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 3n2o_1_D DATA FIRST_RESID 11 DATA SEQUENCE LDRVRADYNV HYWSQGFYGI DDQGEMYVSP RSDNAHQIQL SKIVKQLEER DATA SEQUENCE QLNVPVLVRF PQILHQRVHS ICDAFNQAIE EYQYPNKYLL VYPIKVNQQR DATA SEQUENCE EVVDEILASQ AQLETKQLGL EAGSKPELLA VLAMAQHASS VIVCNGYKDR DATA SEQUENCE EYIRLALIGE KLGHKVFIVL EKMSELDLVL REAKSLGVTP RLGIRIRLAS DATA SEQUENCE QGAGKWQASG GEKSKFGLSA SQVLNVISRL KKENQLDTLQ LVHFHLGSQM DATA SEQUENCE ANIRDVRNGV NESARFYCEL RTLGANITYF DVGGGLAIDY DGTRSQSSNS DATA SEQUENCE MNYGLVEYAR NIVNTVGDVC KDYKQPMPVI ISESGRSLTA HHAVLISNVI DATA SEQUENCE GTETYKPETV TEPEEDFPLL LNNMWRSWLN LHNGTDARAL IEIYNDTQSD DATA SEQUENCE LAEVHSQFAT GVLTLEHRAW AEQTSLRIYY ELNRLMSTKN RFHRPILDEL DATA SEQUENCE SERLADKFFV NFSLFQSLPD SWGIDQVFPV LPLSGLQNAA DRRAVMLDIT DATA SEQUENCE CDSDGAIDAY VDGQGIESTL PVPAWNEDEP YLMGFFLVGA YQEILGDMHN DATA SEQUENCE LFGDTHSVVV NVGDQGEINI DFINEGDTVE DMMRYVHIDV DQIRKNYHSL DATA SEQUENCE VSQRVDQEEQ QQILAELEQG LSGYTYLED 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.881 176.870 0.018 0.000 1.165 11 L CA 0.000 54.852 54.840 0.020 0.000 0.813 11 L CB 0.000 42.068 42.059 0.014 0.000 0.961 12 D N -0.212 120.192 120.400 0.006 0.000 2.117 12 D HA -0.055 4.584 4.640 -0.002 0.000 0.198 12 D C 1.693 177.991 176.300 -0.003 0.000 0.982 12 D CA 1.307 55.307 54.000 -0.000 0.000 0.828 12 D CB 0.208 41.004 40.800 -0.007 0.000 0.967 12 D HN 0.323 nan 8.370 nan 0.000 0.464 13 R N 0.102 120.598 120.500 -0.007 0.000 2.120 13 R HA -0.066 4.273 4.340 -0.002 0.000 0.234 13 R C 2.290 178.568 176.300 -0.038 0.000 1.123 13 R CA 0.461 56.549 56.100 -0.020 0.000 0.975 13 R CB -0.058 30.230 30.300 -0.019 0.000 0.866 13 R HN 0.047 nan 8.270 nan 0.000 0.446 14 V N -0.004 119.897 119.914 -0.022 0.000 2.346 14 V HA -0.169 3.950 4.120 -0.002 0.000 0.244 14 V C 2.245 178.336 176.094 -0.005 0.000 1.037 14 V CA 1.487 63.764 62.300 -0.038 0.000 1.029 14 V CB -0.391 31.452 31.823 0.034 0.000 0.663 14 V HN 0.256 nan 8.190 nan 0.000 0.454 15 R N -0.147 120.383 120.500 0.049 0.000 2.127 15 R HA -0.165 4.174 4.340 -0.002 0.000 0.238 15 R C 2.180 178.500 176.300 0.033 0.000 1.134 15 R CA 1.568 57.712 56.100 0.073 0.000 0.975 15 R CB -0.304 30.021 30.300 0.042 0.000 0.865 15 R HN 0.546 nan 8.270 nan 0.000 0.447 16 A N 0.410 123.226 122.820 -0.006 0.000 1.975 16 A HA -0.076 4.242 4.320 -0.002 0.000 0.215 16 A C 1.398 178.957 177.584 -0.041 0.000 1.170 16 A CA 1.152 53.178 52.037 -0.019 0.000 0.656 16 A CB -0.068 18.926 19.000 -0.009 0.000 0.821 16 A HN 0.221 nan 8.150 nan 0.000 0.449 17 D N -1.049 119.294 120.400 -0.096 0.000 2.178 17 D HA -0.142 4.497 4.640 -0.002 0.000 0.201 17 D C 1.305 177.494 176.300 -0.185 0.000 0.980 17 D CA 1.378 55.269 54.000 -0.182 0.000 0.842 17 D CB -0.238 40.378 40.800 -0.307 0.000 0.948 17 D HN 0.586 nan 8.370 nan 0.000 0.472 18 Y N 0.259 120.557 120.300 -0.003 0.000 2.436 18 Y HA 0.104 4.653 4.550 -0.002 0.000 0.288 18 Y C 0.538 176.425 175.900 -0.021 0.000 1.112 18 Y CA -0.133 57.975 58.100 0.014 0.000 1.220 18 Y CB -0.658 37.810 38.460 0.012 0.000 1.073 18 Y HN -0.107 nan 8.280 nan 0.000 0.552 19 N N -0.245 118.455 118.700 -0.001 0.000 2.702 19 N HA -0.220 4.519 4.740 -0.002 0.000 0.261 19 N C 0.826 176.022 175.510 -0.522 0.000 0.965 19 N CA 0.185 53.001 53.050 -0.390 0.000 0.795 19 N CB -0.813 37.269 38.487 -0.676 0.000 0.909 19 N HN 0.041 nan 8.380 nan 0.000 0.546 20 V N 0.520 120.224 119.914 -0.351 0.000 2.277 20 V HA -0.368 3.751 4.120 -0.002 0.000 0.253 20 V C 2.478 177.951 176.094 -1.035 0.000 1.067 20 V CA 2.394 64.267 62.300 -0.712 0.000 1.047 20 V CB -0.633 30.871 31.823 -0.533 0.000 0.649 20 V HN 0.789 nan 8.190 nan 0.000 0.447 21 H N -1.822 116.876 119.070 -0.620 0.000 2.518 21 H HA -0.200 4.355 4.556 -0.002 0.000 0.292 21 H C 2.075 177.240 175.328 -0.272 0.000 1.068 21 H CA 1.707 57.477 56.048 -0.465 0.000 1.275 21 H CB -0.677 28.888 29.762 -0.329 0.000 1.375 21 H HN 0.475 nan 8.280 nan 0.000 0.563 22 Y N 0.896 120.795 120.300 -0.668 0.000 2.352 22 Y HA -0.156 4.393 4.550 -0.002 0.000 0.292 22 Y C 2.408 178.254 175.900 -0.089 0.000 1.136 22 Y CA 0.707 58.620 58.100 -0.311 0.000 1.227 22 Y CB -0.483 37.846 38.460 -0.219 0.000 0.991 22 Y HN 0.586 nan 8.280 nan 0.000 0.545 23 W N -1.728 119.625 121.300 0.088 0.000 2.865 23 W HA 0.241 4.900 4.660 -0.002 0.000 0.300 23 W C 1.554 178.195 176.519 0.203 0.000 1.096 23 W CA 0.787 58.193 57.345 0.102 0.000 1.524 23 W CB -0.916 28.576 29.460 0.052 0.000 0.991 23 W HN 0.086 nan 8.180 nan 0.000 0.571 24 S N 0.937 116.380 115.700 -0.430 0.000 2.489 24 S HA -0.140 4.329 4.470 -0.002 0.000 0.228 24 S C 1.081 175.697 174.600 0.027 0.000 0.995 24 S CA 0.719 58.800 58.200 -0.198 0.000 0.934 24 S CB -0.561 62.274 63.200 -0.608 0.000 0.771 24 S HN 0.246 nan 8.310 nan 0.000 0.522 25 Q N 0.007 119.727 119.800 -0.135 0.000 2.475 25 Q HA -0.198 4.141 4.340 -0.002 0.000 0.280 25 Q C 0.987 176.564 176.000 -0.705 0.000 1.234 25 Q CA 0.893 56.470 55.803 -0.377 0.000 0.873 25 Q CB -2.470 25.948 28.738 -0.533 0.000 1.256 25 Q HN 1.314 nan 8.270 nan 0.000 0.475 26 G N -1.332 107.198 108.800 -0.449 0.000 2.175 26 G HA2 -0.356 3.603 3.960 -0.002 0.000 0.265 26 G HA3 -0.356 3.603 3.960 -0.002 0.000 0.265 26 G C 0.345 174.988 174.900 -0.428 0.000 0.979 26 G CA 0.633 45.481 45.100 -0.420 0.000 0.663 26 G HN 0.399 nan 8.290 nan 0.000 0.533 27 F N -0.780 119.032 119.950 -0.230 0.000 2.664 27 F HA 0.428 4.954 4.527 -0.002 0.000 0.296 27 F C 1.048 176.347 175.800 -0.835 0.000 1.125 27 F CA -0.167 57.545 58.000 -0.480 0.000 1.444 27 F CB -0.006 38.684 39.000 -0.518 0.000 1.114 27 F HN 0.249 nan 8.300 nan 0.000 0.576 28 Y N -1.141 119.103 120.300 -0.092 0.000 2.588 28 Y HA 0.708 5.257 4.550 -0.002 0.000 0.343 28 Y C 0.405 175.917 175.900 -0.647 0.000 1.065 28 Y CA -1.557 56.335 58.100 -0.345 0.000 1.038 28 Y CB 1.728 40.032 38.460 -0.260 0.000 1.297 28 Y HN -0.150 nan 8.280 nan 0.000 0.467 29 G N 0.343 108.587 108.800 -0.926 0.000 2.488 29 G HA2 0.589 4.548 3.960 -0.002 0.000 0.301 29 G HA3 0.589 4.548 3.960 -0.002 0.000 0.301 29 G C -2.267 172.165 174.900 -0.780 0.000 1.339 29 G CA -0.912 43.685 45.100 -0.839 0.000 0.803 29 G HN 0.484 nan 8.290 nan 0.000 0.482 30 I N 1.852 122.285 120.570 -0.229 0.000 2.355 30 I HA 0.289 4.457 4.170 -0.002 0.000 0.288 30 I C -0.442 175.829 176.117 0.256 0.000 0.999 30 I CA -0.752 60.554 61.300 0.010 0.000 1.163 30 I CB 1.768 39.774 38.000 0.009 0.000 1.316 30 I HN 0.663 nan 8.210 nan 0.000 0.454 31 D N 3.872 124.487 120.400 0.359 0.000 2.411 31 D HA 0.053 4.691 4.640 -0.002 0.000 0.251 31 D C 0.355 176.718 176.300 0.105 0.000 1.201 31 D CA -0.356 53.772 54.000 0.213 0.000 0.996 31 D CB 0.826 41.696 40.800 0.117 0.000 1.101 31 D HN 0.338 nan 8.370 nan 0.000 0.504 32 D N -0.814 119.617 120.400 0.052 0.000 2.363 32 D HA -0.077 4.562 4.640 -0.002 0.000 0.226 32 D C 0.970 177.290 176.300 0.034 0.000 1.020 32 D CA 0.579 54.600 54.000 0.035 0.000 0.892 32 D CB 0.050 40.857 40.800 0.012 0.000 0.900 32 D HN 0.497 nan 8.370 nan 0.000 0.531 33 Q N -0.521 119.303 119.800 0.040 0.000 2.365 33 Q HA 0.217 4.555 4.340 -0.002 0.000 0.203 33 Q C 0.956 176.984 176.000 0.046 0.000 0.929 33 Q CA 0.190 56.015 55.803 0.036 0.000 0.948 33 Q CB 0.630 29.387 28.738 0.031 0.000 1.043 33 Q HN 0.210 nan 8.270 nan 0.000 0.505 34 G N 1.261 110.096 108.800 0.059 0.000 2.147 34 G HA2 -0.217 3.741 3.960 -0.002 0.000 0.244 34 G HA3 -0.217 3.741 3.960 -0.002 0.000 0.244 34 G C -0.327 174.607 174.900 0.057 0.000 1.005 34 G CA -0.018 45.118 45.100 0.061 0.000 0.713 34 G HN 0.244 nan 8.290 nan 0.000 0.515 35 E N -0.101 120.146 120.200 0.078 0.000 2.212 35 E HA 0.481 4.830 4.350 -0.002 0.000 0.268 35 E C 0.599 177.268 176.600 0.115 0.000 0.902 35 E CA -0.915 55.535 56.400 0.084 0.000 0.779 35 E CB 1.100 30.858 29.700 0.095 0.000 1.172 35 E HN 0.233 nan 8.360 nan 0.000 0.409 36 M N 2.578 122.226 119.600 0.080 0.000 2.200 36 M HA 0.173 4.652 4.480 -0.002 0.000 0.355 36 M C -0.448 175.937 176.300 0.141 0.000 1.283 36 M CA -0.103 55.223 55.300 0.045 0.000 1.124 36 M CB -0.261 32.389 32.600 0.082 0.000 1.625 36 M HN 0.457 nan 8.290 nan 0.000 0.463 37 Y N 1.057 121.429 120.300 0.121 0.000 2.598 37 Y HA 0.813 5.362 4.550 -0.002 0.000 0.340 37 Y C -0.995 174.997 175.900 0.154 0.000 1.038 37 Y CA -1.545 56.623 58.100 0.114 0.000 1.100 37 Y CB 0.924 39.412 38.460 0.047 0.000 1.281 37 Y HN 0.396 nan 8.280 nan 0.000 0.488 38 V N 1.325 121.389 119.914 0.249 0.000 2.581 38 V HA 0.661 4.780 4.120 -0.002 0.000 0.303 38 V C -0.899 175.198 176.094 0.007 0.000 1.041 38 V CA -0.353 61.917 62.300 -0.051 0.000 0.907 38 V CB 1.762 33.368 31.823 -0.361 0.000 0.994 38 V HN 0.928 nan 8.190 nan 0.000 0.442 39 S N 6.964 122.604 115.700 -0.098 0.000 2.252 39 S HA 0.579 5.048 4.470 -0.002 0.000 0.187 39 S C -1.999 172.577 174.600 -0.040 0.000 1.587 39 S CA -1.036 57.166 58.200 0.003 0.000 1.215 39 S CB 1.299 64.558 63.200 0.098 0.000 1.085 39 S HN 0.838 nan 8.310 nan 0.000 0.466 40 P HA 0.149 nan 4.420 nan 0.000 0.245 40 P C 0.036 177.374 177.300 0.062 0.000 1.203 40 P CA -0.034 63.017 63.100 -0.081 0.000 0.792 40 P CB 0.242 31.852 31.700 -0.152 0.000 0.997 41 R N 0.486 121.033 120.500 0.079 0.000 2.490 41 R HA 0.201 4.540 4.340 -0.002 0.000 0.278 41 R C 1.728 178.089 176.300 0.102 0.000 1.069 41 R CA 0.218 56.379 56.100 0.102 0.000 1.080 41 R CB 0.419 30.777 30.300 0.097 0.000 1.030 41 R HN 0.055 nan 8.270 nan 0.000 0.491 42 S N 0.613 116.378 115.700 0.109 0.000 2.419 42 S HA -0.172 4.297 4.470 -0.002 0.000 0.233 42 S C 1.123 175.745 174.600 0.037 0.000 1.016 42 S CA 1.484 59.736 58.200 0.086 0.000 0.974 42 S CB -0.221 63.028 63.200 0.082 0.000 0.786 42 S HN 0.792 nan 8.310 nan 0.000 0.492 43 D N 0.878 121.293 120.400 0.026 0.000 2.349 43 D HA 0.024 4.663 4.640 -0.002 0.000 0.224 43 D C 0.234 176.514 176.300 -0.033 0.000 1.029 43 D CA 0.166 54.161 54.000 -0.008 0.000 0.879 43 D CB -1.535 39.259 40.800 -0.010 0.000 0.906 43 D HN 0.536 nan 8.370 nan 0.000 0.528 44 N N -0.777 117.911 118.700 -0.020 0.000 2.678 44 N HA -0.301 4.438 4.740 -0.002 0.000 0.249 44 N C 1.040 176.489 175.510 -0.102 0.000 1.119 44 N CA 0.424 53.447 53.050 -0.045 0.000 0.718 44 N CB -0.822 37.629 38.487 -0.059 0.000 1.060 44 N HN 0.417 nan 8.380 nan 0.000 0.552 45 A N 0.059 122.806 122.820 -0.122 0.000 1.851 45 A HA -0.141 4.178 4.320 -0.002 0.000 0.216 45 A C 0.714 178.014 177.584 -0.473 0.000 1.195 45 A CA 1.308 53.143 52.037 -0.336 0.000 0.622 45 A CB -0.100 18.702 19.000 -0.330 0.000 0.831 45 A HN 0.543 nan 8.150 nan 0.000 0.444 46 H N -1.079 117.975 119.070 -0.027 0.000 2.637 46 H HA 0.481 5.035 4.556 -0.002 0.000 0.363 46 H C -1.093 174.207 175.328 -0.046 0.000 1.131 46 H CA -0.599 55.426 56.048 -0.038 0.000 1.183 46 H CB 1.154 30.907 29.762 -0.014 0.000 1.637 46 H HN 0.455 nan 8.280 nan 0.000 0.531 47 Q N 2.240 122.056 119.800 0.027 0.000 2.316 47 Q HA 0.439 4.778 4.340 -0.002 0.000 0.264 47 Q C -0.385 175.639 176.000 0.040 0.000 0.987 47 Q CA -0.768 55.017 55.803 -0.030 0.000 0.852 47 Q CB 2.425 30.957 28.738 -0.342 0.000 1.287 47 Q HN 0.387 nan 8.270 nan 0.000 0.448 48 I N 2.814 123.448 120.570 0.106 0.000 2.362 48 I HA 0.182 4.351 4.170 -0.002 0.000 0.289 48 I C 0.106 176.336 176.117 0.189 0.000 0.994 48 I CA -0.612 60.763 61.300 0.125 0.000 1.158 48 I CB 1.556 39.632 38.000 0.128 0.000 1.315 48 I HN 0.590 nan 8.210 nan 0.000 0.451 49 Q N 4.744 124.645 119.800 0.168 0.000 2.300 49 Q HA 0.097 4.436 4.340 -0.002 0.000 0.280 49 Q C 1.019 177.126 176.000 0.178 0.000 1.033 49 Q CA 0.031 55.945 55.803 0.186 0.000 0.903 49 Q CB 1.280 30.098 28.738 0.133 0.000 1.195 49 Q HN 0.555 nan 8.270 nan 0.000 0.386 50 L N 1.511 122.852 121.223 0.197 0.000 2.093 50 L HA -0.201 4.138 4.340 -0.002 0.000 0.208 50 L C 2.373 179.329 176.870 0.144 0.000 1.085 50 L CA 1.324 56.287 54.840 0.205 0.000 0.755 50 L CB -0.437 41.759 42.059 0.229 0.000 0.904 50 L HN 0.746 nan 8.230 nan 0.000 0.435 51 S N -0.410 115.355 115.700 0.109 0.000 2.419 51 S HA -0.200 4.269 4.470 -0.002 0.000 0.235 51 S C 1.885 176.529 174.600 0.073 0.000 1.019 51 S CA 0.919 59.165 58.200 0.076 0.000 0.982 51 S CB -0.325 62.906 63.200 0.052 0.000 0.789 51 S HN 0.396 nan 8.310 nan 0.000 0.490 52 K N 0.827 121.277 120.400 0.083 0.000 2.155 52 K HA 0.170 4.489 4.320 -0.002 0.000 0.203 52 K C 2.001 178.648 176.600 0.079 0.000 1.052 52 K CA 1.091 57.422 56.287 0.072 0.000 0.948 52 K CB -0.334 32.208 32.500 0.070 0.000 0.728 52 K HN 0.462 nan 8.250 nan 0.000 0.448 53 I N 0.721 121.356 120.570 0.109 0.000 2.315 53 I HA -0.238 3.931 4.170 -0.002 0.000 0.248 53 I C 2.177 178.338 176.117 0.073 0.000 1.117 53 I CA 0.954 62.319 61.300 0.108 0.000 1.404 53 I CB -0.234 37.864 38.000 0.163 0.000 1.071 53 I HN -0.103 nan 8.210 nan 0.000 0.419 54 V N 1.159 121.117 119.914 0.073 0.000 2.427 54 V HA -0.272 3.847 4.120 -0.002 0.000 0.248 54 V C 2.518 178.639 176.094 0.044 0.000 1.051 54 V CA 1.864 64.198 62.300 0.057 0.000 1.048 54 V CB -0.641 31.218 31.823 0.060 0.000 0.666 54 V HN 0.427 nan 8.190 nan 0.000 0.456 55 K N -0.001 120.425 120.400 0.043 0.000 2.097 55 K HA -0.237 4.082 4.320 -0.002 0.000 0.205 55 K C 2.242 178.857 176.600 0.024 0.000 1.050 55 K CA 1.697 58.004 56.287 0.033 0.000 0.938 55 K CB -0.107 32.411 32.500 0.031 0.000 0.718 55 K HN 0.499 nan 8.250 nan 0.000 0.442 56 Q N 0.510 120.325 119.800 0.026 0.000 2.119 56 Q HA -0.111 4.228 4.340 -0.002 0.000 0.201 56 Q C 2.043 178.045 176.000 0.004 0.000 0.972 56 Q CA 1.256 57.068 55.803 0.016 0.000 0.847 56 Q CB -0.003 28.747 28.738 0.021 0.000 0.903 56 Q HN 0.366 nan 8.270 nan 0.000 0.433 57 L N 0.436 121.662 121.223 0.006 0.000 2.083 57 L HA -0.195 4.143 4.340 -0.002 0.000 0.209 57 L C 2.439 179.300 176.870 -0.016 0.000 1.083 57 L CA 1.546 56.378 54.840 -0.012 0.000 0.752 57 L CB -0.404 41.653 42.059 -0.004 0.000 0.899 57 L HN 0.356 nan 8.230 nan 0.000 0.433 58 E N 0.497 120.700 120.200 0.005 0.000 2.118 58 E HA -0.262 4.087 4.350 -0.002 0.000 0.195 58 E C 1.985 178.583 176.600 -0.003 0.000 0.992 58 E CA 1.389 57.793 56.400 0.008 0.000 0.804 58 E CB 0.071 29.785 29.700 0.022 0.000 0.741 58 E HN 0.476 nan 8.360 nan 0.000 0.458 59 E N -0.177 120.021 120.200 -0.005 0.000 2.077 59 E HA -0.146 4.203 4.350 -0.002 0.000 0.193 59 E C 1.947 178.535 176.600 -0.020 0.000 0.989 59 E CA 0.666 57.060 56.400 -0.009 0.000 0.800 59 E CB 0.048 29.744 29.700 -0.006 0.000 0.746 59 E HN 0.151 nan 8.360 nan 0.000 0.452 60 R N 0.579 121.060 120.500 -0.031 0.000 2.357 60 R HA -0.032 4.307 4.340 -0.002 0.000 0.202 60 R C 0.261 176.524 176.300 -0.063 0.000 1.047 60 R CA 0.399 56.470 56.100 -0.048 0.000 1.034 60 R CB -0.264 29.999 30.300 -0.062 0.000 0.875 60 R HN 0.337 nan 8.270 nan 0.000 0.473 61 Q N -0.329 119.441 119.800 -0.050 0.000 2.493 61 Q HA -0.160 4.179 4.340 -0.002 0.000 0.278 61 Q C -0.978 174.968 176.000 -0.091 0.000 1.198 61 Q CA 0.566 56.339 55.803 -0.049 0.000 0.880 61 Q CB -2.030 26.683 28.738 -0.042 0.000 1.260 61 Q HN 0.283 nan 8.270 nan 0.000 0.470 62 L N 1.333 122.490 121.223 -0.110 0.000 2.305 62 L HA 0.437 4.775 4.340 -0.002 0.000 0.284 62 L C 0.442 177.306 176.870 -0.009 0.000 1.013 62 L CA -0.727 54.002 54.840 -0.184 0.000 0.819 62 L CB 1.090 42.959 42.059 -0.317 0.000 1.227 62 L HN 0.022 nan 8.230 nan 0.000 0.417 63 N N 1.292 120.050 118.700 0.096 0.000 2.434 63 N HA 0.424 5.163 4.740 -0.002 0.000 0.266 63 N C -0.285 175.394 175.510 0.281 0.000 1.223 63 N CA -0.557 52.603 53.050 0.184 0.000 0.972 63 N CB 1.673 40.291 38.487 0.218 0.000 1.207 63 N HN 0.303 nan 8.380 nan 0.000 0.525 64 V N -1.374 118.673 119.914 0.223 0.000 2.953 64 V HA 0.450 4.569 4.120 -0.002 0.000 0.304 64 V C -2.108 174.106 176.094 0.201 0.000 1.073 64 V CA -1.532 60.876 62.300 0.179 0.000 1.064 64 V CB 0.481 32.365 31.823 0.101 0.000 1.047 64 V HN 0.568 nan 8.190 nan 0.000 0.478 65 P HA 0.405 nan 4.420 nan 0.000 0.274 65 P C -0.842 176.462 177.300 0.005 0.000 1.231 65 P CA -0.099 62.935 63.100 -0.110 0.000 0.790 65 P CB 1.752 33.200 31.700 -0.420 0.000 0.951 66 V N 3.338 123.244 119.914 -0.014 0.000 2.891 66 V HA 0.345 4.464 4.120 -0.002 0.000 0.304 66 V C -1.316 174.755 176.094 -0.039 0.000 1.171 66 V CA -1.025 61.295 62.300 0.034 0.000 0.943 66 V CB 2.229 34.105 31.823 0.088 0.000 1.037 66 V HN 0.391 nan 8.190 nan 0.000 0.427 67 L N 7.130 128.329 121.223 -0.039 0.000 2.257 67 L HA 0.697 5.035 4.340 -0.002 0.000 0.290 67 L C -0.711 176.095 176.870 -0.107 0.000 1.044 67 L CA 0.210 54.997 54.840 -0.089 0.000 0.810 67 L CB 1.457 43.471 42.059 -0.075 0.000 1.193 67 L HN 0.517 nan 8.230 nan 0.000 0.425 68 V N 6.069 125.886 119.914 -0.163 0.000 2.370 68 V HA 0.535 4.654 4.120 -0.002 0.000 0.283 68 V C -0.017 175.813 176.094 -0.440 0.000 1.023 68 V CA -0.641 61.490 62.300 -0.281 0.000 0.857 68 V CB 1.266 32.934 31.823 -0.259 0.000 0.985 68 V HN 0.751 nan 8.190 nan 0.000 0.443 69 R N 4.179 124.420 120.500 -0.433 0.000 2.474 69 R HA 0.686 5.025 4.340 -0.002 0.000 0.295 69 R C -1.594 174.419 176.300 -0.478 0.000 0.980 69 R CA -0.543 55.370 56.100 -0.312 0.000 0.934 69 R CB 1.371 31.694 30.300 0.039 0.000 1.101 69 R HN 0.469 nan 8.270 nan 0.000 0.469 70 F N 1.999 122.055 119.950 0.176 0.000 2.434 70 F HA 0.345 4.870 4.527 -0.002 0.000 0.367 70 F C -1.708 174.103 175.800 0.019 0.000 1.093 70 F CA -2.586 55.470 58.000 0.094 0.000 1.085 70 F CB 1.851 40.886 39.000 0.059 0.000 1.322 70 F HN 0.351 nan 8.300 nan 0.000 0.452 71 P HA -0.179 nan 4.420 nan 0.000 0.218 71 P C 1.239 178.273 177.300 -0.443 0.000 1.148 71 P CA 1.506 64.484 63.100 -0.203 0.000 0.822 71 P CB 0.204 31.828 31.700 -0.126 0.000 0.784 72 Q N -1.080 118.646 119.800 -0.124 0.000 2.291 72 Q HA -0.101 4.237 4.340 -0.002 0.000 0.206 72 Q C 1.999 177.959 176.000 -0.067 0.000 0.976 72 Q CA 0.978 56.756 55.803 -0.043 0.000 0.875 72 Q CB -0.515 28.304 28.738 0.136 0.000 0.927 72 Q HN 0.327 nan 8.270 nan 0.000 0.450 73 I N -0.012 120.474 120.570 -0.140 0.000 2.333 73 I HA -0.239 3.929 4.170 -0.002 0.000 0.246 73 I C 1.940 177.921 176.117 -0.226 0.000 1.106 73 I CA 0.781 61.878 61.300 -0.340 0.000 1.411 73 I CB -0.146 37.542 38.000 -0.519 0.000 1.082 73 I HN 0.198 nan 8.210 nan 0.000 0.420 74 L N 0.083 121.173 121.223 -0.221 0.000 2.012 74 L HA -0.271 4.067 4.340 -0.002 0.000 0.210 74 L C 2.812 179.630 176.870 -0.086 0.000 1.073 74 L CA 1.349 56.056 54.840 -0.222 0.000 0.748 74 L CB -1.091 40.745 42.059 -0.371 0.000 0.891 74 L HN 0.337 nan 8.230 nan 0.000 0.431 75 H N 0.157 119.225 119.070 -0.004 0.000 2.289 75 H HA -0.217 4.338 4.556 -0.002 0.000 0.296 75 H C 2.318 177.735 175.328 0.149 0.000 1.091 75 H CA 1.616 57.706 56.048 0.070 0.000 1.274 75 H CB -0.594 29.247 29.762 0.132 0.000 1.364 75 H HN 0.478 nan 8.280 nan 0.000 0.490 76 Q N 0.184 120.145 119.800 0.269 0.000 2.084 76 Q HA -0.115 4.224 4.340 -0.002 0.000 0.202 76 Q C 2.472 178.619 176.000 0.244 0.000 0.978 76 Q CA 0.685 56.663 55.803 0.291 0.000 0.844 76 Q CB 0.075 29.013 28.738 0.334 0.000 0.898 76 Q HN 0.258 nan 8.270 nan 0.000 0.426 77 R N 0.288 120.889 120.500 0.167 0.000 2.083 77 R HA -0.098 4.241 4.340 -0.002 0.000 0.237 77 R C 2.303 178.667 176.300 0.106 0.000 1.137 77 R CA 0.896 57.084 56.100 0.147 0.000 0.951 77 R CB -1.194 29.164 30.300 0.098 0.000 0.851 77 R HN 0.166 nan 8.270 nan 0.000 0.434 78 V N 0.559 120.492 119.914 0.031 0.000 2.332 78 V HA -0.265 3.854 4.120 -0.002 0.000 0.248 78 V C 1.994 178.040 176.094 -0.080 0.000 1.055 78 V CA 2.035 64.304 62.300 -0.052 0.000 1.038 78 V CB -0.589 31.125 31.823 -0.182 0.000 0.651 78 V HN 0.388 nan 8.190 nan 0.000 0.450 79 H N -0.725 118.426 119.070 0.136 0.000 2.363 79 H HA -0.076 4.478 4.556 -0.002 0.000 0.301 79 H C 2.530 177.935 175.328 0.127 0.000 1.074 79 H CA 1.560 57.684 56.048 0.127 0.000 1.354 79 H CB -0.142 29.684 29.762 0.107 0.000 1.397 79 H HN 0.322 nan 8.280 nan 0.000 0.516 80 S N 0.154 115.984 115.700 0.216 0.000 2.368 80 S HA -0.132 4.336 4.470 -0.002 0.000 0.225 80 S C 2.159 176.847 174.600 0.147 0.000 1.030 80 S CA 1.182 59.477 58.200 0.159 0.000 0.999 80 S CB -0.166 63.118 63.200 0.139 0.000 0.844 80 S HN 0.285 nan 8.310 nan 0.000 0.459 81 I N 0.828 121.501 120.570 0.173 0.000 2.286 81 I HA -0.184 3.985 4.170 -0.002 0.000 0.245 81 I C 2.235 178.510 176.117 0.264 0.000 1.104 81 I CA 0.712 62.146 61.300 0.223 0.000 1.397 81 I CB -0.384 37.776 38.000 0.266 0.000 1.072 81 I HN 0.358 nan 8.210 nan 0.000 0.417 82 C N 0.543 119.999 119.300 0.261 0.000 2.446 82 C HA -0.144 4.315 4.460 -0.002 0.000 0.277 82 C C 2.398 177.509 174.990 0.201 0.000 1.275 82 C CA 0.510 59.700 59.018 0.286 0.000 1.727 82 C CB -1.026 26.892 27.740 0.296 0.000 2.010 82 C HN 0.509 nan 8.230 nan 0.000 0.486 83 D N 1.213 121.714 120.400 0.169 0.000 2.123 83 D HA -0.091 4.548 4.640 -0.002 0.000 0.196 83 D C 2.286 178.622 176.300 0.060 0.000 0.992 83 D CA 1.788 55.858 54.000 0.117 0.000 0.833 83 D CB -0.478 40.384 40.800 0.103 0.000 0.954 83 D HN 0.514 nan 8.370 nan 0.000 0.455 84 A N -0.221 122.615 122.820 0.027 0.000 1.898 84 A HA -0.103 4.216 4.320 -0.002 0.000 0.216 84 A C 2.082 179.553 177.584 -0.190 0.000 1.181 84 A CA 0.818 52.805 52.037 -0.084 0.000 0.620 84 A CB -0.876 18.051 19.000 -0.122 0.000 0.819 84 A HN 0.153 nan 8.150 nan 0.000 0.442 85 F N 0.688 120.513 119.950 -0.209 0.000 2.146 85 F HA -0.135 4.391 4.527 -0.002 0.000 0.298 85 F C 2.297 178.000 175.800 -0.162 0.000 1.096 85 F CA 1.420 59.214 58.000 -0.343 0.000 1.275 85 F CB -0.214 38.212 39.000 -0.956 0.000 1.008 85 F HN 0.195 nan 8.300 nan 0.000 0.480 86 N N 0.123 118.892 118.700 0.114 0.000 2.149 86 N HA -0.231 4.508 4.740 -0.002 0.000 0.188 86 N C 1.849 177.405 175.510 0.076 0.000 1.019 86 N CA 1.150 54.273 53.050 0.121 0.000 0.857 86 N CB -0.617 37.954 38.487 0.139 0.000 0.997 86 N HN 0.424 nan 8.380 nan 0.000 0.426 87 Q N 0.324 120.145 119.800 0.036 0.000 2.123 87 Q HA 0.020 4.359 4.340 -0.002 0.000 0.199 87 Q C 1.830 177.835 176.000 0.008 0.000 0.966 87 Q CA 1.247 57.062 55.803 0.020 0.000 0.845 87 Q CB -0.015 28.723 28.738 0.001 0.000 0.907 87 Q HN 0.336 nan 8.270 nan 0.000 0.439 88 A N 0.917 123.711 122.820 -0.043 0.000 1.902 88 A HA -0.149 4.170 4.320 -0.002 0.000 0.217 88 A C 1.987 179.584 177.584 0.022 0.000 1.181 88 A CA 1.100 53.105 52.037 -0.054 0.000 0.623 88 A CB -0.624 18.262 19.000 -0.189 0.000 0.818 88 A HN 0.468 nan 8.150 nan 0.000 0.443 89 I N -0.635 119.960 120.570 0.042 0.000 2.208 89 I HA -0.281 3.888 4.170 -0.002 0.000 0.245 89 I C 2.603 178.833 176.117 0.189 0.000 1.097 89 I CA 1.947 63.330 61.300 0.137 0.000 1.363 89 I CB -0.221 37.882 38.000 0.172 0.000 1.051 89 I HN 0.549 nan 8.210 nan 0.000 0.413 90 E N 0.918 121.195 120.200 0.128 0.000 2.107 90 E HA -0.218 4.131 4.350 -0.002 0.000 0.191 90 E C 1.976 178.634 176.600 0.096 0.000 0.982 90 E CA 0.961 57.425 56.400 0.107 0.000 0.809 90 E CB 0.098 29.844 29.700 0.077 0.000 0.756 90 E HN 0.478 nan 8.360 nan 0.000 0.459 91 E N -0.634 119.620 120.200 0.091 0.000 2.153 91 E HA -0.203 4.145 4.350 -0.002 0.000 0.194 91 E C 1.531 178.196 176.600 0.109 0.000 0.988 91 E CA 1.039 57.486 56.400 0.079 0.000 0.811 91 E CB -0.075 29.664 29.700 0.066 0.000 0.746 91 E HN 0.374 nan 8.360 nan 0.000 0.466 92 Y N 0.539 120.863 120.300 0.040 0.000 2.503 92 Y HA -0.020 4.529 4.550 -0.002 0.000 0.278 92 Y C 0.192 176.139 175.900 0.078 0.000 1.111 92 Y CA 0.366 58.501 58.100 0.058 0.000 1.270 92 Y CB 0.717 39.220 38.460 0.072 0.000 1.063 92 Y HN -0.153 nan 8.280 nan 0.000 0.548 93 Q N -0.253 119.671 119.800 0.207 0.000 2.463 93 Q HA -0.325 4.013 4.340 -0.002 0.000 0.299 93 Q C -0.951 175.209 176.000 0.267 0.000 1.353 93 Q CA 0.849 56.747 55.803 0.158 0.000 0.828 93 Q CB -2.617 26.143 28.738 0.036 0.000 1.157 93 Q HN 0.670 nan 8.270 nan 0.000 0.436 94 Y N 2.436 122.901 120.300 0.274 0.000 2.511 94 Y HA 0.143 4.691 4.550 -0.002 0.000 0.332 94 Y C -1.321 174.648 175.900 0.115 0.000 1.177 94 Y CA -1.074 57.162 58.100 0.227 0.000 1.422 94 Y CB 0.877 39.403 38.460 0.111 0.000 1.271 94 Y HN 0.018 nan 8.280 nan 0.000 0.550 95 P HA 0.167 nan 4.420 nan 0.000 0.248 95 P C -1.079 176.100 177.300 -0.203 0.000 1.708 95 P CA 0.277 63.264 63.100 -0.188 0.000 1.062 95 P CB 0.173 31.757 31.700 -0.195 0.000 1.562 96 N N -0.007 118.622 118.700 -0.118 0.000 3.179 96 N HA 0.247 4.986 4.740 -0.002 0.000 0.250 96 N C -0.929 174.704 175.510 0.205 0.000 1.507 96 N CA -0.466 52.587 53.050 0.006 0.000 0.883 96 N CB 1.724 40.164 38.487 -0.078 0.000 1.435 96 N HN -0.222 nan 8.380 nan 0.000 0.532 97 K N 0.081 120.572 120.400 0.152 0.000 2.109 97 K HA 0.322 4.641 4.320 -0.002 0.000 0.243 97 K C -0.969 175.755 176.600 0.207 0.000 1.006 97 K CA -0.510 55.878 56.287 0.168 0.000 0.917 97 K CB 1.107 33.665 32.500 0.097 0.000 1.081 97 K HN 0.442 nan 8.250 nan 0.000 0.468 98 Y N 0.995 121.329 120.300 0.057 0.000 2.409 98 Y HA 0.520 5.069 4.550 -0.002 0.000 0.339 98 Y C -1.500 174.381 175.900 -0.031 0.000 1.033 98 Y CA -1.268 56.814 58.100 -0.029 0.000 1.094 98 Y CB 1.149 39.578 38.460 -0.051 0.000 1.210 98 Y HN 0.377 nan 8.280 nan 0.000 0.456 99 L N 7.200 127.777 121.223 -1.077 0.000 2.438 99 L HA 0.512 4.851 4.340 -0.002 0.000 0.270 99 L C -2.244 173.987 176.870 -1.064 0.000 0.972 99 L CA -0.845 53.546 54.840 -0.748 0.000 0.831 99 L CB 1.617 43.506 42.059 -0.283 0.000 1.273 99 L HN 0.704 nan 8.230 nan 0.000 0.405 100 L N 6.246 127.082 121.223 -0.646 0.000 2.276 100 L HA 0.681 5.020 4.340 -0.002 0.000 0.286 100 L C -1.070 175.715 176.870 -0.142 0.000 1.061 100 L CA 0.010 54.665 54.840 -0.309 0.000 0.807 100 L CB 1.429 43.489 42.059 0.001 0.000 1.177 100 L HN 0.439 nan 8.230 nan 0.000 0.429 101 V N 6.109 125.966 119.914 -0.095 0.000 2.444 101 V HA 0.230 4.349 4.120 -0.002 0.000 0.294 101 V C -0.940 175.179 176.094 0.041 0.000 1.022 101 V CA -0.686 61.588 62.300 -0.043 0.000 0.850 101 V CB 1.155 32.919 31.823 -0.098 0.000 0.992 101 V HN 0.634 nan 8.190 nan 0.000 0.426 102 Y N 9.020 129.287 120.300 -0.054 0.000 2.436 102 Y HA 0.449 4.998 4.550 -0.002 0.000 0.343 102 Y C -2.176 173.694 175.900 -0.049 0.000 1.008 102 Y CA -2.874 55.200 58.100 -0.043 0.000 1.241 102 Y CB 1.304 39.739 38.460 -0.042 0.000 1.153 102 Y HN 0.431 nan 8.280 nan 0.000 0.521 103 P HA 0.103 nan 4.420 nan 0.000 0.280 103 P C 0.731 177.528 177.300 -0.839 0.000 1.300 103 P CA 0.041 62.842 63.100 -0.499 0.000 0.785 103 P CB 0.586 32.109 31.700 -0.293 0.000 0.874 104 I N 2.505 122.717 120.570 -0.596 0.000 3.001 104 I HA -0.154 4.015 4.170 -0.002 0.000 0.268 104 I C 1.899 177.847 176.117 -0.283 0.000 1.267 104 I CA 0.680 61.680 61.300 -0.499 0.000 1.472 104 I CB -0.685 37.223 38.000 -0.153 0.000 1.089 104 I HN 0.113 nan 8.210 nan 0.000 0.468 105 K N 1.777 122.043 120.400 -0.223 0.000 2.218 105 K HA -0.113 4.205 4.320 -0.002 0.000 0.205 105 K C 1.540 178.072 176.600 -0.113 0.000 1.046 105 K CA 1.978 58.210 56.287 -0.091 0.000 0.933 105 K CB -0.759 31.737 32.500 -0.006 0.000 0.728 105 K HN 0.334 nan 8.250 nan 0.000 0.454 106 V N 0.532 120.261 119.914 -0.307 0.000 2.548 106 V HA -0.082 4.037 4.120 -0.002 0.000 0.249 106 V C 0.596 176.539 176.094 -0.252 0.000 1.055 106 V CA 1.129 63.090 62.300 -0.566 0.000 1.065 106 V CB -0.798 30.711 31.823 -0.523 0.000 0.681 106 V HN 0.603 nan 8.190 nan 0.000 0.462 107 N N -0.456 118.220 118.700 -0.040 0.000 2.905 107 N HA 0.144 4.883 4.740 -0.002 0.000 0.255 107 N C -0.211 175.369 175.510 0.116 0.000 1.199 107 N CA -0.175 52.920 53.050 0.076 0.000 0.911 107 N CB 1.680 40.254 38.487 0.144 0.000 1.550 107 N HN 0.041 nan 8.380 nan 0.000 0.599 108 Q N 0.427 120.262 119.800 0.057 0.000 2.360 108 Q HA 0.219 4.558 4.340 -0.002 0.000 0.202 108 Q C -0.030 175.992 176.000 0.036 0.000 0.915 108 Q CA 0.263 56.094 55.803 0.047 0.000 0.943 108 Q CB 0.361 29.104 28.738 0.008 0.000 1.064 108 Q HN 0.517 nan 8.270 nan 0.000 0.511 109 Q N 0.810 120.630 119.800 0.032 0.000 2.286 109 Q HA -0.061 4.278 4.340 -0.002 0.000 0.290 109 Q C 0.810 176.789 176.000 -0.037 0.000 1.049 109 Q CA 0.201 56.002 55.803 -0.003 0.000 0.923 109 Q CB 0.630 29.369 28.738 0.001 0.000 1.183 109 Q HN 0.248 nan 8.270 nan 0.000 0.383 110 R N 2.826 123.287 120.500 -0.065 0.000 2.103 110 R HA -0.198 4.141 4.340 -0.002 0.000 0.242 110 R C 1.591 177.793 176.300 -0.162 0.000 1.142 110 R CA 1.999 58.041 56.100 -0.097 0.000 0.960 110 R CB 0.155 30.393 30.300 -0.104 0.000 0.858 110 R HN 0.733 nan 8.270 nan 0.000 0.439 111 E N -0.091 119.974 120.200 -0.224 0.000 2.285 111 E HA -0.070 4.279 4.350 -0.002 0.000 0.194 111 E C 1.991 178.474 176.600 -0.195 0.000 0.997 111 E CA 0.741 56.946 56.400 -0.325 0.000 0.845 111 E CB -0.381 29.036 29.700 -0.472 0.000 0.782 111 E HN 0.183 nan 8.360 nan 0.000 0.491 112 V N 1.541 121.369 119.914 -0.144 0.000 2.302 112 V HA -0.182 3.937 4.120 -0.002 0.000 0.243 112 V C 2.685 178.649 176.094 -0.216 0.000 1.036 112 V CA 1.399 63.585 62.300 -0.190 0.000 1.020 112 V CB -0.355 31.389 31.823 -0.131 0.000 0.657 112 V HN 0.090 nan 8.190 nan 0.000 0.453 113 V N 0.250 120.084 119.914 -0.133 0.000 2.343 113 V HA -0.262 3.857 4.120 -0.002 0.000 0.247 113 V C 2.308 178.347 176.094 -0.091 0.000 1.051 113 V CA 2.170 64.407 62.300 -0.105 0.000 1.036 113 V CB -0.778 31.059 31.823 0.023 0.000 0.654 113 V HN 0.519 nan 8.190 nan 0.000 0.451 114 D N -0.160 120.198 120.400 -0.070 0.000 2.123 114 D HA -0.151 4.488 4.640 -0.002 0.000 0.196 114 D C 2.317 178.617 176.300 -0.000 0.000 0.992 114 D CA 1.184 55.168 54.000 -0.026 0.000 0.833 114 D CB -0.161 40.617 40.800 -0.038 0.000 0.954 114 D HN 0.441 nan 8.370 nan 0.000 0.455 115 E N 0.262 120.447 120.200 -0.025 0.000 2.072 115 E HA -0.110 4.239 4.350 -0.002 0.000 0.191 115 E C 2.331 178.955 176.600 0.039 0.000 0.985 115 E CA 0.264 56.700 56.400 0.061 0.000 0.801 115 E CB -0.144 29.533 29.700 -0.038 0.000 0.750 115 E HN 0.296 nan 8.360 nan 0.000 0.452 116 I N 1.330 121.824 120.570 -0.126 0.000 2.151 116 I HA -0.262 3.907 4.170 -0.002 0.000 0.243 116 I C 2.553 178.633 176.117 -0.061 0.000 1.080 116 I CA 1.136 62.336 61.300 -0.166 0.000 1.339 116 I CB -1.282 36.474 38.000 -0.406 0.000 1.039 116 I HN 0.093 nan 8.210 nan 0.000 0.409 117 L N 0.278 121.480 121.223 -0.036 0.000 2.056 117 L HA -0.158 4.181 4.340 -0.002 0.000 0.207 117 L C 2.796 179.682 176.870 0.026 0.000 1.078 117 L CA 1.205 56.048 54.840 0.005 0.000 0.749 117 L CB -0.705 41.367 42.059 0.022 0.000 0.901 117 L HN 0.191 nan 8.230 nan 0.000 0.433 118 A N -0.269 122.576 122.820 0.042 0.000 1.873 118 A HA -0.253 4.065 4.320 -0.002 0.000 0.218 118 A C 2.507 180.086 177.584 -0.009 0.000 1.193 118 A CA 2.324 54.380 52.037 0.032 0.000 0.629 118 A CB -0.790 18.247 19.000 0.062 0.000 0.826 118 A HN 0.381 nan 8.150 nan 0.000 0.447 119 S N -0.347 115.356 115.700 0.004 0.000 2.378 119 S HA -0.285 4.183 4.470 -0.002 0.000 0.221 119 S C 2.108 176.701 174.600 -0.012 0.000 1.037 119 S CA 1.811 60.008 58.200 -0.006 0.000 1.069 119 S CB -0.566 62.643 63.200 0.015 0.000 1.006 119 S HN 0.702 nan 8.310 nan 0.000 0.423 120 Q N 0.679 120.460 119.800 -0.032 0.000 2.173 120 Q HA -0.204 4.135 4.340 -0.002 0.000 0.208 120 Q C 2.423 178.443 176.000 0.033 0.000 0.989 120 Q CA 1.413 57.209 55.803 -0.011 0.000 0.872 120 Q CB -0.474 28.262 28.738 -0.003 0.000 0.909 120 Q HN 0.616 nan 8.270 nan 0.000 0.420 121 A N 0.931 123.773 122.820 0.037 0.000 1.917 121 A HA -0.229 4.090 4.320 -0.002 0.000 0.219 121 A C 1.896 179.516 177.584 0.060 0.000 1.182 121 A CA 1.462 53.527 52.037 0.046 0.000 0.633 121 A CB -0.295 18.728 19.000 0.038 0.000 0.819 121 A HN 0.217 nan 8.150 nan 0.000 0.448 122 Q N -0.525 119.323 119.800 0.080 0.000 2.444 122 Q HA 0.198 4.536 4.340 -0.002 0.000 0.206 122 Q C 0.082 176.192 176.000 0.184 0.000 0.948 122 Q CA 0.124 55.992 55.803 0.110 0.000 0.946 122 Q CB -0.735 28.058 28.738 0.092 0.000 1.027 122 Q HN 0.728 nan 8.270 nan 0.000 0.513 123 L N -0.585 120.757 121.223 0.198 0.000 2.421 123 L HA 0.237 4.576 4.340 -0.002 0.000 0.263 123 L C 1.707 178.653 176.870 0.127 0.000 1.122 123 L CA -0.567 54.398 54.840 0.209 0.000 0.804 123 L CB 0.222 42.404 42.059 0.205 0.000 1.150 123 L HN -0.065 nan 8.230 nan 0.000 0.457 124 E N -0.289 119.983 120.200 0.120 0.000 2.086 124 E HA -0.349 4.000 4.350 -0.002 0.000 0.205 124 E C 1.623 178.272 176.600 0.081 0.000 1.027 124 E CA 2.396 58.849 56.400 0.088 0.000 0.830 124 E CB -0.889 28.864 29.700 0.088 0.000 0.751 124 E HN 0.839 nan 8.360 nan 0.000 0.456 125 T N -0.146 114.462 114.554 0.090 0.000 2.951 125 T HA -0.075 4.273 4.350 -0.002 0.000 0.268 125 T C 0.465 175.206 174.700 0.070 0.000 1.073 125 T CA 1.486 63.633 62.100 0.078 0.000 1.134 125 T CB -0.265 68.653 68.868 0.083 0.000 0.884 125 T HN 0.352 nan 8.240 nan 0.000 0.479 126 K N 0.326 120.769 120.400 0.072 0.000 3.192 126 K HA -0.146 4.172 4.320 -0.002 0.000 0.278 126 K C -0.311 176.324 176.600 0.058 0.000 1.164 126 K CA 0.381 56.705 56.287 0.063 0.000 0.816 126 K CB -1.256 31.278 32.500 0.057 0.000 1.256 126 K HN 0.392 nan 8.250 nan 0.000 0.497 127 Q N 0.884 120.716 119.800 0.054 0.000 2.307 127 Q HA 0.442 4.781 4.340 -0.002 0.000 0.262 127 Q C -1.012 175.011 176.000 0.038 0.000 0.961 127 Q CA -0.772 55.061 55.803 0.051 0.000 0.882 127 Q CB 0.907 29.678 28.738 0.054 0.000 1.264 127 Q HN 0.154 nan 8.270 nan 0.000 0.446 128 L N 2.786 124.038 121.223 0.048 0.000 2.367 128 L HA 0.622 4.961 4.340 -0.002 0.000 0.275 128 L C 0.528 177.416 176.870 0.030 0.000 1.129 128 L CA 0.631 55.496 54.840 0.042 0.000 0.839 128 L CB 1.179 43.275 42.059 0.061 0.000 1.133 128 L HN 0.733 nan 8.230 nan 0.000 0.453 129 G N 4.822 113.629 108.800 0.013 0.000 2.723 129 G HA2 0.662 4.621 3.960 -0.002 0.000 0.295 129 G HA3 0.662 4.621 3.960 -0.002 0.000 0.295 129 G C -1.381 173.528 174.900 0.014 0.000 1.464 129 G CA -0.361 44.736 45.100 -0.005 0.000 1.012 129 G HN 0.408 nan 8.290 nan 0.000 0.522 130 L N 1.276 122.495 121.223 -0.008 0.000 2.370 130 L HA 0.680 5.019 4.340 -0.002 0.000 0.266 130 L C -0.485 176.349 176.870 -0.059 0.000 1.002 130 L CA -1.034 53.800 54.840 -0.010 0.000 0.818 130 L CB 2.789 44.840 42.059 -0.013 0.000 1.325 130 L HN 0.414 nan 8.230 nan 0.000 0.418 131 E N 1.660 121.803 120.200 -0.095 0.000 2.222 131 E HA 0.735 5.083 4.350 -0.002 0.000 0.267 131 E C -1.718 174.807 176.600 -0.125 0.000 0.884 131 E CA -0.628 55.704 56.400 -0.113 0.000 0.764 131 E CB 2.420 32.042 29.700 -0.130 0.000 1.169 131 E HN 0.661 nan 8.360 nan 0.000 0.413 132 A N 1.922 124.687 122.820 -0.092 0.000 2.350 132 A HA 0.688 5.007 4.320 -0.002 0.000 0.324 132 A C 0.415 177.967 177.584 -0.053 0.000 1.118 132 A CA -0.096 51.895 52.037 -0.077 0.000 0.783 132 A CB 1.440 20.408 19.000 -0.054 0.000 1.236 132 A HN 0.593 nan 8.150 nan 0.000 0.457 133 G N 0.015 108.783 108.800 -0.053 0.000 3.377 133 G HA2 0.463 4.422 3.960 -0.002 0.000 0.257 133 G HA3 0.463 4.422 3.960 -0.002 0.000 0.257 133 G C 0.157 175.075 174.900 0.030 0.000 1.038 133 G CA 0.756 45.838 45.100 -0.031 0.000 0.809 133 G HN 1.734 nan 8.290 nan 0.000 0.526 134 S N -1.637 114.054 115.700 -0.014 0.000 2.611 134 S HA 0.327 4.795 4.470 -0.002 0.000 0.270 134 S C 0.563 174.847 174.600 -0.528 0.000 1.131 134 S CA -0.281 57.867 58.200 -0.087 0.000 0.826 134 S CB 1.503 64.676 63.200 -0.045 0.000 1.095 134 S HN 0.001 nan 8.310 nan 0.000 0.461 135 K N 1.033 121.008 120.400 -0.709 0.000 2.020 135 K HA -0.038 4.281 4.320 -0.002 0.000 0.212 135 K C -0.859 175.469 176.600 -0.453 0.000 1.050 135 K CA 2.228 57.990 56.287 -0.875 0.000 0.929 135 K CB -1.217 31.043 32.500 -0.400 0.000 0.714 135 K HN 0.568 nan 8.250 nan 0.000 0.443 136 P HA -0.134 nan 4.420 nan 0.000 0.220 136 P C 0.516 177.719 177.300 -0.163 0.000 1.148 136 P CA 1.376 64.376 63.100 -0.166 0.000 0.803 136 P CB -0.032 31.607 31.700 -0.103 0.000 0.782 137 E N -0.769 119.323 120.200 -0.181 0.000 2.208 137 E HA -0.117 4.232 4.350 -0.002 0.000 0.193 137 E C 1.916 178.426 176.600 -0.150 0.000 0.988 137 E CA 0.359 56.676 56.400 -0.138 0.000 0.828 137 E CB -0.409 29.223 29.700 -0.114 0.000 0.763 137 E HN 0.127 nan 8.360 nan 0.000 0.478 138 L N 0.581 121.671 121.223 -0.222 0.000 2.044 138 L HA -0.113 4.226 4.340 -0.002 0.000 0.205 138 L C 1.977 178.769 176.870 -0.130 0.000 1.075 138 L CA 1.427 56.163 54.840 -0.174 0.000 0.747 138 L CB -0.295 41.629 42.059 -0.226 0.000 0.903 138 L HN 0.060 nan 8.230 nan 0.000 0.435 139 L N -0.085 121.056 121.223 -0.138 0.000 2.079 139 L HA -0.200 4.139 4.340 -0.002 0.000 0.210 139 L C 2.681 179.506 176.870 -0.075 0.000 1.081 139 L CA 1.485 56.271 54.840 -0.091 0.000 0.752 139 L CB -0.877 41.131 42.059 -0.086 0.000 0.896 139 L HN 0.411 nan 8.230 nan 0.000 0.433 140 A N -0.926 121.847 122.820 -0.079 0.000 1.930 140 A HA -0.124 4.194 4.320 -0.002 0.000 0.217 140 A C 2.352 179.899 177.584 -0.062 0.000 1.175 140 A CA 1.574 53.574 52.037 -0.062 0.000 0.627 140 A CB -0.752 18.213 19.000 -0.057 0.000 0.815 140 A HN 0.178 nan 8.150 nan 0.000 0.443 141 V N 0.086 119.953 119.914 -0.077 0.000 2.295 141 V HA -0.251 3.868 4.120 -0.002 0.000 0.246 141 V C 2.568 178.601 176.094 -0.102 0.000 1.049 141 V CA 2.054 64.302 62.300 -0.086 0.000 1.024 141 V CB -0.669 31.094 31.823 -0.100 0.000 0.648 141 V HN 0.581 nan 8.190 nan 0.000 0.447 142 L N -0.176 120.989 121.223 -0.096 0.000 2.093 142 L HA -0.114 4.225 4.340 -0.002 0.000 0.208 142 L C 2.701 179.551 176.870 -0.034 0.000 1.085 142 L CA 1.332 56.128 54.840 -0.073 0.000 0.755 142 L CB -0.814 41.226 42.059 -0.031 0.000 0.904 142 L HN 0.348 nan 8.230 nan 0.000 0.435 143 A N 0.141 122.934 122.820 -0.045 0.000 1.865 143 A HA -0.251 4.068 4.320 -0.002 0.000 0.217 143 A C 2.273 179.821 177.584 -0.059 0.000 1.191 143 A CA 1.963 53.972 52.037 -0.047 0.000 0.623 143 A CB -0.533 18.441 19.000 -0.044 0.000 0.826 143 A HN 0.371 nan 8.150 nan 0.000 0.444 144 M N -0.921 118.649 119.600 -0.051 0.000 2.557 144 M HA 0.010 4.489 4.480 -0.002 0.000 0.259 144 M C 1.094 177.373 176.300 -0.036 0.000 1.086 144 M CA 0.977 56.252 55.300 -0.042 0.000 1.096 144 M CB -0.085 32.499 32.600 -0.026 0.000 1.424 144 M HN 0.430 nan 8.290 nan 0.000 0.488 145 A N -0.007 122.793 122.820 -0.033 0.000 3.113 145 A HA 0.280 4.599 4.320 -0.002 0.000 0.307 145 A C 0.804 178.447 177.584 0.098 0.000 1.025 145 A CA -0.477 51.575 52.037 0.026 0.000 1.012 145 A CB -0.027 18.976 19.000 0.006 0.000 1.085 145 A HN 0.394 nan 8.150 nan 0.000 0.519 146 Q N -0.588 119.160 119.800 -0.085 0.000 2.432 146 Q HA -0.021 4.318 4.340 -0.002 0.000 0.205 146 Q C 0.788 176.724 176.000 -0.106 0.000 0.945 146 Q CA 0.605 56.335 55.803 -0.121 0.000 0.924 146 Q CB 0.144 28.736 28.738 -0.242 0.000 1.016 146 Q HN 0.785 nan 8.270 nan 0.000 0.503 147 H N -0.814 118.292 119.070 0.060 0.000 2.562 147 H HA 0.399 4.954 4.556 -0.002 0.000 0.267 147 H C 0.197 175.543 175.328 0.030 0.000 0.959 147 H CA 0.615 56.685 56.048 0.036 0.000 1.204 147 H CB 0.786 30.570 29.762 0.036 0.000 1.430 147 H HN 0.148 nan 8.280 nan 0.000 0.545 148 A N -0.217 122.694 122.820 0.152 0.000 2.606 148 A HA 0.389 4.707 4.320 -0.002 0.000 0.293 148 A C -0.418 177.215 177.584 0.082 0.000 1.082 148 A CA -0.543 51.552 52.037 0.095 0.000 0.685 148 A CB 1.190 20.252 19.000 0.103 0.000 1.284 148 A HN 0.038 nan 8.150 nan 0.000 0.408 149 S N 0.581 116.294 115.700 0.021 0.000 2.546 149 S HA 0.376 4.845 4.470 -0.002 0.000 0.290 149 S C 0.364 175.082 174.600 0.197 0.000 1.262 149 S CA 0.841 59.072 58.200 0.051 0.000 1.083 149 S CB -0.270 62.940 63.200 0.016 0.000 0.859 149 S HN 1.507 nan 8.310 nan 0.000 0.495 150 S N 3.862 119.809 115.700 0.411 0.000 2.566 150 S HA 0.578 5.046 4.470 -0.002 0.000 0.298 150 S C -0.613 174.073 174.600 0.144 0.000 1.083 150 S CA -0.819 57.504 58.200 0.205 0.000 0.978 150 S CB 1.317 64.574 63.200 0.096 0.000 1.073 150 S HN 0.579 nan 8.310 nan 0.000 0.491 151 V N 4.802 124.769 119.914 0.089 0.000 2.572 151 V HA 0.332 4.451 4.120 -0.002 0.000 0.291 151 V C -0.202 175.910 176.094 0.030 0.000 1.039 151 V CA 0.292 62.647 62.300 0.091 0.000 1.055 151 V CB 0.368 32.229 31.823 0.063 0.000 0.969 151 V HN 0.687 nan 8.190 nan 0.000 0.482 152 I N 5.521 126.120 120.570 0.050 0.000 2.468 152 I HA 0.372 4.540 4.170 -0.002 0.000 0.285 152 I C -0.625 175.525 176.117 0.055 0.000 1.039 152 I CA -0.651 60.643 61.300 -0.011 0.000 1.074 152 I CB 2.023 39.962 38.000 -0.103 0.000 1.228 152 I HN 0.244 nan 8.210 nan 0.000 0.436 153 V N 5.147 125.061 119.914 -0.001 0.000 2.407 153 V HA 0.271 4.390 4.120 -0.002 0.000 0.278 153 V C -0.175 175.884 176.094 -0.059 0.000 1.037 153 V CA -0.440 61.846 62.300 -0.023 0.000 0.900 153 V CB 1.403 33.169 31.823 -0.096 0.000 0.983 153 V HN 0.786 nan 8.190 nan 0.000 0.459 154 C N 6.082 125.343 119.300 -0.065 0.000 2.251 154 C HA 0.528 4.987 4.460 -0.002 0.000 0.323 154 C C 0.502 175.378 174.990 -0.191 0.000 1.241 154 C CA -0.938 58.045 59.018 -0.058 0.000 1.601 154 C CB -0.899 26.814 27.740 -0.044 0.000 2.251 154 C HN 0.880 nan 8.230 nan 0.000 0.488 155 N N 0.910 119.499 118.700 -0.185 0.000 2.741 155 N HA 0.748 5.487 4.740 -0.002 0.000 0.310 155 N C 0.359 175.696 175.510 -0.287 0.000 1.295 155 N CA 0.528 53.374 53.050 -0.339 0.000 0.893 155 N CB 1.747 40.009 38.487 -0.375 0.000 1.247 155 N HN 0.970 nan 8.380 nan 0.000 0.596 156 G N -0.254 108.196 108.800 -0.583 0.000 2.615 156 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.218 156 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.218 156 G C -1.308 173.351 174.900 -0.401 0.000 1.339 156 G CA -0.536 44.244 45.100 -0.532 0.000 0.884 156 G HN 0.516 nan 8.290 nan 0.000 0.559 157 Y N 2.038 122.320 120.300 -0.030 0.000 2.327 157 Y HA 0.598 5.146 4.550 -0.002 0.000 0.336 157 Y C 0.639 176.599 175.900 0.101 0.000 1.035 157 Y CA -0.148 58.003 58.100 0.084 0.000 1.165 157 Y CB 0.854 39.451 38.460 0.229 0.000 1.181 157 Y HN 0.396 nan 8.280 nan 0.000 0.494 158 K N 6.069 126.320 120.400 -0.248 0.000 2.425 158 K HA 0.207 4.526 4.320 -0.002 0.000 0.259 158 K C -0.949 175.647 176.600 -0.007 0.000 0.978 158 K CA -0.964 55.219 56.287 -0.173 0.000 0.883 158 K CB 1.009 33.151 32.500 -0.597 0.000 1.110 158 K HN 0.662 nan 8.250 nan 0.000 0.436 159 D N 1.383 121.904 120.400 0.202 0.000 2.440 159 D HA 0.054 4.693 4.640 -0.002 0.000 0.269 159 D C 0.941 177.295 176.300 0.089 0.000 1.249 159 D CA -0.548 53.548 54.000 0.159 0.000 1.055 159 D CB 0.714 41.622 40.800 0.180 0.000 1.104 159 D HN 0.307 nan 8.370 nan 0.000 0.561 160 R N -0.530 120.012 120.500 0.069 0.000 2.091 160 R HA -0.187 4.152 4.340 -0.002 0.000 0.238 160 R C 2.061 178.398 176.300 0.061 0.000 1.136 160 R CA 1.752 57.879 56.100 0.044 0.000 0.959 160 R CB -0.149 30.172 30.300 0.036 0.000 0.856 160 R HN 0.671 nan 8.270 nan 0.000 0.437 161 E N -0.574 119.674 120.200 0.081 0.000 2.051 161 E HA -0.252 4.097 4.350 -0.002 0.000 0.192 161 E C 1.782 178.463 176.600 0.136 0.000 0.991 161 E CA 1.256 57.703 56.400 0.080 0.000 0.799 161 E CB -0.267 29.468 29.700 0.058 0.000 0.748 161 E HN 0.492 nan 8.360 nan 0.000 0.449 162 Y N 0.517 120.815 120.300 -0.004 0.000 2.114 162 Y HA -0.281 4.268 4.550 -0.002 0.000 0.282 162 Y C 2.142 178.021 175.900 -0.035 0.000 1.165 162 Y CA 0.848 58.936 58.100 -0.019 0.000 1.148 162 Y CB 0.085 38.536 38.460 -0.014 0.000 0.972 162 Y HN 0.117 nan 8.280 nan 0.000 0.504 163 I N 0.847 121.472 120.570 0.092 0.000 2.142 163 I HA -0.312 3.857 4.170 -0.002 0.000 0.240 163 I C 2.377 178.503 176.117 0.015 0.000 1.078 163 I CA 1.644 62.924 61.300 -0.034 0.000 1.343 163 I CB -1.280 36.676 38.000 -0.075 0.000 1.046 163 I HN 0.320 nan 8.210 nan 0.000 0.405 164 R N 0.241 120.761 120.500 0.033 0.000 2.120 164 R HA -0.108 4.231 4.340 -0.002 0.000 0.234 164 R C 2.330 178.651 176.300 0.035 0.000 1.123 164 R CA 0.985 57.100 56.100 0.024 0.000 0.975 164 R CB -0.298 30.015 30.300 0.021 0.000 0.866 164 R HN 0.336 nan 8.270 nan 0.000 0.446 165 L N -0.075 121.187 121.223 0.065 0.000 2.156 165 L HA -0.076 4.263 4.340 -0.002 0.000 0.208 165 L C 2.624 179.530 176.870 0.059 0.000 1.095 165 L CA 0.978 55.851 54.840 0.054 0.000 0.770 165 L CB -0.453 41.635 42.059 0.047 0.000 0.914 165 L HN 0.211 nan 8.230 nan 0.000 0.439 166 A N 0.188 123.062 122.820 0.090 0.000 1.898 166 A HA -0.129 4.190 4.320 -0.002 0.000 0.216 166 A C 2.228 179.816 177.584 0.008 0.000 1.181 166 A CA 1.312 53.381 52.037 0.055 0.000 0.620 166 A CB -0.618 18.407 19.000 0.043 0.000 0.819 166 A HN 0.347 nan 8.150 nan 0.000 0.442 167 L N -0.673 120.547 121.223 -0.004 0.000 2.093 167 L HA -0.123 4.216 4.340 -0.002 0.000 0.208 167 L C 2.388 179.253 176.870 -0.009 0.000 1.085 167 L CA 0.897 55.724 54.840 -0.021 0.000 0.755 167 L CB -0.470 41.574 42.059 -0.025 0.000 0.904 167 L HN 0.348 nan 8.230 nan 0.000 0.435 168 I N -0.005 120.568 120.570 0.005 0.000 2.226 168 I HA -0.231 3.937 4.170 -0.002 0.000 0.245 168 I C 2.605 178.736 176.117 0.023 0.000 1.100 168 I CA 1.533 62.839 61.300 0.010 0.000 1.374 168 I CB -0.772 37.236 38.000 0.013 0.000 1.057 168 I HN 0.280 nan 8.210 nan 0.000 0.413 169 G N 0.081 108.906 108.800 0.042 0.000 2.432 169 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.219 169 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.219 169 G C 1.512 176.467 174.900 0.090 0.000 1.135 169 G CA 1.010 46.169 45.100 0.099 0.000 0.767 169 G HN 0.365 nan 8.290 nan 0.000 0.550 170 E N 0.599 120.813 120.200 0.023 0.000 2.072 170 E HA -0.037 4.312 4.350 -0.002 0.000 0.191 170 E C 2.364 178.950 176.600 -0.022 0.000 0.985 170 E CA 1.167 57.558 56.400 -0.014 0.000 0.801 170 E CB -0.215 29.450 29.700 -0.058 0.000 0.750 170 E HN 0.389 nan 8.360 nan 0.000 0.452 171 K N -0.357 120.032 120.400 -0.018 0.000 2.152 171 K HA -0.064 4.255 4.320 -0.002 0.000 0.206 171 K C 1.404 177.985 176.600 -0.031 0.000 1.048 171 K CA 1.245 57.518 56.287 -0.023 0.000 0.933 171 K CB -0.088 32.402 32.500 -0.016 0.000 0.721 171 K HN 0.222 nan 8.250 nan 0.000 0.447 172 L N -0.647 120.556 121.223 -0.033 0.000 2.627 172 L HA 0.195 4.534 4.340 -0.002 0.000 0.232 172 L C 0.956 177.740 176.870 -0.143 0.000 1.150 172 L CA 0.245 55.044 54.840 -0.068 0.000 0.917 172 L CB 0.218 42.244 42.059 -0.055 0.000 1.104 172 L HN 0.352 nan 8.230 nan 0.000 0.445 173 G N -1.022 107.711 108.800 -0.111 0.000 2.159 173 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.227 173 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.227 173 G C 0.085 174.899 174.900 -0.143 0.000 0.986 173 G CA -0.311 44.712 45.100 -0.128 0.000 0.651 173 G HN 0.514 nan 8.290 nan 0.000 0.523 174 H N 0.462 119.515 119.070 -0.028 0.000 2.547 174 H HA 0.505 5.060 4.556 -0.002 0.000 0.362 174 H C 0.502 175.791 175.328 -0.065 0.000 1.181 174 H CA 0.013 56.043 56.048 -0.030 0.000 1.376 174 H CB 0.678 30.424 29.762 -0.027 0.000 1.488 174 H HN 0.081 nan 8.280 nan 0.000 0.583 175 K N 2.248 122.698 120.400 0.082 0.000 2.231 175 K HA 0.206 4.525 4.320 -0.002 0.000 0.275 175 K C -1.092 175.417 176.600 -0.151 0.000 1.105 175 K CA -0.308 55.926 56.287 -0.087 0.000 0.931 175 K CB 0.709 33.202 32.500 -0.013 0.000 1.296 175 K HN 0.214 nan 8.250 nan 0.000 0.446 176 V N 5.002 124.768 119.914 -0.247 0.000 2.318 176 V HA 0.260 4.379 4.120 -0.002 0.000 0.271 176 V C -0.420 175.481 176.094 -0.321 0.000 1.030 176 V CA -0.712 61.487 62.300 -0.169 0.000 0.844 176 V CB -0.172 31.599 31.823 -0.087 0.000 1.015 176 V HN 0.488 nan 8.190 nan 0.000 0.460 177 F N 4.991 124.869 119.950 -0.120 0.000 2.404 177 F HA 0.503 5.029 4.527 -0.002 0.000 0.358 177 F C 0.566 176.281 175.800 -0.142 0.000 1.120 177 F CA -0.457 57.463 58.000 -0.134 0.000 1.144 177 F CB 0.892 39.789 39.000 -0.172 0.000 1.133 177 F HN 0.302 nan 8.300 nan 0.000 0.495 178 I N 5.045 125.605 120.570 -0.016 0.000 2.281 178 I HA 0.151 4.319 4.170 -0.002 0.000 0.293 178 I C -0.517 175.538 176.117 -0.103 0.000 1.085 178 I CA -0.603 60.637 61.300 -0.101 0.000 1.257 178 I CB 0.518 38.435 38.000 -0.138 0.000 1.430 178 I HN 0.224 nan 8.210 nan 0.000 0.489 179 V N 7.729 127.549 119.914 -0.157 0.000 2.415 179 V HA 0.107 4.226 4.120 -0.002 0.000 0.267 179 V C 0.585 176.557 176.094 -0.204 0.000 1.042 179 V CA -0.434 61.761 62.300 -0.175 0.000 1.000 179 V CB 0.565 32.205 31.823 -0.305 0.000 1.015 179 V HN 0.490 nan 8.190 nan 0.000 0.478 180 L N 5.243 126.387 121.223 -0.132 0.000 2.534 180 L HA 0.153 4.492 4.340 -0.002 0.000 0.271 180 L C 1.105 177.905 176.870 -0.118 0.000 1.178 180 L CA 0.532 55.297 54.840 -0.125 0.000 0.907 180 L CB 0.055 42.076 42.059 -0.063 0.000 1.164 180 L HN 0.709 nan 8.230 nan 0.000 0.482 181 E N 2.010 122.120 120.200 -0.149 0.000 2.541 181 E HA 0.103 4.452 4.350 -0.002 0.000 0.219 181 E C -0.094 176.534 176.600 0.046 0.000 0.922 181 E CA -0.053 56.304 56.400 -0.072 0.000 1.095 181 E CB 0.955 30.503 29.700 -0.254 0.000 1.112 181 E HN 0.461 nan 8.360 nan 0.000 0.516 182 K N 0.261 120.644 120.400 -0.028 0.000 2.498 182 K HA 0.211 4.530 4.320 -0.002 0.000 0.254 182 K C 0.231 176.814 176.600 -0.029 0.000 0.933 182 K CA -0.430 55.856 56.287 -0.003 0.000 0.806 182 K CB 1.473 33.957 32.500 -0.026 0.000 1.301 182 K HN -0.158 nan 8.250 nan 0.000 0.432 183 M N 2.541 122.141 119.600 0.001 0.000 2.149 183 M HA -0.129 4.350 4.480 -0.002 0.000 0.261 183 M C 1.407 177.699 176.300 -0.014 0.000 1.064 183 M CA 2.575 57.877 55.300 0.003 0.000 1.102 183 M CB -0.285 32.329 32.600 0.022 0.000 1.369 183 M HN 0.721 nan 8.290 nan 0.000 0.408 184 S N -1.150 114.538 115.700 -0.020 0.000 2.481 184 S HA -0.087 4.382 4.470 -0.002 0.000 0.231 184 S C 1.618 176.186 174.600 -0.054 0.000 0.996 184 S CA 1.030 59.216 58.200 -0.023 0.000 0.942 184 S CB -0.755 62.441 63.200 -0.007 0.000 0.768 184 S HN 0.670 nan 8.310 nan 0.000 0.520 185 E N 0.856 121.001 120.200 -0.091 0.000 2.110 185 E HA -0.099 4.249 4.350 -0.002 0.000 0.193 185 E C 1.902 178.449 176.600 -0.089 0.000 0.988 185 E CA 1.089 57.414 56.400 -0.126 0.000 0.804 185 E CB -0.347 29.238 29.700 -0.191 0.000 0.745 185 E HN 0.436 nan 8.360 nan 0.000 0.458 186 L N 1.696 122.882 121.223 -0.061 0.000 2.013 186 L HA -0.258 4.081 4.340 -0.002 0.000 0.212 186 L C 1.897 178.746 176.870 -0.036 0.000 1.073 186 L CA 2.266 57.080 54.840 -0.043 0.000 0.753 186 L CB -0.480 41.565 42.059 -0.022 0.000 0.890 186 L HN 0.036 nan 8.230 nan 0.000 0.432 187 D N -1.556 118.827 120.400 -0.028 0.000 2.178 187 D HA -0.206 4.433 4.640 -0.002 0.000 0.202 187 D C 2.089 178.375 176.300 -0.024 0.000 0.974 187 D CA 1.044 55.032 54.000 -0.019 0.000 0.841 187 D CB -0.055 40.738 40.800 -0.011 0.000 0.953 187 D HN 0.307 nan 8.370 nan 0.000 0.478 188 L N -0.145 121.057 121.223 -0.035 0.000 2.056 188 L HA -0.053 4.286 4.340 -0.002 0.000 0.207 188 L C 2.140 178.985 176.870 -0.043 0.000 1.078 188 L CA 1.322 56.140 54.840 -0.037 0.000 0.749 188 L CB -0.581 41.449 42.059 -0.049 0.000 0.901 188 L HN 0.007 nan 8.230 nan 0.000 0.433 189 V N -0.223 119.656 119.914 -0.058 0.000 2.295 189 V HA -0.303 3.816 4.120 -0.002 0.000 0.246 189 V C 2.596 178.665 176.094 -0.042 0.000 1.049 189 V CA 2.009 64.273 62.300 -0.060 0.000 1.024 189 V CB -0.615 31.163 31.823 -0.075 0.000 0.648 189 V HN 0.435 nan 8.190 nan 0.000 0.447 190 L N -0.490 120.713 121.223 -0.033 0.000 2.012 190 L HA -0.232 4.107 4.340 -0.002 0.000 0.210 190 L C 2.728 179.586 176.870 -0.019 0.000 1.073 190 L CA 2.015 56.842 54.840 -0.023 0.000 0.748 190 L CB -0.643 41.407 42.059 -0.016 0.000 0.891 190 L HN 0.236 nan 8.230 nan 0.000 0.431 191 R N 0.005 120.495 120.500 -0.018 0.000 2.080 191 R HA -0.165 4.174 4.340 -0.002 0.000 0.236 191 R C 2.270 178.562 176.300 -0.014 0.000 1.137 191 R CA 1.479 57.572 56.100 -0.013 0.000 0.943 191 R CB 0.003 30.296 30.300 -0.011 0.000 0.846 191 R HN 0.259 nan 8.270 nan 0.000 0.431 192 E N -0.092 120.097 120.200 -0.018 0.000 2.274 192 E HA -0.089 4.260 4.350 -0.002 0.000 0.194 192 E C 1.706 178.295 176.600 -0.018 0.000 0.996 192 E CA 1.004 57.395 56.400 -0.016 0.000 0.840 192 E CB -0.059 29.630 29.700 -0.018 0.000 0.772 192 E HN 0.447 nan 8.360 nan 0.000 0.491 193 A N 1.549 124.356 122.820 -0.023 0.000 1.929 193 A HA -0.140 4.178 4.320 -0.002 0.000 0.216 193 A C 2.159 179.732 177.584 -0.018 0.000 1.176 193 A CA 1.299 53.321 52.037 -0.025 0.000 0.628 193 A CB -0.238 18.744 19.000 -0.030 0.000 0.816 193 A HN 0.042 nan 8.150 nan 0.000 0.444 194 K N -0.142 120.249 120.400 -0.015 0.000 2.062 194 K HA -0.104 4.215 4.320 -0.002 0.000 0.205 194 K C 2.360 178.954 176.600 -0.009 0.000 1.051 194 K CA 1.419 57.699 56.287 -0.011 0.000 0.941 194 K CB -0.259 32.236 32.500 -0.009 0.000 0.719 194 K HN 0.420 nan 8.250 nan 0.000 0.440 195 S N 0.949 116.644 115.700 -0.008 0.000 2.365 195 S HA -0.132 4.337 4.470 -0.002 0.000 0.225 195 S C 1.796 176.392 174.600 -0.006 0.000 1.039 195 S CA 1.251 59.448 58.200 -0.006 0.000 1.033 195 S CB -0.110 63.087 63.200 -0.005 0.000 0.887 195 S HN 0.384 nan 8.310 nan 0.000 0.447 196 L N 0.769 121.987 121.223 -0.009 0.000 2.611 196 L HA 0.294 4.633 4.340 -0.002 0.000 0.229 196 L C 1.342 178.206 176.870 -0.011 0.000 1.137 196 L CA 0.300 55.135 54.840 -0.009 0.000 0.901 196 L CB -0.268 41.785 42.059 -0.009 0.000 1.098 196 L HN 0.554 nan 8.230 nan 0.000 0.456 197 G N 0.898 109.691 108.800 -0.011 0.000 2.356 197 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.296 197 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.296 197 G C -0.095 174.796 174.900 -0.015 0.000 1.022 197 G CA 0.374 45.467 45.100 -0.012 0.000 0.961 197 G HN 0.159 nan 8.290 nan 0.000 0.510 198 V N -0.419 119.484 119.914 -0.020 0.000 2.815 198 V HA 0.692 4.811 4.120 -0.002 0.000 0.314 198 V C 0.657 176.733 176.094 -0.030 0.000 1.064 198 V CA -0.495 61.789 62.300 -0.026 0.000 0.952 198 V CB 2.136 33.940 31.823 -0.031 0.000 1.020 198 V HN 0.312 nan 8.190 nan 0.000 0.439 199 T N 5.307 119.839 114.554 -0.035 0.000 2.743 199 T HA 0.410 4.759 4.350 -0.002 0.000 0.293 199 T C -2.425 172.241 174.700 -0.056 0.000 0.945 199 T CA -0.781 61.297 62.100 -0.038 0.000 1.030 199 T CB 1.108 69.956 68.868 -0.032 0.000 0.912 199 T HN 0.521 nan 8.240 nan 0.000 0.483 200 P HA 0.386 nan 4.420 nan 0.000 0.282 200 P C -0.804 176.438 177.300 -0.097 0.000 1.249 200 P CA -0.858 62.196 63.100 -0.077 0.000 0.806 200 P CB 0.897 32.561 31.700 -0.060 0.000 0.984 201 R N 2.081 122.481 120.500 -0.166 0.000 2.295 201 R HA 0.627 4.966 4.340 -0.002 0.000 0.324 201 R C -0.332 175.905 176.300 -0.105 0.000 0.968 201 R CA -0.633 55.344 56.100 -0.205 0.000 0.837 201 R CB 0.814 30.777 30.300 -0.561 0.000 1.133 201 R HN 0.412 nan 8.270 nan 0.000 0.450 202 L N 1.889 123.126 121.223 0.023 0.000 2.329 202 L HA 0.669 5.008 4.340 -0.002 0.000 0.279 202 L C 0.515 177.476 176.870 0.152 0.000 1.014 202 L CA -0.814 54.060 54.840 0.057 0.000 0.814 202 L CB 2.161 44.236 42.059 0.026 0.000 1.257 202 L HN 0.785 nan 8.230 nan 0.000 0.424 203 G N 2.548 111.417 108.800 0.115 0.000 2.644 203 G HA2 0.821 4.780 3.960 -0.002 0.000 0.307 203 G HA3 0.821 4.780 3.960 -0.002 0.000 0.307 203 G C -1.093 173.829 174.900 0.037 0.000 1.250 203 G CA -0.528 44.628 45.100 0.093 0.000 0.996 203 G HN 0.422 nan 8.290 nan 0.000 0.489 204 I N -0.091 120.510 120.570 0.051 0.000 2.569 204 I HA 0.373 4.541 4.170 -0.002 0.000 0.290 204 I C -0.175 175.969 176.117 0.045 0.000 1.088 204 I CA -0.778 60.542 61.300 0.033 0.000 1.047 204 I CB 2.643 40.679 38.000 0.060 0.000 1.237 204 I HN 0.413 nan 8.210 nan 0.000 0.421 205 R N 6.864 127.376 120.500 0.019 0.000 2.308 205 R HA 0.600 4.938 4.340 -0.002 0.000 0.305 205 R C -0.724 175.592 176.300 0.027 0.000 1.053 205 R CA -0.372 55.770 56.100 0.070 0.000 0.957 205 R CB 0.853 31.190 30.300 0.061 0.000 1.022 205 R HN 0.648 nan 8.270 nan 0.000 0.461 206 I N 0.355 120.907 120.570 -0.031 0.000 2.607 206 I HA 0.530 4.699 4.170 -0.002 0.000 0.305 206 I C -0.527 175.490 176.117 -0.168 0.000 0.995 206 I CA -1.221 59.944 61.300 -0.224 0.000 1.148 206 I CB 1.931 39.536 38.000 -0.658 0.000 1.323 206 I HN 0.488 nan 8.210 nan 0.000 0.461 207 R N 4.693 125.102 120.500 -0.151 0.000 2.254 207 R HA 0.628 4.966 4.340 -0.002 0.000 0.318 207 R C -0.998 175.307 176.300 0.009 0.000 1.031 207 R CA -0.602 55.492 56.100 -0.009 0.000 0.905 207 R CB 1.402 31.756 30.300 0.089 0.000 1.050 207 R HN 0.585 nan 8.270 nan 0.000 0.456 208 L N 1.546 122.794 121.223 0.042 0.000 2.334 208 L HA 0.434 4.772 4.340 -0.002 0.000 0.275 208 L C 0.913 177.890 176.870 0.179 0.000 1.036 208 L CA -0.389 54.494 54.840 0.071 0.000 0.807 208 L CB 1.800 43.843 42.059 -0.027 0.000 1.231 208 L HN 0.750 nan 8.230 nan 0.000 0.438 209 A N 0.310 123.251 122.820 0.201 0.000 2.267 209 A HA 0.016 4.335 4.320 -0.002 0.000 0.213 209 A C 1.667 179.328 177.584 0.129 0.000 1.192 209 A CA 0.644 52.808 52.037 0.210 0.000 0.851 209 A CB -0.139 18.949 19.000 0.146 0.000 0.881 209 A HN 0.758 nan 8.150 nan 0.000 0.494 210 S N -0.999 114.752 115.700 0.085 0.000 2.575 210 S HA 0.070 4.539 4.470 -0.002 0.000 0.215 210 S C 0.804 175.431 174.600 0.044 0.000 0.966 210 S CA 0.005 58.236 58.200 0.052 0.000 0.911 210 S CB 0.068 63.284 63.200 0.026 0.000 0.780 210 S HN 0.427 nan 8.310 nan 0.000 0.514 211 Q N 1.131 120.963 119.800 0.054 0.000 2.155 211 Q HA 0.448 4.787 4.340 -0.002 0.000 0.220 211 Q C 0.522 176.551 176.000 0.048 0.000 0.819 211 Q CA 0.313 56.142 55.803 0.044 0.000 1.032 211 Q CB 0.974 29.734 28.738 0.036 0.000 1.151 211 Q HN 0.649 nan 8.270 nan 0.000 0.487 212 G N 0.543 109.381 108.800 0.064 0.000 2.379 212 G HA2 0.227 4.186 3.960 -0.002 0.000 0.609 212 G HA3 0.227 4.186 3.960 -0.002 0.000 0.609 212 G C -0.982 173.972 174.900 0.091 0.000 1.484 212 G CA -0.597 44.539 45.100 0.061 0.000 0.921 212 G HN 0.237 nan 8.290 nan 0.000 0.658 213 A N 0.012 122.885 122.820 0.088 0.000 2.531 213 A HA 0.639 4.958 4.320 -0.002 0.000 0.236 213 A C 2.029 179.665 177.584 0.086 0.000 1.062 213 A CA 2.321 54.433 52.037 0.126 0.000 0.760 213 A CB 0.016 19.073 19.000 0.094 0.000 0.995 213 A HN 2.978 nan 8.150 nan 0.000 0.501 214 G N 1.508 110.373 108.800 0.109 0.000 2.245 214 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.264 214 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.264 214 G C 1.030 175.725 174.900 -0.341 0.000 0.985 214 G CA 0.978 45.957 45.100 -0.200 0.000 0.625 214 G HN 0.834 nan 8.290 nan 0.000 0.536 215 K N 0.008 120.351 120.400 -0.095 0.000 2.209 215 K HA -0.056 4.263 4.320 -0.002 0.000 0.204 215 K C 2.300 178.871 176.600 -0.047 0.000 1.048 215 K CA 1.517 57.766 56.287 -0.063 0.000 0.940 215 K CB -0.293 32.223 32.500 0.026 0.000 0.729 215 K HN 0.839 nan 8.250 nan 0.000 0.451 216 W N 2.138 123.463 121.300 0.041 0.000 2.468 216 W HA -0.079 4.581 4.660 -0.001 0.000 0.262 216 W C 0.367 176.922 176.519 0.060 0.000 1.241 216 W CA 0.083 57.465 57.345 0.062 0.000 1.232 216 W CB -0.512 28.993 29.460 0.075 0.000 1.124 216 W HN 0.033 nan 8.180 nan 0.000 0.597 217 Q N 0.705 119.987 119.800 -0.864 0.000 2.256 217 Q HA 0.442 4.781 4.340 -0.002 0.000 0.257 217 Q C 0.946 176.721 176.000 -0.376 0.000 0.936 217 Q CA 0.193 55.431 55.803 -0.941 0.000 0.903 217 Q CB 2.198 29.988 28.738 -1.581 0.000 1.263 217 Q HN 0.011 nan 8.270 nan 0.000 0.440 218 A N 2.940 125.650 122.820 -0.183 0.000 1.903 218 A HA -0.004 4.315 4.320 -0.002 0.000 0.213 218 A C 1.052 178.574 177.584 -0.104 0.000 1.185 218 A CA 1.167 53.151 52.037 -0.089 0.000 0.628 218 A CB -0.366 18.628 19.000 -0.009 0.000 0.830 218 A HN 0.810 nan 8.150 nan 0.000 0.446 219 S N -1.491 114.144 115.700 -0.109 0.000 2.596 219 S HA 0.548 5.017 4.470 -0.002 0.000 0.262 219 S C 0.812 175.326 174.600 -0.144 0.000 1.218 219 S CA 0.034 58.179 58.200 -0.093 0.000 0.998 219 S CB -0.073 63.094 63.200 -0.056 0.000 1.060 219 S HN 2.184 nan 8.310 nan 0.000 0.552 220 G N -1.065 107.670 108.800 -0.109 0.000 2.756 220 G HA2 0.219 4.178 3.960 -0.002 0.000 0.678 220 G HA3 0.219 4.178 3.960 -0.002 0.000 0.678 220 G C 0.388 175.225 174.900 -0.105 0.000 1.349 220 G CA -0.166 44.863 45.100 -0.117 0.000 0.847 220 G HN 1.605 nan 8.290 nan 0.000 0.548 221 G N -0.795 107.951 108.800 -0.091 0.000 3.088 221 G HA2 0.388 4.347 3.960 -0.002 0.000 0.217 221 G HA3 0.388 4.347 3.960 -0.002 0.000 0.217 221 G C 0.547 175.401 174.900 -0.078 0.000 1.159 221 G CA 1.007 46.064 45.100 -0.072 0.000 0.760 221 G HN 0.733 nan 8.290 nan 0.000 0.550 222 E N 1.276 121.415 120.200 -0.101 0.000 2.338 222 E HA 0.121 4.470 4.350 -0.002 0.000 0.272 222 E C 0.234 176.776 176.600 -0.096 0.000 1.029 222 E CA -0.343 56.001 56.400 -0.094 0.000 0.872 222 E CB 0.738 30.372 29.700 -0.110 0.000 1.015 222 E HN -0.011 nan 8.360 nan 0.000 0.417 223 K N 2.266 122.618 120.400 -0.079 0.000 2.627 223 K HA 0.140 4.459 4.320 -0.002 0.000 0.212 223 K C -0.159 176.387 176.600 -0.090 0.000 1.041 223 K CA -0.092 56.145 56.287 -0.084 0.000 1.205 223 K CB -0.019 32.440 32.500 -0.068 0.000 0.936 223 K HN 0.120 nan 8.250 nan 0.000 0.489 224 S N 1.635 117.282 115.700 -0.088 0.000 2.422 224 S HA 0.151 4.620 4.470 -0.002 0.000 0.283 224 S C 1.112 175.628 174.600 -0.140 0.000 1.163 224 S CA -0.279 57.874 58.200 -0.078 0.000 1.054 224 S CB 0.943 64.120 63.200 -0.038 0.000 0.967 224 S HN 0.205 nan 8.310 nan 0.000 0.499 225 K N 2.022 122.269 120.400 -0.254 0.000 2.057 225 K HA -0.005 4.314 4.320 -0.002 0.000 0.206 225 K C -0.298 175.994 176.600 -0.512 0.000 1.050 225 K CA 1.129 57.087 56.287 -0.547 0.000 0.935 225 K CB 0.007 31.849 32.500 -1.096 0.000 0.715 225 K HN 0.420 nan 8.250 nan 0.000 0.439 226 F N -0.219 119.755 119.950 0.041 0.000 2.522 226 F HA 0.574 5.100 4.527 -0.002 0.000 0.324 226 F C 0.526 176.339 175.800 0.022 0.000 1.077 226 F CA -0.803 57.214 58.000 0.028 0.000 0.944 226 F CB 2.293 41.309 39.000 0.027 0.000 1.175 226 F HN 0.175 nan 8.300 nan 0.000 0.468 227 G N 1.463 110.404 108.800 0.235 0.000 2.375 227 G HA2 0.168 4.127 3.960 -0.002 0.000 0.663 227 G HA3 0.168 4.127 3.960 -0.002 0.000 0.663 227 G C -2.166 172.784 174.900 0.083 0.000 1.391 227 G CA -1.296 43.879 45.100 0.126 0.000 0.949 227 G HN 0.607 nan 8.290 nan 0.000 0.646 228 L N 1.149 122.409 121.223 0.062 0.000 2.334 228 L HA 0.669 5.008 4.340 -0.002 0.000 0.275 228 L C 1.419 178.350 176.870 0.102 0.000 1.036 228 L CA -0.595 54.288 54.840 0.073 0.000 0.807 228 L CB 1.678 43.780 42.059 0.071 0.000 1.231 228 L HN 0.964 nan 8.230 nan 0.000 0.438 229 S N 1.173 116.954 115.700 0.135 0.000 2.645 229 S HA 0.342 4.811 4.470 -0.002 0.000 0.266 229 S C 1.167 175.931 174.600 0.272 0.000 1.258 229 S CA -0.009 58.323 58.200 0.221 0.000 0.990 229 S CB 1.557 64.896 63.200 0.231 0.000 0.967 229 S HN 0.708 nan 8.310 nan 0.000 0.556 230 A N 1.250 124.284 122.820 0.355 0.000 1.892 230 A HA -0.106 4.213 4.320 -0.002 0.000 0.218 230 A C 2.480 180.181 177.584 0.195 0.000 1.188 230 A CA 2.408 54.638 52.037 0.322 0.000 0.631 230 A CB -1.671 17.444 19.000 0.192 0.000 0.822 230 A HN 1.087 nan 8.150 nan 0.000 0.447 231 S N -1.112 114.688 115.700 0.166 0.000 2.406 231 S HA -0.172 4.297 4.470 -0.002 0.000 0.228 231 S C 2.075 176.740 174.600 0.108 0.000 1.020 231 S CA 1.436 59.706 58.200 0.117 0.000 0.965 231 S CB -0.358 62.912 63.200 0.117 0.000 0.798 231 S HN 0.680 nan 8.310 nan 0.000 0.488 232 Q N 0.219 120.093 119.800 0.123 0.000 2.123 232 Q HA -0.026 4.313 4.340 -0.002 0.000 0.199 232 Q C 2.272 178.330 176.000 0.098 0.000 0.966 232 Q CA 1.523 57.384 55.803 0.097 0.000 0.845 232 Q CB -0.300 28.491 28.738 0.090 0.000 0.907 232 Q HN 0.441 nan 8.270 nan 0.000 0.439 233 V N 1.422 121.418 119.914 0.136 0.000 2.278 233 V HA -0.304 3.815 4.120 -0.002 0.000 0.251 233 V C 2.154 178.313 176.094 0.109 0.000 1.062 233 V CA 1.793 64.182 62.300 0.148 0.000 1.038 233 V CB -0.550 31.428 31.823 0.257 0.000 0.646 233 V HN 0.374 nan 8.190 nan 0.000 0.447 234 L N -0.201 121.080 121.223 0.097 0.000 2.156 234 L HA -0.092 4.247 4.340 -0.002 0.000 0.208 234 L C 2.380 179.282 176.870 0.053 0.000 1.095 234 L CA 1.083 55.962 54.840 0.065 0.000 0.770 234 L CB -0.761 41.329 42.059 0.051 0.000 0.914 234 L HN 0.356 nan 8.230 nan 0.000 0.439 235 N N 0.014 118.747 118.700 0.055 0.000 2.149 235 N HA -0.153 4.586 4.740 -0.002 0.000 0.188 235 N C 1.864 177.397 175.510 0.038 0.000 1.019 235 N CA 1.053 54.129 53.050 0.043 0.000 0.857 235 N CB -0.448 38.066 38.487 0.044 0.000 0.997 235 N HN 0.093 nan 8.380 nan 0.000 0.426 236 V N 1.536 121.477 119.914 0.045 0.000 2.358 236 V HA -0.137 3.982 4.120 -0.002 0.000 0.246 236 V C 2.220 178.336 176.094 0.036 0.000 1.047 236 V CA 0.968 63.291 62.300 0.038 0.000 1.035 236 V CB -0.275 31.574 31.823 0.043 0.000 0.658 236 V HN 0.220 nan 8.190 nan 0.000 0.452 237 I N 0.054 120.649 120.570 0.042 0.000 2.179 237 I HA -0.198 3.971 4.170 -0.002 0.000 0.242 237 I C 2.607 178.740 176.117 0.027 0.000 1.088 237 I CA 1.664 62.986 61.300 0.036 0.000 1.357 237 I CB -1.336 36.687 38.000 0.038 0.000 1.051 237 I HN 0.300 nan 8.210 nan 0.000 0.409 238 S N 0.624 116.340 115.700 0.026 0.000 2.365 238 S HA -0.255 4.214 4.470 -0.002 0.000 0.225 238 S C 2.087 176.698 174.600 0.018 0.000 1.039 238 S CA 1.825 60.038 58.200 0.021 0.000 1.033 238 S CB -0.350 62.862 63.200 0.021 0.000 0.887 238 S HN 0.318 nan 8.310 nan 0.000 0.447 239 R N 1.510 122.021 120.500 0.019 0.000 2.070 239 R HA 0.036 4.374 4.340 -0.002 0.000 0.233 239 R C 2.077 178.384 176.300 0.013 0.000 1.137 239 R CA 1.442 57.551 56.100 0.015 0.000 0.945 239 R CB -0.919 29.389 30.300 0.013 0.000 0.845 239 R HN 0.414 nan 8.270 nan 0.000 0.430 240 L N 0.354 121.586 121.223 0.015 0.000 2.042 240 L HA -0.191 4.148 4.340 -0.002 0.000 0.210 240 L C 2.441 179.319 176.870 0.013 0.000 1.076 240 L CA 1.788 56.636 54.840 0.014 0.000 0.749 240 L CB -0.483 41.588 42.059 0.019 0.000 0.893 240 L HN 0.216 nan 8.230 nan 0.000 0.432 241 K N 0.204 120.613 120.400 0.014 0.000 2.057 241 K HA -0.206 4.112 4.320 -0.002 0.000 0.207 241 K C 2.200 178.806 176.600 0.010 0.000 1.049 241 K CA 1.332 57.626 56.287 0.013 0.000 0.931 241 K CB -0.073 32.435 32.500 0.013 0.000 0.714 241 K HN 0.063 nan 8.250 nan 0.000 0.440 242 K N 0.955 121.361 120.400 0.010 0.000 2.032 242 K HA -0.142 4.177 4.320 -0.002 0.000 0.209 242 K C 1.713 178.317 176.600 0.007 0.000 1.048 242 K CA 1.412 57.704 56.287 0.008 0.000 0.927 242 K CB 0.149 32.654 32.500 0.009 0.000 0.712 242 K HN 0.050 nan 8.250 nan 0.000 0.441 243 E N -0.106 120.098 120.200 0.007 0.000 2.478 243 E HA 0.000 4.349 4.350 -0.002 0.000 0.194 243 E C -0.399 176.204 176.600 0.005 0.000 1.045 243 E CA 0.131 56.534 56.400 0.005 0.000 0.868 243 E CB -0.071 29.631 29.700 0.003 0.000 0.885 243 E HN 0.276 nan 8.360 nan 0.000 0.505 244 N N 0.879 119.583 118.700 0.007 0.000 2.746 244 N HA -0.193 4.546 4.740 -0.002 0.000 0.250 244 N C -0.287 175.227 175.510 0.008 0.000 1.055 244 N CA 0.483 53.537 53.050 0.007 0.000 0.699 244 N CB -0.743 37.747 38.487 0.006 0.000 0.919 244 N HN 0.129 nan 8.380 nan 0.000 0.548 245 Q N -0.586 119.220 119.800 0.010 0.000 2.023 245 Q HA 0.187 4.526 4.340 -0.002 0.000 0.221 245 Q C 0.834 176.843 176.000 0.016 0.000 0.806 245 Q CA -0.427 55.382 55.803 0.010 0.000 1.052 245 Q CB 0.454 29.195 28.738 0.005 0.000 1.229 245 Q HN 0.331 nan 8.270 nan 0.000 0.440 246 L N 2.219 123.454 121.223 0.019 0.000 2.043 246 L HA -0.232 4.106 4.340 -0.002 0.000 0.212 246 L C 1.929 178.819 176.870 0.034 0.000 1.075 246 L CA 2.401 57.256 54.840 0.025 0.000 0.752 246 L CB -0.247 41.825 42.059 0.021 0.000 0.891 246 L HN 0.408 nan 8.230 nan 0.000 0.432 247 D N -2.349 118.070 120.400 0.031 0.000 2.263 247 D HA -0.219 4.420 4.640 -0.002 0.000 0.208 247 D C 1.695 178.024 176.300 0.050 0.000 0.971 247 D CA 1.421 55.446 54.000 0.042 0.000 0.867 247 D CB -0.549 40.272 40.800 0.034 0.000 0.929 247 D HN 0.549 nan 8.370 nan 0.000 0.492 248 T N -0.691 113.884 114.554 0.035 0.000 2.977 248 T HA -0.131 4.218 4.350 -0.002 0.000 0.271 248 T C 1.007 175.743 174.700 0.059 0.000 1.105 248 T CA -0.017 62.101 62.100 0.029 0.000 1.116 248 T CB -0.376 68.496 68.868 0.007 0.000 0.878 248 T HN 0.080 nan 8.240 nan 0.000 0.509 249 L N 1.475 122.744 121.223 0.077 0.000 2.268 249 L HA 0.457 4.795 4.340 -0.002 0.000 0.289 249 L C 0.792 177.759 176.870 0.161 0.000 1.064 249 L CA 0.047 54.950 54.840 0.106 0.000 0.824 249 L CB 0.870 42.977 42.059 0.081 0.000 1.202 249 L HN 0.101 nan 8.230 nan 0.000 0.433 250 Q N 3.666 123.609 119.800 0.239 0.000 2.288 250 Q HA 0.374 4.713 4.340 -0.002 0.000 0.256 250 Q C -0.636 175.597 176.000 0.388 0.000 0.835 250 Q CA -0.044 55.971 55.803 0.353 0.000 0.958 250 Q CB 1.122 30.164 28.738 0.507 0.000 1.125 250 Q HN 0.657 nan 8.270 nan 0.000 0.513 251 L N 0.736 122.130 121.223 0.284 0.000 2.408 251 L HA 0.583 4.922 4.340 -0.002 0.000 0.268 251 L C -1.479 175.493 176.870 0.170 0.000 0.986 251 L CA -0.914 54.037 54.840 0.185 0.000 0.820 251 L CB 2.067 44.088 42.059 -0.063 0.000 1.303 251 L HN -0.258 nan 8.230 nan 0.000 0.411 252 V N 3.458 123.485 119.914 0.188 0.000 2.459 252 V HA 0.448 4.567 4.120 -0.002 0.000 0.295 252 V C -1.106 174.998 176.094 0.018 0.000 1.029 252 V CA -0.438 61.953 62.300 0.151 0.000 0.874 252 V CB 1.666 33.657 31.823 0.280 0.000 0.985 252 V HN 0.811 nan 8.190 nan 0.000 0.438 253 H N 4.953 123.975 119.070 -0.080 0.000 2.667 253 H HA 0.717 5.271 4.556 -0.002 0.000 0.353 253 H C -1.120 174.186 175.328 -0.036 0.000 1.072 253 H CA -0.645 55.314 56.048 -0.147 0.000 1.214 253 H CB 1.558 31.240 29.762 -0.132 0.000 1.600 253 H HN 0.553 nan 8.280 nan 0.000 0.527 254 F N 2.099 121.747 119.950 -0.503 0.000 2.613 254 F HA 0.542 5.068 4.527 -0.002 0.000 0.314 254 F C -1.627 174.054 175.800 -0.197 0.000 1.075 254 F CA -1.090 56.780 58.000 -0.218 0.000 0.945 254 F CB 1.598 40.472 39.000 -0.210 0.000 1.310 254 F HN 0.595 nan 8.300 nan 0.000 0.467 255 H N 2.323 121.417 119.070 0.039 0.000 2.840 255 H HA 0.498 5.053 4.556 -0.002 0.000 0.340 255 H C -0.668 174.758 175.328 0.162 0.000 1.004 255 H CA -0.941 55.111 56.048 0.006 0.000 1.288 255 H CB 1.682 31.508 29.762 0.106 0.000 1.607 255 H HN 0.794 nan 8.280 nan 0.000 0.522 256 L N 3.753 124.873 121.223 -0.171 0.000 2.418 256 L HA 0.359 4.698 4.340 -0.002 0.000 0.218 256 L C 0.925 177.620 176.870 -0.291 0.000 1.125 256 L CA 0.738 55.515 54.840 -0.105 0.000 0.835 256 L CB -0.207 41.885 42.059 0.055 0.000 0.953 256 L HN 0.927 nan 8.230 nan 0.000 0.454 257 G N -0.601 107.744 108.800 -0.759 0.000 2.440 257 G HA2 -0.128 3.831 3.960 -0.002 0.000 0.684 257 G HA3 -0.128 3.831 3.960 -0.002 0.000 0.684 257 G C -0.876 173.952 174.900 -0.119 0.000 1.309 257 G CA -0.412 44.459 45.100 -0.382 0.000 0.931 257 G HN -0.065 nan 8.290 nan 0.000 0.612 258 S N -0.628 115.117 115.700 0.074 0.000 2.617 258 S HA 0.508 4.977 4.470 -0.002 0.000 0.269 258 S C 0.799 175.470 174.600 0.118 0.000 1.292 258 S CA 1.356 59.654 58.200 0.165 0.000 1.010 258 S CB 1.026 64.334 63.200 0.179 0.000 0.944 258 S HN 2.177 nan 8.310 nan 0.000 0.536 259 Q N 1.736 121.631 119.800 0.158 0.000 2.453 259 Q HA -0.148 4.190 4.340 -0.002 0.000 0.330 259 Q C -1.080 174.999 176.000 0.132 0.000 1.417 259 Q CA 0.600 56.491 55.803 0.147 0.000 0.902 259 Q CB -1.284 27.531 28.738 0.127 0.000 1.154 259 Q HN 0.586 nan 8.270 nan 0.000 0.395 260 M N 1.012 120.714 119.600 0.170 0.000 2.292 260 M HA 0.243 4.721 4.480 -0.002 0.000 0.342 260 M C 1.229 177.686 176.300 0.263 0.000 1.538 260 M CA 0.802 56.215 55.300 0.187 0.000 1.163 260 M CB 0.212 32.938 32.600 0.210 0.000 1.823 260 M HN 0.499 nan 8.290 nan 0.000 0.462 261 A N 4.087 127.021 122.820 0.190 0.000 2.169 261 A HA 0.035 4.354 4.320 -0.002 0.000 0.212 261 A C 0.828 178.564 177.584 0.253 0.000 1.153 261 A CA 0.592 52.733 52.037 0.173 0.000 0.756 261 A CB -0.086 18.965 19.000 0.085 0.000 0.813 261 A HN 0.720 nan 8.150 nan 0.000 0.471 262 N N -0.305 118.550 118.700 0.257 0.000 2.483 262 N HA 0.300 5.039 4.740 -0.002 0.000 0.267 262 N C 0.251 175.852 175.510 0.152 0.000 0.998 262 N CA -0.623 52.551 53.050 0.207 0.000 0.918 262 N CB 1.044 39.599 38.487 0.113 0.000 1.215 262 N HN 0.004 nan 8.380 nan 0.000 0.500 263 I N 3.689 124.336 120.570 0.128 0.000 2.335 263 I HA -0.148 4.021 4.170 -0.002 0.000 0.251 263 I C 2.175 178.255 176.117 -0.062 0.000 1.129 263 I CA 1.331 62.550 61.300 -0.134 0.000 1.402 263 I CB -0.039 37.880 38.000 -0.134 0.000 1.069 263 I HN 0.618 nan 8.210 nan 0.000 0.424 264 R N 0.748 121.250 120.500 0.004 0.000 2.105 264 R HA -0.187 4.152 4.340 -0.002 0.000 0.239 264 R C 1.867 178.171 176.300 0.008 0.000 1.135 264 R CA 1.988 58.091 56.100 0.005 0.000 0.967 264 R CB -0.547 29.765 30.300 0.020 0.000 0.861 264 R HN 0.404 nan 8.270 nan 0.000 0.442 265 D N -0.609 119.806 120.400 0.024 0.000 2.144 265 D HA -0.108 4.530 4.640 -0.002 0.000 0.200 265 D C 1.850 178.171 176.300 0.034 0.000 0.978 265 D CA 1.408 55.428 54.000 0.033 0.000 0.833 265 D CB -0.006 40.825 40.800 0.052 0.000 0.961 265 D HN 0.144 nan 8.370 nan 0.000 0.470 266 V N 1.185 121.111 119.914 0.021 0.000 2.270 266 V HA -0.210 3.909 4.120 -0.002 0.000 0.245 266 V C 2.608 178.704 176.094 0.003 0.000 1.043 266 V CA 1.543 63.861 62.300 0.029 0.000 1.014 266 V CB -0.529 31.270 31.823 -0.039 0.000 0.645 266 V HN 0.106 nan 8.190 nan 0.000 0.447 267 R N 0.509 120.985 120.500 -0.039 0.000 2.091 267 R HA -0.213 4.126 4.340 -0.002 0.000 0.238 267 R C 2.215 178.509 176.300 -0.011 0.000 1.136 267 R CA 2.132 58.213 56.100 -0.032 0.000 0.959 267 R CB -0.322 29.954 30.300 -0.040 0.000 0.856 267 R HN 0.553 nan 8.270 nan 0.000 0.437 268 N N -0.154 118.542 118.700 -0.007 0.000 2.120 268 N HA -0.112 4.627 4.740 -0.002 0.000 0.188 268 N C 1.713 177.198 175.510 -0.041 0.000 1.024 268 N CA 1.526 54.571 53.050 -0.008 0.000 0.852 268 N CB -0.725 37.764 38.487 0.003 0.000 1.003 268 N HN 0.419 nan 8.380 nan 0.000 0.424 269 G N 0.951 109.714 108.800 -0.063 0.000 2.421 269 G HA2 -0.174 3.785 3.960 -0.002 0.000 0.216 269 G HA3 -0.174 3.785 3.960 -0.002 0.000 0.216 269 G C 1.730 176.386 174.900 -0.407 0.000 1.171 269 G CA 0.828 45.793 45.100 -0.226 0.000 0.775 269 G HN 0.194 nan 8.290 nan 0.000 0.543 270 V N 1.575 121.424 119.914 -0.108 0.000 2.295 270 V HA -0.241 3.878 4.120 -0.002 0.000 0.246 270 V C 2.684 178.815 176.094 0.061 0.000 1.049 270 V CA 1.933 64.278 62.300 0.076 0.000 1.024 270 V CB -0.521 31.426 31.823 0.206 0.000 0.648 270 V HN 0.490 nan 8.190 nan 0.000 0.447 271 N N 0.237 118.949 118.700 0.019 0.000 2.043 271 N HA -0.266 4.473 4.740 -0.002 0.000 0.193 271 N C 2.046 177.595 175.510 0.065 0.000 1.037 271 N CA 2.249 55.324 53.050 0.042 0.000 0.851 271 N CB -0.072 38.433 38.487 0.030 0.000 1.027 271 N HN 0.672 nan 8.380 nan 0.000 0.422 272 E N -0.090 120.124 120.200 0.023 0.000 2.077 272 E HA -0.095 4.254 4.350 -0.002 0.000 0.193 272 E C 1.776 178.474 176.600 0.165 0.000 0.989 272 E CA 1.334 57.784 56.400 0.084 0.000 0.800 272 E CB 0.082 29.813 29.700 0.052 0.000 0.746 272 E HN 0.364 nan 8.360 nan 0.000 0.452 273 S N 0.545 116.233 115.700 -0.020 0.000 2.406 273 S HA -0.051 4.418 4.470 -0.002 0.000 0.228 273 S C 2.046 176.925 174.600 0.464 0.000 1.020 273 S CA 0.688 58.922 58.200 0.056 0.000 0.965 273 S CB -0.043 62.880 63.200 -0.463 0.000 0.798 273 S HN 0.431 nan 8.310 nan 0.000 0.488 274 A N 2.325 125.396 122.820 0.418 0.000 1.940 274 A HA -0.142 4.177 4.320 -0.002 0.000 0.219 274 A C 2.201 179.910 177.584 0.209 0.000 1.176 274 A CA 1.386 53.571 52.037 0.247 0.000 0.631 274 A CB -0.446 18.557 19.000 0.005 0.000 0.814 274 A HN 0.436 nan 8.150 nan 0.000 0.446 275 R N -1.972 118.637 120.500 0.182 0.000 2.075 275 R HA -0.031 4.308 4.340 -0.002 0.000 0.232 275 R C 1.871 178.204 176.300 0.057 0.000 1.126 275 R CA 1.440 57.587 56.100 0.078 0.000 0.963 275 R CB -0.466 29.924 30.300 0.150 0.000 0.858 275 R HN 0.527 nan 8.270 nan 0.000 0.435 276 F N -0.099 119.895 119.950 0.072 0.000 2.069 276 F HA -0.293 4.233 4.527 -0.002 0.000 0.298 276 F C 2.352 178.201 175.800 0.082 0.000 1.113 276 F CA 1.783 59.829 58.000 0.077 0.000 1.214 276 F CB -0.659 38.406 39.000 0.108 0.000 0.978 276 F HN 0.020 nan 8.300 nan 0.000 0.474 277 Y N 0.052 120.523 120.300 0.285 0.000 2.069 277 Y HA -0.391 4.158 4.550 -0.002 0.000 0.278 277 Y C 2.499 178.394 175.900 -0.008 0.000 1.175 277 Y CA 1.809 60.022 58.100 0.188 0.000 1.134 277 Y CB -1.042 37.591 38.460 0.288 0.000 0.965 277 Y HN 0.108 nan 8.280 nan 0.000 0.498 278 C N 0.801 119.988 119.300 -0.188 0.000 2.446 278 C HA -0.137 4.322 4.460 -0.002 0.000 0.277 278 C C 2.625 177.360 174.990 -0.425 0.000 1.275 278 C CA 1.083 59.785 59.018 -0.526 0.000 1.727 278 C CB -0.981 26.091 27.740 -1.114 0.000 2.010 278 C HN 0.608 nan 8.230 nan 0.000 0.486 279 E N 1.019 121.033 120.200 -0.309 0.000 2.058 279 E HA -0.172 4.177 4.350 -0.002 0.000 0.194 279 E C 2.096 178.639 176.600 -0.095 0.000 0.997 279 E CA 1.142 57.466 56.400 -0.126 0.000 0.801 279 E CB -0.593 29.045 29.700 -0.103 0.000 0.746 279 E HN 0.649 nan 8.360 nan 0.000 0.450 280 L N 0.369 121.544 121.223 -0.080 0.000 2.079 280 L HA -0.195 4.144 4.340 -0.002 0.000 0.210 280 L C 2.672 179.478 176.870 -0.107 0.000 1.081 280 L CA 1.218 56.027 54.840 -0.052 0.000 0.752 280 L CB -0.347 41.716 42.059 0.006 0.000 0.896 280 L HN 0.053 nan 8.230 nan 0.000 0.433 281 R N -0.814 119.557 120.500 -0.215 0.000 2.115 281 R HA -0.093 4.246 4.340 -0.002 0.000 0.230 281 R C 2.186 178.429 176.300 -0.095 0.000 1.111 281 R CA 1.598 57.582 56.100 -0.193 0.000 0.976 281 R CB -0.474 29.638 30.300 -0.314 0.000 0.870 281 R HN 0.309 nan 8.270 nan 0.000 0.445 282 T N 1.339 115.850 114.554 -0.071 0.000 2.929 282 T HA -0.037 4.312 4.350 -0.002 0.000 0.271 282 T C 1.474 176.168 174.700 -0.011 0.000 1.085 282 T CA 0.859 62.950 62.100 -0.014 0.000 1.125 282 T CB 0.039 68.922 68.868 0.025 0.000 0.874 282 T HN 0.165 nan 8.240 nan 0.000 0.494 283 L N -0.044 121.167 121.223 -0.020 0.000 2.628 283 L HA 0.345 4.684 4.340 -0.002 0.000 0.229 283 L C 1.893 178.760 176.870 -0.005 0.000 1.137 283 L CA 0.239 55.075 54.840 -0.007 0.000 0.909 283 L CB 0.064 42.122 42.059 -0.002 0.000 1.137 283 L HN 0.459 nan 8.230 nan 0.000 0.470 284 G N -0.298 108.494 108.800 -0.013 0.000 2.253 284 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.209 284 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.209 284 G C 0.425 175.321 174.900 -0.007 0.000 0.997 284 G CA -0.182 44.915 45.100 -0.006 0.000 0.640 284 G HN 0.397 nan 8.290 nan 0.000 0.496 285 A N 0.214 123.025 122.820 -0.014 0.000 2.440 285 A HA 0.602 4.921 4.320 -0.002 0.000 0.251 285 A C 0.370 177.946 177.584 -0.013 0.000 1.089 285 A CA 0.554 52.590 52.037 -0.002 0.000 0.779 285 A CB 0.321 19.322 19.000 0.003 0.000 1.022 285 A HN 0.582 nan 8.150 nan 0.000 0.492 286 N N 2.637 121.350 118.700 0.022 0.000 3.234 286 N HA 0.214 4.952 4.740 -0.002 0.000 0.272 286 N C -0.508 175.052 175.510 0.084 0.000 1.254 286 N CA -0.358 52.712 53.050 0.033 0.000 1.087 286 N CB -0.220 38.294 38.487 0.044 0.000 1.356 286 N HN 0.492 nan 8.380 nan 0.000 0.511 287 I N 1.108 121.722 120.570 0.074 0.000 2.496 287 I HA 0.064 4.233 4.170 -0.002 0.000 0.285 287 I C 1.111 177.393 176.117 0.274 0.000 1.080 287 I CA 0.321 61.741 61.300 0.199 0.000 1.404 287 I CB 1.024 39.153 38.000 0.215 0.000 1.403 287 I HN 0.333 nan 8.210 nan 0.000 0.539 288 T N 4.815 119.536 114.554 0.279 0.000 2.955 288 T HA 0.190 4.539 4.350 -0.002 0.000 0.251 288 T C -0.233 174.396 174.700 -0.119 0.000 1.002 288 T CA 0.390 62.533 62.100 0.072 0.000 0.970 288 T CB 0.189 69.058 68.868 0.000 0.000 1.091 288 T HN 0.368 nan 8.240 nan 0.000 0.495 289 Y N 0.181 120.571 120.300 0.151 0.000 2.462 289 Y HA 0.611 5.160 4.550 -0.002 0.000 0.346 289 Y C -1.079 174.901 175.900 0.133 0.000 0.976 289 Y CA -1.798 56.334 58.100 0.053 0.000 1.044 289 Y CB 1.721 40.086 38.460 -0.158 0.000 1.230 289 Y HN 0.070 nan 8.280 nan 0.000 0.455 290 F N 3.342 123.321 119.950 0.049 0.000 2.610 290 F HA 0.355 4.881 4.527 -0.002 0.000 0.355 290 F C -1.208 174.553 175.800 -0.064 0.000 1.140 290 F CA -0.729 57.264 58.000 -0.013 0.000 1.037 290 F CB 0.672 39.580 39.000 -0.153 0.000 1.287 290 F HN 0.423 nan 8.300 nan 0.000 0.457 291 D N 4.974 125.175 120.400 -0.331 0.000 2.373 291 D HA 0.192 4.831 4.640 -0.002 0.000 0.227 291 D C 0.720 176.495 176.300 -0.875 0.000 1.091 291 D CA -0.118 53.620 54.000 -0.437 0.000 0.840 291 D CB 1.835 42.460 40.800 -0.291 0.000 1.060 291 D HN 0.423 nan 8.370 nan 0.000 0.502 292 V N 2.153 121.596 119.914 -0.786 0.000 3.633 292 V HA 0.427 4.546 4.120 -0.002 0.000 0.283 292 V C 1.195 176.691 176.094 -0.996 0.000 1.305 292 V CA 0.624 62.185 62.300 -1.232 0.000 1.153 292 V CB -0.824 30.715 31.823 -0.473 0.000 0.950 292 V HN 0.710 nan 8.190 nan 0.000 0.432 293 G N 0.440 108.824 108.800 -0.694 0.000 2.575 293 G HA2 -0.021 3.938 3.960 -0.002 0.000 0.267 293 G HA3 -0.021 3.938 3.960 -0.002 0.000 0.267 293 G C 0.427 175.337 174.900 0.017 0.000 1.264 293 G CA 0.031 44.958 45.100 -0.288 0.000 0.935 293 G HN 1.439 nan 8.290 nan 0.000 0.568 294 G N -2.476 106.483 108.800 0.265 0.000 2.510 294 G HA2 0.649 4.608 3.960 -0.002 0.000 0.280 294 G HA3 0.649 4.608 3.960 -0.002 0.000 0.280 294 G C 1.416 176.482 174.900 0.275 0.000 1.386 294 G CA 1.330 46.609 45.100 0.299 0.000 1.047 294 G HN 2.561 nan 8.290 nan 0.000 0.527 295 G N -1.928 107.016 108.800 0.240 0.000 2.352 295 G HA2 -0.102 3.857 3.960 -0.002 0.000 0.204 295 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.204 295 G C 0.428 175.426 174.900 0.163 0.000 1.004 295 G CA 0.280 45.497 45.100 0.194 0.000 0.648 295 G HN 1.337 nan 8.290 nan 0.000 0.491 296 L N 2.909 124.155 121.223 0.038 0.000 2.597 296 L HA 0.687 5.026 4.340 -0.002 0.000 0.271 296 L C 0.890 177.758 176.870 -0.003 0.000 1.157 296 L CA 0.353 55.065 54.840 -0.214 0.000 0.928 296 L CB -0.013 41.725 42.059 -0.536 0.000 1.216 296 L HN 0.935 nan 8.230 nan 0.000 0.481 297 A N 6.098 128.949 122.820 0.052 0.000 2.287 297 A HA 0.605 4.924 4.320 -0.002 0.000 0.273 297 A C -0.158 177.413 177.584 -0.021 0.000 1.091 297 A CA -0.550 51.517 52.037 0.050 0.000 0.817 297 A CB 0.353 19.367 19.000 0.024 0.000 1.069 297 A HN 0.669 nan 8.150 nan 0.000 0.492 298 I N 0.712 121.272 120.570 -0.015 0.000 2.530 298 I HA 0.205 4.374 4.170 -0.002 0.000 0.297 298 I C -0.647 175.332 176.117 -0.229 0.000 1.011 298 I CA -0.321 60.875 61.300 -0.174 0.000 1.107 298 I CB 1.778 39.518 38.000 -0.435 0.000 1.285 298 I HN 0.641 nan 8.210 nan 0.000 0.436 299 D N 5.137 125.437 120.400 -0.167 0.000 2.517 299 D HA 0.089 4.728 4.640 -0.002 0.000 0.220 299 D C 0.874 177.123 176.300 -0.084 0.000 1.158 299 D CA -0.082 53.873 54.000 -0.075 0.000 0.992 299 D CB 0.082 40.876 40.800 -0.010 0.000 1.058 299 D HN 0.269 nan 8.370 nan 0.000 0.516 300 Y N 0.824 121.102 120.300 -0.037 0.000 2.256 300 Y HA -0.170 4.378 4.550 -0.002 0.000 0.288 300 Y C 1.857 177.668 175.900 -0.147 0.000 1.155 300 Y CA 1.378 59.401 58.100 -0.129 0.000 1.203 300 Y CB 0.073 38.381 38.460 -0.254 0.000 0.980 300 Y HN 0.362 nan 8.280 nan 0.000 0.530 301 D N -2.814 117.628 120.400 0.070 0.000 2.433 301 D HA 0.190 4.829 4.640 -0.002 0.000 0.211 301 D C 1.684 178.066 176.300 0.136 0.000 1.114 301 D CA 0.519 54.547 54.000 0.046 0.000 0.837 301 D CB -0.033 40.778 40.800 0.017 0.000 0.984 301 D HN 0.191 nan 8.370 nan 0.000 0.505 302 G N 0.646 109.552 108.800 0.177 0.000 2.175 302 G HA2 -0.376 3.583 3.960 -0.002 0.000 0.265 302 G HA3 -0.376 3.583 3.960 -0.002 0.000 0.265 302 G C 1.173 176.096 174.900 0.039 0.000 0.979 302 G CA 1.200 46.424 45.100 0.208 0.000 0.663 302 G HN 0.646 nan 8.290 nan 0.000 0.533 303 T N -2.455 112.105 114.554 0.009 0.000 3.088 303 T HA 0.237 4.586 4.350 -0.002 0.000 0.259 303 T C 1.185 175.837 174.700 -0.079 0.000 1.122 303 T CA 1.053 63.124 62.100 -0.049 0.000 1.095 303 T CB 0.018 68.873 68.868 -0.020 0.000 0.930 303 T HN 0.966 nan 8.240 nan 0.000 0.508 304 R N 1.417 121.877 120.500 -0.067 0.000 3.188 304 R HA -0.169 4.170 4.340 -0.002 0.000 0.247 304 R C -0.623 175.642 176.300 -0.057 0.000 0.918 304 R CA 0.771 56.824 56.100 -0.078 0.000 0.629 304 R CB -1.749 28.494 30.300 -0.095 0.000 1.087 304 R HN 0.793 nan 8.270 nan 0.000 0.462 305 S N -0.748 114.928 115.700 -0.041 0.000 2.599 305 S HA 0.246 4.715 4.470 -0.002 0.000 0.287 305 S C -0.195 174.402 174.600 -0.004 0.000 1.105 305 S CA -0.942 57.245 58.200 -0.020 0.000 0.899 305 S CB 2.087 65.275 63.200 -0.020 0.000 1.100 305 S HN 0.384 nan 8.310 nan 0.000 0.482 306 Q N 1.910 121.718 119.800 0.014 0.000 2.815 306 Q HA 0.413 4.751 4.340 -0.002 0.000 0.235 306 Q C -0.337 175.675 176.000 0.019 0.000 1.354 306 Q CA -0.084 55.739 55.803 0.032 0.000 0.953 306 Q CB -0.455 28.307 28.738 0.039 0.000 1.613 306 Q HN 0.813 nan 8.270 nan 0.000 0.572 307 S N -0.538 115.170 115.700 0.014 0.000 2.615 307 S HA 0.254 4.723 4.470 -0.002 0.000 0.269 307 S C 0.552 175.151 174.600 -0.002 0.000 1.161 307 S CA -0.175 58.025 58.200 0.000 0.000 0.817 307 S CB 0.973 64.166 63.200 -0.011 0.000 1.131 307 S HN 0.426 nan 8.310 nan 0.000 0.467 308 S N 0.915 116.602 115.700 -0.022 0.000 2.428 308 S HA -0.055 4.414 4.470 -0.002 0.000 0.230 308 S C 0.793 175.370 174.600 -0.037 0.000 1.014 308 S CA 1.177 59.358 58.200 -0.031 0.000 0.957 308 S CB -1.081 62.084 63.200 -0.058 0.000 0.784 308 S HN 0.775 nan 8.310 nan 0.000 0.499 309 N N 0.914 119.586 118.700 -0.047 0.000 2.314 309 N HA 0.319 5.058 4.740 -0.002 0.000 0.200 309 N C 0.079 175.642 175.510 0.089 0.000 1.135 309 N CA 0.039 53.067 53.050 -0.036 0.000 0.835 309 N CB 0.493 38.914 38.487 -0.109 0.000 0.989 309 N HN 0.349 nan 8.380 nan 0.000 0.478 310 S N -0.154 115.580 115.700 0.056 0.000 2.800 310 S HA 0.694 5.163 4.470 -0.002 0.000 0.293 310 S C -2.038 172.550 174.600 -0.020 0.000 1.209 310 S CA -0.801 57.414 58.200 0.025 0.000 0.884 310 S CB 0.925 64.128 63.200 0.004 0.000 1.244 310 S HN 0.062 nan 8.310 nan 0.000 0.540 311 M N 1.822 121.370 119.600 -0.088 0.000 2.682 311 M HA 0.501 4.980 4.480 -0.002 0.000 0.272 311 M C -1.681 174.532 176.300 -0.146 0.000 1.232 311 M CA -0.597 54.607 55.300 -0.159 0.000 0.849 311 M CB 1.175 33.500 32.600 -0.457 0.000 1.695 311 M HN 0.684 nan 8.290 nan 0.000 0.481 312 N N 0.415 119.102 118.700 -0.022 0.000 2.238 312 N HA 0.230 4.969 4.740 -0.002 0.000 0.222 312 N C -0.941 174.650 175.510 0.136 0.000 1.133 312 N CA -0.020 53.067 53.050 0.061 0.000 0.854 312 N CB -0.436 38.120 38.487 0.114 0.000 1.041 312 N HN 0.768 nan 8.380 nan 0.000 0.510 313 Y N -3.339 116.981 120.300 0.034 0.000 2.644 313 Y HA 0.872 5.421 4.550 -0.002 0.000 0.338 313 Y C 0.216 176.136 175.900 0.032 0.000 1.119 313 Y CA -1.805 56.318 58.100 0.039 0.000 1.060 313 Y CB 0.682 39.184 38.460 0.070 0.000 1.294 313 Y HN -0.046 nan 8.280 nan 0.000 0.472 314 G N 0.561 109.472 108.800 0.184 0.000 2.521 314 G HA2 0.392 4.351 3.960 -0.002 0.000 0.323 314 G HA3 0.392 4.351 3.960 -0.002 0.000 0.323 314 G C -0.159 174.870 174.900 0.214 0.000 1.211 314 G CA -0.729 44.431 45.100 0.099 0.000 0.979 314 G HN 0.884 nan 8.290 nan 0.000 0.490 315 L N 0.895 122.182 121.223 0.105 0.000 2.042 315 L HA -0.090 4.248 4.340 -0.002 0.000 0.210 315 L C 2.638 179.541 176.870 0.056 0.000 1.076 315 L CA 1.879 56.779 54.840 0.098 0.000 0.749 315 L CB -0.472 41.611 42.059 0.041 0.000 0.893 315 L HN 0.263 nan 8.230 nan 0.000 0.432 316 V N -0.359 119.560 119.914 0.009 0.000 2.488 316 V HA -0.218 3.901 4.120 -0.002 0.000 0.246 316 V C 2.546 178.600 176.094 -0.066 0.000 1.046 316 V CA 1.599 63.859 62.300 -0.067 0.000 1.053 316 V CB -0.509 31.287 31.823 -0.044 0.000 0.679 316 V HN 0.608 nan 8.190 nan 0.000 0.458 317 E N -0.258 119.954 120.200 0.020 0.000 2.070 317 E HA -0.320 4.029 4.350 -0.002 0.000 0.197 317 E C 2.187 178.780 176.600 -0.013 0.000 1.004 317 E CA 2.082 58.499 56.400 0.027 0.000 0.805 317 E CB -0.356 29.411 29.700 0.110 0.000 0.744 317 E HN 0.661 nan 8.360 nan 0.000 0.451 318 Y N 0.809 121.066 120.300 -0.072 0.000 2.053 318 Y HA -0.300 4.249 4.550 -0.002 0.000 0.277 318 Y C 2.165 177.890 175.900 -0.292 0.000 1.159 318 Y CA 2.208 60.204 58.100 -0.174 0.000 1.125 318 Y CB -0.825 37.630 38.460 -0.008 0.000 0.969 318 Y HN 0.166 nan 8.280 nan 0.000 0.492 319 A N 0.609 123.163 122.820 -0.444 0.000 1.892 319 A HA -0.264 4.054 4.320 -0.002 0.000 0.218 319 A C 2.317 179.590 177.584 -0.519 0.000 1.188 319 A CA 2.224 53.691 52.037 -0.951 0.000 0.631 319 A CB -0.780 17.548 19.000 -1.120 0.000 0.822 319 A HN 0.587 nan 8.150 nan 0.000 0.447 320 R N -0.474 119.835 120.500 -0.318 0.000 2.081 320 R HA -0.112 4.227 4.340 -0.002 0.000 0.235 320 R C 2.106 178.284 176.300 -0.203 0.000 1.131 320 R CA 1.385 57.360 56.100 -0.208 0.000 0.960 320 R CB -0.452 29.779 30.300 -0.115 0.000 0.856 320 R HN 0.597 nan 8.270 nan 0.000 0.436 321 N N 0.737 119.310 118.700 -0.212 0.000 2.104 321 N HA -0.177 4.561 4.740 -0.002 0.000 0.190 321 N C 1.906 177.293 175.510 -0.206 0.000 1.024 321 N CA 1.468 54.402 53.050 -0.193 0.000 0.853 321 N CB -0.118 38.244 38.487 -0.209 0.000 1.008 321 N HN 0.210 nan 8.380 nan 0.000 0.424 322 I N 0.526 120.934 120.570 -0.271 0.000 2.163 322 I HA -0.194 3.975 4.170 -0.002 0.000 0.240 322 I C 2.311 178.305 176.117 -0.205 0.000 1.081 322 I CA 0.699 61.899 61.300 -0.166 0.000 1.353 322 I CB -0.308 37.644 38.000 -0.080 0.000 1.054 322 I HN -0.117 nan 8.210 nan 0.000 0.407 323 V N 1.328 121.069 119.914 -0.289 0.000 2.295 323 V HA -0.257 3.862 4.120 -0.002 0.000 0.246 323 V C 2.176 177.919 176.094 -0.585 0.000 1.049 323 V CA 1.998 63.994 62.300 -0.507 0.000 1.024 323 V CB -0.877 30.653 31.823 -0.488 0.000 0.648 323 V HN 0.428 nan 8.190 nan 0.000 0.447 324 N N 0.184 118.632 118.700 -0.419 0.000 2.120 324 N HA -0.135 4.604 4.740 -0.002 0.000 0.188 324 N C 1.898 177.283 175.510 -0.208 0.000 1.024 324 N CA 1.985 54.825 53.050 -0.350 0.000 0.852 324 N CB -0.811 37.648 38.487 -0.047 0.000 1.003 324 N HN 0.475 nan 8.380 nan 0.000 0.424 325 T N 0.924 115.387 114.554 -0.152 0.000 2.701 325 T HA -0.039 4.310 4.350 -0.002 0.000 0.263 325 T C 2.187 176.829 174.700 -0.097 0.000 1.040 325 T CA 0.989 63.042 62.100 -0.078 0.000 1.147 325 T CB -0.528 68.310 68.868 -0.050 0.000 0.865 325 T HN -0.045 nan 8.240 nan 0.000 0.426 326 V N 1.635 121.441 119.914 -0.180 0.000 2.324 326 V HA -0.182 3.937 4.120 -0.002 0.000 0.250 326 V C 2.857 178.875 176.094 -0.127 0.000 1.060 326 V CA 2.089 64.233 62.300 -0.260 0.000 1.042 326 V CB -1.463 30.088 31.823 -0.453 0.000 0.650 326 V HN 0.633 nan 8.190 nan 0.000 0.450 327 G N -0.318 108.404 108.800 -0.129 0.000 2.433 327 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.216 327 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.216 327 G C 1.227 176.226 174.900 0.165 0.000 1.186 327 G CA 1.084 46.202 45.100 0.030 0.000 0.779 327 G HN 0.518 nan 8.290 nan 0.000 0.543 328 D N 0.104 120.590 120.400 0.144 0.000 2.144 328 D HA -0.072 4.567 4.640 -0.002 0.000 0.199 328 D C 2.742 179.120 176.300 0.129 0.000 0.984 328 D CA 0.569 54.662 54.000 0.156 0.000 0.834 328 D CB -0.362 40.513 40.800 0.126 0.000 0.955 328 D HN 0.222 nan 8.370 nan 0.000 0.465 329 V N 0.499 120.476 119.914 0.106 0.000 2.307 329 V HA -0.249 3.870 4.120 -0.002 0.000 0.245 329 V C 2.689 178.923 176.094 0.235 0.000 1.045 329 V CA 1.198 63.601 62.300 0.172 0.000 1.024 329 V CB -0.535 31.366 31.823 0.129 0.000 0.651 329 V HN 0.288 nan 8.190 nan 0.000 0.449 330 C N -0.119 119.263 119.300 0.138 0.000 2.401 330 C HA -0.199 4.260 4.460 -0.002 0.000 0.276 330 C C 2.771 177.861 174.990 0.166 0.000 1.233 330 C CA 1.204 60.308 59.018 0.144 0.000 1.753 330 C CB -1.040 26.748 27.740 0.079 0.000 2.029 330 C HN 0.538 nan 8.230 nan 0.000 0.478 331 K N 0.344 120.831 120.400 0.145 0.000 2.097 331 K HA -0.155 4.164 4.320 -0.002 0.000 0.206 331 K C 1.530 178.197 176.600 0.111 0.000 1.049 331 K CA 1.496 57.853 56.287 0.117 0.000 0.933 331 K CB -0.221 32.344 32.500 0.109 0.000 0.717 331 K HN 0.485 nan 8.250 nan 0.000 0.442 332 D N -0.541 119.941 120.400 0.136 0.000 2.224 332 D HA -0.095 4.543 4.640 -0.002 0.000 0.205 332 D C 1.189 177.504 176.300 0.025 0.000 0.965 332 D CA 1.134 55.171 54.000 0.062 0.000 0.852 332 D CB 0.120 40.941 40.800 0.036 0.000 0.947 332 D HN 0.270 nan 8.370 nan 0.000 0.494 333 Y N 0.560 120.877 120.300 0.028 0.000 2.457 333 Y HA 0.076 4.625 4.550 -0.001 0.000 0.263 333 Y C 0.482 176.392 175.900 0.018 0.000 1.164 333 Y CA -0.128 57.985 58.100 0.022 0.000 1.274 333 Y CB 0.446 38.924 38.460 0.030 0.000 1.097 333 Y HN -0.275 nan 8.280 nan 0.000 0.523 334 K N 0.576 121.073 120.400 0.162 0.000 3.096 334 K HA -0.203 4.116 4.320 -0.002 0.000 0.266 334 K C -0.818 175.838 176.600 0.095 0.000 1.043 334 K CA 0.440 56.786 56.287 0.098 0.000 0.758 334 K CB -1.735 30.801 32.500 0.061 0.000 1.260 334 K HN 0.383 nan 8.250 nan 0.000 0.481 335 Q N 0.230 120.099 119.800 0.114 0.000 2.215 335 Q HA 0.452 4.791 4.340 -0.002 0.000 0.256 335 Q C -2.043 173.998 176.000 0.069 0.000 0.972 335 Q CA -1.836 54.015 55.803 0.079 0.000 0.889 335 Q CB 1.400 30.177 28.738 0.065 0.000 1.281 335 Q HN 0.050 nan 8.270 nan 0.000 0.456 336 P HA 0.174 nan 4.420 nan 0.000 0.275 336 P C -0.753 176.587 177.300 0.066 0.000 1.228 336 P CA -0.163 62.957 63.100 0.033 0.000 0.786 336 P CB 0.627 32.341 31.700 0.024 0.000 0.927 337 M N 4.483 124.043 119.600 -0.067 0.000 2.185 337 M HA 0.301 4.780 4.480 -0.002 0.000 0.357 337 M C -1.917 174.296 176.300 -0.144 0.000 1.260 337 M CA -1.644 53.549 55.300 -0.178 0.000 1.124 337 M CB 0.917 33.198 32.600 -0.531 0.000 1.600 337 M HN 0.272 nan 8.290 nan 0.000 0.467 338 P HA 0.207 nan 4.420 nan 0.000 0.278 338 P C -0.813 176.473 177.300 -0.023 0.000 1.258 338 P CA -0.582 62.464 63.100 -0.091 0.000 0.811 338 P CB 0.529 32.105 31.700 -0.206 0.000 1.063 339 V N 1.982 121.832 119.914 -0.107 0.000 2.617 339 V HA -0.058 4.061 4.120 -0.002 0.000 0.304 339 V C 0.930 177.057 176.094 0.054 0.000 1.040 339 V CA 0.662 62.926 62.300 -0.060 0.000 1.149 339 V CB -0.684 30.966 31.823 -0.288 0.000 0.914 339 V HN 0.304 nan 8.190 nan 0.000 0.487 340 I N 6.210 126.836 120.570 0.093 0.000 2.336 340 I HA 0.446 4.615 4.170 -0.002 0.000 0.292 340 I C -0.121 175.970 176.117 -0.043 0.000 0.991 340 I CA -0.104 61.258 61.300 0.104 0.000 1.227 340 I CB 1.196 39.253 38.000 0.095 0.000 1.366 340 I HN 0.442 nan 8.210 nan 0.000 0.466 341 I N 5.354 125.873 120.570 -0.085 0.000 2.530 341 I HA 0.367 4.536 4.170 -0.002 0.000 0.297 341 I C 0.024 176.021 176.117 -0.199 0.000 1.011 341 I CA -0.338 60.802 61.300 -0.265 0.000 1.107 341 I CB 2.152 40.027 38.000 -0.208 0.000 1.285 341 I HN 0.580 nan 8.210 nan 0.000 0.436 342 S N 3.428 119.021 115.700 -0.178 0.000 2.566 342 S HA 0.502 4.971 4.470 -0.002 0.000 0.298 342 S C -0.639 173.947 174.600 -0.023 0.000 1.083 342 S CA -0.793 57.392 58.200 -0.025 0.000 0.978 342 S CB 1.830 65.146 63.200 0.192 0.000 1.073 342 S HN 0.630 nan 8.310 nan 0.000 0.491 343 E N 1.725 121.923 120.200 -0.004 0.000 2.989 343 E HA 0.247 4.596 4.350 -0.002 0.000 0.224 343 E C -0.808 175.831 176.600 0.064 0.000 1.175 343 E CA -0.378 56.021 56.400 -0.001 0.000 1.300 343 E CB 0.686 30.353 29.700 -0.056 0.000 1.422 343 E HN 0.556 nan 8.360 nan 0.000 0.439 344 S N 1.030 116.806 115.700 0.128 0.000 4.139 344 S HA 0.096 4.565 4.470 -0.002 0.000 0.215 344 S C 1.325 176.026 174.600 0.169 0.000 1.390 344 S CA -0.411 57.883 58.200 0.156 0.000 0.885 344 S CB 0.620 63.933 63.200 0.189 0.000 1.560 344 S HN 0.619 nan 8.310 nan 0.000 0.449 345 G N 2.241 111.121 108.800 0.134 0.000 2.395 345 G HA2 -0.141 3.818 3.960 -0.002 0.000 0.214 345 G HA3 -0.141 3.818 3.960 -0.002 0.000 0.214 345 G C 1.403 176.407 174.900 0.173 0.000 1.177 345 G CA 0.009 45.209 45.100 0.167 0.000 0.794 345 G HN 0.533 nan 8.290 nan 0.000 0.532 346 R N 0.414 120.996 120.500 0.136 0.000 2.091 346 R HA -0.107 4.232 4.340 -0.002 0.000 0.238 346 R C 2.637 179.050 176.300 0.188 0.000 1.136 346 R CA 1.864 58.072 56.100 0.179 0.000 0.959 346 R CB -0.454 30.015 30.300 0.282 0.000 0.856 346 R HN 0.373 nan 8.270 nan 0.000 0.437 347 S N 0.171 115.971 115.700 0.167 0.000 2.402 347 S HA -0.023 4.445 4.470 -0.002 0.000 0.229 347 S C 1.958 176.667 174.600 0.182 0.000 1.021 347 S CA 0.677 58.973 58.200 0.159 0.000 0.974 347 S CB -0.083 63.182 63.200 0.107 0.000 0.800 347 S HN 0.366 nan 8.310 nan 0.000 0.484 348 L N 0.964 122.287 121.223 0.168 0.000 2.141 348 L HA -0.044 4.295 4.340 -0.002 0.000 0.209 348 L C 2.582 179.512 176.870 0.100 0.000 1.094 348 L CA 1.656 56.565 54.840 0.114 0.000 0.763 348 L CB -0.507 41.596 42.059 0.074 0.000 0.908 348 L HN 0.555 nan 8.230 nan 0.000 0.437 349 T N -5.470 109.186 114.554 0.170 0.000 2.955 349 T HA 0.267 4.616 4.350 -0.002 0.000 0.251 349 T C 1.836 176.758 174.700 0.371 0.000 1.002 349 T CA 0.375 62.607 62.100 0.221 0.000 0.970 349 T CB 0.201 69.182 68.868 0.187 0.000 1.091 349 T HN 0.128 nan 8.240 nan 0.000 0.495 350 A N 2.146 125.138 122.820 0.287 0.000 1.873 350 A HA -0.205 4.114 4.320 -0.002 0.000 0.218 350 A C 2.077 179.792 177.584 0.219 0.000 1.193 350 A CA 2.184 54.363 52.037 0.235 0.000 0.629 350 A CB -1.276 17.788 19.000 0.108 0.000 0.826 350 A HN 0.674 nan 8.150 nan 0.000 0.447 351 H N -1.050 118.183 119.070 0.272 0.000 2.495 351 H HA -0.065 4.490 4.556 -0.002 0.000 0.287 351 H C 1.862 177.385 175.328 0.325 0.000 1.033 351 H CA 1.286 57.542 56.048 0.346 0.000 1.307 351 H CB -0.162 29.809 29.762 0.348 0.000 1.401 351 H HN 0.878 nan 8.280 nan 0.000 0.555 352 H N -0.636 118.582 119.070 0.245 0.000 2.559 352 H HA 0.294 4.848 4.556 -0.002 0.000 0.273 352 H C 0.082 175.622 175.328 0.354 0.000 1.000 352 H CA 0.692 56.870 56.048 0.217 0.000 1.195 352 H CB 0.047 29.849 29.762 0.068 0.000 1.368 352 H HN 0.277 nan 8.280 nan 0.000 0.592 353 A N 0.716 123.427 122.820 -0.181 0.000 2.454 353 A HA 0.623 4.942 4.320 -0.002 0.000 0.302 353 A C -1.198 176.346 177.584 -0.068 0.000 1.079 353 A CA -0.555 51.344 52.037 -0.230 0.000 0.731 353 A CB 2.391 21.064 19.000 -0.545 0.000 1.299 353 A HN 0.118 nan 8.150 nan 0.000 0.413 354 V N 1.472 121.322 119.914 -0.106 0.000 2.733 354 V HA 0.477 4.596 4.120 -0.002 0.000 0.306 354 V C -0.984 174.974 176.094 -0.227 0.000 1.084 354 V CA -0.395 61.758 62.300 -0.244 0.000 0.905 354 V CB 1.642 33.298 31.823 -0.278 0.000 1.010 354 V HN 0.886 nan 8.190 nan 0.000 0.424 355 L N 5.587 126.657 121.223 -0.255 0.000 2.272 355 L HA 0.686 5.024 4.340 -0.002 0.000 0.289 355 L C -0.726 176.057 176.870 -0.146 0.000 1.032 355 L CA 0.264 54.972 54.840 -0.219 0.000 0.810 355 L CB 0.843 42.699 42.059 -0.339 0.000 1.205 355 L HN 0.578 nan 8.230 nan 0.000 0.422 356 I N 4.280 124.781 120.570 -0.114 0.000 2.474 356 I HA 0.561 4.730 4.170 -0.002 0.000 0.294 356 I C -0.020 176.074 176.117 -0.039 0.000 1.005 356 I CA -0.082 61.188 61.300 -0.051 0.000 1.113 356 I CB 1.952 39.937 38.000 -0.024 0.000 1.289 356 I HN 0.636 nan 8.210 nan 0.000 0.436 357 S N 3.786 119.492 115.700 0.011 0.000 2.776 357 S HA 0.530 4.999 4.470 -0.002 0.000 0.292 357 S C -1.479 173.184 174.600 0.106 0.000 1.187 357 S CA -0.838 57.378 58.200 0.027 0.000 0.834 357 S CB 1.766 64.940 63.200 -0.042 0.000 1.199 357 S HN 0.804 nan 8.310 nan 0.000 0.514 358 N N -0.410 118.369 118.700 0.131 0.000 2.404 358 N HA 0.638 5.376 4.740 -0.002 0.000 0.297 358 N C -1.362 174.273 175.510 0.210 0.000 1.163 358 N CA -0.873 52.292 53.050 0.192 0.000 0.864 358 N CB 1.364 39.961 38.487 0.183 0.000 1.247 358 N HN 0.241 nan 8.380 nan 0.000 0.510 359 V N 2.009 122.072 119.914 0.248 0.000 2.368 359 V HA 0.118 4.237 4.120 -0.002 0.000 0.266 359 V C 1.245 177.460 176.094 0.202 0.000 1.045 359 V CA -0.566 61.806 62.300 0.120 0.000 0.899 359 V CB 0.113 31.835 31.823 -0.168 0.000 1.006 359 V HN 0.783 nan 8.190 nan 0.000 0.470 360 I N 1.836 122.477 120.570 0.119 0.000 3.783 360 I HA 0.615 4.784 4.170 -0.002 0.000 0.310 360 I C 0.807 176.937 176.117 0.022 0.000 1.274 360 I CA 0.367 61.764 61.300 0.162 0.000 1.294 360 I CB 0.306 38.384 38.000 0.129 0.000 1.051 360 I HN 0.607 nan 8.210 nan 0.000 0.435 361 G N 0.773 109.397 108.800 -0.294 0.000 2.559 361 G HA2 0.554 4.513 3.960 -0.002 0.000 0.291 361 G HA3 0.554 4.513 3.960 -0.002 0.000 0.291 361 G C -1.118 173.370 174.900 -0.686 0.000 1.424 361 G CA 0.116 44.832 45.100 -0.639 0.000 0.786 361 G HN 0.262 nan 8.290 nan 0.000 0.485 362 T N -2.147 112.018 114.554 -0.647 0.000 2.843 362 T HA 0.752 5.100 4.350 -0.002 0.000 0.302 362 T C -1.725 172.961 174.700 -0.024 0.000 1.232 362 T CA -0.803 61.118 62.100 -0.298 0.000 1.009 362 T CB 2.782 71.316 68.868 -0.558 0.000 1.254 362 T HN 0.402 nan 8.240 nan 0.000 0.504 363 E N 1.763 122.032 120.200 0.115 0.000 2.191 363 E HA 0.568 4.917 4.350 -0.002 0.000 0.263 363 E C -0.576 176.089 176.600 0.109 0.000 0.881 363 E CA -0.406 56.066 56.400 0.119 0.000 0.757 363 E CB 1.958 31.763 29.700 0.176 0.000 1.147 363 E HN 0.974 nan 8.360 nan 0.000 0.414 364 T N -0.160 114.458 114.554 0.106 0.000 2.916 364 T HA 0.456 4.805 4.350 -0.002 0.000 0.292 364 T C -0.696 174.095 174.700 0.152 0.000 1.055 364 T CA -0.824 61.358 62.100 0.136 0.000 1.009 364 T CB 1.166 70.116 68.868 0.136 0.000 1.118 364 T HN 0.316 nan 8.240 nan 0.000 0.497 365 Y N 1.637 121.971 120.300 0.057 0.000 2.327 365 Y HA 0.509 5.058 4.550 -0.002 0.000 0.336 365 Y C 0.261 176.154 175.900 -0.010 0.000 1.035 365 Y CA -0.765 57.350 58.100 0.025 0.000 1.165 365 Y CB 0.925 39.409 38.460 0.041 0.000 1.181 365 Y HN 0.813 nan 8.280 nan 0.000 0.494 366 K N 8.943 128.886 120.400 -0.761 0.000 2.263 366 K HA 0.397 4.716 4.320 -0.002 0.000 0.272 366 K C -2.785 173.121 176.600 -1.157 0.000 1.033 366 K CA -2.201 53.662 56.287 -0.707 0.000 0.884 366 K CB 0.863 33.158 32.500 -0.341 0.000 1.107 366 K HN 0.444 nan 8.250 nan 0.000 0.460 367 P HA -0.087 nan 4.420 nan 0.000 0.260 367 P C -1.034 175.995 177.300 -0.452 0.000 1.185 367 P CA 0.468 63.060 63.100 -0.847 0.000 0.763 367 P CB 0.501 31.731 31.700 -0.784 0.000 0.776 368 E N 1.584 121.594 120.200 -0.316 0.000 2.359 368 E HA 0.365 4.714 4.350 -0.002 0.000 0.266 368 E C -0.764 175.749 176.600 -0.146 0.000 0.920 368 E CA -0.911 55.375 56.400 -0.190 0.000 0.788 368 E CB 1.203 30.806 29.700 -0.161 0.000 1.279 368 E HN 0.260 nan 8.360 nan 0.000 0.438 369 T N -0.485 114.023 114.554 -0.077 0.000 2.870 369 T HA 0.202 4.551 4.350 -0.002 0.000 0.300 369 T C 0.128 174.789 174.700 -0.065 0.000 0.989 369 T CA -0.547 61.542 62.100 -0.019 0.000 1.139 369 T CB 0.167 69.065 68.868 0.049 0.000 0.920 369 T HN 0.292 nan 8.240 nan 0.000 0.537 370 V N 6.683 126.526 119.914 -0.119 0.000 2.455 370 V HA 0.281 4.400 4.120 -0.002 0.000 0.273 370 V C 1.326 177.548 176.094 0.213 0.000 1.045 370 V CA -0.485 61.723 62.300 -0.154 0.000 0.976 370 V CB 0.476 31.943 31.823 -0.593 0.000 0.993 370 V HN 1.174 nan 8.190 nan 0.000 0.475 371 T N 2.080 116.766 114.554 0.220 0.000 2.913 371 T HA 0.303 4.652 4.350 -0.002 0.000 0.297 371 T C 0.008 174.770 174.700 0.103 0.000 1.029 371 T CA -0.658 61.572 62.100 0.216 0.000 1.104 371 T CB 1.090 70.078 68.868 0.201 0.000 0.964 371 T HN 0.735 nan 8.240 nan 0.000 0.532 372 E N 2.455 122.479 120.200 -0.293 0.000 2.384 372 E HA 0.155 4.503 4.350 -0.002 0.000 0.266 372 E C -2.167 173.902 176.600 -0.886 0.000 1.012 372 E CA -1.840 53.983 56.400 -0.963 0.000 0.901 372 E CB 0.180 29.497 29.700 -0.638 0.000 0.967 372 E HN 0.394 nan 8.360 nan 0.000 0.435 373 P HA -0.062 nan 4.420 nan 0.000 0.265 373 P C -0.914 175.672 177.300 -1.190 0.000 1.187 373 P CA 0.534 62.756 63.100 -1.463 0.000 0.766 373 P CB 0.501 31.607 31.700 -0.990 0.000 0.820 374 E N 1.024 120.310 120.200 -1.524 0.000 2.345 374 E HA -0.009 4.340 4.350 -0.002 0.000 0.259 374 E C 1.121 177.452 176.600 -0.448 0.000 1.117 374 E CA -0.379 55.571 56.400 -0.749 0.000 0.913 374 E CB 0.403 29.794 29.700 -0.513 0.000 1.057 374 E HN 0.380 nan 8.360 nan 0.000 0.432 375 E N 1.571 121.632 120.200 -0.232 0.000 2.086 375 E HA -0.256 4.093 4.350 -0.002 0.000 0.205 375 E C 0.877 177.452 176.600 -0.042 0.000 1.027 375 E CA 2.069 58.398 56.400 -0.118 0.000 0.830 375 E CB -0.076 29.579 29.700 -0.075 0.000 0.751 375 E HN 0.590 nan 8.360 nan 0.000 0.456 376 D N -0.812 119.605 120.400 0.028 0.000 2.352 376 D HA -0.070 4.569 4.640 -0.002 0.000 0.236 376 D C -0.197 176.205 176.300 0.169 0.000 1.148 376 D CA -0.261 53.791 54.000 0.088 0.000 0.844 376 D CB -0.862 39.994 40.800 0.094 0.000 0.933 376 D HN 0.169 nan 8.370 nan 0.000 0.507 377 F N 1.637 121.467 119.950 -0.200 0.000 2.484 377 F HA 0.216 4.742 4.527 -0.002 0.000 0.360 377 F C -1.387 174.242 175.800 -0.286 0.000 1.101 377 F CA -2.058 55.728 58.000 -0.357 0.000 1.251 377 F CB 0.709 39.429 39.000 -0.466 0.000 1.132 377 F HN -0.113 nan 8.300 nan 0.000 0.570 378 P HA 0.026 nan 4.420 nan 0.000 0.275 378 P C 0.879 178.129 177.300 -0.084 0.000 1.266 378 P CA -0.373 62.638 63.100 -0.148 0.000 0.793 378 P CB 0.873 32.464 31.700 -0.183 0.000 1.074 379 L N 0.047 121.247 121.223 -0.039 0.000 2.079 379 L HA -0.179 4.160 4.340 -0.002 0.000 0.210 379 L C 2.160 179.040 176.870 0.017 0.000 1.081 379 L CA 1.501 56.341 54.840 -0.001 0.000 0.752 379 L CB -0.542 41.520 42.059 0.004 0.000 0.896 379 L HN 0.291 nan 8.230 nan 0.000 0.433 380 L N -0.475 120.746 121.223 -0.003 0.000 2.083 380 L HA -0.226 4.113 4.340 -0.002 0.000 0.209 380 L C 2.175 179.084 176.870 0.064 0.000 1.083 380 L CA 1.682 56.535 54.840 0.022 0.000 0.752 380 L CB -0.360 41.699 42.059 0.001 0.000 0.899 380 L HN 0.122 nan 8.230 nan 0.000 0.433 381 L N -0.212 121.021 121.223 0.018 0.000 2.072 381 L HA -0.100 4.239 4.340 -0.002 0.000 0.205 381 L C 2.338 179.320 176.870 0.187 0.000 1.079 381 L CA 1.210 56.105 54.840 0.092 0.000 0.752 381 L CB -1.213 40.729 42.059 -0.195 0.000 0.906 381 L HN 0.318 nan 8.230 nan 0.000 0.436 382 N N 0.135 118.905 118.700 0.116 0.000 2.094 382 N HA -0.209 4.530 4.740 -0.002 0.000 0.191 382 N C 1.540 177.216 175.510 0.276 0.000 1.023 382 N CA 1.347 54.510 53.050 0.189 0.000 0.857 382 N CB -0.542 38.007 38.487 0.103 0.000 1.013 382 N HN 0.360 nan 8.380 nan 0.000 0.426 383 N N 1.006 119.821 118.700 0.191 0.000 2.149 383 N HA -0.094 4.644 4.740 -0.002 0.000 0.188 383 N C 1.788 177.426 175.510 0.214 0.000 1.019 383 N CA 0.919 54.071 53.050 0.170 0.000 0.857 383 N CB -0.283 38.268 38.487 0.108 0.000 0.997 383 N HN 0.404 nan 8.380 nan 0.000 0.426 384 M N -1.073 118.701 119.600 0.291 0.000 2.132 384 M HA -0.117 4.362 4.480 -0.002 0.000 0.263 384 M C 2.167 178.747 176.300 0.468 0.000 1.065 384 M CA 1.014 56.513 55.300 0.332 0.000 1.122 384 M CB -0.314 32.505 32.600 0.366 0.000 1.365 384 M HN 0.311 nan 8.290 nan 0.000 0.411 385 W N 2.615 124.167 121.300 0.419 0.000 2.318 385 W HA -0.272 4.387 4.660 -0.002 0.000 0.313 385 W C 2.468 179.163 176.519 0.294 0.000 1.221 385 W CA 1.904 59.502 57.345 0.422 0.000 1.266 385 W CB -0.381 29.282 29.460 0.338 0.000 1.150 385 W HN 0.251 nan 8.180 nan 0.000 0.496 386 R N 0.813 121.413 120.500 0.168 0.000 2.073 386 R HA -0.145 4.194 4.340 -0.002 0.000 0.234 386 R C 2.157 178.421 176.300 -0.061 0.000 1.134 386 R CA 2.224 58.307 56.100 -0.028 0.000 0.952 386 R CB -1.017 29.323 30.300 0.066 0.000 0.850 386 R HN 0.004 nan 8.270 nan 0.000 0.433 387 S N 0.895 116.618 115.700 0.039 0.000 2.365 387 S HA -0.198 4.271 4.470 -0.002 0.000 0.225 387 S C 1.420 176.016 174.600 -0.007 0.000 1.039 387 S CA 1.456 59.667 58.200 0.019 0.000 1.033 387 S CB -0.699 62.542 63.200 0.070 0.000 0.887 387 S HN 0.603 nan 8.310 nan 0.000 0.447 388 W N 2.220 123.434 121.300 -0.143 0.000 2.358 388 W HA -0.103 4.556 4.660 -0.002 0.000 0.303 388 W C 1.455 177.818 176.519 -0.260 0.000 1.208 388 W CA 0.938 58.176 57.345 -0.178 0.000 1.274 388 W CB -0.424 28.947 29.460 -0.148 0.000 1.138 388 W HN 0.261 nan 8.180 nan 0.000 0.515 389 L N 1.289 122.131 121.223 -0.636 0.000 2.191 389 L HA -0.239 4.100 4.340 -0.002 0.000 0.212 389 L C 1.695 178.308 176.870 -0.429 0.000 1.103 389 L CA 1.165 55.602 54.840 -0.672 0.000 0.769 389 L CB -0.919 40.778 42.059 -0.604 0.000 0.908 389 L HN -0.036 nan 8.230 nan 0.000 0.438 390 N N -0.167 118.321 118.700 -0.354 0.000 2.398 390 N HA 0.052 4.791 4.740 -0.002 0.000 0.188 390 N C -0.004 175.174 175.510 -0.552 0.000 1.122 390 N CA 0.264 53.114 53.050 -0.333 0.000 0.866 390 N CB 0.242 38.602 38.487 -0.213 0.000 0.970 390 N HN 0.064 nan 8.380 nan 0.000 0.462 391 L N 1.830 122.740 121.223 -0.522 0.000 2.277 391 L HA 0.300 4.638 4.340 -0.002 0.000 0.284 391 L C -0.575 176.014 176.870 -0.469 0.000 1.028 391 L CA -0.485 54.074 54.840 -0.468 0.000 0.835 391 L CB -0.076 41.833 42.059 -0.250 0.000 1.215 391 L HN 0.270 nan 8.230 nan 0.000 0.425 392 H N 0.846 119.796 119.070 -0.200 0.000 2.984 392 H HA 0.482 5.037 4.556 -0.002 0.000 0.277 392 H C 0.070 175.340 175.328 -0.097 0.000 1.502 392 H CA -0.931 55.012 56.048 -0.175 0.000 1.195 392 H CB 0.270 29.922 29.762 -0.183 0.000 1.866 392 H HN 0.232 nan 8.280 nan 0.000 0.594 393 N N -1.140 117.667 118.700 0.179 0.000 2.396 393 N HA 0.039 4.777 4.740 -0.002 0.000 0.180 393 N C 1.742 177.323 175.510 0.118 0.000 1.028 393 N CA 1.178 54.283 53.050 0.092 0.000 0.893 393 N CB -0.040 38.469 38.487 0.037 0.000 0.967 393 N HN 0.761 nan 8.380 nan 0.000 0.440 394 G N -0.958 107.978 108.800 0.227 0.000 2.744 394 G HA2 -0.070 3.889 3.960 -0.002 0.000 0.211 394 G HA3 -0.070 3.889 3.960 -0.002 0.000 0.211 394 G C 0.364 175.375 174.900 0.185 0.000 1.143 394 G CA 0.264 45.466 45.100 0.169 0.000 0.788 394 G HN 0.134 nan 8.290 nan 0.000 0.534 395 T N 2.209 116.850 114.554 0.145 0.000 2.794 395 T HA 0.264 4.613 4.350 -0.002 0.000 0.296 395 T C 0.285 174.990 174.700 0.008 0.000 0.949 395 T CA -0.490 61.603 62.100 -0.012 0.000 1.101 395 T CB 1.071 69.802 68.868 -0.227 0.000 0.905 395 T HN 0.441 nan 8.240 nan 0.000 0.516 396 D N 2.469 122.879 120.400 0.015 0.000 2.371 396 D HA 0.163 4.802 4.640 -0.002 0.000 0.242 396 D C 1.211 177.542 176.300 0.051 0.000 1.218 396 D CA -0.590 53.430 54.000 0.034 0.000 0.945 396 D CB 1.099 41.914 40.800 0.025 0.000 1.137 396 D HN 0.448 nan 8.370 nan 0.000 0.464 397 A N 0.907 123.781 122.820 0.091 0.000 2.067 397 A HA -0.133 4.186 4.320 -0.002 0.000 0.219 397 A C 2.274 179.973 177.584 0.192 0.000 1.158 397 A CA 0.844 53.002 52.037 0.201 0.000 0.661 397 A CB -0.388 18.718 19.000 0.175 0.000 0.801 397 A HN 0.631 nan 8.150 nan 0.000 0.452 398 R N -1.322 119.220 120.500 0.071 0.000 2.206 398 R HA 0.186 4.525 4.340 -0.002 0.000 0.198 398 R C 2.284 178.598 176.300 0.025 0.000 0.986 398 R CA 0.783 56.899 56.100 0.028 0.000 1.029 398 R CB -0.110 30.166 30.300 -0.040 0.000 0.966 398 R HN 0.459 nan 8.270 nan 0.000 0.487 399 A N 1.253 124.084 122.820 0.017 0.000 1.978 399 A HA -0.145 4.173 4.320 -0.002 0.000 0.220 399 A C 2.039 179.635 177.584 0.019 0.000 1.170 399 A CA 1.094 53.134 52.037 0.006 0.000 0.636 399 A CB -0.425 18.563 19.000 -0.020 0.000 0.810 399 A HN 0.201 nan 8.150 nan 0.000 0.448 400 L N -0.220 121.019 121.223 0.027 0.000 1.994 400 L HA -0.199 4.140 4.340 -0.002 0.000 0.208 400 L C 2.496 179.400 176.870 0.056 0.000 1.071 400 L CA 1.122 55.965 54.840 0.005 0.000 0.745 400 L CB -0.619 41.388 42.059 -0.086 0.000 0.892 400 L HN 0.341 nan 8.230 nan 0.000 0.431 401 I N 0.075 120.696 120.570 0.084 0.000 2.163 401 I HA -0.329 3.840 4.170 -0.002 0.000 0.243 401 I C 2.553 178.766 176.117 0.159 0.000 1.085 401 I CA 1.808 63.189 61.300 0.135 0.000 1.347 401 I CB -1.008 37.070 38.000 0.129 0.000 1.044 401 I HN 0.472 nan 8.210 nan 0.000 0.408 402 E N 1.627 121.884 120.200 0.094 0.000 2.049 402 E HA -0.240 4.109 4.350 -0.002 0.000 0.198 402 E C 2.369 179.021 176.600 0.086 0.000 1.007 402 E CA 1.643 58.087 56.400 0.073 0.000 0.809 402 E CB -0.115 29.606 29.700 0.035 0.000 0.749 402 E HN 0.451 nan 8.360 nan 0.000 0.450 403 I N 0.238 120.858 120.570 0.083 0.000 2.208 403 I HA -0.290 3.879 4.170 -0.002 0.000 0.245 403 I C 2.404 178.610 176.117 0.149 0.000 1.097 403 I CA 1.319 62.669 61.300 0.084 0.000 1.363 403 I CB -0.475 37.560 38.000 0.059 0.000 1.051 403 I HN 0.290 nan 8.210 nan 0.000 0.413 404 Y N 2.424 122.764 120.300 0.068 0.000 2.114 404 Y HA -0.340 4.209 4.550 -0.002 0.000 0.282 404 Y C 2.395 178.363 175.900 0.113 0.000 1.165 404 Y CA 1.919 60.089 58.100 0.116 0.000 1.148 404 Y CB -0.442 38.062 38.460 0.073 0.000 0.972 404 Y HN 0.218 nan 8.280 nan 0.000 0.504 405 N N 0.322 119.055 118.700 0.056 0.000 2.142 405 N HA -0.144 4.595 4.740 -0.002 0.000 0.186 405 N C 1.418 176.898 175.510 -0.050 0.000 1.023 405 N CA 1.552 54.574 53.050 -0.046 0.000 0.852 405 N CB -0.583 37.927 38.487 0.038 0.000 0.998 405 N HN 0.405 nan 8.380 nan 0.000 0.424 406 D N -0.257 120.142 120.400 -0.001 0.000 2.149 406 D HA -0.071 4.568 4.640 -0.002 0.000 0.198 406 D C 1.648 177.939 176.300 -0.016 0.000 0.990 406 D CA 1.154 55.155 54.000 0.002 0.000 0.839 406 D CB -0.367 40.445 40.800 0.021 0.000 0.948 406 D HN 0.240 nan 8.370 nan 0.000 0.460 407 T N 0.439 114.978 114.554 -0.025 0.000 2.812 407 T HA -0.090 4.258 4.350 -0.002 0.000 0.264 407 T C 1.889 176.555 174.700 -0.056 0.000 1.042 407 T CA 0.742 62.812 62.100 -0.050 0.000 1.140 407 T CB -0.072 68.754 68.868 -0.070 0.000 0.870 407 T HN 0.208 nan 8.240 nan 0.000 0.445 408 Q N 0.921 120.675 119.800 -0.076 0.000 2.050 408 Q HA -0.072 4.266 4.340 -0.002 0.000 0.202 408 Q C 2.728 178.705 176.000 -0.038 0.000 0.980 408 Q CA 1.415 57.178 55.803 -0.066 0.000 0.840 408 Q CB -0.299 28.303 28.738 -0.227 0.000 0.898 408 Q HN 0.428 nan 8.270 nan 0.000 0.424 409 S N 1.241 116.915 115.700 -0.043 0.000 2.368 409 S HA -0.136 4.333 4.470 -0.002 0.000 0.225 409 S C 1.428 176.022 174.600 -0.010 0.000 1.030 409 S CA 1.310 59.501 58.200 -0.016 0.000 0.999 409 S CB -0.225 62.968 63.200 -0.011 0.000 0.844 409 S HN 0.323 nan 8.310 nan 0.000 0.459 410 D N 1.127 121.518 120.400 -0.015 0.000 2.117 410 D HA -0.049 4.590 4.640 -0.002 0.000 0.197 410 D C 1.859 178.136 176.300 -0.039 0.000 0.987 410 D CA 0.603 54.597 54.000 -0.010 0.000 0.829 410 D CB -0.363 40.442 40.800 0.008 0.000 0.961 410 D HN 0.223 nan 8.370 nan 0.000 0.460 411 L N 0.698 121.880 121.223 -0.067 0.000 2.072 411 L HA 0.076 4.415 4.340 -0.002 0.000 0.205 411 L C 2.095 178.869 176.870 -0.160 0.000 1.079 411 L CA 1.410 56.158 54.840 -0.153 0.000 0.752 411 L CB -0.707 41.275 42.059 -0.129 0.000 0.906 411 L HN -0.045 nan 8.230 nan 0.000 0.436 412 A N -0.736 122.076 122.820 -0.014 0.000 1.940 412 A HA -0.287 4.031 4.320 -0.002 0.000 0.219 412 A C 2.334 179.949 177.584 0.052 0.000 1.176 412 A CA 1.993 54.073 52.037 0.071 0.000 0.631 412 A CB -0.677 18.363 19.000 0.067 0.000 0.814 412 A HN 0.646 nan 8.150 nan 0.000 0.446 413 E N -0.305 119.901 120.200 0.011 0.000 2.112 413 E HA -0.073 4.276 4.350 -0.002 0.000 0.190 413 E C 1.810 178.420 176.600 0.016 0.000 0.979 413 E CA 0.989 57.403 56.400 0.022 0.000 0.814 413 E CB -0.093 29.616 29.700 0.015 0.000 0.762 413 E HN 0.295 nan 8.360 nan 0.000 0.460 414 V N 1.162 121.054 119.914 -0.036 0.000 2.282 414 V HA -0.323 3.796 4.120 -0.002 0.000 0.249 414 V C 1.964 178.071 176.094 0.023 0.000 1.057 414 V CA 2.512 64.784 62.300 -0.047 0.000 1.032 414 V CB -0.873 30.866 31.823 -0.141 0.000 0.645 414 V HN 0.439 nan 8.190 nan 0.000 0.447 415 H N -0.575 118.549 119.070 0.089 0.000 2.387 415 H HA -0.131 4.423 4.556 -0.002 0.000 0.299 415 H C 2.525 177.935 175.328 0.137 0.000 1.099 415 H CA 1.467 57.585 56.048 0.117 0.000 1.315 415 H CB -0.048 29.758 29.762 0.074 0.000 1.380 415 H HN 0.359 nan 8.280 nan 0.000 0.513 416 S N 0.356 116.178 115.700 0.204 0.000 2.383 416 S HA -0.165 4.304 4.470 -0.002 0.000 0.227 416 S C 1.985 176.650 174.600 0.107 0.000 1.026 416 S CA 1.029 59.308 58.200 0.131 0.000 0.981 416 S CB -0.078 63.172 63.200 0.083 0.000 0.818 416 S HN 0.475 nan 8.310 nan 0.000 0.472 417 Q N -0.384 119.481 119.800 0.108 0.000 2.079 417 Q HA -0.054 4.284 4.340 -0.002 0.000 0.200 417 Q C 1.911 177.966 176.000 0.093 0.000 0.974 417 Q CA 1.131 56.981 55.803 0.079 0.000 0.840 417 Q CB -0.280 28.496 28.738 0.063 0.000 0.898 417 Q HN 0.551 nan 8.270 nan 0.000 0.430 418 F N 1.498 121.479 119.950 0.052 0.000 2.069 418 F HA -0.250 4.276 4.527 -0.002 0.000 0.298 418 F C 2.199 178.028 175.800 0.048 0.000 1.113 418 F CA 1.558 59.593 58.000 0.058 0.000 1.214 418 F CB -0.432 38.624 39.000 0.094 0.000 0.978 418 F HN 0.015 nan 8.300 nan 0.000 0.474 419 A N -0.790 122.079 122.820 0.082 0.000 2.032 419 A HA -0.226 4.093 4.320 -0.002 0.000 0.221 419 A C 1.980 179.506 177.584 -0.097 0.000 1.165 419 A CA 2.307 54.337 52.037 -0.012 0.000 0.645 419 A CB -1.473 17.575 19.000 0.081 0.000 0.807 419 A HN 0.553 nan 8.150 nan 0.000 0.453 420 T N -5.728 108.776 114.554 -0.083 0.000 3.092 420 T HA 0.462 4.811 4.350 -0.002 0.000 0.258 420 T C 1.203 175.840 174.700 -0.104 0.000 1.031 420 T CA 0.946 63.004 62.100 -0.071 0.000 0.925 420 T CB 0.449 69.301 68.868 -0.028 0.000 1.036 420 T HN 1.663 nan 8.240 nan 0.000 0.544 421 G N 0.506 109.199 108.800 -0.178 0.000 2.176 421 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.232 421 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.232 421 G C 0.737 175.576 174.900 -0.102 0.000 0.986 421 G CA 0.095 45.095 45.100 -0.166 0.000 0.643 421 G HN 0.487 nan 8.290 nan 0.000 0.522 422 V N 0.241 120.118 119.914 -0.063 0.000 2.788 422 V HA 0.378 4.497 4.120 -0.002 0.000 0.251 422 V C 1.356 177.465 176.094 0.025 0.000 1.068 422 V CA 1.390 63.681 62.300 -0.015 0.000 1.090 422 V CB 0.056 31.877 31.823 -0.002 0.000 0.710 422 V HN 0.377 nan 8.190 nan 0.000 0.467 423 L N 0.010 121.268 121.223 0.058 0.000 2.354 423 L HA 0.466 4.804 4.340 -0.002 0.000 0.269 423 L C 0.489 177.486 176.870 0.211 0.000 1.005 423 L CA -0.471 54.477 54.840 0.181 0.000 0.819 423 L CB 2.373 44.569 42.059 0.229 0.000 1.311 423 L HN 0.184 nan 8.230 nan 0.000 0.423 424 T N -1.286 113.370 114.554 0.170 0.000 2.754 424 T HA 0.151 4.500 4.350 -0.002 0.000 0.286 424 T C 0.898 175.738 174.700 0.234 0.000 0.997 424 T CA -0.621 61.521 62.100 0.070 0.000 0.982 424 T CB 1.033 69.738 68.868 -0.271 0.000 1.027 424 T HN 0.443 nan 8.240 nan 0.000 0.529 425 L N 0.611 121.972 121.223 0.230 0.000 2.046 425 L HA 0.003 4.342 4.340 -0.002 0.000 0.208 425 L C 2.584 179.434 176.870 -0.034 0.000 1.077 425 L CA 1.820 56.707 54.840 0.078 0.000 0.747 425 L CB -1.102 41.004 42.059 0.079 0.000 0.896 425 L HN 0.853 nan 8.230 nan 0.000 0.432 426 E N -1.374 118.785 120.200 -0.068 0.000 2.077 426 E HA -0.252 4.097 4.350 -0.002 0.000 0.193 426 E C 2.036 178.651 176.600 0.026 0.000 0.989 426 E CA 1.719 58.091 56.400 -0.047 0.000 0.800 426 E CB -0.295 29.343 29.700 -0.103 0.000 0.746 426 E HN 0.690 nan 8.360 nan 0.000 0.452 427 H N -0.234 118.790 119.070 -0.077 0.000 2.353 427 H HA -0.096 4.459 4.556 -0.002 0.000 0.300 427 H C 2.320 177.640 175.328 -0.013 0.000 1.090 427 H CA 1.179 57.125 56.048 -0.169 0.000 1.327 427 H CB 0.035 29.634 29.762 -0.272 0.000 1.383 427 H HN -0.002 nan 8.280 nan 0.000 0.508 428 R N 1.297 121.854 120.500 0.096 0.000 2.080 428 R HA -0.172 4.167 4.340 -0.002 0.000 0.236 428 R C 2.480 178.783 176.300 0.004 0.000 1.137 428 R CA 1.472 57.561 56.100 -0.018 0.000 0.943 428 R CB -0.394 29.727 30.300 -0.297 0.000 0.846 428 R HN 0.280 nan 8.270 nan 0.000 0.431 429 A N 0.287 123.115 122.820 0.014 0.000 1.883 429 A HA -0.238 4.081 4.320 -0.002 0.000 0.217 429 A C 2.068 179.710 177.584 0.097 0.000 1.186 429 A CA 1.553 53.613 52.037 0.038 0.000 0.624 429 A CB -1.369 17.658 19.000 0.045 0.000 0.822 429 A HN 0.770 nan 8.150 nan 0.000 0.444 430 W N 0.516 121.824 121.300 0.013 0.000 2.335 430 W HA -0.186 4.473 4.660 -0.002 0.000 0.311 430 W C 2.501 179.028 176.519 0.014 0.000 1.213 430 W CA 2.607 59.986 57.345 0.058 0.000 1.274 430 W CB -0.212 29.348 29.460 0.165 0.000 1.148 430 W HN 0.375 nan 8.180 nan 0.000 0.498 431 A N 0.057 123.029 122.820 0.252 0.000 1.902 431 A HA -0.230 4.089 4.320 -0.002 0.000 0.217 431 A C 1.814 179.296 177.584 -0.169 0.000 1.181 431 A CA 1.964 54.035 52.037 0.057 0.000 0.623 431 A CB -0.869 18.186 19.000 0.092 0.000 0.818 431 A HN 0.494 nan 8.150 nan 0.000 0.443 432 E N -0.683 119.443 120.200 -0.124 0.000 2.047 432 E HA -0.190 4.159 4.350 -0.002 0.000 0.191 432 E C 2.301 178.788 176.600 -0.188 0.000 0.987 432 E CA 1.221 57.548 56.400 -0.122 0.000 0.799 432 E CB -0.133 29.549 29.700 -0.030 0.000 0.752 432 E HN 0.523 nan 8.360 nan 0.000 0.449 433 Q N -0.074 119.602 119.800 -0.206 0.000 2.119 433 Q HA -0.070 4.269 4.340 -0.002 0.000 0.201 433 Q C 2.246 178.026 176.000 -0.366 0.000 0.972 433 Q CA 1.279 56.952 55.803 -0.217 0.000 0.847 433 Q CB -0.496 28.142 28.738 -0.167 0.000 0.903 433 Q HN 0.257 nan 8.270 nan 0.000 0.433 434 T N 0.783 114.993 114.554 -0.572 0.000 2.867 434 T HA -0.056 4.293 4.350 -0.002 0.000 0.268 434 T C 2.105 176.509 174.700 -0.494 0.000 1.057 434 T CA 1.277 62.974 62.100 -0.672 0.000 1.136 434 T CB -0.054 68.191 68.868 -1.038 0.000 0.874 434 T HN 0.194 nan 8.240 nan 0.000 0.466 435 S N 1.386 116.814 115.700 -0.453 0.000 2.356 435 S HA 0.058 4.527 4.470 -0.002 0.000 0.223 435 S C 2.034 176.198 174.600 -0.727 0.000 1.032 435 S CA 0.802 58.654 58.200 -0.579 0.000 1.005 435 S CB -0.452 62.453 63.200 -0.492 0.000 0.867 435 S HN 0.360 nan 8.310 nan 0.000 0.449 436 L N 0.806 121.737 121.223 -0.486 0.000 2.046 436 L HA -0.133 4.206 4.340 -0.002 0.000 0.208 436 L C 2.736 179.346 176.870 -0.432 0.000 1.077 436 L CA 1.338 55.883 54.840 -0.491 0.000 0.747 436 L CB -0.407 41.241 42.059 -0.685 0.000 0.896 436 L HN 0.213 nan 8.230 nan 0.000 0.432 437 R N 0.781 121.097 120.500 -0.307 0.000 2.081 437 R HA -0.123 4.216 4.340 -0.002 0.000 0.235 437 R C 2.064 178.356 176.300 -0.015 0.000 1.131 437 R CA 1.534 57.558 56.100 -0.126 0.000 0.960 437 R CB -0.511 29.563 30.300 -0.378 0.000 0.856 437 R HN 0.257 nan 8.270 nan 0.000 0.436 438 I N -0.313 120.187 120.570 -0.117 0.000 2.226 438 I HA -0.287 3.882 4.170 -0.002 0.000 0.245 438 I C 1.586 177.796 176.117 0.154 0.000 1.100 438 I CA 1.086 62.433 61.300 0.078 0.000 1.374 438 I CB -0.335 37.655 38.000 -0.017 0.000 1.057 438 I HN 0.160 nan 8.210 nan 0.000 0.413 439 Y N -0.323 120.021 120.300 0.073 0.000 2.145 439 Y HA -0.303 4.245 4.550 -0.002 0.000 0.286 439 Y C 2.522 178.481 175.900 0.098 0.000 1.145 439 Y CA 1.088 59.240 58.100 0.086 0.000 1.148 439 Y CB -1.453 37.031 38.460 0.040 0.000 0.981 439 Y HN 0.167 nan 8.280 nan 0.000 0.507 440 Y N 1.164 121.555 120.300 0.150 0.000 2.151 440 Y HA -0.262 4.286 4.550 -0.002 0.000 0.284 440 Y C 2.308 178.303 175.900 0.158 0.000 1.166 440 Y CA 1.966 60.163 58.100 0.160 0.000 1.163 440 Y CB -0.075 38.537 38.460 0.253 0.000 0.974 440 Y HN 0.027 nan 8.280 nan 0.000 0.511 441 E N 0.319 120.723 120.200 0.339 0.000 2.051 441 E HA -0.197 4.152 4.350 -0.002 0.000 0.192 441 E C 2.334 178.984 176.600 0.083 0.000 0.991 441 E CA 1.438 57.982 56.400 0.240 0.000 0.799 441 E CB -0.617 29.297 29.700 0.356 0.000 0.748 441 E HN 0.548 nan 8.360 nan 0.000 0.449 442 L N 1.003 122.286 121.223 0.100 0.000 2.079 442 L HA -0.212 4.127 4.340 -0.002 0.000 0.210 442 L C 2.195 179.021 176.870 -0.073 0.000 1.081 442 L CA 1.165 56.015 54.840 0.017 0.000 0.752 442 L CB -0.427 41.679 42.059 0.078 0.000 0.896 442 L HN 0.116 nan 8.230 nan 0.000 0.433 443 N N -0.086 118.568 118.700 -0.077 0.000 2.453 443 N HA -0.137 4.602 4.740 -0.002 0.000 0.183 443 N C 1.793 177.211 175.510 -0.152 0.000 1.041 443 N CA 0.919 53.887 53.050 -0.137 0.000 0.900 443 N CB 0.166 38.559 38.487 -0.157 0.000 0.961 443 N HN 0.219 nan 8.380 nan 0.000 0.443 444 R N -1.010 119.406 120.500 -0.140 0.000 2.146 444 R HA 0.251 4.589 4.340 -0.002 0.000 0.206 444 R C 1.796 178.059 176.300 -0.062 0.000 1.049 444 R CA 0.337 56.374 56.100 -0.106 0.000 1.029 444 R CB 0.038 30.282 30.300 -0.093 0.000 0.949 444 R HN 0.184 nan 8.270 nan 0.000 0.471 445 L N 0.386 121.573 121.223 -0.060 0.000 2.179 445 L HA 0.061 4.400 4.340 -0.002 0.000 0.208 445 L C 1.137 177.960 176.870 -0.078 0.000 1.096 445 L CA 0.595 55.405 54.840 -0.049 0.000 0.779 445 L CB -0.153 41.879 42.059 -0.045 0.000 0.922 445 L HN 0.147 nan 8.230 nan 0.000 0.443 446 M N -0.417 119.082 119.600 -0.169 0.000 2.226 446 M HA 0.060 4.538 4.480 -0.002 0.000 0.324 446 M C 0.345 176.649 176.300 0.007 0.000 1.112 446 M CA 0.419 55.556 55.300 -0.273 0.000 1.176 446 M CB 1.079 33.382 32.600 -0.496 0.000 1.430 446 M HN -0.009 nan 8.290 nan 0.000 0.462 447 S N -0.243 115.622 115.700 0.274 0.000 2.532 447 S HA 0.330 4.799 4.470 -0.002 0.000 0.299 447 S C 0.719 175.402 174.600 0.139 0.000 1.105 447 S CA -0.775 57.527 58.200 0.169 0.000 1.018 447 S CB 1.272 64.561 63.200 0.147 0.000 1.021 447 S HN 0.804 nan 8.310 nan 0.000 0.483 448 T N 2.016 116.601 114.554 0.051 0.000 3.163 448 T HA 0.111 4.460 4.350 -0.002 0.000 0.260 448 T C 0.925 175.623 174.700 -0.005 0.000 1.156 448 T CA 0.582 62.692 62.100 0.016 0.000 1.072 448 T CB -0.320 68.544 68.868 -0.007 0.000 0.937 448 T HN 0.534 nan 8.240 nan 0.000 0.528 449 K N 1.432 121.833 120.400 0.001 0.000 2.444 449 K HA 0.229 4.547 4.320 -0.002 0.000 0.193 449 K C 0.478 177.048 176.600 -0.049 0.000 1.024 449 K CA -0.096 56.178 56.287 -0.021 0.000 1.077 449 K CB 0.145 32.640 32.500 -0.010 0.000 0.833 449 K HN 0.275 nan 8.250 nan 0.000 0.517 450 N N 1.031 119.690 118.700 -0.068 0.000 2.417 450 N HA 0.080 4.819 4.740 -0.002 0.000 0.274 450 N C 0.437 175.850 175.510 -0.161 0.000 0.987 450 N CA -0.196 52.759 53.050 -0.159 0.000 0.912 450 N CB 1.041 39.281 38.487 -0.411 0.000 1.177 450 N HN -0.069 nan 8.380 nan 0.000 0.490 451 R N 3.166 123.537 120.500 -0.215 0.000 2.159 451 R HA -0.093 4.245 4.340 -0.002 0.000 0.237 451 R C 0.388 176.425 176.300 -0.439 0.000 1.131 451 R CA 1.466 57.356 56.100 -0.351 0.000 0.982 451 R CB -0.100 29.911 30.300 -0.482 0.000 0.868 451 R HN 0.536 nan 8.270 nan 0.000 0.453 452 F N -0.740 119.147 119.950 -0.105 0.000 2.387 452 F HA 0.097 4.623 4.527 -0.002 0.000 0.294 452 F C 2.098 177.914 175.800 0.028 0.000 1.093 452 F CA 0.828 58.797 58.000 -0.050 0.000 1.420 452 F CB -0.428 38.541 39.000 -0.052 0.000 1.086 452 F HN 0.132 nan 8.300 nan 0.000 0.531 453 H N -0.448 118.686 119.070 0.107 0.000 2.387 453 H HA -0.079 4.476 4.556 -0.002 0.000 0.299 453 H C 2.293 177.593 175.328 -0.047 0.000 1.090 453 H CA 0.781 56.834 56.048 0.008 0.000 1.332 453 H CB -0.037 29.721 29.762 -0.007 0.000 1.386 453 H HN 0.136 nan 8.280 nan 0.000 0.516 454 R N 0.264 120.799 120.500 0.060 0.000 2.094 454 R HA -0.120 4.219 4.340 -0.002 0.000 0.239 454 R C -0.581 175.702 176.300 -0.028 0.000 1.137 454 R CA 1.783 57.879 56.100 -0.006 0.000 0.943 454 R CB -1.149 29.124 30.300 -0.044 0.000 0.850 454 R HN 0.414 nan 8.270 nan 0.000 0.433 455 P HA -0.109 nan 4.420 nan 0.000 0.223 455 P C 1.138 178.400 177.300 -0.063 0.000 1.151 455 P CA 1.103 64.184 63.100 -0.032 0.000 0.787 455 P CB -0.066 31.628 31.700 -0.009 0.000 0.788 456 I N -0.474 120.039 120.570 -0.096 0.000 2.286 456 I HA -0.118 4.051 4.170 -0.002 0.000 0.245 456 I C 2.564 178.517 176.117 -0.274 0.000 1.104 456 I CA 0.823 61.961 61.300 -0.271 0.000 1.397 456 I CB -1.552 36.202 38.000 -0.410 0.000 1.072 456 I HN -0.054 nan 8.210 nan 0.000 0.417 457 L N 0.441 121.563 121.223 -0.169 0.000 2.079 457 L HA -0.249 4.090 4.340 -0.002 0.000 0.210 457 L C 2.206 179.008 176.870 -0.114 0.000 1.081 457 L CA 1.266 56.025 54.840 -0.136 0.000 0.752 457 L CB -0.570 41.441 42.059 -0.080 0.000 0.896 457 L HN 0.211 nan 8.230 nan 0.000 0.433 458 D N -0.028 120.316 120.400 -0.092 0.000 2.097 458 D HA -0.186 4.453 4.640 -0.002 0.000 0.195 458 D C 2.125 178.379 176.300 -0.077 0.000 0.989 458 D CA 1.198 55.155 54.000 -0.072 0.000 0.827 458 D CB -0.082 40.688 40.800 -0.049 0.000 0.966 458 D HN 0.374 nan 8.370 nan 0.000 0.456 459 E N 0.069 120.214 120.200 -0.092 0.000 2.110 459 E HA -0.107 4.242 4.350 -0.002 0.000 0.193 459 E C 2.347 178.881 176.600 -0.110 0.000 0.988 459 E CA 0.388 56.742 56.400 -0.077 0.000 0.804 459 E CB -0.066 29.611 29.700 -0.038 0.000 0.745 459 E HN 0.258 nan 8.360 nan 0.000 0.458 460 L N 0.510 121.635 121.223 -0.164 0.000 2.093 460 L HA -0.160 4.178 4.340 -0.002 0.000 0.208 460 L C 2.568 179.380 176.870 -0.096 0.000 1.085 460 L CA 0.618 55.364 54.840 -0.156 0.000 0.755 460 L CB -0.248 41.702 42.059 -0.182 0.000 0.904 460 L HN 0.051 nan 8.230 nan 0.000 0.435 461 S N -0.352 115.295 115.700 -0.089 0.000 2.387 461 S HA -0.252 4.217 4.470 -0.002 0.000 0.230 461 S C 1.861 176.421 174.600 -0.066 0.000 1.035 461 S CA 1.645 59.802 58.200 -0.072 0.000 1.014 461 S CB -0.143 63.013 63.200 -0.073 0.000 0.836 461 S HN 0.467 nan 8.310 nan 0.000 0.466 462 E N -0.102 120.060 120.200 -0.063 0.000 2.122 462 E HA -0.039 4.310 4.350 -0.002 0.000 0.190 462 E C 2.243 178.816 176.600 -0.044 0.000 0.977 462 E CA 0.461 56.829 56.400 -0.052 0.000 0.820 462 E CB -0.039 29.638 29.700 -0.039 0.000 0.770 462 E HN 0.144 nan 8.360 nan 0.000 0.462 463 R N 0.968 121.433 120.500 -0.058 0.000 2.105 463 R HA -0.087 4.252 4.340 -0.002 0.000 0.239 463 R C 1.457 177.753 176.300 -0.006 0.000 1.135 463 R CA 1.392 57.460 56.100 -0.053 0.000 0.967 463 R CB -0.158 30.060 30.300 -0.136 0.000 0.861 463 R HN 0.149 nan 8.270 nan 0.000 0.442 464 L N -0.021 121.206 121.223 0.006 0.000 2.728 464 L HA 0.463 4.802 4.340 -0.002 0.000 0.238 464 L C 0.335 177.244 176.870 0.065 0.000 1.143 464 L CA -0.210 54.672 54.840 0.070 0.000 0.937 464 L CB 0.294 42.419 42.059 0.110 0.000 1.225 464 L HN 0.116 nan 8.230 nan 0.000 0.507 465 A N 0.169 122.990 122.820 0.001 0.000 2.520 465 A HA 0.128 4.447 4.320 -0.002 0.000 0.235 465 A C -0.269 177.305 177.584 -0.016 0.000 1.065 465 A CA -0.166 51.845 52.037 -0.043 0.000 0.764 465 A CB 0.001 18.937 19.000 -0.106 0.000 1.002 465 A HN 0.157 nan 8.150 nan 0.000 0.502 466 D N 1.500 121.876 120.400 -0.040 0.000 2.345 466 D HA 0.235 4.874 4.640 -0.002 0.000 0.247 466 D C -0.041 176.215 176.300 -0.074 0.000 1.108 466 D CA 0.362 54.369 54.000 0.013 0.000 0.894 466 D CB 0.686 41.571 40.800 0.142 0.000 1.203 466 D HN 0.396 nan 8.370 nan 0.000 0.430 467 K N 1.435 121.830 120.400 -0.008 0.000 2.297 467 K HA 0.245 4.564 4.320 -0.002 0.000 0.286 467 K C -0.624 175.993 176.600 0.030 0.000 1.053 467 K CA -0.368 55.851 56.287 -0.113 0.000 0.940 467 K CB 0.679 33.080 32.500 -0.165 0.000 1.019 467 K HN 0.201 nan 8.250 nan 0.000 0.475 468 F N 3.173 122.889 119.950 -0.391 0.000 2.426 468 F HA 0.348 4.874 4.527 -0.002 0.000 0.348 468 F C -0.211 175.360 175.800 -0.381 0.000 1.124 468 F CA -1.450 56.340 58.000 -0.349 0.000 1.008 468 F CB 0.584 39.439 39.000 -0.241 0.000 1.139 468 F HN 0.325 nan 8.300 nan 0.000 0.452 469 F N 3.216 123.143 119.950 -0.039 0.000 2.411 469 F HA 0.506 5.032 4.527 -0.002 0.000 0.355 469 F C 0.099 175.925 175.800 0.043 0.000 1.117 469 F CA -0.812 57.193 58.000 0.009 0.000 1.139 469 F CB 1.047 40.019 39.000 -0.047 0.000 1.120 469 F HN -0.012 nan 8.300 nan 0.000 0.493 470 V N 2.783 122.879 119.914 0.304 0.000 2.472 470 V HA 0.206 4.325 4.120 -0.002 0.000 0.290 470 V C 0.043 176.332 176.094 0.325 0.000 1.037 470 V CA -1.014 61.486 62.300 0.334 0.000 0.908 470 V CB 1.687 33.794 31.823 0.473 0.000 0.985 470 V HN 0.631 nan 8.190 nan 0.000 0.454 471 N N 4.921 123.757 118.700 0.227 0.000 3.050 471 N HA 0.299 5.038 4.740 -0.002 0.000 0.289 471 N C -0.872 174.682 175.510 0.075 0.000 1.209 471 N CA -0.118 53.008 53.050 0.127 0.000 1.154 471 N CB -0.559 37.993 38.487 0.108 0.000 1.444 471 N HN 0.629 nan 8.380 nan 0.000 0.529 472 F N -1.089 118.724 119.950 -0.227 0.000 2.773 472 F HA 0.508 5.034 4.527 -0.002 0.000 0.314 472 F C -1.214 174.436 175.800 -0.250 0.000 1.160 472 F CA -1.204 56.569 58.000 -0.379 0.000 0.920 472 F CB 0.780 39.527 39.000 -0.421 0.000 1.323 472 F HN -0.036 nan 8.300 nan 0.000 0.457 473 S N 2.628 117.989 115.700 -0.565 0.000 2.478 473 S HA 0.373 4.842 4.470 -0.002 0.000 0.312 473 S C 0.298 174.497 174.600 -0.669 0.000 1.094 473 S CA -0.704 57.137 58.200 -0.599 0.000 1.081 473 S CB 1.506 64.652 63.200 -0.091 0.000 1.007 473 S HN 0.997 nan 8.310 nan 0.000 0.475 474 L N 5.022 125.724 121.223 -0.868 0.000 2.093 474 L HA 0.082 4.421 4.340 -0.002 0.000 0.208 474 L C 1.387 177.993 176.870 -0.440 0.000 1.085 474 L CA 1.798 56.281 54.840 -0.595 0.000 0.755 474 L CB -0.343 41.336 42.059 -0.633 0.000 0.904 474 L HN 0.806 nan 8.230 nan 0.000 0.435 475 F N -0.285 119.543 119.950 -0.203 0.000 2.216 475 F HA -0.209 4.316 4.527 -0.002 0.000 0.300 475 F C 2.655 178.387 175.800 -0.113 0.000 1.085 475 F CA 1.294 59.173 58.000 -0.202 0.000 1.326 475 F CB -0.633 38.211 39.000 -0.260 0.000 1.027 475 F HN 0.223 nan 8.300 nan 0.000 0.497 476 Q N 0.214 120.072 119.800 0.097 0.000 2.062 476 Q HA -0.059 4.280 4.340 -0.002 0.000 0.196 476 Q C 1.885 177.898 176.000 0.022 0.000 0.967 476 Q CA 2.149 58.002 55.803 0.084 0.000 0.832 476 Q CB -0.197 28.631 28.738 0.149 0.000 0.899 476 Q HN 0.205 nan 8.270 nan 0.000 0.442 477 S N -1.328 114.350 115.700 -0.036 0.000 2.524 477 S HA 0.254 4.723 4.470 -0.002 0.000 0.222 477 S C -0.115 174.391 174.600 -0.157 0.000 1.040 477 S CA -0.195 57.959 58.200 -0.077 0.000 0.915 477 S CB 0.788 63.943 63.200 -0.074 0.000 0.831 477 S HN 0.194 nan 8.310 nan 0.000 0.492 478 L N 2.385 123.517 121.223 -0.152 0.000 3.059 478 L HA 0.378 4.717 4.340 -0.002 0.000 0.298 478 L C -1.943 174.912 176.870 -0.025 0.000 1.304 478 L CA -1.687 53.036 54.840 -0.194 0.000 0.855 478 L CB 0.969 42.897 42.059 -0.218 0.000 1.266 478 L HN -0.058 nan 8.230 nan 0.000 0.572 479 P HA -0.196 nan 4.420 nan 0.000 0.216 479 P C 0.683 178.131 177.300 0.246 0.000 1.150 479 P CA 1.335 64.525 63.100 0.149 0.000 0.843 479 P CB 0.476 32.273 31.700 0.163 0.000 0.787 480 D N -0.806 119.713 120.400 0.199 0.000 2.263 480 D HA -0.089 4.550 4.640 -0.002 0.000 0.208 480 D C 2.180 178.547 176.300 0.111 0.000 0.971 480 D CA 0.815 54.901 54.000 0.143 0.000 0.867 480 D CB -0.522 40.360 40.800 0.137 0.000 0.929 480 D HN 0.139 nan 8.370 nan 0.000 0.492 481 S N -0.587 115.245 115.700 0.220 0.000 2.348 481 S HA -0.167 4.302 4.470 -0.002 0.000 0.221 481 S C 1.785 176.418 174.600 0.056 0.000 1.033 481 S CA 1.242 59.527 58.200 0.142 0.000 1.010 481 S CB -0.372 62.942 63.200 0.191 0.000 0.891 481 S HN 0.482 nan 8.310 nan 0.000 0.442 482 W N 1.867 123.093 121.300 -0.124 0.000 2.333 482 W HA 0.014 4.673 4.660 -0.002 0.000 0.316 482 W C 2.180 178.661 176.519 -0.064 0.000 1.215 482 W CA 1.749 59.013 57.345 -0.135 0.000 1.278 482 W CB -1.022 28.299 29.460 -0.231 0.000 1.154 482 W HN 0.309 nan 8.180 nan 0.000 0.486 483 G N 0.324 108.977 108.800 -0.246 0.000 2.539 483 G HA2 -0.027 3.932 3.960 -0.002 0.000 0.215 483 G HA3 -0.027 3.932 3.960 -0.002 0.000 0.215 483 G C 1.194 175.873 174.900 -0.369 0.000 1.141 483 G CA 0.976 45.717 45.100 -0.598 0.000 0.806 483 G HN 0.534 nan 8.290 nan 0.000 0.533 484 I N -4.417 116.019 120.570 -0.223 0.000 4.160 484 I HA 0.321 4.490 4.170 -0.002 0.000 0.325 484 I C -0.378 175.628 176.117 -0.185 0.000 1.455 484 I CA -0.295 60.887 61.300 -0.197 0.000 1.142 484 I CB 0.563 38.462 38.000 -0.168 0.000 1.262 484 I HN -0.204 nan 8.210 nan 0.000 0.483 485 D N 1.686 121.980 120.400 -0.176 0.000 2.911 485 D HA -0.236 4.403 4.640 -0.002 0.000 0.227 485 D C 0.478 176.654 176.300 -0.206 0.000 1.164 485 D CA 1.157 55.061 54.000 -0.160 0.000 0.782 485 D CB -0.834 39.878 40.800 -0.146 0.000 1.094 485 D HN 0.661 nan 8.370 nan 0.000 0.425 486 Q N 0.447 120.093 119.800 -0.257 0.000 2.263 486 Q HA 0.258 4.596 4.340 -0.002 0.000 0.289 486 Q C -0.533 175.141 176.000 -0.542 0.000 1.061 486 Q CA 0.144 55.660 55.803 -0.479 0.000 0.927 486 Q CB 0.918 29.330 28.738 -0.543 0.000 1.154 486 Q HN 0.125 nan 8.270 nan 0.000 0.378 487 V N 5.599 125.153 119.914 -0.599 0.000 2.644 487 V HA 0.507 4.625 4.120 -0.002 0.000 0.295 487 V C -0.588 175.072 176.094 -0.724 0.000 1.053 487 V CA -0.214 61.807 62.300 -0.465 0.000 0.987 487 V CB 0.637 32.290 31.823 -0.284 0.000 1.006 487 V HN 0.727 nan 8.190 nan 0.000 0.472 488 F N 3.396 123.270 119.950 -0.127 0.000 2.569 488 F HA 0.516 5.042 4.527 -0.002 0.000 0.312 488 F C -2.361 173.328 175.800 -0.185 0.000 1.109 488 F CA -2.394 55.551 58.000 -0.091 0.000 0.919 488 F CB 1.835 40.828 39.000 -0.013 0.000 1.211 488 F HN 0.304 nan 8.300 nan 0.000 0.446 489 P HA 0.210 nan 4.420 nan 0.000 0.268 489 P C -1.089 176.145 177.300 -0.110 0.000 1.204 489 P CA -0.033 62.829 63.100 -0.397 0.000 0.768 489 P CB 0.786 31.660 31.700 -1.376 0.000 0.842 490 V N 4.979 124.842 119.914 -0.084 0.000 2.569 490 V HA 0.467 4.586 4.120 -0.002 0.000 0.301 490 V C -0.274 175.758 176.094 -0.102 0.000 1.044 490 V CA -0.398 61.776 62.300 -0.209 0.000 0.874 490 V CB 1.568 33.242 31.823 -0.249 0.000 1.002 490 V HN 0.366 nan 8.190 nan 0.000 0.424 491 L N 5.514 126.683 121.223 -0.090 0.000 2.466 491 L HA 0.566 4.905 4.340 -0.002 0.000 0.258 491 L C -2.817 174.033 176.870 -0.032 0.000 0.973 491 L CA -1.960 52.831 54.840 -0.082 0.000 0.826 491 L CB 3.325 45.278 42.059 -0.177 0.000 1.372 491 L HN 0.383 nan 8.230 nan 0.000 0.409 492 P HA 0.120 nan 4.420 nan 0.000 0.269 492 P C 0.451 177.729 177.300 -0.036 0.000 1.209 492 P CA -0.118 62.996 63.100 0.023 0.000 0.776 492 P CB 0.728 32.450 31.700 0.035 0.000 0.876 493 L N -0.202 121.000 121.223 -0.035 0.000 2.375 493 L HA 0.093 4.432 4.340 -0.002 0.000 0.215 493 L C 0.960 177.820 176.870 -0.016 0.000 1.108 493 L CA 1.117 55.961 54.840 0.007 0.000 0.830 493 L CB -0.087 41.993 42.059 0.035 0.000 0.959 493 L HN 0.362 nan 8.230 nan 0.000 0.457 494 S N -1.848 113.805 115.700 -0.079 0.000 2.661 494 S HA 0.599 5.068 4.470 -0.002 0.000 0.285 494 S C 0.445 174.996 174.600 -0.082 0.000 1.138 494 S CA -0.001 58.160 58.200 -0.064 0.000 0.855 494 S CB 1.862 65.013 63.200 -0.082 0.000 1.136 494 S HN 0.322 nan 8.310 nan 0.000 0.484 495 G N 0.766 109.544 108.800 -0.036 0.000 2.203 495 G HA2 -0.214 3.744 3.960 -0.002 0.000 0.263 495 G HA3 -0.214 3.744 3.960 -0.002 0.000 0.263 495 G C 0.468 175.385 174.900 0.028 0.000 1.012 495 G CA 0.622 45.713 45.100 -0.015 0.000 0.749 495 G HN 0.597 nan 8.290 nan 0.000 0.512 496 L N 0.419 121.672 121.223 0.051 0.000 2.465 496 L HA -0.078 4.261 4.340 -0.002 0.000 0.224 496 L C 3.073 180.007 176.870 0.107 0.000 1.145 496 L CA 1.296 56.205 54.840 0.114 0.000 0.834 496 L CB -0.342 41.806 42.059 0.148 0.000 0.944 496 L HN 0.577 nan 8.230 nan 0.000 0.451 497 Q N 0.828 120.671 119.800 0.071 0.000 2.197 497 Q HA -0.254 4.085 4.340 -0.002 0.000 0.207 497 Q C 0.781 176.815 176.000 0.057 0.000 0.984 497 Q CA 2.007 57.844 55.803 0.057 0.000 0.869 497 Q CB -0.990 27.773 28.738 0.041 0.000 0.906 497 Q HN 0.618 nan 8.270 nan 0.000 0.426 498 N N 0.773 119.514 118.700 0.068 0.000 2.314 498 N HA 0.309 5.047 4.740 -0.002 0.000 0.200 498 N C 1.120 176.682 175.510 0.087 0.000 1.135 498 N CA 0.311 53.405 53.050 0.073 0.000 0.835 498 N CB 0.276 38.811 38.487 0.081 0.000 0.989 498 N HN 0.374 nan 8.380 nan 0.000 0.478 499 A N 0.771 123.646 122.820 0.091 0.000 2.234 499 A HA -0.008 4.311 4.320 -0.002 0.000 0.216 499 A C 2.110 179.704 177.584 0.016 0.000 1.167 499 A CA 1.165 53.258 52.037 0.093 0.000 0.698 499 A CB -0.337 18.736 19.000 0.122 0.000 0.779 499 A HN 0.379 nan 8.150 nan 0.000 0.475 500 A N -0.808 122.017 122.820 0.008 0.000 2.251 500 A HA 0.130 4.449 4.320 -0.002 0.000 0.209 500 A C 1.417 179.012 177.584 0.018 0.000 1.187 500 A CA 0.903 52.933 52.037 -0.011 0.000 0.823 500 A CB -0.257 18.733 19.000 -0.016 0.000 0.846 500 A HN 0.384 nan 8.150 nan 0.000 0.486 501 D N 0.326 120.760 120.400 0.056 0.000 2.078 501 D HA -0.038 4.601 4.640 -0.002 0.000 0.193 501 D C 1.057 177.405 176.300 0.080 0.000 0.990 501 D CA 1.172 55.221 54.000 0.083 0.000 0.827 501 D CB 0.155 41.033 40.800 0.131 0.000 0.975 501 D HN 0.321 nan 8.370 nan 0.000 0.451 502 R N -0.738 119.807 120.500 0.076 0.000 2.885 502 R HA 0.528 4.867 4.340 -0.002 0.000 0.260 502 R C -0.217 176.069 176.300 -0.023 0.000 1.107 502 R CA -0.713 55.420 56.100 0.054 0.000 0.978 502 R CB 1.363 31.724 30.300 0.102 0.000 1.227 502 R HN -0.114 nan 8.270 nan 0.000 0.473 503 R N -0.274 120.183 120.500 -0.071 0.000 2.803 503 R HA 0.833 5.172 4.340 -0.002 0.000 0.276 503 R C -0.927 175.211 176.300 -0.270 0.000 0.978 503 R CA -0.802 55.202 56.100 -0.160 0.000 0.939 503 R CB 2.377 32.599 30.300 -0.129 0.000 1.179 503 R HN 0.796 nan 8.270 nan 0.000 0.472 504 A N 1.045 123.611 122.820 -0.424 0.000 2.594 504 A HA 0.650 4.968 4.320 -0.002 0.000 0.291 504 A C -1.023 176.196 177.584 -0.608 0.000 1.105 504 A CA -0.685 50.985 52.037 -0.613 0.000 0.694 504 A CB 1.630 19.902 19.000 -1.214 0.000 1.291 504 A HN 0.443 nan 8.150 nan 0.000 0.410 505 V N -1.242 118.394 119.914 -0.462 0.000 2.769 505 V HA 0.850 4.969 4.120 -0.002 0.000 0.312 505 V C -0.527 175.488 176.094 -0.131 0.000 1.061 505 V CA -1.041 61.090 62.300 -0.281 0.000 0.931 505 V CB 1.797 33.569 31.823 -0.086 0.000 1.010 505 V HN 0.784 nan 8.190 nan 0.000 0.433 506 M N 4.588 124.263 119.600 0.124 0.000 2.209 506 M HA 0.663 5.142 4.480 -0.002 0.000 0.355 506 M C -0.944 175.429 176.300 0.123 0.000 1.171 506 M CA -0.465 54.937 55.300 0.170 0.000 1.069 506 M CB 0.761 33.560 32.600 0.332 0.000 1.622 506 M HN 0.672 nan 8.290 nan 0.000 0.459 507 L N 2.435 123.664 121.223 0.009 0.000 2.381 507 L HA 0.493 4.831 4.340 -0.002 0.000 0.268 507 L C 0.140 177.075 176.870 0.109 0.000 0.997 507 L CA -0.779 54.048 54.840 -0.021 0.000 0.818 507 L CB 1.735 43.625 42.059 -0.282 0.000 1.310 507 L HN 0.651 nan 8.230 nan 0.000 0.416 508 D N 1.341 121.777 120.400 0.060 0.000 2.478 508 D HA 0.234 4.873 4.640 -0.002 0.000 0.269 508 D C 0.586 176.913 176.300 0.045 0.000 1.232 508 D CA -0.334 53.622 54.000 -0.074 0.000 1.059 508 D CB 0.809 41.264 40.800 -0.575 0.000 1.104 508 D HN 0.473 nan 8.370 nan 0.000 0.566 509 I N -3.177 117.342 120.570 -0.085 0.000 3.904 509 I HA 0.217 4.386 4.170 -0.002 0.000 0.333 509 I C 0.631 176.746 176.117 -0.003 0.000 1.361 509 I CA -0.561 60.730 61.300 -0.015 0.000 1.116 509 I CB -0.585 37.376 38.000 -0.065 0.000 1.028 509 I HN 0.325 nan 8.210 nan 0.000 0.398 510 T N -1.427 113.137 114.554 0.018 0.000 2.899 510 T HA 0.140 4.489 4.350 -0.002 0.000 0.295 510 T C 1.247 176.012 174.700 0.110 0.000 1.033 510 T CA -0.154 62.028 62.100 0.137 0.000 1.084 510 T CB 1.229 70.197 68.868 0.166 0.000 0.979 510 T HN 0.458 nan 8.240 nan 0.000 0.532 511 C N 0.626 119.953 119.300 0.046 0.000 2.525 511 C HA 0.195 4.654 4.460 -0.002 0.000 0.279 511 C C 0.620 175.646 174.990 0.060 0.000 1.437 511 C CA -0.803 58.236 59.018 0.035 0.000 1.704 511 C CB -1.727 26.002 27.740 -0.018 0.000 1.672 511 C HN 0.864 nan 8.230 nan 0.000 0.582 512 D N 0.965 121.427 120.400 0.102 0.000 2.225 512 D HA 0.172 4.811 4.640 -0.002 0.000 0.248 512 D C 0.746 177.174 176.300 0.215 0.000 1.096 512 D CA 0.215 54.315 54.000 0.166 0.000 0.863 512 D CB 1.797 42.727 40.800 0.217 0.000 1.156 512 D HN 0.231 nan 8.370 nan 0.000 0.450 513 S N 2.181 117.988 115.700 0.179 0.000 2.481 513 S HA -0.084 4.385 4.470 -0.002 0.000 0.231 513 S C 1.035 175.749 174.600 0.190 0.000 0.996 513 S CA 0.316 58.614 58.200 0.162 0.000 0.942 513 S CB 0.123 63.394 63.200 0.119 0.000 0.768 513 S HN 0.509 nan 8.310 nan 0.000 0.520 514 D N 1.201 121.770 120.400 0.281 0.000 2.371 514 D HA 0.001 4.640 4.640 -0.002 0.000 0.221 514 D C 1.147 177.570 176.300 0.205 0.000 0.986 514 D CA 0.210 54.401 54.000 0.318 0.000 0.899 514 D CB -0.128 40.984 40.800 0.520 0.000 0.902 514 D HN 0.353 nan 8.370 nan 0.000 0.530 515 G N 0.718 109.656 108.800 0.231 0.000 3.213 515 G HA2 0.412 4.371 3.960 -0.002 0.000 0.263 515 G HA3 0.412 4.371 3.960 -0.002 0.000 0.263 515 G C -0.216 174.694 174.900 0.016 0.000 0.829 515 G CA -0.056 45.066 45.100 0.037 0.000 1.983 515 G HN 0.177 nan 8.290 nan 0.000 0.616 516 A N 1.914 124.740 122.820 0.010 0.000 2.540 516 A HA 0.606 4.925 4.320 -0.002 0.000 0.297 516 A C -0.612 176.998 177.584 0.043 0.000 1.056 516 A CA -0.685 51.381 52.037 0.048 0.000 0.700 516 A CB 1.229 20.262 19.000 0.055 0.000 1.280 516 A HN 0.251 nan 8.150 nan 0.000 0.398 517 I N 2.375 122.990 120.570 0.074 0.000 2.441 517 I HA 0.187 4.356 4.170 -0.002 0.000 0.287 517 I C 0.171 176.221 176.117 -0.111 0.000 1.049 517 I CA 0.080 61.354 61.300 -0.043 0.000 1.381 517 I CB 0.774 38.702 38.000 -0.120 0.000 1.409 517 I HN 0.728 nan 8.210 nan 0.000 0.523 518 D N 4.102 124.402 120.400 -0.166 0.000 2.324 518 D HA 0.145 4.784 4.640 -0.002 0.000 0.212 518 D C 0.620 176.818 176.300 -0.169 0.000 0.984 518 D CA 0.703 54.646 54.000 -0.095 0.000 0.885 518 D CB 0.921 41.686 40.800 -0.058 0.000 0.996 518 D HN 0.611 nan 8.370 nan 0.000 0.505 519 A N 0.372 122.968 122.820 -0.374 0.000 2.355 519 A HA 0.583 4.901 4.320 -0.002 0.000 0.317 519 A C -1.516 175.716 177.584 -0.588 0.000 1.094 519 A CA -0.551 51.305 52.037 -0.302 0.000 0.764 519 A CB 0.931 19.830 19.000 -0.168 0.000 1.230 519 A HN -0.047 nan 8.150 nan 0.000 0.448 520 Y N 0.716 121.012 120.300 -0.007 0.000 2.446 520 Y HA 0.508 5.057 4.550 -0.002 0.000 0.338 520 Y C 0.155 176.058 175.900 0.006 0.000 1.055 520 Y CA -0.908 57.192 58.100 -0.001 0.000 1.101 520 Y CB 2.060 40.521 38.460 0.003 0.000 1.221 520 Y HN 0.364 nan 8.280 nan 0.000 0.460 521 V N 4.070 124.056 119.914 0.120 0.000 2.364 521 V HA 0.265 4.384 4.120 -0.002 0.000 0.272 521 V C -0.428 175.790 176.094 0.207 0.000 1.036 521 V CA -0.407 61.956 62.300 0.105 0.000 0.880 521 V CB 0.387 32.198 31.823 -0.021 0.000 0.991 521 V HN 0.885 nan 8.190 nan 0.000 0.460 522 D N 3.753 124.275 120.400 0.203 0.000 2.784 522 D HA 0.387 5.026 4.640 -0.002 0.000 0.256 522 D C 1.440 177.852 176.300 0.187 0.000 1.129 522 D CA 0.094 54.232 54.000 0.230 0.000 1.102 522 D CB 0.823 41.713 40.800 0.151 0.000 1.330 522 D HN 0.351 nan 8.370 nan 0.000 0.626 523 G N -0.458 108.414 108.800 0.120 0.000 2.513 523 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.219 523 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.219 523 G C 1.228 176.218 174.900 0.149 0.000 1.160 523 G CA 1.914 47.074 45.100 0.100 0.000 0.767 523 G HN 0.668 nan 8.290 nan 0.000 0.571 524 Q N -0.157 119.705 119.800 0.102 0.000 2.280 524 Q HA 0.497 4.836 4.340 -0.002 0.000 0.201 524 Q C 0.958 177.007 176.000 0.081 0.000 0.890 524 Q CA 0.716 56.572 55.803 0.089 0.000 0.947 524 Q CB 0.352 29.119 28.738 0.047 0.000 1.081 524 Q HN 0.775 nan 8.270 nan 0.000 0.502 525 G N 0.580 109.445 108.800 0.108 0.000 2.395 525 G HA2 -0.132 3.827 3.960 -0.002 0.000 0.201 525 G HA3 -0.132 3.827 3.960 -0.002 0.000 0.201 525 G C -1.104 173.844 174.900 0.080 0.000 1.206 525 G CA -0.536 44.618 45.100 0.089 0.000 1.210 525 G HN 0.229 nan 8.290 nan 0.000 0.557 526 I N 2.670 123.270 120.570 0.051 0.000 2.396 526 I HA 0.378 4.547 4.170 -0.002 0.000 0.289 526 I C 0.282 176.434 176.117 0.059 0.000 1.056 526 I CA -0.108 61.220 61.300 0.046 0.000 1.365 526 I CB 0.983 38.988 38.000 0.008 0.000 1.407 526 I HN 0.370 nan 8.210 nan 0.000 0.509 527 E N 3.768 124.029 120.200 0.102 0.000 2.355 527 E HA 0.314 4.663 4.350 -0.002 0.000 0.261 527 E C 0.098 176.807 176.600 0.182 0.000 0.943 527 E CA -0.472 55.987 56.400 0.098 0.000 0.806 527 E CB 1.750 31.491 29.700 0.068 0.000 1.286 527 E HN 0.558 nan 8.360 nan 0.000 0.424 528 S N -1.226 114.555 115.700 0.135 0.000 2.540 528 S HA 0.129 4.597 4.470 -0.002 0.000 0.218 528 S C 0.616 175.304 174.600 0.148 0.000 0.977 528 S CA -0.085 58.224 58.200 0.183 0.000 0.918 528 S CB 0.353 63.601 63.200 0.080 0.000 0.806 528 S HN 0.398 nan 8.310 nan 0.000 0.496 529 T N 0.846 115.386 114.554 -0.023 0.000 2.843 529 T HA 0.649 4.998 4.350 -0.002 0.000 0.302 529 T C -2.277 172.176 174.700 -0.411 0.000 1.232 529 T CA -0.641 61.249 62.100 -0.350 0.000 1.009 529 T CB 1.584 70.317 68.868 -0.224 0.000 1.254 529 T HN 0.235 nan 8.240 nan 0.000 0.504 530 L N 4.224 125.100 121.223 -0.577 0.000 2.362 530 L HA 0.766 5.105 4.340 -0.002 0.000 0.275 530 L C -2.574 174.178 176.870 -0.198 0.000 0.998 530 L CA -2.054 52.600 54.840 -0.311 0.000 0.820 530 L CB 2.065 43.910 42.059 -0.358 0.000 1.270 530 L HN 0.360 nan 8.230 nan 0.000 0.415 531 P HA 0.375 nan 4.420 nan 0.000 0.275 531 P C -1.398 175.922 177.300 0.033 0.000 1.227 531 P CA -0.143 62.905 63.100 -0.087 0.000 0.781 531 P CB 1.286 32.889 31.700 -0.161 0.000 0.906 532 V N -0.480 119.474 119.914 0.067 0.000 3.178 532 V HA 0.614 4.733 4.120 -0.002 0.000 0.302 532 V C -3.038 173.216 176.094 0.266 0.000 1.262 532 V CA -3.119 59.312 62.300 0.219 0.000 1.030 532 V CB 1.608 33.558 31.823 0.211 0.000 1.074 532 V HN 0.180 nan 8.190 nan 0.000 0.438 533 P HA 0.376 nan 4.420 nan 0.000 0.272 533 P C -0.077 177.519 177.300 0.494 0.000 1.223 533 P CA 0.468 63.766 63.100 0.331 0.000 0.784 533 P CB 0.520 32.357 31.700 0.229 0.000 0.923 534 A N 2.549 125.588 122.820 0.364 0.000 2.520 534 A HA 0.074 4.392 4.320 -0.002 0.000 0.235 534 A C -0.461 177.415 177.584 0.487 0.000 1.065 534 A CA -0.028 52.238 52.037 0.383 0.000 0.764 534 A CB -0.412 18.735 19.000 0.245 0.000 1.002 534 A HN 0.626 nan 8.150 nan 0.000 0.502 535 W N 2.128 123.531 121.300 0.172 0.000 2.313 535 W HA 0.473 5.132 4.660 -0.002 0.000 0.328 535 W C -0.375 176.164 176.519 0.034 0.000 1.197 535 W CA -0.218 57.105 57.345 -0.037 0.000 1.235 535 W CB 0.857 30.012 29.460 -0.508 0.000 1.158 535 W HN 0.622 nan 8.180 nan 0.000 0.578 536 N N 3.437 121.815 118.700 -0.536 0.000 2.346 536 N HA 0.013 4.752 4.740 -0.002 0.000 0.289 536 N C 0.724 175.527 175.510 -1.179 0.000 1.027 536 N CA -0.203 52.519 53.050 -0.547 0.000 0.864 536 N CB 1.852 40.165 38.487 -0.290 0.000 1.370 536 N HN 0.736 nan 8.380 nan 0.000 0.481 537 E N 0.770 120.412 120.200 -0.930 0.000 2.284 537 E HA -0.208 4.140 4.350 -0.002 0.000 0.200 537 E C -0.286 176.067 176.600 -0.411 0.000 1.008 537 E CA 1.380 57.359 56.400 -0.702 0.000 0.829 537 E CB 0.109 29.722 29.700 -0.146 0.000 0.744 537 E HN 0.453 nan 8.360 nan 0.000 0.491 538 D N 0.892 121.098 120.400 -0.323 0.000 2.360 538 D HA 0.049 4.687 4.640 -0.002 0.000 0.210 538 D C 0.071 176.272 176.300 -0.165 0.000 1.047 538 D CA 0.343 54.234 54.000 -0.181 0.000 0.854 538 D CB 0.265 40.996 40.800 -0.114 0.000 0.936 538 D HN 0.393 nan 8.370 nan 0.000 0.514 539 E N 1.596 121.658 120.200 -0.230 0.000 2.266 539 E HA 0.451 4.799 4.350 -0.002 0.000 0.268 539 E C -2.672 173.858 176.600 -0.118 0.000 0.879 539 E CA -2.064 54.249 56.400 -0.144 0.000 0.762 539 E CB 1.673 31.302 29.700 -0.118 0.000 1.199 539 E HN -0.190 nan 8.360 nan 0.000 0.422 540 P HA -0.021 nan 4.420 nan 0.000 0.268 540 P C -1.387 175.960 177.300 0.078 0.000 1.208 540 P CA 0.189 63.309 63.100 0.033 0.000 0.777 540 P CB 0.217 31.939 31.700 0.037 0.000 0.875 541 Y N 1.852 122.170 120.300 0.030 0.000 2.373 541 Y HA 0.405 4.954 4.550 -0.002 0.000 0.327 541 Y C -0.986 174.980 175.900 0.111 0.000 1.036 541 Y CA -0.738 57.408 58.100 0.078 0.000 1.265 541 Y CB 0.689 39.237 38.460 0.146 0.000 1.108 541 Y HN 0.142 nan 8.280 nan 0.000 0.471 542 L N 5.996 127.291 121.223 0.121 0.000 2.307 542 L HA 0.511 4.850 4.340 -0.002 0.000 0.282 542 L C -0.353 176.594 176.870 0.127 0.000 1.051 542 L CA -0.580 54.339 54.840 0.133 0.000 0.804 542 L CB 1.014 43.111 42.059 0.063 0.000 1.197 542 L HN 0.521 nan 8.230 nan 0.000 0.431 543 M N 1.718 121.401 119.600 0.137 0.000 2.578 543 M HA 0.570 5.049 4.480 -0.002 0.000 0.321 543 M C 0.126 176.376 176.300 -0.084 0.000 1.182 543 M CA -0.413 54.904 55.300 0.028 0.000 0.965 543 M CB 1.811 34.405 32.600 -0.010 0.000 1.694 543 M HN 0.634 nan 8.290 nan 0.000 0.461 544 G N 1.450 110.124 108.800 -0.211 0.000 2.524 544 G HA2 0.785 4.744 3.960 -0.002 0.000 0.310 544 G HA3 0.785 4.744 3.960 -0.002 0.000 0.310 544 G C -1.854 172.682 174.900 -0.606 0.000 1.279 544 G CA -0.351 44.529 45.100 -0.365 0.000 0.974 544 G HN 0.436 nan 8.290 nan 0.000 0.484 545 F N 0.719 120.340 119.950 -0.548 0.000 2.449 545 F HA 0.591 5.117 4.527 -0.002 0.000 0.342 545 F C -0.278 175.206 175.800 -0.526 0.000 1.127 545 F CA -1.019 56.743 58.000 -0.397 0.000 0.975 545 F CB 1.593 40.353 39.000 -0.399 0.000 1.146 545 F HN 0.239 nan 8.300 nan 0.000 0.444 546 F N 2.138 122.009 119.950 -0.132 0.000 2.450 546 F HA 0.590 5.116 4.527 -0.002 0.000 0.328 546 F C 0.614 176.373 175.800 -0.067 0.000 1.068 546 F CA -1.140 56.743 58.000 -0.195 0.000 1.007 546 F CB 1.051 39.831 39.000 -0.367 0.000 1.251 546 F HN 0.281 nan 8.300 nan 0.000 0.492 547 L N 0.235 121.553 121.223 0.158 0.000 3.717 547 L HA -0.194 4.145 4.340 -0.002 0.000 0.414 547 L C 0.676 177.751 176.870 0.342 0.000 1.228 547 L CA 0.159 55.107 54.840 0.180 0.000 0.918 547 L CB -2.078 40.035 42.059 0.091 0.000 1.865 547 L HN 0.597 nan 8.230 nan 0.000 0.922 548 V N -3.925 116.041 119.914 0.086 0.000 3.649 548 V HA 0.276 4.395 4.120 -0.002 0.000 0.275 548 V C 2.049 178.146 176.094 0.006 0.000 1.281 548 V CA 1.127 63.376 62.300 -0.085 0.000 1.143 548 V CB 0.517 32.146 31.823 -0.323 0.000 0.892 548 V HN 0.386 nan 8.190 nan 0.000 0.441 549 G N 0.967 109.804 108.800 0.061 0.000 2.422 549 G HA2 0.123 4.082 3.960 -0.002 0.000 0.218 549 G HA3 0.123 4.082 3.960 -0.002 0.000 0.218 549 G C 0.767 175.779 174.900 0.188 0.000 1.146 549 G CA 0.688 45.831 45.100 0.072 0.000 0.769 549 G HN 1.043 nan 8.290 nan 0.000 0.547 550 A N -1.578 121.377 122.820 0.225 0.000 2.260 550 A HA 0.654 4.973 4.320 -0.002 0.000 0.314 550 A C 0.061 177.808 177.584 0.272 0.000 1.257 550 A CA -0.559 51.572 52.037 0.157 0.000 0.871 550 A CB 0.502 19.614 19.000 0.187 0.000 1.166 550 A HN 0.679 nan 8.150 nan 0.000 0.522 551 Y N -0.181 120.215 120.300 0.162 0.000 4.884 551 Y HA -0.298 4.251 4.550 -0.002 0.000 0.276 551 Y C 1.846 177.807 175.900 0.102 0.000 0.915 551 Y CA 1.325 59.500 58.100 0.126 0.000 1.768 551 Y CB -1.505 37.032 38.460 0.129 0.000 1.172 551 Y HN 0.671 nan 8.280 nan 0.000 0.470 552 Q N 0.726 120.657 119.800 0.219 0.000 2.079 552 Q HA -0.136 4.203 4.340 -0.002 0.000 0.200 552 Q C 1.829 177.871 176.000 0.069 0.000 0.974 552 Q CA 2.087 57.953 55.803 0.105 0.000 0.840 552 Q CB -0.244 28.480 28.738 -0.023 0.000 0.898 552 Q HN 0.733 nan 8.270 nan 0.000 0.430 553 E N -0.044 120.194 120.200 0.064 0.000 2.077 553 E HA -0.143 4.206 4.350 -0.002 0.000 0.193 553 E C 1.700 178.340 176.600 0.068 0.000 0.989 553 E CA 0.849 57.280 56.400 0.052 0.000 0.800 553 E CB -0.084 29.642 29.700 0.045 0.000 0.746 553 E HN 0.179 nan 8.360 nan 0.000 0.452 554 I N 0.357 120.980 120.570 0.089 0.000 3.419 554 I HA -0.037 4.132 4.170 -0.002 0.000 0.286 554 I C 1.472 177.647 176.117 0.097 0.000 1.268 554 I CA 0.513 61.864 61.300 0.085 0.000 1.414 554 I CB 0.379 38.428 38.000 0.082 0.000 1.074 554 I HN 0.036 nan 8.210 nan 0.000 0.457 555 L N 0.040 121.334 121.223 0.117 0.000 2.529 555 L HA 0.258 4.597 4.340 -0.002 0.000 0.223 555 L C 1.363 178.291 176.870 0.098 0.000 1.113 555 L CA 0.076 54.987 54.840 0.119 0.000 0.861 555 L CB -0.737 41.410 42.059 0.147 0.000 1.012 555 L HN 0.298 nan 8.230 nan 0.000 0.461 556 G N 0.770 109.618 108.800 0.080 0.000 2.559 556 G HA2 0.190 4.149 3.960 -0.002 0.000 0.235 556 G HA3 0.190 4.149 3.960 -0.002 0.000 0.235 556 G C -0.802 174.136 174.900 0.063 0.000 1.266 556 G CA -0.044 45.097 45.100 0.069 0.000 0.847 556 G HN 0.393 nan 8.290 nan 0.000 0.583 557 D N -0.812 119.624 120.400 0.061 0.000 2.652 557 D HA 0.333 4.972 4.640 -0.002 0.000 0.285 557 D C 0.564 176.901 176.300 0.061 0.000 1.173 557 D CA -0.875 53.151 54.000 0.042 0.000 0.981 557 D CB 0.682 41.479 40.800 -0.005 0.000 1.440 557 D HN 0.160 nan 8.370 nan 0.000 0.485 558 M N 0.247 119.869 119.600 0.037 0.000 2.626 558 M HA 0.155 4.634 4.480 -0.002 0.000 0.262 558 M C -0.007 176.295 176.300 0.003 0.000 1.256 558 M CA -0.328 54.994 55.300 0.036 0.000 0.981 558 M CB -1.619 31.002 32.600 0.035 0.000 1.492 558 M HN 0.476 nan 8.290 nan 0.000 0.474 559 H N 2.760 121.740 119.070 -0.150 0.000 3.094 559 H HA -0.020 4.535 4.556 -0.002 0.000 0.320 559 H C 0.799 176.017 175.328 -0.182 0.000 1.000 559 H CA 1.664 57.545 56.048 -0.279 0.000 1.413 559 H CB 0.341 29.731 29.762 -0.621 0.000 1.405 559 H HN 0.363 nan 8.280 nan 0.000 0.586 560 N N 3.133 121.509 118.700 -0.540 0.000 2.778 560 N HA -0.238 4.501 4.740 -0.002 0.000 0.249 560 N C 0.188 175.375 175.510 -0.539 0.000 1.069 560 N CA 1.171 53.919 53.050 -0.504 0.000 0.831 560 N CB -1.038 37.218 38.487 -0.384 0.000 1.142 560 N HN 0.787 nan 8.380 nan 0.000 0.573 561 L N -3.402 117.600 121.223 -0.367 0.000 4.089 561 L HA -0.285 4.053 4.340 -0.002 0.000 0.408 561 L C -0.511 176.067 176.870 -0.486 0.000 1.184 561 L CA 0.546 55.167 54.840 -0.365 0.000 0.947 561 L CB -1.955 39.881 42.059 -0.371 0.000 2.066 561 L HN 0.050 nan 8.230 nan 0.000 0.851 562 F N 0.753 120.542 119.950 -0.270 0.000 2.424 562 F HA 0.534 5.060 4.527 -0.002 0.000 0.356 562 F C 1.432 177.104 175.800 -0.214 0.000 1.110 562 F CA 0.415 58.174 58.000 -0.401 0.000 1.161 562 F CB 1.038 39.807 39.000 -0.386 0.000 1.115 562 F HN -0.014 nan 8.300 nan 0.000 0.507 563 G N 1.823 110.594 108.800 -0.049 0.000 2.583 563 G HA2 0.195 4.154 3.960 -0.002 0.000 0.280 563 G HA3 0.195 4.154 3.960 -0.002 0.000 0.280 563 G C -0.813 174.216 174.900 0.214 0.000 1.376 563 G CA -0.810 44.338 45.100 0.080 0.000 1.043 563 G HN 0.402 nan 8.290 nan 0.000 0.538 564 D N 0.665 121.189 120.400 0.206 0.000 2.533 564 D HA 0.241 4.880 4.640 -0.002 0.000 0.236 564 D C 1.221 177.691 176.300 0.283 0.000 1.137 564 D CA 0.483 54.610 54.000 0.212 0.000 0.867 564 D CB 0.874 41.782 40.800 0.180 0.000 1.170 564 D HN 0.449 nan 8.370 nan 0.000 0.474 565 T N 0.575 115.258 114.554 0.215 0.000 2.828 565 T HA 0.107 4.456 4.350 -0.002 0.000 0.290 565 T C 0.546 175.336 174.700 0.149 0.000 1.019 565 T CA -0.715 61.490 62.100 0.174 0.000 1.031 565 T CB 0.517 69.367 68.868 -0.031 0.000 1.001 565 T HN 0.238 nan 8.240 nan 0.000 0.531 566 H N 1.242 120.445 119.070 0.222 0.000 2.948 566 H HA 0.353 4.908 4.556 -0.002 0.000 0.351 566 H C 0.768 176.114 175.328 0.031 0.000 1.079 566 H CA 0.296 56.373 56.048 0.049 0.000 1.407 566 H CB 0.197 29.929 29.762 -0.050 0.000 1.373 566 H HN 0.867 nan 8.280 nan 0.000 0.605 567 S N 0.981 116.770 115.700 0.149 0.000 2.548 567 S HA 0.693 5.162 4.470 -0.002 0.000 0.286 567 S C -0.269 174.357 174.600 0.043 0.000 1.098 567 S CA -0.670 57.568 58.200 0.064 0.000 0.930 567 S CB 1.816 65.041 63.200 0.042 0.000 1.070 567 S HN 0.627 nan 8.310 nan 0.000 0.480 568 V N -1.076 118.838 119.914 -0.001 0.000 3.114 568 V HA 0.917 5.036 4.120 -0.002 0.000 0.308 568 V C -1.211 174.863 176.094 -0.034 0.000 1.168 568 V CA -0.901 61.398 62.300 -0.002 0.000 1.015 568 V CB 1.515 33.320 31.823 -0.030 0.000 1.050 568 V HN 0.849 nan 8.190 nan 0.000 0.433 569 V N 2.461 122.394 119.914 0.031 0.000 2.409 569 V HA 0.628 4.747 4.120 -0.002 0.000 0.291 569 V C -0.309 175.778 176.094 -0.012 0.000 1.020 569 V CA -0.429 61.898 62.300 0.044 0.000 0.848 569 V CB 1.532 33.540 31.823 0.308 0.000 0.990 569 V HN 0.793 nan 8.190 nan 0.000 0.430 570 V N 4.876 124.727 119.914 -0.104 0.000 2.448 570 V HA 0.467 4.586 4.120 -0.002 0.000 0.295 570 V C -0.259 175.927 176.094 0.152 0.000 1.025 570 V CA -0.743 61.557 62.300 0.001 0.000 0.859 570 V CB 1.891 33.717 31.823 0.005 0.000 0.988 570 V HN 0.945 nan 8.190 nan 0.000 0.431 571 N N 2.508 121.289 118.700 0.136 0.000 2.399 571 N HA 0.621 5.360 4.740 -0.002 0.000 0.295 571 N C -0.936 174.660 175.510 0.143 0.000 1.048 571 N CA -0.499 52.647 53.050 0.160 0.000 0.886 571 N CB 2.302 40.862 38.487 0.122 0.000 1.185 571 N HN 0.438 nan 8.380 nan 0.000 0.487 572 V N 1.375 121.380 119.914 0.151 0.000 2.370 572 V HA 0.561 4.680 4.120 -0.002 0.000 0.279 572 V C 0.908 177.047 176.094 0.075 0.000 1.029 572 V CA -0.606 61.757 62.300 0.106 0.000 0.870 572 V CB 1.041 32.935 31.823 0.118 0.000 0.984 572 V HN 0.774 nan 8.190 nan 0.000 0.451 573 G N 2.400 111.211 108.800 0.017 0.000 2.537 573 G HA2 0.273 4.231 3.960 -0.002 0.000 0.273 573 G HA3 0.273 4.231 3.960 -0.002 0.000 0.273 573 G C 0.465 175.358 174.900 -0.013 0.000 1.189 573 G CA -0.353 44.749 45.100 0.003 0.000 0.881 573 G HN 0.694 nan 8.290 nan 0.000 0.535 574 D N -0.345 120.070 120.400 0.025 0.000 2.203 574 D HA -0.116 4.523 4.640 -0.002 0.000 0.199 574 D C 1.738 178.081 176.300 0.070 0.000 0.997 574 D CA 1.364 55.408 54.000 0.073 0.000 0.863 574 D CB 0.245 41.079 40.800 0.056 0.000 0.928 574 D HN 0.509 nan 8.370 nan 0.000 0.458 575 Q N -1.312 118.424 119.800 -0.107 0.000 2.206 575 Q HA 0.384 4.722 4.340 -0.002 0.000 0.265 575 Q C 0.591 176.223 176.000 -0.614 0.000 0.866 575 Q CA 0.073 55.729 55.803 -0.244 0.000 1.073 575 Q CB 0.947 29.637 28.738 -0.080 0.000 1.165 575 Q HN 0.242 nan 8.270 nan 0.000 0.465 576 G N 0.879 109.080 108.800 -0.997 0.000 2.148 576 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.254 576 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.254 576 G C -0.366 174.390 174.900 -0.239 0.000 0.981 576 G CA -0.042 44.635 45.100 -0.705 0.000 0.670 576 G HN 0.390 nan 8.290 nan 0.000 0.528 577 E N -0.257 119.840 120.200 -0.171 0.000 2.360 577 E HA 0.503 4.852 4.350 -0.002 0.000 0.269 577 E C 0.664 177.249 176.600 -0.024 0.000 1.022 577 E CA -0.177 56.180 56.400 -0.073 0.000 0.887 577 E CB 0.931 30.597 29.700 -0.056 0.000 0.990 577 E HN 0.399 nan 8.360 nan 0.000 0.426 578 I N 3.336 123.907 120.570 0.002 0.000 2.308 578 I HA 0.093 4.262 4.170 -0.002 0.000 0.293 578 I C -0.346 175.785 176.117 0.023 0.000 1.078 578 I CA -0.106 61.217 61.300 0.038 0.000 1.292 578 I CB 0.024 38.054 38.000 0.050 0.000 1.423 578 I HN 0.405 nan 8.210 nan 0.000 0.493 579 N N 7.578 126.295 118.700 0.028 0.000 2.426 579 N HA 0.463 5.202 4.740 -0.002 0.000 0.257 579 N C -0.735 174.773 175.510 -0.004 0.000 1.002 579 N CA -0.472 52.579 53.050 0.002 0.000 0.942 579 N CB 1.440 39.924 38.487 -0.005 0.000 1.112 579 N HN 0.463 nan 8.380 nan 0.000 0.499 580 I N 2.140 122.693 120.570 -0.029 0.000 2.347 580 I HA 0.150 4.318 4.170 -0.002 0.000 0.283 580 I C 0.136 176.196 176.117 -0.095 0.000 1.058 580 I CA -0.363 60.912 61.300 -0.042 0.000 1.202 580 I CB 0.791 38.773 38.000 -0.030 0.000 1.386 580 I HN 0.584 nan 8.210 nan 0.000 0.475 581 D N 4.991 125.302 120.400 -0.149 0.000 2.197 581 D HA 0.078 4.717 4.640 -0.002 0.000 0.212 581 D C 0.151 176.131 176.300 -0.534 0.000 0.963 581 D CA 1.405 55.175 54.000 -0.383 0.000 0.864 581 D CB 0.318 40.794 40.800 -0.539 0.000 1.009 581 D HN 0.222 nan 8.370 nan 0.000 0.479 582 F N 0.372 120.316 119.950 -0.010 0.000 2.480 582 F HA 0.528 5.054 4.527 -0.002 0.000 0.329 582 F C 0.163 175.951 175.800 -0.020 0.000 1.091 582 F CA -0.847 57.148 58.000 -0.009 0.000 0.972 582 F CB 2.068 41.067 39.000 -0.001 0.000 1.150 582 F HN -0.340 nan 8.300 nan 0.000 0.467 583 I N 2.340 122.998 120.570 0.146 0.000 2.534 583 I HA 0.280 4.449 4.170 -0.002 0.000 0.288 583 I C -1.232 174.927 176.117 0.070 0.000 1.077 583 I CA -0.651 60.688 61.300 0.065 0.000 1.051 583 I CB 2.229 40.225 38.000 -0.007 0.000 1.234 583 I HN 0.537 nan 8.210 nan 0.000 0.425 584 N N 5.344 124.084 118.700 0.068 0.000 2.483 584 N HA 0.256 4.995 4.740 -0.002 0.000 0.267 584 N C -0.989 174.585 175.510 0.106 0.000 0.998 584 N CA -0.489 52.609 53.050 0.079 0.000 0.918 584 N CB 1.299 39.836 38.487 0.083 0.000 1.215 584 N HN 0.438 nan 8.380 nan 0.000 0.500 585 E N 1.059 121.316 120.200 0.094 0.000 2.384 585 E HA 0.255 4.604 4.350 -0.002 0.000 0.266 585 E C 0.720 177.476 176.600 0.261 0.000 1.012 585 E CA -0.239 56.273 56.400 0.186 0.000 0.901 585 E CB 0.664 30.414 29.700 0.084 0.000 0.967 585 E HN 0.627 nan 8.360 nan 0.000 0.435 586 G N 2.518 111.545 108.800 0.379 0.000 2.611 586 G HA2 -0.002 3.956 3.960 -0.002 0.000 0.273 586 G HA3 -0.002 3.956 3.960 -0.002 0.000 0.273 586 G C -0.189 174.868 174.900 0.262 0.000 1.305 586 G CA -0.590 44.673 45.100 0.273 0.000 1.010 586 G HN 0.461 nan 8.290 nan 0.000 0.509 587 D N -0.185 120.365 120.400 0.251 0.000 2.372 587 D HA 0.329 4.967 4.640 -0.002 0.000 0.243 587 D C 1.028 177.420 176.300 0.153 0.000 1.121 587 D CA 0.392 54.476 54.000 0.139 0.000 0.898 587 D CB 1.306 42.144 40.800 0.064 0.000 1.202 587 D HN 0.448 nan 8.370 nan 0.000 0.428 588 T N -2.564 112.020 114.554 0.050 0.000 2.897 588 T HA 0.258 4.607 4.350 -0.002 0.000 0.278 588 T C 1.536 176.192 174.700 -0.072 0.000 0.981 588 T CA -0.852 61.275 62.100 0.045 0.000 0.973 588 T CB 0.802 69.690 68.868 0.033 0.000 1.092 588 T HN 0.028 nan 8.240 nan 0.000 0.543 589 V N 0.795 120.665 119.914 -0.073 0.000 2.380 589 V HA -0.163 3.955 4.120 -0.002 0.000 0.251 589 V C 2.793 178.801 176.094 -0.144 0.000 1.063 589 V CA 2.442 64.664 62.300 -0.130 0.000 1.055 589 V CB -1.066 30.695 31.823 -0.104 0.000 0.657 589 V HN 1.062 nan 8.190 nan 0.000 0.455 590 E N -0.045 120.090 120.200 -0.108 0.000 2.072 590 E HA -0.254 4.095 4.350 -0.002 0.000 0.191 590 E C 1.875 178.360 176.600 -0.192 0.000 0.985 590 E CA 1.373 57.708 56.400 -0.109 0.000 0.801 590 E CB -0.116 29.550 29.700 -0.056 0.000 0.750 590 E HN 0.595 nan 8.360 nan 0.000 0.452 591 D N 0.565 120.813 120.400 -0.254 0.000 2.126 591 D HA -0.234 4.405 4.640 -0.002 0.000 0.190 591 D C 1.973 177.738 176.300 -0.891 0.000 1.001 591 D CA 1.452 55.131 54.000 -0.535 0.000 0.841 591 D CB -0.226 40.276 40.800 -0.496 0.000 0.949 591 D HN 0.313 nan 8.370 nan 0.000 0.446 592 M N -0.429 118.819 119.600 -0.585 0.000 2.117 592 M HA -0.070 4.408 4.480 -0.002 0.000 0.262 592 M C 2.413 178.547 176.300 -0.278 0.000 1.065 592 M CA 1.000 56.041 55.300 -0.432 0.000 1.114 592 M CB -0.771 31.658 32.600 -0.285 0.000 1.361 592 M HN 0.093 nan 8.290 nan 0.000 0.408 593 M N -0.861 118.604 119.600 -0.224 0.000 2.159 593 M HA -0.198 4.280 4.480 -0.002 0.000 0.263 593 M C 2.381 178.618 176.300 -0.105 0.000 1.063 593 M CA 1.563 56.778 55.300 -0.142 0.000 1.110 593 M CB -0.381 32.155 32.600 -0.106 0.000 1.374 593 M HN 0.182 nan 8.290 nan 0.000 0.411 594 R N -0.406 120.024 120.500 -0.115 0.000 2.075 594 R HA -0.166 4.173 4.340 -0.002 0.000 0.232 594 R C 2.036 178.407 176.300 0.118 0.000 1.126 594 R CA 1.578 57.677 56.100 -0.001 0.000 0.963 594 R CB -0.160 30.138 30.300 -0.003 0.000 0.858 594 R HN 0.300 nan 8.270 nan 0.000 0.435 595 Y N -0.025 120.224 120.300 -0.085 0.000 2.256 595 Y HA -0.141 4.408 4.550 -0.002 0.000 0.288 595 Y C 2.004 177.683 175.900 -0.369 0.000 1.155 595 Y CA 0.850 58.863 58.100 -0.145 0.000 1.203 595 Y CB -0.892 37.508 38.460 -0.101 0.000 0.980 595 Y HN 0.040 nan 8.280 nan 0.000 0.530 596 V N -2.417 117.377 119.914 -0.200 0.000 3.415 596 V HA 0.182 4.300 4.120 -0.002 0.000 0.325 596 V C 0.097 175.972 176.094 -0.366 0.000 1.313 596 V CA 0.095 62.177 62.300 -0.363 0.000 1.228 596 V CB -1.317 30.397 31.823 -0.182 0.000 1.131 596 V HN 0.561 nan 8.190 nan 0.000 0.433 597 H N -1.866 117.221 119.070 0.028 0.000 2.992 597 H HA -0.154 4.401 4.556 -0.002 0.000 0.266 597 H C 0.268 175.592 175.328 -0.007 0.000 1.200 597 H CA 0.963 57.018 56.048 0.012 0.000 1.135 597 H CB -2.158 27.607 29.762 0.005 0.000 1.282 597 H HN 0.571 nan 8.280 nan 0.000 0.351 598 I N 2.005 122.594 120.570 0.032 0.000 2.533 598 I HA -0.041 4.127 4.170 -0.002 0.000 0.284 598 I C 1.127 177.249 176.117 0.010 0.000 1.109 598 I CA 0.249 61.552 61.300 0.004 0.000 1.412 598 I CB 0.462 38.440 38.000 -0.036 0.000 1.396 598 I HN 0.018 nan 8.210 nan 0.000 0.543 599 D N 6.851 127.252 120.400 0.001 0.000 2.489 599 D HA 0.027 4.666 4.640 -0.002 0.000 0.237 599 D C 1.016 177.299 176.300 -0.027 0.000 1.212 599 D CA 0.141 54.137 54.000 -0.007 0.000 1.058 599 D CB 0.648 41.439 40.800 -0.014 0.000 1.098 599 D HN 0.290 nan 8.370 nan 0.000 0.509 600 V N 3.054 122.955 119.914 -0.021 0.000 2.407 600 V HA -0.217 3.902 4.120 -0.002 0.000 0.248 600 V C 1.793 177.871 176.094 -0.026 0.000 1.055 600 V CA 1.563 63.847 62.300 -0.028 0.000 1.049 600 V CB -0.261 31.550 31.823 -0.020 0.000 0.662 600 V HN 0.503 nan 8.190 nan 0.000 0.455 601 D N -0.301 120.088 120.400 -0.018 0.000 2.149 601 D HA -0.227 4.412 4.640 -0.002 0.000 0.198 601 D C 2.175 178.455 176.300 -0.033 0.000 0.990 601 D CA 1.416 55.405 54.000 -0.018 0.000 0.839 601 D CB -0.130 40.662 40.800 -0.013 0.000 0.948 601 D HN 0.417 nan 8.370 nan 0.000 0.460 602 Q N 0.520 120.293 119.800 -0.044 0.000 2.084 602 Q HA -0.100 4.239 4.340 -0.002 0.000 0.202 602 Q C 2.078 178.019 176.000 -0.099 0.000 0.978 602 Q CA 0.823 56.590 55.803 -0.059 0.000 0.844 602 Q CB -0.211 28.494 28.738 -0.055 0.000 0.898 602 Q HN 0.198 nan 8.270 nan 0.000 0.426 603 I N 0.224 120.714 120.570 -0.134 0.000 2.252 603 I HA -0.232 3.937 4.170 -0.002 0.000 0.245 603 I C 2.171 178.113 176.117 -0.291 0.000 1.102 603 I CA 1.389 62.525 61.300 -0.272 0.000 1.385 603 I CB -0.991 36.873 38.000 -0.226 0.000 1.064 603 I HN 0.288 nan 8.210 nan 0.000 0.414 604 R N 0.939 121.399 120.500 -0.067 0.000 2.091 604 R HA -0.177 4.162 4.340 -0.002 0.000 0.238 604 R C 2.286 178.628 176.300 0.071 0.000 1.136 604 R CA 1.356 57.504 56.100 0.080 0.000 0.959 604 R CB -0.279 30.065 30.300 0.074 0.000 0.856 604 R HN 0.390 nan 8.270 nan 0.000 0.437 605 K N 0.221 120.621 120.400 -0.001 0.000 2.057 605 K HA -0.088 4.230 4.320 -0.002 0.000 0.207 605 K C 1.830 178.456 176.600 0.043 0.000 1.049 605 K CA 1.353 57.647 56.287 0.011 0.000 0.931 605 K CB -0.128 32.357 32.500 -0.025 0.000 0.714 605 K HN 0.136 nan 8.250 nan 0.000 0.440 606 N N 0.207 118.879 118.700 -0.048 0.000 2.166 606 N HA -0.151 4.588 4.740 -0.002 0.000 0.186 606 N C 1.718 177.229 175.510 0.002 0.000 1.019 606 N CA 1.235 54.245 53.050 -0.067 0.000 0.856 606 N CB -0.332 38.056 38.487 -0.165 0.000 0.993 606 N HN 0.195 nan 8.380 nan 0.000 0.426 607 Y N 0.816 121.143 120.300 0.045 0.000 2.114 607 Y HA -0.163 4.386 4.550 -0.002 0.000 0.284 607 Y C 2.573 178.503 175.900 0.050 0.000 1.143 607 Y CA 1.048 59.169 58.100 0.036 0.000 1.135 607 Y CB -1.229 37.250 38.460 0.032 0.000 0.980 607 Y HN 0.268 nan 8.280 nan 0.000 0.499 608 H N -0.807 118.372 119.070 0.182 0.000 2.292 608 H HA -0.238 4.317 4.556 -0.002 0.000 0.292 608 H C 2.673 178.039 175.328 0.064 0.000 1.100 608 H CA 2.511 58.614 56.048 0.091 0.000 1.238 608 H CB -0.338 29.460 29.762 0.060 0.000 1.355 608 H HN 0.240 nan 8.280 nan 0.000 0.484 609 S N -0.818 114.984 115.700 0.170 0.000 2.348 609 S HA -0.123 4.346 4.470 -0.002 0.000 0.221 609 S C 2.188 176.811 174.600 0.038 0.000 1.033 609 S CA 1.205 59.457 58.200 0.087 0.000 1.010 609 S CB -0.466 62.781 63.200 0.078 0.000 0.891 609 S HN 0.359 nan 8.310 nan 0.000 0.442 610 L N 1.847 123.109 121.223 0.065 0.000 1.994 610 L HA -0.031 4.308 4.340 -0.002 0.000 0.208 610 L C 2.545 179.432 176.870 0.028 0.000 1.071 610 L CA 1.697 56.571 54.840 0.057 0.000 0.745 610 L CB -1.500 40.621 42.059 0.104 0.000 0.892 610 L HN 0.259 nan 8.230 nan 0.000 0.431 611 V N -1.318 118.611 119.914 0.024 0.000 2.490 611 V HA -0.221 3.898 4.120 -0.002 0.000 0.250 611 V C 2.659 178.710 176.094 -0.072 0.000 1.061 611 V CA 1.444 63.727 62.300 -0.029 0.000 1.064 611 V CB -0.519 31.276 31.823 -0.046 0.000 0.670 611 V HN 0.373 nan 8.190 nan 0.000 0.461 612 S N 0.214 115.851 115.700 -0.106 0.000 2.370 612 S HA -0.254 4.214 4.470 -0.002 0.000 0.226 612 S C 2.030 176.596 174.600 -0.057 0.000 1.033 612 S CA 2.037 60.168 58.200 -0.115 0.000 1.011 612 S CB -0.227 62.900 63.200 -0.121 0.000 0.852 612 S HN 0.889 nan 8.310 nan 0.000 0.457 613 Q N -0.284 119.496 119.800 -0.033 0.000 2.376 613 Q HA 0.184 4.522 4.340 -0.002 0.000 0.206 613 Q C 1.594 177.585 176.000 -0.016 0.000 0.921 613 Q CA 0.408 56.200 55.803 -0.019 0.000 0.911 613 Q CB -0.028 28.705 28.738 -0.008 0.000 1.032 613 Q HN 0.327 nan 8.270 nan 0.000 0.510 614 R N 0.410 120.901 120.500 -0.015 0.000 2.334 614 R HA 0.305 4.643 4.340 -0.002 0.000 0.212 614 R C -0.356 175.934 176.300 -0.017 0.000 0.897 614 R CA 0.026 56.119 56.100 -0.012 0.000 1.056 614 R CB 1.416 31.714 30.300 -0.003 0.000 1.046 614 R HN 0.000 nan 8.270 nan 0.000 0.513 615 V N 1.587 121.486 119.914 -0.025 0.000 2.823 615 V HA 0.154 4.272 4.120 -0.002 0.000 0.312 615 V C -0.866 175.210 176.094 -0.029 0.000 1.072 615 V CA -1.229 61.053 62.300 -0.029 0.000 0.937 615 V CB 2.239 34.039 31.823 -0.037 0.000 1.013 615 V HN 0.062 nan 8.190 nan 0.000 0.430 616 D N 2.299 122.684 120.400 -0.025 0.000 2.455 616 D HA 0.139 4.778 4.640 -0.002 0.000 0.241 616 D C 1.132 177.416 176.300 -0.026 0.000 1.138 616 D CA -0.052 53.934 54.000 -0.022 0.000 0.877 616 D CB 0.724 41.513 40.800 -0.018 0.000 1.187 616 D HN 0.735 nan 8.370 nan 0.000 0.451 617 Q N 1.851 121.636 119.800 -0.025 0.000 2.197 617 Q HA -0.312 4.027 4.340 -0.002 0.000 0.207 617 Q C 1.393 177.379 176.000 -0.023 0.000 0.984 617 Q CA 1.975 57.762 55.803 -0.027 0.000 0.869 617 Q CB -0.534 28.191 28.738 -0.022 0.000 0.906 617 Q HN 0.655 nan 8.270 nan 0.000 0.426 618 E N 0.972 121.161 120.200 -0.018 0.000 2.204 618 E HA -0.191 4.157 4.350 -0.002 0.000 0.195 618 E C 1.605 178.195 176.600 -0.018 0.000 0.990 618 E CA 1.671 58.062 56.400 -0.015 0.000 0.821 618 E CB -0.163 29.530 29.700 -0.013 0.000 0.750 618 E HN 0.639 nan 8.360 nan 0.000 0.477 619 E N -0.193 119.993 120.200 -0.022 0.000 2.389 619 E HA 0.000 4.349 4.350 -0.002 0.000 0.199 619 E C 1.852 178.433 176.600 -0.032 0.000 0.978 619 E CA -0.012 56.373 56.400 -0.025 0.000 0.912 619 E CB 0.114 29.798 29.700 -0.026 0.000 0.907 619 E HN 0.331 nan 8.360 nan 0.000 0.494 620 Q N 0.780 120.558 119.800 -0.037 0.000 2.065 620 Q HA -0.335 4.003 4.340 -0.002 0.000 0.213 620 Q C 2.204 178.177 176.000 -0.044 0.000 1.012 620 Q CA 2.458 58.232 55.803 -0.049 0.000 0.876 620 Q CB -0.253 28.449 28.738 -0.060 0.000 0.954 620 Q HN 0.288 nan 8.270 nan 0.000 0.413 621 Q N 0.071 119.853 119.800 -0.030 0.000 2.167 621 Q HA -0.256 4.083 4.340 -0.002 0.000 0.202 621 Q C 1.991 177.980 176.000 -0.019 0.000 0.970 621 Q CA 1.480 57.273 55.803 -0.017 0.000 0.855 621 Q CB -0.006 28.729 28.738 -0.005 0.000 0.911 621 Q HN 0.222 nan 8.270 nan 0.000 0.438 622 Q N 0.594 120.379 119.800 -0.024 0.000 1.967 622 Q HA -0.141 4.198 4.340 -0.002 0.000 0.202 622 Q C 1.972 177.949 176.000 -0.039 0.000 0.985 622 Q CA 2.001 57.788 55.803 -0.026 0.000 0.839 622 Q CB -0.277 28.446 28.738 -0.025 0.000 0.906 622 Q HN 0.498 nan 8.270 nan 0.000 0.423 623 I N 0.485 121.025 120.570 -0.050 0.000 2.163 623 I HA -0.263 3.906 4.170 -0.002 0.000 0.243 623 I C 2.221 178.281 176.117 -0.094 0.000 1.085 623 I CA 1.112 62.368 61.300 -0.073 0.000 1.347 623 I CB -1.404 36.551 38.000 -0.074 0.000 1.044 623 I HN 0.348 nan 8.210 nan 0.000 0.408 624 L N 0.941 122.122 121.223 -0.071 0.000 2.046 624 L HA -0.177 4.162 4.340 -0.002 0.000 0.208 624 L C 2.638 179.482 176.870 -0.043 0.000 1.077 624 L CA 2.185 56.992 54.840 -0.056 0.000 0.747 624 L CB -1.036 41.016 42.059 -0.013 0.000 0.896 624 L HN 0.227 nan 8.230 nan 0.000 0.432 625 A N -0.547 122.255 122.820 -0.031 0.000 1.873 625 A HA -0.216 4.103 4.320 -0.002 0.000 0.215 625 A C 2.091 179.655 177.584 -0.034 0.000 1.186 625 A CA 1.483 53.508 52.037 -0.020 0.000 0.616 625 A CB -0.458 18.535 19.000 -0.012 0.000 0.823 625 A HN 0.521 nan 8.150 nan 0.000 0.442 626 E N -0.121 120.048 120.200 -0.051 0.000 2.110 626 E HA -0.156 4.193 4.350 -0.002 0.000 0.193 626 E C 1.959 178.509 176.600 -0.084 0.000 0.988 626 E CA 1.077 57.443 56.400 -0.057 0.000 0.804 626 E CB -0.314 29.351 29.700 -0.059 0.000 0.745 626 E HN 0.633 nan 8.360 nan 0.000 0.458 627 L N 1.061 122.203 121.223 -0.136 0.000 2.012 627 L HA -0.231 4.108 4.340 -0.002 0.000 0.210 627 L C 2.348 179.160 176.870 -0.097 0.000 1.073 627 L CA 1.397 56.115 54.840 -0.203 0.000 0.748 627 L CB -0.522 41.289 42.059 -0.413 0.000 0.891 627 L HN 0.158 nan 8.230 nan 0.000 0.431 628 E N -0.275 119.897 120.200 -0.046 0.000 2.158 628 E HA -0.198 4.151 4.350 -0.002 0.000 0.191 628 E C 2.131 178.732 176.600 0.002 0.000 0.982 628 E CA 0.742 57.144 56.400 0.003 0.000 0.823 628 E CB -0.124 29.590 29.700 0.024 0.000 0.766 628 E HN 0.608 nan 8.360 nan 0.000 0.468 629 Q N 0.617 120.413 119.800 -0.008 0.000 2.167 629 Q HA -0.072 4.267 4.340 -0.002 0.000 0.202 629 Q C 2.333 178.334 176.000 0.002 0.000 0.970 629 Q CA 1.147 56.951 55.803 0.002 0.000 0.855 629 Q CB -0.230 28.509 28.738 0.002 0.000 0.911 629 Q HN 0.339 nan 8.270 nan 0.000 0.438 630 G N 1.232 110.022 108.800 -0.017 0.000 2.491 630 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.218 630 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.218 630 G C 1.373 176.264 174.900 -0.015 0.000 1.180 630 G CA 0.670 45.757 45.100 -0.023 0.000 0.774 630 G HN 0.197 nan 8.290 nan 0.000 0.562 631 L N 0.605 121.825 121.223 -0.005 0.000 2.046 631 L HA -0.069 4.270 4.340 -0.002 0.000 0.208 631 L C 2.929 179.798 176.870 -0.000 0.000 1.077 631 L CA 1.359 56.200 54.840 0.001 0.000 0.747 631 L CB -0.280 41.797 42.059 0.029 0.000 0.896 631 L HN 0.195 nan 8.230 nan 0.000 0.432 632 S N -0.593 115.115 115.700 0.013 0.000 2.562 632 S HA 0.091 4.559 4.470 -0.002 0.000 0.221 632 S C 0.936 175.563 174.600 0.045 0.000 0.975 632 S CA 0.207 58.421 58.200 0.023 0.000 0.918 632 S CB -0.025 63.189 63.200 0.024 0.000 0.772 632 S HN 0.470 nan 8.310 nan 0.000 0.531 633 G N -0.154 108.676 108.800 0.050 0.000 2.507 633 G HA2 0.403 4.361 3.960 -0.002 0.000 0.271 633 G HA3 0.403 4.361 3.960 -0.002 0.000 0.271 633 G C -0.576 174.420 174.900 0.159 0.000 1.189 633 G CA -0.656 44.503 45.100 0.097 0.000 0.859 633 G HN 0.405 nan 8.290 nan 0.000 0.542 634 Y N 0.358 120.692 120.300 0.057 0.000 2.805 634 Y HA -0.090 4.458 4.550 -0.002 0.000 0.337 634 Y C 2.406 178.316 175.900 0.016 0.000 1.252 634 Y CA 0.485 58.626 58.100 0.069 0.000 1.515 634 Y CB 0.958 39.499 38.460 0.135 0.000 1.305 634 Y HN 0.716 nan 8.280 nan 0.000 0.600 635 T N 2.192 116.662 114.554 -0.141 0.000 2.915 635 T HA -0.156 4.193 4.350 -0.002 0.000 0.269 635 T C 0.333 174.810 174.700 -0.370 0.000 1.071 635 T CA 0.713 62.614 62.100 -0.331 0.000 1.132 635 T CB -0.343 68.257 68.868 -0.447 0.000 0.878 635 T HN 0.480 nan 8.240 nan 0.000 0.479 636 Y N 0.944 121.065 120.300 -0.297 0.000 2.240 636 Y HA 0.567 5.115 4.550 -0.002 0.000 0.341 636 Y C 1.027 176.905 175.900 -0.038 0.000 1.326 636 Y CA -1.351 56.627 58.100 -0.204 0.000 1.569 636 Y CB 0.287 38.431 38.460 -0.527 0.000 1.426 636 Y HN 0.054 nan 8.280 nan 0.000 0.587 637 L N 0.185 121.518 121.223 0.184 0.000 2.416 637 L HA 0.424 4.763 4.340 -0.002 0.000 0.263 637 L C -0.538 176.419 176.870 0.144 0.000 1.065 637 L CA -0.932 53.991 54.840 0.139 0.000 0.798 637 L CB 1.112 43.239 42.059 0.115 0.000 1.267 637 L HN 0.528 nan 8.230 nan 0.000 0.467 638 E N -0.301 119.969 120.200 0.117 0.000 2.179 638 E HA 0.196 4.545 4.350 -0.002 0.000 0.275 638 E C -1.055 175.608 176.600 0.106 0.000 0.945 638 E CA -0.688 55.782 56.400 0.116 0.000 0.792 638 E CB 1.278 31.038 29.700 0.099 0.000 1.125 638 E HN 0.395 nan 8.360 nan 0.000 0.397 639 D N 0.000 120.469 120.400 0.115 0.000 6.856 639 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 639 D CA 0.000 54.071 54.000 0.118 0.000 0.868 639 D CB 0.000 40.862 40.800 0.104 0.000 0.688 639 D HN 0.000 nan 8.370 nan 0.000 0.683