.000 0.618 236 K N 0.623 120.760 120.400 -0.438 0.000 2.418 236 K HA 0.012 4.337 4.320 0.007 0.000 0.195 236 K C 1.680 178.312 176.600 0.053 0.000 1.035 236 K CA 0.637 56.750 56.287 -0.289 0.000 1.003 236 K CB 0.182 32.469 32.500 -0.355 0.000 0.793 236 K HN 0.177 nan 8.250 nan 0.000 0.494 237 V N 1.276 121.192 119.914 0.004 0.000 3.506 237 V HA -0.047 4.077 4.120 0.007 0.000 0.263 237 V C 1.605 177.728 176.094 0.048 0.000 1.203 237 V CA 0.531 62.865 62.300 0.057 0.000 1.133 237 V CB -0.245 31.587 31.823 0.015 0.000 0.802 237 V HN 0.292 nan 8.190 nan 0.000 0.459 238 M N 0.769 120.358 119.600 -0.018 0.000 2.143 238 M HA -0.171 4.314 4.480 0.007 0.000 0.258 238 M C -0.277 176.078 176.300 0.091 0.000 1.071 238 M CA 2.295 57.498 55.300 -0.162 0.000 1.088 238 M CB -1.883 30.566 32.600 -0.251 0.000 1.360 238 M HN 0.303 nan 8.290 nan 0.000 0.404 239 P HA -0.138 nan 4.420 nan 0.000 0.216 239 P C 1.283 178.628 177.300 0.074 0.000 1.153 239 P CA 1.140 64.377 63.100 0.228 0.000 0.844 239 P CB -0.126 31.778 31.700 0.341 0.000 0.787 240 E N -0.153 120.089 120.200 0.069 0.000 2.085 240 E HA -0.186 4.169 4.350 0.007 0.000 0.194 240 E C 1.881 178.451 176.600 -0.049 0.000 0.994 240 E CA 0.975 57.298 56.400 -0.129 0.000 0.801 240 E CB -0.543 29.226 29.700 0.114 0.000 0.743 240 E HN 0.134 nan 8.360 nan 0.000 0.453 241 L N 0.044 121.287 121.223 0.034 0.000 2.012 241 L HA -0.232 4.112 4.340 0.007 0.000 0.210 241 L C 2.756 179.709 176.870 0.139 0.000 1.073 241 L CA 1.352 56.219 54.840 0.044 0.000 0.748 241 L CB -0.311 41.809 42.059 0.102 0.000 0.891 241 L HN 0.284 nan 8.230 nan 0.000 0.431 242 M N -1.325 118.432 119.600 0.261 0.000 2.159 242 M HA -0.193 4.291 4.480 0.007 0.000 0.263 242 M C 2.233 178.680 176.300 0.245 0.000 1.063 242 M CA 1.284 56.791 55.300 0.344 0.000 1.110 242 M CB -0.359 32.457 32.600 0.359 0.000 1.374 242 M HN 0.096 nan 8.290 nan 0.000 0.411 243 V N 0.214 120.154 119.914 0.044 0.000 2.379 243 V HA -0.243 3.882 4.120 0.007 0.000 0.245 243 V C 2.276 178.397 176.094 0.046 0.000 1.044 243 V CA 1.668 63.950 62.300 -0.029 0.000 1.036 243 V CB -0.680 30.916 31.823 -0.377 0.000 0.664 243 V HN 0.511 nan 8.190 nan 0.000 0.453 244 Q N -1.064 118.741 119.800 0.008 0.000 2.084 244 Q HA -0.198 4.146 4.340 0.007 0.000 0.202 244 Q C 2.318 178.309 176.000 -0.015 0.000 0.978 244 Q CA 1.549 57.333 55.803 -0.032 0.000 0.844 244 Q CB -0.256 28.420 28.738 -0.103 0.000 0.898 244 Q HN 0.694 nan 8.270 nan 0.000 0.426 245 H N 0.125 119.219 119.070 0.039 0.000 2.352 245 H HA -0.070 4.490 4.556 0.007 0.000 0.299 245 H C 2.057 177.470 175.328 0.141 0.000 1.097 245 H CA 1.526 57.571 56.048 -0.006 0.000 1.311 245 H CB -0.202 29.415 29.762 -0.243 0.000 1.377 245 H HN 0.314 nan 8.280 nan 0.000 0.504 246 A N 0.874 123.937 122.820 0.405 0.000 1.972 246 A HA -0.073 4.251 4.320 0.007 0.000 0.219 246 A C 2.692 180.343 177.584 0.113 0.000 1.169 246 A CA 0.903 53.096 52.037 0.260 0.000 0.635 246 A CB -0.624 18.466 19.000 0.149 0.000 0.810 246 A HN 0.272 nan 8.150 nan 0.000 0.446 247 L N -1.176 120.098 121.223 0.085 0.000 2.162 247 L HA -0.075 4.269 4.340 0.007 0.000 0.205 247 L C 2.409 179.310 176.870 0.051 0.000 1.086 247 L CA 1.445 56.306 54.840 0.036 0.000 0.778 247 L CB -0.488 41.547 42.059 -0.040 0.000 0.928 247 L HN 0.479 nan 8.230 nan 0.000 0.446 248 N N -0.427 118.292 118.700 0.032 0.000 2.270 248 N HA -0.131 4.614 4.740 0.007 0.000 0.181 248 N C 1.881 177.455 175.510 0.107 0.000 1.016 248 N CA 1.180 54.257 53.050 0.045 0.000 0.870 248 N CB 0.209 38.701 38.487 0.008 0.000 0.979 248 N HN 0.059 nan 8.380 nan 0.000 0.431 249 S N 0.013 115.747 115.700 0.056 0.000 2.345 249 S HA -0.052 4.423 4.470 0.007 0.000 0.219 249 S C 1.805 176.440 174.600 0.057 0.000 1.031 249 S CA 0.799 58.970 58.200 -0.048 0.000 0.984 249 S CB -0.298 62.694 63.200 -0.347 0.000 0.874 249 S HN 0.364 nan 8.310 nan 0.000 0.451 250 I N 1.021 121.634 120.570 0.072 0.000 2.202 250 I HA -0.080 4.094 4.170 0.007 0.000 0.242 250 I C 1.866 178.076 176.117 0.156 0.000 1.091 250 I CA 0.961 62.334 61.300 0.121 0.000 1.368 250 I CB -0.415 37.636 38.000 0.084 0.000 1.058 250 I HN 0.233 nan 8.210 nan 0.000 0.410 251 F N 0.879 120.839 119.950 0.015 0.000 2.063 251 F HA -0.383 4.148 4.527 0.007 0.000 0.298 251 F C 2.687 178.495 175.800 0.013 0.000 1.105 251 F CA 2.437 60.443 58.000 0.009 0.000 1.215 251 F CB -0.720 38.285 39.000 0.008 0.000 0.972 251 F HN 0.072 nan 8.300 nan 0.000 0.483 252 S N 0.185 116.013 115.700 0.213 0.000 2.368 252 S HA -0.186 4.288 4.470 0.007 0.000 0.225 252 S C 1.835 176.472 174.600 0.062 0.000 1.030 252 S CA 1.262 59.533 58.200 0.119 0.000 0.999 252 S CB -0.643 62.648 63.200 0.152 0.000 0.844 252 S HN 0.381 nan 8.310 nan 0.000 0.459 253 L N 1.840 123.133 121.223 0.117 0.000 2.083 253 L HA -0.026 4.318 4.340 0.007 0.000 0.209 253 L C 2.026 178.921 176.870 0.041 0.000 1.083 253 L CA 1.731 56.639 54.840 0.114 0.000 0.752 253 L CB -0.346 41.826 42.059 0.190 0.000 0.899 253 L HN 0.050 nan 8.230 nan 0.000 0.433 254 K N -1.001 119.395 120.400 -0.007 0.000 2.155 254 K HA -0.004 4.321 4.320 0.007 0.000 0.203 254 K C 2.029 178.607 176.600 -0.036 0.000 1.052 254 K CA 1.226 57.495 56.287 -0.031 0.000 0.948 254 K CB -0.352 32.115 32.500 -0.055 0.000 0.728 254 K HN 0.267 nan 8.250 nan 0.000 0.448 255 V N 0.112 119.942 119.914 -0.141 0.000 2.407 255 V HA -0.160 3.964 4.120 0.007 0.000 0.248 255 V C 1.739 177.874 176.094 0.068 0.000 1.055 255 V CA 2.081 64.326 62.300 -0.091 0.000 1.049 255 V CB -0.366 31.253 31.823 -0.339 0.000 0.662 255 V HN 0.660 nan 8.190 nan 0.000 0.455 256 G N -2.318 106.506 108.800 0.040 0.000 2.613 256 G HA2 -0.120 3.845 3.960 0.007 0.000 0.199 256 G HA3 -0.120 3.845 3.960 0.007 0.000 0.199 256 G C 0.141 175.078 174.900 0.062 0.000 0.991 256 G CA -0.216 44.924 45.100 0.067 0.000 0.756 256 G HN 0.269 nan 8.290 nan 0.000 0.515 257 M N 1.529 121.163 119.600 0.057 0.000 2.252 257 M HA 0.212 4.697 4.480 0.007 0.000 0.329 257 M C 0.586 176.923 176.300 0.062 0.000 1.101 257 M CA 0.654 55.993 55.300 0.064 0.000 1.117 257 M CB 0.430 33.073 32.600 0.071 0.000 1.563 257 M HN 0.004 nan 8.290 nan 0.000 0.445 258 K N 2.342 122.774 120.400 0.054 0.000 2.350 258 K HA 0.061 4.385 4.320 0.007 0.000 0.279 258 K C 0.694 177.320 176.600 0.043 0.000 1.027 258 K CA -0.140 56.170 56.287 0.039 0.000 0.969 258 K CB 0.887 33.411 32.500 0.041 0.000 0.954 258 K HN 0.546 nan 8.250 nan 0.000 0.474 259 K N 1.143 121.536 120.400 -0.012 0.000 2.059 259 K HA -0.217 4.108 4.320 0.007 0.000 0.212 259 K C 1.874 178.457 176.600 -0.028 0.000 1.050 259 K CA 2.265 58.492 56.287 -0.099 0.000 0.927 259 K CB -0.078 32.228 32.500 -0.324 0.000 0.714 259 K HN 0.678 nan 8.250 nan 0.000 0.447 260 S N 0.091 115.780 115.700 -0.018 0.000 2.603 260 S HA -0.000 4.474 4.470 0.007 0.000 0.229 260 S C 1.049 175.735 174.600 0.144 0.000 0.972 260 S CA 0.599 58.812 58.200 0.022 0.000 0.935 260 S CB -0.017 63.188 63.200 0.009 0.000 0.769 260 S HN 0.232 nan 8.310 nan 0.000 0.536 261 N N 0.635 119.400 118.700 0.107 0.000 2.184 261 N HA 0.361 5.105 4.740 0.007 0.000 0.206 261 N C -0.620 174.906 175.510 0.026 0.000 1.151 261 N CA 0.033 53.120 53.050 0.063 0.000 0.878 261 N CB 0.525 39.030 38.487 0.029 0.000 1.014 261 N HN 0.474 nan 8.380 nan 0.000 0.512 262 I N 1.498 122.132 120.570 0.106 0.000 2.291 262 I HA 0.210 4.384 4.170 0.007 0.000 0.290 262 I C -0.372 175.820 176.117 0.125 0.000 1.050 262 I CA -0.377 61.007 61.300 0.140 0.000 1.245 262 I CB 0.730 38.914 38.000 0.306 0.000 1.405 262 I HN -0.135 nan 8.210 nan 0.000 0.478 263 C N 6.969 126.280 119.300 0.018 0.000 2.322 263 C HA 0.528 4.992 4.460 0.007 0.000 0.324 263 C C 0.056 175.021 174.990 -0.042 0.000 1.284 263 C CA -0.857 58.153 59.018 -0.014 0.000 1.606 263 C CB 0.685 28.385 27.740 -0.068 0.000 2.251 263 C HN 0.456 nan 8.230 nan 0.000 0.502 264 L N 2.872 124.038 121.223 -0.094 0.000 2.319 264 L HA 0.311 4.655 4.340 0.007 0.000 0.280 264 L C 0.829 177.662 176.870 -0.062 0.000 1.099 264 L CA 0.714 55.442 54.840 -0.188 0.000 0.828 264 L CB 0.913 42.588 42.059 -0.641 0.000 1.150 264 L HN 0.752 nan 8.230 nan 0.000 0.442 265 S N 2.085 117.889 115.700 0.174 0.000 2.411 265 S HA 0.322 4.796 4.470 0.007 0.000 0.304 265 S C 0.001 174.771 174.600 0.283 0.000 1.098 265 S CA -0.356 57.956 58.200 0.187 0.000 1.068 265 S CB -0.171 63.194 63.200 0.274 0.000 1.032 265 S HN 0.653 nan 8.310 nan 0.000 0.511 266 T N 5.516 120.149 114.554 0.132 0.000 2.934 266 T HA 0.475 4.829 4.350 0.007 0.000 0.328 266 T C -0.881 173.907 174.700 0.147 0.000 1.068 266 T CA -0.483 61.716 62.100 0.165 0.000 1.018 266 T CB 0.301 69.167 68.868 -0.004 0.000 1.009 266 T HN 0.337 nan 8.240 nan 0.000 0.471 267 V N 8.316 128.346 119.914 0.193 0.000 2.407 267 V HA 0.415 4.540 4.120 0.007 0.000 0.278 267 V C -2.058 174.156 176.094 0.200 0.000 1.037 267 V CA -2.105 60.289 62.300 0.157 0.000 0.900 267 V CB 1.337 33.240 31.823 0.134 0.000 0.983 267 V HN 0.728 nan 8.190 nan 0.000 0.459 268 P HA 0.112 nan 4.420 nan 0.000 0.261 268 P C -2.168 175.252 177.300 0.199 0.000 1.183 268 P CA -0.729 62.491 63.100 0.201 0.000 0.761 268 P CB 0.220 32.016 31.700 0.161 0.000 0.785 269 P HA -0.054 nan 4.420 nan 0.000 0.225 269 P C 0.254 177.772 177.300 0.364 0.000 1.156 269 P CA 1.234 64.468 63.100 0.223 0.000 0.787 269 P CB 0.198 32.000 31.700 0.171 0.000 0.802 270 T N -4.007 110.721 114.554 0.291 0.000 2.907 270 T HA 0.824 5.178 4.350 0.007 0.000 0.290 270 T C -0.944 173.852 174.700 0.160 0.000 1.066 270 T CA -1.023 61.222 62.100 0.242 0.000 1.012 270 T CB 2.382 71.263 68.868 0.022 0.000 1.184 270 T HN -0.053 nan 8.240 nan 0.000 0.522 271 A N 1.002 123.845 122.820 0.038 0.000 2.556 271 A HA 0.869 5.193 4.320 0.007 0.000 0.294 271 A C -3.146 174.387 177.584 -0.084 0.000 1.091 271 A CA -2.026 50.026 52.037 0.025 0.000 0.704 271 A CB 0.730 19.795 19.000 0.108 0.000 1.300 271 A HN 0.676 nan 8.150 nan 0.000 0.406 272 P HA 0.101 nan 4.420 nan 0.000 0.264 272 P C -1.795 175.442 177.300 -0.105 0.000 1.179 272 P CA -0.341 62.708 63.100 -0.087 0.000 0.763 272 P CB 0.185 31.851 31.700 -0.056 0.000 0.806 273 P HA 0.091 nan 4.420 nan 0.000 0.249 273 P C 0.078 177.276 177.300 -0.171 0.000 1.229 273 P CA 0.256 63.281 63.100 -0.126 0.000 0.788 273 P CB 0.112 31.747 31.700 -0.108 0.000 1.072 274 A N 2.805 125.484 122.820 -0.235 0.000 2.466 274 A HA 0.304 4.628 4.320 0.007 0.000 0.238 274 A C -1.824 175.646 177.584 -0.191 0.000 1.074 274 A CA -1.104 50.760 52.037 -0.289 0.000 0.774 274 A CB -0.739 18.003 19.000 -0.429 0.000 1.015 274 A HN 0.052 nan 8.150 nan 0.000 0.498 275 P HA 0.044 nan 4.420 nan 0.000 0.249 275 P C 0.659 177.940 177.300 -0.032 0.000 1.737 275 P CA 0.336 63.377 63.100 -0.098 0.000 1.128 275 P CB -0.107 31.516 31.700 -0.128 0.000 1.942 276 S N 2.192 117.872 115.700 -0.033 0.000 2.371 276 S HA -0.138 4.337 4.470 0.007 0.000 0.224 276 S C 1.913 176.548 174.600 0.059 0.000 1.029 276 S CA 0.632 58.833 58.200 0.002 0.000 0.978 276 S CB -0.732 62.472 63.200 0.007 0.000 0.833 276 S HN 0.064 nan 8.310 nan 0.000 0.466 277 M N 0.548 120.189 119.600 0.068 0.000 2.108 277 M HA -0.055 4.429 4.480 0.007 0.000 0.261 277 M C 2.169 178.537 176.300 0.114 0.000 1.066 277 M CA 1.650 57.002 55.300 0.086 0.000 1.107 277 M CB -1.329 31.319 32.600 0.079 0.000 1.356 277 M HN 0.519 nan 8.290 nan 0.000 0.406 278 Y N 0.616 120.914 120.300 -0.003 0.000 2.263 278 Y HA -0.095 4.460 4.550 0.007 0.000 0.292 278 Y C 2.139 178.045 175.900 0.011 0.000 1.130 278 Y CA 1.255 59.355 58.100 0.000 0.000 1.179 278 Y CB -0.087 38.361 38.460 -0.021 0.000 0.998 278 Y HN 0.072 nan 8.280 nan 0.000 0.532 279 L N -0.432 120.882 121.223 0.152 0.000 2.072 279 L HA -0.166 4.179 4.340 0.007 0.000 0.205 279 L C 1.638 178.562 176.870 0.090 0.000 1.079 279 L CA 1.348 56.238 54.840 0.082 0.000 0.752 279 L CB -0.342 41.736 42.059 0.032 0.000 0.906 279 L HN 0.150 nan 8.230 nan 0.000 0.436 280 D N -0.525 119.939 120.400 0.106 0.000 2.271 280 D HA -0.075 4.570 4.640 0.007 0.000 0.206 280 D C 2.014 178.404 176.300 0.150 0.000 0.967 280 D CA 0.524 54.620 54.000 0.159 0.000 0.867 280 D CB 0.120 41.013 40.800 0.155 0.000 0.960 280 D HN 0.109 nan 8.370 nan 0.000 0.509 281 L N 1.247 122.515 121.223 0.075 0.000 2.093 281 L HA 0.014 4.358 4.340 0.007 0.000 0.208 281 L C -1.094 175.798 176.870 0.036 0.000 1.085 281 L CA 1.771 56.638 54.840 0.044 0.000 0.755 281 L CB -1.138 40.926 42.059 0.009 0.000 0.904 281 L HN -0.083 nan 8.230 nan 0.000 0.435 282 P HA -0.166 nan 4.420 nan 0.000 0.220 282 P C 1.188 178.562 177.300 0.124 0.000 1.152 282 P CA 1.085 64.211 63.100 0.043 0.000 0.812 282 P CB -0.237 31.469 31.700 0.010 0.000 0.792 283 Y N 1.381 121.711 120.300 0.050 0.000 2.181 283 Y HA -0.180 4.374 4.550 0.007 0.000 0.288 283 Y C 2.345 178.279 175.900 0.057 0.000 1.146 283 Y CA 1.401 59.547 58.100 0.076 0.000 1.164 283 Y CB -1.164 37.355 38.460 0.098 0.000 0.982 283 Y HN -0.113 nan 8.280 nan 0.000 0.515 284 A N -0.498 122.273 122.820 -0.081 0.000 1.892 284 A HA -0.210 4.114 4.320 0.007 0.000 0.218 284 A C 2.364 179.856 177.584 -0.153 0.000 1.188 284 A CA 2.529 54.468 52.037 -0.164 0.000 0.631 284 A CB -1.371 17.610 19.000 -0.031 0.000 0.822 284 A HN 0.342 nan 8.150 nan 0.000 0.447 285 V N -0.454 119.418 119.914 -0.070 0.000 2.323 285 V HA -0.156 3.968 4.120 0.007 0.000 0.244 285 V C 3.044 179.117 176.094 -0.034 0.000 1.041 285 V CA 1.741 64.017 62.300 -0.040 0.000 1.025 285 V CB -1.292 30.524 31.823 -0.011 0.000 0.656 285 V HN 0.626 nan 8.190 nan 0.000 0.451 286 A N -0.112 122.694 122.820 -0.023 0.000 1.883 286 A HA -0.221 4.103 4.320 0.007 0.000 0.217 286 A C 2.182 179.780 177.584 0.023 0.000 1.186 286 A CA 2.094 54.146 52.037 0.026 0.000 0.624 286 A CB -0.662 18.395 19.000 0.096 0.000 0.822 286 A HN 0.410 nan 8.150 nan 0.000 0.444 287 L N -0.656 120.488 121.223 -0.131 0.000 2.012 287 L HA -0.163 4.182 4.340 0.007 0.000 0.210 287 L C 2.561 179.439 176.870 0.013 0.000 1.073 287 L CA 2.138 56.894 54.840 -0.141 0.000 0.748 287 L CB -0.517 41.221 42.059 -0.536 0.000 0.891 287 L HN 0.299 nan 8.230 nan 0.000 0.431 288 R N -0.641 119.828 120.500 -0.053 0.000 2.115 288 R HA -0.096 4.248 4.340 0.007 0.000 0.230 288 R C 2.201 178.542 176.300 0.069 0.000 1.111 288 R CA 1.206 57.308 56.100 0.004 0.000 0.976 288 R CB -0.225 30.055 30.300 -0.032 0.000 0.870 288 R HN 0.483 nan 8.270 nan 0.000 0.445 289 E N -0.652 119.583 120.200 0.058 0.000 2.051 289 E HA -0.154 4.200 4.350 0.007 0.000 0.189 289 E C 1.709 178.352 176.600 0.071 0.000 0.979 289 E CA 1.124 57.556 56.400 0.053 0.000 0.803 289 E CB -0.058 29.664 29.700 0.035 0.000 0.761 289 E HN 0.086 nan 8.360 nan 0.000 0.451 290 M N -0.186 119.477 119.600 0.105 0.000 2.279 290 M HA -0.078 4.406 4.480 0.007 0.000 0.264 290 M C 0.528 176.784 176.300 -0.072 0.000 1.062 290 M CA 1.493 56.813 55.300 0.034 0.000 1.099 290 M CB 0.117 32.764 32.600 0.078 0.000 1.394 290 M HN -0.028 nan 8.290 nan 0.000 0.426 291 F N 0.577 120.549 119.950 0.037 0.000 2.837 291 F HA 0.262 4.794 4.527 0.007 0.000 0.298 291 F C 0.305 176.193 175.800 0.146 0.000 1.161 291 F CA -0.778 57.299 58.000 0.128 0.000 1.353 291 F CB -0.274 38.753 39.000 0.044 0.000 0.951 291 F HN -0.073 nan 8.300 nan 0.000 0.508 292 E N 0.947 121.238 120.200 0.151 0.000 2.558 292 E HA 0.133 4.487 4.350 0.007 0.000 0.255 292 E C 1.171 177.779 176.600 0.013 0.000 0.968 292 E CA 1.228 57.665 56.400 0.062 0.000 0.939 292 E CB 0.597 30.303 29.700 0.009 0.000 0.921 292 E HN 0.654 nan 8.360 nan 0.000 0.477 293 G N 3.170 111.943 108.800 -0.044 0.000 2.436 293 G HA2 -0.244 3.720 3.960 0.007 0.000 0.204 293 G HA3 -0.244 3.720 3.960 0.007 0.000 0.204 293 G C -0.151 174.601 174.900 -0.247 0.000 1.026 293 G CA -0.431 44.549 45.100 -0.199 0.000 0.658 293 G HN 0.447 nan 8.290 nan 0.000 0.499 294 Y N 1.952 122.275 120.300 0.038 0.000 2.295 294 Y HA 0.715 5.270 4.550 0.007 0.000 0.331 294 Y C 1.307 177.190 175.900 -0.027 0.000 1.311 294 Y CA -0.438 57.685 58.100 0.038 0.000 1.430 294 Y CB 0.462 39.002 38.460 0.134 0.000 1.339 294 Y HN 0.023 nan 8.280 nan 0.000 0.552 295 R N 1.473 122.051 120.500 0.130 0.000 2.457 295 R HA 0.351 4.695 4.340 0.007 0.000 0.284 295 R C -0.779 175.518 176.300 -0.005 0.000 1.024 295 R CA -0.582 55.525 56.100 0.011 0.000 1.025 295 R CB 0.805 31.125 30.300 0.034 0.000 1.063 295 R HN 0.573 nan 8.270 nan 0.000 0.493 296 M N 2.620 122.197 119.600 -0.038 0.000 2.129 296 M HA 0.291 4.775 4.480 0.007 0.000 0.348 296 M C 0.365 176.659 176.300 -0.010 0.000 1.116 296 M CA -0.421 54.842 55.300 -0.062 0.000 1.022 296 M CB 1.015 33.571 32.600 -0.074 0.000 1.599 296 M HN 0.179 nan 8.290 nan 0.000 0.449 297 R N 2.854 123.343 120.500 -0.019 0.000 2.233 297 R HA 0.615 4.959 4.340 0.007 0.000 0.334 297 R C -1.077 175.224 176.300 0.001 0.000 1.037 297 R CA -0.080 56.028 56.100 0.013 0.000 0.920 297 R CB 0.493 30.784 30.300 -0.015 0.000 1.137 297 R HN 0.821 nan 8.270 nan 0.000 0.492 298 A N 3.619 126.449 122.820 0.016 0.000 2.363 298 A HA 0.288 4.612 4.320 0.007 0.000 0.270 298 A C -0.312 177.276 177.584 0.007 0.000 1.121 298 A CA -0.316 51.730 52.037 0.015 0.000 0.800 298 A CB 0.977 19.990 19.000 0.021 0.000 1.052 298 A HN 0.737 nan 8.150 nan 0.000 0.493 299 Q N 1.382 121.186 119.800 0.006 0.000 2.484 299 Q HA 0.730 5.075 4.340 0.007 0.000 0.285 299 Q C -0.981 175.015 176.000 -0.006 0.000 1.097 299 Q CA -0.354 55.434 55.803 -0.025 0.000 0.802 299 Q CB 1.435 30.138 28.738 -0.060 0.000 1.444 299 Q HN 0.735 nan 8.270 nan 0.000 0.429 300 M N 1.825 121.394 119.600 -0.051 0.000 2.478 300 M HA 0.390 4.874 4.480 0.007 0.000 0.327 300 M C -0.155 176.160 176.300 0.026 0.000 1.187 300 M CA -0.910 54.365 55.300 -0.041 0.000 1.022 300 M CB 1.243 33.664 32.600 -0.298 0.000 1.629 300 M HN 0.791 nan 8.290 nan 0.000 0.461 301 N N 0.700 119.479 118.700 0.132 0.000 2.294 301 N HA -0.071 4.673 4.740 0.007 0.000 0.263 301 N C 0.338 175.929 175.510 0.134 0.000 1.281 301 N CA 0.889 54.029 53.050 0.150 0.000 0.846 301 N CB 0.554 39.164 38.487 0.204 0.000 1.061 301 N HN 0.745 nan 8.380 nan 0.000 0.478 302 T N 0.043 114.630 114.554 0.056 0.000 2.969 302 T HA 0.142 4.496 4.350 0.007 0.000 0.258 302 T C 1.403 176.082 174.700 -0.035 0.000 0.962 302 T CA -0.374 61.741 62.100 0.025 0.000 0.903 302 T CB -0.102 68.766 68.868 0.001 0.000 1.177 302 T HN 0.432 nan 8.240 nan 0.000 0.511 303 K N 0.609 120.945 120.400 -0.106 0.000 1.985 303 K HA -0.018 4.306 4.320 0.007 0.000 0.210 303 K C -0.125 176.325 176.600 -0.250 0.000 1.047 303 K CA 1.151 57.267 56.287 -0.285 0.000 0.932 303 K CB -0.063 32.100 32.500 -0.561 0.000 0.716 303 K HN 0.355 nan 8.250 nan 0.000 0.439 304 Y N 0.648 120.979 120.300 0.050 0.000 2.832 304 Y HA 0.320 4.874 4.550 0.007 0.000 0.372 304 Y C 0.038 175.944 175.900 0.009 0.000 1.238 304 Y CA -0.061 58.061 58.100 0.038 0.000 1.713 304 Y CB 0.128 38.617 38.460 0.049 0.000 1.809 304 Y HN 0.084 nan 8.280 nan 0.000 0.472 305 M N 0.254 119.916 119.600 0.102 0.000 2.593 305 M HA 0.461 4.945 4.480 0.007 0.000 0.290 305 M C -1.124 175.179 176.300 0.005 0.000 1.244 305 M CA -0.374 54.946 55.300 0.033 0.000 0.857 305 M CB 2.622 35.232 32.600 0.017 0.000 1.738 305 M HN 0.162 nan 8.290 nan 0.000 0.461 306 E N 0.415 120.597 120.200 -0.030 0.000 2.390 306 E HA 0.576 4.930 4.350 0.007 0.000 0.242 306 E C -0.770 175.782 176.600 -0.081 0.000 0.907 306 E CA -0.108 56.267 56.400 -0.042 0.000 0.884 306 E CB 1.985 31.667 29.700 -0.030 0.000 1.788 306 E HN 0.761 nan 8.360 nan 0.000 0.427 307 A N 0.375 123.143 122.820 -0.087 0.000 2.302 307 A HA 0.075 4.399 4.320 0.007 0.000 0.219 307 A C 0.633 178.135 177.584 -0.136 0.000 1.243 307 A CA 0.512 52.476 52.037 -0.121 0.000 0.856 307 A CB -0.195 18.742 19.000 -0.106 0.000 0.893 307 A HN 0.130 nan 8.150 nan 0.000 0.491 308 S N -0.036 115.594 115.700 -0.117 0.000 2.429 308 S HA 0.309 4.784 4.470 0.007 0.000 0.302 308 S C 1.399 175.914 174.600 -0.141 0.000 1.115 308 S CA 0.230 58.362 58.200 -0.113 0.000 1.095 308 S CB 0.792 63.946 63.200 -0.076 0.000 0.987 308 S HN 0.576 nan 8.310 nan 0.000 0.474 309 T N 3.075 117.530 114.554 -0.164 0.000 2.821 309 T HA -0.127 4.227 4.350 0.007 0.000 0.267 309 T C 1.825 176.461 174.700 -0.107 0.000 1.046 309 T CA 0.856 62.846 62.100 -0.183 0.000 1.139 309 T CB -0.344 68.384 68.868 -0.233 0.000 0.871 309 T HN 0.669 nan 8.240 nan 0.000 0.454 310 R N 1.276 121.733 120.500 -0.072 0.000 2.073 310 R HA -0.109 4.236 4.340 0.007 0.000 0.234 310 R C 2.552 178.806 176.300 -0.076 0.000 1.134 310 R CA 1.839 57.909 56.100 -0.049 0.000 0.952 310 R CB -0.460 29.823 30.300 -0.030 0.000 0.850 310 R HN 0.660 nan 8.270 nan 0.000 0.433 311 E N -0.158 119.990 120.200 -0.087 0.000 2.118 311 E HA -0.206 4.148 4.350 0.007 0.000 0.195 311 E C 1.748 178.250 176.600 -0.163 0.000 0.992 311 E CA 1.304 57.645 56.400 -0.098 0.000 0.804 311 E CB -0.083 29.568 29.700 -0.081 0.000 0.741 311 E HN 0.491 nan 8.360 nan 0.000 0.458 312 A N 0.249 122.936 122.820 -0.222 0.000 1.873 312 A HA -0.153 4.171 4.320 0.007 0.000 0.215 312 A C 2.398 179.593 177.584 -0.649 0.000 1.186 312 A CA 1.977 53.749 52.037 -0.442 0.000 0.616 312 A CB -0.968 17.842 19.000 -0.317 0.000 0.823 312 A HN 0.320 nan 8.150 nan 0.000 0.442 313 T N -0.260 114.128 114.554 -0.277 0.000 2.759 313 T HA -0.127 4.227 4.350 0.007 0.000 0.269 313 T C 1.852 176.510 174.700 -0.071 0.000 1.042 313 T CA 1.661 63.705 62.100 -0.095 0.000 1.140 313 T CB -0.381 68.488 68.868 0.001 0.000 0.864 313 T HN 0.157 nan 8.240 nan 0.000 0.455 314 V N 1.344 121.203 119.914 -0.092 0.000 2.379 314 V HA -0.146 3.978 4.120 0.007 0.000 0.245 314 V C 2.775 178.846 176.094 -0.040 0.000 1.044 314 V CA 1.864 64.139 62.300 -0.043 0.000 1.036 314 V CB -1.090 30.710 31.823 -0.039 0.000 0.664 314 V HN 0.502 nan 8.190 nan 0.000 0.453 315 T N -0.889 113.607 114.554 -0.098 0.000 2.720 315 T HA -0.234 4.121 4.350 0.007 0.000 0.268 315 T C 1.664 176.401 174.700 0.063 0.000 1.037 315 T CA 2.009 64.085 62.100 -0.041 0.000 1.144 315 T CB -0.414 68.412 68.868 -0.069 0.000 0.864 315 T HN 0.670 nan 8.240 nan 0.000 0.444 316 H N -0.149 118.937 119.070 0.027 0.000 2.387 316 H HA 0.008 4.568 4.556 0.007 0.000 0.299 316 H C 2.338 177.686 175.328 0.033 0.000 1.090 316 H CA 0.732 56.798 56.048 0.031 0.000 1.332 316 H CB -0.060 29.718 29.762 0.026 0.000 1.386 316 H HN 0.132 nan 8.280 nan 0.000 0.516 317 V N 1.170 121.172 119.914 0.146 0.000 2.427 317 V HA -0.225 3.899 4.120 0.007 0.000 0.248 317 V C 2.340 178.479 176.094 0.076 0.000 1.051 317 V CA 1.352 63.708 62.300 0.093 0.000 1.048 317 V CB -0.402 31.459 31.823 0.064 0.000 0.666 317 V HN 0.374 nan 8.190 nan 0.000 0.456 318 L N -0.030 121.236 121.223 0.071 0.000 2.093 318 L HA -0.179 4.165 4.340 0.007 0.000 0.208 318 L C 2.249 179.165 176.870 0.077 0.000 1.085 318 L CA 1.917 56.794 54.840 0.063 0.000 0.755 318 L CB -0.866 41.224 42.059 0.052 0.000 0.904 318 L HN 0.445 nan 8.230 nan 0.000 0.435 319 N N 0.245 119.006 118.700 0.102 0.000 2.104 319 N HA -0.206 4.539 4.740 0.007 0.000 0.190 319 N C 1.899 177.454 175.510 0.074 0.000 1.024 319 N CA 0.943 54.053 53.050 0.100 0.000 0.853 319 N CB -0.204 38.355 38.487 0.119 0.000 1.008 319 N HN 0.230 nan 8.380 nan 0.000 0.424 320 L N 0.325 121.591 121.223 0.073 0.000 2.191 320 L HA -0.135 4.209 4.340 0.007 0.000 0.212 320 L C 2.163 179.060 176.870 0.046 0.000 1.103 320 L CA 0.526 55.400 54.840 0.056 0.000 0.769 320 L CB -0.196 41.899 42.059 0.059 0.000 0.908 320 L HN 0.254 nan 8.230 nan 0.000 0.438 321 L N -0.722 120.530 121.223 0.048 0.000 2.131 321 L HA -0.104 4.240 4.340 0.007 0.000 0.206 321 L C 2.307 179.198 176.870 0.036 0.000 1.087 321 L CA 1.445 56.308 54.840 0.038 0.000 0.767 321 L CB -0.320 41.762 42.059 0.037 0.000 0.917 321 L HN 0.033 nan 8.230 nan 0.000 0.441 322 I N -0.476 120.121 120.570 0.044 0.000 2.194 322 I HA -0.292 3.882 4.170 0.007 0.000 0.246 322 I C 2.502 178.636 176.117 0.027 0.000 1.093 322 I CA 1.432 62.757 61.300 0.041 0.000 1.355 322 I CB -1.514 36.521 38.000 0.058 0.000 1.046 322 I HN 0.260 nan 8.210 nan 0.000 0.413 323 S N 0.470 116.187 115.700 0.030 0.000 2.359 323 S HA -0.229 4.245 4.470 0.007 0.000 0.224 323 S C 2.005 176.614 174.600 0.014 0.000 1.035 323 S CA 1.620 59.831 58.200 0.020 0.000 1.018 323 S CB -0.194 63.022 63.200 0.026 0.000 0.876 323 S HN 0.300 nan 8.310 nan 0.000 0.448 324 K N 1.414 121.825 120.400 0.019 0.000 2.148 324 K HA 0.124 4.449 4.320 0.007 0.000 0.204 324 K C 1.706 178.311 176.600 0.009 0.000 1.050 324 K CA 0.910 57.206 56.287 0.014 0.000 0.942 324 K CB -0.388 32.122 32.500 0.017 0.000 0.724 324 K HN 0.289 nan 8.250 nan 0.000 0.446 325 L N 0.194 121.423 121.223 0.010 0.000 2.362 325 L HA -0.093 4.251 4.340 0.007 0.000 0.219 325 L C 1.669 178.539 176.870 -0.000 0.000 1.134 325 L CA 1.359 56.203 54.840 0.007 0.000 0.807 325 L CB -0.534 41.532 42.059 0.012 0.000 0.927 325 L HN 0.498 nan 8.230 nan 0.000 0.447 326 T N -3.468 111.083 114.554 -0.004 0.000 2.977 326 T HA 0.297 4.652 4.350 0.007 0.000 0.152 326 T C 0.264 174.953 174.700 -0.018 0.000 0.867 326 T CA -0.552 61.539 62.100 -0.014 0.000 0.917 326 T CB 1.020 69.873 68.868 -0.025 0.000 2.051 326 T HN 0.070 nan 8.240 nan 0.000 0.350 327 R N 0.015 120.501 120.500 -0.023 0.000 2.664 327 R HA 0.652 4.997 4.340 0.007 0.000 0.266 327 R C -2.395 173.893 176.300 -0.021 0.000 1.046 327 R CA -0.307 55.778 56.100 -0.025 0.000 0.885 327 R CB 1.773 32.050 30.300 -0.037 0.000 1.254 327 R HN 0.952 nan 8.270 nan 0.000 0.465 328 A N 2.503 125.317 122.820 -0.011 0.000 2.509 328 A HA 0.286 4.610 4.320 0.007 0.000 0.282 328 A C -0.729 176.869 177.584 0.024 0.000 1.054 328 A CA -0.719 51.323 52.037 0.009 0.000 0.820 328 A CB 1.317 20.334 19.000 0.028 0.000 1.333 328 A HN 0.869 nan 8.150 nan 0.000 0.409 329 D N 1.449 121.860 120.400 0.019 0.000 2.162 329 D HA 0.064 4.709 4.640 0.007 0.000 0.203 329 D C 0.379 176.846 176.300 0.277 0.000 0.967 329 D CA 1.467 55.492 54.000 0.041 0.000 0.840 329 D CB 0.454 41.165 40.800 -0.148 0.000 0.972 329 D HN 0.599 nan 8.370 nan 0.000 0.482 330 I N 0.618 121.336 120.570 0.246 0.000 2.545 330 I HA 0.185 4.359 4.170 0.007 0.000 0.292 330 I C -0.647 175.560 176.117 0.151 0.000 1.040 330 I CA -0.853 60.610 61.300 0.270 0.000 1.068 330 I CB 2.370 40.542 38.000 0.287 0.000 1.251 330 I HN -0.302 nan 8.210 nan 0.000 0.424 331 Q N 4.316 124.198 119.800 0.136 0.000 2.327 331 Q HA 0.491 4.836 4.340 0.007 0.000 0.270 331 Q C -1.365 174.673 176.000 0.063 0.000 1.022 331 Q CA -0.273 55.577 55.803 0.078 0.000 0.773 331 Q CB 1.834 30.611 28.738 0.065 0.000 1.251 331 Q HN 0.680 nan 8.270 nan 0.000 0.457 332 S N 1.649 117.361 115.700 0.019 0.000 2.722 332 S HA 0.836 5.310 4.470 0.007 0.000 0.292 332 S C -0.545 174.019 174.600 -0.060 0.000 1.135 332 S CA -0.383 57.803 58.200 -0.023 0.000 1.003 332 S CB 1.349 64.509 63.200 -0.067 0.000 1.067 332 S HN 0.767 nan 8.310 nan 0.000 0.546 333 T N -0.994 113.509 114.554 -0.085 0.000 2.906 333 T HA 0.717 5.071 4.350 0.007 0.000 0.295 333 T C -1.018 173.591 174.700 -0.151 0.000 1.061 333 T CA -0.752 61.273 62.100 -0.124 0.000 1.000 333 T CB 0.717 69.548 68.868 -0.062 0.000 1.103 333 T HN 0.292 nan 8.240 nan 0.000 0.486 334 I N 3.131 123.547 120.570 -0.256 0.000 2.433 334 I HA 0.339 4.513 4.170 0.007 0.000 0.292 334 I C 1.060 177.130 176.117 -0.079 0.000 1.001 334 I CA -0.466 60.726 61.300 -0.180 0.000 1.119 334 I CB 1.762 39.632 38.000 -0.216 0.000 1.289 334 I HN 1.073 nan 8.210 nan 0.000 0.438 335 T N 4.203 118.752 114.554 -0.008 0.000 2.916 335 T HA 0.207 4.561 4.350 0.007 0.000 0.303 335 T C -1.621 173.096 174.700 0.029 0.000 1.025 335 T CA -1.086 61.036 62.100 0.037 0.000 1.142 335 T CB 0.778 69.671 68.868 0.041 0.000 0.947 335 T HN 0.446 nan 8.240 nan 0.000 0.544 336 P HA -0.025 nan 4.420 nan 0.000 0.230 336 P C 0.652 177.760 177.300 -0.321 0.000 1.158 336 P CA 0.721 63.769 63.100 -0.085 0.000 0.769 336 P CB 0.035 31.687 31.700 -0.080 0.000 0.807 337 D N -1.161 118.937 120.400 -0.504 0.000 2.339 337 D HA -0.072 4.572 4.640 0.007 0.000 0.217 337 D C 1.627 177.713 176.300 -0.357 0.000 1.050 337 D CA 0.074 53.704 54.000 -0.616 0.000 0.856 337 D CB -0.651 39.567 40.800 -0.971 0.000 0.922 337 D HN 0.045 nan 8.370 nan 0.000 0.518 338 E N 1.170 121.243 120.200 -0.212 0.000 2.097 338 E HA -0.144 4.210 4.350 0.007 0.000 0.196 338 E C 1.954 178.478 176.600 -0.126 0.000 1.000 338 E CA 1.496 57.817 56.400 -0.131 0.000 0.804 338 E CB -0.408 29.256 29.700 -0.060 0.000 0.740 338 E HN 0.497 nan 8.360 nan 0.000 0.454 339 G N 0.106 108.830 108.800 -0.127 0.000 2.679 339 G HA2 -0.193 3.771 3.960 0.007 0.000 0.212 339 G HA3 -0.193 3.771 3.960 0.007 0.000 0.212 339 G C 1.612 176.433 174.900 -0.132 0.000 1.137 339 G CA 0.394 45.429 45.100 -0.107 0.000 0.787 339 G HN 0.133 nan 8.290 nan 0.000 0.534 340 R N -0.055 120.328 120.500 -0.194 0.000 2.167 340 R HA 0.135 4.479 4.340 0.007 0.000 0.195 340 R C 0.414 176.588 176.300 -0.210 0.000 1.027 340 R CA 0.549 56.521 56.100 -0.214 0.000 1.114 340 R CB 0.228 30.348 30.300 -0.301 0.000 1.075 340 R HN 0.497 nan 8.270 nan 0.000 0.538 341 N N -1.034 117.503 118.700 -0.271 0.000 2.853 341 N HA 0.137 4.881 4.740 0.007 0.000 0.258 341 N C -1.007 174.395 175.510 -0.180 0.000 1.444 341 N CA -0.734 52.187 53.050 -0.215 0.000 0.837 341 N CB 1.887 40.197 38.487 -0.294 0.000 1.489 341 N HN -0.226 nan 8.380 nan 0.000 0.529 342 V N 0.778 120.649 119.914 -0.071 0.000 2.715 342 V HA 0.212 4.337 4.120 0.007 0.000 0.299 342 V C -2.016 174.074 176.094 -0.007 0.000 1.054 342 V CA -0.854 61.426 62.300 -0.034 0.000 1.077 342 V CB 0.288 32.099 31.823 -0.020 0.000 0.972 342 V HN 0.623 nan 8.190 nan 0.000 0.484 343 P HA 0.030 nan 4.420 nan 0.000 0.265 343 P C -0.851 176.581 177.300 0.220 0.000 1.193 343 P CA 0.033 63.154 63.100 0.035 0.000 0.765 343 P CB 0.293 32.020 31.700 0.045 0.000 0.823 344 W N 2.669 123.984 121.300 0.025 0.000 2.436 344 W HA 0.205 4.869 4.660 0.007 0.000 0.347 344 W C 1.888 178.362 176.519 -0.075 0.000 1.136 344 W CA -0.380 56.910 57.345 -0.092 0.000 1.286 344 W CB -0.628 28.829 29.460 -0.004 0.000 1.253 344 W HN 0.559 nan 8.180 nan 0.000 0.617 345 H N 1.815 120.992 119.070 0.179 0.000 2.267 345 H HA -0.240 4.320 4.556 0.007 0.000 0.291 345 H C 2.013 177.347 175.328 0.011 0.000 1.094 345 H CA 2.712 58.797 56.048 0.062 0.000 1.227 345 H CB -0.931 28.828 29.762 -0.006 0.000 1.351 345 H HN 0.527 nan 8.280 nan 0.000 0.483 346 I N -1.378 119.234 120.570 0.070 0.000 2.454 346 I HA -0.246 3.928 4.170 0.007 0.000 0.254 346 I C 1.700 177.655 176.117 -0.271 0.000 1.156 346 I CA 1.660 62.858 61.300 -0.169 0.000 1.433 346 I CB -0.581 37.239 38.000 -0.300 0.000 1.082 346 I HN -0.038 nan 8.210 nan 0.000 0.432 347 Y N 1.617 121.970 120.300 0.088 0.000 2.448 347 Y HA 0.057 4.611 4.550 0.007 0.000 0.289 347 Y C 2.255 178.168 175.900 0.021 0.000 1.114 347 Y CA 0.863 58.979 58.100 0.026 0.000 1.235 347 Y CB -0.850 37.591 38.460 -0.032 0.000 1.045 347 Y HN 0.214 nan 8.280 nan 0.000 0.554 348 N N -0.013 118.784 118.700 0.162 0.000 2.149 348 N HA -0.169 4.575 4.740 0.007 0.000 0.188 348 N C 1.375 176.916 175.510 0.051 0.000 1.019 348 N CA 1.384 54.495 53.050 0.101 0.000 0.857 348 N CB -0.221 38.328 38.487 0.103 0.000 0.997 348 N HN 0.097 nan 8.380 nan 0.000 0.426 349 I N 1.332 121.894 120.570 -0.013 0.000 2.286 349 I HA -0.130 4.044 4.170 0.007 0.000 0.245 349 I C 2.014 178.089 176.117 -0.070 0.000 1.104 349 I CA 0.919 62.130 61.300 -0.147 0.000 1.397 349 I CB -0.851 36.926 38.000 -0.371 0.000 1.072 349 I HN 0.194 nan 8.210 nan 0.000 0.417 350 E N 0.679 120.879 120.200 -0.001 0.000 2.049 350 E HA -0.279 4.075 4.350 0.007 0.000 0.198 350 E C 2.303 178.964 176.600 0.103 0.000 1.007 350 E CA 1.705 58.154 56.400 0.083 0.000 0.809 350 E CB -0.277 29.544 29.700 0.201 0.000 0.749 350 E HN 0.484 nan 8.360 nan 0.000 0.450 351 A N 0.846 123.732 122.820 0.109 0.000 1.908 351 A HA -0.223 4.102 4.320 0.007 0.000 0.218 351 A C 2.496 180.121 177.584 0.068 0.000 1.181 351 A CA 1.534 53.622 52.037 0.085 0.000 0.627 351 A CB -0.876 18.157 19.000 0.056 0.000 0.818 351 A HN 0.377 nan 8.150 nan 0.000 0.445 352 C N -0.654 118.688 119.300 0.070 0.000 2.440 352 C HA -0.052 4.413 4.460 0.007 0.000 0.278 352 C C 2.351 177.406 174.990 0.109 0.000 1.295 352 C CA 0.898 59.968 59.018 0.087 0.000 1.738 352 C CB -1.094 26.712 27.740 0.110 0.000 1.987 352 C HN 0.594 nan 8.230 nan 0.000 0.492 353 D N 0.531 121.003 120.400 0.120 0.000 2.117 353 D HA -0.090 4.554 4.640 0.007 0.000 0.198 353 D C 2.216 178.581 176.300 0.109 0.000 0.982 353 D CA 1.483 55.566 54.000 0.139 0.000 0.828 353 D CB -0.694 40.195 40.800 0.149 0.000 0.967 353 D HN 0.382 nan 8.370 nan 0.000 0.464 354 T N 0.827 115.442 114.554 0.102 0.000 2.759 354 T HA -0.142 4.212 4.350 0.007 0.000 0.269 354 T C 1.951 176.701 174.700 0.083 0.000 1.042 354 T CA 1.501 63.660 62.100 0.097 0.000 1.140 354 T CB -0.208 68.729 68.868 0.115 0.000 0.864 354 T HN 0.194 nan 8.240 nan 0.000 0.455 355 A N 2.514 125.378 122.820 0.074 0.000 1.855 355 A HA -0.149 4.175 4.320 0.007 0.000 0.215 355 A C 2.206 179.825 177.584 0.059 0.000 1.191 355 A CA 1.959 54.032 52.037 0.061 0.000 0.613 355 A CB -0.485 18.546 19.000 0.051 0.000 0.829 355 A HN 0.696 nan 8.150 nan 0.000 0.442 356 K N -0.343 120.095 120.400 0.063 0.000 2.057 356 K HA -0.207 4.118 4.320 0.007 0.000 0.207 356 K C 2.207 178.837 176.600 0.051 0.000 1.049 356 K CA 1.517 57.835 56.287 0.051 0.000 0.931 356 K CB -0.448 32.079 32.500 0.046 0.000 0.714 356 K HN 0.565 nan 8.250 nan 0.000 0.440 357 Q N 0.988 120.827 119.800 0.066 0.000 2.045 357 Q HA -0.211 4.134 4.340 0.007 0.000 0.206 357 Q C 2.254 178.286 176.000 0.053 0.000 0.991 357 Q CA 2.047 57.890 55.803 0.066 0.000 0.851 357 Q CB -0.282 28.505 28.738 0.081 0.000 0.911 357 Q HN 0.497 nan 8.270 nan 0.000 0.418 358 A N 0.375 123.229 122.820 0.056 0.000 1.898 358 A HA -0.120 4.204 4.320 0.007 0.000 0.216 358 A C 2.047 179.655 177.584 0.039 0.000 1.181 358 A CA 1.079 53.145 52.037 0.048 0.000 0.620 358 A CB -0.600 18.433 19.000 0.056 0.000 0.819 358 A HN 0.461 nan 8.150 nan 0.000 0.442 359 L N -0.411 120.837 121.223 0.042 0.000 2.109 359 L HA -0.114 4.230 4.340 0.007 0.000 0.207 359 L C 2.276 179.168 176.870 0.036 0.000 1.086 359 L CA 0.556 55.418 54.840 0.037 0.000 0.760 359 L CB -0.301 41.781 42.059 0.038 0.000 0.910 359 L HN 0.303 nan 8.230 nan 0.000 0.437 360 I N 0.016 120.608 120.570 0.037 0.000 2.353 360 I HA -0.128 4.047 4.170 0.007 0.000 0.248 360 I C 2.629 178.771 176.117 0.042 0.000 1.119 360 I CA 1.413 62.743 61.300 0.050 0.000 1.417 360 I CB -1.757 36.265 38.000 0.036 0.000 1.078 360 I HN 0.205 nan 8.210 nan 0.000 0.421 361 G N 0.738 109.549 108.800 0.018 0.000 2.450 361 G HA2 -0.236 3.729 3.960 0.007 0.000 0.220 361 G HA3 -0.236 3.729 3.960 0.007 0.000 0.220 361 G C 1.517 176.407 174.900 -0.016 0.000 1.130 361 G CA 0.390 45.484 45.100 -0.010 0.000 0.760 361 G HN 0.356 nan 8.290 nan 0.000 0.557 362 M N 1.019 120.621 119.600 0.004 0.000 2.505 362 M HA 0.168 4.652 4.480 0.007 0.000 0.230 362 M C 0.250 176.553 176.300 0.004 0.000 1.153 362 M CA -0.158 55.143 55.300 0.001 0.000 0.997 362 M CB 0.324 32.931 32.600 0.011 0.000 1.606 362 M HN 0.049 nan 8.290 nan 0.000 0.481 363 D N 1.519 121.928 120.400 0.015 0.000 2.520 363 D HA -0.029 4.615 4.640 0.007 0.000 0.243 363 D C 1.135 177.432 176.300 -0.004 0.000 1.160 363 D CA 1.695 55.715 54.000 0.033 0.000 0.877 363 D CB 0.703 41.563 40.800 0.100 0.000 1.150 363 D HN 0.630 nan 8.370 nan 0.000 0.494 364 G N 3.569 112.371 108.800 0.003 0.000 2.184 364 G HA2 -0.343 3.621 3.960 0.007 0.000 0.264 364 G HA3 -0.343 3.621 3.960 0.007 0.000 0.264 364 G C 1.061 175.952 174.900 -0.014 0.000 0.975 364 G CA 0.440 45.534 45.100 -0.011 0.000 0.642 364 G HN 0.558 nan 8.290 nan 0.000 0.536 365 L N 0.195 121.411 121.223 -0.011 0.000 2.034 365 L HA -0.064 4.280 4.340 0.007 0.000 0.217 365 L C 2.670 179.535 176.870 -0.008 0.000 1.077 365 L CA 3.048 57.882 54.840 -0.010 0.000 0.769 365 L CB -0.346 41.710 42.059 -0.004 0.000 0.890 365 L HN 0.377 nan 8.230 nan 0.000 0.435 366 M N -1.125 118.472 119.600 -0.005 0.000 2.619 366 M HA -0.047 4.438 4.480 0.007 0.000 0.251 366 M C 1.316 177.613 176.300 -0.006 0.000 1.106 366 M CA 0.626 55.923 55.300 -0.004 0.000 1.086 366 M CB -1.157 31.441 32.600 -0.003 0.000 1.465 366 M HN 0.240 nan 8.290 nan 0.000 0.506 367 D N -0.234 120.161 120.400 -0.008 0.000 2.317 367 D HA 0.025 4.669 4.640 0.007 0.000 0.211 367 D C 1.752 178.046 176.300 -0.010 0.000 0.966 367 D CA 0.897 54.892 54.000 -0.009 0.000 0.876 367 D CB 0.266 41.059 40.800 -0.012 0.000 0.927 367 D HN 0.388 nan 8.370 nan 0.000 0.519 368 M N -0.443 119.150 119.600 -0.011 0.000 2.338 368 M HA 0.107 4.592 4.480 0.007 0.000 0.276 368 M C -0.085 176.211 176.300 -0.007 0.000 1.057 368 M CA 0.213 55.507 55.300 -0.011 0.000 1.079 368 M CB 2.225 34.816 32.600 -0.016 0.000 1.547 368 M HN -0.318 nan 8.290 nan 0.000 0.549 369 V N 1.296 121.207 119.914 -0.005 0.000 2.823 369 V HA 0.437 4.561 4.120 0.007 0.000 0.312 369 V C -0.771 175.323 176.094 -0.000 0.000 1.072 369 V CA -0.706 61.593 62.300 -0.001 0.000 0.937 369 V CB 2.063 33.886 31.823 0.000 0.000 1.013 369 V HN 0.335 nan 8.190 nan 0.000 0.430 370 Q N 3.202 123.003 119.800 0.002 0.000 2.495 370 Q HA 0.745 5.089 4.340 0.007 0.000 0.287 370 Q C -1.549 174.453 176.000 0.004 0.000 1.078 370 Q CA -1.005 54.799 55.803 0.002 0.000 0.793 370 Q CB 2.384 31.123 28.738 0.001 0.000 1.459 370 Q HN 0.541 nan 8.270 nan 0.000 0.422 371 L N 1.295 122.519 121.223 0.002 0.000 2.397 371 L HA 0.280 4.624 4.340 0.007 0.000 0.271 371 L C 0.034 176.906 176.870 0.004 0.000 1.148 371 L CA -0.379 54.463 54.840 0.002 0.000 0.825 371 L CB 0.501 42.559 42.059 -0.001 0.000 1.117 371 L HN 0.629 nan 8.230 nan 0.000 0.456 372 K N 2.342 122.745 120.400 0.005 0.000 2.333 372 K HA 0.075 4.400 4.320 0.007 0.000 0.241 372 K C 0.864 177.466 176.600 0.003 0.000 1.193 372 K CA -0.312 55.979 56.287 0.007 0.000 1.142 372 K CB 0.339 32.846 32.500 0.012 0.000 1.731 372 K HN 0.287 nan 8.250 nan 0.000 0.344 373 R N 1.547 122.048 120.500 0.003 0.000 2.105 373 R HA -0.149 4.196 4.340 0.007 0.000 0.239 373 R C 0.494 176.798 176.300 0.006 0.000 1.135 373 R CA 1.757 57.859 56.100 0.003 0.000 0.967 373 R CB -0.317 29.985 30.300 0.004 0.000 0.861 373 R HN 0.545 nan 8.270 nan 0.000 0.442 374 E N -0.487 119.717 120.200 0.008 0.000 2.227 374 E HA 0.539 4.893 4.350 0.007 0.000 0.282 374 E C 0.433 177.041 176.600 0.012 0.000 1.015 374 E CA -0.196 56.211 56.400 0.011 0.000 0.823 374 E CB 0.558 30.265 29.700 0.011 0.000 1.081 374 E HN 0.587 nan 8.360 nan 0.000 0.396 375 G N -0.592 108.217 108.800 0.014 0.000 2.331 375 G HA2 0.050 4.014 3.960 0.007 0.000 0.402 375 G HA3 0.050 4.014 3.960 0.007 0.000 0.402 375 G C 0.882 175.791 174.900 0.015 0.000 1.275 375 G CA 0.296 45.406 45.100 0.018 0.000 1.003 375 G HN 1.542 nan 8.290 nan 0.000 0.500 376 V N 0.121 120.046 119.914 0.018 0.000 2.720 376 V HA -0.017 4.108 4.120 0.007 0.000 0.256 376 V C 2.659 178.733 176.094 -0.034 0.000 1.082 376 V CA 2.975 65.281 62.300 0.011 0.000 1.101 376 V CB -0.345 31.504 31.823 0.043 0.000 0.693 376 V HN 1.074 nan 8.190 nan 0.000 0.479 377 L N 1.378 122.571 121.223 -0.049 0.000 2.005 377 L HA 0.126 4.470 4.340 0.007 0.000 0.207 377 L C 2.454 179.312 176.870 -0.020 0.000 1.072 377 L CA 2.621 57.423 54.840 -0.064 0.000 0.744 377 L CB -1.526 40.501 42.059 -0.053 0.000 0.895 377 L HN 0.286 nan 8.230 nan 0.000 0.433 378 G N -1.156 107.642 108.800 -0.003 0.000 2.450 378 G HA2 -0.265 3.700 3.960 0.007 0.000 0.220 378 G HA3 -0.265 3.700 3.960 0.007 0.000 0.220 378 G C 1.229 176.143 174.900 0.024 0.000 1.130 378 G CA 0.892 45.999 45.100 0.013 0.000 0.760 378 G HN 0.459 nan 8.290 nan 0.000 0.557 379 D N 0.236 120.650 120.400 0.023 0.000 2.144 379 D HA -0.054 4.591 4.640 0.007 0.000 0.200 379 D C 2.642 178.971 176.300 0.049 0.000 0.978 379 D CA 1.392 55.413 54.000 0.035 0.000 0.833 379 D CB -0.368 40.454 40.800 0.036 0.000 0.961 379 D HN 0.261 nan 8.370 nan 0.000 0.470 380 T N 0.351 114.928 114.554 0.039 0.000 2.896 380 T HA -0.023 4.331 4.350 0.007 0.000 0.263 380 T C 2.325 177.079 174.700 0.089 0.000 1.050 380 T CA 0.291 62.431 62.100 0.067 0.000 1.140 380 T CB -0.185 68.705 68.868 0.036 0.000 0.877 380 T HN -0.053 nan 8.240 nan 0.000 0.457 381 V N 2.152 122.106 119.914 0.066 0.000 2.252 381 V HA -0.239 3.886 4.120 0.007 0.000 0.249 381 V C 2.707 178.854 176.094 0.089 0.000 1.056 381 V CA 1.974 64.321 62.300 0.079 0.000 1.022 381 V CB -0.593 31.260 31.823 0.050 0.000 0.641 381 V HN 0.284 nan 8.190 nan 0.000 0.445 382 R N 0.718 121.260 120.500 0.070 0.000 2.091 382 R HA -0.218 4.127 4.340 0.007 0.000 0.238 382 R C 2.252 178.600 176.300 0.081 0.000 1.136 382 R CA 2.326 58.467 56.100 0.068 0.000 0.959 382 R CB -0.718 29.613 30.300 0.051 0.000 0.856 382 R HN 0.721 nan 8.270 nan 0.000 0.437 383 E N 0.017 120.271 120.200 0.090 0.000 2.038 383 E HA -0.209 4.145 4.350 0.007 0.000 0.195 383 E C 1.968 178.645 176.600 0.129 0.000 1.000 383 E CA 1.769 58.229 56.400 0.101 0.000 0.803 383 E CB -0.328 29.441 29.700 0.115 0.000 0.750 383 E HN 0.436 nan 8.360 nan 0.000 0.448 384 L N 0.502 121.827 121.223 0.169 0.000 2.081 384 L HA -0.238 4.106 4.340 0.007 0.000 0.212 384 L C 2.702 179.687 176.870 0.193 0.000 1.080 384 L CA 1.728 56.698 54.840 0.217 0.000 0.754 384 L CB -0.378 41.846 42.059 0.275 0.000 0.893 384 L HN 0.147 nan 8.230 nan 0.000 0.433 385 K N -0.157 120.337 120.400 0.157 0.000 2.001 385 K HA -0.170 4.154 4.320 0.007 0.000 0.208 385 K C 2.007 178.679 176.600 0.119 0.000 1.048 385 K CA 1.408 57.776 56.287 0.135 0.000 0.932 385 K CB -0.166 32.396 32.500 0.102 0.000 0.715 385 K HN 0.311 nan 8.250 nan 0.000 0.437 386 E N 0.708 120.968 120.200 0.101 0.000 2.065 386 E HA -0.240 4.114 4.350 0.007 0.000 0.201 386 E C 2.132 178.801 176.600 0.115 0.000 1.016 386 E CA 1.427 57.881 56.400 0.089 0.000 0.818 386 E CB -0.087 29.653 29.700 0.066 0.000 0.749 386 E HN 0.219 nan 8.360 nan 0.000 0.453 387 R N 0.239 120.813 120.500 0.124 0.000 2.091 387 R HA -0.164 4.180 4.340 0.007 0.000 0.238 387 R C 2.390 178.846 176.300 0.260 0.000 1.136 387 R CA 1.189 57.397 56.100 0.180 0.000 0.959 387 R CB -0.366 30.004 30.300 0.117 0.000 0.856 387 R HN 0.147 nan 8.270 nan 0.000 0.437 388 A N 0.645 123.588 122.820 0.205 0.000 1.877 388 A HA -0.123 4.202 4.320 0.007 0.000 0.216 388 A C 2.380 180.058 177.584 0.157 0.000 1.186 388 A CA 1.453 53.594 52.037 0.175 0.000 0.620 388 A CB -0.651 18.447 19.000 0.163 0.000 0.822 388 A HN 0.122 nan 8.150 nan 0.000 0.443 389 V N 0.253 120.250 119.914 0.138 0.000 2.332 389 V HA -0.289 3.835 4.120 0.007 0.000 0.248 389 V C 2.582 178.761 176.094 0.141 0.000 1.055 389 V CA 2.141 64.510 62.300 0.115 0.000 1.038 389 V CB -0.799 31.076 31.823 0.087 0.000 0.651 389 V HN 0.577 nan 8.190 nan 0.000 0.450 390 L N -1.540 119.789 121.223 0.177 0.000 2.131 390 L HA -0.174 4.170 4.340 0.007 0.000 0.210 390 L C 2.308 179.336 176.870 0.262 0.000 1.092 390 L CA 1.638 56.605 54.840 0.212 0.000 0.759 390 L CB -0.637 41.551 42.059 0.216 0.000 0.903 390 L HN 0.281 nan 8.230 nan 0.000 0.435 391 F N 0.286 120.209 119.950 -0.045 0.000 2.095 391 F HA -0.305 4.227 4.527 0.007 0.000 0.298 391 F C 2.569 178.271 175.800 -0.163 0.000 1.104 391 F CA 1.529 59.182 58.000 -0.579 0.000 1.232 391 F CB 0.027 38.575 39.000 -0.752 0.000 0.987 391 F HN -0.030 nan 8.300 nan 0.000 0.475 392 M N -0.475 119.268 119.600 0.238 0.000 2.200 392 M HA -0.177 4.307 4.480 0.007 0.000 0.265 392 M C 1.916 178.311 176.300 0.158 0.000 1.066 392 M CA 1.497 56.911 55.300 0.190 0.000 1.127 392 M CB -0.459 32.215 32.600 0.122 0.000 1.379 392 M HN 0.145 nan 8.290 nan 0.000 0.420 393 E N 0.275 120.557 120.200 0.137 0.000 2.110 393 E HA -0.230 4.125 4.350 0.007 0.000 0.193 393 E C 1.867 178.543 176.600 0.126 0.000 0.988 393 E CA 1.134 57.600 56.400 0.110 0.000 0.804 393 E CB -0.059 29.696 29.700 0.092 0.000 0.745 393 E HN 0.486 nan 8.360 nan 0.000 0.458 394 E N 0.557 120.852 120.200 0.159 0.000 2.106 394 E HA -0.159 4.195 4.350 0.007 0.000 0.192 394 E C 2.062 178.835 176.600 0.287 0.000 0.984 394 E CA 0.504 57.019 56.400 0.193 0.000 0.806 394 E CB 0.057 29.844 29.700 0.146 0.000 0.750 394 E HN 0.236 nan 8.360 nan 0.000 0.458 395 I N 0.857 121.600 120.570 0.288 0.000 2.163 395 I HA -0.320 3.855 4.170 0.007 0.000 0.243 395 I C 2.326 178.493 176.117 0.084 0.000 1.085 395 I CA 1.096 62.509 61.300 0.188 0.000 1.347 395 I CB -0.211 37.924 38.000 0.226 0.000 1.044 395 I HN 0.197 nan 8.210 nan 0.000 0.408 396 I N 0.481 121.108 120.570 0.095 0.000 2.179 396 I HA -0.309 3.865 4.170 0.007 0.000 0.242 396 I C 2.639 178.783 176.117 0.046 0.000 1.088 396 I CA 1.559 62.892 61.300 0.055 0.000 1.357 396 I CB -0.424 37.609 38.000 0.055 0.000 1.051 396 I HN 0.300 nan 8.210 nan 0.000 0.409 397 E N 1.541 121.784 120.200 0.071 0.000 2.153 397 E HA -0.234 4.121 4.350 0.007 0.000 0.194 397 E C 2.068 178.698 176.600 0.050 0.000 0.988 397 E CA 1.224 57.660 56.400 0.060 0.000 0.811 397 E CB -0.027 29.716 29.700 0.072 0.000 0.746 397 E HN 0.492 nan 8.360 nan 0.000 0.466 398 A N 0.126 122.977 122.820 0.052 0.000 2.239 398 A HA 0.167 4.491 4.320 0.007 0.000 0.209 398 A C 1.648 179.207 177.584 -0.043 0.000 1.171 398 A CA 0.985 53.016 52.037 -0.009 0.000 0.768 398 A CB -0.513 18.416 19.000 -0.117 0.000 0.790 398 A HN 0.526 nan 8.150 nan 0.000 0.478 399 G N -2.761 106.024 108.800 -0.024 0.000 2.130 399 G HA2 0.341 4.305 3.960 0.007 0.000 0.216 399 G HA3 0.341 4.305 3.960 0.007 0.000 0.216 399 G C 1.131 176.005 174.900 -0.044 0.000 0.999 399 G CA 0.342 45.426 45.100 -0.027 0.000 0.686 399 G HN 2.435 nan 8.290 nan 0.000 0.515 400 G N -2.021 106.750 108.800 -0.048 0.000 2.498 400 G HA2 0.191 4.155 3.960 0.007 0.000 0.651 400 G HA3 0.191 4.155 3.960 0.007 0.000 0.651 400 G C 0.235 175.103 174.900 -0.052 0.000 1.284 400 G CA 0.392 45.459 45.100 -0.055 0.000 0.950 400 G HN 1.454 nan 8.290 nan 0.000 0.511 401 Y N 0.181 120.368 120.300 -0.189 0.000 2.114 401 Y HA -0.036 4.518 4.550 0.007 0.000 0.282 401 Y C 2.735 178.646 175.900 0.019 0.000 1.165 401 Y CA 3.120 61.145 58.100 -0.124 0.000 1.148 401 Y CB -0.297 37.977 38.460 -0.310 0.000 0.972 401 Y HN 0.459 nan 8.280 nan 0.000 0.504 402 F N 0.529 120.381 119.950 -0.163 0.000 2.102 402 F HA -0.212 4.319 4.527 0.007 0.000 0.298 402 F C 2.259 177.911 175.800 -0.246 0.000 1.105 402 F CA 1.323 59.198 58.000 -0.208 0.000 1.239 402 F CB -1.425 37.516 39.000 -0.098 0.000 0.991 402 F HN 0.138 nan 8.300 nan 0.000 0.474 403 N N 0.508 119.201 118.700 -0.012 0.000 2.069 403 N HA -0.162 4.582 4.740 0.007 0.000 0.191 403 N C 2.074 177.384 175.510 -0.334 0.000 1.031 403 N CA 1.574 54.541 53.050 -0.137 0.000 0.852 403 N CB -0.872 37.544 38.487 -0.118 0.000 1.018 403 N HN 0.224 nan 8.380 nan 0.000 0.423 404 A N 0.902 123.430 122.820 -0.486 0.000 1.873 404 A HA -0.141 4.183 4.320 0.007 0.000 0.218 404 A C 2.534 179.767 177.584 -0.585 0.000 1.193 404 A CA 1.908 53.370 52.037 -0.959 0.000 0.629 404 A CB -1.003 17.598 19.000 -0.665 0.000 0.826 404 A HN 0.121 nan 8.150 nan 0.000 0.447 405 V N 0.113 119.838 119.914 -0.315 0.000 2.343 405 V HA -0.260 3.864 4.120 0.007 0.000 0.247 405 V C 2.431 178.459 176.094 -0.110 0.000 1.051 405 V CA 2.191 64.414 62.300 -0.128 0.000 1.036 405 V CB -0.854 30.781 31.823 -0.313 0.000 0.654 405 V HN 0.590 nan 8.190 nan 0.000 0.451 406 E N -0.100 120.007 120.200 -0.155 0.000 2.153 406 E HA -0.225 4.129 4.350 0.007 0.000 0.194 406 E C 2.071 178.627 176.600 -0.072 0.000 0.988 406 E CA 1.054 57.391 56.400 -0.105 0.000 0.811 406 E CB -0.076 29.563 29.700 -0.101 0.000 0.746 406 E HN 0.691 nan 8.360 nan 0.000 0.466 407 Q N -0.759 118.974 119.800 -0.112 0.000 2.365 407 Q HA 0.091 4.435 4.340 0.007 0.000 0.203 407 Q C 0.754 176.854 176.000 0.166 0.000 0.929 407 Q CA 0.364 56.172 55.803 0.009 0.000 0.948 407 Q CB 0.767 29.511 28.738 0.010 0.000 1.043 407 Q HN 0.348 nan 8.270 nan 0.000 0.505 408 G N 0.337 109.211 108.800 0.123 0.000 2.147 408 G HA2 -0.267 3.698 3.960 0.007 0.000 0.244 408 G HA3 -0.267 3.698 3.960 0.007 0.000 0.244 408 G C 0.307 175.367 174.900 0.266 0.000 1.005 408 G CA 0.011 45.212 45.100 0.168 0.000 0.713 408 G HN 0.355 nan 8.290 nan 0.000 0.515 409 F N -0.413 119.475 119.950 -0.102 0.000 2.307 409 F HA 0.256 4.787 4.527 0.007 0.000 0.301 409 F C 1.493 177.139 175.800 -0.256 0.000 1.076 409 F CA 0.155 57.993 58.000 -0.270 0.000 1.383 409 F CB -0.471 38.261 39.000 -0.447 0.000 1.055 409 F HN 0.227 nan 8.300 nan 0.000 0.526 410 F N -1.762 118.345 119.950 0.262 0.000 2.470 410 F HA 0.458 4.989 4.527 0.007 0.000 0.329 410 F C 0.959 176.816 175.800 0.094 0.000 1.072 410 F CA -1.212 56.896 58.000 0.179 0.000 0.989 410 F CB 1.215 40.259 39.000 0.073 0.000 1.193 410 F HN -0.392 nan 8.300 nan 0.000 0.481 411 V N -0.027 120.066 119.914 0.298 0.000 4.032 411 V HA -0.281 3.843 4.120 0.007 0.000 0.231 411 V C -0.275 175.894 176.094 0.126 0.000 0.429 411 V CA 0.924 63.337 62.300 0.187 0.000 0.934 411 V CB -2.319 29.582 31.823 0.130 0.000 1.004 411 V HN 0.964 nan 8.190 nan 0.000 1.283 412 D N 0.814 121.287 120.400 0.122 0.000 2.256 412 D HA 0.367 5.011 4.640 0.007 0.000 0.250 412 D C 1.367 177.697 176.300 0.051 0.000 1.093 412 D CA 0.510 54.549 54.000 0.065 0.000 0.882 412 D CB 1.927 42.747 40.800 0.033 0.000 1.185 412 D HN 0.516 nan 8.370 nan 0.000 0.437 413 S N 1.979 117.688 115.700 0.014 0.000 2.555 413 S HA 0.057 4.532 4.470 0.007 0.000 0.230 413 S C 1.160 175.744 174.600 -0.027 0.000 0.978 413 S CA -0.184 58.004 58.200 -0.020 0.000 0.934 413 S CB -0.036 63.142 63.200 -0.036 0.000 0.766 413 S HN 0.467 nan 8.310 nan 0.000 0.533 414 G N 0.571 109.370 108.800 -0.001 0.000 2.594 414 G HA2 0.306 4.270 3.960 0.007 0.000 0.243 414 G HA3 0.306 4.270 3.960 0.007 0.000 0.243 414 G C -0.841 174.115 174.900 0.093 0.000 1.229 414 G CA -0.611 44.495 45.100 0.010 0.000 0.843 414 G HN 0.387 nan 8.290 nan 0.000 0.578 415 Y N 2.447 122.713 120.300 -0.056 0.000 2.650 415 Y HA 0.328 4.882 4.550 0.007 0.000 0.343 415 Y C 0.161 176.066 175.900 0.008 0.000 1.078 415 Y CA -2.095 55.999 58.100 -0.011 0.000 1.356 415 Y CB -0.775 37.671 38.460 -0.022 0.000 1.204 415 Y HN 0.484 nan 8.280 nan 0.000 0.508 416 Y N 8.846 129.088 120.300 -0.097 0.000 2.993 416 Y HA 0.001 4.555 4.550 0.007 0.000 0.340 416 Y C -1.257 174.435 175.900 -0.348 0.000 1.273 416 Y CA -1.000 56.968 58.100 -0.219 0.000 1.545 416 Y CB 0.786 39.186 38.460 -0.099 0.000 1.275 416 Y HN 0.529 nan 8.280 nan 0.000 0.617 417 P HA -0.101 nan 4.420 nan 0.000 0.245 417 P C -0.347 176.458 177.300 -0.825 0.000 1.212 417 P CA 0.527 62.604 63.100 -1.705 0.000 0.774 417 P CB -0.068 30.933 31.700 -1.166 0.000 0.999 418 E N 1.632 121.549 120.200 -0.471 0.000 2.413 418 E HA 0.042 4.397 4.350 0.007 0.000 0.263 418 E C -0.130 176.334 176.600 -0.227 0.000 1.015 418 E CA -0.271 55.970 56.400 -0.265 0.000 0.916 418 E CB 0.482 30.105 29.700 -0.128 0.000 0.947 418 E HN -0.028 nan 8.360 nan 0.000 0.440 419 R N 4.063 124.448 120.500 -0.192 0.000 2.510 419 R HA 0.207 4.551 4.340 0.007 0.000 0.294 419 R C -0.724 175.513 176.300 -0.105 0.000 1.056 419 R CA -0.590 55.416 56.100 -0.156 0.000 0.918 419 R CB 0.620 30.782 30.300 -0.231 0.000 1.187 419 R HN 0.502 nan 8.270 nan 0.000 0.437 420 N N 2.582 121.241 118.700 -0.067 0.000 2.336 420 N HA 0.095 4.839 4.740 0.007 0.000 0.189 420 N C 0.673 176.161 175.510 -0.037 0.000 1.113 420 N CA 0.926 53.947 53.050 -0.047 0.000 0.858 420 N CB 1.041 39.508 38.487 -0.034 0.000 0.970 420 N HN 0.952 nan 8.380 nan 0.000 0.471 421 G N 2.108 110.884 108.800 -0.041 0.000 2.198 421 G HA2 -0.262 3.702 3.960 0.007 0.000 0.260 421 G HA3 -0.262 3.702 3.960 0.007 0.000 0.260 421 G C -0.001 174.895 174.900 -0.007 0.000 1.025 421 G CA 0.636 45.721 45.100 -0.025 0.000 0.769 421 G HN 0.511 nan 8.290 nan 0.000 0.507 422 D N -0.383 120.016 120.400 -0.002 0.000 2.462 422 D HA 0.396 5.040 4.640 0.007 0.000 0.221 422 D C 1.355 177.669 176.300 0.022 0.000 1.173 422 D CA 0.344 54.348 54.000 0.007 0.000 0.831 422 D CB -0.271 40.531 40.800 0.003 0.000 1.001 422 D HN 0.615 nan 8.370 nan 0.000 0.499 423 G N 0.400 109.219 108.800 0.033 0.000 2.631 423 G HA2 0.407 4.372 3.960 0.007 0.000 0.271 423 G HA3 0.407 4.372 3.960 0.007 0.000 0.271 423 G C -0.087 174.841 174.900 0.048 0.000 1.302 423 G CA -0.554 44.582 45.100 0.059 0.000 1.002 423 G HN 0.163 nan 8.290 nan 0.000 0.519 424 I N 0.842 121.444 120.570 0.053 0.000 2.339 424 I HA 0.423 4.597 4.170 0.007 0.000 0.290 424 I C 0.310 176.436 176.117 0.015 0.000 0.994 424 I CA -0.637 60.672 61.300 0.015 0.000 1.191 424 I CB 1.047 39.036 38.000 -0.019 0.000 1.343 424 I HN 0.461 nan 8.210 nan 0.000 0.458 425 A N 8.097 130.917 122.820 -0.000 0.000 2.258 425 A HA 0.695 5.019 4.320 0.007 0.000 0.316 425 A C -0.180 177.380 177.584 -0.040 0.000 1.279 425 A CA -0.716 51.315 52.037 -0.009 0.000 0.876 425 A CB 0.601 19.599 19.000 -0.003 0.000 1.170 425 A HN 0.584 nan 8.150 nan 0.000 0.520 426 R N 2.185 122.648 120.500 -0.062 0.000 2.514 426 R HA 0.437 4.782 4.340 0.007 0.000 0.301 426 R C -1.018 175.222 176.300 -0.100 0.000 0.962 426 R CA -0.612 55.437 56.100 -0.085 0.000 0.882 426 R CB 1.482 31.720 30.300 -0.104 0.000 1.143 426 R HN 0.778 nan 8.270 nan 0.000 0.452 427 Q N 1.748 121.490 119.800 -0.097 0.000 2.274 427 Q HA 0.238 4.582 4.340 0.007 0.000 0.256 427 Q C 1.365 177.279 176.000 -0.144 0.000 0.927 427 Q CA -0.144 55.596 55.803 -0.104 0.000 0.939 427 Q CB 1.509 30.200 28.738 -0.079 0.000 1.201 427 Q HN 0.567 nan 8.270 nan 0.000 0.426 428 I N 2.036 122.501 120.570 -0.175 0.000 2.147 428 I HA -0.408 3.767 4.170 0.007 0.000 0.245 428 I C 1.241 177.238 176.117 -0.200 0.000 1.059 428 I CA 1.678 62.829 61.300 -0.247 0.000 1.320 428 I CB 0.158 38.047 38.000 -0.185 0.000 1.021 428 I HN 0.803 nan 8.210 nan 0.000 0.415 429 N N -0.204 118.416 118.700 -0.133 0.000 2.279 429 N HA 0.149 4.893 4.740 0.007 0.000 0.226 429 N C 0.130 175.586 175.510 -0.091 0.000 1.126 429 N CA 0.326 53.312 53.050 -0.107 0.000 0.846 429 N CB 0.090 38.528 38.487 -0.081 0.000 1.050 429 N HN 0.263 nan 8.380 nan 0.000 0.502 430 G N -1.509 107.232 108.800 -0.097 0.000 2.644 430 G HA2 0.690 4.655 3.960 0.007 0.000 0.307 430 G HA3 0.690 4.655 3.960 0.007 0.000 0.307 430 G C 0.077 174.933 174.900 -0.073 0.000 1.250 430 G CA -0.195 44.859 45.100 -0.077 0.000 0.996 430 G HN 0.470 nan 8.290 nan 0.000 0.489 431 G N -1.121 107.645 108.800 -0.057 0.000 2.728 431 G HA2 0.028 3.992 3.960 0.007 0.000 0.294 431 G HA3 0.028 3.992 3.960 0.007 0.000 0.294 431 G C -0.314 174.566 174.900 -0.034 0.000 1.342 431 G CA -0.436 44.636 45.100 -0.046 0.000 0.866 431 G HN 0.909 nan 8.290 nan 0.000 0.534 432 I N 2.041 122.604 120.570 -0.013 0.000 2.505 432 I HA 0.409 4.584 4.170 0.007 0.000 0.287 432 I C 1.726 177.849 176.117 0.009 0.000 1.104 432 I CA 1.686 62.989 61.300 0.005 0.000 1.387 432 I CB -0.433 37.599 38.000 0.053 0.000 1.404 432 I HN 2.298 nan 8.210 nan 0.000 0.528 433 G N 4.819 113.621 108.800 0.003 0.000 2.134 433 G HA2 -0.120 3.845 3.960 0.007 0.000 0.209 433 G HA3 -0.120 3.845 3.960 0.007 0.000 0.209 433 G C 0.497 175.385 174.900 -0.021 0.000 0.993 433 G CA -0.087 45.017 45.100 0.007 0.000 0.669 433 G HN 1.012 nan 8.290 nan 0.000 0.519 434 A N -0.110 122.687 122.820 -0.039 0.000 2.546 434 A HA 0.631 4.955 4.320 0.007 0.000 0.243 434 A C 2.013 179.553 177.584 -0.074 0.000 1.063 434 A CA 1.951 53.950 52.037 -0.064 0.000 0.757 434 A CB -0.020 18.940 19.000 -0.066 0.000 0.991 434 A HN 2.391 nan 8.150 nan 0.000 0.503 435 G N 1.454 110.188 108.800 -0.109 0.000 2.157 435 G HA2 -0.206 3.759 3.960 0.007 0.000 0.248 435 G HA3 -0.206 3.759 3.960 0.007 0.000 0.248 435 G C 0.635 175.387 174.900 -0.246 0.000 0.979 435 G CA 1.192 46.200 45.100 -0.154 0.000 0.650 435 G HN 2.129 nan 8.290 nan 0.000 0.529 436 T N -1.999 112.433 114.554 -0.202 0.000 3.214 436 T HA 0.596 4.950 4.350 0.007 0.000 0.264 436 T C 0.335 174.875 174.700 -0.266 0.000 1.012 436 T CA 0.267 62.250 62.100 -0.194 0.000 0.901 436 T CB 0.881 69.773 68.868 0.039 0.000 1.070 436 T HN 0.658 nan 8.240 nan 0.000 0.561 437 V N 1.911 121.587 119.914 -0.396 0.000 2.427 437 V HA 0.609 4.733 4.120 0.007 0.000 0.286 437 V C -0.852 174.973 176.094 -0.449 0.000 1.034 437 V CA -0.948 61.215 62.300 -0.228 0.000 0.893 437 V CB 0.746 32.518 31.823 -0.084 0.000 0.982 437 V HN 0.435 nan 8.190 nan 0.000 0.452 438 F N 1.754 121.733 119.950 0.049 0.000 2.518 438 F HA 0.408 4.940 4.527 0.007 0.000 0.323 438 F C 0.431 176.253 175.800 0.037 0.000 1.129 438 F CA -0.643 57.386 58.000 0.048 0.000 0.920 438 F CB 1.549 40.587 39.000 0.064 0.000 1.160 438 F HN 0.497 nan 8.300 nan 0.000 0.440 439 E N 3.424 123.735 120.200 0.185 0.000 2.442 439 E HA 0.079 4.433 4.350 0.007 0.000 0.262 439 E C -0.216 176.454 176.600 0.117 0.000 1.004 439 E CA -0.324 56.141 56.400 0.108 0.000 0.928 439 E CB 0.660 30.405 29.700 0.074 0.000 0.937 439 E HN 0.543 nan 8.360 nan 0.000 0.446 440 R N 3.528 124.053 120.500 0.041 0.000 2.347 440 R HA 0.091 4.435 4.340 0.007 0.000 0.304 440 R C -0.397 175.953 176.300 0.084 0.000 1.072 440 R CA -0.533 55.592 56.100 0.041 0.000 0.980 440 R CB 0.447 30.705 30.300 -0.070 0.000 0.986 440 R HN 0.466 nan 8.270 nan 0.000 0.448 441 D N 1.961 122.465 120.400 0.174 0.000 2.358 441 D HA -0.082 4.563 4.640 0.007 0.000 0.244 441 D C 1.299 177.713 176.300 0.190 0.000 1.163 441 D CA -0.177 53.905 54.000 0.137 0.000 0.945 441 D CB 0.696 41.577 40.800 0.135 0.000 1.152 441 D HN 0.529 nan 8.370 nan 0.000 0.451 442 E N 1.230 121.500 120.200 0.118 0.000 2.273 442 E HA -0.226 4.128 4.350 0.007 0.000 0.198 442 E C 0.131 176.908 176.600 0.296 0.000 1.002 442 E CA 1.151 57.652 56.400 0.168 0.000 0.828 442 E CB 0.083 29.829 29.700 0.078 0.000 0.747 442 E HN 0.525 nan 8.360 nan 0.000 0.491 443 D N -0.973 119.560 120.400 0.222 0.000 2.424 443 D HA -0.073 4.571 4.640 0.007 0.000 0.220 443 D C 0.258 176.665 176.300 0.178 0.000 1.150 443 D CA -0.716 53.379 54.000 0.159 0.000 0.831 443 D CB -1.325 39.516 40.800 0.068 0.000 0.981 443 D HN 0.125 nan 8.370 nan 0.000 0.500 444 Y N 1.651 122.059 120.300 0.181 0.000 2.712 444 Y HA 0.197 4.751 4.550 0.007 0.000 0.333 444 Y C 0.102 176.034 175.900 0.053 0.000 1.225 444 Y CA 0.266 58.451 58.100 0.141 0.000 1.499 444 Y CB 0.497 39.094 38.460 0.227 0.000 1.288 444 Y HN -0.035 nan 8.280 nan 0.000 0.575 445 M N 5.351 124.516 119.600 -0.725 0.000 2.470 445 M HA 0.666 5.150 4.480 0.007 0.000 0.285 445 M C -2.089 173.759 176.300 -0.753 0.000 1.213 445 M CA -0.616 54.385 55.300 -0.500 0.000 0.901 445 M CB 2.151 34.650 32.600 -0.168 0.000 1.718 445 M HN 0.747 nan 8.290 nan 0.000 0.469 446 A N 5.321 127.849 122.820 -0.487 0.000 2.446 446 A HA 0.797 5.122 4.320 0.007 0.000 0.282 446 A C -2.753 174.655 177.584 -0.295 0.000 1.102 446 A CA -0.983 50.786 52.037 -0.447 0.000 0.737 446 A CB 1.238 19.820 19.000 -0.697 0.000 1.212 446 A HN 0.492 nan 8.150 nan 0.000 0.434 447 P HA 0.335 nan 4.420 nan 0.000 0.206 447 P C -0.350 176.872 177.300 -0.130 0.000 1.854 447 P CA -0.008 62.991 63.100 -0.168 0.000 0.969 447 P CB -0.049 31.542 31.700 -0.182 0.000 1.843 448 V N -2.732 117.110 119.914 -0.119 0.000 3.160 448 V HA 0.696 4.820 4.120 0.007 0.000 0.310 448 V C -0.149 175.903 176.094 -0.071 0.000 1.181 448 V CA -0.880 61.364 62.300 -0.093 0.000 1.047 448 V CB 1.456 33.229 31.823 -0.084 0.000 1.068 448 V HN -0.005 nan 8.190 nan 0.000 0.441 449 T N 1.163 115.649 114.554 -0.112 0.000 2.904 449 T HA 0.636 4.990 4.350 0.007 0.000 0.290 449 T C 0.649 175.277 174.700 -0.120 0.000 1.018 449 T CA 0.546 62.570 62.100 -0.127 0.000 1.075 449 T CB 1.012 69.735 68.868 -0.242 0.000 0.986 449 T HN 2.507 nan 8.240 nan 0.000 0.523 450 A N 1.206 124.007 122.820 -0.032 0.000 2.734 450 A HA -0.166 4.159 4.320 0.007 0.000 0.296 450 A C -0.032 177.618 177.584 0.110 0.000 1.474 450 A CA 0.655 52.709 52.037 0.028 0.000 0.735 450 A CB -2.553 16.381 19.000 -0.110 0.000 1.062 450 A HN 1.021 nan 8.150 nan 0.000 0.463 451 H N -1.433 117.667 119.070 0.050 0.000 2.457 451 H HA 0.650 5.210 4.556 0.007 0.000 0.335 451 H C 0.463 175.876 175.328 0.142 0.000 1.115 451 H CA -0.149 55.957 56.048 0.097 0.000 1.219 451 H CB 0.504 30.314 29.762 0.078 0.000 1.471 451 H HN 0.452 nan 8.280 nan 0.000 0.491 452 F N 3.029 122.737 119.950 -0.403 0.000 2.220 452 F HA 0.306 4.837 4.527 0.007 0.000 0.290 452 F C 1.317 177.025 175.800 -0.154 0.000 1.080 452 F CA 0.948 58.827 58.000 -0.202 0.000 1.318 452 F CB -0.329 38.569 39.000 -0.170 0.000 1.063 452 F HN 0.642 nan 8.300 nan 0.000 0.498 453 G N -0.770 107.856 108.800 -0.290 0.000 2.684 453 G HA2 -0.026 3.938 3.960 0.007 0.000 0.255 453 G HA3 -0.026 3.938 3.960 0.007 0.000 0.255 453 G C -1.247 173.665 174.900 0.020 0.000 1.219 453 G CA -0.306 44.720 45.100 -0.124 0.000 0.901 453 G HN 0.404 nan 8.290 nan 0.000 0.548 454 Y N 0.843 121.100 120.300 -0.071 0.000 2.805 454 Y HA 0.101 4.656 4.550 0.007 0.000 0.331 454 Y C 0.059 176.057 175.900 0.163 0.000 1.241 454 Y CA 0.216 58.318 58.100 0.003 0.000 1.546 454 Y CB 0.311 38.759 38.460 -0.020 0.000 1.248 454 Y HN 0.403 nan 8.280 nan 0.000 0.559 455 N N 5.560 123.983 118.700 -0.462 0.000 2.549 455 N HA 0.109 4.853 4.740 0.007 0.000 0.281 455 N C -1.919 173.331 175.510 -0.432 0.000 1.084 455 N CA -0.663 52.255 53.050 -0.221 0.000 0.862 455 N CB 0.510 38.991 38.487 -0.009 0.000 1.333 455 N HN 0.692 nan 8.380 nan 0.000 0.523 456 N N 3.554 122.031 118.700 -0.372 0.000 2.415 456 N HA 0.129 4.873 4.740 0.007 0.000 0.250 456 N C 0.203 175.678 175.510 -0.058 0.000 1.127 456 N CA 0.104 53.024 53.050 -0.217 0.000 0.945 456 N CB 0.741 39.194 38.487 -0.056 0.000 1.196 456 N HN 0.307 nan 8.380 nan 0.000 0.499 457 V N 4.540 124.428 119.914 -0.044 0.000 3.048 457 V HA -0.061 4.064 4.120 0.007 0.000 0.241 457 V C 2.205 178.338 176.094 0.066 0.000 1.129 457 V CA 0.788 63.112 62.300 0.041 0.000 1.128 457 V CB -0.170 31.654 31.823 0.000 0.000 0.849 457 V HN 0.727 nan 8.190 nan 0.000 0.475 458 K N 1.692 122.098 120.400 0.010 0.000 2.218 458 K HA -0.306 4.018 4.320 0.007 0.000 0.205 458 K C 1.837 178.414 176.600 -0.039 0.000 1.046 458 K CA 2.192 58.479 56.287 0.001 0.000 0.933 458 K CB -0.474 32.021 32.500 -0.007 0.000 0.728 458 K HN 0.691 nan 8.250 nan 0.000 0.454 459 Q N -0.569 119.176 119.800 -0.092 0.000 2.443 459 Q HA -0.190 4.154 4.340 0.007 0.000 0.213 459 Q C 0.606 176.325 176.000 -0.468 0.000 0.982 459 Q CA 1.384 57.033 55.803 -0.257 0.000 0.894 459 Q CB -0.210 28.338 28.738 -0.316 0.000 0.947 459 Q HN 0.572 nan 8.270 nan 0.000 0.480 460 Y N -0.685 119.598 120.300 -0.029 0.000 2.664 460 Y HA 0.320 4.874 4.550 0.007 0.000 0.278 460 Y C -0.008 175.877 175.900 -0.024 0.000 1.130 460 Y CA -0.165 57.918 58.100 -0.029 0.000 1.260 460 Y CB 1.118 39.555 38.460 -0.040 0.000 1.369 460 Y HN 0.105 nan 8.280 nan 0.000 0.499 461 D N -0.626 119.849 120.400 0.125 0.000 2.521 461 D HA 0.188 4.832 4.640 0.007 0.000 0.195 461 D C 0.559 176.883 176.300 0.039 0.000 1.286 461 D CA 0.780 54.818 54.000 0.063 0.000 0.854 461 D CB 0.943 41.780 40.800 0.061 0.000 1.723 461 D HN 0.240 nan 8.370 nan 0.000 0.550 462 E N 2.424 122.636 120.200 0.021 0.000 2.049 462 E HA -0.162 4.193 4.350 0.007 0.000 0.198 462 E C 1.965 178.573 176.600 0.013 0.000 1.007 462 E CA 2.217 58.624 56.400 0.012 0.000 0.809 462 E CB -0.766 28.939 29.700 0.008 0.000 0.749 462 E HN 0.656 nan 8.360 nan 0.000 0.450 463 A N -0.498 122.330 122.820 0.013 0.000 2.093 463 A HA 0.016 4.340 4.320 0.007 0.000 0.222 463 A C 1.930 179.521 177.584 0.012 0.000 1.162 463 A CA 1.719 53.764 52.037 0.012 0.000 0.655 463 A CB -0.178 18.829 19.000 0.011 0.000 0.805 463 A HN 0.422 nan 8.150 nan 0.000 0.461 464 L N -0.773 120.458 121.223 0.013 0.000 2.741 464 L HA 0.154 4.499 4.340 0.007 0.000 0.237 464 L C 1.858 178.731 176.870 0.005 0.000 1.178 464 L CA 0.303 55.148 54.840 0.009 0.000 0.973 464 L CB -0.140 41.923 42.059 0.007 0.000 1.255 464 L HN 0.140 nan 8.230 nan 0.000 0.498 465 V N -0.216 119.701 119.914 0.005 0.000 2.237 465 V HA -0.269 3.856 4.120 0.007 0.000 0.245 465 V C 2.455 178.551 176.094 0.004 0.000 1.046 465 V CA 2.044 64.343 62.300 -0.001 0.000 1.007 465 V CB -0.680 31.141 31.823 -0.004 0.000 0.638 465 V HN 0.711 nan 8.190 nan 0.000 0.445 466 S N -0.473 115.234 115.700 0.011 0.000 2.493 466 S HA -0.141 4.334 4.470 0.007 0.000 0.243 466 S C 0.948 175.564 174.600 0.026 0.000 0.991 466 S CA 1.325 59.538 58.200 0.021 0.000 0.957 466 S CB -0.200 63.014 63.200 0.024 0.000 0.756 466 S HN 0.646 nan 8.310 nan 0.000 0.521 467 E N 0.419 120.629 120.200 0.015 0.000 4.230 467 E HA 0.269 4.623 4.350 0.007 0.000 0.216 467 E C -2.373 174.223 176.600 -0.006 0.000 1.132 467 E CA -1.712 54.696 56.400 0.014 0.000 1.404 467 E CB 0.979 30.689 29.700 0.017 0.000 1.183 467 E HN 0.283 nan 8.360 nan 0.000 0.431 468 P HA -0.216 nan 4.420 nan 0.000 0.218 468 P C 1.548 178.812 177.300 -0.060 0.000 1.146 468 P CA 1.504 64.578 63.100 -0.043 0.000 0.820 468 P CB 0.177 31.848 31.700 -0.048 0.000 0.778 469 S N -1.042 114.629 115.700 -0.048 0.000 2.447 469 S HA -0.109 4.365 4.470 0.007 0.000 0.233 469 S C 1.792 176.361 174.600 -0.050 0.000 1.006 469 S CA 0.795 58.961 58.200 -0.057 0.000 0.957 469 S CB -0.787 62.383 63.200 -0.050 0.000 0.773 469 S HN 0.157 nan 8.310 nan 0.000 0.507 470 K N 0.593 120.971 120.400 -0.036 0.000 2.074 470 K HA -0.043 4.281 4.320 0.007 0.000 0.209 470 K C 1.781 178.350 176.600 -0.050 0.000 1.048 470 K CA 1.256 57.524 56.287 -0.032 0.000 0.926 470 K CB -0.558 31.931 32.500 -0.018 0.000 0.713 470 K HN 0.219 nan 8.250 nan 0.000 0.444 471 L N 0.870 122.051 121.223 -0.070 0.000 2.123 471 L HA -0.221 4.123 4.340 0.007 0.000 0.217 471 L C 1.903 178.707 176.870 -0.109 0.000 1.081 471 L CA 1.782 56.557 54.840 -0.109 0.000 0.772 471 L CB -0.619 41.345 42.059 -0.159 0.000 0.890 471 L HN 0.344 nan 8.230 nan 0.000 0.437 472 I N -5.649 114.866 120.570 -0.092 0.000 3.936 472 I HA 0.280 4.454 4.170 0.007 0.000 0.330 472 I C -0.363 175.720 176.117 -0.056 0.000 1.509 472 I CA -0.259 60.992 61.300 -0.080 0.000 1.126 472 I CB 0.171 38.119 38.000 -0.087 0.000 1.115 472 I HN -0.071 nan 8.210 nan 0.000 0.424 473 D N 2.280 122.652 120.400 -0.047 0.000 2.723 473 D HA -0.122 4.522 4.640 0.007 0.000 0.236 473 D C 0.674 176.957 176.300 -0.027 0.000 1.138 473 D CA 1.775 55.756 54.000 -0.031 0.000 0.676 473 D CB -1.395 39.389 40.800 -0.026 0.000 1.069 473 D HN 1.058 nan 8.370 nan 0.000 0.430 474 G N -1.240 107.540 108.800 -0.033 0.000 3.209 474 G HA2 0.039 4.003 3.960 0.007 0.000 0.686 474 G HA3 0.039 4.003 3.960 0.007 0.000 0.686 474 G C 0.647 175.521 174.900 -0.044 0.000 1.065 474 G CA -0.360 44.722 45.100 -0.030 0.000 0.812 474 G HN 0.966 nan 8.290 nan 0.000 0.573 475 C N 1.507 120.770 119.300 -0.061 0.000 2.560 475 C HA 0.802 5.266 4.460 0.007 0.000 0.334 475 C C 2.520 177.471 174.990 -0.066 0.000 1.404 475 C CA 0.620 59.594 59.018 -0.074 0.000 2.410 475 C CB 0.311 27.988 27.740 -0.105 0.000 2.268 475 C HN 1.837 nan 8.230 nan 0.000 0.673 476 T N -0.604 113.912 114.554 -0.064 0.000 2.869 476 T HA -0.157 4.197 4.350 0.007 0.000 0.270 476 T C 1.375 176.042 174.700 -0.056 0.000 1.082 476 T CA 1.579 63.653 62.100 -0.044 0.000 1.123 476 T CB -0.702 68.148 68.868 -0.030 0.000 0.856 476 T HN 0.679 nan 8.240 nan 0.000 0.499 477 L N -0.088 121.049 121.223 -0.144 0.000 2.291 477 L HA 0.067 4.411 4.340 0.007 0.000 0.214 477 L C 2.522 179.403 176.870 0.017 0.000 1.120 477 L CA 1.257 55.968 54.840 -0.214 0.000 0.799 477 L CB -0.431 41.170 42.059 -0.763 0.000 0.925 477 L HN 0.312 nan 8.230 nan 0.000 0.446 478 E N -0.939 119.266 120.200 0.008 0.000 2.290 478 E HA 0.054 4.408 4.350 0.007 0.000 0.197 478 E C 0.249 176.871 176.600 0.037 0.000 0.948 478 E CA 0.181 56.617 56.400 0.061 0.000 0.895 478 E CB 0.668 30.395 29.700 0.045 0.000 0.865 478 E HN 0.058 nan 8.360 nan 0.000 0.486 479 V N 3.007 122.927 119.914 0.010 0.000 2.235 479 V HA 0.171 4.295 4.120 0.007 0.000 0.266 479 V C -2.058 174.039 176.094 0.006 0.000 1.055 479 V CA -1.140 61.163 62.300 0.007 0.000 0.844 479 V CB 1.055 32.876 31.823 -0.004 0.000 1.097 479 V HN 0.037 nan 8.190 nan 0.000 0.453 480 P HA -0.118 nan 4.420 nan 0.000 0.219 480 P C 1.336 178.641 177.300 0.009 0.000 1.146 480 P CA 0.976 64.084 63.100 0.014 0.000 0.808 480 P CB 0.469 32.173 31.700 0.007 0.000 0.779 481 E N 0.008 120.209 120.200 0.003 0.000 2.219 481 E HA -0.176 4.179 4.350 0.007 0.000 0.198 481 E C 1.579 178.184 176.600 0.009 0.000 0.998 481 E CA 1.164 57.566 56.400 0.003 0.000 0.818 481 E CB -0.709 28.990 29.700 -0.001 0.000 0.741 481 E HN 0.339 nan 8.360 nan 0.000 0.477 482 K N -0.014 120.389 120.400 0.006 0.000 2.486 482 K HA 0.075 4.399 4.320 0.007 0.000 0.194 482 K C 0.006 176.615 176.600 0.016 0.000 1.033 482 K CA 0.016 56.306 56.287 0.005 0.000 1.004 482 K CB 0.071 32.566 32.500 -0.007 0.000 0.798 482 K HN 0.144 nan 8.250 nan 0.000 0.495 483 I N 1.831 122.419 120.570 0.030 0.000 2.533 483 I HA -0.053 4.122 4.170 0.007 0.000 0.284 483 I C -0.043 176.117 176.117 0.071 0.000 1.109 483 I CA -0.278 61.052 61.300 0.050 0.000 1.412 483 I CB 0.970 39.012 38.000 0.070 0.000 1.396 483 I HN -0.252 nan 8.210 nan 0.000 0.543 484 V N 7.739 127.690 119.914 0.062 0.000 2.455 484 V HA 0.012 4.137 4.120 0.007 0.000 0.273 484 V C -0.318 175.843 176.094 0.111 0.000 1.045 484 V CA -0.393 61.950 62.300 0.072 0.000 0.976 484 V CB 0.155 31.998 31.823 0.032 0.000 0.993 484 V HN 0.443 nan 8.190 nan 0.000 0.475 485 Y N 6.422 126.732 120.300 0.018 0.000 2.341 485 Y HA 0.569 5.123 4.550 0.007 0.000 0.340 485 Y C -0.092 175.820 175.900 0.019 0.000 0.997 485 Y CA -0.889 57.226 58.100 0.024 0.000 1.149 485 Y CB 0.760 39.239 38.460 0.030 0.000 1.171 485 Y HN 0.456 nan 8.280 nan 0.000 0.494 486 I N 6.031 126.294 120.570 -0.512 0.000 2.460 486 I HA 0.146 4.321 4.170 0.007 0.000 0.298 486 I C 0.233 175.929 176.117 -0.701 0.000 0.989 486 I CA -0.402 60.647 61.300 -0.419 0.000 1.173 486 I CB 1.776 39.638 38.000 -0.231 0.000 1.338 486 I HN 0.726 nan 8.210 nan 0.000 0.456 487 D N 3.416 123.620 120.400 -0.327 0.000 2.320 487 D HA 0.043 4.687 4.640 0.007 0.000 0.228 487 D C 0.028 176.267 176.300 -0.102 0.000 0.978 487 D CA 1.398 55.303 54.000 -0.157 0.000 0.905 487 D CB 0.780 41.626 40.800 0.076 0.000 1.051 487 D HN 0.492 nan 8.370 nan 0.000 0.471 488 E N -0.690 119.470 120.200 -0.067 0.000 2.390 488 E HA 0.266 4.620 4.350 0.007 0.000 0.280 488 E C -0.365 176.211 176.600 -0.040 0.000 0.992 488 E CA -0.324 56.051 56.400 -0.041 0.000 0.790 488 E CB 1.723 31.420 29.700 -0.004 0.000 1.248 488 E HN 0.073 nan 8.360 nan 0.000 0.447 489 L N -0.143 121.058 121.223 -0.037 0.000 2.966 489 L HA 0.291 4.635 4.340 0.007 0.000 0.262 489 L C 0.249 177.106 176.870 -0.022 0.000 1.165 489 L CA 0.092 54.913 54.840 -0.033 0.000 0.978 489 L CB 0.755 42.788 42.059 -0.044 0.000 1.337 489 L HN 0.281 nan 8.230 nan 0.000 0.563 490 D N 0.576 120.967 120.400 -0.016 0.000 2.492 490 D HA 0.259 4.904 4.640 0.007 0.000 0.248 490 D C 0.800 177.099 176.300 -0.002 0.000 1.101 490 D CA 0.447 54.442 54.000 -0.009 0.000 0.840 490 D CB 2.306 43.100 40.800 -0.009 0.000 1.209 490 D HN 0.093 nan 8.370 nan 0.000 0.524 491 E N 2.968 123.167 120.200 -0.001 0.000 2.150 491 E HA -0.173 4.182 4.350 0.007 0.000 0.193 491 E C 1.185 177.787 176.600 0.004 0.000 0.985 491 E CA 1.429 57.831 56.400 0.003 0.000 0.814 491 E CB -0.640 29.061 29.700 0.003 0.000 0.752 491 E HN 0.669 nan 8.360 nan 0.000 0.466 492 N N -0.475 118.226 118.700 0.003 0.000 2.250 492 N HA 0.116 4.860 4.740 0.007 0.000 0.190 492 N C -0.111 175.399 175.510 0.001 0.000 1.116 492 N CA 0.461 53.513 53.050 0.002 0.000 0.881 492 N CB 0.826 39.314 38.487 0.002 0.000 1.006 492 N HN 0.191 nan 8.380 nan 0.000 0.491 493 D N 0.883 121.284 120.400 0.003 0.000 2.404 493 D HA 0.207 4.851 4.640 0.007 0.000 0.267 493 D C -1.378 174.930 176.300 0.012 0.000 1.194 493 D CA -0.504 53.498 54.000 0.003 0.000 0.910 493 D CB -0.198 40.605 40.800 0.005 0.000 1.090 493 D HN 0.264 nan 8.370 nan 0.000 0.511 494 N N -0.014 118.695 118.700 0.015 0.000 3.046 494 N HA 0.075 4.819 4.740 0.007 0.000 0.243 494 N C -0.011 175.525 175.510 0.044 0.000 1.452 494 N CA -0.852 52.222 53.050 0.040 0.000 0.882 494 N CB 0.746 39.255 38.487 0.037 0.000 1.425 494 N HN -0.129 nan 8.380 nan 0.000 0.517 495 V N 0.260 120.233 119.914 0.099 0.000 2.490 495 V HA -0.190 3.934 4.120 0.007 0.000 0.250 495 V C 1.121 177.228 176.094 0.021 0.000 1.061 495 V CA 1.874 64.225 62.300 0.085 0.000 1.064 495 V CB -0.823 31.137 31.823 0.229 0.000 0.670 495 V HN 0.642 nan 8.190 nan 0.000 0.461 496 N N -0.294 118.427 118.700 0.036 0.000 2.207 496 N HA -0.075 4.670 4.740 0.007 0.000 0.182 496 N C 1.743 177.255 175.510 0.003 0.000 1.020 496 N CA 1.553 54.615 53.050 0.021 0.000 0.858 496 N CB -0.300 38.207 38.487 0.032 0.000 0.991 496 N HN 0.405 nan 8.380 nan 0.000 0.427 497 V N 1.904 121.819 119.914 0.001 0.000 2.295 497 V HA -0.185 3.939 4.120 0.007 0.000 0.246 497 V C 2.486 178.564 176.094 -0.026 0.000 1.049 497 V CA 1.436 63.731 62.300 -0.009 0.000 1.024 497 V CB -0.421 31.398 31.823 -0.007 0.000 0.648 497 V HN 0.228 nan 8.190 nan 0.000 0.447 498 R N -0.731 119.741 120.500 -0.047 0.000 2.096 498 R HA -0.185 4.159 4.340 0.007 0.000 0.240 498 R C 2.373 178.627 176.300 -0.077 0.000 1.139 498 R CA 1.862 57.908 56.100 -0.089 0.000 0.952 498 R CB -0.316 29.899 30.300 -0.142 0.000 0.854 498 R HN 0.410 nan 8.270 nan 0.000 0.436 499 M N 0.147 119.709 119.600 -0.063 0.000 2.132 499 M HA -0.153 4.331 4.480 0.007 0.000 0.263 499 M C 2.117 178.407 176.300 -0.017 0.000 1.065 499 M CA 1.263 56.534 55.300 -0.048 0.000 1.122 499 M CB -0.678 31.896 32.600 -0.042 0.000 1.365 499 M HN 0.147 nan 8.290 nan 0.000 0.411 500 E N 1.206 121.400 120.200 -0.010 0.000 2.086 500 E HA -0.242 4.113 4.350 0.007 0.000 0.200 500 E C 1.631 178.239 176.600 0.013 0.000 1.012 500 E CA 1.630 58.031 56.400 0.003 0.000 0.812 500 E CB -0.188 29.513 29.700 0.002 0.000 0.743 500 E HN 0.542 nan 8.360 nan 0.000 0.453 501 E N -0.869 119.336 120.200 0.008 0.000 2.333 501 E HA -0.121 4.233 4.350 0.007 0.000 0.198 501 E C 1.199 177.835 176.600 0.061 0.000 1.007 501 E CA 1.396 57.810 56.400 0.024 0.000 0.845 501 E CB 0.059 29.761 29.700 0.003 0.000 0.766 501 E HN 0.306 nan 8.360 nan 0.000 0.507 502 T N -4.245 110.348 114.554 0.065 0.000 3.200 502 T HA 0.270 4.624 4.350 0.007 0.000 0.284 502 T C 1.486 176.282 174.700 0.161 0.000 1.009 502 T CA 0.351 62.542 62.100 0.151 0.000 0.907 502 T CB 0.684 69.601 68.868 0.082 0.000 1.120 502 T HN 0.035 nan 8.240 nan 0.000 0.534 503 K N 1.554 122.003 120.400 0.081 0.000 2.097 503 K HA -0.224 4.101 4.320 0.007 0.000 0.214 503 K C 2.336 178.957 176.600 0.036 0.000 1.052 503 K CA 2.801 59.116 56.287 0.047 0.000 0.932 503 K CB -2.083 30.428 32.500 0.019 0.000 0.716 503 K HN 0.870 nan 8.250 nan 0.000 0.455 504 E N -0.616 119.593 120.200 0.015 0.000 2.273 504 E HA -0.082 4.273 4.350 0.007 0.000 0.198 504 E C 1.703 178.127 176.600 -0.293 0.000 1.002 504 E CA 1.493 57.795 56.400 -0.162 0.000 0.828 504 E CB -0.711 28.830 29.700 -0.266 0.000 0.747 504 E HN 0.820 nan 8.360 nan 0.000 0.491 505 F N -0.695 119.250 119.950 -0.008 0.000 2.653 505 F HA 0.327 4.858 4.527 0.007 0.000 0.304 505 F C 1.334 177.126 175.800 -0.014 0.000 1.092 505 F CA -0.229 57.766 58.000 -0.008 0.000 1.279 505 F CB 0.781 39.777 39.000 -0.006 0.000 1.044 505 F HN -0.041 nan 8.300 nan 0.000 0.564 510 M N 2.216 121.774 119.600 -0.070 0.000 2.228 510 M HA 0.545 5.029 4.480 0.007 0.000 0.326 510 M C 0.010 176.409 176.300 0.166 0.000 1.122 510 M CA -0.081 55.200 55.300 -0.032 0.000 1.161 510 M CB 0.488 32.931 32.600 -0.262 0.000 1.437 510 M HN 0.545 nan 8.290 nan 0.000 0.465 511 I N 1.503 122.234 120.570 0.269 0.000 2.775 511 I HA 0.473 4.648 4.170 0.007 0.000 0.295 511 I C -1.358 174.904 176.117 0.241 0.000 1.287 511 I CA -0.489 60.974 61.300 0.272 0.000 1.029 511 I CB 2.082 40.158 38.000 0.127 0.000 1.282 511 I HN 0.795 nan 8.210 nan 0.000 0.426 512 K N 5.392 125.851 120.400 0.098 0.000 2.495 512 K HA 0.739 5.064 4.320 0.007 0.000 0.268 512 K C -3.063 173.488 176.600 -0.082 0.000 1.008 512 K CA -1.736 54.548 56.287 -0.004 0.000 0.882 512 K CB 1.226 33.692 32.500 -0.057 0.000 1.443 512 K HN 0.154 nan 8.250 nan 0.000 0.447 513 P HA 0.096 nan 4.420 nan 0.000 0.272 513 P C -1.314 175.881 177.300 -0.176 0.000 1.240 513 P CA -0.205 62.821 63.100 -0.124 0.000 0.791 513 P CB 0.499 32.119 31.700 -0.134 0.000 0.978 514 E N -0.988 119.107 120.200 -0.175 0.000 2.412 514 E HA 0.385 4.739 4.350 0.007 0.000 0.279 514 E C -0.462 175.947 176.600 -0.319 0.000 0.984 514 E CA -0.940 55.332 56.400 -0.214 0.000 0.788 514 E CB 1.252 30.892 29.700 -0.102 0.000 1.277 514 E HN 0.102 nan 8.360 nan 0.000 0.455 515 V N -1.352 118.238 119.914 -0.539 0.000 2.908 515 V HA 0.177 4.302 4.120 0.007 0.000 0.240 515 V C 1.349 176.911 176.094 -0.886 0.000 1.117 515 V CA 1.341 63.109 62.300 -0.886 0.000 1.133 515 V CB -0.530 30.222 31.823 -1.786 0.000 0.857 515 V HN 0.860 nan 8.190 nan 0.000 0.478 516 E N -2.503 117.287 120.200 -0.684 0.000 2.550 516 E HA 0.130 4.484 4.350 0.007 0.000 0.206 516 E C 0.012 176.608 176.600 -0.006 0.000 0.845 516 E CA -0.419 55.637 56.400 -0.573 0.000 1.461 516 E CB 0.327 29.695 29.700 -0.554 0.000 1.452 516 E HN 0.492 nan 8.360 nan 0.000 0.780 517 W N 2.922 124.150 121.300 -0.119 0.000 2.632 517 W HA 0.433 5.097 4.660 0.007 0.000 0.328 517 W C 0.006 176.469 176.519 -0.093 0.000 1.044 517 W CA -1.907 55.396 57.345 -0.071 0.000 1.225 517 W CB 1.186 30.598 29.460 -0.081 0.000 1.396 517 W HN 0.047 nan 8.180 nan 0.000 0.499 518 Q N 1.860 121.746 119.800 0.143 0.000 2.436 518 Q HA 0.194 4.539 4.340 0.007 0.000 0.326 518 Q C 1.084 177.011 176.000 -0.122 0.000 1.079 518 Q CA 1.851 57.651 55.803 -0.006 0.000 1.049 518 Q CB 0.250 28.971 28.738 -0.028 0.000 1.047 518 Q HN 0.716 nan 8.270 nan 0.000 0.386 519 A N 3.645 126.313 122.820 -0.255 0.000 2.847 519 A HA -0.283 4.041 4.320 0.007 0.000 0.263 519 A C 0.750 178.164 177.584 -0.283 0.000 1.391 519 A CA 1.366 53.121 52.037 -0.470 0.000 0.866 519 A CB -2.253 16.150 19.000 -0.995 0.000 1.057 519 A HN 1.076 nan 8.150 nan 0.000 0.673 520 D N -1.320 118.989 120.400 -0.153 0.000 2.263 520 D HA 0.254 4.898 4.640 0.007 0.000 0.208 520 D C 1.668 177.854 176.300 -0.190 0.000 0.971 520 D CA 1.506 55.433 54.000 -0.121 0.000 0.867 520 D CB -0.730 40.003 40.800 -0.112 0.000 0.929 520 D HN 2.001 nan 8.370 nan 0.000 0.492 521 G N -0.903 107.760 108.800 -0.229 0.000 2.153 521 G HA2 -0.263 3.701 3.960 0.007 0.000 0.252 521 G HA3 -0.263 3.701 3.960 0.007 0.000 0.252 521 G C 0.214 174.967 174.900 -0.245 0.000 0.994 521 G CA 0.541 45.501 45.100 -0.232 0.000 0.698 521 G HN 0.533 nan 8.290 nan 0.000 0.521 522 T N 0.315 114.687 114.554 -0.304 0.000 2.882 522 T HA 0.630 4.984 4.350 0.007 0.000 0.287 522 T C 0.538 175.023 174.700 -0.357 0.000 0.992 522 T CA 0.204 62.103 62.100 -0.334 0.000 1.076 522 T CB 2.216 70.818 68.868 -0.443 0.000 0.961 522 T HN 1.383 nan 8.240 nan 0.000 0.490 523 V N 1.475 121.252 119.914 -0.228 0.000 3.074 523 V HA 0.850 4.975 4.120 0.007 0.000 0.314 523 V C -1.013 175.088 176.094 0.011 0.000 1.117 523 V CA -1.299 60.920 62.300 -0.133 0.000 1.014 523 V CB 1.862 33.641 31.823 -0.074 0.000 1.057 523 V HN 0.692 nan 8.190 nan 0.000 0.438 524 L N 2.629 123.932 121.223 0.134 0.000 2.317 524 L HA 0.813 5.158 4.340 0.007 0.000 0.281 524 L C -0.844 176.104 176.870 0.131 0.000 1.024 524 L CA -0.491 54.492 54.840 0.239 0.000 0.810 524 L CB 1.442 43.730 42.059 0.382 0.000 1.240 524 L HN 0.882 nan 8.230 nan 0.000 0.427 525 L N 4.145 125.430 121.223 0.104 0.000 2.356 525 L HA 0.723 5.068 4.340 0.007 0.000 0.277 525 L C -0.945 175.959 176.870 0.057 0.000 0.996 525 L CA 0.267 55.148 54.840 0.068 0.000 0.822 525 L CB 2.153 44.246 42.059 0.056 0.000 1.256 525 L HN 0.665 nan 8.230 nan 0.000 0.413 526 T N 6.625 121.208 114.554 0.048 0.000 2.841 526 T HA 0.757 5.111 4.350 0.007 0.000 0.285 526 T C -0.388 174.331 174.700 0.032 0.000 0.991 526 T CA -0.482 61.642 62.100 0.041 0.000 0.966 526 T CB 1.279 70.176 68.868 0.048 0.000 0.962 526 T HN 0.736 nan 8.240 nan 0.000 0.438 527 M N 1.459 121.076 119.600 0.029 0.000 2.755 527 M HA 0.832 5.316 4.480 0.007 0.000 0.273 527 M C -1.811 174.543 176.300 0.090 0.000 1.278 527 M CA -1.294 54.024 55.300 0.031 0.000 0.819 527 M CB 2.231 34.805 32.600 -0.043 0.000 1.694 527 M HN 0.483 nan 8.290 nan 0.000 0.460 528 F N 1.587 121.505 119.950 -0.053 0.000 2.518 528 F HA 0.804 5.335 4.527 0.006 0.000 0.323 528 F C -2.335 173.438 175.800 -0.044 0.000 1.129 528 F CA -0.668 57.310 58.000 -0.037 0.000 0.920 528 F CB 1.483 40.466 39.000 -0.029 0.000 1.160 528 F HN 0.574 nan 8.300 nan 0.000 0.440 529 L N 7.861 128.586 121.223 -0.829 0.000 2.362 529 L HA 0.518 4.862 4.340 0.007 0.000 0.275 529 L C -2.163 174.230 176.870 -0.795 0.000 0.998 529 L CA -1.906 52.594 54.840 -0.566 0.000 0.820 529 L CB 2.654 44.580 42.059 -0.222 0.000 1.270 529 L HN 0.468 nan 8.230 nan 0.000 0.415 530 P HA 0.125 nan 4.420 nan 0.000 0.212 530 P C -0.380 176.863 177.300 -0.094 0.000 1.816 530 P CA 0.071 63.051 63.100 -0.199 0.000 0.944 530 P CB 0.454 32.199 31.700 0.075 0.000 1.896 531 T N -0.922 113.552 114.554 -0.133 0.000 2.778 531 T HA 0.438 4.792 4.350 0.007 0.000 0.293 531 T C -0.337 174.329 174.700 -0.057 0.000 1.144 531 T CA -0.319 61.749 62.100 -0.054 0.000 1.010 531 T CB 1.156 70.012 68.868 -0.020 0.000 1.325 531 T HN 0.110 nan 8.240 nan 0.000 0.515 532 S N 0.897 116.585 115.700 -0.018 0.000 2.580 532 S HA 0.157 4.632 4.470 0.007 0.000 0.266 532 S C 1.417 176.011 174.600 -0.009 0.000 1.354 532 S CA 0.505 58.701 58.200 -0.008 0.000 1.008 532 S CB 0.461 63.667 63.200 0.009 0.000 0.898 532 S HN 0.944 nan 8.310 nan 0.000 0.555 533 K N 1.548 121.946 120.400 -0.004 0.000 2.057 533 K HA -0.104 4.220 4.320 0.007 0.000 0.206 533 K C 2.304 178.911 176.600 0.011 0.000 1.050 533 K CA 0.927 57.208 56.287 -0.010 0.000 0.935 533 K CB -0.315 32.180 32.500 -0.009 0.000 0.715 533 K HN 0.645 nan 8.250 nan 0.000 0.439 534 R N 0.981 121.510 120.500 0.048 0.000 2.070 534 R HA -0.084 4.260 4.340 0.007 0.000 0.233 534 R C 2.176 178.589 176.300 0.188 0.000 1.137 534 R CA 1.622 57.793 56.100 0.118 0.000 0.945 534 R CB -0.295 30.087 30.300 0.136 0.000 0.845 534 R HN 0.124 nan 8.270 nan 0.000 0.430 535 V N 1.058 121.048 119.914 0.127 0.000 2.490 535 V HA -0.226 3.899 4.120 0.007 0.000 0.250 535 V C 2.412 178.578 176.094 0.120 0.000 1.061 535 V CA 1.847 64.226 62.300 0.131 0.000 1.064 535 V CB -0.661 31.201 31.823 0.064 0.000 0.670 535 V HN 0.543 nan 8.190 nan 0.000 0.461 536 A N 0.012 122.864 122.820 0.053 0.000 1.898 536 A HA -0.267 4.058 4.320 0.007 0.000 0.216 536 A C 2.288 179.880 177.584 0.014 0.000 1.181 536 A CA 1.901 53.946 52.037 0.014 0.000 0.620 536 A CB -0.474 18.488 19.000 -0.062 0.000 0.819 536 A HN 0.670 nan 8.150 nan 0.000 0.442 537 E N -1.069 119.111 120.200 -0.032 0.000 2.058 537 E HA -0.214 4.140 4.350 0.007 0.000 0.194 537 E C 1.622 178.089 176.600 -0.222 0.000 0.997 537 E CA 1.577 57.874 56.400 -0.172 0.000 0.801 537 E CB -0.318 29.193 29.700 -0.315 0.000 0.746 537 E HN 0.570 nan 8.360 nan 0.000 0.450 538 F N 0.733 120.689 119.950 0.011 0.000 2.206 538 F HA 0.057 4.588 4.527 0.006 0.000 0.298 538 F C 2.450 178.253 175.800 0.005 0.000 1.090 538 F CA 0.966 58.969 58.000 0.005 0.000 1.323 538 F CB -0.556 38.439 39.000 -0.008 0.000 1.028 538 F HN 0.147 nan 8.300 nan 0.000 0.492 539 A N 0.126 123.053 122.820 0.178 0.000 1.902 539 A HA -0.074 4.251 4.320 0.007 0.000 0.217 539 A C 2.428 180.135 177.584 0.206 0.000 1.181 539 A CA 1.712 53.817 52.037 0.113 0.000 0.623 539 A CB -1.279 17.819 19.000 0.164 0.000 0.818 539 A HN 0.292 nan 8.150 nan 0.000 0.443 540 A N 0.050 123.007 122.820 0.229 0.000 1.902 540 A HA -0.087 4.238 4.320 0.007 0.000 0.217 540 A C 1.989 179.671 177.584 0.164 0.000 1.181 540 A CA 1.668 53.848 52.037 0.240 0.000 0.623 540 A CB -0.510 18.542 19.000 0.087 0.000 0.818 540 A HN 0.401 nan 8.150 nan 0.000 0.443 541 I N 0.264 120.877 120.570 0.073 0.000 2.163 541 I HA -0.190 3.984 4.170 0.007 0.000 0.243 541 I C 2.416 178.571 176.117 0.063 0.000 1.085 541 I CA 1.422 62.751 61.300 0.048 0.000 1.347 541 I CB -1.486 36.531 38.000 0.028 0.000 1.044 541 I HN 0.334 nan 8.210 nan 0.000 0.408 542 E N 0.345 120.567 120.200 0.037 0.000 2.077 542 E HA -0.182 4.173 4.350 0.007 0.000 0.193 542 E C 2.300 178.866 176.600 -0.058 0.000 0.989 542 E CA 1.099 57.473 56.400 -0.044 0.000 0.800 542 E CB -0.514 29.104 29.700 -0.137 0.000 0.746 542 E HN 0.371 nan 8.360 nan 0.000 0.452 543 F N 1.340 121.309 119.950 0.031 0.000 2.120 543 F HA -0.227 4.303 4.527 0.005 0.000 0.300 543 F C 2.471 178.289 175.800 0.029 0.000 1.095 543 F CA 1.287 59.304 58.000 0.029 0.000 1.249 543 F CB -0.840 38.175 39.000 0.025 0.000 0.995 543 F HN 0.016 nan 8.300 nan 0.000 0.480 544 A N -0.128 122.819 122.820 0.211 0.000 1.877 544 A HA -0.227 4.097 4.320 0.007 0.000 0.216 544 A C 2.244 179.879 177.584 0.086 0.000 1.186 544 A CA 1.858 53.970 52.037 0.125 0.000 0.620 544 A CB -0.656 18.397 19.000 0.089 0.000 0.822 544 A HN 0.354 nan 8.150 nan 0.000 0.443 545 K N -0.122 120.317 120.400 0.064 0.000 2.032 545 K HA -0.151 4.173 4.320 0.007 0.000 0.209 545 K C 1.960 178.593 176.600 0.055 0.000 1.048 545 K CA 1.713 58.028 56.287 0.046 0.000 0.927 545 K CB -0.217 32.300 32.500 0.029 0.000 0.712 545 K HN 0.411 nan 8.250 nan 0.000 0.441 546 K N 0.379 120.811 120.400 0.054 0.000 2.360 546 K HA -0.063 4.261 4.320 0.007 0.000 0.201 546 K C 1.649 178.304 176.600 0.092 0.000 1.046 546 K CA 1.005 57.329 56.287 0.063 0.000 0.940 546 K CB -0.037 32.494 32.500 0.052 0.000 0.748 546 K HN 0.208 nan 8.250 nan 0.000 0.465 547 M N 0.777 120.442 119.600 0.108 0.000 2.563 547 M HA 0.039 4.524 4.480 0.007 0.000 0.231 547 M C -0.453 175.918 176.300 0.118 0.000 1.136 547 M CA 0.204 55.572 55.300 0.113 0.000 1.026 547 M CB 0.093 32.759 32.600 0.110 0.000 1.597 547 M HN 0.091 nan 8.290 nan 0.000 0.495 548 N N 0.684 119.447 118.700 0.104 0.000 2.776 548 N HA -0.130 4.614 4.740 0.007 0.000 0.250 548 N C -0.756 174.787 175.510 0.055 0.000 1.112 548 N CA 0.659 53.778 53.050 0.114 0.000 0.733 548 N CB -1.810 36.809 38.487 0.221 0.000 1.097 548 N HN 0.391 nan 8.380 nan 0.000 0.558 549 L N 0.676 121.918 121.223 0.031 0.000 2.399 549 L HA 0.331 4.675 4.340 0.007 0.000 0.266 549 L C 0.883 177.748 176.870 -0.009 0.000 1.114 549 L CA -0.099 54.732 54.840 -0.015 0.000 0.804 549 L CB 0.812 42.869 42.059 -0.003 0.000 1.146 549 L HN 0.023 nan 8.230 nan 0.000 0.451 550 E N 0.902 121.084 120.200 -0.032 0.000 2.336 550 E HA 0.296 4.650 4.350 0.007 0.000 0.267 550 E C -0.962 175.625 176.600 -0.020 0.000 0.906 550 E CA -0.809 55.581 56.400 -0.017 0.000 0.781 550 E CB 1.856 31.544 29.700 -0.019 0.000 1.261 550 E HN 0.493 nan 8.360 nan 0.000 0.436 551 E N -0.219 119.977 120.200 -0.007 0.000 2.271 551 E HA -0.160 4.194 4.350 0.007 0.000 0.223 551 E C -0.781 175.817 176.600 -0.004 0.000 1.223 551 E CA -0.023 56.374 56.400 -0.005 0.000 0.704 551 E CB -1.266 28.425 29.700 -0.014 0.000 1.194 551 E HN 0.140 nan 8.360 nan 0.000 0.375 552 V N 1.636 121.552 119.914 0.003 0.000 2.439 552 V HA 0.040 4.164 4.120 0.007 0.000 0.271 552 V C 0.757 176.852 176.094 0.000 0.000 1.040 552 V CA 0.643 62.947 62.300 0.007 0.000 1.002 552 V CB 0.759 32.590 31.823 0.015 0.000 1.000 552 V HN 0.196 nan 8.190 nan 0.000 0.477 553 E N 3.653 123.853 120.200 0.001 0.000 2.171 553 E HA 0.439 4.793 4.350 0.007 0.000 0.271 553 E C -0.937 175.649 176.600 -0.023 0.000 0.916 553 E CA -0.787 55.605 56.400 -0.014 0.000 0.774 553 E CB 2.526 32.224 29.700 -0.004 0.000 1.128 553 E HN 0.422 nan 8.360 nan 0.000 0.403 554 V N 4.701 124.578 119.914 -0.062 0.000 2.555 554 V HA 0.046 4.171 4.120 0.007 0.000 0.286 554 V C 1.051 177.107 176.094 -0.064 0.000 1.044 554 V CA 0.580 62.836 62.300 -0.073 0.000 1.026 554 V CB 0.436 32.180 31.823 -0.132 0.000 0.981 554 V HN 0.676 nan 8.190 nan 0.000 0.480 555 I N 1.070 121.607 120.570 -0.054 0.000 4.526 555 I HA 0.516 4.691 4.170 0.007 0.000 0.330 555 I C 0.330 176.399 176.117 -0.081 0.000 1.323 555 I CA 0.034 61.294 61.300 -0.066 0.000 1.218 555 I CB 0.728 38.686 38.000 -0.069 0.000 1.233 555 I HN 0.563 nan 8.210 nan 0.000 0.430 556 N N 1.756 120.414 118.700 -0.070 0.000 2.324 556 N HA 0.523 5.267 4.740 0.007 0.000 0.285 556 N C -1.602 173.876 175.510 -0.053 0.000 1.076 556 N CA -0.431 52.579 53.050 -0.067 0.000 0.864 556 N CB 1.949 40.392 38.487 -0.073 0.000 1.632 556 N HN 0.118 nan 8.380 nan 0.000 0.478 557 R N 1.277 121.748 120.500 -0.048 0.000 2.513 557 R HA 0.502 4.846 4.340 0.007 0.000 0.301 557 R C -0.946 175.338 176.300 -0.026 0.000 0.968 557 R CA -0.626 55.450 56.100 -0.039 0.000 0.872 557 R CB 1.739 32.011 30.300 -0.046 0.000 1.177 557 R HN 0.422 nan 8.270 nan 0.000 0.444 558 E N 1.747 121.940 120.200 -0.012 0.000 2.199 558 E HA 0.285 4.639 4.350 0.007 0.000 0.265 558 E C -0.785 175.825 176.600 0.016 0.000 0.882 558 E CA -0.932 55.468 56.400 0.001 0.000 0.759 558 E CB 2.528 32.231 29.700 0.006 0.000 1.148 558 E HN 0.181 nan 8.360 nan 0.000 0.412 559 V N 5.431 125.352 119.914 0.013 0.000 2.446 559 V HA -0.058 4.067 4.120 0.007 0.000 0.276 559 V C 1.223 177.345 176.094 0.047 0.000 1.030 559 V CA 0.160 62.474 62.300 0.023 0.000 1.033 559 V CB 0.431 32.262 31.823 0.014 0.000 0.993 559 V HN 0.808 nan 8.190 nan 0.000 0.477 560 M N 2.161 121.815 119.600 0.089 0.000 2.081 560 M HA 0.053 4.538 4.480 0.007 0.000 0.261 560 M C 0.818 177.165 176.300 0.079 0.000 1.075 560 M CA 1.563 56.931 55.300 0.113 0.000 1.133 560 M CB -0.407 32.338 32.600 0.241 0.000 1.330 560 M HN 0.697 nan 8.290 nan 0.000 0.414 561 Q N -0.215 119.634 119.800 0.083 0.000 2.386 561 Q HA 0.125 4.470 4.340 0.007 0.000 0.274 561 Q C 0.034 176.060 176.000 0.043 0.000 1.011 561 Q CA -0.011 55.824 55.803 0.054 0.000 0.867 561 Q CB 2.175 30.945 28.738 0.053 0.000 1.409 561 Q HN 0.423 nan 8.270 nan 0.000 0.395 562 E N 2.291 122.507 120.200 0.028 0.000 2.108 562 E HA -0.300 4.054 4.350 0.007 0.000 0.203 562 E C 0.904 177.515 176.600 0.018 0.000 1.022 562 E CA 2.448 58.859 56.400 0.018 0.000 0.823 562 E CB 0.221 29.930 29.700 0.015 0.000 0.744 562 E HN 0.624 nan 8.360 nan 0.000 0.456 563 A N 0.169 123.004 122.820 0.025 0.000 1.924 563 A HA -0.011 4.313 4.320 0.007 0.000 0.211 563 A C 1.942 179.548 177.584 0.037 0.000 1.198 563 A CA 0.577 52.629 52.037 0.025 0.000 0.657 563 A CB -0.111 18.904 19.000 0.024 0.000 0.852 563 A HN 0.142 nan 8.150 nan 0.000 0.454 564 E N -0.015 120.223 120.200 0.062 0.000 2.150 564 E HA 0.152 4.506 4.350 0.007 0.000 0.193 564 E C 0.999 177.694 176.600 0.159 0.000 0.985 564 E CA 1.075 57.541 56.400 0.111 0.000 0.814 564 E CB -0.190 29.588 29.700 0.130 0.000 0.752 564 E HN 0.607 nan 8.360 nan 0.000 0.466 565 G N -1.178 107.679 108.800 0.096 0.000 2.316 565 G HA2 0.303 4.267 3.960 0.007 0.000 0.296 565 G HA3 0.303 4.267 3.960 0.007 0.000 0.296 565 G C -1.259 173.577 174.900 -0.106 0.000 1.399 565 G CA -0.590 44.437 45.100 -0.122 0.000 0.833 565 G HN -0.078 nan 8.290 nan 0.000 0.565 566 T N 0.168 114.511 114.554 -0.352 0.000 2.921 566 T HA 0.563 4.918 4.350 0.007 0.000 0.297 566 T C -0.038 174.564 174.700 -0.163 0.000 1.013 566 T CA -0.680 61.329 62.100 -0.153 0.000 0.990 566 T CB 1.930 70.724 68.868 -0.124 0.000 1.023 566 T HN 0.736 nan 8.240 nan 0.000 0.447 567 R N 3.353 123.866 120.500 0.021 0.000 2.390 567 R HA 0.545 4.889 4.340 0.007 0.000 0.291 567 R C -0.877 175.421 176.300 -0.003 0.000 1.070 567 R CA -0.308 55.830 56.100 0.064 0.000 1.014 567 R CB 0.322 30.681 30.300 0.099 0.000 1.007 567 R HN 0.432 nan 8.270 nan 0.000 0.466 568 I N 3.257 123.822 120.570 -0.007 0.000 2.582 568 I HA 0.305 4.479 4.170 0.007 0.000 0.292 568 I C -0.673 175.441 176.117 -0.006 0.000 1.066 568 I CA -0.678 60.608 61.300 -0.023 0.000 1.053 568 I CB 2.142 40.120 38.000 -0.036 0.000 1.241 568 I HN 0.772 nan 8.210 nan 0.000 0.421 569 E N 5.558 125.749 120.200 -0.014 0.000 2.210 569 E HA 0.705 5.059 4.350 0.007 0.000 0.266 569 E C -1.489 175.111 176.600 -0.000 0.000 0.883 569 E CA -0.742 55.658 56.400 -0.000 0.000 0.761 569 E CB 2.993 32.686 29.700 -0.011 0.000 1.156 569 E HN 0.255 nan 8.360 nan 0.000 0.412 570 L N 2.502 123.743 121.223 0.029 0.000 2.370 570 L HA 0.439 4.784 4.340 0.007 0.000 0.266 570 L C -0.391 176.530 176.870 0.086 0.000 1.002 570 L CA -0.785 54.077 54.840 0.037 0.000 0.818 570 L CB 1.616 43.694 42.059 0.031 0.000 1.325 570 L HN 0.435 nan 8.230 nan 0.000 0.418 571 K N 0.544 121.003 120.400 0.099 0.000 2.156 571 K HA 0.966 5.290 4.320 0.007 0.000 0.250 571 K C -0.439 176.192 176.600 0.052 0.000 0.955 571 K CA -0.716 55.653 56.287 0.137 0.000 0.855 571 K CB 2.156 34.806 32.500 0.250 0.000 1.101 571 K HN 0.660 nan 8.250 nan 0.000 0.434 572 G N 1.042 109.848 108.800 0.010 0.000 2.673 572 G HA2 0.316 4.280 3.960 0.007 0.000 0.292 572 G HA3 0.316 4.280 3.960 0.007 0.000 0.292 572 G C -1.821 173.031 174.900 -0.081 0.000 1.450 572 G CA -1.083 44.001 45.100 -0.027 0.000 0.837 572 G HN 0.611 nan 8.290 nan 0.000 0.505 573 R N 0.889 121.334 120.500 -0.092 0.000 2.254 573 R HA 0.531 4.875 4.340 0.007 0.000 0.318 573 R C -0.510 175.681 176.300 -0.182 0.000 1.031 573 R CA -0.459 55.558 56.100 -0.137 0.000 0.905 573 R CB 1.265 31.498 30.300 -0.112 0.000 1.050 573 R HN 0.258 nan 8.270 nan 0.000 0.456 574 V N 7.750 127.507 119.914 -0.262 0.000 2.470 574 V HA 0.160 4.284 4.120 0.007 0.000 0.276 574 V C -1.440 174.355 176.094 -0.499 0.000 1.040 574 V CA -1.106 60.916 62.300 -0.463 0.000 1.008 574 V CB 1.461 32.971 31.823 -0.521 0.000 0.990 574 V HN 0.844 nan 8.190 nan 0.000 0.477 575 P HA 0.197 nan 4.420 nan 0.000 0.249 575 P C -0.710 176.532 177.300 -0.098 0.000 1.544 575 P CA 0.183 63.141 63.100 -0.237 0.000 0.932 575 P CB -0.313 31.350 31.700 -0.061 0.000 1.524 576 F N -3.688 116.286 119.950 0.040 0.000 2.741 576 F HA 0.694 5.225 4.527 0.007 0.000 0.313 576 F C -0.689 175.162 175.800 0.085 0.000 1.153 576 F CA -1.497 56.540 58.000 0.062 0.000 0.931 576 F CB 0.194 39.221 39.000 0.044 0.000 1.335 576 F HN -0.428 nan 8.300 nan 0.000 0.460 577 S N 0.961 116.922 115.700 0.435 0.000 2.689 577 S HA 0.853 5.327 4.470 0.007 0.000 0.306 577 S C -1.502 173.254 174.600 0.261 0.000 1.104 577 S CA -0.621 57.781 58.200 0.337 0.000 0.973 577 S CB 1.911 65.307 63.200 0.326 0.000 1.121 577 S HN 0.507 nan 8.310 nan 0.000 0.523 578 I N 2.177 122.861 120.570 0.191 0.000 2.512 578 I HA 0.313 4.488 4.170 0.007 0.000 0.287 578 I C -0.783 175.381 176.117 0.078 0.000 1.069 578 I CA -0.796 60.572 61.300 0.114 0.000 1.056 578 I CB 1.791 39.859 38.000 0.113 0.000 1.229 578 I HN 0.602 nan 8.210 nan 0.000 0.429 579 D N 5.971 126.394 120.400 0.039 0.000 2.312 579 D HA 0.189 4.834 4.640 0.007 0.000 0.252 579 D C 1.157 177.467 176.300 0.016 0.000 1.150 579 D CA -0.310 53.700 54.000 0.016 0.000 0.870 579 D CB 1.294 42.090 40.800 -0.005 0.000 1.153 579 D HN 0.182 nan 8.370 nan 0.000 0.457 580 I N 3.857 124.437 120.570 0.015 0.000 2.142 580 I HA -0.248 3.926 4.170 0.007 0.000 0.240 580 I C 1.991 178.110 176.117 0.003 0.000 1.078 580 I CA 0.729 62.036 61.300 0.012 0.000 1.343 580 I CB -1.431 36.575 38.000 0.011 0.000 1.046 580 I HN 0.483 nan 8.210 nan 0.000 0.405 581 N N 1.171 119.870 118.700 -0.003 0.000 2.089 581 N HA -0.203 4.541 4.740 0.007 0.000 0.198 581 N C 1.723 177.230 175.510 -0.006 0.000 1.017 581 N CA 1.969 55.015 53.050 -0.007 0.000 0.880 581 N CB -0.553 37.927 38.487 -0.011 0.000 1.042 581 N HN 0.314 nan 8.380 nan 0.000 0.446 582 S N 0.187 115.883 115.700 -0.006 0.000 2.607 582 S HA 0.142 4.616 4.470 0.007 0.000 0.224 582 S C 0.764 175.362 174.600 -0.004 0.000 0.969 582 S CA -0.088 58.108 58.200 -0.007 0.000 0.927 582 S CB 0.063 63.257 63.200 -0.009 0.000 0.772 582 S HN 0.211 nan 8.310 nan 0.000 0.533 583 L N 2.115 123.338 121.223 -0.001 0.000 2.397 583 L HA 0.283 4.628 4.340 0.007 0.000 0.271 583 L C -0.290 176.580 176.870 -0.001 0.000 1.148 583 L CA -0.497 54.344 54.840 0.001 0.000 0.825 583 L CB 0.836 42.898 42.059 0.006 0.000 1.117 583 L HN -0.026 nan 8.230 nan 0.000 0.456 584 V N 5.327 125.240 119.914 -0.001 0.000 2.350 584 V HA 0.376 4.500 4.120 0.007 0.000 0.276 584 V C 0.133 176.226 176.094 -0.001 0.000 1.028 584 V CA -0.161 62.138 62.300 -0.003 0.000 0.860 584 V CB 1.123 32.944 31.823 -0.004 0.000 0.990 584 V HN 0.484 nan 8.190 nan 0.000 0.453 585 I N 7.232 127.801 120.570 -0.001 0.000 2.493 585 I HA 0.378 4.552 4.170 0.007 0.000 0.279 585 I C -1.633 174.483 176.117 -0.002 0.000 1.045 585 I CA -1.328 59.971 61.300 -0.001 0.000 1.106 585 I CB 1.995 39.995 38.000 -0.000 0.000 1.216 585 I HN 0.536 nan 8.210 nan 0.000 0.459 586 P HA 0.545 nan 4.420 nan 0.000 0.288 586 P C -2.633 174.666 177.300 -0.001 0.000 1.291 586 P CA -0.572 62.527 63.100 -0.002 0.000 0.766 586 P CB -0.342 31.357 31.700 -0.002 0.000 1.242 592 L N 5.308 126.537 121.223 0.010 0.000 2.331 592 L HA 0.408 4.753 4.340 0.007 0.000 0.278 592 L C 0.682 177.541 176.870 -0.019 0.000 1.106 592 L CA -0.006 54.830 54.840 -0.008 0.000 0.824 592 L CB 1.460 43.510 42.059 -0.015 0.000 1.142 592 L HN 0.783 nan 8.230 nan 0.000 0.443 593 S N 1.872 117.558 115.700 -0.023 0.000 2.601 593 S HA 0.231 4.705 4.470 0.007 0.000 0.271 593 S C 1.169 175.741 174.600 -0.046 0.000 1.305 593 S CA 0.024 58.211 58.200 -0.021 0.000 1.022 593 S CB 1.665 64.858 63.200 -0.012 0.000 0.940 593 S HN 0.743 nan 8.310 nan 0.000 0.525 594 E N 1.406 121.592 120.200 -0.024 0.000 2.130 594 E HA -0.223 4.131 4.350 0.007 0.000 0.196 594 E C 1.349 177.948 176.600 -0.002 0.000 0.998 594 E CA 2.005 58.395 56.400 -0.016 0.000 0.806 594 E CB -1.220 28.549 29.700 0.115 0.000 0.738 594 E HN 0.853 nan 8.360 nan 0.000 0.459 595 D N -0.559 119.848 120.400 0.011 0.000 2.224 595 D HA 0.017 4.661 4.640 0.007 0.000 0.205 595 D C 2.210 178.504 176.300 -0.009 0.000 0.965 595 D CA 1.484 55.492 54.000 0.012 0.000 0.852 595 D CB -0.103 40.705 40.800 0.014 0.000 0.947 595 D HN 0.699 nan 8.370 nan 0.000 0.494 596 E N 0.835 121.019 120.200 -0.026 0.000 2.112 596 E HA -0.044 4.310 4.350 0.007 0.000 0.190 596 E C 2.128 178.695 176.600 -0.055 0.000 0.979 596 E CA 0.387 56.767 56.400 -0.033 0.000 0.814 596 E CB -0.687 28.994 29.700 -0.031 0.000 0.762 596 E HN 0.259 nan 8.360 nan 0.000 0.460 597 I N -0.019 120.490 120.570 -0.101 0.000 2.113 597 I HA -0.207 3.968 4.170 0.007 0.000 0.238 597 I C 2.855 178.914 176.117 -0.096 0.000 1.070 597 I CA 1.797 63.000 61.300 -0.161 0.000 1.332 597 I CB -0.207 37.569 38.000 -0.373 0.000 1.044 597 I HN 0.210 nan 8.210 nan 0.000 0.402 598 R N 0.920 121.392 120.500 -0.046 0.000 2.113 598 R HA -0.266 4.078 4.340 0.007 0.000 0.244 598 R C 2.419 178.731 176.300 0.021 0.000 1.142 598 R CA 2.446 58.573 56.100 0.045 0.000 0.953 598 R CB -0.390 29.964 30.300 0.090 0.000 0.860 598 R HN 0.477 nan 8.270 nan 0.000 0.438 599 E N 0.513 120.715 120.200 0.003 0.000 2.152 599 E HA -0.188 4.166 4.350 0.007 0.000 0.192 599 E C 1.552 178.150 176.600 -0.005 0.000 0.983 599 E CA 1.395 57.796 56.400 0.002 0.000 0.818 599 E CB -0.705 28.994 29.700 -0.001 0.000 0.758 599 E HN 0.551 nan 8.360 nan 0.000 0.467 600 D N 0.052 120.443 120.400 -0.016 0.000 2.097 600 D HA -0.060 4.584 4.640 0.007 0.000 0.195 600 D C 1.775 178.068 176.300 -0.011 0.000 0.989 600 D CA 1.075 55.063 54.000 -0.019 0.000 0.827 600 D CB -0.217 40.563 40.800 -0.034 0.000 0.966 600 D HN 0.469 nan 8.370 nan 0.000 0.456 601 I N 0.337 120.904 120.570 -0.006 0.000 2.493 601 I HA -0.135 4.039 4.170 0.007 0.000 0.254 601 I C 2.279 178.405 176.117 0.015 0.000 1.160 601 I CA 0.817 62.122 61.300 0.008 0.000 1.445 601 I CB -0.141 37.876 38.000 0.028 0.000 1.086 601 I HN 0.060 nan 8.210 nan 0.000 0.433 602 E N 0.634 120.843 120.200 0.015 0.000 2.112 602 E HA -0.192 4.163 4.350 0.007 0.000 0.190 602 E C 2.158 178.763 176.600 0.009 0.000 0.979 602 E CA 0.572 56.980 56.400 0.014 0.000 0.814 602 E CB 0.116 29.825 29.700 0.015 0.000 0.762 602 E HN 0.289 nan 8.360 nan 0.000 0.460 603 K N 0.231 120.633 120.400 0.004 0.000 2.026 603 K HA -0.062 4.262 4.320 0.007 0.000 0.208 603 K C 0.007 176.608 176.600 0.003 0.000 1.048 603 K CA 1.143 57.431 56.287 0.002 0.000 0.929 603 K CB 0.237 32.736 32.500 -0.002 0.000 0.713 603 K HN -0.025 nan 8.250 nan 0.000 0.439 604 T N 3.164 117.719 114.554 0.002 0.000 2.963 604 T HA 0.309 4.663 4.350 0.007 0.000 0.328 604 T C -2.694 172.009 174.700 0.005 0.000 1.048 604 T CA -1.436 60.665 62.100 0.002 0.000 1.033 604 T CB 1.881 70.747 68.868 -0.004 0.000 1.010 604 T HN 0.003 nan 8.240 nan 0.000 0.469 605 P HA 0.195 nan 4.420 nan 0.000 0.266 605 P C -0.875 176.436 177.300 0.018 0.000 1.193 605 P CA -0.562 62.549 63.100 0.017 0.000 0.770 605 P CB 0.474 32.187 31.700 0.022 0.000 0.836 606 L N 2.861 124.099 121.223 0.024 0.000 2.406 606 L HA 0.480 4.824 4.340 0.007 0.000 0.272 606 L C -0.417 176.480 176.870 0.045 0.000 0.980 606 L CA -0.453 54.401 54.840 0.025 0.000 0.831 606 L CB 1.340 43.405 42.059 0.010 0.000 1.253 606 L HN 0.183 nan 8.230 nan 0.000 0.406 607 K N 4.235 124.671 120.400 0.060 0.000 2.259 607 K HA 0.780 5.105 4.320 0.007 0.000 0.252 607 K C -1.618 175.047 176.600 0.108 0.000 0.936 607 K CA -0.647 55.702 56.287 0.105 0.000 0.810 607 K CB 1.706 34.279 32.500 0.121 0.000 1.143 607 K HN 0.559 nan 8.250 nan 0.000 0.427 608 I N 2.775 123.432 120.570 0.145 0.000 2.802 608 I HA 0.266 4.440 4.170 0.007 0.000 0.298 608 I C -0.937 175.284 176.117 0.173 0.000 1.176 608 I CA -0.793 60.586 61.300 0.131 0.000 1.025 608 I CB 2.216 40.280 38.000 0.107 0.000 1.243 608 I HN 0.398 nan 8.210 nan 0.000 0.424 609 V N 2.004 122.006 119.914 0.146 0.000 2.667 609 V HA 1.057 5.182 4.120 0.007 0.000 0.308 609 V C -0.533 175.646 176.094 0.141 0.000 1.048 609 V CA -0.555 61.835 62.300 0.150 0.000 0.928 609 V CB 1.464 33.346 31.823 0.098 0.000 1.004 609 V HN 1.008 nan 8.190 nan 0.000 0.444 610 A N 2.574 125.489 122.820 0.158 0.000 2.547 610 A HA 1.073 5.397 4.320 0.007 0.000 0.297 610 A C -0.414 177.253 177.584 0.139 0.000 1.056 610 A CA -0.148 51.999 52.037 0.183 0.000 0.688 610 A CB 1.665 20.814 19.000 0.249 0.000 1.282 610 A HN 2.667 nan 8.150 nan 0.000 0.400 611 A N 0.429 123.316 122.820 0.113 0.000 2.608 611 A HA 0.776 5.101 4.320 0.007 0.000 0.292 611 A C -0.443 177.196 177.584 0.092 0.000 1.066 611 A CA -0.340 51.714 52.037 0.027 0.000 0.676 611 A CB 0.722 19.686 19.000 -0.060 0.000 1.277 611 A HN 1.063 nan 8.150 nan 0.000 0.413 612 T N 1.211 115.818 114.554 0.089 0.000 2.794 612 T HA 0.471 4.826 4.350 0.007 0.000 0.296 612 T C -0.075 174.656 174.700 0.051 0.000 0.949 612 T CA 0.072 62.224 62.100 0.088 0.000 1.101 612 T CB 0.748 69.681 68.868 0.109 0.000 0.905 612 T HN 0.634 nan 8.240 nan 0.000 0.516 613 V N 3.280 123.228 119.914 0.057 0.000 2.834 613 V HA 0.789 4.914 4.120 0.007 0.000 0.313 613 V C 0.973 177.094 176.094 0.045 0.000 1.060 613 V CA 1.071 63.397 62.300 0.044 0.000 0.989 613 V CB 1.248 33.101 31.823 0.051 0.000 1.041 613 V HN 1.205 nan 8.190 nan 0.000 0.459 614 G N 4.300 113.122 108.800 0.035 0.000 2.554 614 G HA2 -0.191 3.773 3.960 0.007 0.000 0.253 614 G HA3 -0.191 3.773 3.960 0.007 0.000 0.253 614 G C 0.113 175.032 174.900 0.033 0.000 1.172 614 G CA 0.365 45.487 45.100 0.037 0.000 0.950 614 G HN 0.688 nan 8.290 nan 0.000 0.557 615 E N 1.229 121.453 120.200 0.040 0.000 2.723 615 E HA 0.299 4.653 4.350 0.007 0.000 0.219 615 E C -0.941 175.685 176.600 0.044 0.000 1.060 615 E CA -0.233 56.188 56.400 0.034 0.000 1.291 615 E CB 0.682 30.402 29.700 0.032 0.000 1.265 615 E HN 0.320 nan 8.360 nan 0.000 0.438 616 D N 1.174 121.608 120.400 0.056 0.000 2.349 616 D HA 0.076 4.720 4.640 0.007 0.000 0.232 616 D C 0.365 176.704 176.300 0.066 0.000 1.071 616 D CA -0.171 53.885 54.000 0.094 0.000 0.832 616 D CB 1.087 41.956 40.800 0.115 0.000 1.086 616 D HN -0.040 nan 8.370 nan 0.000 0.504 617 E N 2.209 122.414 120.200 0.007 0.000 2.476 617 E HA 0.001 4.355 4.350 0.007 0.000 0.196 617 E C -0.301 176.244 176.600 -0.092 0.000 1.029 617 E CA -0.174 56.192 56.400 -0.057 0.000 0.896 617 E CB 0.093 29.734 29.700 -0.098 0.000 1.012 617 E HN 0.530 nan 8.360 nan 0.000 0.475 618 H N 0.371 119.457 119.070 0.026 0.000 2.944 618 H HA 0.041 4.602 4.556 0.008 0.000 0.278 618 H C 1.401 176.758 175.328 0.048 0.000 1.083 618 H CA 0.251 56.317 56.048 0.029 0.000 1.479 618 H CB 0.753 30.526 29.762 0.018 0.000 1.486 618 H HN -0.029 nan 8.280 nan 0.000 0.493 619 S N 1.432 117.216 115.700 0.139 0.000 2.497 619 S HA -0.027 4.447 4.470 0.007 0.000 0.218 619 S C 1.833 176.494 174.600 0.102 0.000 1.023 619 S CA 0.061 58.344 58.200 0.139 0.000 0.913 619 S CB -0.001 63.282 63.200 0.137 0.000 0.800 619 S HN 0.348 nan 8.310 nan 0.000 0.505 620 V N 2.768 122.731 119.914 0.082 0.000 2.287 620 V HA -0.098 4.026 4.120 0.007 0.000 0.248 620 V C 2.918 179.035 176.094 0.038 0.000 1.053 620 V CA 2.207 64.536 62.300 0.048 0.000 1.027 620 V CB -1.629 30.229 31.823 0.057 0.000 0.646 620 V HN 0.639 nan 8.190 nan 0.000 0.447 621 G N -0.155 108.677 108.800 0.053 0.000 2.529 621 G HA2 -0.320 3.645 3.960 0.007 0.000 0.219 621 G HA3 -0.320 3.645 3.960 0.007 0.000 0.219 621 G C 1.575 176.493 174.900 0.030 0.000 1.177 621 G CA 1.464 46.589 45.100 0.042 0.000 0.773 621 G HN 0.437 nan 8.290 nan 0.000 0.573 622 L N 0.529 121.778 121.223 0.044 0.000 2.056 622 L HA 0.117 4.461 4.340 0.007 0.000 0.207 622 L C 2.832 179.685 176.870 -0.029 0.000 1.078 622 L CA 1.626 56.487 54.840 0.036 0.000 0.749 622 L CB -0.581 41.542 42.059 0.108 0.000 0.901 622 L HN 0.155 nan 8.230 nan 0.000 0.433 623 R N -0.732 119.728 120.500 -0.067 0.000 2.189 623 R HA -0.170 4.174 4.340 0.007 0.000 0.223 623 R C 2.074 178.316 176.300 -0.096 0.000 1.092 623 R CA 1.143 57.153 56.100 -0.151 0.000 0.989 623 R CB -0.122 30.074 30.300 -0.173 0.000 0.876 623 R HN 0.384 nan 8.270 nan 0.000 0.457 624 E N 0.332 120.508 120.200 -0.040 0.000 2.152 624 E HA -0.105 4.250 4.350 0.007 0.000 0.192 624 E C 1.574 178.163 176.600 -0.019 0.000 0.983 624 E CA 0.897 57.293 56.400 -0.007 0.000 0.818 624 E CB 0.293 30.015 29.700 0.037 0.000 0.758 624 E HN 0.238 nan 8.360 nan 0.000 0.467 625 V N -1.480 118.412 119.914 -0.036 0.000 3.623 625 V HA 0.182 4.307 4.120 0.007 0.000 0.271 625 V C 1.441 177.497 176.094 -0.063 0.000 1.248 625 V CA 0.524 62.792 62.300 -0.053 0.000 1.156 625 V CB -0.382 31.393 31.823 -0.081 0.000 0.870 625 V HN 0.187 nan 8.190 nan 0.000 0.453 626 I N -0.681 119.840 120.570 -0.081 0.000 3.136 626 I HA 0.219 4.394 4.170 0.007 0.000 0.262 626 I C 0.575 176.617 176.117 -0.125 0.000 1.132 626 I CA 0.015 61.254 61.300 -0.101 0.000 1.450 626 I CB 0.024 37.944 38.000 -0.134 0.000 1.315 626 I HN 0.199 nan 8.210 nan 0.000 0.460 627 D N 1.834 122.151 120.400 -0.137 0.000 2.423 627 D HA 0.010 4.655 4.640 0.007 0.000 0.238 627 D C 1.149 177.362 176.300 -0.145 0.000 1.142 627 D CA 0.377 54.290 54.000 -0.146 0.000 0.884 627 D CB 1.514 42.221 40.800 -0.155 0.000 1.199 627 D HN 0.152 nan 8.370 nan 0.000 0.438 628 I N 1.510 121.991 120.570 -0.149 0.000 2.361 628 I HA -0.326 3.849 4.170 0.007 0.000 0.251 628 I C 2.145 178.176 176.117 -0.143 0.000 1.133 628 I CA 1.328 62.535 61.300 -0.154 0.000 1.413 628 I CB 0.162 38.080 38.000 -0.137 0.000 1.073 628 I HN 0.218 nan 8.210 nan 0.000 0.424 629 K N 1.004 121.303 120.400 -0.169 0.000 2.059 629 K HA -0.252 4.072 4.320 0.007 0.000 0.212 629 K C 1.015 177.493 176.600 -0.203 0.000 1.050 629 K CA 2.023 58.171 56.287 -0.231 0.000 0.927 629 K CB -0.478 31.805 32.500 -0.361 0.000 0.714 629 K HN 0.576 nan 8.250 nan 0.000 0.447 630 H N -1.935 117.089 119.070 -0.077 0.000 2.490 630 H HA 0.316 4.876 4.556 0.008 0.000 0.285 630 H C 0.075 175.352 175.328 -0.085 0.000 1.127 630 H CA -0.196 55.811 56.048 -0.069 0.000 0.993 630 H CB 0.542 30.272 29.762 -0.054 0.000 1.653 630 H HN 0.473 nan 8.280 nan 0.000 0.557 631 G N 0.695 109.486 108.800 -0.014 0.000 2.149 631 G HA2 -0.244 3.720 3.960 0.007 0.000 0.235 631 G HA3 -0.244 3.720 3.960 0.007 0.000 0.235 631 G C 0.688 175.510 174.900 -0.131 0.000 1.018 631 G CA -0.102 44.945 45.100 -0.088 0.000 0.728 631 G HN 0.673 nan 8.290 nan 0.000 0.508 632 G N -0.291 108.431 108.800 -0.131 0.000 2.636 632 G HA2 0.526 4.490 3.960 0.007 0.000 0.246 632 G HA3 0.526 4.490 3.960 0.007 0.000 0.246 632 G C 1.457 176.248 174.900 -0.182 0.000 1.216 632 G CA -0.190 44.838 45.100 -0.121 0.000 0.854 632 G HN 1.217 nan 8.290 nan 0.000 0.572 633 I N -1.628 118.896 120.570 -0.077 0.000 2.850 633 I HA -0.050 4.125 4.170 0.007 0.000 0.266 633 I C 2.070 178.146 176.117 -0.068 0.000 1.257 633 I CA 1.738 63.046 61.300 0.014 0.000 1.465 633 I CB -0.267 37.796 38.000 0.106 0.000 1.091 633 I HN 0.743 nan 8.210 nan 0.000 0.467 634 E N 2.507 122.631 120.200 -0.126 0.000 2.347 634 E HA -0.243 4.112 4.350 0.007 0.000 0.196 634 E C 2.065 178.563 176.600 -0.169 0.000 1.008 634 E CA 0.593 56.925 56.400 -0.114 0.000 0.852 634 E CB -0.303 29.331 29.700 -0.109 0.000 0.783 634 E HN 0.637 nan 8.360 nan 0.000 0.505 635 K N 0.310 120.512 120.400 -0.329 0.000 2.211 635 K HA -0.168 4.156 4.320 0.007 0.000 0.204 635 K C 0.673 177.048 176.600 -0.376 0.000 1.047 635 K CA 1.186 57.213 56.287 -0.434 0.000 0.935 635 K CB -0.059 32.033 32.500 -0.679 0.000 0.728 635 K HN 0.258 nan 8.250 nan 0.000 0.452 636 Y N -0.641 119.646 120.300 -0.022 0.000 2.457 636 Y HA 0.239 4.793 4.550 0.007 0.000 0.263 636 Y C 1.439 177.330 175.900 -0.015 0.000 1.164 636 Y CA 0.209 58.300 58.100 -0.016 0.000 1.274 636 Y CB 0.610 39.062 38.460 -0.014 0.000 1.097 636 Y HN 0.300 nan 8.280 nan 0.000 0.523 637 G N -0.211 108.636 108.800 0.078 0.000 2.141 637 G HA2 -0.255 3.709 3.960 0.007 0.000 0.231 637 G HA3 -0.255 3.709 3.960 0.007 0.000 0.231 637 G C -0.136 174.789 174.900 0.041 0.000 0.984 637 G CA 0.031 45.157 45.100 0.044 0.000 0.660 637 G HN 0.091 nan 8.290 nan 0.000 0.525 638 V N 1.122 121.070 119.914 0.057 0.000 2.529 638 V HA 0.246 4.370 4.120 0.007 0.000 0.292 638 V C 1.007 177.102 176.094 0.002 0.000 1.028 638 V CA 0.341 62.666 62.300 0.041 0.000 1.074 638 V CB 1.441 33.302 31.823 0.064 0.000 0.958 638 V HN 0.461 nan 8.190 nan 0.000 0.481 639 E N 4.508 124.707 120.200 -0.001 0.000 2.166 639 E HA 0.284 4.638 4.350 0.007 0.000 0.279 639 E C -1.006 175.559 176.600 -0.058 0.000 1.095 639 E CA -0.364 56.006 56.400 -0.050 0.000 0.888 639 E CB 0.818 30.511 29.700 -0.013 0.000 1.041 639 E HN 0.559 nan 8.360 nan 0.000 0.414 640 V N 6.130 125.975 119.914 -0.116 0.000 2.370 640 V HA 0.176 4.300 4.120 0.007 0.000 0.283 640 V C -0.220 175.769 176.094 -0.174 0.000 1.023 640 V CA -0.786 61.477 62.300 -0.062 0.000 0.857 640 V CB 1.249 33.062 31.823 -0.018 0.000 0.985 640 V HN 0.667 nan 8.190 nan 0.000 0.443 641 H N 4.545 123.667 119.070 0.088 0.000 2.597 641 H HA 0.298 4.858 4.556 0.007 0.000 0.303 641 H C -1.283 174.133 175.328 0.147 0.000 1.057 641 H CA -0.247 55.858 56.048 0.095 0.000 1.261 641 H CB 1.375 31.172 29.762 0.057 0.000 1.397 641 H HN 0.684 nan 8.280 nan 0.000 0.461 642 Y N 4.330 124.680 120.300 0.083 0.000 2.328 642 Y HA 0.189 4.744 4.550 0.007 0.000 0.337 642 Y C 0.056 175.989 175.900 0.055 0.000 0.966 642 Y CA -0.818 57.314 58.100 0.054 0.000 1.136 642 Y CB 0.701 39.173 38.460 0.019 0.000 1.170 642 Y HN 0.521 nan 8.280 nan 0.000 0.470 643 L N 5.743 126.687 121.223 -0.464 0.000 2.640 643 L HA 0.434 4.778 4.340 0.007 0.000 0.230 643 L C 1.139 177.700 176.870 -0.515 0.000 1.123 643 L CA 0.383 55.014 54.840 -0.349 0.000 0.900 643 L CB -0.531 41.429 42.059 -0.164 0.000 1.146 643 L HN 0.987 nan 8.230 nan 0.000 0.484 644 G N 1.019 109.157 108.800 -1.104 0.000 2.482 644 G HA2 -0.214 3.750 3.960 0.007 0.000 0.214 644 G HA3 -0.214 3.750 3.960 0.007 0.000 0.214 644 G C -0.135 174.583 174.900 -0.304 0.000 1.271 644 G CA -0.256 44.436 45.100 -0.681 0.000 0.944 644 G HN 0.235 nan 8.290 nan 0.000 0.568 645 T N -3.200 111.290 114.554 -0.107 0.000 2.927 645 T HA 0.687 5.041 4.350 0.007 0.000 0.286 645 T C 0.788 175.474 174.700 -0.024 0.000 1.040 645 T CA 0.803 62.891 62.100 -0.020 0.000 1.010 645 T CB 1.597 70.480 68.868 0.024 0.000 1.177 645 T HN 2.264 nan 8.240 nan 0.000 0.546 646 S N -0.474 115.227 115.700 0.002 0.000 3.549 646 S HA -0.103 4.372 4.470 0.007 0.000 0.366 646 S C 0.019 174.615 174.600 -0.008 0.000 1.012 646 S CA 0.264 58.465 58.200 0.003 0.000 1.141 646 S CB -1.651 61.548 63.200 -0.002 0.000 0.910 646 S HN 0.777 nan 8.310 nan 0.000 0.471 647 V N 2.586 122.493 119.914 -0.011 0.000 2.364 647 V HA 0.318 4.443 4.120 0.007 0.000 0.272 647 V C -1.824 174.270 176.094 -0.001 0.000 1.036 647 V CA -1.856 60.432 62.300 -0.019 0.000 0.880 647 V CB 1.276 33.075 31.823 -0.039 0.000 0.991 647 V HN 0.108 nan 8.190 nan 0.000 0.460 648 P HA 0.105 nan 4.420 nan 0.000 0.269 648 P C 1.110 178.417 177.300 0.011 0.000 1.209 648 P CA -0.006 63.099 63.100 0.008 0.000 0.776 648 P CB 0.813 32.516 31.700 0.006 0.000 0.876 649 V N 2.242 122.168 119.914 0.019 0.000 2.324 649 V HA -0.272 3.852 4.120 0.007 0.000 0.250 649 V C 2.278 178.383 176.094 0.018 0.000 1.060 649 V CA 2.434 64.749 62.300 0.024 0.000 1.042 649 V CB -1.054 30.787 31.823 0.030 0.000 0.650 649 V HN 0.719 nan 8.190 nan 0.000 0.450 650 E N -0.078 120.129 120.200 0.012 0.000 2.107 650 E HA -0.259 4.096 4.350 0.007 0.000 0.191 650 E C 2.170 178.772 176.600 0.003 0.000 0.982 650 E CA 1.231 57.635 56.400 0.007 0.000 0.809 650 E CB -0.077 29.625 29.700 0.004 0.000 0.756 650 E HN 0.476 nan 8.360 nan 0.000 0.459 651 K N 0.230 120.630 120.400 0.001 0.000 2.034 651 K HA -0.194 4.130 4.320 0.007 0.000 0.214 651 K C 2.016 178.613 176.600 -0.004 0.000 1.051 651 K CA 1.472 57.756 56.287 -0.005 0.000 0.931 651 K CB -0.404 32.090 32.500 -0.010 0.000 0.715 651 K HN 0.158 nan 8.250 nan 0.000 0.446 652 L N -0.059 121.166 121.223 0.003 0.000 2.056 652 L HA -0.112 4.233 4.340 0.007 0.000 0.207 652 L C 1.865 178.746 176.870 0.018 0.000 1.078 652 L CA 1.458 56.305 54.840 0.012 0.000 0.749 652 L CB -0.321 41.752 42.059 0.024 0.000 0.901 652 L HN 0.015 nan 8.230 nan 0.000 0.433 653 V N -0.492 119.433 119.914 0.018 0.000 2.358 653 V HA -0.235 3.889 4.120 0.007 0.000 0.246 653 V C 2.249 178.347 176.094 0.007 0.000 1.047 653 V CA 1.757 64.067 62.300 0.017 0.000 1.035 653 V CB -0.731 31.100 31.823 0.013 0.000 0.658 653 V HN 0.393 nan 8.190 nan 0.000 0.452 654 D N 0.533 120.933 120.400 0.001 0.000 2.097 654 D HA -0.122 4.523 4.640 0.007 0.000 0.195 654 D C 2.251 178.545 176.300 -0.010 0.000 0.989 654 D CA 1.682 55.679 54.000 -0.005 0.000 0.827 654 D CB -0.366 40.429 40.800 -0.007 0.000 0.966 654 D HN 0.402 nan 8.370 nan 0.000 0.456 655 A N 1.025 123.839 122.820 -0.011 0.000 1.883 655 A HA -0.118 4.206 4.320 0.007 0.000 0.217 655 A C 2.332 179.903 177.584 -0.023 0.000 1.186 655 A CA 2.506 54.531 52.037 -0.021 0.000 0.624 655 A CB -0.898 18.092 19.000 -0.016 0.000 0.822 655 A HN 0.240 nan 8.150 nan 0.000 0.444 656 A N -0.113 122.705 122.820 -0.003 0.000 1.917 656 A HA -0.161 4.163 4.320 0.007 0.000 0.219 656 A C 2.118 179.699 177.584 -0.006 0.000 1.182 656 A CA 1.774 53.814 52.037 0.005 0.000 0.633 656 A CB -0.657 18.358 19.000 0.026 0.000 0.819 656 A HN 0.541 nan 8.150 nan 0.000 0.448 657 I N -0.999 119.567 120.570 -0.007 0.000 2.286 657 I HA -0.192 3.982 4.170 0.007 0.000 0.245 657 I C 2.543 178.648 176.117 -0.020 0.000 1.104 657 I CA 1.437 62.731 61.300 -0.010 0.000 1.397 657 I CB -0.323 37.672 38.000 -0.008 0.000 1.072 657 I HN 0.460 nan 8.210 nan 0.000 0.417 658 E N 1.307 121.490 120.200 -0.028 0.000 2.110 658 E HA -0.195 4.159 4.350 0.007 0.000 0.193 658 E C 2.080 178.646 176.600 -0.056 0.000 0.988 658 E CA 1.214 57.591 56.400 -0.038 0.000 0.804 658 E CB 0.089 29.764 29.700 -0.042 0.000 0.745 658 E HN 0.485 nan 8.360 nan 0.000 0.458 659 L N 0.106 121.285 121.223 -0.074 0.000 2.607 659 L HA 0.106 4.451 4.340 0.007 0.000 0.228 659 L C 0.242 177.072 176.870 -0.065 0.000 1.123 659 L CA 0.101 54.871 54.840 -0.115 0.000 0.890 659 L CB 0.182 42.112 42.059 -0.215 0.000 1.103 659 L HN -0.001 nan 8.230 nan 0.000 0.468 660 K N -0.189 120.192 120.400 -0.033 0.000 3.096 660 K HA -0.189 4.136 4.320 0.007 0.000 0.266 660 K C 0.357 176.960 176.600 0.004 0.000 1.043 660 K CA 0.362 56.643 56.287 -0.011 0.000 0.758 660 K CB -1.912 30.583 32.500 -0.008 0.000 1.260 660 K HN 0.313 nan 8.250 nan 0.000 0.481 661 A N 0.854 123.679 122.820 0.009 0.000 2.406 661 A HA 0.089 4.413 4.320 0.007 0.000 0.243 661 A C 1.096 178.701 177.584 0.036 0.000 1.082 661 A CA 0.074 52.132 52.037 0.035 0.000 0.786 661 A CB 0.279 19.308 19.000 0.049 0.000 1.029 661 A HN 0.320 nan 8.150 nan 0.000 0.495 662 D N -0.124 120.301 120.400 0.043 0.000 2.327 662 D HA 0.334 4.978 4.640 0.007 0.000 0.205 662 D C 0.524 176.848 176.300 0.040 0.000 0.989 662 D CA 1.464 55.482 54.000 0.030 0.000 0.873 662 D CB 0.346 41.155 40.800 0.015 0.000 0.955 662 D HN 0.678 nan 8.370 nan 0.000 0.515 663 A N 0.328 123.186 122.820 0.064 0.000 2.606 663 A HA 0.640 4.964 4.320 0.007 0.000 0.293 663 A C -1.429 176.223 177.584 0.112 0.000 1.082 663 A CA -0.620 51.474 52.037 0.095 0.000 0.685 663 A CB 1.369 20.432 19.000 0.106 0.000 1.284 663 A HN -0.002 nan 8.150 nan 0.000 0.408 664 I N 1.468 122.119 120.570 0.136 0.000 2.355 664 I HA 0.359 4.533 4.170 0.007 0.000 0.288 664 I C -0.937 175.282 176.117 0.170 0.000 0.999 664 I CA -0.247 61.133 61.300 0.134 0.000 1.163 664 I CB 1.346 39.416 38.000 0.117 0.000 1.316 664 I HN 0.426 nan 8.210 nan 0.000 0.454 665 L N 6.503 127.822 121.223 0.160 0.000 2.305 665 L HA 0.792 5.136 4.340 0.007 0.000 0.284 665 L C -0.042 176.913 176.870 0.142 0.000 1.013 665 L CA -0.419 54.520 54.840 0.166 0.000 0.819 665 L CB 1.584 43.728 42.059 0.141 0.000 1.227 665 L HN 0.665 nan 8.230 nan 0.000 0.417 666 A N 2.481 125.384 122.820 0.138 0.000 2.454 666 A HA 0.784 5.109 4.320 0.007 0.000 0.302 666 A C -0.831 176.822 177.584 0.114 0.000 1.079 666 A CA -0.472 51.636 52.037 0.118 0.000 0.731 666 A CB 2.197 21.257 19.000 0.100 0.000 1.299 666 A HN 0.512 nan 8.150 nan 0.000 0.413 667 S N -0.424 115.339 115.700 0.105 0.000 2.532 667 S HA 0.789 5.263 4.470 0.007 0.000 0.301 667 S C -0.728 173.920 174.600 0.080 0.000 1.083 667 S CA -0.198 58.059 58.200 0.095 0.000 1.025 667 S CB 1.439 64.702 63.200 0.104 0.000 1.056 667 S HN 0.952 nan 8.310 nan 0.000 0.494 668 T N 5.018 119.609 114.554 0.062 0.000 3.337 668 T HA 0.296 4.650 4.350 0.007 0.000 0.321 668 T C 0.353 175.053 174.700 -0.001 0.000 0.852 668 T CA -0.439 61.689 62.100 0.047 0.000 1.242 668 T CB -0.170 68.734 68.868 0.059 0.000 0.979 668 T HN 0.477 nan 8.240 nan 0.000 0.508 669 I N 2.075 122.631 120.570 -0.024 0.000 2.512 669 I HA 0.296 4.470 4.170 0.007 0.000 0.247 669 I C 1.347 177.347 176.117 -0.196 0.000 1.094 669 I CA 0.416 61.642 61.300 -0.123 0.000 1.427 669 I CB -0.547 37.347 38.000 -0.177 0.000 1.149 669 I HN 0.547 nan 8.210 nan 0.000 0.438 670 I N 2.099 122.592 120.570 -0.129 0.000 2.710 670 I HA -0.119 4.055 4.170 0.007 0.000 0.286 670 I C 1.130 177.155 176.117 -0.153 0.000 1.181 670 I CA 0.548 61.787 61.300 -0.102 0.000 1.430 670 I CB 0.587 38.605 38.000 0.028 0.000 1.367 670 I HN 0.254 nan 8.210 nan 0.000 0.577 671 S N 3.046 118.612 115.700 -0.223 0.000 2.847 671 S HA 0.057 4.531 4.470 0.007 0.000 0.254 671 S C 0.177 174.697 174.600 -0.134 0.000 1.039 671 S CA -0.526 57.394 58.200 -0.466 0.000 1.113 671 S CB -0.330 62.335 63.200 -0.891 0.000 1.092 671 S HN 0.719 nan 8.310 nan 0.000 0.620 672 H N 2.574 121.590 119.070 -0.090 0.000 3.004 672 H HA 0.340 4.900 4.556 0.007 0.000 0.316 672 H C 0.479 175.823 175.328 0.027 0.000 1.014 672 H CA 1.697 57.732 56.048 -0.022 0.000 1.454 672 H CB 0.093 29.848 29.762 -0.012 0.000 1.472 672 H HN 0.230 nan 8.280 nan 0.000 0.571 673 D N 3.396 123.536 120.400 -0.434 0.000 3.103 673 D HA -0.198 4.446 4.640 0.007 0.000 0.211 673 D C -0.464 175.810 176.300 -0.044 0.000 1.100 673 D CA 1.239 55.054 54.000 -0.307 0.000 0.961 673 D CB -1.341 39.250 40.800 -0.349 0.000 1.093 673 D HN 0.923 nan 8.370 nan 0.000 0.427 674 D N -1.025 119.424 120.400 0.082 0.000 2.811 674 D HA -0.258 4.386 4.640 0.007 0.000 0.231 674 D C 1.393 177.834 176.300 0.236 0.000 1.157 674 D CA 0.934 55.096 54.000 0.271 0.000 0.716 674 D CB -1.220 39.708 40.800 0.213 0.000 1.077 674 D HN 0.523 nan 8.370 nan 0.000 0.428 675 I N 0.964 121.644 120.570 0.183 0.000 2.335 675 I HA -0.296 3.878 4.170 0.007 0.000 0.251 675 I C 2.449 178.657 176.117 0.151 0.000 1.129 675 I CA 1.916 63.290 61.300 0.124 0.000 1.402 675 I CB -0.146 37.901 38.000 0.078 0.000 1.069 675 I HN 0.266 nan 8.210 nan 0.000 0.424 676 H N -0.339 118.674 119.070 -0.095 0.000 2.290 676 H HA -0.248 4.313 4.556 0.007 0.000 0.298 676 H C 1.993 177.225 175.328 -0.160 0.000 1.087 676 H CA 2.383 58.324 56.048 -0.178 0.000 1.291 676 H CB -1.970 27.596 29.762 -0.326 0.000 1.369 676 H HN 0.396 nan 8.280 nan 0.000 0.492 677 Y N 1.352 121.448 120.300 -0.339 0.000 2.242 677 Y HA -0.024 4.530 4.550 0.006 0.000 0.291 677 Y C 2.859 178.702 175.900 -0.095 0.000 1.137 677 Y CA 0.888 58.831 58.100 -0.262 0.000 1.181 677 Y CB -0.371 37.881 38.460 -0.346 0.000 0.989 677 Y HN 0.153 nan 8.280 nan 0.000 0.527 678 K N 0.128 120.581 120.400 0.088 0.000 2.001 678 K HA -0.213 4.111 4.320 0.007 0.000 0.214 678 K C 1.857 178.496 176.600 0.065 0.000 1.050 678 K CA 1.681 58.010 56.287 0.070 0.000 0.934 678 K CB -0.254 32.283 32.500 0.061 0.000 0.718 678 K HN 0.232 nan 8.250 nan 0.000 0.443 679 N N 0.481 119.218 118.700 0.062 0.000 2.272 679 N HA -0.153 4.592 4.740 0.007 0.000 0.185 679 N C 1.683 177.234 175.510 0.068 0.000 1.014 679 N CA 1.298 54.384 53.050 0.060 0.000 0.870 679 N CB -0.067 38.455 38.487 0.059 0.000 0.975 679 N HN 0.289 nan 8.380 nan 0.000 0.433 680 M N 0.612 120.255 119.600 0.073 0.000 2.077 680 M HA -0.129 4.356 4.480 0.007 0.000 0.261 680 M C 2.230 178.589 176.300 0.098 0.000 1.070 680 M CA 1.275 56.627 55.300 0.085 0.000 1.125 680 M CB -0.348 32.306 32.600 0.089 0.000 1.339 680 M HN -0.026 nan 8.290 nan 0.000 0.409 681 K N 0.983 121.434 120.400 0.086 0.000 2.020 681 K HA -0.190 4.134 4.320 0.007 0.000 0.212 681 K C 2.019 178.684 176.600 0.108 0.000 1.050 681 K CA 1.761 58.103 56.287 0.092 0.000 0.929 681 K CB -0.119 32.418 32.500 0.060 0.000 0.714 681 K HN 0.201 nan 8.250 nan 0.000 0.443 682 R N -0.143 120.403 120.500 0.077 0.000 2.103 682 R HA -0.157 4.187 4.340 0.007 0.000 0.242 682 R C 2.328 178.663 176.300 0.059 0.000 1.142 682 R CA 1.738 57.873 56.100 0.060 0.000 0.960 682 R CB -0.468 29.860 30.300 0.047 0.000 0.858 682 R HN 0.239 nan 8.270 nan 0.000 0.439 683 I N -0.600 120.016 120.570 0.077 0.000 2.333 683 I HA -0.179 3.995 4.170 0.007 0.000 0.246 683 I C 2.336 178.501 176.117 0.080 0.000 1.106 683 I CA 1.365 62.707 61.300 0.071 0.000 1.411 683 I CB -0.580 37.470 38.000 0.083 0.000 1.082 683 I HN 0.156 nan 8.210 nan 0.000 0.420 684 H N 0.870 119.961 119.070 0.035 0.000 2.352 684 H HA -0.176 4.384 4.556 0.007 0.000 0.299 684 H C 2.060 177.403 175.328 0.025 0.000 1.097 684 H CA 2.233 58.300 56.048 0.031 0.000 1.311 684 H CB 0.004 29.781 29.762 0.026 0.000 1.377 684 H HN 0.398 nan 8.280 nan 0.000 0.504 685 E N -0.309 119.824 120.200 -0.112 0.000 2.112 685 E HA -0.050 4.304 4.350 0.007 0.000 0.190 685 E C 2.246 178.770 176.600 -0.127 0.000 0.979 685 E CA 0.705 57.003 56.400 -0.169 0.000 0.814 685 E CB 0.038 29.729 29.700 -0.015 0.000 0.762 685 E HN 0.453 nan 8.360 nan 0.000 0.460 686 L N 0.294 121.479 121.223 -0.063 0.000 2.362 686 L HA -0.128 4.216 4.340 0.007 0.000 0.219 686 L C 2.233 179.071 176.870 -0.054 0.000 1.134 686 L CA 0.544 55.358 54.840 -0.043 0.000 0.807 686 L CB -0.144 41.908 42.059 -0.011 0.000 0.927 686 L HN 0.161 nan 8.230 nan 0.000 0.447 687 A N -0.775 121.995 122.820 -0.084 0.000 1.878 687 A HA -0.074 4.250 4.320 0.007 0.000 0.213 687 A C 2.257 179.779 177.584 -0.103 0.000 1.192 687 A CA 0.938 52.933 52.037 -0.070 0.000 0.619 687 A CB -0.638 18.335 19.000 -0.046 0.000 0.837 687 A HN 0.081 nan 8.150 nan 0.000 0.446 688 V N 0.772 120.563 119.914 -0.206 0.000 2.215 688 V HA -0.300 3.824 4.120 0.007 0.000 0.249 688 V C 2.243 178.279 176.094 -0.097 0.000 1.054 688 V CA 2.288 64.476 62.300 -0.186 0.000 1.012 688 V CB -0.709 30.937 31.823 -0.295 0.000 0.639 688 V HN 0.768 nan 8.190 nan 0.000 0.448 689 E N -0.158 119.989 120.200 -0.088 0.000 2.401 689 E HA -0.138 4.216 4.350 0.007 0.000 0.203 689 E C 0.956 177.534 176.600 -0.036 0.000 1.229 689 E CA 0.496 56.867 56.400 -0.050 0.000 1.000 689 E CB -0.163 29.512 29.700 -0.041 0.000 1.052 689 E HN 0.543 nan 8.360 nan 0.000 0.497 690 K N -1.577 118.801 120.400 -0.037 0.000 2.603 690 K HA 0.118 4.443 4.320 0.007 0.000 0.202 690 K C 0.689 177.278 176.600 -0.019 0.000 1.279 690 K CA 0.368 56.640 56.287 -0.024 0.000 1.056 690 K CB 1.364 33.852 32.500 -0.020 0.000 1.062 690 K HN 0.217 nan 8.250 nan 0.000 0.606 691 G N 2.236 111.023 108.800 -0.023 0.000 2.320 691 G HA2 -0.342 3.622 3.960 0.007 0.000 0.242 691 G HA3 -0.342 3.622 3.960 0.007 0.000 0.242 691 G C 0.904 175.798 174.900 -0.010 0.000 1.033 691 G CA 0.578 45.669 45.100 -0.015 0.000 0.620 691 G HN 0.380 nan 8.290 nan 0.000 0.517 692 I N -0.951 119.613 120.570 -0.010 0.000 3.111 692 I HA 0.326 4.500 4.170 0.007 0.000 0.272 692 I C 2.250 178.372 176.117 0.009 0.000 1.268 692 I CA 1.457 62.758 61.300 0.001 0.000 1.467 692 I CB -0.255 37.747 38.000 0.004 0.000 1.087 692 I HN 0.119 nan 8.210 nan 0.000 0.467 693 R N 3.062 123.560 120.500 -0.002 0.000 2.154 693 R HA -0.239 4.105 4.340 0.007 0.000 0.248 693 R C 1.743 178.071 176.300 0.047 0.000 1.155 693 R CA 2.354 58.464 56.100 0.016 0.000 0.979 693 R CB -0.768 29.520 30.300 -0.020 0.000 0.869 693 R HN 0.770 nan 8.270 nan 0.000 0.452 694 D N -0.937 119.483 120.400 0.035 0.000 2.349 694 D HA -0.058 4.586 4.640 0.007 0.000 0.215 694 D C 0.156 176.475 176.300 0.032 0.000 1.016 694 D CA 0.521 54.545 54.000 0.039 0.000 0.870 694 D CB 0.042 40.861 40.800 0.031 0.000 0.917 694 D HN 0.258 nan 8.370 nan 0.000 0.524 695 K N 0.092 120.509 120.400 0.028 0.000 2.618 695 K HA 0.330 4.654 4.320 0.007 0.000 0.207 695 K C -0.299 176.318 176.600 0.028 0.000 1.058 695 K CA -0.294 56.007 56.287 0.023 0.000 1.086 695 K CB 1.356 33.866 32.500 0.015 0.000 0.827 695 K HN 0.070 nan 8.250 nan 0.000 0.481 696 I N 1.460 122.056 120.570 0.042 0.000 2.680 696 I HA 0.310 4.484 4.170 0.007 0.000 0.291 696 I C -1.512 174.654 176.117 0.082 0.000 1.244 696 I CA -0.741 60.591 61.300 0.053 0.000 1.042 696 I CB 1.934 39.965 38.000 0.052 0.000 1.277 696 I HN 0.116 nan 8.210 nan 0.000 0.423 697 M N 7.621 127.275 119.600 0.090 0.000 2.264 697 M HA 0.530 5.014 4.480 0.007 0.000 0.352 697 M C -0.762 175.669 176.300 0.220 0.000 1.173 697 M CA -0.421 54.971 55.300 0.154 0.000 1.075 697 M CB 1.661 34.304 32.600 0.072 0.000 1.621 697 M HN 0.275 nan 8.290 nan 0.000 0.457 698 I N 1.808 122.547 120.570 0.281 0.000 2.410 698 I HA 0.542 4.717 4.170 0.007 0.000 0.286 698 I C 0.159 176.447 176.117 0.286 0.000 1.009 698 I CA -0.487 60.961 61.300 0.248 0.000 1.111 698 I CB 1.953 40.063 38.000 0.183 0.000 1.262 698 I HN 0.798 nan 8.210 nan 0.000 0.443 699 G N 4.801 113.787 108.800 0.310 0.000 2.416 699 G HA2 0.626 4.591 3.960 0.007 0.000 0.329 699 G HA3 0.626 4.591 3.960 0.007 0.000 0.329 699 G C -1.306 173.736 174.900 0.236 0.000 1.173 699 G CA -0.296 44.971 45.100 0.279 0.000 0.929 699 G HN 0.621 nan 8.290 nan 0.000 0.475 700 C N 0.811 120.241 119.300 0.217 0.000 2.482 700 C HA 0.934 5.398 4.460 0.007 0.000 0.317 700 C C 0.689 175.819 174.990 0.233 0.000 1.197 700 C CA -0.359 58.766 59.018 0.177 0.000 1.432 700 C CB 1.216 29.017 27.740 0.102 0.000 2.062 700 C HN 1.031 nan 8.230 nan 0.000 0.471 701 G N 0.895 109.813 108.800 0.196 0.000 2.630 701 G HA2 0.909 4.873 3.960 0.007 0.000 0.296 701 G HA3 0.909 4.873 3.960 0.007 0.000 0.296 701 G C -0.710 174.254 174.900 0.107 0.000 1.285 701 G CA -0.203 45.014 45.100 0.195 0.000 0.958 701 G HN 1.399 nan 8.290 nan 0.000 0.479 702 G N -1.613 107.241 108.800 0.090 0.000 2.376 702 G HA2 0.461 4.425 3.960 0.007 0.000 0.302 702 G HA3 0.461 4.425 3.960 0.007 0.000 0.302 702 G C 0.554 175.467 174.900 0.021 0.000 1.586 702 G CA 0.507 45.629 45.100 0.037 0.000 0.907 702 G HN 0.887 nan 8.290 nan 0.000 0.655 703 T N 0.581 115.125 114.554 -0.017 0.000 2.649 703 T HA -0.186 4.168 4.350 0.007 0.000 0.268 703 T C 1.658 176.348 174.700 -0.017 0.000 1.036 703 T CA 1.890 63.977 62.100 -0.023 0.000 1.157 703 T CB -0.104 68.728 68.868 -0.060 0.000 0.861 703 T HN 0.455 nan 8.240 nan 0.000 0.445 704 Q N 0.758 120.525 119.800 -0.055 0.000 2.222 704 Q HA 0.296 4.640 4.340 0.007 0.000 0.206 704 Q C -0.219 175.839 176.000 0.095 0.000 0.877 704 Q CA -0.011 55.777 55.803 -0.024 0.000 0.958 704 Q CB 0.102 28.736 28.738 -0.174 0.000 1.075 704 Q HN 0.356 nan 8.270 nan 0.000 0.483 705 V N 1.918 121.879 119.914 0.079 0.000 2.432 705 V HA 0.143 4.268 4.120 0.007 0.000 0.271 705 V C 0.401 176.575 176.094 0.133 0.000 1.046 705 V CA 0.045 62.397 62.300 0.087 0.000 0.945 705 V CB 1.306 33.160 31.823 0.053 0.000 0.992 705 V HN 0.065 nan 8.190 nan 0.000 0.471 706 T N 9.301 123.991 114.554 0.227 0.000 2.728 706 T HA 0.229 4.583 4.350 0.007 0.000 0.296 706 T C -1.580 173.155 174.700 0.058 0.000 0.940 706 T CA -0.953 61.217 62.100 0.118 0.000 1.013 706 T CB 1.644 70.573 68.868 0.103 0.000 0.912 706 T HN 0.471 nan 8.240 nan 0.000 0.484 707 P HA -0.135 nan 4.420 nan 0.000 0.216 707 P C 1.253 178.477 177.300 -0.128 0.000 1.153 707 P CA 1.093 64.112 63.100 -0.135 0.000 0.858 707 P CB 0.299 31.873 31.700 -0.210 0.000 0.789 708 E N -0.794 119.341 120.200 -0.108 0.000 2.085 708 E HA -0.126 4.229 4.350 0.007 0.000 0.194 708 E C 1.989 178.504 176.600 -0.141 0.000 0.994 708 E CA 1.030 57.360 56.400 -0.117 0.000 0.801 708 E CB -1.240 28.401 29.700 -0.097 0.000 0.743 708 E HN 0.029 nan 8.360 nan 0.000 0.453 709 V N 0.833 120.651 119.914 -0.161 0.000 2.490 709 V HA -0.242 3.883 4.120 0.007 0.000 0.250 709 V C 2.139 178.032 176.094 -0.335 0.000 1.061 709 V CA 1.710 63.810 62.300 -0.333 0.000 1.064 709 V CB -0.784 30.720 31.823 -0.531 0.000 0.670 709 V HN 0.348 nan 8.190 nan 0.000 0.461 710 A N -0.292 122.473 122.820 -0.091 0.000 1.929 710 A HA -0.086 4.239 4.320 0.007 0.000 0.216 710 A C 2.337 179.874 177.584 -0.078 0.000 1.176 710 A CA 1.591 53.642 52.037 0.024 0.000 0.628 710 A CB -0.481 18.560 19.000 0.069 0.000 0.816 710 A HN 0.333 nan 8.150 nan 0.000 0.444 711 V N 0.334 120.173 119.914 -0.125 0.000 2.515 711 V HA -0.191 3.933 4.120 0.007 0.000 0.250 711 V C 2.052 178.061 176.094 -0.141 0.000 1.058 711 V CA 1.928 64.147 62.300 -0.134 0.000 1.064 711 V CB -0.599 31.141 31.823 -0.138 0.000 0.675 711 V HN 0.500 nan 8.190 nan 0.000 0.461 712 K N 0.011 120.319 120.400 -0.153 0.000 2.574 712 K HA -0.069 4.255 4.320 0.007 0.000 0.193 712 K C 1.669 178.174 176.600 -0.158 0.000 1.035 712 K CA 0.475 56.669 56.287 -0.155 0.000 0.982 712 K CB 0.032 32.431 32.500 -0.169 0.000 0.795 712 K HN 0.483 nan 8.250 nan 0.000 0.491 713 Q N -1.151 118.560 119.800 -0.150 0.000 2.319 713 Q HA 0.098 4.442 4.340 0.007 0.000 0.209 713 Q C 1.182 177.060 176.000 -0.202 0.000 0.884 713 Q CA 0.703 56.434 55.803 -0.120 0.000 0.938 713 Q CB 1.542 30.254 28.738 -0.044 0.000 1.098 713 Q HN 0.476 nan 8.270 nan 0.000 0.517 714 G N 0.850 109.472 108.800 -0.296 0.000 2.211 714 G HA2 -0.243 3.722 3.960 0.007 0.000 0.201 714 G HA3 -0.243 3.722 3.960 0.007 0.000 0.201 714 G C 0.393 175.049 174.900 -0.406 0.000 0.997 714 G CA 0.143 44.858 45.100 -0.642 0.000 0.652 714 G HN 0.280 nan 8.290 nan 0.000 0.500 715 V N -1.629 118.195 119.914 -0.150 0.000 3.214 715 V HA 0.664 4.789 4.120 0.007 0.000 0.306 715 V C 1.181 177.253 176.094 -0.036 0.000 1.078 715 V CA 0.418 62.708 62.300 -0.017 0.000 1.077 715 V CB 1.197 33.035 31.823 0.026 0.000 1.121 715 V HN 0.019 nan 8.190 nan 0.000 0.468 716 D N 1.408 121.823 120.400 0.024 0.000 2.120 716 D HA 0.250 4.894 4.640 0.007 0.000 0.202 716 D C 0.724 176.926 176.300 -0.162 0.000 0.972 716 D CA 1.989 56.009 54.000 0.035 0.000 0.837 716 D CB 0.284 41.245 40.800 0.269 0.000 0.989 716 D HN 0.918 nan 8.370 nan 0.000 0.469 717 A N -0.086 122.516 122.820 -0.364 0.000 2.475 717 A HA 0.652 4.976 4.320 0.007 0.000 0.301 717 A C -0.295 176.910 177.584 -0.632 0.000 1.059 717 A CA -0.302 51.304 52.037 -0.719 0.000 0.710 717 A CB 2.274 20.391 19.000 -1.471 0.000 1.288 717 A HN 0.107 nan 8.150 nan 0.000 0.408 718 G N -0.088 108.265 108.800 -0.745 0.000 2.542 718 G HA2 0.677 4.641 3.960 0.007 0.000 0.311 718 G HA3 0.677 4.641 3.960 0.007 0.000 0.311 718 G C -1.515 172.971 174.900 -0.690 0.000 1.298 718 G CA -0.415 44.410 45.100 -0.458 0.000 0.973 718 G HN 0.407 nan 8.290 nan 0.000 0.487 719 F N 0.903 120.828 119.950 -0.041 0.000 2.536 719 F HA 0.648 5.179 4.527 0.007 0.000 0.322 719 F C 0.753 176.559 175.800 0.010 0.000 1.144 719 F CA -0.479 57.510 58.000 -0.017 0.000 0.924 719 F CB 2.541 41.540 39.000 -0.001 0.000 1.181 719 F HN 0.729 nan 8.300 nan 0.000 0.438 720 G N 1.803 110.708 108.800 0.175 0.000 2.990 720 G HA2 0.479 4.443 3.960 0.007 0.000 0.208 720 G HA3 0.479 4.443 3.960 0.007 0.000 0.208 720 G C -0.511 174.454 174.900 0.107 0.000 1.334 720 G CA -1.154 44.013 45.100 0.113 0.000 1.024 720 G HN 0.505 nan 8.290 nan 0.000 0.574 721 R N -0.608 119.934 120.500 0.070 0.000 2.505 721 R HA 0.169 4.513 4.340 0.007 0.000 0.274 721 R C 1.391 177.739 176.300 0.080 0.000 0.955 721 R CA 1.522 57.657 56.100 0.059 0.000 1.109 721 R CB -0.122 30.201 30.300 0.038 0.000 0.890 721 R HN 1.318 nan 8.270 nan 0.000 0.415 722 G N 1.896 110.742 108.800 0.076 0.000 2.168 722 G HA2 -0.317 3.648 3.960 0.007 0.000 0.263 722 G HA3 -0.317 3.648 3.960 0.007 0.000 0.263 722 G C -0.021 174.977 174.900 0.164 0.000 0.977 722 G CA 0.434 45.591 45.100 0.095 0.000 0.659 722 G HN 0.600 nan 8.290 nan 0.000 0.533 723 S N 0.078 115.889 115.700 0.185 0.000 2.593 723 S HA 0.607 5.081 4.470 0.007 0.000 0.269 723 S C 0.394 175.063 174.600 0.116 0.000 1.334 723 S CA 0.090 58.467 58.200 0.294 0.000 1.015 723 S CB 1.547 64.901 63.200 0.256 0.000 0.912 723 S HN 0.597 nan 8.310 nan 0.000 0.541 724 K N -0.138 120.258 120.400 -0.006 0.000 2.480 724 K HA 0.483 4.807 4.320 0.007 0.000 0.258 724 K C 1.326 177.842 176.600 -0.140 0.000 0.990 724 K CA -0.910 55.285 56.287 -0.154 0.000 0.857 724 K CB 1.063 33.402 32.500 -0.268 0.000 1.384 724 K HN 0.569 nan 8.250 nan 0.000 0.446 725 G N 0.855 109.617 108.800 -0.063 0.000 2.450 725 G HA2 -0.242 3.723 3.960 0.007 0.000 0.220 725 G HA3 -0.242 3.723 3.960 0.007 0.000 0.220 725 G C 1.290 176.299 174.900 0.181 0.000 1.130 725 G CA 1.019 46.140 45.100 0.036 0.000 0.760 725 G HN 0.564 nan 8.290 nan 0.000 0.557 726 I N 0.519 121.166 120.570 0.128 0.000 2.163 726 I HA -0.209 3.966 4.170 0.007 0.000 0.243 726 I C 2.524 178.685 176.117 0.073 0.000 1.085 726 I CA 1.832 63.195 61.300 0.104 0.000 1.347 726 I CB -0.492 37.528 38.000 0.032 0.000 1.044 726 I HN 0.400 nan 8.210 nan 0.000 0.408 727 H N -1.260 117.871 119.070 0.102 0.000 2.421 727 H HA -0.105 4.456 4.556 0.007 0.000 0.298 727 H C 2.143 177.575 175.328 0.175 0.000 1.087 727 H CA 1.292 57.428 56.048 0.146 0.000 1.330 727 H CB -0.063 29.810 29.762 0.185 0.000 1.388 727 H HN 0.290 nan 8.280 nan 0.000 0.526 728 V N 0.456 120.456 119.914 0.144 0.000 2.446 728 V HA -0.098 4.026 4.120 0.007 0.000 0.244 728 V C 2.562 178.776 176.094 0.202 0.000 1.039 728 V CA 1.304 63.634 62.300 0.050 0.000 1.045 728 V CB -0.564 31.152 31.823 -0.178 0.000 0.681 728 V HN 0.508 nan 8.190 nan 0.000 0.459 729 A N -0.013 122.877 122.820 0.116 0.000 1.930 729 A HA -0.170 4.154 4.320 0.007 0.000 0.217 729 A C 2.369 179.935 177.584 -0.030 0.000 1.175 729 A CA 2.280 54.332 52.037 0.024 0.000 0.627 729 A CB -0.873 18.086 19.000 -0.069 0.000 0.815 729 A HN 0.480 nan 8.150 nan 0.000 0.443 730 T N -0.166 114.397 114.554 0.016 0.000 2.622 730 T HA -0.189 4.165 4.350 0.007 0.000 0.266 730 T C 1.626 176.390 174.700 0.107 0.000 1.047 730 T CA 1.793 63.918 62.100 0.042 0.000 1.159 730 T CB -0.529 68.401 68.868 0.104 0.000 0.863 730 T HN 0.597 nan 8.240 nan 0.000 0.422 731 F N 2.000 122.020 119.950 0.116 0.000 2.087 731 F HA -0.138 4.394 4.527 0.008 0.000 0.299 731 F C 1.929 177.792 175.800 0.106 0.000 1.100 731 F CA 1.176 59.264 58.000 0.147 0.000 1.226 731 F CB -0.851 38.332 39.000 0.305 0.000 0.983 731 F HN 0.082 nan 8.300 nan 0.000 0.479 732 L N 0.244 121.193 121.223 -0.457 0.000 1.989 732 L HA -0.224 4.120 4.340 0.007 0.000 0.211 732 L C 2.743 179.402 176.870 -0.352 0.000 1.071 732 L CA 1.891 56.382 54.840 -0.582 0.000 0.749 732 L CB -0.948 40.979 42.059 -0.220 0.000 0.890 732 L HN 0.362 nan 8.230 nan 0.000 0.431 733 V N -3.148 116.654 119.914 -0.187 0.000 2.488 733 V HA -0.181 3.944 4.120 0.007 0.000 0.246 733 V C 2.363 178.397 176.094 -0.100 0.000 1.046 733 V CA 1.260 63.488 62.300 -0.121 0.000 1.053 733 V CB -0.581 31.188 31.823 -0.089 0.000 0.679 733 V HN 0.337 nan 8.190 nan 0.000 0.458 734 K N 0.749 121.102 120.400 -0.079 0.000 2.002 734 K HA -0.206 4.118 4.320 0.007 0.000 0.209 734 K C 2.321 178.895 176.600 -0.043 0.000 1.048 734 K CA 2.184 58.452 56.287 -0.032 0.000 0.930 734 K CB -0.262 32.256 32.500 0.030 0.000 0.714 734 K HN 0.488 nan 8.250 nan 0.000 0.438 735 K N 1.388 121.727 120.400 -0.101 0.000 2.097 735 K HA -0.105 4.220 4.320 0.007 0.000 0.205 735 K C 1.920 178.467 176.600 -0.089 0.000 1.050 735 K CA 1.243 57.483 56.287 -0.078 0.000 0.938 735 K CB -0.095 32.324 32.500 -0.136 0.000 0.718 735 K HN -0.068 nan 8.250 nan 0.000 0.442 736 R N 0.347 120.764 120.500 -0.138 0.000 2.193 736 R HA -0.081 4.263 4.340 0.007 0.000 0.229 736 R C 1.774 178.045 176.300 -0.049 0.000 1.110 736 R CA 1.237 57.284 56.100 -0.088 0.000 0.988 736 R CB 0.002 30.243 30.300 -0.098 0.000 0.871 736 R HN 0.199 nan 8.270 nan 0.000 0.458 737 R N 0.637 121.112 120.500 -0.043 0.000 2.052 737 R HA -0.057 4.287 4.340 0.007 0.000 0.224 737 R C 0.841 177.134 176.300 -0.012 0.000 1.149 737 R CA 1.189 57.275 56.100 -0.024 0.000 0.962 737 R CB -0.172 30.116 30.300 -0.021 0.000 0.856 737 R HN 0.349 nan 8.270 nan 0.000 0.433 738 E N 1.581 121.777 120.200 -0.006 0.000 2.443 738 E HA -0.086 4.268 4.350 0.007 0.000 0.310 738 E C 0.620 177.224 176.600 0.007 0.000 1.202 738 E CA 0.428 56.830 56.400 0.004 0.000 1.301 738 E CB 0.210 29.918 29.700 0.013 0.000 1.104 738 E HN 0.324 nan 8.360 nan 0.000 0.487 739 M N -0.333 119.269 119.600 0.003 0.000 1.513 739 M HA -0.013 4.471 4.480 0.007 0.000 0.292 739 M C 0.746 177.047 176.300 0.002 0.000 0.839 739 M CA 0.467 55.770 55.300 0.005 0.000 1.042 739 M CB 0.264 32.865 32.600 0.002 0.000 2.101 739 M HN 0.323 nan 8.290 nan 0.000 0.830 740 R N 0.000 120.498 120.500 -0.003 0.000 2.786 740 R HA 0.000 4.344 4.340 0.007 0.000 0.208 740 R CA 0.000 56.099 56.100 -0.002 0.000 0.921 740 R CB 0.000 30.297 30.300 -0.005 0.000 0.687 740 R HN 0.000 nan 8.270 nan 0.000 0.535