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 3iun_1_A DATA FIRST_RESID 7 DATA SEQUENCE LHYPVTRQGE QVDHYFGQAV ADPYRWLEDD RSPETEAWVK AQNAVTQDYL DATA SEQUENCE AQIPYRAAIK EKLAASWNYA KEGAPFREGR YHYFFKNDGL QNQNVLWRQQ DATA SEQUENCE EGKPAEVFLD PNTLSPDGTT ALDQLSFSRD GRILAYSLSL AGSDWREIHL DATA SEQUENCE MDVESKQPLE TPLKDVKFSG ISWLGNEGFF YSSYDKPDGX XXSARTDQHK DATA SEQUENCE VYFHRLGTAQ EDDRLVFGAI PAQHHRYVGA TVTEDDRFLL ISAANSTSGN DATA SEQUENCE RLYVKDLSQE NAPLLTVQGD LDADVSLVDN KGSTLYLLTN RDAPNRRLVT DATA SEQUENCE VDAANPGPAH WRDLIPERQQ VLTVHSGSGY LFAEYMVDAT ARVEQFDYEG DATA SEQUENCE KRVREVALPG LGSVSGFNGK HDDPALYFGF ENYAQPPTLY RFEPKSGAIS DATA SEQUENCE LYRASAAPFK PEDYVSEQRF YQSKDGTRVP LIISYRKGLK LDGSNPTILY DATA SEQUENCE GYGGFDVSLT PSFSVSVANW LDLGGVYAVA NLRGGGEYGQ AWHLAGTQQN DATA SEQUENCE KQNVFDDFIA AAEYLKAEGY TRTDRLAIRG GSNGGLLVGA VMTQRPDLMR DATA SEQUENCE VALPAVGVLD MLRYHTFTAG TGWAYDYGTS ADSEAMFDYL KGYSPLHNVR DATA SEQUENCE PGVSYPSTMV TTADHNDRVV PAHSFKFAAT LQADNAGPHP QLIRIETNXX DATA SEQUENCE XXXXXPVAKL IEQSADIYAF TLYEMGYREL PR 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.877 176.870 0.011 0.000 1.165 7 L CA 0.000 54.806 54.840 -0.056 0.000 0.813 7 L CB 0.000 41.993 42.059 -0.110 0.000 0.961 8 H N 4.494 123.448 119.070 -0.194 0.000 2.725 8 H HA 0.347 4.903 4.556 0.000 0.000 0.283 8 H C -1.071 174.197 175.328 -0.100 0.000 1.110 8 H CA -0.845 55.105 56.048 -0.163 0.000 1.289 8 H CB 0.794 30.519 29.762 -0.061 0.000 1.400 8 H HN 0.319 nan 8.280 nan 0.000 0.493 9 Y N 2.287 122.645 120.300 0.097 0.000 2.480 9 Y HA 0.073 4.623 4.550 0.000 0.000 0.338 9 Y C -1.611 174.297 175.900 0.014 0.000 1.220 9 Y CA -2.323 55.785 58.100 0.013 0.000 1.430 9 Y CB -0.224 38.237 38.460 0.002 0.000 1.311 9 Y HN 0.533 nan 8.280 nan 0.000 0.575 10 P HA 0.073 nan 4.420 nan 0.000 0.271 10 P C -0.792 176.597 177.300 0.148 0.000 1.244 10 P CA -0.453 62.691 63.100 0.073 0.000 0.793 10 P CB 0.505 32.163 31.700 -0.070 0.000 0.984 11 V N 0.932 120.940 119.914 0.157 0.000 2.583 11 V HA 0.190 4.310 4.120 0.000 0.000 0.287 11 V C 0.278 176.554 176.094 0.304 0.000 1.051 11 V CA 0.556 62.971 62.300 0.192 0.000 1.010 11 V CB 0.819 32.728 31.823 0.143 0.000 0.988 11 V HN 0.526 nan 8.190 nan 0.000 0.478 12 T N 6.158 120.910 114.554 0.331 0.000 2.833 12 T HA 0.335 4.685 4.350 0.000 0.000 0.297 12 T C 0.009 174.991 174.700 0.469 0.000 1.015 12 T CA -0.480 61.893 62.100 0.456 0.000 0.963 12 T CB 0.561 69.616 68.868 0.312 0.000 0.955 12 T HN 0.675 nan 8.240 nan 0.000 0.449 13 R N 2.930 123.703 120.500 0.456 0.000 2.585 13 R HA 0.086 4.426 4.340 0.000 0.000 0.275 13 R C -0.295 176.278 176.300 0.455 0.000 1.018 13 R CA 0.289 56.550 56.100 0.267 0.000 1.072 13 R CB 0.406 30.623 30.300 -0.138 0.000 0.953 13 R HN 0.591 nan 8.270 nan 0.000 0.419 14 Q N 2.181 122.112 119.800 0.218 0.000 2.307 14 Q HA 0.364 4.704 4.340 0.000 0.000 0.262 14 Q C -0.047 175.972 176.000 0.032 0.000 0.961 14 Q CA -0.713 55.139 55.803 0.080 0.000 0.882 14 Q CB 2.254 30.984 28.738 -0.012 0.000 1.264 14 Q HN 0.833 nan 8.270 nan 0.000 0.446 15 G N 1.095 109.919 108.800 0.041 0.000 2.568 15 G HA2 0.228 4.188 3.960 0.000 0.000 0.293 15 G HA3 0.228 4.188 3.960 0.000 0.000 0.293 15 G C -0.112 174.783 174.900 -0.009 0.000 1.347 15 G CA -0.482 44.634 45.100 0.026 0.000 1.039 15 G HN 0.662 nan 8.290 nan 0.000 0.523 16 E N -0.677 119.523 120.200 -0.001 0.000 2.558 16 E HA 0.066 4.416 4.350 0.000 0.000 0.205 16 E C 0.122 176.721 176.600 -0.002 0.000 1.006 16 E CA -0.283 56.113 56.400 -0.008 0.000 0.961 16 E CB 0.815 30.512 29.700 -0.005 0.000 1.044 16 E HN 0.370 nan 8.360 nan 0.000 0.465 17 Q N 1.582 121.386 119.800 0.007 0.000 2.274 17 Q HA 0.078 4.418 4.340 0.000 0.000 0.280 17 Q C -0.962 175.030 176.000 -0.012 0.000 1.047 17 Q CA 0.323 56.132 55.803 0.009 0.000 0.907 17 Q CB 0.699 29.455 28.738 0.029 0.000 1.171 17 Q HN -0.079 nan 8.270 nan 0.000 0.381 18 V N 4.970 124.870 119.914 -0.024 0.000 2.588 18 V HA 0.428 4.548 4.120 0.000 0.000 0.304 18 V C -0.695 175.314 176.094 -0.143 0.000 1.042 18 V CA -0.904 61.347 62.300 -0.082 0.000 0.877 18 V CB 2.152 33.928 31.823 -0.078 0.000 0.996 18 V HN 0.835 nan 8.190 nan 0.000 0.425 19 D N 1.579 121.831 120.400 -0.248 0.000 2.228 19 D HA 0.550 5.190 4.640 0.000 0.000 0.247 19 D C -0.966 174.907 176.300 -0.712 0.000 0.995 19 D CA -0.356 53.415 54.000 -0.382 0.000 0.903 19 D CB 1.950 42.533 40.800 -0.361 0.000 1.205 19 D HN 0.611 nan 8.370 nan 0.000 0.459 20 H N 0.185 118.882 119.070 -0.621 0.000 2.547 20 H HA 0.362 4.918 4.556 0.000 0.000 0.342 20 H C -1.005 173.818 175.328 -0.842 0.000 1.048 20 H CA -0.432 55.287 56.048 -0.548 0.000 1.204 20 H CB 0.898 30.472 29.762 -0.314 0.000 1.493 20 H HN 0.204 nan 8.280 nan 0.000 0.511 21 Y N 2.494 122.571 120.300 -0.371 0.000 2.332 21 Y HA 0.243 4.793 4.550 0.000 0.000 0.326 21 Y C -0.543 174.989 175.900 -0.613 0.000 0.978 21 Y CA -1.653 55.977 58.100 -0.784 0.000 1.205 21 Y CB 0.383 37.957 38.460 -1.476 0.000 1.131 21 Y HN 0.629 nan 8.280 nan 0.000 0.462 22 F N 1.873 121.712 119.950 -0.185 0.000 2.866 22 F HA -0.198 4.329 4.527 0.000 0.000 0.254 22 F C 1.425 177.200 175.800 -0.043 0.000 1.009 22 F CA 1.306 59.249 58.000 -0.096 0.000 0.907 22 F CB -1.421 37.536 39.000 -0.072 0.000 0.859 22 F HN 0.890 nan 8.300 nan 0.000 0.842 23 G N -1.138 107.706 108.800 0.073 0.000 2.347 23 G HA2 -0.355 3.605 3.960 0.000 0.000 0.247 23 G HA3 -0.355 3.605 3.960 0.000 0.000 0.247 23 G C 0.370 175.344 174.900 0.123 0.000 1.037 23 G CA 0.308 45.467 45.100 0.097 0.000 0.622 23 G HN 0.568 nan 8.290 nan 0.000 0.521 24 Q N 1.015 120.879 119.800 0.107 0.000 2.286 24 Q HA 0.600 4.940 4.340 0.000 0.000 0.257 24 Q C 0.276 176.289 176.000 0.021 0.000 0.941 24 Q CA 0.229 56.114 55.803 0.135 0.000 0.912 24 Q CB 1.329 30.255 28.738 0.312 0.000 1.192 24 Q HN 0.702 nan 8.270 nan 0.000 0.410 25 A N 2.827 125.628 122.820 -0.032 0.000 2.301 25 A HA 0.599 4.919 4.320 0.000 0.000 0.312 25 A C -0.761 176.758 177.584 -0.108 0.000 1.182 25 A CA -0.508 51.350 52.037 -0.299 0.000 0.826 25 A CB 0.908 19.722 19.000 -0.310 0.000 1.134 25 A HN 0.495 nan 8.150 nan 0.000 0.501 26 V N 1.939 121.771 119.914 -0.136 0.000 2.525 26 V HA 0.603 4.723 4.120 0.000 0.000 0.299 26 V C 0.527 176.625 176.094 0.007 0.000 1.034 26 V CA -0.556 61.769 62.300 0.041 0.000 0.863 26 V CB 1.212 33.166 31.823 0.218 0.000 0.999 26 V HN 1.208 nan 8.190 nan 0.000 0.423 27 A N 2.740 125.578 122.820 0.030 0.000 2.388 27 A HA 0.595 4.915 4.320 0.000 0.000 0.257 27 A C -0.102 177.509 177.584 0.045 0.000 1.095 27 A CA 0.027 52.069 52.037 0.008 0.000 0.791 27 A CB 0.277 19.273 19.000 -0.007 0.000 1.029 27 A HN 0.886 nan 8.150 nan 0.000 0.489 28 D N 2.041 122.446 120.400 0.009 0.000 2.513 28 D HA 0.323 4.963 4.640 0.000 0.000 0.295 28 D C -1.598 174.655 176.300 -0.079 0.000 1.202 28 D CA -1.204 52.802 54.000 0.010 0.000 0.849 28 D CB 0.941 41.785 40.800 0.074 0.000 1.116 28 D HN 0.237 nan 8.370 nan 0.000 0.502 29 P HA -0.158 nan 4.420 nan 0.000 0.221 29 P C 0.228 177.285 177.300 -0.405 0.000 1.145 29 P CA 0.868 63.736 63.100 -0.387 0.000 0.795 29 P CB 0.085 31.409 31.700 -0.627 0.000 0.775 30 Y N -0.909 119.380 120.300 -0.019 0.000 2.708 30 Y HA 0.322 4.872 4.550 0.000 0.000 0.287 30 Y C 2.217 177.920 175.900 -0.328 0.000 1.145 30 Y CA -0.812 57.141 58.100 -0.245 0.000 1.249 30 Y CB -0.606 37.636 38.460 -0.364 0.000 1.152 30 Y HN -0.216 nan 8.280 nan 0.000 0.532 31 R N 1.622 122.127 120.500 0.008 0.000 2.103 31 R HA -0.194 4.146 4.340 0.000 0.000 0.242 31 R C 1.989 178.301 176.300 0.020 0.000 1.142 31 R CA 2.371 58.492 56.100 0.034 0.000 0.960 31 R CB -0.826 29.528 30.300 0.091 0.000 0.858 31 R HN 0.637 nan 8.270 nan 0.000 0.439 32 W N -0.088 121.214 121.300 0.004 0.000 2.364 32 W HA -0.124 4.536 4.660 0.000 0.000 0.281 32 W C 0.971 177.470 176.519 -0.034 0.000 1.219 32 W CA 0.427 57.766 57.345 -0.010 0.000 1.220 32 W CB -0.890 28.561 29.460 -0.015 0.000 1.127 32 W HN 0.099 nan 8.180 nan 0.000 0.556 33 L N 1.083 121.797 121.223 -0.849 0.000 2.622 33 L HA -0.055 4.285 4.340 0.000 0.000 0.233 33 L C 2.334 179.020 176.870 -0.307 0.000 1.156 33 L CA 0.901 55.255 54.840 -0.809 0.000 0.866 33 L CB -0.453 40.895 42.059 -1.185 0.000 0.980 33 L HN 0.005 nan 8.230 nan 0.000 0.448 34 E N -0.434 119.631 120.200 -0.225 0.000 2.274 34 E HA -0.158 4.192 4.350 0.000 0.000 0.194 34 E C 0.430 176.940 176.600 -0.151 0.000 0.996 34 E CA 0.349 56.611 56.400 -0.230 0.000 0.840 34 E CB 0.136 29.757 29.700 -0.131 0.000 0.772 34 E HN 0.235 nan 8.360 nan 0.000 0.491 35 D N 1.118 121.500 120.400 -0.031 0.000 2.468 35 D HA -0.019 4.621 4.640 0.000 0.000 0.218 35 D C -0.293 176.064 176.300 0.095 0.000 1.155 35 D CA -0.322 53.701 54.000 0.039 0.000 0.924 35 D CB 0.529 41.383 40.800 0.091 0.000 1.029 35 D HN 0.044 nan 8.370 nan 0.000 0.515 36 D N 1.566 122.024 120.400 0.097 0.000 2.378 36 D HA -0.055 4.585 4.640 0.000 0.000 0.227 36 D C 0.932 177.413 176.300 0.301 0.000 1.012 36 D CA 0.421 54.551 54.000 0.217 0.000 0.905 36 D CB 0.140 41.012 40.800 0.120 0.000 0.895 36 D HN 0.233 nan 8.370 nan 0.000 0.532 37 R N 0.056 120.697 120.500 0.236 0.000 2.565 37 R HA 0.171 4.511 4.340 0.000 0.000 0.347 37 R C 0.087 176.482 176.300 0.160 0.000 1.010 37 R CA -0.124 56.111 56.100 0.225 0.000 1.126 37 R CB 0.799 31.181 30.300 0.137 0.000 1.331 37 R HN 0.201 nan 8.270 nan 0.000 0.552 38 S N 0.222 116.021 115.700 0.164 0.000 2.601 38 S HA 0.256 4.726 4.470 0.000 0.000 0.271 38 S C -1.865 172.826 174.600 0.152 0.000 1.305 38 S CA -1.203 57.085 58.200 0.146 0.000 1.022 38 S CB 1.655 64.958 63.200 0.171 0.000 0.940 38 S HN -0.220 nan 8.310 nan 0.000 0.525 39 P HA -0.081 nan 4.420 nan 0.000 0.216 39 P C 1.377 178.758 177.300 0.135 0.000 1.150 39 P CA 1.055 64.219 63.100 0.107 0.000 0.837 39 P CB 0.078 31.821 31.700 0.071 0.000 0.786 40 E N -0.987 119.301 120.200 0.147 0.000 2.077 40 E HA -0.142 4.208 4.350 0.000 0.000 0.193 40 E C 1.531 178.364 176.600 0.387 0.000 0.989 40 E CA 1.481 57.990 56.400 0.182 0.000 0.800 40 E CB -0.239 29.490 29.700 0.048 0.000 0.746 40 E HN 0.163 nan 8.360 nan 0.000 0.452 41 T N 0.792 115.584 114.554 0.397 0.000 2.812 41 T HA -0.108 4.242 4.350 0.000 0.000 0.264 41 T C 1.491 176.339 174.700 0.246 0.000 1.042 41 T CA 1.202 63.493 62.100 0.319 0.000 1.140 41 T CB -0.151 68.836 68.868 0.199 0.000 0.870 41 T HN 0.263 nan 8.240 nan 0.000 0.445 42 E N 1.260 121.581 120.200 0.201 0.000 2.153 42 E HA -0.063 4.287 4.350 0.000 0.000 0.194 42 E C 2.509 179.183 176.600 0.124 0.000 0.988 42 E CA 0.955 57.443 56.400 0.147 0.000 0.811 42 E CB -0.191 29.595 29.700 0.143 0.000 0.746 42 E HN 0.476 nan 8.360 nan 0.000 0.466 43 A N 0.808 123.721 122.820 0.156 0.000 1.930 43 A HA -0.168 4.152 4.320 0.000 0.000 0.217 43 A C 1.830 179.500 177.584 0.142 0.000 1.175 43 A CA 0.989 53.101 52.037 0.124 0.000 0.627 43 A CB -0.835 18.240 19.000 0.125 0.000 0.815 43 A HN 0.486 nan 8.150 nan 0.000 0.443 44 W N 0.565 121.876 121.300 0.018 0.000 2.381 44 W HA -0.154 4.506 4.660 0.000 0.000 0.301 44 W C 1.957 178.383 176.519 -0.156 0.000 1.205 44 W CA 2.110 59.438 57.345 -0.028 0.000 1.285 44 W CB -0.291 29.168 29.460 -0.001 0.000 1.133 44 W HN 0.097 nan 8.180 nan 0.000 0.521 45 V N 1.325 121.236 119.914 -0.006 0.000 2.255 45 V HA -0.371 3.749 4.120 0.000 0.000 0.247 45 V C 2.445 178.392 176.094 -0.244 0.000 1.051 45 V CA 2.498 64.652 62.300 -0.243 0.000 1.018 45 V CB -1.161 30.587 31.823 -0.124 0.000 0.641 45 V HN 0.210 nan 8.190 nan 0.000 0.445 46 K N 0.117 120.447 120.400 -0.118 0.000 2.044 46 K HA -0.234 4.086 4.320 0.000 0.000 0.210 46 K C 2.143 178.658 176.600 -0.141 0.000 1.049 46 K CA 1.844 58.074 56.287 -0.095 0.000 0.927 46 K CB -0.387 32.093 32.500 -0.033 0.000 0.713 46 K HN 0.442 nan 8.250 nan 0.000 0.443 47 A N 0.687 123.403 122.820 -0.174 0.000 1.898 47 A HA -0.155 4.165 4.320 0.000 0.000 0.216 47 A C 2.073 179.486 177.584 -0.285 0.000 1.181 47 A CA 1.182 53.105 52.037 -0.189 0.000 0.620 47 A CB -0.429 18.475 19.000 -0.160 0.000 0.819 47 A HN 0.361 nan 8.150 nan 0.000 0.442 48 Q N 0.074 119.573 119.800 -0.502 0.000 2.084 48 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 48 Q C 1.798 177.602 176.000 -0.327 0.000 0.978 48 Q CA 1.790 57.259 55.803 -0.557 0.000 0.844 48 Q CB -0.607 27.535 28.738 -0.993 0.000 0.898 48 Q HN 0.825 nan 8.270 nan 0.000 0.426 49 N N 0.212 118.749 118.700 -0.273 0.000 2.120 49 N HA -0.131 4.609 4.740 0.000 0.000 0.188 49 N C 1.775 177.211 175.510 -0.122 0.000 1.024 49 N CA 0.890 53.837 53.050 -0.172 0.000 0.852 49 N CB -0.029 38.377 38.487 -0.135 0.000 1.003 49 N HN 0.218 nan 8.380 nan 0.000 0.424 50 A N 0.679 123.430 122.820 -0.116 0.000 1.883 50 A HA -0.114 4.206 4.320 0.000 0.000 0.217 50 A C 2.378 179.924 177.584 -0.065 0.000 1.186 50 A CA 1.231 53.221 52.037 -0.078 0.000 0.624 50 A CB -0.799 18.158 19.000 -0.070 0.000 0.822 50 A HN 0.111 nan 8.150 nan 0.000 0.444 51 V N -0.359 119.507 119.914 -0.079 0.000 2.295 51 V HA -0.224 3.897 4.120 0.000 0.000 0.246 51 V C 2.773 178.862 176.094 -0.007 0.000 1.049 51 V CA 2.489 64.765 62.300 -0.039 0.000 1.024 51 V CB -1.218 30.586 31.823 -0.030 0.000 0.648 51 V HN 0.621 nan 8.190 nan 0.000 0.447 52 T N -0.875 113.646 114.554 -0.055 0.000 2.684 52 T HA -0.235 4.115 4.350 0.000 0.000 0.267 52 T C 1.997 176.704 174.700 0.012 0.000 1.036 52 T CA 1.390 63.463 62.100 -0.045 0.000 1.148 52 T CB -0.280 68.514 68.868 -0.123 0.000 0.863 52 T HN 0.346 nan 8.240 nan 0.000 0.436 53 Q N 0.827 120.613 119.800 -0.024 0.000 2.084 53 Q HA -0.127 4.213 4.340 0.000 0.000 0.202 53 Q C 2.180 178.177 176.000 -0.005 0.000 0.978 53 Q CA 1.624 57.416 55.803 -0.019 0.000 0.844 53 Q CB -0.774 27.941 28.738 -0.038 0.000 0.898 53 Q HN 0.612 nan 8.270 nan 0.000 0.426 54 D N -0.691 119.707 120.400 -0.003 0.000 2.149 54 D HA -0.209 4.431 4.640 0.000 0.000 0.198 54 D C 1.766 178.066 176.300 -0.001 0.000 0.990 54 D CA 0.939 54.930 54.000 -0.016 0.000 0.839 54 D CB -0.150 40.636 40.800 -0.023 0.000 0.948 54 D HN 0.287 nan 8.370 nan 0.000 0.460 55 Y N 0.290 120.557 120.300 -0.055 0.000 2.263 55 Y HA 0.013 4.563 4.550 0.000 0.000 0.292 55 Y C 1.845 177.710 175.900 -0.058 0.000 1.130 55 Y CA 1.203 59.289 58.100 -0.024 0.000 1.179 55 Y CB 0.014 38.499 38.460 0.041 0.000 0.998 55 Y HN 0.026 nan 8.280 nan 0.000 0.532 56 L N -0.731 120.537 121.223 0.076 0.000 2.240 56 L HA -0.074 4.266 4.340 0.000 0.000 0.211 56 L C 2.592 179.363 176.870 -0.165 0.000 1.106 56 L CA 0.804 55.631 54.840 -0.021 0.000 0.793 56 L CB -0.746 41.338 42.059 0.042 0.000 0.927 56 L HN 0.256 nan 8.230 nan 0.000 0.446 57 A N -0.646 122.093 122.820 -0.136 0.000 2.121 57 A HA -0.145 4.175 4.320 0.000 0.000 0.218 57 A C 2.006 179.461 177.584 -0.216 0.000 1.154 57 A CA 0.910 52.861 52.037 -0.145 0.000 0.679 57 A CB -0.196 18.745 19.000 -0.098 0.000 0.795 57 A HN 0.397 nan 8.150 nan 0.000 0.458 58 Q N -0.410 119.200 119.800 -0.318 0.000 2.444 58 Q HA 0.178 4.518 4.340 0.000 0.000 0.206 58 Q C -0.123 175.542 176.000 -0.558 0.000 0.948 58 Q CA 0.371 55.944 55.803 -0.383 0.000 0.946 58 Q CB -0.057 28.415 28.738 -0.444 0.000 1.027 58 Q HN 0.692 nan 8.270 nan 0.000 0.513 59 I N 2.182 122.383 120.570 -0.614 0.000 2.304 59 I HA 0.096 4.266 4.170 0.000 0.000 0.291 59 I C -1.507 174.305 176.117 -0.509 0.000 1.018 59 I CA -1.898 58.940 61.300 -0.770 0.000 1.260 59 I CB 1.299 38.846 38.000 -0.755 0.000 1.390 59 I HN -0.162 nan 8.210 nan 0.000 0.475 60 P HA -0.202 nan 4.420 nan 0.000 0.215 60 P C 0.804 178.022 177.300 -0.137 0.000 1.157 60 P CA 1.685 64.653 63.100 -0.220 0.000 0.874 60 P CB -0.042 31.613 31.700 -0.074 0.000 0.790 61 Y N -2.140 118.186 120.300 0.043 0.000 2.470 61 Y HA 0.422 4.972 4.550 0.000 0.000 0.284 61 Y C 2.123 178.060 175.900 0.063 0.000 1.188 61 Y CA -0.820 57.314 58.100 0.058 0.000 1.269 61 Y CB -1.118 37.389 38.460 0.079 0.000 1.094 61 Y HN -0.226 nan 8.280 nan 0.000 0.518 62 R N 1.540 122.030 120.500 -0.017 0.000 2.080 62 R HA -0.174 4.166 4.340 0.000 0.000 0.236 62 R C 2.354 178.713 176.300 0.099 0.000 1.137 62 R CA 1.815 57.953 56.100 0.063 0.000 0.943 62 R CB -0.561 29.719 30.300 -0.034 0.000 0.846 62 R HN 0.449 nan 8.270 nan 0.000 0.431 63 A N 0.348 123.201 122.820 0.055 0.000 2.024 63 A HA -0.097 4.223 4.320 0.000 0.000 0.220 63 A C 2.273 179.910 177.584 0.088 0.000 1.164 63 A CA 1.673 53.744 52.037 0.057 0.000 0.643 63 A CB -0.661 18.357 19.000 0.030 0.000 0.806 63 A HN 0.595 nan 8.150 nan 0.000 0.451 64 A N -0.034 122.858 122.820 0.120 0.000 1.897 64 A HA 0.000 4.320 4.320 0.000 0.000 0.215 64 A C 2.084 179.753 177.584 0.142 0.000 1.181 64 A CA 1.334 53.447 52.037 0.126 0.000 0.620 64 A CB -0.505 18.582 19.000 0.145 0.000 0.821 64 A HN 0.471 nan 8.150 nan 0.000 0.443 65 I N -0.410 120.272 120.570 0.187 0.000 2.226 65 I HA -0.263 3.907 4.170 0.000 0.000 0.245 65 I C 2.559 178.793 176.117 0.196 0.000 1.100 65 I CA 1.768 63.194 61.300 0.210 0.000 1.374 65 I CB -0.238 37.934 38.000 0.287 0.000 1.057 65 I HN 0.400 nan 8.210 nan 0.000 0.413 66 K N 1.353 121.848 120.400 0.157 0.000 1.985 66 K HA -0.237 4.083 4.320 0.000 0.000 0.210 66 K C 1.979 178.646 176.600 0.110 0.000 1.047 66 K CA 1.837 58.195 56.287 0.118 0.000 0.932 66 K CB -0.116 32.425 32.500 0.070 0.000 0.716 66 K HN 0.269 nan 8.250 nan 0.000 0.439 67 E N 0.537 120.794 120.200 0.094 0.000 2.086 67 E HA -0.265 4.085 4.350 0.000 0.000 0.200 67 E C 2.134 178.801 176.600 0.112 0.000 1.012 67 E CA 1.688 58.139 56.400 0.086 0.000 0.812 67 E CB -0.057 29.686 29.700 0.071 0.000 0.743 67 E HN 0.281 nan 8.360 nan 0.000 0.453 68 K N 0.801 121.278 120.400 0.128 0.000 2.063 68 K HA -0.181 4.139 4.320 0.000 0.000 0.208 68 K C 2.163 178.884 176.600 0.203 0.000 1.048 68 K CA 1.096 57.469 56.287 0.143 0.000 0.928 68 K CB -0.091 32.494 32.500 0.141 0.000 0.713 68 K HN 0.069 nan 8.250 nan 0.000 0.442 69 L N 0.250 121.622 121.223 0.248 0.000 2.017 69 L HA -0.158 4.182 4.340 0.000 0.000 0.208 69 L C 2.561 179.666 176.870 0.391 0.000 1.073 69 L CA 1.312 56.372 54.840 0.368 0.000 0.745 69 L CB -0.455 41.834 42.059 0.383 0.000 0.894 69 L HN 0.295 nan 8.230 nan 0.000 0.432 70 A N -0.371 122.584 122.820 0.225 0.000 2.015 70 A HA -0.088 4.232 4.320 0.000 0.000 0.219 70 A C 2.391 180.097 177.584 0.203 0.000 1.163 70 A CA 1.509 53.645 52.037 0.166 0.000 0.646 70 A CB -0.547 18.488 19.000 0.058 0.000 0.806 70 A HN 0.410 nan 8.150 nan 0.000 0.448 71 A N -0.197 122.731 122.820 0.180 0.000 2.067 71 A HA 0.114 4.434 4.320 0.000 0.000 0.217 71 A C 2.136 179.816 177.584 0.161 0.000 1.156 71 A CA 1.699 53.821 52.037 0.141 0.000 0.683 71 A CB -0.370 18.686 19.000 0.093 0.000 0.808 71 A HN 0.928 nan 8.150 nan 0.000 0.455 72 S N -3.126 112.715 115.700 0.235 0.000 2.559 72 S HA 0.003 4.473 4.470 0.000 0.000 0.226 72 S C 1.490 176.335 174.600 0.408 0.000 1.000 72 S CA -0.128 58.211 58.200 0.232 0.000 0.948 72 S CB -0.506 62.801 63.200 0.179 0.000 0.870 72 S HN 0.639 nan 8.310 nan 0.000 0.497 73 W N 3.223 124.665 121.300 0.236 0.000 2.355 73 W HA 0.118 4.778 4.660 0.000 0.000 0.309 73 W C -0.129 176.534 176.519 0.240 0.000 1.206 73 W CA 0.947 58.431 57.345 0.232 0.000 1.284 73 W CB -0.472 29.069 29.460 0.135 0.000 1.145 73 W HN 0.351 nan 8.180 nan 0.000 0.502 74 N N -0.672 118.281 118.700 0.423 0.000 2.443 74 N HA 0.315 5.055 4.740 0.000 0.000 0.295 74 N C -1.574 174.093 175.510 0.263 0.000 1.076 74 N CA -0.394 52.788 53.050 0.221 0.000 0.919 74 N CB 1.577 40.183 38.487 0.199 0.000 1.176 74 N HN -0.120 nan 8.380 nan 0.000 0.487 75 Y N -1.510 118.851 120.300 0.103 0.000 2.573 75 Y HA 0.574 5.124 4.550 0.000 0.000 0.328 75 Y C -1.051 174.884 175.900 0.057 0.000 1.170 75 Y CA -1.629 56.514 58.100 0.070 0.000 1.078 75 Y CB 0.129 38.629 38.460 0.066 0.000 1.341 75 Y HN 0.520 nan 8.280 nan 0.000 0.459 76 A N 2.951 125.888 122.820 0.195 0.000 2.507 76 A HA 0.553 4.873 4.320 0.000 0.000 0.235 76 A C -0.401 177.271 177.584 0.147 0.000 1.070 76 A CA -0.127 51.978 52.037 0.114 0.000 0.768 76 A CB 0.133 19.180 19.000 0.079 0.000 1.011 76 A HN 0.715 nan 8.150 nan 0.000 0.502 77 K N 0.210 120.660 120.400 0.083 0.000 2.482 77 K HA 0.630 4.950 4.320 0.000 0.000 0.257 77 K C -1.087 175.566 176.600 0.088 0.000 0.969 77 K CA -0.594 55.749 56.287 0.093 0.000 0.842 77 K CB 2.588 35.125 32.500 0.062 0.000 1.359 77 K HN 0.786 nan 8.250 nan 0.000 0.441 78 E N 0.376 120.629 120.200 0.090 0.000 2.321 78 E HA 0.408 4.758 4.350 0.000 0.000 0.278 78 E C -1.108 175.577 176.600 0.143 0.000 0.902 78 E CA -0.702 55.768 56.400 0.116 0.000 0.758 78 E CB 1.870 31.587 29.700 0.027 0.000 1.213 78 E HN 0.755 nan 8.360 nan 0.000 0.426 79 G N 1.418 110.362 108.800 0.240 0.000 2.511 79 G HA2 0.621 4.582 3.960 0.000 0.000 0.316 79 G HA3 0.621 4.582 3.960 0.000 0.000 0.316 79 G C -0.432 174.576 174.900 0.180 0.000 1.210 79 G CA -0.189 45.053 45.100 0.237 0.000 0.969 79 G HN 0.588 nan 8.290 nan 0.000 0.492 80 A N 0.829 123.712 122.820 0.105 0.000 2.425 80 A HA 0.573 4.893 4.320 0.000 0.000 0.242 80 A C -1.822 175.753 177.584 -0.015 0.000 1.077 80 A CA -0.737 51.212 52.037 -0.145 0.000 0.781 80 A CB 0.064 18.993 19.000 -0.119 0.000 1.020 80 A HN 0.518 nan 8.150 nan 0.000 0.494 81 P HA 0.526 nan 4.420 nan 0.000 0.288 81 P C -1.273 176.120 177.300 0.156 0.000 1.267 81 P CA -0.044 63.038 63.100 -0.029 0.000 0.815 81 P CB 0.865 32.474 31.700 -0.152 0.000 0.989 82 F N -0.073 119.940 119.950 0.105 0.000 2.556 82 F HA 0.738 5.265 4.527 0.000 0.000 0.314 82 F C -0.118 175.622 175.800 -0.100 0.000 1.106 82 F CA -1.859 56.159 58.000 0.030 0.000 0.911 82 F CB 1.260 40.298 39.000 0.063 0.000 1.190 82 F HN 0.073 nan 8.300 nan 0.000 0.448 83 R N 2.028 122.449 120.500 -0.130 0.000 2.340 83 R HA 0.472 4.812 4.340 0.000 0.000 0.300 83 R C -1.134 175.072 176.300 -0.156 0.000 1.069 83 R CA 0.114 56.003 56.100 -0.351 0.000 0.984 83 R CB 0.451 30.512 30.300 -0.397 0.000 1.003 83 R HN 0.711 nan 8.270 nan 0.000 0.459 84 E N 3.467 123.549 120.200 -0.196 0.000 2.409 84 E HA 0.306 4.656 4.350 0.000 0.000 0.259 84 E C 0.208 176.714 176.600 -0.157 0.000 0.932 84 E CA 0.207 56.412 56.400 -0.326 0.000 0.809 84 E CB 1.389 30.446 29.700 -1.072 0.000 1.341 84 E HN 0.845 nan 8.360 nan 0.000 0.405 85 G N 4.403 113.138 108.800 -0.108 0.000 2.543 85 G HA2 -0.390 3.570 3.960 0.000 0.000 0.286 85 G HA3 -0.390 3.570 3.960 0.000 0.000 0.286 85 G C 0.480 175.339 174.900 -0.068 0.000 1.153 85 G CA 0.469 45.539 45.100 -0.050 0.000 0.968 85 G HN 0.542 nan 8.290 nan 0.000 0.544 86 R N 0.036 120.475 120.500 -0.101 0.000 2.552 86 R HA 0.572 4.912 4.340 0.000 0.000 0.314 86 R C -0.452 175.557 176.300 -0.485 0.000 1.041 86 R CA -0.213 55.717 56.100 -0.283 0.000 1.076 86 R CB 0.120 30.197 30.300 -0.373 0.000 1.290 86 R HN 0.529 nan 8.270 nan 0.000 0.563 87 Y N -0.831 119.407 120.300 -0.104 0.000 2.588 87 Y HA 0.397 4.947 4.550 0.000 0.000 0.343 87 Y C -0.535 175.218 175.900 -0.245 0.000 1.065 87 Y CA -1.301 56.676 58.100 -0.205 0.000 1.038 87 Y CB 1.563 39.726 38.460 -0.495 0.000 1.297 87 Y HN 0.037 nan 8.280 nan 0.000 0.467 88 H N 0.331 119.302 119.070 -0.165 0.000 2.459 88 H HA 0.481 5.037 4.556 0.000 0.000 0.332 88 H C -1.501 173.589 175.328 -0.396 0.000 1.094 88 H CA -0.797 55.157 56.048 -0.156 0.000 1.224 88 H CB 0.821 30.561 29.762 -0.036 0.000 1.449 88 H HN 0.487 nan 8.280 nan 0.000 0.484 89 Y N 3.014 123.001 120.300 -0.522 0.000 2.509 89 Y HA 0.478 5.028 4.550 0.000 0.000 0.341 89 Y C -0.661 174.839 175.900 -0.666 0.000 1.038 89 Y CA -1.000 56.611 58.100 -0.815 0.000 1.089 89 Y CB 1.448 39.132 38.460 -1.292 0.000 1.241 89 Y HN 0.560 nan 8.280 nan 0.000 0.468 90 F N -0.768 118.987 119.950 -0.326 0.000 2.688 90 F HA 0.623 5.150 4.527 0.000 0.000 0.308 90 F C -2.065 173.745 175.800 0.016 0.000 1.117 90 F CA -1.808 56.144 58.000 -0.080 0.000 0.976 90 F CB 0.745 39.726 39.000 -0.032 0.000 1.291 90 F HN 0.166 nan 8.300 nan 0.000 0.439 91 F N 2.203 122.364 119.950 0.352 0.000 2.385 91 F HA 0.692 5.219 4.527 0.000 0.000 0.336 91 F C 0.230 176.186 175.800 0.260 0.000 1.100 91 F CA -0.248 57.919 58.000 0.277 0.000 1.116 91 F CB 1.695 40.845 39.000 0.250 0.000 1.166 91 F HN 0.438 nan 8.300 nan 0.000 0.511 92 K N 1.529 122.198 120.400 0.450 0.000 2.482 92 K HA 0.397 4.717 4.320 0.000 0.000 0.257 92 K C -1.393 175.363 176.600 0.259 0.000 0.969 92 K CA -1.187 55.253 56.287 0.256 0.000 0.842 92 K CB 2.296 34.792 32.500 -0.006 0.000 1.359 92 K HN 0.478 nan 8.250 nan 0.000 0.441 93 N N 1.357 120.152 118.700 0.159 0.000 2.478 93 N HA 0.079 4.819 4.740 0.000 0.000 0.291 93 N C -0.622 174.942 175.510 0.090 0.000 1.090 93 N CA -0.194 52.933 53.050 0.129 0.000 0.911 93 N CB 1.806 40.343 38.487 0.084 0.000 1.546 93 N HN 0.551 nan 8.380 nan 0.000 0.500 94 D N 2.512 122.973 120.400 0.101 0.000 2.228 94 D HA -0.052 4.588 4.640 0.000 0.000 0.203 94 D C 1.322 177.658 176.300 0.060 0.000 0.988 94 D CA 2.191 56.241 54.000 0.083 0.000 0.864 94 D CB 0.146 40.999 40.800 0.088 0.000 0.928 94 D HN 0.939 nan 8.370 nan 0.000 0.469 95 G N -0.848 107.973 108.800 0.035 0.000 2.238 95 G HA2 -0.278 3.682 3.960 0.000 0.000 0.217 95 G HA3 -0.278 3.682 3.960 0.000 0.000 0.217 95 G C 0.933 175.843 174.900 0.015 0.000 0.996 95 G CA 0.538 45.633 45.100 -0.009 0.000 0.632 95 G HN 0.346 nan 8.290 nan 0.000 0.503 96 L N -1.493 119.756 121.223 0.044 0.000 2.547 96 L HA 0.578 4.918 4.340 0.000 0.000 0.218 96 L C 0.976 177.875 176.870 0.048 0.000 1.048 96 L CA 0.273 55.144 54.840 0.052 0.000 0.859 96 L CB -0.960 41.133 42.059 0.057 0.000 1.128 96 L HN 0.221 nan 8.230 nan 0.000 0.483 97 Q N 2.302 122.134 119.800 0.054 0.000 2.304 97 Q HA -0.081 4.259 4.340 0.000 0.000 0.315 97 Q C 0.755 176.783 176.000 0.047 0.000 1.075 97 Q CA 0.336 56.173 55.803 0.056 0.000 0.988 97 Q CB 0.389 29.173 28.738 0.077 0.000 1.146 97 Q HN 0.371 nan 8.270 nan 0.000 0.383 98 N N 1.907 120.631 118.700 0.041 0.000 2.142 98 N HA -0.149 4.591 4.740 0.000 0.000 0.186 98 N C -0.266 175.264 175.510 0.033 0.000 1.023 98 N CA 1.328 54.399 53.050 0.034 0.000 0.852 98 N CB 0.483 38.988 38.487 0.030 0.000 0.998 98 N HN 0.563 nan 8.380 nan 0.000 0.424 99 Q N 0.840 120.664 119.800 0.040 0.000 2.345 99 Q HA 0.292 4.632 4.340 0.000 0.000 0.268 99 Q C -0.968 175.078 176.000 0.076 0.000 1.054 99 Q CA -0.876 54.952 55.803 0.042 0.000 0.835 99 Q CB 1.510 30.271 28.738 0.037 0.000 1.339 99 Q HN 0.180 nan 8.270 nan 0.000 0.447 100 N N 0.669 119.415 118.700 0.077 0.000 2.479 100 N HA 0.101 4.841 4.740 0.000 0.000 0.257 100 N C -0.676 175.018 175.510 0.307 0.000 1.232 100 N CA 0.155 53.310 53.050 0.175 0.000 0.920 100 N CB 0.740 39.285 38.487 0.097 0.000 1.105 100 N HN 0.213 nan 8.380 nan 0.000 0.444 101 V N 1.999 122.139 119.914 0.377 0.000 2.532 101 V HA 0.263 4.383 4.120 0.000 0.000 0.295 101 V C 0.107 176.417 176.094 0.360 0.000 1.041 101 V CA -0.911 61.572 62.300 0.306 0.000 0.926 101 V CB 1.721 33.690 31.823 0.244 0.000 0.992 101 V HN 0.409 nan 8.190 nan 0.000 0.457 102 L N 4.574 125.842 121.223 0.075 0.000 2.257 102 L HA 0.536 4.876 4.340 0.000 0.000 0.290 102 L C -1.017 175.743 176.870 -0.183 0.000 1.044 102 L CA -0.088 54.622 54.840 -0.217 0.000 0.810 102 L CB 0.534 42.439 42.059 -0.257 0.000 1.193 102 L HN 0.621 nan 8.230 nan 0.000 0.425 103 W N 5.238 126.220 121.300 -0.530 0.000 2.516 103 W HA 0.676 5.336 4.660 0.000 0.000 0.343 103 W C 0.049 176.035 176.519 -0.889 0.000 1.094 103 W CA -0.452 56.477 57.345 -0.693 0.000 1.250 103 W CB 1.086 29.929 29.460 -1.027 0.000 1.308 103 W HN 0.422 nan 8.180 nan 0.000 0.588 104 R N 1.866 122.085 120.500 -0.469 0.000 2.686 104 R HA 0.507 4.847 4.340 0.000 0.000 0.286 104 R C -1.350 174.789 176.300 -0.268 0.000 0.969 104 R CA -0.686 54.998 56.100 -0.693 0.000 0.898 104 R CB 1.902 31.651 30.300 -0.919 0.000 1.183 104 R HN 0.635 nan 8.270 nan 0.000 0.456 105 Q N 2.434 122.150 119.800 -0.140 0.000 2.289 105 Q HA 0.216 4.556 4.340 0.000 0.000 0.270 105 Q C -1.945 174.152 176.000 0.160 0.000 1.038 105 Q CA -0.689 55.179 55.803 0.109 0.000 0.812 105 Q CB 2.287 31.175 28.738 0.250 0.000 1.300 105 Q HN 0.645 nan 8.270 nan 0.000 0.427 106 Q N 2.579 122.478 119.800 0.165 0.000 2.316 106 Q HA 0.167 4.508 4.340 0.000 0.000 0.264 106 Q C 0.084 176.080 176.000 -0.006 0.000 0.987 106 Q CA -0.307 55.532 55.803 0.060 0.000 0.852 106 Q CB 1.584 30.351 28.738 0.048 0.000 1.287 106 Q HN 0.835 nan 8.270 nan 0.000 0.448 107 E N 2.661 122.831 120.200 -0.049 0.000 2.335 107 E HA -0.306 4.044 4.350 0.000 0.000 0.236 107 E C 1.220 177.797 176.600 -0.037 0.000 1.103 107 E CA 2.636 59.003 56.400 -0.055 0.000 1.010 107 E CB -0.399 29.265 29.700 -0.059 0.000 0.859 107 E HN 0.891 nan 8.360 nan 0.000 0.473 108 G N -0.241 108.542 108.800 -0.029 0.000 2.605 108 G HA2 -0.121 3.840 3.960 0.000 0.000 0.215 108 G HA3 -0.121 3.840 3.960 0.000 0.000 0.215 108 G C 0.520 175.420 174.900 -0.000 0.000 1.279 108 G CA 0.580 45.671 45.100 -0.016 0.000 0.831 108 G HN 0.177 nan 8.290 nan 0.000 0.560 109 K N 1.139 121.549 120.400 0.017 0.000 2.170 109 K HA 0.248 4.568 4.320 0.000 0.000 0.241 109 K C -1.953 174.672 176.600 0.041 0.000 1.071 109 K CA -0.756 55.550 56.287 0.032 0.000 0.822 109 K CB -0.021 32.508 32.500 0.049 0.000 1.097 109 K HN 0.202 nan 8.250 nan 0.000 0.522 110 P HA 0.268 nan 4.420 nan 0.000 0.285 110 P C -1.250 176.126 177.300 0.127 0.000 1.285 110 P CA -0.720 62.423 63.100 0.072 0.000 0.854 110 P CB 1.230 32.967 31.700 0.063 0.000 1.180 111 A N 1.430 124.360 122.820 0.182 0.000 2.555 111 A HA 0.223 4.543 4.320 0.000 0.000 0.233 111 A C 0.418 178.237 177.584 0.392 0.000 1.060 111 A CA 0.423 52.655 52.037 0.324 0.000 0.759 111 A CB -0.655 18.614 19.000 0.448 0.000 0.995 111 A HN 0.658 nan 8.150 nan 0.000 0.506 112 E N 0.335 120.725 120.200 0.317 0.000 2.383 112 E HA 0.578 4.928 4.350 0.000 0.000 0.275 112 E C -1.325 175.028 176.600 -0.412 0.000 0.918 112 E CA -1.117 55.302 56.400 0.032 0.000 0.764 112 E CB 1.346 31.020 29.700 -0.043 0.000 1.252 112 E HN 0.292 nan 8.360 nan 0.000 0.449 113 V N 2.553 121.902 119.914 -0.941 0.000 2.637 113 V HA 0.020 4.141 4.120 0.000 0.000 0.296 113 V C -0.173 175.613 176.094 -0.514 0.000 1.046 113 V CA 0.315 61.893 62.300 -1.204 0.000 1.066 113 V CB 0.487 31.689 31.823 -1.034 0.000 0.968 113 V HN 0.799 nan 8.190 nan 0.000 0.483 114 F N 4.952 124.558 119.950 -0.573 0.000 2.537 114 F HA 0.519 5.046 4.527 0.000 0.000 0.277 114 F C 0.080 175.712 175.800 -0.280 0.000 1.013 114 F CA 0.212 58.005 58.000 -0.343 0.000 1.332 114 F CB 0.657 39.518 39.000 -0.233 0.000 1.108 114 F HN 0.349 nan 8.300 nan 0.000 0.679 115 L N 1.492 122.514 121.223 -0.336 0.000 2.482 115 L HA 0.388 4.728 4.340 0.000 0.000 0.269 115 L C -1.802 174.929 176.870 -0.232 0.000 0.967 115 L CA -0.356 54.246 54.840 -0.396 0.000 0.851 115 L CB 1.313 43.127 42.059 -0.409 0.000 1.242 115 L HN 0.034 nan 8.230 nan 0.000 0.404 116 D N 6.308 126.576 120.400 -0.220 0.000 2.464 116 D HA 0.433 5.073 4.640 0.000 0.000 0.243 116 D C -2.045 174.199 176.300 -0.092 0.000 1.104 116 D CA -1.901 52.024 54.000 -0.125 0.000 0.883 116 D CB 2.211 42.930 40.800 -0.134 0.000 1.050 116 D HN 0.300 nan 8.370 nan 0.000 0.524 117 P HA -0.079 nan 4.420 nan 0.000 0.219 117 P C 1.111 178.400 177.300 -0.019 0.000 1.146 117 P CA 0.654 63.733 63.100 -0.035 0.000 0.808 117 P CB 0.371 32.076 31.700 0.007 0.000 0.779 118 N N -0.833 117.863 118.700 -0.007 0.000 2.223 118 N HA -0.108 4.632 4.740 0.000 0.000 0.185 118 N C 1.513 177.015 175.510 -0.014 0.000 1.016 118 N CA 2.010 55.060 53.050 -0.000 0.000 0.863 118 N CB -0.878 37.616 38.487 0.012 0.000 0.983 118 N HN 0.303 nan 8.380 nan 0.000 0.429 119 T N -1.445 113.089 114.554 -0.033 0.000 3.194 119 T HA 0.189 4.539 4.350 0.000 0.000 0.251 119 T C 1.643 176.319 174.700 -0.040 0.000 1.132 119 T CA 0.041 62.119 62.100 -0.038 0.000 1.028 119 T CB -0.270 68.564 68.868 -0.056 0.000 0.976 119 T HN 0.098 nan 8.240 nan 0.000 0.535 120 L N 0.414 121.615 121.223 -0.037 0.000 2.554 120 L HA 0.363 4.703 4.340 0.000 0.000 0.225 120 L C 1.079 177.940 176.870 -0.016 0.000 1.104 120 L CA -0.111 54.708 54.840 -0.035 0.000 0.866 120 L CB 0.288 42.321 42.059 -0.043 0.000 1.047 120 L HN 0.262 nan 8.230 nan 0.000 0.468 121 S N -0.782 114.913 115.700 -0.009 0.000 2.733 121 S HA 0.385 4.855 4.470 0.000 0.000 0.294 121 S C -2.061 172.540 174.600 0.001 0.000 1.149 121 S CA -1.150 57.050 58.200 0.000 0.000 1.034 121 S CB 1.582 64.787 63.200 0.008 0.000 1.015 121 S HN -0.195 nan 8.310 nan 0.000 0.486 122 P HA -0.095 nan 4.420 nan 0.000 0.218 122 P C 0.472 177.775 177.300 0.005 0.000 1.146 122 P CA 1.172 64.272 63.100 0.001 0.000 0.820 122 P CB 0.212 31.912 31.700 0.001 0.000 0.778 123 D N -2.709 117.696 120.400 0.008 0.000 2.389 123 D HA 0.141 4.781 4.640 0.000 0.000 0.206 123 D C 1.158 177.466 176.300 0.014 0.000 1.055 123 D CA 0.724 54.731 54.000 0.011 0.000 0.856 123 D CB -0.170 40.638 40.800 0.013 0.000 0.957 123 D HN 0.033 nan 8.370 nan 0.000 0.509 124 G N 0.236 109.043 108.800 0.012 0.000 2.142 124 G HA2 -0.315 3.645 3.960 0.000 0.000 0.225 124 G HA3 -0.315 3.645 3.960 0.000 0.000 0.225 124 G C 1.130 176.042 174.900 0.019 0.000 1.015 124 G CA 1.077 46.186 45.100 0.015 0.000 0.716 124 G HN 0.445 nan 8.290 nan 0.000 0.508 125 T N -2.598 111.968 114.554 0.020 0.000 2.781 125 T HA 0.115 4.465 4.350 0.000 0.000 0.252 125 T C 1.482 176.200 174.700 0.030 0.000 1.039 125 T CA 1.544 63.660 62.100 0.026 0.000 1.147 125 T CB -0.359 68.525 68.868 0.028 0.000 0.865 125 T HN 0.636 nan 8.240 nan 0.000 0.423 126 T N 3.348 117.918 114.554 0.028 0.000 2.656 126 T HA 0.437 4.787 4.350 0.000 0.000 0.263 126 T C 0.052 174.771 174.700 0.032 0.000 1.017 126 T CA 0.289 62.408 62.100 0.032 0.000 1.216 126 T CB -0.430 68.452 68.868 0.022 0.000 0.989 126 T HN 0.746 nan 8.240 nan 0.000 0.507 127 A N 3.738 126.583 122.820 0.043 0.000 2.356 127 A HA 0.760 5.080 4.320 0.000 0.000 0.323 127 A C -0.431 177.187 177.584 0.058 0.000 1.119 127 A CA -0.908 51.154 52.037 0.041 0.000 0.790 127 A CB 1.032 20.054 19.000 0.036 0.000 1.273 127 A HN 0.716 nan 8.150 nan 0.000 0.452 128 L N 1.061 122.317 121.223 0.055 0.000 2.331 128 L HA 0.368 4.708 4.340 0.000 0.000 0.278 128 L C 0.388 177.300 176.870 0.070 0.000 1.106 128 L CA 0.443 55.332 54.840 0.081 0.000 0.824 128 L CB 0.702 42.809 42.059 0.079 0.000 1.142 128 L HN 0.892 nan 8.230 nan 0.000 0.443 129 D N 1.224 121.681 120.400 0.095 0.000 2.949 129 D HA 0.083 4.723 4.640 0.000 0.000 0.247 129 D C -0.332 176.017 176.300 0.081 0.000 1.552 129 D CA 0.361 54.406 54.000 0.075 0.000 1.231 129 D CB 0.576 41.424 40.800 0.080 0.000 0.990 129 D HN 0.510 nan 8.370 nan 0.000 0.270 130 Q N 0.473 120.329 119.800 0.093 0.000 2.230 130 Q HA 0.456 4.796 4.340 0.000 0.000 0.248 130 Q C -0.584 175.481 176.000 0.110 0.000 0.915 130 Q CA -0.387 55.468 55.803 0.088 0.000 0.900 130 Q CB 2.316 31.096 28.738 0.070 0.000 1.229 130 Q HN 0.356 nan 8.270 nan 0.000 0.439 131 L N 1.016 122.300 121.223 0.102 0.000 2.441 131 L HA 0.442 4.782 4.340 0.000 0.000 0.270 131 L C -1.231 175.675 176.870 0.061 0.000 0.973 131 L CA -0.193 54.698 54.840 0.086 0.000 0.842 131 L CB 1.763 43.912 42.059 0.150 0.000 1.239 131 L HN 0.551 nan 8.230 nan 0.000 0.406 132 S N 4.170 119.889 115.700 0.031 0.000 2.736 132 S HA 0.606 5.076 4.470 0.000 0.000 0.285 132 S C -0.953 173.747 174.600 0.168 0.000 1.163 132 S CA -0.389 57.912 58.200 0.168 0.000 1.025 132 S CB 0.635 63.994 63.200 0.264 0.000 1.030 132 S HN 0.408 nan 8.310 nan 0.000 0.486 133 F N 2.946 122.932 119.950 0.059 0.000 2.371 133 F HA 0.437 4.964 4.527 0.000 0.000 0.329 133 F C 1.448 176.833 175.800 -0.691 0.000 1.107 133 F CA -0.246 57.642 58.000 -0.187 0.000 1.137 133 F CB 1.241 40.131 39.000 -0.183 0.000 1.214 133 F HN 0.634 nan 8.300 nan 0.000 0.536 134 S N 1.396 116.510 115.700 -0.977 0.000 2.608 134 S HA 0.174 4.644 4.470 0.000 0.000 0.261 134 S C 1.247 175.546 174.600 -0.502 0.000 1.314 134 S CA -0.738 56.541 58.200 -1.535 0.000 0.992 134 S CB 0.979 63.339 63.200 -1.400 0.000 0.935 134 S HN 0.689 nan 8.310 nan 0.000 0.564 135 R N 1.395 121.735 120.500 -0.266 0.000 2.103 135 R HA -0.144 4.196 4.340 0.000 0.000 0.242 135 R C 1.340 177.596 176.300 -0.073 0.000 1.142 135 R CA 2.341 58.397 56.100 -0.072 0.000 0.960 135 R CB -1.111 29.203 30.300 0.023 0.000 0.858 135 R HN 0.937 nan 8.270 nan 0.000 0.439 136 D N -2.119 118.227 120.400 -0.089 0.000 2.349 136 D HA 0.121 4.761 4.640 0.000 0.000 0.224 136 D C 1.096 177.363 176.300 -0.055 0.000 1.029 136 D CA 0.743 54.712 54.000 -0.053 0.000 0.879 136 D CB -0.150 40.633 40.800 -0.027 0.000 0.906 136 D HN 0.343 nan 8.370 nan 0.000 0.528 137 G N 0.762 109.512 108.800 -0.084 0.000 2.189 137 G HA2 -0.431 3.529 3.960 0.000 0.000 0.267 137 G HA3 -0.431 3.529 3.960 0.000 0.000 0.267 137 G C 1.217 176.155 174.900 0.064 0.000 0.975 137 G CA 0.430 45.497 45.100 -0.054 0.000 0.644 137 G HN 0.459 nan 8.290 nan 0.000 0.537 138 R N -0.792 119.729 120.500 0.035 0.000 2.240 138 R HA 0.302 4.642 4.340 0.000 0.000 0.203 138 R C 0.740 177.106 176.300 0.110 0.000 1.011 138 R CA 0.649 56.802 56.100 0.089 0.000 1.007 138 R CB 0.298 30.633 30.300 0.059 0.000 0.911 138 R HN 0.398 nan 8.270 nan 0.000 0.468 139 I N 0.954 121.548 120.570 0.038 0.000 2.608 139 I HA 0.291 4.461 4.170 0.000 0.000 0.295 139 I C -0.991 175.162 176.117 0.059 0.000 1.049 139 I CA -1.348 59.994 61.300 0.070 0.000 1.063 139 I CB 2.025 40.059 38.000 0.057 0.000 1.248 139 I HN -0.122 nan 8.210 nan 0.000 0.424 140 L N 5.054 126.350 121.223 0.122 0.000 2.376 140 L HA 0.831 5.171 4.340 0.000 0.000 0.275 140 L C -0.516 176.444 176.870 0.150 0.000 0.987 140 L CA -0.228 54.587 54.840 -0.041 0.000 0.828 140 L CB 1.494 43.442 42.059 -0.185 0.000 1.249 140 L HN 0.703 nan 8.230 nan 0.000 0.409 141 A N 4.997 127.898 122.820 0.136 0.000 2.304 141 A HA 0.778 5.098 4.320 0.000 0.000 0.323 141 A C -1.583 175.996 177.584 -0.008 0.000 1.195 141 A CA -0.334 51.667 52.037 -0.060 0.000 0.826 141 A CB 0.530 19.270 19.000 -0.433 0.000 1.184 141 A HN 0.861 nan 8.150 nan 0.000 0.496 142 Y N 0.134 120.361 120.300 -0.123 0.000 2.544 142 Y HA 0.712 5.262 4.550 0.000 0.000 0.342 142 Y C -0.215 175.680 175.900 -0.009 0.000 1.062 142 Y CA -0.879 57.178 58.100 -0.072 0.000 1.023 142 Y CB 1.071 39.497 38.460 -0.057 0.000 1.308 142 Y HN 0.671 nan 8.280 nan 0.000 0.457 143 S N 3.686 119.459 115.700 0.122 0.000 2.509 143 S HA 0.849 5.319 4.470 0.000 0.000 0.297 143 S C -1.154 173.548 174.600 0.171 0.000 1.118 143 S CA -0.732 57.520 58.200 0.086 0.000 1.074 143 S CB 1.343 64.568 63.200 0.042 0.000 1.038 143 S HN 0.775 nan 8.310 nan 0.000 0.498 144 L N 2.446 123.770 121.223 0.168 0.000 2.362 144 L HA 0.664 5.004 4.340 0.000 0.000 0.271 144 L C -0.172 176.770 176.870 0.119 0.000 1.002 144 L CA -0.722 54.208 54.840 0.150 0.000 0.818 144 L CB 2.484 44.628 42.059 0.141 0.000 1.298 144 L HN 0.954 nan 8.230 nan 0.000 0.420 145 S N 2.222 117.979 115.700 0.096 0.000 2.473 145 S HA 0.743 5.213 4.470 0.000 0.000 0.307 145 S C -0.834 173.813 174.600 0.079 0.000 1.094 145 S CA -0.839 57.414 58.200 0.089 0.000 1.070 145 S CB 1.773 65.018 63.200 0.075 0.000 1.019 145 S HN 0.296 nan 8.310 nan 0.000 0.480 146 L N 3.114 124.388 121.223 0.085 0.000 2.357 146 L HA 0.741 5.081 4.340 0.000 0.000 0.273 146 L C 1.240 178.151 176.870 0.067 0.000 1.080 146 L CA 0.941 55.822 54.840 0.069 0.000 0.803 146 L CB 0.386 42.484 42.059 0.065 0.000 1.174 146 L HN 1.221 nan 8.230 nan 0.000 0.443 147 A N 2.953 125.805 122.820 0.053 0.000 5.458 147 A HA -0.251 4.069 4.320 0.000 0.000 0.357 147 A C 1.171 178.789 177.584 0.056 0.000 1.668 147 A CA 1.500 53.567 52.037 0.050 0.000 0.806 147 A CB -1.811 17.218 19.000 0.049 0.000 1.459 147 A HN 1.169 nan 8.150 nan 0.000 0.429 148 G N -0.844 107.991 108.800 0.059 0.000 3.814 148 G HA2 0.469 4.429 3.960 0.000 0.000 0.293 148 G HA3 0.469 4.429 3.960 0.000 0.000 0.293 148 G C 0.237 175.181 174.900 0.073 0.000 1.243 148 G CA 1.393 46.529 45.100 0.061 0.000 1.053 148 G HN 1.191 nan 8.290 nan 0.000 0.562 149 S N -0.744 115.008 115.700 0.087 0.000 2.632 149 S HA 0.268 4.738 4.470 0.000 0.000 0.271 149 S C 0.689 175.329 174.600 0.067 0.000 1.260 149 S CA -0.530 57.740 58.200 0.115 0.000 1.010 149 S CB 1.313 64.620 63.200 0.178 0.000 0.965 149 S HN 0.174 nan 8.310 nan 0.000 0.534 150 D N 1.351 121.742 120.400 -0.015 0.000 2.346 150 D HA 0.134 4.774 4.640 0.000 0.000 0.206 150 D C -0.163 175.937 176.300 -0.333 0.000 1.001 150 D CA 0.176 54.050 54.000 -0.210 0.000 0.871 150 D CB 0.102 40.683 40.800 -0.364 0.000 0.943 150 D HN 0.527 nan 8.370 nan 0.000 0.518 151 W N 1.591 122.841 121.300 -0.084 0.000 2.079 151 W HA 0.269 4.929 4.660 0.000 0.000 0.354 151 W C 1.197 177.692 176.519 -0.040 0.000 1.302 151 W CA -0.133 57.170 57.345 -0.070 0.000 1.281 151 W CB 0.729 30.165 29.460 -0.040 0.000 1.165 151 W HN -0.399 nan 8.180 nan 0.000 0.603 152 R N 0.690 121.333 120.500 0.238 0.000 2.764 152 R HA 0.408 4.748 4.340 0.000 0.000 0.270 152 R C -1.219 175.130 176.300 0.082 0.000 1.014 152 R CA -1.166 55.010 56.100 0.127 0.000 0.904 152 R CB 2.070 32.413 30.300 0.072 0.000 1.236 152 R HN 0.520 nan 8.270 nan 0.000 0.466 153 E N 1.126 121.335 120.200 0.015 0.000 2.317 153 E HA 0.496 4.846 4.350 0.000 0.000 0.270 153 E C -0.602 175.884 176.600 -0.190 0.000 0.885 153 E CA -0.747 55.574 56.400 -0.130 0.000 0.760 153 E CB 2.792 32.377 29.700 -0.192 0.000 1.227 153 E HN 0.329 nan 8.360 nan 0.000 0.434 154 I N 2.924 123.288 120.570 -0.342 0.000 2.354 154 I HA 0.232 4.402 4.170 0.000 0.000 0.286 154 I C -0.647 175.160 176.117 -0.516 0.000 1.007 154 I CA -0.570 60.511 61.300 -0.365 0.000 1.167 154 I CB 0.588 38.355 38.000 -0.389 0.000 1.320 154 I HN 0.410 nan 8.210 nan 0.000 0.458 155 H N 6.031 124.740 119.070 -0.603 0.000 2.481 155 H HA 0.560 5.116 4.556 0.000 0.000 0.339 155 H C -0.621 174.383 175.328 -0.540 0.000 1.131 155 H CA -0.326 55.337 56.048 -0.642 0.000 1.301 155 H CB 1.224 30.413 29.762 -0.955 0.000 1.476 155 H HN 0.391 nan 8.280 nan 0.000 0.529 156 L N 3.071 124.205 121.223 -0.148 0.000 2.325 156 L HA 0.411 4.751 4.340 0.000 0.000 0.281 156 L C -0.536 176.386 176.870 0.086 0.000 1.004 156 L CA -0.333 54.514 54.840 0.011 0.000 0.823 156 L CB 1.190 43.304 42.059 0.091 0.000 1.236 156 L HN 0.448 nan 8.230 nan 0.000 0.415 157 M N 2.880 122.580 119.600 0.165 0.000 2.393 157 M HA 0.337 4.817 4.480 0.000 0.000 0.316 157 M C -1.209 175.196 176.300 0.174 0.000 1.087 157 M CA -0.598 54.807 55.300 0.176 0.000 0.937 157 M CB 2.265 35.007 32.600 0.236 0.000 1.668 157 M HN 0.506 nan 8.290 nan 0.000 0.438 158 D N 3.127 123.610 120.400 0.139 0.000 2.336 158 D HA 0.192 4.832 4.640 0.000 0.000 0.249 158 D C 0.871 177.280 176.300 0.182 0.000 1.213 158 D CA -0.215 53.872 54.000 0.145 0.000 0.870 158 D CB 1.107 41.972 40.800 0.108 0.000 1.076 158 D HN 0.430 nan 8.370 nan 0.000 0.483 159 V N 3.688 123.751 119.914 0.247 0.000 2.282 159 V HA -0.232 3.888 4.120 0.000 0.000 0.249 159 V C 2.140 178.404 176.094 0.282 0.000 1.057 159 V CA 1.752 64.269 62.300 0.360 0.000 1.032 159 V CB -0.571 31.457 31.823 0.342 0.000 0.645 159 V HN 0.615 nan 8.190 nan 0.000 0.447 160 E N 0.527 120.848 120.200 0.201 0.000 2.077 160 E HA -0.148 4.202 4.350 0.000 0.000 0.193 160 E C 2.385 179.055 176.600 0.118 0.000 0.989 160 E CA 1.611 58.110 56.400 0.164 0.000 0.800 160 E CB -0.277 29.512 29.700 0.148 0.000 0.746 160 E HN 0.746 nan 8.360 nan 0.000 0.452 161 S N -0.848 114.911 115.700 0.097 0.000 2.503 161 S HA 0.082 4.552 4.470 0.000 0.000 0.217 161 S C 0.734 175.350 174.600 0.027 0.000 0.999 161 S CA 0.362 58.596 58.200 0.057 0.000 0.914 161 S CB 0.040 63.270 63.200 0.049 0.000 0.782 161 S HN 0.239 nan 8.310 nan 0.000 0.520 162 K N -0.275 120.146 120.400 0.036 0.000 3.407 162 K HA -0.124 4.196 4.320 0.000 0.000 0.312 162 K C -0.739 175.829 176.600 -0.053 0.000 1.302 162 K CA 0.942 57.192 56.287 -0.061 0.000 0.931 162 K CB -1.196 31.215 32.500 -0.148 0.000 1.257 162 K HN 0.476 nan 8.250 nan 0.000 0.454 163 Q N -0.107 119.695 119.800 0.003 0.000 2.215 163 Q HA 0.374 4.714 4.340 0.000 0.000 0.256 163 Q C -2.541 173.482 176.000 0.039 0.000 0.972 163 Q CA -2.447 53.362 55.803 0.010 0.000 0.889 163 Q CB 0.644 29.392 28.738 0.015 0.000 1.281 163 Q HN -0.118 nan 8.270 nan 0.000 0.456 164 P HA -0.022 nan 4.420 nan 0.000 0.266 164 P C 0.387 177.718 177.300 0.053 0.000 1.215 164 P CA 0.023 63.154 63.100 0.053 0.000 0.763 164 P CB 0.419 32.145 31.700 0.042 0.000 0.806 165 L N 4.174 125.440 121.223 0.071 0.000 2.044 165 L HA 0.043 4.383 4.340 0.000 0.000 0.205 165 L C 0.601 177.508 176.870 0.060 0.000 1.075 165 L CA 1.940 56.827 54.840 0.079 0.000 0.747 165 L CB -0.113 42.017 42.059 0.118 0.000 0.903 165 L HN 0.372 nan 8.230 nan 0.000 0.435 166 E N -2.087 118.140 120.200 0.045 0.000 2.456 166 E HA 0.226 4.576 4.350 0.000 0.000 0.276 166 E C -1.043 175.541 176.600 -0.026 0.000 0.981 166 E CA -0.732 55.681 56.400 0.021 0.000 0.814 166 E CB 0.988 30.717 29.700 0.049 0.000 1.382 166 E HN -0.159 nan 8.360 nan 0.000 0.459 167 T N 2.269 116.794 114.554 -0.049 0.000 2.930 167 T HA 0.176 4.526 4.350 0.000 0.000 0.306 167 T C -2.170 172.423 174.700 -0.179 0.000 1.045 167 T CA -1.289 60.755 62.100 -0.094 0.000 1.134 167 T CB 0.314 69.132 68.868 -0.083 0.000 0.961 167 T HN 0.172 nan 8.240 nan 0.000 0.545 168 P HA 0.193 nan 4.420 nan 0.000 0.271 168 P C -0.420 176.647 177.300 -0.389 0.000 1.218 168 P CA -0.353 62.487 63.100 -0.433 0.000 0.780 168 P CB 0.503 31.729 31.700 -0.789 0.000 0.901 169 L N 2.328 123.286 121.223 -0.441 0.000 2.380 169 L HA 0.248 4.588 4.340 0.000 0.000 0.273 169 L C 1.140 177.819 176.870 -0.319 0.000 1.138 169 L CA 0.032 54.616 54.840 -0.428 0.000 0.832 169 L CB 0.012 41.706 42.059 -0.608 0.000 1.124 169 L HN 0.365 nan 8.230 nan 0.000 0.454 170 K N 1.202 121.469 120.400 -0.222 0.000 2.280 170 K HA 0.291 4.611 4.320 0.000 0.000 0.234 170 K C -0.484 176.104 176.600 -0.020 0.000 1.028 170 K CA -0.877 55.334 56.287 -0.126 0.000 0.882 170 K CB 0.921 33.346 32.500 -0.126 0.000 1.194 170 K HN 0.517 nan 8.250 nan 0.000 0.458 171 D N 0.101 120.541 120.400 0.067 0.000 2.723 171 D HA -0.138 4.502 4.640 0.000 0.000 0.236 171 D C -0.969 175.567 176.300 0.393 0.000 1.138 171 D CA 0.612 54.775 54.000 0.272 0.000 0.676 171 D CB -1.397 39.513 40.800 0.183 0.000 1.069 171 D HN 0.049 nan 8.370 nan 0.000 0.430 172 V N 0.146 120.243 119.914 0.306 0.000 2.472 172 V HA 0.555 4.675 4.120 0.000 0.000 0.290 172 V C 0.495 176.691 176.094 0.169 0.000 1.037 172 V CA -0.228 62.219 62.300 0.246 0.000 0.908 172 V CB 2.322 34.213 31.823 0.113 0.000 0.985 172 V HN 0.154 nan 8.190 nan 0.000 0.454 173 K N 3.271 123.730 120.400 0.099 0.000 2.542 173 K HA 0.508 4.828 4.320 0.000 0.000 0.259 173 K C -0.930 175.655 176.600 -0.026 0.000 0.932 173 K CA -0.733 55.417 56.287 -0.228 0.000 0.820 173 K CB 1.013 33.136 32.500 -0.629 0.000 1.345 173 K HN 0.300 nan 8.250 nan 0.000 0.432 174 F N -0.031 119.997 119.950 0.130 0.000 2.970 174 F HA -0.228 4.299 4.527 0.000 0.000 0.251 174 F C 0.021 175.967 175.800 0.243 0.000 0.993 174 F CA 1.037 59.133 58.000 0.160 0.000 0.869 174 F CB -1.968 37.130 39.000 0.164 0.000 0.762 174 F HN 0.328 nan 8.300 nan 0.000 0.817 175 S N -0.714 115.163 115.700 0.294 0.000 2.532 175 S HA 0.880 5.350 4.470 0.000 0.000 0.301 175 S C 0.430 175.137 174.600 0.180 0.000 1.083 175 S CA 0.042 58.386 58.200 0.240 0.000 1.025 175 S CB 1.749 65.097 63.200 0.247 0.000 1.056 175 S HN 0.629 nan 8.310 nan 0.000 0.494 176 G N 1.645 110.545 108.800 0.167 0.000 2.642 176 G HA2 0.731 4.691 3.960 0.000 0.000 0.291 176 G HA3 0.731 4.691 3.960 0.000 0.000 0.291 176 G C -1.140 173.847 174.900 0.146 0.000 1.345 176 G CA -0.760 44.422 45.100 0.137 0.000 1.043 176 G HN 0.748 nan 8.290 nan 0.000 0.528 177 I N 0.285 120.924 120.570 0.116 0.000 2.529 177 I HA 0.325 4.495 4.170 0.000 0.000 0.284 177 I C -0.619 175.580 176.117 0.137 0.000 1.088 177 I CA -0.413 60.923 61.300 0.060 0.000 1.062 177 I CB 2.198 40.114 38.000 -0.141 0.000 1.218 177 I HN 0.370 nan 8.210 nan 0.000 0.442 178 S N 5.410 121.255 115.700 0.241 0.000 2.707 178 S HA 0.520 4.990 4.470 0.000 0.000 0.303 178 S C -1.209 173.657 174.600 0.443 0.000 1.132 178 S CA -0.424 57.981 58.200 0.343 0.000 1.046 178 S CB 0.738 64.137 63.200 0.331 0.000 1.004 178 S HN 0.408 nan 8.310 nan 0.000 0.483 179 W N 3.717 125.233 121.300 0.360 0.000 2.184 179 W HA 0.486 5.146 4.660 0.000 0.000 0.338 179 W C -0.044 176.706 176.519 0.384 0.000 1.257 179 W CA -0.558 57.015 57.345 0.380 0.000 1.243 179 W CB 0.637 30.263 29.460 0.277 0.000 1.122 179 W HN 0.429 nan 8.180 nan 0.000 0.585 180 L N 4.248 125.874 121.223 0.671 0.000 2.337 180 L HA 0.624 4.964 4.340 0.000 0.000 0.269 180 L C 0.648 177.788 176.870 0.450 0.000 1.018 180 L CA 0.332 55.477 54.840 0.508 0.000 0.876 180 L CB 0.092 42.430 42.059 0.466 0.000 1.236 180 L HN 0.787 nan 8.230 nan 0.000 0.436 181 G N 4.658 113.666 108.800 0.348 0.000 2.629 181 G HA2 -0.388 3.572 3.960 0.000 0.000 0.313 181 G HA3 -0.388 3.572 3.960 0.000 0.000 0.313 181 G C 0.619 175.689 174.900 0.283 0.000 1.217 181 G CA 0.613 45.863 45.100 0.250 0.000 0.994 181 G HN 0.677 nan 8.290 nan 0.000 0.549 182 N N 1.137 119.984 118.700 0.246 0.000 2.238 182 N HA 0.178 4.918 4.740 0.000 0.000 0.235 182 N C 1.453 177.166 175.510 0.340 0.000 1.209 182 N CA 0.613 53.798 53.050 0.224 0.000 0.879 182 N CB 1.054 39.595 38.487 0.090 0.000 1.136 182 N HN 0.734 nan 8.380 nan 0.000 0.517 183 E N 0.383 120.808 120.200 0.375 0.000 2.122 183 E HA 0.155 4.505 4.350 0.000 0.000 0.190 183 E C 1.057 177.792 176.600 0.225 0.000 0.977 183 E CA 0.462 57.039 56.400 0.296 0.000 0.820 183 E CB 0.447 30.329 29.700 0.303 0.000 0.770 183 E HN 0.288 nan 8.360 nan 0.000 0.462 184 G N 0.048 108.997 108.800 0.249 0.000 2.336 184 G HA2 0.341 4.301 3.960 0.000 0.000 0.286 184 G HA3 0.341 4.301 3.960 0.000 0.000 0.286 184 G C -1.791 172.728 174.900 -0.634 0.000 1.269 184 G CA -0.612 44.197 45.100 -0.485 0.000 0.873 184 G HN 0.129 nan 8.290 nan 0.000 0.494 185 F N -1.969 117.314 119.950 -1.112 0.000 2.662 185 F HA 0.871 5.398 4.527 0.000 0.000 0.312 185 F C -1.422 174.077 175.800 -0.502 0.000 1.113 185 F CA -2.103 55.470 58.000 -0.711 0.000 0.951 185 F CB 1.071 39.460 39.000 -1.019 0.000 1.344 185 F HN 0.405 nan 8.300 nan 0.000 0.462 186 F N 1.884 122.020 119.950 0.310 0.000 2.399 186 F HA 0.644 5.171 4.527 0.000 0.000 0.334 186 F C -0.275 175.753 175.800 0.380 0.000 1.097 186 F CA -0.653 57.535 58.000 0.314 0.000 1.076 186 F CB 1.351 40.505 39.000 0.257 0.000 1.162 186 F HN 0.635 nan 8.300 nan 0.000 0.495 187 Y N -1.478 119.027 120.300 0.342 0.000 2.638 187 Y HA 0.764 5.314 4.550 0.000 0.000 0.335 187 Y C -1.250 174.753 175.900 0.172 0.000 1.155 187 Y CA -1.380 56.861 58.100 0.236 0.000 1.046 187 Y CB 1.046 39.644 38.460 0.230 0.000 1.303 187 Y HN 0.356 nan 8.280 nan 0.000 0.460 188 S N 1.259 117.041 115.700 0.136 0.000 2.578 188 S HA 0.801 5.271 4.470 0.000 0.000 0.301 188 S C -1.022 173.609 174.600 0.052 0.000 1.091 188 S CA -0.596 57.516 58.200 -0.147 0.000 1.032 188 S CB 1.522 64.480 63.200 -0.403 0.000 1.064 188 S HN 0.833 nan 8.310 nan 0.000 0.508 189 S N 0.377 116.050 115.700 -0.046 0.000 2.565 189 S HA 0.445 4.915 4.470 0.000 0.000 0.274 189 S C -1.083 173.655 174.600 0.231 0.000 1.144 189 S CA -0.515 57.826 58.200 0.235 0.000 0.849 189 S CB 0.344 63.779 63.200 0.392 0.000 1.103 189 S HN 0.599 nan 8.310 nan 0.000 0.455 190 Y N 1.350 121.907 120.300 0.427 0.000 2.517 190 Y HA 0.322 4.872 4.550 0.000 0.000 0.281 190 Y C 0.622 176.687 175.900 0.275 0.000 1.125 190 Y CA 0.254 58.553 58.100 0.333 0.000 1.283 190 Y CB 0.377 38.978 38.460 0.236 0.000 1.042 190 Y HN 0.508 nan 8.280 nan 0.000 0.547 191 D N -0.008 120.640 120.400 0.413 0.000 2.481 191 D HA 0.187 4.827 4.640 0.000 0.000 0.244 191 D C -0.613 175.808 176.300 0.202 0.000 1.057 191 D CA -0.675 53.495 54.000 0.282 0.000 0.848 191 D CB 1.707 42.641 40.800 0.224 0.000 1.388 191 D HN -0.017 nan 8.370 nan 0.000 0.475 192 K N 1.465 121.973 120.400 0.180 0.000 2.527 192 K HA 0.025 4.345 4.320 0.000 0.000 0.278 192 K C -1.567 175.010 176.600 -0.038 0.000 0.981 192 K CA -0.800 55.554 56.287 0.112 0.000 1.009 192 K CB 0.515 33.087 32.500 0.119 0.000 0.895 192 K HN 0.086 nan 8.250 nan 0.000 0.493 193 P HA -0.160 nan 4.420 nan 0.000 0.225 193 P C -0.190 177.071 177.300 -0.065 0.000 1.148 193 P CA 1.094 64.103 63.100 -0.153 0.000 0.779 193 P CB 0.265 31.844 31.700 -0.201 0.000 0.780 194 D N -0.599 119.784 120.400 -0.028 0.000 2.041 194 D HA 0.224 4.864 4.640 0.000 0.000 0.263 194 D C 1.349 177.644 176.300 -0.008 0.000 1.038 194 D CA 1.036 55.031 54.000 -0.010 0.000 0.903 194 D CB -0.807 39.999 40.800 0.011 0.000 1.013 194 D HN 0.118 nan 8.370 nan 0.000 0.408 200 A N 0.865 123.704 122.820 0.032 0.000 2.318 200 A HA 0.811 5.131 4.320 0.000 0.000 0.324 200 A C -0.267 177.343 177.584 0.043 0.000 1.170 200 A CA -0.446 51.608 52.037 0.029 0.000 0.810 200 A CB 0.458 19.469 19.000 0.018 0.000 1.198 200 A HN 0.587 nan 8.150 nan 0.000 0.484 201 R N 0.627 121.157 120.500 0.050 0.000 2.655 201 R HA 0.238 4.578 4.340 0.000 0.000 0.266 201 R C 0.863 177.188 176.300 0.041 0.000 0.981 201 R CA 1.736 57.876 56.100 0.066 0.000 1.098 201 R CB -0.066 30.271 30.300 0.063 0.000 0.928 201 R HN 1.025 nan 8.270 nan 0.000 0.425 202 T N -2.885 111.696 114.554 0.045 0.000 2.711 202 T HA 0.265 4.615 4.350 0.000 0.000 0.302 202 T C -0.706 173.980 174.700 -0.023 0.000 1.373 202 T CA -0.621 61.483 62.100 0.006 0.000 1.000 202 T CB 1.473 70.344 68.868 0.006 0.000 1.483 202 T HN 0.588 nan 8.240 nan 0.000 0.499 203 D N -0.473 119.901 120.400 -0.043 0.000 2.525 203 D HA 0.100 4.740 4.640 0.000 0.000 0.229 203 D C -0.260 176.138 176.300 0.163 0.000 1.202 203 D CA -0.379 53.581 54.000 -0.066 0.000 0.828 203 D CB 0.137 40.868 40.800 -0.115 0.000 1.008 203 D HN 0.590 nan 8.370 nan 0.000 0.493 204 Q N 0.986 120.915 119.800 0.216 0.000 2.509 204 Q HA 0.157 4.497 4.340 0.000 0.000 0.230 204 Q C -0.484 175.692 176.000 0.294 0.000 1.089 204 Q CA -0.329 55.562 55.803 0.147 0.000 0.901 204 Q CB 0.939 29.593 28.738 -0.139 0.000 1.208 204 Q HN 0.376 nan 8.270 nan 0.000 0.529 205 H N 2.607 121.733 119.070 0.093 0.000 2.886 205 H HA 0.131 4.687 4.556 0.000 0.000 0.329 205 H C -0.472 174.817 175.328 -0.064 0.000 1.044 205 H CA 0.339 56.233 56.048 -0.257 0.000 1.456 205 H CB 0.643 30.231 29.762 -0.291 0.000 1.464 205 H HN 0.349 nan 8.280 nan 0.000 0.573 206 K N 3.363 123.662 120.400 -0.167 0.000 2.426 206 K HA 0.344 4.664 4.320 0.000 0.000 0.251 206 K C -1.191 175.174 176.600 -0.391 0.000 0.941 206 K CA -0.976 55.163 56.287 -0.247 0.000 0.808 206 K CB 2.906 35.199 32.500 -0.346 0.000 1.265 206 K HN 0.217 nan 8.250 nan 0.000 0.432 207 V N 2.963 122.686 119.914 -0.317 0.000 2.439 207 V HA 0.339 4.459 4.120 0.000 0.000 0.282 207 V C -1.061 174.807 176.094 -0.377 0.000 1.039 207 V CA -0.405 61.747 62.300 -0.245 0.000 0.913 207 V CB 0.269 32.056 31.823 -0.060 0.000 0.983 207 V HN 0.569 nan 8.190 nan 0.000 0.460 208 Y N 3.537 123.669 120.300 -0.281 0.000 2.536 208 Y HA 0.591 5.141 4.550 0.000 0.000 0.347 208 Y C -0.567 175.241 175.900 -0.154 0.000 1.000 208 Y CA -0.945 56.988 58.100 -0.278 0.000 1.051 208 Y CB 2.095 40.212 38.460 -0.572 0.000 1.259 208 Y HN 0.582 nan 8.280 nan 0.000 0.468 209 F N 2.274 122.205 119.950 -0.031 0.000 2.444 209 F HA 0.412 4.940 4.527 0.000 0.000 0.342 209 F C -0.774 174.906 175.800 -0.199 0.000 1.121 209 F CA -0.810 57.002 58.000 -0.314 0.000 0.997 209 F CB 0.623 39.314 39.000 -0.515 0.000 1.130 209 F HN 0.561 nan 8.300 nan 0.000 0.454 210 H N 5.752 124.156 119.070 -1.111 0.000 2.556 210 H HA 0.379 4.935 4.556 0.000 0.000 0.310 210 H C -0.555 173.983 175.328 -1.316 0.000 1.057 210 H CA -0.595 54.865 56.048 -0.980 0.000 1.264 210 H CB 0.604 29.753 29.762 -1.023 0.000 1.404 210 H HN 0.722 nan 8.280 nan 0.000 0.462 211 R N 5.691 125.502 120.500 -1.148 0.000 2.265 211 R HA 0.254 4.594 4.340 0.000 0.000 0.314 211 R C -0.471 175.352 176.300 -0.795 0.000 1.053 211 R CA -0.620 55.031 56.100 -0.749 0.000 0.931 211 R CB 0.434 30.585 30.300 -0.247 0.000 1.024 211 R HN 0.660 nan 8.270 nan 0.000 0.457 212 L N 4.116 125.071 121.223 -0.447 0.000 2.485 212 L HA 0.092 4.432 4.340 0.000 0.000 0.275 212 L C 1.367 178.158 176.870 -0.132 0.000 1.207 212 L CA 1.063 55.784 54.840 -0.197 0.000 0.855 212 L CB 0.684 42.780 42.059 0.062 0.000 1.114 212 L HN 1.133 nan 8.230 nan 0.000 0.485 213 G N 1.249 110.009 108.800 -0.067 0.000 2.157 213 G HA2 -0.233 3.727 3.960 0.000 0.000 0.239 213 G HA3 -0.233 3.727 3.960 0.000 0.000 0.239 213 G C 0.156 175.020 174.900 -0.059 0.000 0.982 213 G CA 0.151 45.231 45.100 -0.034 0.000 0.650 213 G HN 0.849 nan 8.290 nan 0.000 0.527 214 T N -2.433 112.051 114.554 -0.117 0.000 2.907 214 T HA 0.892 5.242 4.350 0.000 0.000 0.290 214 T C 0.135 174.834 174.700 -0.002 0.000 1.066 214 T CA 0.274 62.320 62.100 -0.090 0.000 1.012 214 T CB 2.133 70.907 68.868 -0.158 0.000 1.184 214 T HN 1.718 nan 8.240 nan 0.000 0.522 215 A N 0.496 123.325 122.820 0.015 0.000 2.316 215 A HA 0.439 4.759 4.320 0.000 0.000 0.284 215 A C 1.398 179.029 177.584 0.079 0.000 1.115 215 A CA -0.490 51.574 52.037 0.045 0.000 0.812 215 A CB 0.612 19.615 19.000 0.004 0.000 1.064 215 A HN 1.075 nan 8.150 nan 0.000 0.489 216 Q N 0.821 120.649 119.800 0.048 0.000 2.135 216 Q HA -0.249 4.091 4.340 0.000 0.000 0.204 216 Q C 1.641 177.631 176.000 -0.017 0.000 0.981 216 Q CA 2.266 58.069 55.803 0.000 0.000 0.856 216 Q CB -0.193 28.452 28.738 -0.155 0.000 0.902 216 Q HN 0.948 nan 8.270 nan 0.000 0.425 217 E N -0.506 119.676 120.200 -0.030 0.000 2.331 217 E HA -0.217 4.133 4.350 0.000 0.000 0.199 217 E C 0.373 176.965 176.600 -0.012 0.000 1.008 217 E CA 1.348 57.728 56.400 -0.033 0.000 0.843 217 E CB -0.049 29.636 29.700 -0.026 0.000 0.761 217 E HN 0.409 nan 8.360 nan 0.000 0.507 218 D N 1.262 121.664 120.400 0.003 0.000 2.368 218 D HA 0.064 4.704 4.640 0.000 0.000 0.218 218 D C -0.554 175.764 176.300 0.030 0.000 1.112 218 D CA -0.054 53.953 54.000 0.013 0.000 0.834 218 D CB 0.047 40.847 40.800 0.001 0.000 0.953 218 D HN 0.113 nan 8.370 nan 0.000 0.505 219 D N 1.840 122.266 120.400 0.042 0.000 2.458 219 D HA -0.001 4.639 4.640 0.000 0.000 0.243 219 D C 1.000 177.402 176.300 0.170 0.000 1.146 219 D CA 0.119 54.172 54.000 0.089 0.000 0.877 219 D CB 0.826 41.696 40.800 0.117 0.000 1.176 219 D HN 0.221 nan 8.370 nan 0.000 0.461 220 R N 1.854 122.467 120.500 0.188 0.000 2.390 220 R HA 0.287 4.627 4.340 0.000 0.000 0.291 220 R C 0.069 176.519 176.300 0.251 0.000 1.070 220 R CA -0.840 55.377 56.100 0.195 0.000 1.014 220 R CB 0.743 31.123 30.300 0.135 0.000 1.007 220 R HN 0.312 nan 8.270 nan 0.000 0.466 221 L N 4.718 126.045 121.223 0.175 0.000 2.410 221 L HA 0.041 4.381 4.340 0.000 0.000 0.273 221 L C 0.243 177.100 176.870 -0.021 0.000 1.144 221 L CA 0.408 55.234 54.840 -0.023 0.000 0.863 221 L CB 1.484 43.520 42.059 -0.038 0.000 1.140 221 L HN 0.801 nan 8.230 nan 0.000 0.463 222 V N 6.922 126.800 119.914 -0.060 0.000 2.908 222 V HA 0.209 4.329 4.120 0.000 0.000 0.240 222 V C 0.263 176.407 176.094 0.083 0.000 1.117 222 V CA 0.287 62.624 62.300 0.061 0.000 1.133 222 V CB 0.216 32.149 31.823 0.184 0.000 0.857 222 V HN 0.743 nan 8.190 nan 0.000 0.478 223 F N -1.347 118.486 119.950 -0.196 0.000 2.688 223 F HA 0.614 5.141 4.527 0.000 0.000 0.308 223 F C 0.411 176.101 175.800 -0.184 0.000 1.117 223 F CA 0.361 58.252 58.000 -0.182 0.000 0.976 223 F CB 1.694 40.583 39.000 -0.184 0.000 1.291 223 F HN 0.107 nan 8.300 nan 0.000 0.439 224 G N 1.844 110.201 108.800 -0.737 0.000 2.201 224 G HA2 -0.119 3.841 3.960 0.000 0.000 0.212 224 G HA3 -0.119 3.841 3.960 0.000 0.000 0.212 224 G C 0.610 175.440 174.900 -0.118 0.000 0.994 224 G CA 0.235 45.128 45.100 -0.345 0.000 0.644 224 G HN 1.520 nan 8.290 nan 0.000 0.508 225 A N 0.318 123.044 122.820 -0.156 0.000 1.887 225 A HA 0.633 4.953 4.320 0.000 0.000 0.212 225 A C 1.521 179.123 177.584 0.030 0.000 1.198 225 A CA 1.163 53.195 52.037 -0.007 0.000 0.628 225 A CB -0.392 18.584 19.000 -0.041 0.000 0.847 225 A HN 1.499 nan 8.150 nan 0.000 0.449 226 I N -2.847 117.633 120.570 -0.150 0.000 2.754 226 I HA 0.226 4.396 4.170 0.000 0.000 0.285 226 I C -1.994 173.805 176.117 -0.531 0.000 1.166 226 I CA -1.635 59.530 61.300 -0.226 0.000 1.417 226 I CB 0.319 38.195 38.000 -0.207 0.000 1.382 226 I HN -0.097 nan 8.210 nan 0.000 0.588 227 P HA -0.240 nan 4.420 nan 0.000 0.217 227 P C 1.369 178.323 177.300 -0.576 0.000 1.151 227 P CA 2.217 64.772 63.100 -0.907 0.000 0.849 227 P CB 0.068 31.541 31.700 -0.380 0.000 0.787 228 A N -0.886 121.729 122.820 -0.342 0.000 2.121 228 A HA -0.182 4.138 4.320 0.000 0.000 0.218 228 A C 1.868 179.351 177.584 -0.169 0.000 1.154 228 A CA 1.329 53.248 52.037 -0.198 0.000 0.679 228 A CB -0.828 18.092 19.000 -0.132 0.000 0.795 228 A HN 0.284 nan 8.150 nan 0.000 0.458 229 Q N -1.015 118.607 119.800 -0.297 0.000 2.194 229 Q HA 0.113 4.453 4.340 0.000 0.000 0.214 229 Q C -0.707 175.314 176.000 0.034 0.000 0.838 229 Q CA -0.270 55.351 55.803 -0.303 0.000 0.972 229 Q CB 0.296 28.425 28.738 -1.014 0.000 1.131 229 Q HN 0.811 nan 8.270 nan 0.000 0.498 230 H N 0.678 119.693 119.070 -0.093 0.000 3.004 230 H HA 0.088 4.644 4.556 0.000 0.000 0.316 230 H C -0.616 174.619 175.328 -0.155 0.000 1.014 230 H CA 0.208 56.223 56.048 -0.055 0.000 1.454 230 H CB 0.352 30.064 29.762 -0.083 0.000 1.472 230 H HN 0.144 nan 8.280 nan 0.000 0.571 231 H N 0.447 119.634 119.070 0.195 0.000 3.037 231 H HA 0.145 4.701 4.556 0.000 0.000 0.355 231 H C 0.638 176.029 175.328 0.106 0.000 1.263 231 H CA -0.860 55.286 56.048 0.164 0.000 1.129 231 H CB 1.376 31.283 29.762 0.242 0.000 1.861 231 H HN 0.502 nan 8.280 nan 0.000 0.546 232 R N 0.512 121.063 120.500 0.085 0.000 2.153 232 R HA 0.072 4.412 4.340 0.000 0.000 0.218 232 R C -0.655 175.392 176.300 -0.423 0.000 1.072 232 R CA 1.093 57.052 56.100 -0.235 0.000 0.990 232 R CB 0.374 30.326 30.300 -0.580 0.000 0.889 232 R HN 0.474 nan 8.270 nan 0.000 0.452 233 Y N -0.392 120.075 120.300 0.278 0.000 2.386 233 Y HA 0.348 4.898 4.550 0.000 0.000 0.334 233 Y C -0.715 175.373 175.900 0.314 0.000 1.002 233 Y CA -1.456 56.828 58.100 0.306 0.000 1.068 233 Y CB 2.097 40.628 38.460 0.118 0.000 1.203 233 Y HN -0.197 nan 8.280 nan 0.000 0.443 234 V N -0.090 120.134 119.914 0.517 0.000 2.789 234 V HA 1.124 5.244 4.120 0.000 0.000 0.311 234 V C -0.359 175.756 176.094 0.034 0.000 1.073 234 V CA -0.710 61.668 62.300 0.131 0.000 0.921 234 V CB 1.774 33.623 31.823 0.043 0.000 1.009 234 V HN 0.946 nan 8.190 nan 0.000 0.426 235 G N 1.465 110.253 108.800 -0.020 0.000 2.574 235 G HA2 0.946 4.906 3.960 0.000 0.000 0.299 235 G HA3 0.946 4.906 3.960 0.000 0.000 0.299 235 G C -0.981 173.876 174.900 -0.071 0.000 1.298 235 G CA -0.455 44.640 45.100 -0.009 0.000 0.952 235 G HN 1.735 nan 8.290 nan 0.000 0.477 236 A N 0.513 123.314 122.820 -0.032 0.000 2.398 236 A HA 0.882 5.202 4.320 0.000 0.000 0.301 236 A C -0.459 177.116 177.584 -0.015 0.000 1.041 236 A CA -0.577 51.406 52.037 -0.091 0.000 0.711 236 A CB 1.866 20.789 19.000 -0.127 0.000 1.240 236 A HN 0.798 nan 8.150 nan 0.000 0.420 237 T N 1.418 115.941 114.554 -0.052 0.000 2.921 237 T HA 0.544 4.894 4.350 0.000 0.000 0.297 237 T C -0.798 173.921 174.700 0.032 0.000 1.013 237 T CA -0.404 61.717 62.100 0.035 0.000 0.990 237 T CB 1.548 70.439 68.868 0.039 0.000 1.023 237 T HN 0.539 nan 8.240 nan 0.000 0.447 238 V N 3.686 123.679 119.914 0.132 0.000 2.435 238 V HA 0.462 4.582 4.120 0.000 0.000 0.290 238 V C 0.984 177.181 176.094 0.171 0.000 1.030 238 V CA -0.917 61.481 62.300 0.163 0.000 0.881 238 V CB 1.602 33.600 31.823 0.291 0.000 0.983 238 V HN 1.132 nan 8.190 nan 0.000 0.445 239 T N 0.638 115.295 114.554 0.173 0.000 2.903 239 T HA 0.056 4.406 4.350 0.000 0.000 0.314 239 T C 1.115 175.902 174.700 0.145 0.000 1.078 239 T CA 0.020 62.225 62.100 0.175 0.000 1.114 239 T CB 0.784 69.799 68.868 0.244 0.000 0.987 239 T HN 0.803 nan 8.240 nan 0.000 0.548 240 E N 0.933 121.191 120.200 0.096 0.000 2.147 240 E HA -0.252 4.098 4.350 0.000 0.000 0.199 240 E C 1.294 177.927 176.600 0.055 0.000 1.005 240 E CA 1.753 58.158 56.400 0.009 0.000 0.810 240 E CB -0.122 29.427 29.700 -0.252 0.000 0.736 240 E HN 0.902 nan 8.360 nan 0.000 0.460 241 D N -0.696 119.777 120.400 0.122 0.000 2.328 241 D HA -0.081 4.559 4.640 0.000 0.000 0.226 241 D C -0.070 176.276 176.300 0.077 0.000 1.066 241 D CA 0.359 54.429 54.000 0.115 0.000 0.861 241 D CB -0.009 40.878 40.800 0.143 0.000 0.912 241 D HN 0.054 nan 8.370 nan 0.000 0.521 242 D N -0.173 120.284 120.400 0.095 0.000 3.059 242 D HA -0.246 4.394 4.640 0.000 0.000 0.220 242 D C 1.108 177.410 176.300 0.004 0.000 1.169 242 D CA 0.771 54.824 54.000 0.089 0.000 0.902 242 D CB -0.980 39.880 40.800 0.099 0.000 1.116 242 D HN 0.467 nan 8.370 nan 0.000 0.417 243 R N -0.781 119.674 120.500 -0.075 0.000 2.112 243 R HA 0.084 4.424 4.340 0.000 0.000 0.216 243 R C 0.348 176.330 176.300 -0.530 0.000 1.080 243 R CA 0.757 56.647 56.100 -0.350 0.000 0.996 243 R CB 0.363 30.346 30.300 -0.529 0.000 0.902 243 R HN -0.031 nan 8.270 nan 0.000 0.449 244 F N 0.294 120.278 119.950 0.056 0.000 2.532 244 F HA 0.358 4.885 4.527 0.000 0.000 0.321 244 F C -0.645 175.152 175.800 -0.004 0.000 1.089 244 F CA -1.320 56.696 58.000 0.026 0.000 0.926 244 F CB 1.737 40.753 39.000 0.028 0.000 1.168 244 F HN -0.184 nan 8.300 nan 0.000 0.459 245 L N 4.579 125.896 121.223 0.156 0.000 2.280 245 L HA 0.574 4.914 4.340 0.000 0.000 0.287 245 L C -1.643 175.194 176.870 -0.055 0.000 1.023 245 L CA -0.372 54.434 54.840 -0.057 0.000 0.819 245 L CB 0.666 42.587 42.059 -0.230 0.000 1.212 245 L HN 0.368 nan 8.230 nan 0.000 0.420 246 L N 7.049 128.223 121.223 -0.083 0.000 2.287 246 L HA 0.498 4.838 4.340 0.000 0.000 0.287 246 L C -0.356 176.424 176.870 -0.149 0.000 1.022 246 L CA -0.189 54.599 54.840 -0.087 0.000 0.814 246 L CB 1.508 43.534 42.059 -0.055 0.000 1.217 246 L HN 0.638 nan 8.230 nan 0.000 0.420 247 I N 2.781 123.250 120.570 -0.169 0.000 2.389 247 I HA 0.269 4.439 4.170 0.000 0.000 0.288 247 I C 0.258 176.243 176.117 -0.221 0.000 0.999 247 I CA -0.333 60.809 61.300 -0.264 0.000 1.129 247 I CB 2.118 39.832 38.000 -0.478 0.000 1.288 247 I HN 0.608 nan 8.210 nan 0.000 0.444 248 S N 5.002 120.586 115.700 -0.194 0.000 2.509 248 S HA 0.889 5.359 4.470 0.000 0.000 0.297 248 S C -0.477 174.028 174.600 -0.158 0.000 1.118 248 S CA -0.683 57.432 58.200 -0.140 0.000 1.074 248 S CB 2.222 65.377 63.200 -0.075 0.000 1.038 248 S HN 0.717 nan 8.310 nan 0.000 0.498 249 A N 1.328 124.063 122.820 -0.141 0.000 2.374 249 A HA 0.940 5.260 4.320 0.000 0.000 0.305 249 A C -0.337 177.240 177.584 -0.013 0.000 1.053 249 A CA -0.528 51.384 52.037 -0.207 0.000 0.726 249 A CB 1.213 19.816 19.000 -0.662 0.000 1.229 249 A HN 1.806 nan 8.150 nan 0.000 0.431 250 A N 1.500 124.440 122.820 0.201 0.000 2.594 250 A HA 0.736 5.056 4.320 0.000 0.000 0.291 250 A C -0.240 177.583 177.584 0.398 0.000 1.105 250 A CA -0.535 51.689 52.037 0.311 0.000 0.694 250 A CB 0.856 19.994 19.000 0.230 0.000 1.291 250 A HN 0.803 nan 8.150 nan 0.000 0.410 251 N N -0.850 118.039 118.700 0.314 0.000 2.273 251 N HA 0.199 4.939 4.740 0.000 0.000 0.192 251 N C 0.184 175.851 175.510 0.261 0.000 1.132 251 N CA 0.668 53.846 53.050 0.212 0.000 0.887 251 N CB 0.625 39.190 38.487 0.129 0.000 1.048 251 N HN 0.804 nan 8.380 nan 0.000 0.490 252 S N -1.635 114.229 115.700 0.273 0.000 2.688 252 S HA 0.152 4.622 4.470 0.000 0.000 0.275 252 S C 0.733 175.387 174.600 0.090 0.000 1.175 252 S CA -0.504 57.816 58.200 0.200 0.000 0.818 252 S CB 0.817 64.084 63.200 0.111 0.000 1.157 252 S HN 0.060 nan 8.310 nan 0.000 0.482 253 T N -0.918 113.639 114.554 0.004 0.000 3.113 253 T HA 0.193 4.543 4.350 0.000 0.000 0.263 253 T C 0.402 175.094 174.700 -0.012 0.000 1.143 253 T CA 0.468 62.538 62.100 -0.050 0.000 1.090 253 T CB -0.536 68.289 68.868 -0.071 0.000 0.922 253 T HN 0.466 nan 8.240 nan 0.000 0.521 254 S N 1.389 117.099 115.700 0.018 0.000 2.532 254 S HA 0.645 5.115 4.470 0.000 0.000 0.318 254 S C 0.429 175.051 174.600 0.037 0.000 1.083 254 S CA -0.338 57.874 58.200 0.020 0.000 1.131 254 S CB 0.582 63.792 63.200 0.017 0.000 0.973 254 S HN 1.045 nan 8.310 nan 0.000 0.468 255 G N 3.229 112.048 108.800 0.032 0.000 2.705 255 G HA2 -0.087 3.873 3.960 0.000 0.000 0.686 255 G HA3 -0.087 3.873 3.960 0.000 0.000 0.686 255 G C -1.087 173.847 174.900 0.057 0.000 1.285 255 G CA -0.794 44.331 45.100 0.042 0.000 0.800 255 G HN 0.879 nan 8.290 nan 0.000 0.611 256 N N 0.070 118.799 118.700 0.048 0.000 2.504 256 N HA 0.474 5.214 4.740 0.000 0.000 0.268 256 N C -0.433 175.085 175.510 0.013 0.000 1.184 256 N CA -1.004 52.075 53.050 0.047 0.000 0.875 256 N CB 1.396 39.895 38.487 0.021 0.000 1.630 256 N HN 0.789 nan 8.380 nan 0.000 0.486 257 R N 0.027 120.526 120.500 -0.001 0.000 2.543 257 R HA 0.599 4.939 4.340 0.000 0.000 0.268 257 R C -0.753 175.417 176.300 -0.217 0.000 1.067 257 R CA -0.742 55.295 56.100 -0.104 0.000 1.142 257 R CB 0.687 30.977 30.300 -0.017 0.000 1.110 257 R HN 0.544 nan 8.270 nan 0.000 0.549 258 L N 1.546 122.511 121.223 -0.431 0.000 2.482 258 L HA 0.429 4.769 4.340 0.000 0.000 0.263 258 L C -1.835 174.674 176.870 -0.602 0.000 0.957 258 L CA -0.516 54.109 54.840 -0.359 0.000 0.836 258 L CB 1.698 43.652 42.059 -0.174 0.000 1.324 258 L HN 0.499 nan 8.230 nan 0.000 0.406 259 Y N 3.068 123.282 120.300 -0.144 0.000 2.576 259 Y HA 0.809 5.359 4.550 0.000 0.000 0.346 259 Y C -0.647 175.185 175.900 -0.114 0.000 1.018 259 Y CA -0.934 57.100 58.100 -0.111 0.000 1.050 259 Y CB 2.344 40.719 38.460 -0.141 0.000 1.280 259 Y HN 0.411 nan 8.280 nan 0.000 0.474 260 V N 2.367 122.333 119.914 0.087 0.000 2.789 260 V HA 0.592 4.712 4.120 0.000 0.000 0.311 260 V C -1.503 174.644 176.094 0.087 0.000 1.073 260 V CA -0.852 61.468 62.300 0.033 0.000 0.921 260 V CB 1.969 33.752 31.823 -0.067 0.000 1.009 260 V HN 0.784 nan 8.190 nan 0.000 0.426 261 K N 3.843 124.314 120.400 0.119 0.000 2.426 261 K HA 0.397 4.718 4.320 0.000 0.000 0.254 261 K C -1.359 175.389 176.600 0.247 0.000 0.936 261 K CA -0.631 55.736 56.287 0.133 0.000 0.801 261 K CB 1.590 34.119 32.500 0.048 0.000 1.139 261 K HN 0.755 nan 8.250 nan 0.000 0.424 262 D N 5.537 126.081 120.400 0.241 0.000 2.393 262 D HA 0.096 4.736 4.640 0.000 0.000 0.232 262 D C 0.995 177.289 176.300 -0.010 0.000 1.192 262 D CA -0.157 53.941 54.000 0.163 0.000 0.882 262 D CB 0.720 41.641 40.800 0.203 0.000 1.038 262 D HN 0.575 nan 8.370 nan 0.000 0.499 263 L N 2.607 123.781 121.223 -0.082 0.000 2.551 263 L HA -0.091 4.249 4.340 0.000 0.000 0.228 263 L C 2.097 178.917 176.870 -0.083 0.000 1.153 263 L CA 0.481 55.284 54.840 -0.061 0.000 0.851 263 L CB -0.351 41.686 42.059 -0.036 0.000 0.959 263 L HN 0.331 nan 8.230 nan 0.000 0.451 264 S N -1.539 114.078 115.700 -0.139 0.000 2.650 264 S HA 0.066 4.536 4.470 0.000 0.000 0.219 264 S C 0.587 175.153 174.600 -0.056 0.000 0.960 264 S CA -0.232 57.904 58.200 -0.106 0.000 0.925 264 S CB -0.050 63.060 63.200 -0.150 0.000 0.775 264 S HN 0.466 nan 8.310 nan 0.000 0.525 265 Q N 0.804 120.581 119.800 -0.039 0.000 2.347 265 Q HA 0.364 4.704 4.340 0.000 0.000 0.271 265 Q C -1.326 174.669 176.000 -0.008 0.000 1.064 265 Q CA -0.577 55.218 55.803 -0.013 0.000 0.800 265 Q CB 1.861 30.601 28.738 0.003 0.000 1.304 265 Q HN 0.406 nan 8.270 nan 0.000 0.438 266 E N 1.551 121.748 120.200 -0.004 0.000 2.366 266 E HA -0.007 4.344 4.350 0.000 0.000 0.266 266 E C -0.513 176.087 176.600 0.001 0.000 1.015 266 E CA 0.131 56.529 56.400 -0.004 0.000 0.906 266 E CB 0.033 29.732 29.700 -0.002 0.000 0.979 266 E HN 0.575 nan 8.360 nan 0.000 0.443 267 N N 0.927 119.626 118.700 -0.001 0.000 2.721 267 N HA -0.251 4.489 4.740 0.000 0.000 0.249 267 N C -0.638 174.879 175.510 0.012 0.000 1.072 267 N CA -0.011 53.041 53.050 0.004 0.000 0.710 267 N CB -0.725 37.764 38.487 0.004 0.000 0.993 267 N HN 0.537 nan 8.380 nan 0.000 0.547 268 A N 0.824 123.654 122.820 0.017 0.000 2.498 268 A HA 0.343 4.663 4.320 0.000 0.000 0.239 268 A C -1.215 176.389 177.584 0.034 0.000 1.068 268 A CA -0.508 51.548 52.037 0.030 0.000 0.766 268 A CB 0.272 19.298 19.000 0.043 0.000 1.003 268 A HN 0.194 nan 8.150 nan 0.000 0.497 269 P HA 0.382 nan 4.420 nan 0.000 0.280 269 P C -0.724 176.610 177.300 0.056 0.000 1.272 269 P CA -0.567 62.556 63.100 0.039 0.000 0.819 269 P CB 0.757 32.478 31.700 0.036 0.000 1.122 270 L N 0.821 122.078 121.223 0.056 0.000 2.367 270 L HA 0.203 4.543 4.340 0.000 0.000 0.275 270 L C 0.243 177.192 176.870 0.131 0.000 1.129 270 L CA -0.570 54.321 54.840 0.085 0.000 0.839 270 L CB 0.155 42.243 42.059 0.049 0.000 1.133 270 L HN 0.237 nan 8.230 nan 0.000 0.453 271 L N 2.611 123.925 121.223 0.152 0.000 2.331 271 L HA 0.420 4.760 4.340 0.000 0.000 0.275 271 L C 0.230 177.220 176.870 0.200 0.000 1.022 271 L CA -0.102 54.825 54.840 0.145 0.000 0.812 271 L CB 1.973 44.082 42.059 0.082 0.000 1.257 271 L HN 0.443 nan 8.230 nan 0.000 0.435 272 T N 1.632 116.286 114.554 0.167 0.000 2.728 272 T HA 0.258 4.608 4.350 0.000 0.000 0.296 272 T C 1.295 175.971 174.700 -0.041 0.000 0.940 272 T CA -0.464 61.654 62.100 0.030 0.000 1.013 272 T CB 1.116 70.014 68.868 0.050 0.000 0.912 272 T HN 0.338 nan 8.240 nan 0.000 0.484 273 V N 2.399 122.243 119.914 -0.116 0.000 2.535 273 V HA 0.113 4.233 4.120 0.000 0.000 0.246 273 V C 0.918 177.078 176.094 0.110 0.000 1.045 273 V CA 0.990 63.320 62.300 0.049 0.000 1.058 273 V CB -0.217 31.613 31.823 0.012 0.000 0.689 273 V HN 0.849 nan 8.190 nan 0.000 0.461 274 Q N -0.966 118.783 119.800 -0.086 0.000 2.296 274 Q HA 0.437 4.777 4.340 0.000 0.000 0.254 274 Q C 0.173 176.059 176.000 -0.190 0.000 0.936 274 Q CA 0.196 55.953 55.803 -0.078 0.000 0.834 274 Q CB 1.860 30.627 28.738 0.049 0.000 1.340 274 Q HN 0.288 nan 8.270 nan 0.000 0.428 275 G N 2.634 111.364 108.800 -0.117 0.000 3.189 275 G HA2 0.114 4.074 3.960 0.000 0.000 0.225 275 G HA3 0.114 4.074 3.960 0.000 0.000 0.225 275 G C -0.241 174.671 174.900 0.021 0.000 1.159 275 G CA 0.415 45.486 45.100 -0.047 0.000 0.763 275 G HN 0.694 nan 8.290 nan 0.000 0.549 276 D N -1.266 119.133 120.400 -0.002 0.000 2.493 276 D HA 0.405 5.045 4.640 0.000 0.000 0.239 276 D C 0.512 176.835 176.300 0.039 0.000 1.049 276 D CA -0.933 53.084 54.000 0.028 0.000 1.008 276 D CB 1.023 41.822 40.800 -0.001 0.000 1.398 276 D HN -0.100 nan 8.370 nan 0.000 0.513 277 L N 0.355 121.612 121.223 0.057 0.000 2.791 277 L HA 0.219 4.560 4.340 0.000 0.000 0.239 277 L C 0.425 177.319 176.870 0.041 0.000 1.203 277 L CA -0.158 54.721 54.840 0.064 0.000 1.002 277 L CB -0.136 41.978 42.059 0.092 0.000 1.295 277 L HN 0.344 nan 8.230 nan 0.000 0.504 278 D N 1.393 121.806 120.400 0.022 0.000 2.310 278 D HA 0.054 4.694 4.640 0.000 0.000 0.212 278 D C 0.920 177.230 176.300 0.017 0.000 0.965 278 D CA 0.650 54.657 54.000 0.011 0.000 0.879 278 D CB 0.448 41.242 40.800 -0.010 0.000 0.921 278 D HN 0.393 nan 8.370 nan 0.000 0.510 279 A N -0.140 122.697 122.820 0.030 0.000 2.599 279 A HA 0.394 4.714 4.320 0.000 0.000 0.290 279 A C -1.549 176.064 177.584 0.049 0.000 1.101 279 A CA -0.834 51.228 52.037 0.042 0.000 0.674 279 A CB 1.321 20.357 19.000 0.059 0.000 1.277 279 A HN -0.202 nan 8.150 nan 0.000 0.419 280 D N 0.655 121.079 120.400 0.040 0.000 2.225 280 D HA 0.457 5.098 4.640 0.000 0.000 0.248 280 D C -1.027 175.286 176.300 0.021 0.000 1.096 280 D CA 0.179 54.192 54.000 0.021 0.000 0.863 280 D CB 2.005 42.805 40.800 0.000 0.000 1.156 280 D HN 0.456 nan 8.370 nan 0.000 0.450 281 V N 1.423 121.337 119.914 -0.001 0.000 2.777 281 V HA 0.544 4.665 4.120 0.000 0.000 0.306 281 V C -1.169 174.873 176.094 -0.087 0.000 1.112 281 V CA -0.320 61.950 62.300 -0.050 0.000 0.917 281 V CB 1.984 33.811 31.823 0.007 0.000 1.018 281 V HN 0.732 nan 8.190 nan 0.000 0.426 282 S N 5.934 121.559 115.700 -0.125 0.000 2.564 282 S HA 0.751 5.221 4.470 0.000 0.000 0.274 282 S C -1.093 173.432 174.600 -0.126 0.000 1.124 282 S CA -0.783 57.353 58.200 -0.107 0.000 0.869 282 S CB 1.754 64.905 63.200 -0.081 0.000 1.105 282 S HN 1.381 nan 8.310 nan 0.000 0.472 283 L N 2.698 123.866 121.223 -0.092 0.000 2.367 283 L HA 0.543 4.883 4.340 0.000 0.000 0.275 283 L C 0.329 177.176 176.870 -0.040 0.000 1.129 283 L CA 0.290 55.087 54.840 -0.071 0.000 0.839 283 L CB 0.877 42.912 42.059 -0.039 0.000 1.133 283 L HN 0.682 nan 8.230 nan 0.000 0.453 284 V N 2.805 122.704 119.914 -0.026 0.000 2.627 284 V HA 0.329 4.449 4.120 0.000 0.000 0.239 284 V C 0.260 176.377 176.094 0.038 0.000 1.077 284 V CA 0.993 63.285 62.300 -0.014 0.000 1.103 284 V CB -0.091 31.703 31.823 -0.048 0.000 0.802 284 V HN 0.970 nan 8.190 nan 0.000 0.482 285 D N -1.587 118.861 120.400 0.081 0.000 2.827 285 D HA 0.196 4.837 4.640 0.000 0.000 0.336 285 D C -1.942 174.505 176.300 0.244 0.000 1.374 285 D CA -0.459 53.634 54.000 0.155 0.000 0.794 285 D CB 0.812 41.719 40.800 0.177 0.000 1.364 285 D HN 0.286 nan 8.370 nan 0.000 0.464 286 N N 0.471 119.353 118.700 0.303 0.000 2.357 286 N HA 0.470 5.210 4.740 0.000 0.000 0.284 286 N C -1.431 174.272 175.510 0.322 0.000 1.236 286 N CA -0.709 52.569 53.050 0.380 0.000 0.774 286 N CB 2.614 41.346 38.487 0.408 0.000 1.534 286 N HN 0.326 nan 8.380 nan 0.000 0.478 287 K N 0.842 121.463 120.400 0.369 0.000 2.690 287 K HA 0.418 4.738 4.320 0.000 0.000 0.243 287 K C 0.235 176.959 176.600 0.207 0.000 0.982 287 K CA 0.167 56.569 56.287 0.193 0.000 0.955 287 K CB 0.366 32.987 32.500 0.203 0.000 1.185 287 K HN 0.948 nan 8.250 nan 0.000 0.467 288 G N 1.936 110.831 108.800 0.158 0.000 2.527 288 G HA2 -0.368 3.592 3.960 0.000 0.000 0.268 288 G HA3 -0.368 3.592 3.960 0.000 0.000 0.268 288 G C 0.460 175.530 174.900 0.284 0.000 1.175 288 G CA 0.392 45.586 45.100 0.156 0.000 0.962 288 G HN 0.868 nan 8.290 nan 0.000 0.560 289 S N -0.642 115.202 115.700 0.240 0.000 2.593 289 S HA 0.385 4.855 4.470 0.000 0.000 0.217 289 S C 0.838 175.510 174.600 0.120 0.000 0.966 289 S CA 1.282 59.664 58.200 0.302 0.000 0.914 289 S CB 0.125 63.450 63.200 0.207 0.000 0.776 289 S HN 0.995 nan 8.310 nan 0.000 0.523 290 T N 3.504 118.130 114.554 0.119 0.000 2.780 290 T HA 0.472 4.822 4.350 0.000 0.000 0.294 290 T C -0.205 174.502 174.700 0.011 0.000 0.949 290 T CA -0.388 61.717 62.100 0.008 0.000 1.074 290 T CB 0.711 69.585 68.868 0.010 0.000 0.910 290 T HN 0.275 nan 8.240 nan 0.000 0.501 291 L N 3.561 124.685 121.223 -0.165 0.000 2.325 291 L HA 0.475 4.815 4.340 0.000 0.000 0.279 291 L C -0.735 176.001 176.870 -0.224 0.000 1.054 291 L CA -0.978 53.778 54.840 -0.140 0.000 0.804 291 L CB 0.762 42.660 42.059 -0.268 0.000 1.200 291 L HN 0.656 nan 8.230 nan 0.000 0.436 292 Y N 3.724 123.930 120.300 -0.157 0.000 2.334 292 Y HA 0.562 5.112 4.550 0.000 0.000 0.336 292 Y C -0.239 175.515 175.900 -0.244 0.000 0.960 292 Y CA -0.605 57.376 58.100 -0.197 0.000 1.164 292 Y CB 1.357 39.712 38.460 -0.175 0.000 1.155 292 Y HN 0.320 nan 8.280 nan 0.000 0.478 293 L N 4.744 125.817 121.223 -0.250 0.000 2.362 293 L HA 0.530 4.870 4.340 0.000 0.000 0.271 293 L C -1.123 175.568 176.870 -0.299 0.000 1.002 293 L CA -1.158 53.486 54.840 -0.326 0.000 0.818 293 L CB 1.955 43.659 42.059 -0.592 0.000 1.298 293 L HN 0.428 nan 8.230 nan 0.000 0.420 294 L N 1.925 123.009 121.223 -0.232 0.000 2.295 294 L HA 0.778 5.118 4.340 0.000 0.000 0.285 294 L C -0.208 176.556 176.870 -0.177 0.000 1.035 294 L CA 0.586 55.314 54.840 -0.186 0.000 0.806 294 L CB 1.634 43.602 42.059 -0.151 0.000 1.214 294 L HN 0.704 nan 8.230 nan 0.000 0.426 295 T N 2.436 116.910 114.554 -0.133 0.000 2.840 295 T HA 0.372 4.722 4.350 0.000 0.000 0.317 295 T C -0.174 174.525 174.700 -0.001 0.000 1.401 295 T CA -0.363 61.702 62.100 -0.059 0.000 1.028 295 T CB 1.029 69.875 68.868 -0.037 0.000 1.317 295 T HN 0.759 nan 8.240 nan 0.000 0.495 296 N N 1.888 120.607 118.700 0.031 0.000 2.204 296 N HA 0.101 4.841 4.740 0.000 0.000 0.219 296 N C 0.289 175.834 175.510 0.059 0.000 1.151 296 N CA -0.473 52.597 53.050 0.034 0.000 0.867 296 N CB 0.019 38.518 38.487 0.019 0.000 1.043 296 N HN 0.509 nan 8.380 nan 0.000 0.516 297 R N 1.533 122.098 120.500 0.108 0.000 2.404 297 R HA -0.006 4.334 4.340 0.000 0.000 0.315 297 R C -0.570 175.773 176.300 0.073 0.000 1.032 297 R CA 0.330 56.493 56.100 0.105 0.000 0.992 297 R CB -0.128 30.287 30.300 0.191 0.000 0.959 297 R HN 0.108 nan 8.270 nan 0.000 0.428 298 D N 1.505 121.924 120.400 0.031 0.000 3.012 298 D HA -0.219 4.421 4.640 0.000 0.000 0.222 298 D C -1.079 175.237 176.300 0.027 0.000 1.167 298 D CA 1.555 55.565 54.000 0.017 0.000 0.854 298 D CB -0.970 39.832 40.800 0.004 0.000 1.107 298 D HN 0.635 nan 8.370 nan 0.000 0.421 299 A N -1.065 121.775 122.820 0.033 0.000 2.686 299 A HA 0.522 4.842 4.320 0.000 0.000 0.299 299 A C -2.155 175.448 177.584 0.030 0.000 1.151 299 A CA -0.881 51.175 52.037 0.031 0.000 0.851 299 A CB 1.249 20.268 19.000 0.033 0.000 1.448 299 A HN -0.186 nan 8.150 nan 0.000 0.404 300 P HA -0.154 nan 4.420 nan 0.000 0.216 300 P C 0.963 178.282 177.300 0.032 0.000 1.150 300 P CA 1.391 64.511 63.100 0.033 0.000 0.843 300 P CB 0.246 31.969 31.700 0.039 0.000 0.787 301 N N -1.019 117.703 118.700 0.037 0.000 2.398 301 N HA 0.061 4.801 4.740 0.000 0.000 0.188 301 N C -0.165 175.367 175.510 0.036 0.000 1.122 301 N CA 0.233 53.309 53.050 0.043 0.000 0.866 301 N CB -0.160 38.362 38.487 0.058 0.000 0.970 301 N HN 0.124 nan 8.380 nan 0.000 0.462 302 R N 0.004 120.517 120.500 0.020 0.000 3.337 302 R HA -0.181 4.159 4.340 0.000 0.000 0.490 302 R C -0.354 175.943 176.300 -0.005 0.000 0.830 302 R CA 0.526 56.625 56.100 -0.001 0.000 1.485 302 R CB -0.447 29.836 30.300 -0.028 0.000 2.108 302 R HN 0.430 nan 8.270 nan 0.000 0.519 303 R N 0.226 120.707 120.500 -0.031 0.000 2.764 303 R HA 0.719 5.059 4.340 0.000 0.000 0.270 303 R C -1.647 174.590 176.300 -0.105 0.000 1.014 303 R CA -1.195 54.874 56.100 -0.051 0.000 0.904 303 R CB 1.221 31.506 30.300 -0.024 0.000 1.236 303 R HN 0.322 nan 8.270 nan 0.000 0.466 304 L N 2.204 123.344 121.223 -0.139 0.000 2.296 304 L HA 0.587 4.927 4.340 0.000 0.000 0.286 304 L C -0.694 176.063 176.870 -0.189 0.000 1.023 304 L CA -0.517 54.215 54.840 -0.179 0.000 0.812 304 L CB 1.767 43.707 42.059 -0.198 0.000 1.223 304 L HN 0.650 nan 8.230 nan 0.000 0.421 305 V N 1.514 121.279 119.914 -0.249 0.000 3.074 305 V HA 0.965 5.085 4.120 0.000 0.000 0.314 305 V C -0.275 175.589 176.094 -0.384 0.000 1.117 305 V CA 0.038 62.178 62.300 -0.268 0.000 1.014 305 V CB 1.862 33.540 31.823 -0.241 0.000 1.057 305 V HN 0.927 nan 8.190 nan 0.000 0.438 306 T N -0.584 113.752 114.554 -0.362 0.000 2.916 306 T HA 0.861 5.211 4.350 0.000 0.000 0.292 306 T C -0.850 173.683 174.700 -0.278 0.000 1.055 306 T CA -0.616 61.207 62.100 -0.462 0.000 1.009 306 T CB 1.650 70.172 68.868 -0.577 0.000 1.118 306 T HN 1.932 nan 8.240 nan 0.000 0.497 307 V N 0.518 120.280 119.914 -0.253 0.000 3.108 307 V HA 0.423 4.543 4.120 0.000 0.000 0.287 307 V C -1.730 174.296 176.094 -0.113 0.000 1.436 307 V CA -0.853 61.395 62.300 -0.088 0.000 1.001 307 V CB 2.250 34.108 31.823 0.058 0.000 1.141 307 V HN 1.237 nan 8.190 nan 0.000 0.443 308 D N 3.673 124.036 120.400 -0.063 0.000 2.389 308 D HA 0.542 5.182 4.640 0.000 0.000 0.247 308 D C 1.148 177.391 176.300 -0.096 0.000 1.128 308 D CA 0.755 54.713 54.000 -0.070 0.000 0.884 308 D CB 2.040 42.817 40.800 -0.038 0.000 1.194 308 D HN 0.839 nan 8.370 nan 0.000 0.441 309 A N 3.505 126.230 122.820 -0.157 0.000 2.076 309 A HA -0.080 4.240 4.320 0.000 0.000 0.220 309 A C 2.006 179.548 177.584 -0.070 0.000 1.160 309 A CA 1.660 53.556 52.037 -0.234 0.000 0.653 309 A CB -0.613 18.045 19.000 -0.570 0.000 0.801 309 A HN 0.643 nan 8.150 nan 0.000 0.455 310 A N -1.268 121.542 122.820 -0.017 0.000 2.167 310 A HA 0.082 4.402 4.320 0.000 0.000 0.214 310 A C 0.950 178.513 177.584 -0.036 0.000 1.151 310 A CA 1.243 53.281 52.037 0.002 0.000 0.735 310 A CB -0.185 18.823 19.000 0.014 0.000 0.802 310 A HN 0.449 nan 8.150 nan 0.000 0.467 311 N N -1.324 117.334 118.700 -0.070 0.000 2.884 311 N HA 0.146 4.886 4.740 0.000 0.000 0.211 311 N C -2.688 172.777 175.510 -0.076 0.000 1.442 311 N CA -0.855 52.116 53.050 -0.131 0.000 0.757 311 N CB 1.103 39.422 38.487 -0.279 0.000 1.461 311 N HN -0.004 nan 8.380 nan 0.000 0.557 312 P HA 0.178 nan 4.420 nan 0.000 0.249 312 P C 0.798 178.290 177.300 0.321 0.000 1.229 312 P CA 0.082 63.272 63.100 0.151 0.000 0.788 312 P CB -0.040 31.691 31.700 0.052 0.000 1.072 313 G N 2.350 111.295 108.800 0.242 0.000 2.559 313 G HA2 0.025 3.985 3.960 0.000 0.000 0.235 313 G HA3 0.025 3.985 3.960 0.000 0.000 0.235 313 G C -1.532 173.201 174.900 -0.278 0.000 1.266 313 G CA -0.725 44.424 45.100 0.082 0.000 0.847 313 G HN 0.034 nan 8.290 nan 0.000 0.583 314 P HA -0.150 nan 4.420 nan 0.000 0.218 314 P C 1.874 178.557 177.300 -1.027 0.000 1.146 314 P CA 1.864 63.874 63.100 -1.816 0.000 0.813 314 P CB 0.210 31.108 31.700 -1.338 0.000 0.778 315 A N -1.382 121.031 122.820 -0.679 0.000 2.119 315 A HA -0.154 4.166 4.320 0.000 0.000 0.217 315 A C 1.294 178.519 177.584 -0.598 0.000 1.153 315 A CA 1.263 52.939 52.037 -0.602 0.000 0.692 315 A CB -1.354 17.266 19.000 -0.634 0.000 0.799 315 A HN 0.328 nan 8.150 nan 0.000 0.458 316 H N -3.144 115.853 119.070 -0.122 0.000 2.586 316 H HA 0.107 4.664 4.556 0.000 0.000 0.273 316 H C -0.410 175.017 175.328 0.164 0.000 0.997 316 H CA -0.578 55.483 56.048 0.021 0.000 1.177 316 H CB 0.134 29.918 29.762 0.036 0.000 1.471 316 H HN 0.527 nan 8.280 nan 0.000 0.538 317 W N 2.336 123.620 121.300 -0.026 0.000 2.210 317 W HA 0.295 4.955 4.660 0.000 0.000 0.330 317 W C 0.312 176.793 176.519 -0.064 0.000 1.334 317 W CA -0.594 56.717 57.345 -0.057 0.000 1.227 317 W CB 0.287 29.703 29.460 -0.075 0.000 1.178 317 W HN -0.003 nan 8.180 nan 0.000 0.560 318 R N 1.869 122.442 120.500 0.122 0.000 2.561 318 R HA 0.180 4.520 4.340 0.000 0.000 0.297 318 R C -0.802 175.485 176.300 -0.022 0.000 0.969 318 R CA -1.174 54.948 56.100 0.037 0.000 0.879 318 R CB 1.446 31.750 30.300 0.007 0.000 1.178 318 R HN 0.332 nan 8.270 nan 0.000 0.445 319 D N 2.163 122.554 120.400 -0.015 0.000 2.458 319 D HA -0.028 4.612 4.640 0.000 0.000 0.243 319 D C 0.929 177.180 176.300 -0.081 0.000 1.146 319 D CA 0.103 54.074 54.000 -0.048 0.000 0.877 319 D CB 1.147 41.931 40.800 -0.028 0.000 1.176 319 D HN 0.277 nan 8.370 nan 0.000 0.461 320 L N 2.804 123.952 121.223 -0.125 0.000 2.515 320 L HA 0.339 4.679 4.340 0.000 0.000 0.202 320 L C 0.275 177.029 176.870 -0.194 0.000 1.056 320 L CA 0.644 55.397 54.840 -0.144 0.000 0.847 320 L CB 0.488 42.445 42.059 -0.171 0.000 1.131 320 L HN 0.354 nan 8.230 nan 0.000 0.484 321 I N 1.495 121.931 120.570 -0.224 0.000 2.495 321 I HA 0.312 4.482 4.170 0.000 0.000 0.277 321 I C -2.282 173.759 176.117 -0.125 0.000 1.045 321 I CA -1.859 59.280 61.300 -0.267 0.000 1.135 321 I CB 1.338 39.094 38.000 -0.406 0.000 1.241 321 I HN 0.011 nan 8.210 nan 0.000 0.469 322 P HA -0.042 nan 4.420 nan 0.000 0.268 322 P C -0.139 177.163 177.300 0.003 0.000 1.208 322 P CA -0.104 62.982 63.100 -0.024 0.000 0.777 322 P CB 0.554 32.249 31.700 -0.010 0.000 0.875 323 E N 2.947 123.154 120.200 0.010 0.000 2.452 323 E HA -0.034 4.316 4.350 0.000 0.000 0.261 323 E C -0.071 176.546 176.600 0.029 0.000 0.987 323 E CA 0.109 56.527 56.400 0.029 0.000 0.926 323 E CB 0.366 30.080 29.700 0.024 0.000 0.934 323 E HN 0.262 nan 8.360 nan 0.000 0.452 324 R N 3.018 123.545 120.500 0.045 0.000 3.055 324 R HA 0.122 4.462 4.340 0.000 0.000 0.231 324 R C 0.733 177.030 176.300 -0.005 0.000 1.443 324 R CA -0.809 55.286 56.100 -0.008 0.000 1.063 324 R CB -0.066 30.179 30.300 -0.092 0.000 1.514 324 R HN 0.453 nan 8.270 nan 0.000 0.510 325 Q N 0.476 120.251 119.800 -0.041 0.000 2.369 325 Q HA -0.041 4.299 4.340 0.000 0.000 0.206 325 Q C -0.373 175.629 176.000 0.003 0.000 0.963 325 Q CA 1.472 57.266 55.803 -0.015 0.000 0.894 325 Q CB 0.261 28.984 28.738 -0.026 0.000 0.965 325 Q HN 0.287 nan 8.270 nan 0.000 0.475 326 Q N -1.195 118.595 119.800 -0.016 0.000 2.257 326 Q HA 0.432 4.772 4.340 0.000 0.000 0.262 326 Q C -1.071 175.036 176.000 0.180 0.000 0.997 326 Q CA -0.625 55.211 55.803 0.054 0.000 0.873 326 Q CB 1.971 30.720 28.738 0.019 0.000 1.312 326 Q HN -0.106 nan 8.270 nan 0.000 0.450 327 V N 2.541 122.541 119.914 0.143 0.000 2.521 327 V HA 0.046 4.166 4.120 0.000 0.000 0.286 327 V C -0.220 175.937 176.094 0.105 0.000 1.034 327 V CA -0.257 62.105 62.300 0.103 0.000 1.045 327 V CB 0.147 31.992 31.823 0.037 0.000 0.974 327 V HN 0.585 nan 8.190 nan 0.000 0.480 328 L N 6.095 127.333 121.223 0.024 0.000 2.350 328 L HA 0.620 4.960 4.340 0.000 0.000 0.275 328 L C 0.201 176.929 176.870 -0.236 0.000 1.099 328 L CA 0.949 55.658 54.840 -0.219 0.000 0.808 328 L CB 1.628 43.592 42.059 -0.158 0.000 1.149 328 L HN 0.705 nan 8.230 nan 0.000 0.442 329 T N 4.189 118.540 114.554 -0.338 0.000 2.881 329 T HA 0.623 4.973 4.350 0.000 0.000 0.290 329 T C -1.065 173.427 174.700 -0.347 0.000 1.000 329 T CA -0.395 61.533 62.100 -0.287 0.000 0.978 329 T CB 1.623 70.356 68.868 -0.226 0.000 0.997 329 T HN 0.396 nan 8.240 nan 0.000 0.443 330 V N 4.621 124.322 119.914 -0.354 0.000 2.555 330 V HA 0.536 4.656 4.120 0.000 0.000 0.302 330 V C -0.514 175.369 176.094 -0.351 0.000 1.038 330 V CA -0.855 61.273 62.300 -0.287 0.000 0.887 330 V CB 1.594 33.295 31.823 -0.204 0.000 0.991 330 V HN 0.848 nan 8.190 nan 0.000 0.434 331 H N 1.876 120.979 119.070 0.055 0.000 2.747 331 H HA 0.731 5.287 4.556 0.000 0.000 0.371 331 H C -0.433 175.042 175.328 0.245 0.000 1.161 331 H CA -0.512 55.629 56.048 0.155 0.000 1.167 331 H CB 2.444 32.336 29.762 0.217 0.000 1.732 331 H HN 0.725 nan 8.280 nan 0.000 0.544 332 S N 0.512 116.446 115.700 0.390 0.000 2.570 332 S HA 0.851 5.321 4.470 0.000 0.000 0.286 332 S C -0.132 174.756 174.600 0.481 0.000 1.099 332 S CA -0.568 57.858 58.200 0.377 0.000 0.913 332 S CB 2.798 66.125 63.200 0.212 0.000 1.085 332 S HN 1.024 nan 8.310 nan 0.000 0.480 333 G N -0.215 108.929 108.800 0.575 0.000 2.429 333 G HA2 0.477 4.437 3.960 0.000 0.000 0.300 333 G HA3 0.477 4.437 3.960 0.000 0.000 0.300 333 G C -0.191 175.052 174.900 0.572 0.000 1.598 333 G CA -0.140 45.276 45.100 0.528 0.000 0.863 333 G HN 1.622 nan 8.290 nan 0.000 0.614 334 S N -1.011 114.933 115.700 0.407 0.000 3.473 334 S HA -0.041 4.429 4.470 0.000 0.000 0.339 334 S C 1.983 176.698 174.600 0.190 0.000 1.148 334 S CA 2.382 60.787 58.200 0.341 0.000 0.969 334 S CB -1.263 62.209 63.200 0.454 0.000 0.936 334 S HN 2.908 nan 8.310 nan 0.000 0.530 335 G N -1.365 107.499 108.800 0.106 0.000 2.137 335 G HA2 -0.297 3.663 3.960 0.000 0.000 0.237 335 G HA3 -0.297 3.663 3.960 0.000 0.000 0.237 335 G C -0.313 174.430 174.900 -0.261 0.000 1.002 335 G CA 0.429 45.378 45.100 -0.251 0.000 0.702 335 G HN 0.708 nan 8.290 nan 0.000 0.515 336 Y N -1.325 119.166 120.300 0.317 0.000 2.576 336 Y HA 0.737 5.287 4.550 0.000 0.000 0.346 336 Y C 0.427 176.240 175.900 -0.146 0.000 1.018 336 Y CA -1.197 56.947 58.100 0.073 0.000 1.050 336 Y CB 1.600 39.969 38.460 -0.151 0.000 1.280 336 Y HN 0.100 nan 8.280 nan 0.000 0.474 337 L N 2.518 123.601 121.223 -0.233 0.000 2.329 337 L HA 0.545 4.885 4.340 0.000 0.000 0.279 337 L C -1.464 175.111 176.870 -0.492 0.000 1.014 337 L CA -0.590 54.068 54.840 -0.303 0.000 0.814 337 L CB 1.212 43.072 42.059 -0.333 0.000 1.257 337 L HN 0.461 nan 8.230 nan 0.000 0.424 338 F N 1.708 121.700 119.950 0.070 0.000 2.403 338 F HA 0.532 5.059 4.527 0.000 0.000 0.355 338 F C 0.455 176.218 175.800 -0.062 0.000 1.119 338 F CA -0.663 57.322 58.000 -0.025 0.000 1.007 338 F CB 1.671 40.561 39.000 -0.184 0.000 1.194 338 F HN 0.417 nan 8.300 nan 0.000 0.443 339 A N 3.378 126.244 122.820 0.077 0.000 2.302 339 A HA 0.400 4.720 4.320 0.000 0.000 0.295 339 A C -0.111 177.323 177.584 -0.250 0.000 1.235 339 A CA -0.376 51.585 52.037 -0.127 0.000 0.876 339 A CB 0.235 19.222 19.000 -0.022 0.000 1.133 339 A HN 0.766 nan 8.150 nan 0.000 0.533 340 E N 2.301 122.286 120.200 -0.358 0.000 2.179 340 E HA 0.595 4.945 4.350 0.000 0.000 0.275 340 E C -1.555 174.766 176.600 -0.465 0.000 0.945 340 E CA -0.291 55.949 56.400 -0.267 0.000 0.792 340 E CB 0.852 30.527 29.700 -0.041 0.000 1.125 340 E HN 0.648 nan 8.360 nan 0.000 0.397 341 Y N 1.539 121.828 120.300 -0.019 0.000 2.669 341 Y HA 0.403 4.953 4.550 0.000 0.000 0.335 341 Y C -0.225 175.655 175.900 -0.034 0.000 1.116 341 Y CA -1.046 57.039 58.100 -0.026 0.000 1.081 341 Y CB 1.846 40.292 38.460 -0.023 0.000 1.297 341 Y HN 0.416 nan 8.280 nan 0.000 0.484 342 M N 2.326 122.016 119.600 0.150 0.000 2.085 342 M HA 0.659 5.139 4.480 0.000 0.000 0.309 342 M C -2.289 174.001 176.300 -0.017 0.000 0.947 342 M CA -0.663 54.654 55.300 0.028 0.000 0.918 342 M CB 0.761 33.345 32.600 -0.027 0.000 1.504 342 M HN 0.454 nan 8.290 nan 0.000 0.420 343 V N 5.177 125.079 119.914 -0.021 0.000 2.444 343 V HA 0.342 4.462 4.120 0.000 0.000 0.294 343 V C -0.315 175.755 176.094 -0.039 0.000 1.022 343 V CA -0.434 61.843 62.300 -0.037 0.000 0.850 343 V CB 1.616 33.438 31.823 -0.001 0.000 0.992 343 V HN 0.979 nan 8.190 nan 0.000 0.426 344 D N 4.518 124.853 120.400 -0.108 0.000 2.708 344 D HA -0.279 4.361 4.640 0.000 0.000 0.236 344 D C 1.160 177.404 176.300 -0.093 0.000 1.146 344 D CA 1.225 55.202 54.000 -0.038 0.000 0.662 344 D CB -0.857 40.097 40.800 0.256 0.000 1.059 344 D HN 1.486 nan 8.370 nan 0.000 0.428 345 A N -2.162 120.540 122.820 -0.197 0.000 3.153 345 A HA -0.266 4.054 4.320 0.000 0.000 0.265 345 A C 0.942 178.488 177.584 -0.063 0.000 1.212 345 A CA 2.398 54.357 52.037 -0.130 0.000 1.018 345 A CB -2.200 16.745 19.000 -0.092 0.000 1.130 345 A HN 1.074 nan 8.150 nan 0.000 0.873 346 T N -2.806 111.729 114.554 -0.031 0.000 2.924 346 T HA 0.865 5.215 4.350 0.000 0.000 0.291 346 T C 0.080 174.792 174.700 0.021 0.000 1.045 346 T CA 0.029 62.129 62.100 -0.000 0.000 1.015 346 T CB 1.830 70.721 68.868 0.039 0.000 1.103 346 T HN 1.976 nan 8.240 nan 0.000 0.496 347 A N 2.005 124.850 122.820 0.042 0.000 2.371 347 A HA 0.715 5.035 4.320 0.000 0.000 0.257 347 A C 0.129 177.747 177.584 0.057 0.000 1.089 347 A CA -0.652 51.417 52.037 0.054 0.000 0.794 347 A CB 0.128 19.166 19.000 0.064 0.000 1.029 347 A HN 0.725 nan 8.150 nan 0.000 0.488 348 R N 0.689 121.219 120.500 0.050 0.000 2.564 348 R HA 0.552 4.892 4.340 0.000 0.000 0.284 348 R C -1.897 174.407 176.300 0.007 0.000 1.031 348 R CA -0.568 55.555 56.100 0.038 0.000 0.904 348 R CB 1.694 32.045 30.300 0.085 0.000 1.199 348 R HN 0.458 nan 8.270 nan 0.000 0.443 349 V N 2.274 122.125 119.914 -0.105 0.000 2.588 349 V HA 0.447 4.567 4.120 0.000 0.000 0.304 349 V C -0.269 175.737 176.094 -0.146 0.000 1.042 349 V CA -0.807 61.357 62.300 -0.226 0.000 0.877 349 V CB 2.454 33.889 31.823 -0.648 0.000 0.996 349 V HN 0.621 nan 8.190 nan 0.000 0.425 350 E N 2.484 122.663 120.200 -0.034 0.000 2.222 350 E HA 0.472 4.822 4.350 0.000 0.000 0.267 350 E C -0.994 175.588 176.600 -0.029 0.000 0.884 350 E CA -0.608 55.778 56.400 -0.022 0.000 0.764 350 E CB 2.644 32.414 29.700 0.117 0.000 1.169 350 E HN 0.687 nan 8.360 nan 0.000 0.413 351 Q N 3.041 122.729 119.800 -0.188 0.000 2.271 351 Q HA 0.451 4.791 4.340 0.000 0.000 0.258 351 Q C -1.529 174.226 176.000 -0.408 0.000 0.936 351 Q CA -0.340 55.295 55.803 -0.280 0.000 0.909 351 Q CB 0.679 29.324 28.738 -0.155 0.000 1.253 351 Q HN 0.396 nan 8.270 nan 0.000 0.440 352 F N 1.560 121.370 119.950 -0.234 0.000 2.603 352 F HA 0.297 4.824 4.527 0.000 0.000 0.317 352 F C -0.294 175.541 175.800 0.057 0.000 1.066 352 F CA -0.804 57.152 58.000 -0.073 0.000 0.941 352 F CB 1.699 40.645 39.000 -0.090 0.000 1.291 352 F HN 0.657 nan 8.300 nan 0.000 0.472 353 D N -0.590 120.015 120.400 0.342 0.000 2.437 353 D HA 0.138 4.778 4.640 0.000 0.000 0.259 353 D C 0.016 176.475 176.300 0.265 0.000 1.118 353 D CA -0.421 53.768 54.000 0.315 0.000 1.017 353 D CB 0.344 41.286 40.800 0.238 0.000 1.120 353 D HN 0.417 nan 8.370 nan 0.000 0.541 354 Y N -1.002 119.298 120.300 -0.000 0.000 2.688 354 Y HA 0.077 4.627 4.550 0.000 0.000 0.311 354 Y C 0.910 176.923 175.900 0.189 0.000 1.185 354 Y CA 0.528 58.647 58.100 0.030 0.000 1.336 354 Y CB -0.151 38.234 38.460 -0.125 0.000 1.015 354 Y HN 0.403 nan 8.280 nan 0.000 0.522 355 E N -1.339 119.014 120.200 0.255 0.000 2.538 355 E HA 0.266 4.616 4.350 0.000 0.000 0.207 355 E C 1.676 178.364 176.600 0.147 0.000 1.002 355 E CA 0.503 57.013 56.400 0.182 0.000 0.952 355 E CB 0.458 30.239 29.700 0.135 0.000 1.031 355 E HN 0.247 nan 8.360 nan 0.000 0.476 356 G N 1.341 110.244 108.800 0.171 0.000 2.157 356 G HA2 -0.339 3.621 3.960 0.000 0.000 0.248 356 G HA3 -0.339 3.621 3.960 0.000 0.000 0.248 356 G C 0.345 175.444 174.900 0.332 0.000 0.979 356 G CA 0.350 45.544 45.100 0.156 0.000 0.650 356 G HN 0.137 nan 8.290 nan 0.000 0.529 357 K N 1.058 121.634 120.400 0.293 0.000 2.312 357 K HA 0.484 4.804 4.320 0.000 0.000 0.287 357 K C 0.780 177.479 176.600 0.165 0.000 1.062 357 K CA -0.805 55.613 56.287 0.219 0.000 0.934 357 K CB 0.312 32.890 32.500 0.130 0.000 1.027 357 K HN 0.314 nan 8.250 nan 0.000 0.478 358 R N 4.087 124.570 120.500 -0.029 0.000 2.446 358 R HA 0.024 4.364 4.340 0.000 0.000 0.314 358 R C 0.252 176.348 176.300 -0.340 0.000 1.003 358 R CA -0.063 55.657 56.100 -0.633 0.000 1.018 358 R CB 0.250 30.239 30.300 -0.518 0.000 0.945 358 R HN 0.606 nan 8.270 nan 0.000 0.419 359 V N 5.384 125.088 119.914 -0.351 0.000 2.379 359 V HA -0.027 4.093 4.120 0.000 0.000 0.243 359 V C 0.687 176.683 176.094 -0.164 0.000 1.035 359 V CA 1.648 63.842 62.300 -0.176 0.000 1.035 359 V CB -0.639 31.093 31.823 -0.152 0.000 0.673 359 V HN 0.929 nan 8.190 nan 0.000 0.457 360 R N -0.086 120.290 120.500 -0.207 0.000 2.828 360 R HA 0.352 4.692 4.340 0.000 0.000 0.280 360 R C -1.224 174.996 176.300 -0.133 0.000 1.020 360 R CA -0.760 55.263 56.100 -0.129 0.000 0.855 360 R CB 1.144 31.413 30.300 -0.052 0.000 1.278 360 R HN 0.088 nan 8.270 nan 0.000 0.495 361 E N 1.701 121.847 120.200 -0.090 0.000 2.130 361 E HA 0.296 4.646 4.350 0.000 0.000 0.284 361 E C -0.553 176.014 176.600 -0.055 0.000 1.018 361 E CA -0.815 55.536 56.400 -0.081 0.000 0.817 361 E CB 1.447 31.110 29.700 -0.063 0.000 1.078 361 E HN 0.416 nan 8.360 nan 0.000 0.396 362 V N 3.680 123.540 119.914 -0.090 0.000 2.599 362 V HA 0.115 4.235 4.120 0.000 0.000 0.300 362 V C 0.569 176.608 176.094 -0.092 0.000 1.034 362 V CA 0.339 62.583 62.300 -0.092 0.000 1.115 362 V CB 0.690 32.314 31.823 -0.333 0.000 0.934 362 V HN 0.812 nan 8.190 nan 0.000 0.485 363 A N 7.061 129.862 122.820 -0.032 0.000 2.650 363 A HA 0.567 4.887 4.320 0.000 0.000 0.320 363 A C -0.040 177.474 177.584 -0.116 0.000 1.466 363 A CA -0.444 51.560 52.037 -0.056 0.000 1.099 363 A CB -0.435 18.554 19.000 -0.018 0.000 1.136 363 A HN 0.813 nan 8.150 nan 0.000 0.532 364 L N 2.496 123.611 121.223 -0.180 0.000 2.473 364 L HA 0.170 4.510 4.340 0.000 0.000 0.268 364 L C -1.306 175.325 176.870 -0.399 0.000 1.215 364 L CA -1.497 53.166 54.840 -0.294 0.000 0.823 364 L CB 0.473 42.401 42.059 -0.218 0.000 1.099 364 L HN 0.433 nan 8.230 nan 0.000 0.483 365 P HA 0.026 nan 4.420 nan 0.000 0.261 365 P C 0.299 177.222 177.300 -0.628 0.000 1.297 365 P CA 0.559 63.214 63.100 -0.741 0.000 0.757 365 P CB -0.041 31.035 31.700 -1.042 0.000 1.149 366 G N -1.457 107.078 108.800 -0.442 0.000 2.298 366 G HA2 -0.070 3.890 3.960 0.000 0.000 0.309 366 G HA3 -0.070 3.890 3.960 0.000 0.000 0.309 366 G C -1.652 173.323 174.900 0.125 0.000 1.279 366 G CA -1.035 44.001 45.100 -0.107 0.000 1.042 366 G HN 0.051 nan 8.290 nan 0.000 0.480 367 L N 1.579 122.948 121.223 0.243 0.000 2.281 367 L HA 0.653 4.993 4.340 0.000 0.000 0.285 367 L C 1.129 178.189 176.870 0.317 0.000 1.074 367 L CA 0.608 55.597 54.840 0.249 0.000 0.817 367 L CB 0.463 42.609 42.059 0.145 0.000 1.168 367 L HN 1.450 nan 8.230 nan 0.000 0.434 368 G N 1.848 110.777 108.800 0.214 0.000 2.474 368 G HA2 0.305 4.265 3.960 0.000 0.000 0.234 368 G HA3 0.305 4.265 3.960 0.000 0.000 0.234 368 G C -1.611 173.165 174.900 -0.208 0.000 1.204 368 G CA -0.370 44.621 45.100 -0.182 0.000 0.939 368 G HN 0.371 nan 8.290 nan 0.000 0.491 369 S N -0.390 115.058 115.700 -0.420 0.000 2.482 369 S HA 0.749 5.219 4.470 0.000 0.000 0.303 369 S C 0.007 174.515 174.600 -0.154 0.000 1.091 369 S CA -0.238 57.834 58.200 -0.214 0.000 1.057 369 S CB 1.523 64.601 63.200 -0.202 0.000 1.031 369 S HN 1.547 nan 8.310 nan 0.000 0.485 370 V N 0.425 120.355 119.914 0.026 0.000 3.103 370 V HA 1.047 5.167 4.120 0.000 0.000 0.318 370 V C -0.388 175.781 176.094 0.125 0.000 1.114 370 V CA -0.843 61.549 62.300 0.154 0.000 1.020 370 V CB 1.651 33.608 31.823 0.223 0.000 1.085 370 V HN 0.974 nan 8.190 nan 0.000 0.446 371 S N -0.173 115.627 115.700 0.167 0.000 2.550 371 S HA 0.986 5.456 4.470 0.000 0.000 0.270 371 S C 0.009 174.655 174.600 0.076 0.000 1.145 371 S CA 0.227 58.490 58.200 0.105 0.000 0.852 371 S CB 1.122 64.375 63.200 0.088 0.000 1.119 371 S HN 2.932 nan 8.310 nan 0.000 0.465 372 G N 1.082 109.871 108.800 -0.019 0.000 2.416 372 G HA2 0.280 4.240 3.960 0.000 0.000 0.203 372 G HA3 0.280 4.240 3.960 0.000 0.000 0.203 372 G C -0.178 174.602 174.900 -0.200 0.000 1.227 372 G CA -0.022 45.029 45.100 -0.082 0.000 1.041 372 G HN 1.860 nan 8.290 nan 0.000 0.546 373 F N -0.018 119.786 119.950 -0.244 0.000 3.018 373 F HA -0.174 4.353 4.527 0.000 0.000 0.287 373 F C 0.580 176.285 175.800 -0.159 0.000 0.813 373 F CA 1.165 58.899 58.000 -0.444 0.000 1.209 373 F CB -1.687 36.845 39.000 -0.780 0.000 1.321 373 F HN 0.627 nan 8.300 nan 0.000 0.477 374 N N -0.195 118.563 118.700 0.096 0.000 2.372 374 N HA 0.745 5.485 4.740 0.000 0.000 0.285 374 N C 0.316 175.933 175.510 0.178 0.000 1.008 374 N CA -0.064 53.100 53.050 0.191 0.000 0.880 374 N CB 2.029 40.618 38.487 0.171 0.000 1.239 374 N HN 0.351 nan 8.380 nan 0.000 0.484 375 G N 0.681 109.608 108.800 0.212 0.000 2.606 375 G HA2 0.347 4.307 3.960 0.000 0.000 0.300 375 G HA3 0.347 4.307 3.960 0.000 0.000 0.300 375 G C -1.328 173.673 174.900 0.168 0.000 1.360 375 G CA -0.662 44.552 45.100 0.191 0.000 0.783 375 G HN 0.312 nan 8.290 nan 0.000 0.484 376 K N -0.981 119.498 120.400 0.132 0.000 2.127 376 K HA 0.354 4.675 4.320 0.000 0.000 0.240 376 K C 1.076 177.763 176.600 0.145 0.000 1.024 376 K CA -0.585 55.737 56.287 0.059 0.000 0.918 376 K CB 1.054 33.572 32.500 0.029 0.000 1.108 376 K HN 0.653 nan 8.250 nan 0.000 0.485 377 H N 0.516 119.632 119.070 0.077 0.000 2.352 377 H HA -0.147 4.409 4.556 0.000 0.000 0.299 377 H C 0.424 175.770 175.328 0.031 0.000 1.097 377 H CA 1.529 57.595 56.048 0.030 0.000 1.311 377 H CB 0.153 29.902 29.762 -0.021 0.000 1.377 377 H HN 0.616 nan 8.280 nan 0.000 0.504 378 D N 0.051 120.549 120.400 0.163 0.000 2.587 378 D HA 0.034 4.674 4.640 0.000 0.000 0.233 378 D C -0.697 175.664 176.300 0.101 0.000 1.213 378 D CA -0.246 53.817 54.000 0.105 0.000 0.827 378 D CB -0.147 40.697 40.800 0.074 0.000 1.006 378 D HN 0.070 nan 8.370 nan 0.000 0.490 379 D N 1.998 122.475 120.400 0.129 0.000 2.348 379 D HA 0.058 4.698 4.640 0.000 0.000 0.253 379 D C -0.940 175.434 176.300 0.124 0.000 1.161 379 D CA -1.709 52.369 54.000 0.130 0.000 0.876 379 D CB 1.700 42.595 40.800 0.159 0.000 1.160 379 D HN 0.085 nan 8.370 nan 0.000 0.459 380 P HA -0.067 nan 4.420 nan 0.000 0.218 380 P C -0.104 177.224 177.300 0.046 0.000 1.149 380 P CA 0.786 63.929 63.100 0.071 0.000 0.817 380 P CB 0.641 32.377 31.700 0.059 0.000 0.785 381 A N -1.140 121.691 122.820 0.019 0.000 2.569 381 A HA 0.729 5.049 4.320 0.000 0.000 0.290 381 A C -1.245 176.264 177.584 -0.124 0.000 1.136 381 A CA -0.708 51.279 52.037 -0.085 0.000 0.710 381 A CB 0.857 19.721 19.000 -0.226 0.000 1.303 381 A HN -0.002 nan 8.150 nan 0.000 0.413 382 L N -0.215 120.898 121.223 -0.182 0.000 2.323 382 L HA 0.649 4.989 4.340 0.000 0.000 0.265 382 L C -1.446 175.123 176.870 -0.503 0.000 1.012 382 L CA -0.691 54.046 54.840 -0.171 0.000 0.820 382 L CB 1.959 44.049 42.059 0.052 0.000 1.334 382 L HN 0.770 nan 8.230 nan 0.000 0.427 383 Y N 1.109 121.337 120.300 -0.121 0.000 2.485 383 Y HA 0.649 5.199 4.550 0.000 0.000 0.345 383 Y C -0.397 175.349 175.900 -0.256 0.000 0.998 383 Y CA -0.767 57.208 58.100 -0.208 0.000 1.059 383 Y CB 2.001 40.334 38.460 -0.212 0.000 1.234 383 Y HN 0.372 nan 8.280 nan 0.000 0.461 384 F N -0.809 119.009 119.950 -0.221 0.000 2.619 384 F HA 0.932 5.459 4.527 0.000 0.000 0.308 384 F C -0.518 175.286 175.800 0.006 0.000 1.097 384 F CA -1.485 56.316 58.000 -0.331 0.000 0.953 384 F CB 1.194 39.625 39.000 -0.949 0.000 1.287 384 F HN 0.587 nan 8.300 nan 0.000 0.446 385 G N 1.736 110.680 108.800 0.241 0.000 2.389 385 G HA2 0.600 4.560 3.960 0.000 0.000 0.328 385 G HA3 0.600 4.560 3.960 0.000 0.000 0.328 385 G C -2.353 172.819 174.900 0.452 0.000 1.133 385 G CA -0.701 44.542 45.100 0.238 0.000 0.891 385 G HN 0.808 nan 8.290 nan 0.000 0.485 386 F N 0.873 120.989 119.950 0.277 0.000 2.599 386 F HA 0.702 5.229 4.527 0.000 0.000 0.311 386 F C -0.378 175.516 175.800 0.156 0.000 1.076 386 F CA -0.723 57.438 58.000 0.269 0.000 0.937 386 F CB 2.206 41.426 39.000 0.366 0.000 1.282 386 F HN 0.777 nan 8.300 nan 0.000 0.460 387 E N 3.251 122.916 120.200 -0.892 0.000 2.417 387 E HA 0.449 4.799 4.350 0.000 0.000 0.280 387 E C -2.260 173.918 176.600 -0.703 0.000 1.112 387 E CA -1.105 54.977 56.400 -0.530 0.000 0.863 387 E CB 2.312 31.889 29.700 -0.206 0.000 1.346 387 E HN 0.830 nan 8.360 nan 0.000 0.443 388 N N -0.847 117.650 118.700 -0.339 0.000 3.339 388 N HA 0.087 4.827 4.740 0.000 0.000 0.275 388 N C -0.355 175.067 175.510 -0.146 0.000 1.514 388 N CA -0.870 51.978 53.050 -0.337 0.000 0.879 388 N CB 0.141 38.486 38.487 -0.237 0.000 1.557 388 N HN 0.332 nan 8.380 nan 0.000 0.524 389 Y N -0.508 119.813 120.300 0.035 0.000 2.241 389 Y HA -0.031 4.519 4.550 0.000 0.000 0.286 389 Y C 2.352 178.282 175.900 0.051 0.000 1.166 389 Y CA 1.914 60.041 58.100 0.045 0.000 1.203 389 Y CB -0.445 38.071 38.460 0.093 0.000 0.977 389 Y HN 0.746 nan 8.280 nan 0.000 0.529 390 A N -1.008 121.924 122.820 0.186 0.000 2.303 390 A HA 0.132 4.452 4.320 0.000 0.000 0.217 390 A C 0.634 178.261 177.584 0.072 0.000 1.205 390 A CA -0.081 52.019 52.037 0.105 0.000 0.875 390 A CB 0.080 19.170 19.000 0.150 0.000 0.910 390 A HN 0.342 nan 8.150 nan 0.000 0.501 391 Q N 1.030 120.865 119.800 0.058 0.000 2.292 391 Q HA 0.354 4.694 4.340 0.000 0.000 0.270 391 Q C -3.015 172.808 176.000 -0.295 0.000 1.024 391 Q CA -2.559 53.212 55.803 -0.054 0.000 0.768 391 Q CB 2.819 31.634 28.738 0.129 0.000 1.250 391 Q HN 0.132 nan 8.270 nan 0.000 0.447 392 P HA 0.146 nan 4.420 nan 0.000 0.272 392 P C -2.571 174.524 177.300 -0.341 0.000 1.223 392 P CA -1.290 61.158 63.100 -1.088 0.000 0.784 392 P CB -0.135 30.763 31.700 -1.336 0.000 0.923 393 P HA -0.006 nan 4.420 nan 0.000 0.257 393 P C -0.451 176.836 177.300 -0.022 0.000 1.162 393 P CA 1.239 64.327 63.100 -0.020 0.000 0.762 393 P CB -0.269 31.460 31.700 0.048 0.000 0.753 394 T N 4.329 118.905 114.554 0.036 0.000 2.876 394 T HA 0.463 4.813 4.350 0.000 0.000 0.289 394 T C -0.183 174.454 174.700 -0.105 0.000 1.014 394 T CA -0.637 61.426 62.100 -0.061 0.000 0.986 394 T CB 0.893 69.721 68.868 -0.066 0.000 1.021 394 T HN 0.131 nan 8.240 nan 0.000 0.458 395 L N 3.194 124.279 121.223 -0.229 0.000 2.275 395 L HA 0.513 4.853 4.340 0.000 0.000 0.288 395 L C -1.091 175.523 176.870 -0.427 0.000 1.046 395 L CA -0.718 54.012 54.840 -0.184 0.000 0.805 395 L CB 0.586 42.654 42.059 0.015 0.000 1.193 395 L HN 0.660 nan 8.230 nan 0.000 0.426 396 Y N 2.371 122.417 120.300 -0.424 0.000 2.468 396 Y HA 0.503 5.053 4.550 0.000 0.000 0.342 396 Y C 0.073 175.712 175.900 -0.436 0.000 1.021 396 Y CA -0.714 57.049 58.100 -0.561 0.000 1.079 396 Y CB 1.903 39.610 38.460 -1.255 0.000 1.226 396 Y HN 0.460 nan 8.280 nan 0.000 0.460 397 R N 2.660 123.130 120.500 -0.051 0.000 2.460 397 R HA 0.521 4.861 4.340 0.000 0.000 0.303 397 R C -1.999 174.305 176.300 0.007 0.000 0.968 397 R CA -0.532 55.458 56.100 -0.184 0.000 0.889 397 R CB 0.770 30.981 30.300 -0.148 0.000 1.123 397 R HN 0.659 nan 8.270 nan 0.000 0.455 398 F N 3.509 123.337 119.950 -0.203 0.000 2.493 398 F HA 0.345 4.872 4.527 0.000 0.000 0.329 398 F C -0.800 174.961 175.800 -0.065 0.000 1.126 398 F CA -0.794 57.187 58.000 -0.031 0.000 0.937 398 F CB 1.639 40.674 39.000 0.057 0.000 1.146 398 F HN 0.456 nan 8.300 nan 0.000 0.442 399 E N 7.902 127.723 120.200 -0.633 0.000 2.044 399 E HA 0.196 4.546 4.350 0.000 0.000 0.282 399 E C -2.084 174.030 176.600 -0.810 0.000 1.031 399 E CA -2.015 54.081 56.400 -0.506 0.000 0.824 399 E CB 1.048 30.561 29.700 -0.312 0.000 1.076 399 E HN 0.458 nan 8.360 nan 0.000 0.395 400 P HA -0.223 nan 4.420 nan 0.000 0.215 400 P C 1.106 178.266 177.300 -0.233 0.000 1.163 400 P CA 1.642 64.652 63.100 -0.151 0.000 0.894 400 P CB 0.372 32.266 31.700 0.323 0.000 0.791 401 K N -0.418 119.940 120.400 -0.071 0.000 2.002 401 K HA -0.100 4.220 4.320 0.000 0.000 0.209 401 K C 2.391 178.928 176.600 -0.106 0.000 1.048 401 K CA 2.159 58.431 56.287 -0.025 0.000 0.930 401 K CB -0.705 31.814 32.500 0.033 0.000 0.714 401 K HN 0.231 nan 8.250 nan 0.000 0.438 402 S N -0.886 114.722 115.700 -0.153 0.000 2.446 402 S HA 0.070 4.540 4.470 0.000 0.000 0.225 402 S C 1.567 176.062 174.600 -0.174 0.000 1.016 402 S CA 0.681 58.801 58.200 -0.134 0.000 0.943 402 S CB 0.308 63.442 63.200 -0.110 0.000 0.786 402 S HN 0.493 nan 8.310 nan 0.000 0.508 403 G N 1.054 109.638 108.800 -0.359 0.000 2.157 403 G HA2 -0.081 3.879 3.960 0.000 0.000 0.248 403 G HA3 -0.081 3.879 3.960 0.000 0.000 0.248 403 G C 0.219 174.998 174.900 -0.202 0.000 0.979 403 G CA -0.026 44.872 45.100 -0.337 0.000 0.650 403 G HN 1.328 nan 8.290 nan 0.000 0.529 404 A N 0.124 122.808 122.820 -0.227 0.000 2.492 404 A HA 0.624 4.944 4.320 0.000 0.000 0.254 404 A C 0.446 178.018 177.584 -0.019 0.000 1.091 404 A CA 0.364 52.349 52.037 -0.087 0.000 0.768 404 A CB 0.143 19.093 19.000 -0.084 0.000 1.028 404 A HN 0.816 nan 8.150 nan 0.000 0.498 405 I N 2.894 123.525 120.570 0.103 0.000 2.362 405 I HA 0.374 4.544 4.170 0.000 0.000 0.289 405 I C 0.360 176.571 176.117 0.158 0.000 0.994 405 I CA -0.119 61.305 61.300 0.207 0.000 1.158 405 I CB 1.912 40.077 38.000 0.275 0.000 1.315 405 I HN 0.730 nan 8.210 nan 0.000 0.451 406 S N 6.242 122.041 115.700 0.165 0.000 2.568 406 S HA 0.625 5.095 4.470 0.000 0.000 0.293 406 S C -0.805 173.901 174.600 0.177 0.000 1.089 406 S CA -0.902 57.385 58.200 0.145 0.000 0.945 406 S CB 2.122 65.367 63.200 0.076 0.000 1.077 406 S HN 0.468 nan 8.310 nan 0.000 0.485 407 L N 2.919 124.200 121.223 0.096 0.000 2.410 407 L HA 0.345 4.685 4.340 0.000 0.000 0.273 407 L C 0.202 177.027 176.870 -0.075 0.000 1.144 407 L CA 0.152 54.919 54.840 -0.123 0.000 0.863 407 L CB 0.087 42.058 42.059 -0.146 0.000 1.140 407 L HN 0.887 nan 8.230 nan 0.000 0.463 408 Y N 5.121 125.264 120.300 -0.261 0.000 2.382 408 Y HA 0.405 4.955 4.550 0.000 0.000 0.292 408 Y C 0.363 176.145 175.900 -0.195 0.000 1.151 408 Y CA 0.375 58.383 58.100 -0.153 0.000 1.198 408 Y CB 0.539 38.974 38.460 -0.042 0.000 1.195 408 Y HN 0.469 nan 8.280 nan 0.000 0.530 409 R N 0.873 121.213 120.500 -0.266 0.000 2.518 409 R HA 0.510 4.850 4.340 0.000 0.000 0.296 409 R C -0.836 175.315 176.300 -0.247 0.000 1.080 409 R CA -0.343 55.573 56.100 -0.306 0.000 0.922 409 R CB 1.145 31.293 30.300 -0.253 0.000 1.184 409 R HN 0.250 nan 8.270 nan 0.000 0.445 410 A N 1.852 124.534 122.820 -0.229 0.000 2.386 410 A HA 0.241 4.561 4.320 0.000 0.000 0.248 410 A C 0.551 178.045 177.584 -0.150 0.000 1.082 410 A CA 0.003 51.926 52.037 -0.190 0.000 0.789 410 A CB 0.559 19.466 19.000 -0.155 0.000 1.025 410 A HN 0.611 nan 8.150 nan 0.000 0.490 411 S N 0.168 115.782 115.700 -0.143 0.000 2.572 411 S HA 0.362 4.832 4.470 0.000 0.000 0.279 411 S C 1.093 175.609 174.600 -0.140 0.000 1.341 411 S CA 0.005 58.125 58.200 -0.133 0.000 1.043 411 S CB 0.714 63.786 63.200 -0.213 0.000 0.887 411 S HN 1.468 nan 8.310 nan 0.000 0.516 412 A N 3.666 126.434 122.820 -0.087 0.000 2.251 412 A HA 0.543 4.863 4.320 0.000 0.000 0.209 412 A C 1.018 178.470 177.584 -0.221 0.000 1.187 412 A CA 0.364 52.358 52.037 -0.072 0.000 0.823 412 A CB -0.694 18.344 19.000 0.064 0.000 0.846 412 A HN 1.154 nan 8.150 nan 0.000 0.486 413 A N 1.825 124.310 122.820 -0.559 0.000 2.492 413 A HA 0.472 4.792 4.320 0.000 0.000 0.254 413 A C -1.753 175.610 177.584 -0.367 0.000 1.091 413 A CA -1.110 50.430 52.037 -0.829 0.000 0.768 413 A CB -0.197 18.212 19.000 -0.984 0.000 1.028 413 A HN 0.262 nan 8.150 nan 0.000 0.498 414 P HA 0.127 nan 4.420 nan 0.000 0.238 414 P C -1.176 175.598 177.300 -0.877 0.000 1.649 414 P CA 0.723 63.500 63.100 -0.538 0.000 0.960 414 P CB -0.876 30.524 31.700 -0.501 0.000 1.911 415 F N 0.175 120.095 119.950 -0.050 0.000 2.787 415 F HA 0.301 4.828 4.527 0.000 0.000 0.340 415 F C 0.473 176.330 175.800 0.096 0.000 1.232 415 F CA -0.921 57.127 58.000 0.080 0.000 1.051 415 F CB 1.907 40.911 39.000 0.007 0.000 1.330 415 F HN -0.266 nan 8.300 nan 0.000 0.522 416 K N 4.581 125.167 120.400 0.311 0.000 2.316 416 K HA 0.234 4.554 4.320 0.000 0.000 0.289 416 K C -2.014 174.745 176.600 0.265 0.000 1.070 416 K CA -1.466 54.923 56.287 0.169 0.000 0.928 416 K CB 1.123 33.651 32.500 0.047 0.000 1.039 416 K HN 0.199 nan 8.250 nan 0.000 0.480 417 P HA -0.290 nan 4.420 nan 0.000 0.216 417 P C 1.104 178.512 177.300 0.180 0.000 1.154 417 P CA 1.316 64.560 63.100 0.240 0.000 0.865 417 P CB 0.184 31.958 31.700 0.124 0.000 0.789 418 E N 0.051 120.294 120.200 0.071 0.000 2.333 418 E HA -0.201 4.149 4.350 0.000 0.000 0.198 418 E C 0.590 177.152 176.600 -0.062 0.000 1.007 418 E CA 1.418 57.829 56.400 0.018 0.000 0.845 418 E CB -1.129 28.572 29.700 0.002 0.000 0.766 418 E HN 0.290 nan 8.360 nan 0.000 0.507 419 D N -0.514 119.765 120.400 -0.202 0.000 2.349 419 D HA 0.050 4.690 4.640 0.000 0.000 0.224 419 D C -0.600 175.274 176.300 -0.709 0.000 1.029 419 D CA 0.517 54.229 54.000 -0.479 0.000 0.879 419 D CB -0.053 40.343 40.800 -0.674 0.000 0.906 419 D HN 0.219 nan 8.370 nan 0.000 0.528 420 Y N -0.778 119.553 120.300 0.052 0.000 2.499 420 Y HA 0.555 5.105 4.550 0.000 0.000 0.347 420 Y C -0.101 175.785 175.900 -0.023 0.000 0.987 420 Y CA -1.330 56.787 58.100 0.028 0.000 1.044 420 Y CB 1.553 40.040 38.460 0.045 0.000 1.245 420 Y HN -0.398 nan 8.280 nan 0.000 0.461 421 V N 1.344 121.257 119.914 -0.001 0.000 2.604 421 V HA 0.604 4.724 4.120 0.000 0.000 0.305 421 V C -0.706 175.214 176.094 -0.291 0.000 1.043 421 V CA -0.752 61.448 62.300 -0.168 0.000 0.888 421 V CB 1.971 33.632 31.823 -0.270 0.000 0.995 421 V HN 0.740 nan 8.190 nan 0.000 0.429 422 S N 3.595 119.232 115.700 -0.105 0.000 2.746 422 S HA 0.436 4.906 4.470 0.000 0.000 0.273 422 S C -0.590 174.023 174.600 0.022 0.000 1.172 422 S CA -0.718 57.462 58.200 -0.033 0.000 1.116 422 S CB 0.444 63.699 63.200 0.091 0.000 1.057 422 S HN 0.916 nan 8.310 nan 0.000 0.483 423 E N 2.792 123.008 120.200 0.027 0.000 2.204 423 E HA 0.516 4.866 4.350 0.000 0.000 0.276 423 E C -0.500 176.148 176.600 0.080 0.000 0.974 423 E CA -1.015 55.444 56.400 0.098 0.000 0.815 423 E CB 1.079 30.890 29.700 0.186 0.000 1.119 423 E HN 0.428 nan 8.360 nan 0.000 0.393 424 Q N 2.288 122.127 119.800 0.065 0.000 2.243 424 Q HA 0.318 4.658 4.340 0.000 0.000 0.252 424 Q C -1.005 174.965 176.000 -0.049 0.000 0.909 424 Q CA -0.421 55.361 55.803 -0.035 0.000 0.922 424 Q CB 0.959 29.687 28.738 -0.016 0.000 1.215 424 Q HN 0.445 nan 8.270 nan 0.000 0.427 425 R N 2.705 123.063 120.500 -0.238 0.000 2.799 425 R HA 0.576 4.916 4.340 0.000 0.000 0.270 425 R C -1.338 174.645 176.300 -0.529 0.000 1.010 425 R CA -0.654 55.368 56.100 -0.130 0.000 0.916 425 R CB 1.256 31.606 30.300 0.084 0.000 1.228 425 R HN 0.693 nan 8.270 nan 0.000 0.469 426 F N 1.061 121.003 119.950 -0.012 0.000 2.561 426 F HA 0.433 4.960 4.527 0.000 0.000 0.313 426 F C -0.224 175.502 175.800 -0.124 0.000 1.126 426 F CA -0.788 57.146 58.000 -0.110 0.000 0.918 426 F CB 1.444 40.413 39.000 -0.051 0.000 1.199 426 F HN 0.457 nan 8.300 nan 0.000 0.444 427 Y N -0.240 120.028 120.300 -0.053 0.000 2.693 427 Y HA 0.715 5.265 4.550 0.000 0.000 0.331 427 Y C -1.238 174.709 175.900 0.077 0.000 1.092 427 Y CA -1.536 56.521 58.100 -0.071 0.000 1.131 427 Y CB 1.086 39.313 38.460 -0.389 0.000 1.318 427 Y HN 0.588 nan 8.280 nan 0.000 0.510 428 Q N 1.483 121.511 119.800 0.379 0.000 2.316 428 Q HA 0.491 4.831 4.340 0.000 0.000 0.264 428 Q C -0.435 175.762 176.000 0.328 0.000 0.987 428 Q CA -0.735 55.214 55.803 0.243 0.000 0.852 428 Q CB 2.081 30.926 28.738 0.179 0.000 1.287 428 Q HN 0.938 nan 8.270 nan 0.000 0.448 429 S N 2.320 118.150 115.700 0.217 0.000 2.562 429 S HA 0.083 4.553 4.470 0.000 0.000 0.256 429 S C 1.013 175.692 174.600 0.131 0.000 1.248 429 S CA 0.150 58.471 58.200 0.201 0.000 0.988 429 S CB 0.637 63.904 63.200 0.112 0.000 1.035 429 S HN 0.774 nan 8.310 nan 0.000 0.548 430 K N 0.110 120.564 120.400 0.090 0.000 2.044 430 K HA -0.081 4.240 4.320 0.000 0.000 0.204 430 K C 1.369 177.997 176.600 0.047 0.000 1.049 430 K CA 1.749 58.075 56.287 0.065 0.000 0.945 430 K CB -0.539 31.992 32.500 0.052 0.000 0.724 430 K HN 0.736 nan 8.250 nan 0.000 0.440 431 D N -1.405 119.013 120.400 0.029 0.000 2.371 431 D HA 0.007 4.647 4.640 0.000 0.000 0.221 431 D C 0.979 177.292 176.300 0.020 0.000 0.986 431 D CA 0.945 54.953 54.000 0.015 0.000 0.899 431 D CB 0.266 41.062 40.800 -0.008 0.000 0.902 431 D HN 0.458 nan 8.370 nan 0.000 0.530 432 G N -1.199 107.624 108.800 0.038 0.000 2.163 432 G HA2 -0.229 3.731 3.960 0.000 0.000 0.213 432 G HA3 -0.229 3.731 3.960 0.000 0.000 0.213 432 G C 0.336 175.259 174.900 0.037 0.000 0.991 432 G CA 0.038 45.164 45.100 0.043 0.000 0.653 432 G HN 0.419 nan 8.290 nan 0.000 0.518 433 T N 0.984 115.556 114.554 0.030 0.000 2.918 433 T HA 0.431 4.781 4.350 0.000 0.000 0.302 433 T C 0.641 175.366 174.700 0.042 0.000 1.045 433 T CA 0.122 62.239 62.100 0.029 0.000 1.114 433 T CB 1.336 70.201 68.868 -0.005 0.000 0.965 433 T HN 0.443 nan 8.240 nan 0.000 0.540 434 R N 1.691 122.218 120.500 0.045 0.000 2.349 434 R HA 0.574 4.914 4.340 0.000 0.000 0.299 434 R C -1.381 174.959 176.300 0.067 0.000 1.027 434 R CA -0.436 55.671 56.100 0.011 0.000 0.958 434 R CB 0.595 30.877 30.300 -0.030 0.000 1.047 434 R HN 0.411 nan 8.270 nan 0.000 0.468 435 V N 6.276 126.103 119.914 -0.145 0.000 2.709 435 V HA 0.385 4.505 4.120 0.000 0.000 0.308 435 V C -2.349 173.623 176.094 -0.202 0.000 1.062 435 V CA -2.207 60.019 62.300 -0.124 0.000 0.901 435 V CB 2.101 33.681 31.823 -0.406 0.000 1.003 435 V HN 0.805 nan 8.190 nan 0.000 0.425 436 P HA 0.457 nan 4.420 nan 0.000 0.274 436 P C -1.216 175.958 177.300 -0.209 0.000 1.231 436 P CA -0.302 62.640 63.100 -0.264 0.000 0.790 436 P CB 0.754 32.422 31.700 -0.052 0.000 0.951 437 L N 3.311 124.348 121.223 -0.311 0.000 2.562 437 L HA 0.466 4.806 4.340 0.000 0.000 0.266 437 L C -1.562 175.227 176.870 -0.134 0.000 0.949 437 L CA -0.153 54.625 54.840 -0.103 0.000 0.879 437 L CB 1.210 43.270 42.059 0.001 0.000 1.278 437 L HN 0.239 nan 8.230 nan 0.000 0.404 438 I N 6.297 126.831 120.570 -0.060 0.000 2.330 438 I HA 0.435 4.605 4.170 0.000 0.000 0.289 438 I C -0.499 175.589 176.117 -0.048 0.000 1.001 438 I CA -0.416 60.878 61.300 -0.010 0.000 1.193 438 I CB 1.233 39.315 38.000 0.137 0.000 1.345 438 I HN 0.472 nan 8.210 nan 0.000 0.461 439 I N 5.303 125.858 120.570 -0.025 0.000 2.377 439 I HA 0.398 4.569 4.170 0.000 0.000 0.293 439 I C 0.004 176.137 176.117 0.027 0.000 0.987 439 I CA -0.142 61.144 61.300 -0.023 0.000 1.185 439 I CB 1.610 39.553 38.000 -0.095 0.000 1.341 439 I HN 0.460 nan 8.210 nan 0.000 0.455 440 S N 4.795 120.538 115.700 0.072 0.000 2.542 440 S HA 0.850 5.320 4.470 0.000 0.000 0.293 440 S C -1.245 173.432 174.600 0.128 0.000 1.089 440 S CA -0.615 57.574 58.200 -0.018 0.000 0.961 440 S CB 1.956 65.228 63.200 0.120 0.000 1.062 440 S HN 0.593 nan 8.310 nan 0.000 0.483 441 Y N -1.175 119.248 120.300 0.206 0.000 2.814 441 Y HA 0.576 5.126 4.550 0.000 0.000 0.348 441 Y C -0.896 175.143 175.900 0.232 0.000 1.245 441 Y CA -1.431 56.782 58.100 0.188 0.000 1.086 441 Y CB 0.250 38.800 38.460 0.151 0.000 1.373 441 Y HN 0.380 nan 8.280 nan 0.000 0.451 442 R N 1.885 122.644 120.500 0.431 0.000 2.590 442 R HA 0.173 4.513 4.340 0.000 0.000 0.274 442 R C -0.371 176.100 176.300 0.285 0.000 1.061 442 R CA -0.446 55.812 56.100 0.264 0.000 1.081 442 R CB 0.809 31.192 30.300 0.138 0.000 0.984 442 R HN 0.788 nan 8.270 nan 0.000 0.448 443 K N 0.751 121.215 120.400 0.107 0.000 2.401 443 K HA 0.150 4.471 4.320 0.000 0.000 0.278 443 K C 0.620 177.278 176.600 0.098 0.000 1.018 443 K CA 1.334 57.700 56.287 0.130 0.000 0.981 443 K CB 0.304 32.817 32.500 0.021 0.000 0.933 443 K HN 0.715 nan 8.250 nan 0.000 0.477 444 G N 2.744 111.612 108.800 0.114 0.000 2.168 444 G HA2 -0.224 3.736 3.960 0.000 0.000 0.197 444 G HA3 -0.224 3.736 3.960 0.000 0.000 0.197 444 G C -0.417 174.493 174.900 0.017 0.000 0.997 444 G CA -0.102 45.026 45.100 0.048 0.000 0.658 444 G HN 0.603 nan 8.290 nan 0.000 0.513 445 L N 1.199 122.429 121.223 0.012 0.000 2.483 445 L HA 0.554 4.894 4.340 0.000 0.000 0.276 445 L C 0.472 177.267 176.870 -0.125 0.000 1.213 445 L CA 0.476 55.248 54.840 -0.114 0.000 0.843 445 L CB 0.417 42.241 42.059 -0.392 0.000 1.107 445 L HN 0.185 nan 8.230 nan 0.000 0.487 446 K N 6.024 126.352 120.400 -0.121 0.000 2.307 446 K HA 0.335 4.655 4.320 0.000 0.000 0.263 446 K C -0.472 176.038 176.600 -0.150 0.000 0.973 446 K CA -0.516 55.705 56.287 -0.111 0.000 0.846 446 K CB 1.197 33.654 32.500 -0.072 0.000 1.100 446 K HN 0.574 nan 8.250 nan 0.000 0.438 447 L N 4.163 125.273 121.223 -0.188 0.000 2.858 447 L HA -0.033 4.307 4.340 0.000 0.000 0.243 447 L C 0.436 177.205 176.870 -0.168 0.000 1.416 447 L CA 0.093 54.783 54.840 -0.250 0.000 1.182 447 L CB -0.917 40.943 42.059 -0.331 0.000 1.564 447 L HN 0.677 nan 8.230 nan 0.000 0.436 448 D N -0.930 119.401 120.400 -0.115 0.000 2.339 448 D HA 0.020 4.660 4.640 0.000 0.000 0.217 448 D C 1.324 177.587 176.300 -0.061 0.000 1.050 448 D CA 0.363 54.316 54.000 -0.078 0.000 0.856 448 D CB 0.253 41.019 40.800 -0.057 0.000 0.922 448 D HN 0.266 nan 8.370 nan 0.000 0.518 449 G N 0.638 109.400 108.800 -0.064 0.000 2.246 449 G HA2 -0.274 3.686 3.960 0.000 0.000 0.273 449 G HA3 -0.274 3.686 3.960 0.000 0.000 0.273 449 G C 0.627 175.527 174.900 0.000 0.000 1.055 449 G CA 0.704 45.788 45.100 -0.026 0.000 0.851 449 G HN 0.796 nan 8.290 nan 0.000 0.500 450 S N -1.671 114.033 115.700 0.007 0.000 2.847 450 S HA 0.253 4.723 4.470 0.000 0.000 0.254 450 S C 0.270 174.908 174.600 0.064 0.000 1.039 450 S CA -0.294 57.922 58.200 0.027 0.000 1.113 450 S CB 0.381 63.586 63.200 0.008 0.000 1.092 450 S HN 0.340 nan 8.310 nan 0.000 0.620 451 N N 4.821 123.556 118.700 0.059 0.000 2.458 451 N HA 0.274 5.014 4.740 0.000 0.000 0.270 451 N C -2.920 172.658 175.510 0.114 0.000 1.102 451 N CA -1.132 51.955 53.050 0.062 0.000 0.967 451 N CB 0.919 39.427 38.487 0.036 0.000 1.078 451 N HN 0.310 nan 8.380 nan 0.000 0.471 452 P HA 0.019 nan 4.420 nan 0.000 0.264 452 P C -0.569 176.932 177.300 0.335 0.000 1.229 452 P CA 0.252 63.476 63.100 0.207 0.000 0.780 452 P CB 0.249 31.976 31.700 0.044 0.000 0.808 453 T N 4.989 119.767 114.554 0.373 0.000 2.856 453 T HA 0.547 4.897 4.350 0.000 0.000 0.283 453 T C 0.255 175.169 174.700 0.356 0.000 1.008 453 T CA -0.421 61.919 62.100 0.402 0.000 0.997 453 T CB 1.000 70.002 68.868 0.224 0.000 0.992 453 T HN 0.232 nan 8.240 nan 0.000 0.454 454 I N 3.477 124.252 120.570 0.341 0.000 2.382 454 I HA 0.360 4.530 4.170 0.000 0.000 0.286 454 I C -0.983 175.184 176.117 0.082 0.000 1.002 454 I CA -0.918 60.468 61.300 0.142 0.000 1.135 454 I CB 1.577 39.544 38.000 -0.055 0.000 1.288 454 I HN 0.295 nan 8.210 nan 0.000 0.448 455 L N 8.679 129.932 121.223 0.052 0.000 2.272 455 L HA 0.449 4.789 4.340 0.000 0.000 0.289 455 L C -1.296 175.695 176.870 0.201 0.000 1.032 455 L CA -0.137 54.702 54.840 -0.002 0.000 0.810 455 L CB 0.794 42.764 42.059 -0.148 0.000 1.205 455 L HN 0.417 nan 8.230 nan 0.000 0.422 456 Y N 4.315 124.604 120.300 -0.017 0.000 2.446 456 Y HA 0.846 5.396 4.550 0.000 0.000 0.338 456 Y C 0.162 176.162 175.900 0.166 0.000 1.055 456 Y CA 0.043 58.188 58.100 0.075 0.000 1.101 456 Y CB 2.014 40.408 38.460 -0.110 0.000 1.221 456 Y HN 0.768 nan 8.280 nan 0.000 0.460 457 G N 2.685 111.076 108.800 -0.682 0.000 2.576 457 G HA2 0.274 4.234 3.960 0.000 0.000 0.290 457 G HA3 0.274 4.234 3.960 0.000 0.000 0.290 457 G C -2.061 172.455 174.900 -0.640 0.000 1.442 457 G CA -0.405 44.371 45.100 -0.541 0.000 0.792 457 G HN 0.621 nan 8.290 nan 0.000 0.491 458 Y N 0.077 120.114 120.300 -0.437 0.000 3.266 458 Y HA 0.468 5.018 4.550 0.000 0.000 0.189 458 Y C 1.532 177.310 175.900 -0.203 0.000 0.895 458 Y CA 1.605 59.527 58.100 -0.296 0.000 1.706 458 Y CB 0.555 38.937 38.460 -0.130 0.000 1.449 458 Y HN 1.796 nan 8.280 nan 0.000 0.391 459 G N 1.167 110.006 108.800 0.065 0.000 2.531 459 G HA2 0.351 4.311 3.960 0.000 0.000 0.283 459 G HA3 0.351 4.311 3.960 0.000 0.000 0.283 459 G C 0.050 174.896 174.900 -0.090 0.000 1.068 459 G CA 0.477 45.552 45.100 -0.042 0.000 1.273 459 G HN 1.393 nan 8.290 nan 0.000 0.532 460 G N -0.914 107.945 108.800 0.097 0.000 2.321 460 G HA2 0.586 4.546 3.960 0.000 0.000 0.298 460 G HA3 0.586 4.546 3.960 0.000 0.000 0.298 460 G C 0.012 175.049 174.900 0.228 0.000 1.385 460 G CA 0.110 45.227 45.100 0.028 0.000 0.856 460 G HN 1.528 nan 8.290 nan 0.000 0.584 461 F N -0.342 119.644 119.950 0.061 0.000 3.097 461 F HA -0.215 4.312 4.527 0.000 0.000 0.278 461 F C 1.253 176.913 175.800 -0.232 0.000 0.917 461 F CA 1.852 59.857 58.000 0.008 0.000 0.962 461 F CB -1.232 37.808 39.000 0.068 0.000 0.964 461 F HN 1.010 nan 8.300 nan 0.000 0.668 462 D N -1.194 118.852 120.400 -0.592 0.000 3.018 462 D HA -0.202 4.438 4.640 0.000 0.000 0.224 462 D C -0.025 176.221 176.300 -0.090 0.000 1.185 462 D CA 1.070 54.788 54.000 -0.469 0.000 0.858 462 D CB -0.604 39.913 40.800 -0.472 0.000 1.112 462 D HN 0.236 nan 8.370 nan 0.000 0.415 463 V N 0.545 120.478 119.914 0.032 0.000 2.488 463 V HA 0.344 4.464 4.120 0.000 0.000 0.277 463 V C 0.708 176.816 176.094 0.023 0.000 1.046 463 V CA 0.051 62.358 62.300 0.012 0.000 0.986 463 V CB 1.616 33.403 31.823 -0.061 0.000 0.989 463 V HN 0.238 nan 8.190 nan 0.000 0.475 464 S N 5.764 121.455 115.700 -0.016 0.000 2.442 464 S HA 0.562 5.032 4.470 0.000 0.000 0.297 464 S C -0.508 174.086 174.600 -0.010 0.000 1.131 464 S CA -0.735 57.461 58.200 -0.006 0.000 1.092 464 S CB 0.515 63.688 63.200 -0.045 0.000 0.998 464 S HN 0.583 nan 8.310 nan 0.000 0.478 465 L N 5.869 127.115 121.223 0.038 0.000 2.334 465 L HA 0.297 4.637 4.340 0.000 0.000 0.286 465 L C 0.711 177.623 176.870 0.069 0.000 1.108 465 L CA -0.500 54.387 54.840 0.080 0.000 0.875 465 L CB 0.268 42.430 42.059 0.171 0.000 1.246 465 L HN 0.727 nan 8.230 nan 0.000 0.439 466 T N 0.793 115.355 114.554 0.014 0.000 2.907 466 T HA 0.533 4.883 4.350 0.000 0.000 0.284 466 T C -2.457 172.163 174.700 -0.133 0.000 1.004 466 T CA -2.191 59.881 62.100 -0.048 0.000 1.063 466 T CB 1.492 70.314 68.868 -0.077 0.000 0.992 466 T HN 0.152 nan 8.240 nan 0.000 0.483 467 P HA 0.334 nan 4.420 nan 0.000 0.268 467 P C -0.694 176.227 177.300 -0.632 0.000 1.205 467 P CA -0.131 62.432 63.100 -0.895 0.000 0.771 467 P CB 0.559 31.816 31.700 -0.739 0.000 0.858 468 S N 2.209 117.500 115.700 -0.683 0.000 2.535 468 S HA 0.499 4.969 4.470 0.000 0.000 0.272 468 S C -1.062 173.445 174.600 -0.155 0.000 1.149 468 S CA -0.899 57.128 58.200 -0.288 0.000 0.888 468 S CB 0.486 63.593 63.200 -0.156 0.000 1.110 468 S HN 0.203 nan 8.310 nan 0.000 0.463 469 F N 2.934 122.762 119.950 -0.204 0.000 2.495 469 F HA 0.616 5.143 4.527 0.000 0.000 0.365 469 F C 0.388 176.092 175.800 -0.160 0.000 1.090 469 F CA 0.424 58.323 58.000 -0.168 0.000 1.235 469 F CB 1.077 39.981 39.000 -0.160 0.000 1.119 469 F HN 0.786 nan 8.300 nan 0.000 0.562 470 S N 5.217 120.216 115.700 -1.169 0.000 2.594 470 S HA 0.430 4.900 4.470 0.000 0.000 0.296 470 S C 0.401 174.203 174.600 -1.329 0.000 1.124 470 S CA -0.812 56.802 58.200 -0.976 0.000 1.011 470 S CB 1.302 64.166 63.200 -0.560 0.000 1.016 470 S HN 0.554 nan 8.310 nan 0.000 0.485 471 V N 4.882 124.174 119.914 -1.038 0.000 2.332 471 V HA -0.127 3.993 4.120 0.000 0.000 0.248 471 V C 2.529 178.325 176.094 -0.495 0.000 1.055 471 V CA 2.527 64.379 62.300 -0.747 0.000 1.038 471 V CB -0.974 30.521 31.823 -0.546 0.000 0.651 471 V HN 0.891 nan 8.190 nan 0.000 0.450 472 S N -0.104 115.361 115.700 -0.392 0.000 2.359 472 S HA -0.186 4.284 4.470 0.000 0.000 0.224 472 S C 2.017 176.571 174.600 -0.077 0.000 1.035 472 S CA 1.662 59.860 58.200 -0.005 0.000 1.018 472 S CB -0.315 62.947 63.200 0.105 0.000 0.876 472 S HN 0.396 nan 8.310 nan 0.000 0.448 473 V N 2.057 121.762 119.914 -0.347 0.000 2.343 473 V HA -0.204 3.916 4.120 0.000 0.000 0.247 473 V C 2.639 178.526 176.094 -0.345 0.000 1.051 473 V CA 1.625 63.661 62.300 -0.440 0.000 1.036 473 V CB -1.294 30.105 31.823 -0.707 0.000 0.654 473 V HN 0.541 nan 8.190 nan 0.000 0.451 474 A N 0.302 122.784 122.820 -0.563 0.000 1.908 474 A HA -0.267 4.053 4.320 0.000 0.000 0.218 474 A C 2.109 179.527 177.584 -0.277 0.000 1.181 474 A CA 2.151 53.789 52.037 -0.666 0.000 0.627 474 A CB -0.726 17.391 19.000 -1.471 0.000 0.818 474 A HN 0.625 nan 8.150 nan 0.000 0.445 475 N N -1.302 117.331 118.700 -0.111 0.000 2.309 475 N HA -0.160 4.581 4.740 0.000 0.000 0.182 475 N C 1.645 177.142 175.510 -0.023 0.000 1.018 475 N CA 1.229 54.334 53.050 0.091 0.000 0.876 475 N CB -0.260 38.341 38.487 0.191 0.000 0.972 475 N HN 0.858 nan 8.380 nan 0.000 0.434 476 W N 2.306 123.380 121.300 -0.376 0.000 2.381 476 W HA -0.082 4.578 4.660 0.000 0.000 0.301 476 W C 1.579 177.964 176.519 -0.223 0.000 1.205 476 W CA 0.615 57.655 57.345 -0.510 0.000 1.285 476 W CB -0.159 28.912 29.460 -0.649 0.000 1.133 476 W HN -0.009 nan 8.180 nan 0.000 0.521 477 L N 0.610 121.756 121.223 -0.129 0.000 2.046 477 L HA -0.228 4.112 4.340 0.000 0.000 0.208 477 L C 1.817 178.671 176.870 -0.027 0.000 1.077 477 L CA 1.560 56.352 54.840 -0.079 0.000 0.747 477 L CB -1.191 40.914 42.059 0.076 0.000 0.896 477 L HN -0.187 nan 8.230 nan 0.000 0.432 478 D N 0.118 120.549 120.400 0.052 0.000 2.378 478 D HA -0.057 4.583 4.640 0.000 0.000 0.222 478 D C 1.783 178.051 176.300 -0.053 0.000 0.980 478 D CA 0.876 54.936 54.000 0.101 0.000 0.907 478 D CB 0.050 40.974 40.800 0.208 0.000 0.899 478 D HN 0.304 nan 8.370 nan 0.000 0.527 479 L N -1.424 119.669 121.223 -0.217 0.000 2.667 479 L HA 0.283 4.623 4.340 0.000 0.000 0.232 479 L C 1.442 178.062 176.870 -0.416 0.000 1.138 479 L CA 0.102 54.748 54.840 -0.322 0.000 0.921 479 L CB 0.303 42.107 42.059 -0.424 0.000 1.180 479 L HN 0.095 nan 8.230 nan 0.000 0.487 480 G N -0.045 108.555 108.800 -0.333 0.000 2.176 480 G HA2 -0.229 3.731 3.960 0.000 0.000 0.253 480 G HA3 -0.229 3.731 3.960 0.000 0.000 0.253 480 G C 0.576 175.236 174.900 -0.399 0.000 0.979 480 G CA -0.141 44.789 45.100 -0.282 0.000 0.641 480 G HN 0.501 nan 8.290 nan 0.000 0.530 481 G N -1.032 107.301 108.800 -0.777 0.000 2.537 481 G HA2 0.622 4.582 3.960 0.000 0.000 0.273 481 G HA3 0.622 4.582 3.960 0.000 0.000 0.273 481 G C -0.154 174.538 174.900 -0.346 0.000 1.189 481 G CA 0.192 44.673 45.100 -1.031 0.000 0.881 481 G HN 0.932 nan 8.290 nan 0.000 0.535 482 V N 0.613 120.613 119.914 0.143 0.000 2.581 482 V HA 0.409 4.529 4.120 0.000 0.000 0.303 482 V C -1.153 175.323 176.094 0.637 0.000 1.041 482 V CA -0.710 61.812 62.300 0.369 0.000 0.907 482 V CB 1.679 33.666 31.823 0.274 0.000 0.994 482 V HN 0.641 nan 8.190 nan 0.000 0.442 483 Y N 3.237 123.718 120.300 0.301 0.000 2.326 483 Y HA 0.743 5.293 4.550 0.000 0.000 0.331 483 Y C -0.053 175.847 175.900 0.000 0.000 0.962 483 Y CA -1.001 57.187 58.100 0.146 0.000 1.167 483 Y CB 1.464 39.960 38.460 0.060 0.000 1.148 483 Y HN 0.705 nan 8.280 nan 0.000 0.463 484 A N 5.750 128.339 122.820 -0.386 0.000 2.319 484 A HA 0.759 5.079 4.320 0.000 0.000 0.310 484 A C -1.725 175.590 177.584 -0.448 0.000 1.152 484 A CA -0.639 51.190 52.037 -0.347 0.000 0.783 484 A CB 0.792 19.684 19.000 -0.180 0.000 1.184 484 A HN 0.487 nan 8.150 nan 0.000 0.474 485 V N 2.141 121.827 119.914 -0.381 0.000 2.384 485 V HA 0.667 4.787 4.120 0.000 0.000 0.287 485 V C 0.524 176.628 176.094 0.017 0.000 1.020 485 V CA -0.333 61.856 62.300 -0.185 0.000 0.850 485 V CB 1.275 32.960 31.823 -0.230 0.000 0.987 485 V HN 1.132 nan 8.190 nan 0.000 0.436 486 A N 4.070 126.973 122.820 0.139 0.000 2.305 486 A HA 0.596 4.916 4.320 0.000 0.000 0.322 486 A C 0.160 177.872 177.584 0.213 0.000 1.187 486 A CA -0.673 51.495 52.037 0.217 0.000 0.825 486 A CB 0.433 19.650 19.000 0.362 0.000 1.164 486 A HN 0.764 nan 8.150 nan 0.000 0.498 487 N N 3.063 121.889 118.700 0.211 0.000 3.229 487 N HA 0.220 4.960 4.740 0.000 0.000 0.275 487 N C -0.320 175.431 175.510 0.402 0.000 1.225 487 N CA 0.076 53.278 53.050 0.252 0.000 1.119 487 N CB 0.321 38.914 38.487 0.177 0.000 1.392 487 N HN 0.595 nan 8.380 nan 0.000 0.520 488 L N 0.599 122.003 121.223 0.303 0.000 2.479 488 L HA 0.155 4.495 4.340 0.000 0.000 0.270 488 L C 1.495 178.459 176.870 0.157 0.000 1.236 488 L CA -0.142 54.827 54.840 0.215 0.000 0.823 488 L CB 0.452 42.555 42.059 0.073 0.000 1.098 488 L HN 0.150 nan 8.230 nan 0.000 0.500 489 R N 0.029 120.352 120.500 -0.296 0.000 2.774 489 R HA 0.229 4.569 4.340 0.000 0.000 0.269 489 R C 1.042 177.112 176.300 -0.384 0.000 1.068 489 R CA 0.935 56.499 56.100 -0.893 0.000 1.180 489 R CB 0.206 29.916 30.300 -0.983 0.000 1.077 489 R HN 0.922 nan 8.270 nan 0.000 0.513 490 G N 0.078 108.700 108.800 -0.297 0.000 2.279 490 G HA2 -0.228 3.732 3.960 0.000 0.000 0.223 490 G HA3 -0.228 3.732 3.960 0.000 0.000 0.223 490 G C 0.479 175.466 174.900 0.145 0.000 1.015 490 G CA -0.193 44.886 45.100 -0.036 0.000 0.621 490 G HN 0.885 nan 8.290 nan 0.000 0.506 491 G N -0.447 108.489 108.800 0.227 0.000 2.535 491 G HA2 0.570 4.530 3.960 0.000 0.000 0.282 491 G HA3 0.570 4.530 3.960 0.000 0.000 0.282 491 G C 0.947 176.024 174.900 0.296 0.000 1.350 491 G CA 0.189 45.452 45.100 0.271 0.000 1.039 491 G HN 1.342 nan 8.290 nan 0.000 0.509 492 G N -1.401 107.487 108.800 0.146 0.000 3.805 492 G HA2 0.339 4.299 3.960 0.000 0.000 0.290 492 G HA3 0.339 4.299 3.960 0.000 0.000 0.290 492 G C 0.659 175.541 174.900 -0.030 0.000 1.077 492 G CA -0.043 45.104 45.100 0.078 0.000 0.852 492 G HN 0.507 nan 8.290 nan 0.000 0.531 493 E N -0.182 119.936 120.200 -0.137 0.000 2.347 493 E HA 0.026 4.376 4.350 0.000 0.000 0.196 493 E C -0.186 175.859 176.600 -0.925 0.000 1.008 493 E CA 0.752 56.827 56.400 -0.542 0.000 0.852 493 E CB 0.027 29.321 29.700 -0.676 0.000 0.783 493 E HN 0.574 nan 8.360 nan 0.000 0.505 494 Y N -0.664 119.435 120.300 -0.335 0.000 2.685 494 Y HA 0.386 4.936 4.550 0.000 0.000 0.284 494 Y C 0.660 176.558 175.900 -0.003 0.000 0.944 494 Y CA -0.296 57.652 58.100 -0.254 0.000 1.107 494 Y CB 0.791 38.944 38.460 -0.511 0.000 1.188 494 Y HN 0.061 nan 8.280 nan 0.000 0.635 495 G N 0.430 109.309 108.800 0.132 0.000 2.752 495 G HA2 -0.340 3.620 3.960 0.000 0.000 0.234 495 G HA3 -0.340 3.620 3.960 0.000 0.000 0.234 495 G C 0.836 175.878 174.900 0.236 0.000 1.367 495 G CA 0.341 45.536 45.100 0.158 0.000 0.879 495 G HN 0.394 nan 8.290 nan 0.000 0.563 496 Q N -0.622 119.297 119.800 0.198 0.000 2.077 496 Q HA -0.121 4.219 4.340 0.000 0.000 0.206 496 Q C 3.107 179.229 176.000 0.204 0.000 0.989 496 Q CA 2.895 58.827 55.803 0.215 0.000 0.853 496 Q CB -0.471 28.358 28.738 0.151 0.000 0.907 496 Q HN 1.297 nan 8.270 nan 0.000 0.418 497 A N 0.483 123.411 122.820 0.181 0.000 1.978 497 A HA -0.207 4.113 4.320 0.000 0.000 0.220 497 A C 1.766 179.470 177.584 0.200 0.000 1.170 497 A CA 1.207 53.331 52.037 0.146 0.000 0.636 497 A CB -1.222 17.856 19.000 0.130 0.000 0.810 497 A HN 0.803 nan 8.150 nan 0.000 0.448 498 W N -0.313 121.042 121.300 0.092 0.000 2.418 498 W HA -0.134 4.526 4.660 0.000 0.000 0.292 498 W C 2.067 178.657 176.519 0.119 0.000 1.213 498 W CA 1.587 58.998 57.345 0.110 0.000 1.283 498 W CB -0.461 29.121 29.460 0.204 0.000 1.119 498 W HN 0.728 nan 8.180 nan 0.000 0.542 499 H N 0.319 119.499 119.070 0.183 0.000 2.299 499 H HA -0.167 4.389 4.556 0.000 0.000 0.302 499 H C 2.428 177.702 175.328 -0.091 0.000 1.078 499 H CA 1.913 57.989 56.048 0.046 0.000 1.323 499 H CB -0.357 29.461 29.762 0.094 0.000 1.381 499 H HN 0.039 nan 8.280 nan 0.000 0.498 500 L N 0.552 121.675 121.223 -0.166 0.000 2.131 500 L HA -0.117 4.223 4.340 0.000 0.000 0.210 500 L C 2.820 179.535 176.870 -0.259 0.000 1.092 500 L CA 0.721 55.377 54.840 -0.307 0.000 0.759 500 L CB -0.500 41.440 42.059 -0.197 0.000 0.903 500 L HN 0.367 nan 8.230 nan 0.000 0.435 501 A N 0.014 122.706 122.820 -0.213 0.000 2.248 501 A HA 0.031 4.351 4.320 0.000 0.000 0.210 501 A C 1.748 179.147 177.584 -0.308 0.000 1.174 501 A CA 1.310 53.195 52.037 -0.254 0.000 0.750 501 A CB -0.594 18.231 19.000 -0.290 0.000 0.780 501 A HN 0.456 nan 8.150 nan 0.000 0.478 502 G N -0.738 107.877 108.800 -0.308 0.000 3.969 502 G HA2 0.398 4.358 3.960 0.000 0.000 0.291 502 G HA3 0.398 4.358 3.960 0.000 0.000 0.291 502 G C 0.302 175.011 174.900 -0.317 0.000 1.016 502 G CA 0.648 45.552 45.100 -0.326 0.000 0.819 502 G HN 0.571 nan 8.290 nan 0.000 0.493 503 T N -3.924 110.431 114.554 -0.331 0.000 2.910 503 T HA 0.575 4.925 4.350 0.000 0.000 0.287 503 T C 0.562 175.105 174.700 -0.262 0.000 1.050 503 T CA -0.295 61.598 62.100 -0.345 0.000 1.011 503 T CB 2.309 70.858 68.868 -0.532 0.000 1.195 503 T HN 0.101 nan 8.240 nan 0.000 0.540 504 Q N 0.312 119.996 119.800 -0.193 0.000 2.179 504 Q HA -0.320 4.020 4.340 0.000 0.000 0.439 504 Q C 1.169 177.067 176.000 -0.170 0.000 0.717 504 Q CA 2.065 57.792 55.803 -0.126 0.000 0.885 504 Q CB -1.338 27.278 28.738 -0.203 0.000 3.233 504 Q HN 0.946 nan 8.270 nan 0.000 0.899 505 Q N 1.219 120.780 119.800 -0.399 0.000 2.344 505 Q HA 0.047 4.387 4.340 0.000 0.000 0.212 505 Q C 0.381 175.935 176.000 -0.745 0.000 0.943 505 Q CA 0.364 55.578 55.803 -0.981 0.000 0.955 505 Q CB -0.136 28.113 28.738 -0.815 0.000 1.000 505 Q HN 0.328 nan 8.270 nan 0.000 0.488 506 N N -0.751 117.745 118.700 -0.339 0.000 2.160 506 N HA -0.000 4.740 4.740 0.000 0.000 0.226 506 N C 0.886 176.285 175.510 -0.185 0.000 1.256 506 N CA -0.098 52.827 53.050 -0.208 0.000 0.890 506 N CB 0.513 38.864 38.487 -0.227 0.000 1.116 506 N HN -0.084 nan 8.380 nan 0.000 0.517 507 K N 1.370 121.687 120.400 -0.138 0.000 2.113 507 K HA -0.174 4.146 4.320 0.000 0.000 0.208 507 K C 1.944 178.108 176.600 -0.727 0.000 1.047 507 K CA 1.395 57.438 56.287 -0.408 0.000 0.928 507 K CB -0.054 32.227 32.500 -0.366 0.000 0.716 507 K HN 0.037 nan 8.250 nan 0.000 0.446 508 Q N 0.699 120.301 119.800 -0.328 0.000 2.297 508 Q HA -0.109 4.231 4.340 0.000 0.000 0.208 508 Q C 1.296 177.149 176.000 -0.245 0.000 0.981 508 Q CA 1.570 57.239 55.803 -0.224 0.000 0.876 508 Q CB -0.353 28.425 28.738 0.066 0.000 0.921 508 Q HN 0.394 nan 8.270 nan 0.000 0.446 509 N N -0.886 117.655 118.700 -0.265 0.000 2.166 509 N HA -0.122 4.618 4.740 0.000 0.000 0.186 509 N C 1.617 176.963 175.510 -0.274 0.000 1.019 509 N CA 1.446 54.362 53.050 -0.223 0.000 0.856 509 N CB -0.224 38.116 38.487 -0.246 0.000 0.993 509 N HN 0.162 nan 8.380 nan 0.000 0.426 510 V N 1.329 120.961 119.914 -0.470 0.000 2.255 510 V HA -0.233 3.887 4.120 0.000 0.000 0.247 510 V C 1.985 177.935 176.094 -0.240 0.000 1.051 510 V CA 1.552 63.583 62.300 -0.449 0.000 1.018 510 V CB -0.770 30.643 31.823 -0.684 0.000 0.641 510 V HN 0.078 nan 8.190 nan 0.000 0.445 511 F N 0.648 120.539 119.950 -0.099 0.000 2.134 511 F HA -0.120 4.407 4.527 0.000 0.000 0.299 511 F C 2.385 178.220 175.800 0.057 0.000 1.097 511 F CA 1.031 59.018 58.000 -0.021 0.000 1.264 511 F CB -1.301 37.649 39.000 -0.084 0.000 1.001 511 F HN 0.210 nan 8.300 nan 0.000 0.479 512 D N 0.526 121.028 120.400 0.169 0.000 2.104 512 D HA -0.174 4.466 4.640 0.000 0.000 0.194 512 D C 1.747 178.138 176.300 0.151 0.000 0.994 512 D CA 1.709 55.786 54.000 0.128 0.000 0.830 512 D CB -0.494 40.347 40.800 0.068 0.000 0.959 512 D HN 0.236 nan 8.370 nan 0.000 0.452 513 D N 0.114 120.600 120.400 0.143 0.000 2.116 513 D HA -0.164 4.476 4.640 0.000 0.000 0.193 513 D C 1.841 178.342 176.300 0.335 0.000 0.998 513 D CA 0.511 54.657 54.000 0.244 0.000 0.836 513 D CB -0.554 40.342 40.800 0.160 0.000 0.951 513 D HN 0.149 nan 8.370 nan 0.000 0.449 514 F N 1.059 121.070 119.950 0.102 0.000 2.146 514 F HA -0.051 4.476 4.527 0.000 0.000 0.298 514 F C 2.219 178.034 175.800 0.026 0.000 1.096 514 F CA 0.613 58.655 58.000 0.070 0.000 1.275 514 F CB -0.381 38.661 39.000 0.069 0.000 1.008 514 F HN -0.104 nan 8.300 nan 0.000 0.480 515 I N -0.273 120.367 120.570 0.116 0.000 2.179 515 I HA -0.336 3.834 4.170 0.000 0.000 0.242 515 I C 2.639 178.710 176.117 -0.078 0.000 1.088 515 I CA 1.323 62.618 61.300 -0.008 0.000 1.357 515 I CB -0.888 37.150 38.000 0.063 0.000 1.051 515 I HN 0.142 nan 8.210 nan 0.000 0.409 516 A N 0.661 123.467 122.820 -0.024 0.000 1.940 516 A HA -0.214 4.107 4.320 0.000 0.000 0.219 516 A C 2.513 179.835 177.584 -0.438 0.000 1.176 516 A CA 1.962 53.948 52.037 -0.086 0.000 0.631 516 A CB -0.821 18.252 19.000 0.123 0.000 0.814 516 A HN 0.468 nan 8.150 nan 0.000 0.446 517 A N -0.162 122.281 122.820 -0.628 0.000 1.902 517 A HA 0.161 4.481 4.320 0.000 0.000 0.217 517 A C 2.522 179.849 177.584 -0.428 0.000 1.181 517 A CA 2.089 53.592 52.037 -0.890 0.000 0.623 517 A CB -1.043 17.702 19.000 -0.425 0.000 0.818 517 A HN 1.075 nan 8.150 nan 0.000 0.443 518 A N -0.002 122.603 122.820 -0.357 0.000 1.877 518 A HA -0.201 4.119 4.320 0.000 0.000 0.216 518 A C 1.910 179.422 177.584 -0.121 0.000 1.186 518 A CA 1.714 53.602 52.037 -0.247 0.000 0.620 518 A CB -0.593 18.247 19.000 -0.267 0.000 0.822 518 A HN 0.650 nan 8.150 nan 0.000 0.443 519 E N -1.830 118.308 120.200 -0.103 0.000 2.150 519 E HA -0.196 4.154 4.350 0.000 0.000 0.193 519 E C 1.838 178.438 176.600 0.000 0.000 0.985 519 E CA 1.289 57.666 56.400 -0.039 0.000 0.814 519 E CB -0.311 29.375 29.700 -0.023 0.000 0.752 519 E HN 0.804 nan 8.360 nan 0.000 0.466 520 Y N 1.593 121.801 120.300 -0.153 0.000 2.145 520 Y HA -0.212 4.338 4.550 0.000 0.000 0.286 520 Y C 1.996 177.905 175.900 0.016 0.000 1.145 520 Y CA 1.435 59.485 58.100 -0.083 0.000 1.148 520 Y CB -0.139 38.201 38.460 -0.199 0.000 0.981 520 Y HN -0.065 nan 8.280 nan 0.000 0.507 521 L N 0.041 121.371 121.223 0.179 0.000 2.187 521 L HA -0.251 4.089 4.340 0.000 0.000 0.213 521 L C 2.259 179.214 176.870 0.141 0.000 1.100 521 L CA 1.591 56.548 54.840 0.196 0.000 0.765 521 L CB -0.447 41.660 42.059 0.080 0.000 0.904 521 L HN 0.239 nan 8.230 nan 0.000 0.437 522 K N -0.200 120.224 120.400 0.040 0.000 2.044 522 K HA 0.014 4.334 4.320 0.000 0.000 0.204 522 K C 2.336 178.914 176.600 -0.036 0.000 1.045 522 K CA 0.990 57.283 56.287 0.009 0.000 0.951 522 K CB -0.242 32.255 32.500 -0.005 0.000 0.738 522 K HN 0.189 nan 8.250 nan 0.000 0.443 523 A N 2.044 124.822 122.820 -0.071 0.000 1.917 523 A HA -0.197 4.123 4.320 0.000 0.000 0.219 523 A C 1.679 179.166 177.584 -0.162 0.000 1.182 523 A CA 1.630 53.601 52.037 -0.110 0.000 0.633 523 A CB -0.355 18.572 19.000 -0.123 0.000 0.819 523 A HN 0.203 nan 8.150 nan 0.000 0.448 524 E N -0.869 119.192 120.200 -0.231 0.000 2.512 524 E HA 0.140 4.490 4.350 0.000 0.000 0.195 524 E C 1.190 177.607 176.600 -0.304 0.000 1.083 524 E CA 0.637 56.870 56.400 -0.278 0.000 0.873 524 E CB -0.614 28.905 29.700 -0.301 0.000 0.897 524 E HN 0.842 nan 8.360 nan 0.000 0.514 525 G N 1.018 109.709 108.800 -0.183 0.000 2.179 525 G HA2 -0.346 3.614 3.960 0.000 0.000 0.257 525 G HA3 -0.346 3.614 3.960 0.000 0.000 0.257 525 G C 0.591 175.375 174.900 -0.193 0.000 1.010 525 G CA 0.660 45.655 45.100 -0.175 0.000 0.736 525 G HN 0.329 nan 8.290 nan 0.000 0.513 526 Y N -0.342 119.921 120.300 -0.062 0.000 2.243 526 Y HA 0.336 4.886 4.550 0.000 0.000 0.293 526 Y C 2.136 178.018 175.900 -0.029 0.000 1.124 526 Y CA 1.973 60.042 58.100 -0.051 0.000 1.159 526 Y CB 0.260 38.716 38.460 -0.006 0.000 1.008 526 Y HN 0.421 nan 8.280 nan 0.000 0.527 527 T N -1.012 113.629 114.554 0.145 0.000 2.626 527 T HA 0.603 4.953 4.350 0.000 0.000 0.299 527 T C -1.731 173.002 174.700 0.055 0.000 1.181 527 T CA -0.962 61.196 62.100 0.097 0.000 1.053 527 T CB 1.345 70.286 68.868 0.122 0.000 1.566 527 T HN 0.167 nan 8.240 nan 0.000 0.486 528 R N -0.233 120.296 120.500 0.049 0.000 2.710 528 R HA 0.529 4.869 4.340 0.000 0.000 0.270 528 R C 0.628 176.945 176.300 0.029 0.000 1.021 528 R CA -0.486 55.630 56.100 0.026 0.000 0.889 528 R CB 0.276 30.584 30.300 0.013 0.000 1.243 528 R HN 0.545 nan 8.270 nan 0.000 0.464 529 T N 0.759 115.323 114.554 0.016 0.000 2.635 529 T HA -0.297 4.053 4.350 0.000 0.000 0.265 529 T C 0.901 175.612 174.700 0.020 0.000 1.058 529 T CA 2.653 64.761 62.100 0.015 0.000 1.162 529 T CB -0.643 68.232 68.868 0.010 0.000 0.859 529 T HN 0.866 nan 8.240 nan 0.000 0.449 530 D N -0.013 120.397 120.400 0.017 0.000 2.352 530 D HA -0.020 4.620 4.640 0.000 0.000 0.232 530 D C 1.636 177.959 176.300 0.038 0.000 1.055 530 D CA 0.291 54.298 54.000 0.012 0.000 0.891 530 D CB 0.055 40.854 40.800 -0.002 0.000 0.897 530 D HN 0.133 nan 8.370 nan 0.000 0.529 531 R N -0.358 120.181 120.500 0.066 0.000 2.549 531 R HA 0.314 4.654 4.340 0.000 0.000 0.344 531 R C -0.576 175.811 176.300 0.145 0.000 0.979 531 R CA -0.506 55.669 56.100 0.125 0.000 1.140 531 R CB 0.401 30.773 30.300 0.120 0.000 1.377 531 R HN 0.246 nan 8.270 nan 0.000 0.541 532 L N 0.657 121.940 121.223 0.100 0.000 2.325 532 L HA 0.750 5.090 4.340 0.000 0.000 0.278 532 L C -1.022 175.901 176.870 0.088 0.000 1.023 532 L CA -0.616 54.279 54.840 0.092 0.000 0.811 532 L CB 1.779 43.863 42.059 0.041 0.000 1.249 532 L HN 0.085 nan 8.230 nan 0.000 0.431 533 A N 5.872 128.753 122.820 0.101 0.000 2.422 533 A HA 0.742 5.062 4.320 0.000 0.000 0.302 533 A C -0.983 176.655 177.584 0.091 0.000 1.041 533 A CA -0.584 51.512 52.037 0.099 0.000 0.708 533 A CB 1.080 20.151 19.000 0.118 0.000 1.257 533 A HN 0.839 nan 8.150 nan 0.000 0.414 534 I N -0.589 120.048 120.570 0.112 0.000 2.460 534 I HA 0.880 5.050 4.170 0.000 0.000 0.298 534 I C -0.251 175.999 176.117 0.221 0.000 0.989 534 I CA -0.778 60.628 61.300 0.175 0.000 1.173 534 I CB 1.749 39.872 38.000 0.206 0.000 1.338 534 I HN 0.727 nan 8.210 nan 0.000 0.456 535 R N 3.277 123.942 120.500 0.276 0.000 2.771 535 R HA 0.862 5.202 4.340 0.000 0.000 0.274 535 R C -1.017 175.355 176.300 0.120 0.000 0.987 535 R CA -0.707 55.535 56.100 0.236 0.000 0.908 535 R CB 2.512 32.996 30.300 0.307 0.000 1.213 535 R HN 1.107 nan 8.270 nan 0.000 0.468 536 G N 0.081 108.923 108.800 0.070 0.000 2.556 536 G HA2 0.464 4.424 3.960 0.000 0.000 0.294 536 G HA3 0.464 4.424 3.960 0.000 0.000 0.294 536 G C -1.650 173.260 174.900 0.016 0.000 1.516 536 G CA -0.378 44.653 45.100 -0.116 0.000 0.824 536 G HN 0.729 nan 8.290 nan 0.000 0.535 537 G N -0.567 108.269 108.800 0.061 0.000 2.542 537 G HA2 0.726 4.686 3.960 0.000 0.000 0.311 537 G HA3 0.726 4.686 3.960 0.000 0.000 0.311 537 G C 0.402 175.317 174.900 0.025 0.000 1.298 537 G CA 0.943 46.083 45.100 0.067 0.000 0.973 537 G HN 1.769 nan 8.290 nan 0.000 0.487 538 S N 0.721 116.380 115.700 -0.068 0.000 4.151 538 S HA -0.363 4.107 4.470 0.000 0.000 0.603 538 S C 1.964 176.385 174.600 -0.298 0.000 1.878 538 S CA 1.150 59.242 58.200 -0.181 0.000 4.246 538 S CB -1.311 61.810 63.200 -0.131 0.000 0.211 538 S HN 0.932 nan 8.310 nan 0.000 0.469 539 N N 2.524 120.979 118.700 -0.408 0.000 2.381 539 N HA -0.079 4.661 4.740 0.000 0.000 0.182 539 N C 1.643 176.842 175.510 -0.519 0.000 1.025 539 N CA 1.460 54.223 53.050 -0.478 0.000 0.888 539 N CB -0.601 37.466 38.487 -0.700 0.000 0.965 539 N HN 0.622 nan 8.380 nan 0.000 0.438 540 G N -0.083 108.441 108.800 -0.460 0.000 2.430 540 G HA2 -0.061 3.899 3.960 0.000 0.000 0.216 540 G HA3 -0.061 3.899 3.960 0.000 0.000 0.216 540 G C 1.463 176.212 174.900 -0.252 0.000 1.146 540 G CA 0.682 45.582 45.100 -0.333 0.000 0.793 540 G HN 0.397 nan 8.290 nan 0.000 0.537 541 G N 0.983 109.663 108.800 -0.199 0.000 2.408 541 G HA2 -0.104 3.856 3.960 0.000 0.000 0.217 541 G HA3 -0.104 3.856 3.960 0.000 0.000 0.217 541 G C 1.713 176.468 174.900 -0.243 0.000 1.150 541 G CA 1.001 45.992 45.100 -0.181 0.000 0.776 541 G HN 0.397 nan 8.290 nan 0.000 0.542 542 L N 0.453 121.518 121.223 -0.264 0.000 2.012 542 L HA 0.001 4.341 4.340 0.000 0.000 0.210 542 L C 2.527 179.276 176.870 -0.202 0.000 1.073 542 L CA 1.838 56.527 54.840 -0.251 0.000 0.748 542 L CB -0.797 41.135 42.059 -0.211 0.000 0.891 542 L HN 0.191 nan 8.230 nan 0.000 0.431 543 L N -0.871 120.257 121.223 -0.158 0.000 1.978 543 L HA -0.221 4.120 4.340 0.000 0.000 0.218 543 L C 2.422 179.199 176.870 -0.155 0.000 1.075 543 L CA 2.319 57.088 54.840 -0.118 0.000 0.767 543 L CB -0.948 40.895 42.059 -0.359 0.000 0.890 543 L HN 0.150 nan 8.230 nan 0.000 0.434 544 V N 0.272 120.102 119.914 -0.140 0.000 2.287 544 V HA -0.266 3.854 4.120 0.000 0.000 0.248 544 V C 2.637 178.702 176.094 -0.047 0.000 1.053 544 V CA 1.964 64.257 62.300 -0.011 0.000 1.027 544 V CB -1.719 30.112 31.823 0.014 0.000 0.646 544 V HN 0.689 nan 8.190 nan 0.000 0.447 545 G N -0.663 108.030 108.800 -0.178 0.000 2.440 545 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 545 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 545 G C 1.735 176.525 174.900 -0.182 0.000 1.154 545 G CA 1.170 46.114 45.100 -0.259 0.000 0.767 545 G HN 0.631 nan 8.290 nan 0.000 0.552 546 A N 0.014 122.633 122.820 -0.334 0.000 1.872 546 A HA 0.159 4.479 4.320 0.000 0.000 0.214 546 A C 2.593 179.981 177.584 -0.326 0.000 1.187 546 A CA 1.669 53.416 52.037 -0.484 0.000 0.614 546 A CB -0.610 17.621 19.000 -1.281 0.000 0.826 546 A HN 0.241 nan 8.150 nan 0.000 0.442 547 V N 1.143 120.915 119.914 -0.237 0.000 2.407 547 V HA -0.329 3.791 4.120 0.000 0.000 0.248 547 V C 2.767 178.888 176.094 0.045 0.000 1.055 547 V CA 2.306 64.587 62.300 -0.032 0.000 1.049 547 V CB -0.957 30.956 31.823 0.150 0.000 0.662 547 V HN 0.830 nan 8.190 nan 0.000 0.455 548 M N 0.851 120.503 119.600 0.086 0.000 2.394 548 M HA -0.086 4.394 4.480 0.000 0.000 0.264 548 M C 1.877 178.328 176.300 0.251 0.000 1.073 548 M CA 2.175 57.579 55.300 0.174 0.000 1.111 548 M CB -0.906 31.822 32.600 0.214 0.000 1.401 548 M HN 0.411 nan 8.290 nan 0.000 0.448 549 T N -2.071 112.598 114.554 0.191 0.000 3.035 549 T HA 0.098 4.448 4.350 0.000 0.000 0.259 549 T C 1.729 176.524 174.700 0.157 0.000 1.078 549 T CA 0.686 62.942 62.100 0.260 0.000 1.132 549 T CB -0.140 68.835 68.868 0.179 0.000 0.900 549 T HN 0.583 nan 8.240 nan 0.000 0.480 550 Q N 0.304 120.144 119.800 0.065 0.000 2.204 550 Q HA 0.214 4.554 4.340 0.000 0.000 0.198 550 Q C 0.624 176.648 176.000 0.039 0.000 0.946 550 Q CA 0.474 56.298 55.803 0.035 0.000 0.859 550 Q CB 0.476 29.211 28.738 -0.005 0.000 0.946 550 Q HN 0.166 nan 8.270 nan 0.000 0.474 551 R N 0.806 121.336 120.500 0.049 0.000 2.681 551 R HA 0.191 4.531 4.340 0.000 0.000 0.277 551 R C -2.293 174.037 176.300 0.050 0.000 1.563 551 R CA -1.452 54.670 56.100 0.037 0.000 1.673 551 R CB 0.794 31.112 30.300 0.030 0.000 1.258 551 R HN 0.117 nan 8.270 nan 0.000 0.650 552 P HA -0.114 nan 4.420 nan 0.000 0.234 552 P C 0.350 177.669 177.300 0.032 0.000 1.167 552 P CA 0.997 64.131 63.100 0.056 0.000 0.763 552 P CB 0.356 32.003 31.700 -0.088 0.000 0.835 553 D N -0.991 119.417 120.400 0.012 0.000 2.350 553 D HA -0.034 4.606 4.640 0.000 0.000 0.213 553 D C 1.775 178.086 176.300 0.017 0.000 1.031 553 D CA -0.084 53.925 54.000 0.014 0.000 0.861 553 D CB -0.550 40.250 40.800 -0.000 0.000 0.926 553 D HN 0.092 nan 8.370 nan 0.000 0.520 554 L N 0.737 121.971 121.223 0.017 0.000 2.156 554 L HA 0.084 4.424 4.340 0.000 0.000 0.208 554 L C 0.748 177.619 176.870 0.003 0.000 1.095 554 L CA 0.941 55.783 54.840 0.004 0.000 0.770 554 L CB -0.157 41.900 42.059 -0.004 0.000 0.914 554 L HN 0.116 nan 8.230 nan 0.000 0.439 555 M N -2.683 116.929 119.600 0.019 0.000 2.691 555 M HA 0.376 4.856 4.480 0.000 0.000 0.293 555 M C 0.497 176.804 176.300 0.012 0.000 1.259 555 M CA -0.639 54.672 55.300 0.018 0.000 0.827 555 M CB 1.300 33.917 32.600 0.029 0.000 1.753 555 M HN -0.190 nan 8.290 nan 0.000 0.465 556 R N 0.403 120.902 120.500 -0.002 0.000 2.206 556 R HA 0.524 4.864 4.340 0.000 0.000 0.198 556 R C -0.716 175.535 176.300 -0.082 0.000 0.986 556 R CA 0.817 56.876 56.100 -0.068 0.000 1.029 556 R CB 0.348 30.620 30.300 -0.046 0.000 0.966 556 R HN 0.570 nan 8.270 nan 0.000 0.487 557 V N 0.329 120.249 119.914 0.010 0.000 2.789 557 V HA 0.782 4.902 4.120 0.000 0.000 0.311 557 V C -1.167 175.000 176.094 0.122 0.000 1.073 557 V CA -0.831 61.507 62.300 0.063 0.000 0.921 557 V CB 1.797 33.664 31.823 0.073 0.000 1.009 557 V HN 0.191 nan 8.190 nan 0.000 0.426 558 A N 4.651 127.574 122.820 0.171 0.000 2.343 558 A HA 0.902 5.222 4.320 0.000 0.000 0.308 558 A C -1.051 176.646 177.584 0.189 0.000 1.092 558 A CA -0.396 51.745 52.037 0.174 0.000 0.751 558 A CB 1.034 20.141 19.000 0.178 0.000 1.203 558 A HN 0.811 nan 8.150 nan 0.000 0.452 559 L N 4.633 125.952 121.223 0.161 0.000 2.495 559 L HA 0.340 4.680 4.340 0.000 0.000 0.248 559 L C -2.413 174.515 176.870 0.097 0.000 1.229 559 L CA -1.434 53.486 54.840 0.133 0.000 0.942 559 L CB 1.717 43.854 42.059 0.129 0.000 1.242 559 L HN 0.474 nan 8.230 nan 0.000 0.484 560 P HA 0.285 nan 4.420 nan 0.000 0.292 560 P C -0.692 176.619 177.300 0.019 0.000 1.326 560 P CA -0.086 63.031 63.100 0.028 0.000 0.787 560 P CB 1.862 33.567 31.700 0.008 0.000 0.903 561 A N 3.841 126.669 122.820 0.012 0.000 2.317 561 A HA 0.439 4.759 4.320 0.000 0.000 0.327 561 A C 0.683 178.260 177.584 -0.012 0.000 1.178 561 A CA -0.739 51.306 52.037 0.013 0.000 0.817 561 A CB 0.541 19.564 19.000 0.038 0.000 1.189 561 A HN 0.337 nan 8.150 nan 0.000 0.489 562 V N 1.728 121.635 119.914 -0.011 0.000 5.257 562 V HA -0.256 3.864 4.120 0.000 0.000 0.265 562 V C 1.201 177.247 176.094 -0.080 0.000 0.646 562 V CA 1.089 63.373 62.300 -0.027 0.000 0.650 562 V CB -2.203 29.616 31.823 -0.008 0.000 0.424 562 V HN 1.360 nan 8.190 nan 0.000 0.862 563 G N -0.446 108.286 108.800 -0.113 0.000 2.507 563 G HA2 0.501 4.461 3.960 0.000 0.000 0.271 563 G HA3 0.501 4.461 3.960 0.000 0.000 0.271 563 G C -0.389 174.323 174.900 -0.314 0.000 1.189 563 G CA -0.464 44.509 45.100 -0.212 0.000 0.859 563 G HN 0.471 nan 8.290 nan 0.000 0.542 564 V N 2.061 121.709 119.914 -0.444 0.000 2.368 564 V HA 0.218 4.338 4.120 0.000 0.000 0.266 564 V C 0.713 176.515 176.094 -0.486 0.000 1.045 564 V CA -0.068 61.789 62.300 -0.738 0.000 0.899 564 V CB 0.856 32.357 31.823 -0.538 0.000 1.006 564 V HN 0.675 nan 8.190 nan 0.000 0.470 565 L N 2.037 123.086 121.223 -0.289 0.000 2.685 565 L HA 0.376 4.716 4.340 0.000 0.000 0.235 565 L C 0.830 177.764 176.870 0.106 0.000 1.070 565 L CA 0.197 54.950 54.840 -0.145 0.000 0.888 565 L CB 0.405 42.280 42.059 -0.306 0.000 1.203 565 L HN 0.524 nan 8.230 nan 0.000 0.499 566 D N 0.984 121.687 120.400 0.505 0.000 2.479 566 D HA 0.127 4.767 4.640 0.000 0.000 0.218 566 D C 0.955 177.532 176.300 0.462 0.000 1.131 566 D CA -0.137 54.111 54.000 0.413 0.000 0.916 566 D CB 1.024 42.062 40.800 0.397 0.000 1.022 566 D HN -0.046 nan 8.370 nan 0.000 0.515 567 M N 3.049 122.807 119.600 0.265 0.000 2.619 567 M HA -0.031 4.449 4.480 0.000 0.000 0.251 567 M C 1.121 177.575 176.300 0.257 0.000 1.106 567 M CA 0.348 55.770 55.300 0.202 0.000 1.086 567 M CB -0.181 32.317 32.600 -0.170 0.000 1.465 567 M HN 0.343 nan 8.290 nan 0.000 0.506 568 L N -1.055 120.279 121.223 0.185 0.000 2.477 568 L HA 0.057 4.397 4.340 0.000 0.000 0.220 568 L C 1.765 178.703 176.870 0.114 0.000 1.106 568 L CA 1.094 55.939 54.840 0.009 0.000 0.851 568 L CB -0.209 41.722 42.059 -0.212 0.000 0.994 568 L HN 0.215 nan 8.230 nan 0.000 0.462 569 R N -2.387 118.189 120.500 0.127 0.000 2.531 569 R HA 0.082 4.422 4.340 0.000 0.000 0.316 569 R C 1.716 177.630 176.300 -0.644 0.000 0.955 569 R CA -0.003 55.934 56.100 -0.270 0.000 1.120 569 R CB 0.150 30.288 30.300 -0.269 0.000 1.361 569 R HN 0.299 nan 8.270 nan 0.000 0.534 570 Y N 1.347 121.678 120.300 0.051 0.000 2.151 570 Y HA -0.289 4.261 4.550 0.000 0.000 0.284 570 Y C 2.247 178.215 175.900 0.113 0.000 1.166 570 Y CA 1.820 60.122 58.100 0.337 0.000 1.163 570 Y CB -0.833 37.992 38.460 0.609 0.000 0.974 570 Y HN 0.155 nan 8.280 nan 0.000 0.511 571 H N 0.048 118.474 119.070 -1.075 0.000 2.521 571 H HA -0.020 4.536 4.556 0.000 0.000 0.286 571 H C 1.589 176.683 175.328 -0.390 0.000 1.034 571 H CA 1.546 57.145 56.048 -0.748 0.000 1.278 571 H CB -1.199 28.068 29.762 -0.825 0.000 1.386 571 H HN 0.577 nan 8.280 nan 0.000 0.567 572 T N -2.446 111.535 114.554 -0.955 0.000 3.065 572 T HA 0.103 4.453 4.350 0.000 0.000 0.252 572 T C 0.493 174.978 174.700 -0.358 0.000 1.099 572 T CA -0.478 61.215 62.100 -0.677 0.000 1.063 572 T CB -0.379 68.039 68.868 -0.750 0.000 0.948 572 T HN -0.012 nan 8.240 nan 0.000 0.506 573 F N 2.803 122.679 119.950 -0.124 0.000 2.368 573 F HA 0.458 4.985 4.527 0.000 0.000 0.308 573 F C 1.224 176.986 175.800 -0.062 0.000 1.198 573 F CA -1.544 56.420 58.000 -0.059 0.000 1.130 573 F CB -0.349 38.655 39.000 0.006 0.000 1.300 573 F HN -0.155 nan 8.300 nan 0.000 0.537 574 T N 1.285 115.951 114.554 0.186 0.000 2.908 574 T HA 0.342 4.692 4.350 0.000 0.000 0.301 574 T C 0.857 175.557 174.700 0.000 0.000 1.019 574 T CA 0.754 62.892 62.100 0.063 0.000 1.152 574 T CB 0.245 69.145 68.868 0.053 0.000 0.966 574 T HN 0.942 nan 8.240 nan 0.000 0.540 575 A N 2.480 125.251 122.820 -0.082 0.000 3.413 575 A HA -0.210 4.110 4.320 0.000 0.000 0.268 575 A C 2.004 179.242 177.584 -0.576 0.000 1.128 575 A CA 1.698 53.605 52.037 -0.217 0.000 1.062 575 A CB -2.271 16.659 19.000 -0.118 0.000 1.121 575 A HN 1.187 nan 8.150 nan 0.000 0.895 576 G N -1.373 107.169 108.800 -0.430 0.000 2.471 576 G HA2 0.023 3.984 3.960 0.000 0.000 0.219 576 G HA3 0.023 3.984 3.960 0.000 0.000 0.219 576 G C 1.346 176.055 174.900 -0.318 0.000 1.125 576 G CA 2.053 46.839 45.100 -0.523 0.000 0.775 576 G HN 0.882 nan 8.290 nan 0.000 0.548 577 T N 1.226 115.657 114.554 -0.206 0.000 2.653 577 T HA -0.146 4.204 4.350 0.000 0.000 0.268 577 T C 2.407 177.087 174.700 -0.032 0.000 1.035 577 T CA 1.368 63.431 62.100 -0.062 0.000 1.154 577 T CB -0.615 68.221 68.868 -0.052 0.000 0.862 577 T HN 0.342 nan 8.240 nan 0.000 0.441 578 G N -0.196 108.482 108.800 -0.202 0.000 2.653 578 G HA2 -0.110 3.850 3.960 0.000 0.000 0.212 578 G HA3 -0.110 3.850 3.960 0.000 0.000 0.212 578 G C 0.555 175.592 174.900 0.228 0.000 1.138 578 G CA 0.043 45.111 45.100 -0.053 0.000 0.782 578 G HN 0.548 nan 8.290 nan 0.000 0.535 579 W N -0.557 120.940 121.300 0.327 0.000 2.991 579 W HA 0.568 5.228 4.660 0.000 0.000 0.391 579 W C 1.674 178.385 176.519 0.320 0.000 1.054 579 W CA -0.976 56.584 57.345 0.359 0.000 1.856 579 W CB -0.790 28.811 29.460 0.236 0.000 1.132 579 W HN 0.212 nan 8.180 nan 0.000 0.601 580 A N 0.089 123.227 122.820 0.529 0.000 1.930 580 A HA -0.242 4.078 4.320 0.000 0.000 0.217 580 A C 1.759 179.525 177.584 0.303 0.000 1.175 580 A CA 1.375 53.674 52.037 0.437 0.000 0.627 580 A CB -1.039 18.140 19.000 0.298 0.000 0.815 580 A HN 0.237 nan 8.150 nan 0.000 0.443 581 Y N 0.885 121.275 120.300 0.150 0.000 2.181 581 Y HA -0.216 4.334 4.550 0.000 0.000 0.288 581 Y C 1.746 177.606 175.900 -0.067 0.000 1.146 581 Y CA 2.134 60.263 58.100 0.049 0.000 1.164 581 Y CB -0.419 38.081 38.460 0.066 0.000 0.982 581 Y HN 0.426 nan 8.280 nan 0.000 0.515 582 D N -2.164 118.089 120.400 -0.246 0.000 2.213 582 D HA -0.106 4.534 4.640 0.000 0.000 0.205 582 D C 1.240 177.348 176.300 -0.319 0.000 0.961 582 D CA 1.266 54.899 54.000 -0.612 0.000 0.853 582 D CB -0.004 39.934 40.800 -1.436 0.000 0.967 582 D HN 0.341 nan 8.370 nan 0.000 0.496 583 Y N -0.400 119.875 120.300 -0.041 0.000 2.464 583 Y HA 0.379 4.929 4.550 0.000 0.000 0.288 583 Y C 1.542 177.520 175.900 0.130 0.000 1.133 583 Y CA 0.492 58.627 58.100 0.058 0.000 1.223 583 Y CB -0.136 38.367 38.460 0.071 0.000 1.187 583 Y HN -0.059 nan 8.280 nan 0.000 0.539 584 G N 0.266 109.261 108.800 0.325 0.000 2.728 584 G HA2 0.080 4.040 3.960 0.000 0.000 0.294 584 G HA3 0.080 4.040 3.960 0.000 0.000 0.294 584 G C -0.340 174.713 174.900 0.254 0.000 1.342 584 G CA -0.423 44.803 45.100 0.210 0.000 0.866 584 G HN 0.588 nan 8.290 nan 0.000 0.534 585 T N -3.842 110.754 114.554 0.071 0.000 2.896 585 T HA 0.758 5.108 4.350 0.000 0.000 0.297 585 T C 1.572 176.206 174.700 -0.110 0.000 1.108 585 T CA 0.737 62.739 62.100 -0.163 0.000 1.004 585 T CB 1.390 69.918 68.868 -0.566 0.000 1.159 585 T HN 2.230 nan 8.240 nan 0.000 0.499 586 S N 0.790 116.372 115.700 -0.196 0.000 2.440 586 S HA -0.057 4.413 4.470 0.000 0.000 0.238 586 S C 2.109 176.749 174.600 0.067 0.000 1.010 586 S CA 0.762 58.950 58.200 -0.019 0.000 0.972 586 S CB -0.865 62.181 63.200 -0.257 0.000 0.774 586 S HN 1.135 nan 8.310 nan 0.000 0.501 587 A N 1.503 124.300 122.820 -0.038 0.000 2.132 587 A HA 0.109 4.429 4.320 0.000 0.000 0.213 587 A C 1.732 179.440 177.584 0.206 0.000 1.154 587 A CA 0.736 52.794 52.037 0.035 0.000 0.753 587 A CB -0.403 18.601 19.000 0.007 0.000 0.826 587 A HN 0.396 nan 8.150 nan 0.000 0.469 588 D N 0.768 121.254 120.400 0.143 0.000 2.126 588 D HA -0.078 4.562 4.640 0.000 0.000 0.190 588 D C 1.093 177.508 176.300 0.193 0.000 1.001 588 D CA 1.983 56.066 54.000 0.138 0.000 0.841 588 D CB -0.093 40.756 40.800 0.082 0.000 0.949 588 D HN 0.582 nan 8.370 nan 0.000 0.446 589 S N -2.440 113.390 115.700 0.216 0.000 2.611 589 S HA 0.172 4.642 4.470 0.000 0.000 0.270 589 S C 0.434 174.830 174.600 -0.340 0.000 1.131 589 S CA -0.562 57.576 58.200 -0.103 0.000 0.826 589 S CB 1.562 64.698 63.200 -0.105 0.000 1.095 589 S HN 0.021 nan 8.310 nan 0.000 0.461 590 E N 0.817 120.401 120.200 -1.026 0.000 2.160 590 E HA -0.122 4.228 4.350 0.000 0.000 0.195 590 E C 1.917 178.488 176.600 -0.049 0.000 0.991 590 E CA 1.680 57.716 56.400 -0.607 0.000 0.810 590 E CB -0.484 28.883 29.700 -0.555 0.000 0.742 590 E HN 0.748 nan 8.360 nan 0.000 0.466 591 A N 0.561 123.328 122.820 -0.088 0.000 1.873 591 A HA -0.152 4.168 4.320 0.000 0.000 0.215 591 A C 2.114 179.733 177.584 0.058 0.000 1.186 591 A CA 1.550 53.583 52.037 -0.008 0.000 0.616 591 A CB -0.511 18.462 19.000 -0.044 0.000 0.823 591 A HN 0.385 nan 8.150 nan 0.000 0.442 592 M N -1.207 118.435 119.600 0.069 0.000 2.117 592 M HA -0.049 4.431 4.480 0.000 0.000 0.262 592 M C 1.782 178.183 176.300 0.169 0.000 1.065 592 M CA 1.510 56.880 55.300 0.116 0.000 1.114 592 M CB -0.819 31.844 32.600 0.105 0.000 1.361 592 M HN 0.480 nan 8.290 nan 0.000 0.408 593 F N 0.844 120.840 119.950 0.077 0.000 2.095 593 F HA -0.241 4.286 4.527 0.000 0.000 0.298 593 F C 1.856 177.659 175.800 0.006 0.000 1.104 593 F CA 2.132 60.159 58.000 0.045 0.000 1.232 593 F CB -0.813 38.311 39.000 0.206 0.000 0.987 593 F HN 0.217 nan 8.300 nan 0.000 0.475 594 D N -1.026 119.244 120.400 -0.217 0.000 2.178 594 D HA -0.226 4.414 4.640 0.000 0.000 0.201 594 D C 1.999 178.181 176.300 -0.198 0.000 0.980 594 D CA 1.400 55.211 54.000 -0.316 0.000 0.842 594 D CB -0.525 40.241 40.800 -0.056 0.000 0.948 594 D HN 0.412 nan 8.370 nan 0.000 0.472 595 Y N 1.389 121.594 120.300 -0.157 0.000 2.184 595 Y HA -0.067 4.483 4.550 0.000 0.000 0.290 595 Y C 2.355 178.170 175.900 -0.143 0.000 1.129 595 Y CA 0.948 59.014 58.100 -0.056 0.000 1.144 595 Y CB -0.364 38.114 38.460 0.030 0.000 0.995 595 Y HN -0.141 nan 8.280 nan 0.000 0.513 596 L N 0.268 121.395 121.223 -0.160 0.000 2.012 596 L HA -0.279 4.061 4.340 0.000 0.000 0.210 596 L C 2.549 179.021 176.870 -0.663 0.000 1.073 596 L CA 2.048 56.597 54.840 -0.484 0.000 0.748 596 L CB -0.588 41.332 42.059 -0.232 0.000 0.891 596 L HN 0.140 nan 8.230 nan 0.000 0.431 597 K N 0.200 120.236 120.400 -0.607 0.000 2.209 597 K HA -0.135 4.185 4.320 0.000 0.000 0.204 597 K C 1.981 178.344 176.600 -0.395 0.000 1.048 597 K CA 1.210 57.147 56.287 -0.583 0.000 0.940 597 K CB -0.211 31.783 32.500 -0.844 0.000 0.729 597 K HN 0.349 nan 8.250 nan 0.000 0.451 598 G N 0.257 108.832 108.800 -0.374 0.000 2.448 598 G HA2 -0.243 3.717 3.960 0.000 0.000 0.219 598 G HA3 -0.243 3.717 3.960 0.000 0.000 0.219 598 G C 1.170 175.987 174.900 -0.139 0.000 1.127 598 G CA 1.150 46.111 45.100 -0.231 0.000 0.766 598 G HN 0.601 nan 8.290 nan 0.000 0.552 599 Y N -1.183 118.977 120.300 -0.232 0.000 2.423 599 Y HA 0.499 5.049 4.550 0.000 0.000 0.257 599 Y C 1.137 176.940 175.900 -0.161 0.000 1.087 599 Y CA -0.644 57.336 58.100 -0.200 0.000 1.258 599 Y CB -0.353 37.997 38.460 -0.183 0.000 1.237 599 Y HN -0.008 nan 8.280 nan 0.000 0.517 600 S N 4.064 119.504 115.700 -0.434 0.000 2.998 600 S HA -0.010 4.460 4.470 0.000 0.000 0.348 600 S C -1.414 173.178 174.600 -0.014 0.000 1.210 600 S CA -0.572 57.504 58.200 -0.207 0.000 1.118 600 S CB 0.391 63.569 63.200 -0.038 0.000 0.832 600 S HN 0.262 nan 8.310 nan 0.000 0.516 601 P HA -0.161 nan 4.420 nan 0.000 0.215 601 P C 1.655 179.038 177.300 0.138 0.000 1.163 601 P CA 0.661 63.741 63.100 -0.032 0.000 0.894 601 P CB 0.022 31.504 31.700 -0.363 0.000 0.791 602 L N -0.733 120.525 121.223 0.058 0.000 2.043 602 L HA -0.207 4.133 4.340 0.000 0.000 0.212 602 L C 2.009 178.776 176.870 -0.170 0.000 1.075 602 L CA 2.059 56.901 54.840 0.002 0.000 0.752 602 L CB -1.409 40.511 42.059 -0.231 0.000 0.891 602 L HN 0.181 nan 8.230 nan 0.000 0.432 603 H N -1.292 117.827 119.070 0.082 0.000 2.539 603 H HA 0.183 4.739 4.556 0.000 0.000 0.267 603 H C 0.831 176.184 175.328 0.041 0.000 0.982 603 H CA 0.492 56.570 56.048 0.050 0.000 1.146 603 H CB 0.022 29.789 29.762 0.008 0.000 1.382 603 H HN 0.509 nan 8.280 nan 0.000 0.577 604 N N 0.855 119.631 118.700 0.127 0.000 2.203 604 N HA 0.050 4.790 4.740 0.000 0.000 0.207 604 N C -0.031 175.563 175.510 0.140 0.000 1.130 604 N CA 0.064 53.181 53.050 0.112 0.000 0.861 604 N CB 1.646 40.182 38.487 0.083 0.000 1.005 604 N HN -0.034 nan 8.380 nan 0.000 0.507 605 V N 1.967 121.944 119.914 0.104 0.000 2.555 605 V HA 0.196 4.316 4.120 0.000 0.000 0.286 605 V C 0.472 176.651 176.094 0.143 0.000 1.044 605 V CA 0.058 62.394 62.300 0.060 0.000 1.026 605 V CB 0.866 32.590 31.823 -0.165 0.000 0.981 605 V HN 0.060 nan 8.190 nan 0.000 0.480 606 R N 4.647 125.308 120.500 0.269 0.000 2.621 606 R HA 0.452 4.792 4.340 0.000 0.000 0.292 606 R C -2.805 173.602 176.300 0.179 0.000 0.969 606 R CA -1.964 54.243 56.100 0.178 0.000 0.887 606 R CB 2.101 32.482 30.300 0.135 0.000 1.180 606 R HN 0.417 nan 8.270 nan 0.000 0.450 607 P HA -0.003 nan 4.420 nan 0.000 0.266 607 P C 0.615 177.963 177.300 0.080 0.000 1.195 607 P CA 0.975 64.135 63.100 0.101 0.000 0.768 607 P CB 0.750 32.495 31.700 0.075 0.000 0.838 608 G N 0.902 109.746 108.800 0.074 0.000 2.299 608 G HA2 -0.240 3.720 3.960 0.000 0.000 0.237 608 G HA3 -0.240 3.720 3.960 0.000 0.000 0.237 608 G C 0.182 175.082 174.900 -0.000 0.000 1.027 608 G CA -0.004 45.117 45.100 0.036 0.000 0.619 608 G HN 0.543 nan 8.290 nan 0.000 0.513 609 V N 1.518 121.419 119.914 -0.021 0.000 2.715 609 V HA 0.513 4.633 4.120 0.000 0.000 0.299 609 V C 1.049 176.992 176.094 -0.251 0.000 1.054 609 V CA 0.790 62.969 62.300 -0.202 0.000 1.077 609 V CB 1.679 33.258 31.823 -0.406 0.000 0.972 609 V HN 0.593 nan 8.190 nan 0.000 0.484 610 S N 4.315 119.852 115.700 -0.271 0.000 2.404 610 S HA 0.493 4.963 4.470 0.000 0.000 0.309 610 S C -0.734 173.752 174.600 -0.190 0.000 1.076 610 S CA -0.523 57.587 58.200 -0.149 0.000 1.095 610 S CB -0.318 62.822 63.200 -0.101 0.000 0.972 610 S HN 0.445 nan 8.310 nan 0.000 0.484 611 Y N 5.079 125.440 120.300 0.100 0.000 2.374 611 Y HA 0.441 4.991 4.550 0.000 0.000 0.322 611 Y C -1.511 174.532 175.900 0.238 0.000 1.275 611 Y CA -2.054 56.122 58.100 0.127 0.000 1.307 611 Y CB 0.486 38.986 38.460 0.067 0.000 1.282 611 Y HN 0.494 nan 8.280 nan 0.000 0.509 612 P HA 0.022 nan 4.420 nan 0.000 0.273 612 P C -0.694 176.688 177.300 0.136 0.000 1.250 612 P CA -0.305 62.880 63.100 0.142 0.000 0.793 612 P CB 0.658 32.416 31.700 0.097 0.000 1.011 613 S N -0.109 115.563 115.700 -0.046 0.000 2.537 613 S HA 0.230 4.700 4.470 0.000 0.000 0.286 613 S C 0.201 174.958 174.600 0.262 0.000 1.299 613 S CA 0.365 58.638 58.200 0.120 0.000 1.067 613 S CB -0.555 62.612 63.200 -0.054 0.000 0.864 613 S HN 0.425 nan 8.310 nan 0.000 0.494 614 T N 3.623 118.375 114.554 0.330 0.000 2.886 614 T HA 0.539 4.889 4.350 0.000 0.000 0.292 614 T C -0.594 174.173 174.700 0.111 0.000 1.012 614 T CA -0.542 61.703 62.100 0.243 0.000 0.982 614 T CB 1.355 70.289 68.868 0.111 0.000 1.018 614 T HN 0.603 nan 8.240 nan 0.000 0.451 615 M N 3.818 123.435 119.600 0.028 0.000 2.035 615 M HA 0.490 4.970 4.480 0.000 0.000 0.286 615 M C -1.547 174.712 176.300 -0.068 0.000 0.907 615 M CA -0.593 54.573 55.300 -0.223 0.000 0.935 615 M CB 0.624 32.897 32.600 -0.546 0.000 1.557 615 M HN 0.355 nan 8.290 nan 0.000 0.426 616 V N 3.646 123.538 119.914 -0.037 0.000 2.530 616 V HA 0.499 4.619 4.120 0.000 0.000 0.282 616 V C 0.366 176.463 176.094 0.006 0.000 1.048 616 V CA -0.229 62.095 62.300 0.041 0.000 0.997 616 V CB 1.114 33.004 31.823 0.112 0.000 0.987 616 V HN 0.862 nan 8.190 nan 0.000 0.477 617 T N 0.834 115.400 114.554 0.019 0.000 2.841 617 T HA 0.770 5.120 4.350 0.000 0.000 0.283 617 T C -0.449 174.271 174.700 0.033 0.000 1.000 617 T CA -0.664 61.442 62.100 0.009 0.000 0.977 617 T CB 1.940 70.801 68.868 -0.012 0.000 0.979 617 T HN 0.815 nan 8.240 nan 0.000 0.446 618 T N 0.161 114.742 114.554 0.046 0.000 2.775 618 T HA 0.630 4.980 4.350 0.000 0.000 0.320 618 T C -1.082 173.649 174.700 0.051 0.000 1.597 618 T CA -0.152 61.974 62.100 0.043 0.000 1.022 618 T CB 1.048 69.940 68.868 0.040 0.000 1.485 618 T HN 1.222 nan 8.240 nan 0.000 0.494 619 A N 1.336 124.172 122.820 0.025 0.000 2.287 619 A HA 0.558 4.878 4.320 0.000 0.000 0.273 619 A C 1.069 178.663 177.584 0.016 0.000 1.091 619 A CA 0.322 52.375 52.037 0.028 0.000 0.817 619 A CB 0.138 19.157 19.000 0.031 0.000 1.069 619 A HN 0.952 nan 8.150 nan 0.000 0.492 620 D N -0.700 119.689 120.400 -0.018 0.000 2.277 620 D HA -0.014 4.627 4.640 0.000 0.000 0.208 620 D C 0.131 176.108 176.300 -0.538 0.000 0.962 620 D CA 1.318 55.223 54.000 -0.158 0.000 0.865 620 D CB -0.124 40.533 40.800 -0.239 0.000 0.939 620 D HN 0.478 nan 8.370 nan 0.000 0.510 621 H N -0.587 118.519 119.070 0.060 0.000 2.947 621 H HA 0.505 5.061 4.556 0.000 0.000 0.354 621 H C -1.074 174.260 175.328 0.009 0.000 1.085 621 H CA -0.733 55.328 56.048 0.022 0.000 1.253 621 H CB 1.649 31.434 29.762 0.038 0.000 1.757 621 H HN -0.013 nan 8.280 nan 0.000 0.523 622 N N 1.874 120.631 118.700 0.095 0.000 2.554 622 N HA 0.023 4.763 4.740 0.000 0.000 0.271 622 N C -0.550 175.001 175.510 0.069 0.000 1.081 622 N CA -0.265 52.828 53.050 0.071 0.000 0.994 622 N CB 1.835 40.347 38.487 0.043 0.000 1.641 622 N HN 0.445 nan 8.380 nan 0.000 0.511 623 D N 1.682 122.129 120.400 0.078 0.000 2.213 623 D HA 0.035 4.675 4.640 0.000 0.000 0.205 623 D C 1.579 177.943 176.300 0.107 0.000 0.961 623 D CA 0.668 54.713 54.000 0.075 0.000 0.853 623 D CB 0.464 41.300 40.800 0.060 0.000 0.967 623 D HN 0.547 nan 8.370 nan 0.000 0.496 624 R N 0.269 120.855 120.500 0.144 0.000 2.064 624 R HA -0.011 4.329 4.340 0.000 0.000 0.228 624 R C 0.057 176.603 176.300 0.410 0.000 1.144 624 R CA 0.917 57.164 56.100 0.246 0.000 0.932 624 R CB 0.143 30.578 30.300 0.225 0.000 0.833 624 R HN -0.074 nan 8.270 nan 0.000 0.429 625 V N 3.149 123.251 119.914 0.313 0.000 2.349 625 V HA 0.180 4.300 4.120 0.000 0.000 0.284 625 V C -0.215 175.989 176.094 0.184 0.000 1.014 625 V CA -0.887 61.623 62.300 0.350 0.000 0.826 625 V CB 1.263 33.184 31.823 0.163 0.000 1.009 625 V HN 0.193 nan 8.190 nan 0.000 0.431 626 V N 3.949 123.969 119.914 0.176 0.000 2.763 626 V HA 0.201 4.321 4.120 0.000 0.000 0.306 626 V C -1.381 174.591 176.094 -0.205 0.000 1.059 626 V CA -0.715 61.543 62.300 -0.070 0.000 1.138 626 V CB 0.472 32.142 31.823 -0.256 0.000 0.940 626 V HN 0.610 nan 8.190 nan 0.000 0.489 627 P HA -0.099 nan 4.420 nan 0.000 0.219 627 P C 1.728 178.429 177.300 -0.999 0.000 1.146 627 P CA 1.963 64.563 63.100 -0.833 0.000 0.808 627 P CB 0.021 30.950 31.700 -1.284 0.000 0.779 628 A N -0.233 122.106 122.820 -0.802 0.000 1.940 628 A HA -0.320 4.000 4.320 0.000 0.000 0.221 628 A C 2.126 179.441 177.584 -0.448 0.000 1.190 628 A CA 1.929 53.564 52.037 -0.670 0.000 0.647 628 A CB -1.744 16.708 19.000 -0.913 0.000 0.821 628 A HN 0.269 nan 8.150 nan 0.000 0.457 629 H N -0.567 118.342 119.070 -0.269 0.000 2.290 629 H HA -0.081 4.475 4.556 0.000 0.000 0.298 629 H C 2.660 177.963 175.328 -0.042 0.000 1.087 629 H CA 1.827 57.820 56.048 -0.092 0.000 1.291 629 H CB -0.510 29.220 29.762 -0.054 0.000 1.369 629 H HN 0.519 nan 8.280 nan 0.000 0.492 630 S N 0.642 116.379 115.700 0.063 0.000 2.368 630 S HA -0.101 4.369 4.470 0.000 0.000 0.225 630 S C 2.031 176.823 174.600 0.320 0.000 1.030 630 S CA 0.780 59.081 58.200 0.168 0.000 0.999 630 S CB -0.228 63.050 63.200 0.129 0.000 0.844 630 S HN 0.181 nan 8.310 nan 0.000 0.459 631 F N 1.910 121.848 119.950 -0.020 0.000 2.075 631 F HA -0.022 4.505 4.527 0.000 0.000 0.297 631 F C 2.192 177.800 175.800 -0.320 0.000 1.113 631 F CA 0.812 58.719 58.000 -0.155 0.000 1.218 631 F CB -1.130 37.620 39.000 -0.416 0.000 0.984 631 F HN 0.183 nan 8.300 nan 0.000 0.472 632 K N -0.873 119.483 120.400 -0.073 0.000 2.097 632 K HA -0.182 4.138 4.320 0.000 0.000 0.205 632 K C 2.059 178.646 176.600 -0.021 0.000 1.050 632 K CA 1.335 57.545 56.287 -0.129 0.000 0.938 632 K CB -0.564 31.910 32.500 -0.043 0.000 0.718 632 K HN 0.088 nan 8.250 nan 0.000 0.442 633 F N 1.794 121.695 119.950 -0.082 0.000 2.075 633 F HA -0.168 4.359 4.527 0.000 0.000 0.297 633 F C 2.230 177.964 175.800 -0.111 0.000 1.113 633 F CA 1.345 59.294 58.000 -0.084 0.000 1.218 633 F CB -0.585 38.386 39.000 -0.050 0.000 0.984 633 F HN -0.020 nan 8.300 nan 0.000 0.472 634 A N 0.390 123.199 122.820 -0.018 0.000 1.883 634 A HA -0.105 4.215 4.320 0.000 0.000 0.217 634 A C 2.433 179.876 177.584 -0.235 0.000 1.186 634 A CA 2.068 54.020 52.037 -0.141 0.000 0.624 634 A CB -1.634 17.404 19.000 0.062 0.000 0.822 634 A HN 0.506 nan 8.150 nan 0.000 0.444 635 A N -1.056 121.636 122.820 -0.213 0.000 1.940 635 A HA -0.106 4.214 4.320 0.000 0.000 0.219 635 A C 2.298 179.597 177.584 -0.474 0.000 1.176 635 A CA 2.374 54.150 52.037 -0.434 0.000 0.631 635 A CB -1.232 17.164 19.000 -1.008 0.000 0.814 635 A HN 0.458 nan 8.150 nan 0.000 0.446 636 T N 0.298 114.638 114.554 -0.356 0.000 2.777 636 T HA -0.025 4.325 4.350 0.000 0.000 0.266 636 T C 1.806 176.361 174.700 -0.243 0.000 1.040 636 T CA 1.287 63.310 62.100 -0.129 0.000 1.141 636 T CB -0.335 68.497 68.868 -0.060 0.000 0.868 636 T HN 0.358 nan 8.240 nan 0.000 0.444 637 L N 0.824 121.777 121.223 -0.451 0.000 2.083 637 L HA -0.153 4.187 4.340 0.000 0.000 0.209 637 L C 2.913 179.596 176.870 -0.312 0.000 1.083 637 L CA 1.385 55.931 54.840 -0.490 0.000 0.752 637 L CB -0.558 41.108 42.059 -0.654 0.000 0.899 637 L HN 0.339 nan 8.230 nan 0.000 0.433 638 Q N -0.529 119.044 119.800 -0.378 0.000 2.119 638 Q HA -0.155 4.185 4.340 0.000 0.000 0.201 638 Q C 2.389 178.328 176.000 -0.102 0.000 0.972 638 Q CA 1.491 57.017 55.803 -0.462 0.000 0.847 638 Q CB -0.192 28.105 28.738 -0.735 0.000 0.903 638 Q HN 0.560 nan 8.270 nan 0.000 0.433 639 A N 1.067 123.858 122.820 -0.049 0.000 1.970 639 A HA -0.149 4.171 4.320 0.000 0.000 0.216 639 A C 1.333 178.966 177.584 0.081 0.000 1.170 639 A CA 1.491 53.571 52.037 0.071 0.000 0.645 639 A CB -0.007 19.081 19.000 0.146 0.000 0.816 639 A HN 0.189 nan 8.150 nan 0.000 0.447 640 D N -0.676 119.755 120.400 0.051 0.000 2.262 640 D HA 0.015 4.655 4.640 0.000 0.000 0.212 640 D C 0.657 177.046 176.300 0.148 0.000 0.964 640 D CA 0.136 54.193 54.000 0.094 0.000 0.875 640 D CB -0.600 40.255 40.800 0.091 0.000 0.996 640 D HN 0.386 nan 8.370 nan 0.000 0.497 641 N N 0.500 119.296 118.700 0.161 0.000 2.357 641 N HA 0.056 4.796 4.740 0.000 0.000 0.257 641 N C 0.219 175.825 175.510 0.160 0.000 1.250 641 N CA 0.336 53.533 53.050 0.245 0.000 0.862 641 N CB 0.758 39.387 38.487 0.235 0.000 1.066 641 N HN -0.007 nan 8.380 nan 0.000 0.468 642 A N 2.260 125.148 122.820 0.114 0.000 2.469 642 A HA 0.401 4.721 4.320 0.000 0.000 0.245 642 A C 0.873 178.470 177.584 0.022 0.000 1.221 642 A CA 0.211 52.285 52.037 0.061 0.000 0.946 642 A CB -0.253 18.768 19.000 0.036 0.000 1.049 642 A HN 0.673 nan 8.150 nan 0.000 0.529 643 G N 0.021 108.828 108.800 0.012 0.000 2.532 643 G HA2 0.473 4.433 3.960 0.000 0.000 0.291 643 G HA3 0.473 4.433 3.960 0.000 0.000 0.291 643 G C -1.028 173.824 174.900 -0.079 0.000 1.349 643 G CA -0.585 44.467 45.100 -0.080 0.000 1.038 643 G HN 0.048 nan 8.290 nan 0.000 0.518 644 P HA 0.043 nan 4.420 nan 0.000 0.235 644 P C -0.155 177.146 177.300 0.001 0.000 1.177 644 P CA 0.277 63.313 63.100 -0.105 0.000 0.785 644 P CB 0.169 31.790 31.700 -0.131 0.000 0.885 645 H N 2.894 122.024 119.070 0.101 0.000 2.803 645 H HA 0.184 4.740 4.556 0.000 0.000 0.330 645 H C -1.854 173.568 175.328 0.155 0.000 1.057 645 H CA -2.576 53.545 56.048 0.121 0.000 1.458 645 H CB -0.423 29.410 29.762 0.119 0.000 1.470 645 H HN 0.244 nan 8.280 nan 0.000 0.560 646 P HA 0.053 nan 4.420 nan 0.000 0.275 646 P C -0.504 176.928 177.300 0.219 0.000 1.227 646 P CA -0.517 62.709 63.100 0.209 0.000 0.781 646 P CB 1.111 32.766 31.700 -0.075 0.000 0.906 647 Q N 3.079 123.000 119.800 0.202 0.000 2.462 647 Q HA 0.453 4.793 4.340 0.000 0.000 0.247 647 Q C -0.219 175.686 176.000 -0.158 0.000 1.044 647 Q CA -0.306 55.473 55.803 -0.039 0.000 0.803 647 Q CB 1.189 29.804 28.738 -0.206 0.000 1.190 647 Q HN 0.515 nan 8.270 nan 0.000 0.507 648 L N 1.850 122.990 121.223 -0.139 0.000 2.313 648 L HA 0.679 5.019 4.340 0.000 0.000 0.268 648 L C -0.130 176.617 176.870 -0.205 0.000 1.010 648 L CA -1.108 53.610 54.840 -0.204 0.000 0.814 648 L CB 2.009 43.900 42.059 -0.280 0.000 1.304 648 L HN 0.422 nan 8.230 nan 0.000 0.441 649 I N 1.458 121.905 120.570 -0.205 0.000 2.499 649 I HA 0.403 4.573 4.170 0.000 0.000 0.288 649 I C -0.959 175.061 176.117 -0.161 0.000 1.048 649 I CA -0.534 60.680 61.300 -0.144 0.000 1.062 649 I CB 1.871 39.820 38.000 -0.085 0.000 1.238 649 I HN 0.653 nan 8.210 nan 0.000 0.426 650 R N 7.735 128.164 120.500 -0.117 0.000 2.246 650 R HA 0.558 4.898 4.340 0.000 0.000 0.332 650 R C -1.735 174.539 176.300 -0.043 0.000 0.974 650 R CA -0.614 55.423 56.100 -0.105 0.000 0.837 650 R CB 0.905 31.136 30.300 -0.115 0.000 1.145 650 R HN 0.559 nan 8.270 nan 0.000 0.467 651 I N 3.713 124.258 120.570 -0.041 0.000 2.312 651 I HA 0.188 4.358 4.170 0.000 0.000 0.290 651 I C 0.229 176.347 176.117 0.003 0.000 1.008 651 I CA -0.366 60.948 61.300 0.022 0.000 1.226 651 I CB 1.501 39.527 38.000 0.044 0.000 1.371 651 I HN 0.352 nan 8.210 nan 0.000 0.468 652 E N 4.808 125.017 120.200 0.014 0.000 2.344 652 E HA 0.235 4.585 4.350 0.000 0.000 0.270 652 E C -0.001 176.611 176.600 0.020 0.000 1.021 652 E CA 0.001 56.405 56.400 0.007 0.000 0.887 652 E CB 1.110 30.814 29.700 0.007 0.000 0.997 652 E HN 0.678 nan 8.360 nan 0.000 0.429 653 T N 1.234 115.799 114.554 0.018 0.000 2.952 653 T HA 0.445 4.795 4.350 0.000 0.000 0.286 653 T C 0.319 175.048 174.700 0.048 0.000 1.024 653 T CA -0.868 61.255 62.100 0.040 0.000 1.029 653 T CB 1.285 70.173 68.868 0.034 0.000 1.094 653 T HN 0.487 nan 8.240 nan 0.000 0.515 663 V N -0.177 119.691 119.914 -0.077 0.000 2.515 663 V HA -0.106 4.014 4.120 0.000 0.000 0.250 663 V C 1.890 177.758 176.094 -0.377 0.000 1.058 663 V CA 2.067 64.240 62.300 -0.210 0.000 1.064 663 V CB -1.293 30.430 31.823 -0.166 0.000 0.675 663 V HN 0.653 nan 8.190 nan 0.000 0.461 664 A N 0.862 123.543 122.820 -0.232 0.000 1.865 664 A HA -0.231 4.089 4.320 0.000 0.000 0.217 664 A C 2.356 179.813 177.584 -0.211 0.000 1.191 664 A CA 2.449 54.358 52.037 -0.213 0.000 0.623 664 A CB -0.674 18.255 19.000 -0.119 0.000 0.826 664 A HN 0.604 nan 8.150 nan 0.000 0.444 665 K N -0.556 119.753 120.400 -0.152 0.000 2.097 665 K HA -0.030 4.290 4.320 0.000 0.000 0.206 665 K C 1.918 178.429 176.600 -0.149 0.000 1.049 665 K CA 1.305 57.521 56.287 -0.118 0.000 0.933 665 K CB -0.373 32.087 32.500 -0.067 0.000 0.717 665 K HN 0.482 nan 8.250 nan 0.000 0.442 666 L N 0.788 121.895 121.223 -0.194 0.000 2.046 666 L HA -0.194 4.146 4.340 0.000 0.000 0.208 666 L C 2.352 179.017 176.870 -0.341 0.000 1.077 666 L CA 1.160 55.888 54.840 -0.187 0.000 0.747 666 L CB -0.433 41.565 42.059 -0.102 0.000 0.896 666 L HN 0.182 nan 8.230 nan 0.000 0.432 667 I N -0.286 119.893 120.570 -0.651 0.000 2.179 667 I HA -0.292 3.878 4.170 0.000 0.000 0.242 667 I C 2.601 178.583 176.117 -0.225 0.000 1.088 667 I CA 1.223 62.152 61.300 -0.618 0.000 1.357 667 I CB -0.246 37.380 38.000 -0.623 0.000 1.051 667 I HN 0.256 nan 8.210 nan 0.000 0.409 668 E N 0.948 121.037 120.200 -0.185 0.000 2.085 668 E HA -0.295 4.055 4.350 0.000 0.000 0.194 668 E C 2.113 178.671 176.600 -0.070 0.000 0.994 668 E CA 1.557 57.900 56.400 -0.095 0.000 0.801 668 E CB -0.171 29.476 29.700 -0.088 0.000 0.743 668 E HN 0.422 nan 8.360 nan 0.000 0.453 669 Q N -0.612 119.136 119.800 -0.087 0.000 2.046 669 Q HA -0.124 4.216 4.340 0.000 0.000 0.200 669 Q C 2.222 178.163 176.000 -0.099 0.000 0.975 669 Q CA 1.729 57.486 55.803 -0.076 0.000 0.836 669 Q CB -0.168 28.530 28.738 -0.066 0.000 0.896 669 Q HN 0.201 nan 8.270 nan 0.000 0.428 670 S N 0.162 115.806 115.700 -0.094 0.000 2.368 670 S HA -0.169 4.301 4.470 0.000 0.000 0.225 670 S C 1.897 176.411 174.600 -0.144 0.000 1.030 670 S CA 1.011 59.101 58.200 -0.183 0.000 0.999 670 S CB -0.360 62.876 63.200 0.059 0.000 0.844 670 S HN 0.579 nan 8.310 nan 0.000 0.459 671 A N 1.957 124.802 122.820 0.043 0.000 1.883 671 A HA -0.178 4.142 4.320 0.000 0.000 0.217 671 A C 1.823 179.486 177.584 0.132 0.000 1.186 671 A CA 1.925 54.051 52.037 0.149 0.000 0.624 671 A CB -0.858 18.210 19.000 0.114 0.000 0.822 671 A HN 0.383 nan 8.150 nan 0.000 0.444 672 D N -0.030 120.402 120.400 0.054 0.000 2.123 672 D HA -0.129 4.511 4.640 0.000 0.000 0.196 672 D C 1.829 178.203 176.300 0.123 0.000 0.992 672 D CA 1.206 55.249 54.000 0.071 0.000 0.833 672 D CB -0.345 40.455 40.800 -0.000 0.000 0.954 672 D HN 0.541 nan 8.370 nan 0.000 0.455 673 I N -0.109 120.466 120.570 0.008 0.000 2.202 673 I HA -0.275 3.895 4.170 0.000 0.000 0.242 673 I C 2.063 178.281 176.117 0.169 0.000 1.091 673 I CA 0.866 62.179 61.300 0.022 0.000 1.368 673 I CB -0.159 37.709 38.000 -0.219 0.000 1.058 673 I HN -0.007 nan 8.210 nan 0.000 0.410 674 Y N 0.815 121.239 120.300 0.206 0.000 2.163 674 Y HA -0.113 4.437 4.550 0.000 0.000 0.288 674 Y C 2.673 178.798 175.900 0.375 0.000 1.136 674 Y CA 0.658 58.925 58.100 0.278 0.000 1.147 674 Y CB -1.297 37.357 38.460 0.324 0.000 0.987 674 Y HN 0.091 nan 8.280 nan 0.000 0.509 675 A N 0.024 123.150 122.820 0.510 0.000 1.865 675 A HA -0.254 4.066 4.320 0.000 0.000 0.217 675 A C 2.202 180.093 177.584 0.511 0.000 1.191 675 A CA 1.790 54.129 52.037 0.504 0.000 0.623 675 A CB -1.448 17.741 19.000 0.314 0.000 0.826 675 A HN 0.435 nan 8.150 nan 0.000 0.444 676 F N 1.342 121.472 119.950 0.300 0.000 2.095 676 F HA -0.168 4.359 4.527 0.000 0.000 0.298 676 F C 2.486 178.506 175.800 0.367 0.000 1.104 676 F CA 2.387 60.581 58.000 0.323 0.000 1.232 676 F CB -0.829 38.304 39.000 0.221 0.000 0.987 676 F HN 0.209 nan 8.300 nan 0.000 0.475 677 T N 1.607 116.336 114.554 0.291 0.000 2.720 677 T HA -0.183 4.167 4.350 0.000 0.000 0.268 677 T C 2.173 177.017 174.700 0.240 0.000 1.037 677 T CA 1.824 64.029 62.100 0.175 0.000 1.144 677 T CB -0.494 68.544 68.868 0.283 0.000 0.864 677 T HN 0.245 nan 8.240 nan 0.000 0.444 678 L N -0.654 120.802 121.223 0.390 0.000 2.072 678 L HA -0.039 4.301 4.340 0.000 0.000 0.205 678 L C 2.379 179.539 176.870 0.484 0.000 1.079 678 L CA 1.363 56.440 54.840 0.395 0.000 0.752 678 L CB -0.545 41.674 42.059 0.267 0.000 0.906 678 L HN 0.245 nan 8.230 nan 0.000 0.436 679 Y N 1.138 121.657 120.300 0.365 0.000 2.274 679 Y HA -0.226 4.324 4.550 0.000 0.000 0.290 679 Y C 2.481 178.452 175.900 0.118 0.000 1.145 679 Y CA 1.419 59.682 58.100 0.271 0.000 1.203 679 Y CB 0.039 38.589 38.460 0.150 0.000 0.984 679 Y HN 0.146 nan 8.280 nan 0.000 0.533 680 E N -0.451 119.737 120.200 -0.020 0.000 2.358 680 E HA -0.059 4.291 4.350 0.000 0.000 0.195 680 E C 1.648 178.192 176.600 -0.093 0.000 1.010 680 E CA 0.796 57.091 56.400 -0.175 0.000 0.856 680 E CB -0.192 29.256 29.700 -0.420 0.000 0.795 680 E HN 0.608 nan 8.360 nan 0.000 0.504 681 M N -0.927 118.697 119.600 0.039 0.000 2.494 681 M HA 0.139 4.619 4.480 0.000 0.000 0.232 681 M C 1.057 177.333 176.300 -0.039 0.000 1.137 681 M CA 0.589 55.931 55.300 0.069 0.000 1.012 681 M CB 0.622 33.381 32.600 0.266 0.000 1.567 681 M HN 0.201 nan 8.290 nan 0.000 0.486 682 G N -0.331 108.424 108.800 -0.074 0.000 2.234 682 G HA2 -0.268 3.692 3.960 0.000 0.000 0.235 682 G HA3 -0.268 3.692 3.960 0.000 0.000 0.235 682 G C -0.135 174.695 174.900 -0.118 0.000 0.997 682 G CA -0.546 44.460 45.100 -0.156 0.000 0.623 682 G HN 0.434 nan 8.290 nan 0.000 0.514 683 Y N 1.188 121.510 120.300 0.036 0.000 2.721 683 Y HA 0.344 4.894 4.550 0.000 0.000 0.329 683 Y C 1.926 177.974 175.900 0.246 0.000 1.211 683 Y CA 0.894 59.050 58.100 0.093 0.000 1.512 683 Y CB 0.446 38.936 38.460 0.050 0.000 1.249 683 Y HN 0.162 nan 8.280 nan 0.000 0.549 684 R N 2.160 122.863 120.500 0.339 0.000 2.508 684 R HA 0.133 4.473 4.340 0.000 0.000 0.300 684 R C -0.621 175.937 176.300 0.430 0.000 0.970 684 R CA -0.007 56.323 56.100 0.383 0.000 1.102 684 R CB 0.451 30.862 30.300 0.185 0.000 1.246 684 R HN 0.765 nan 8.270 nan 0.000 0.539 685 E N 0.188 120.603 120.200 0.358 0.000 2.375 685 E HA 0.230 4.580 4.350 0.000 0.000 0.280 685 E C -0.884 175.672 176.600 -0.074 0.000 0.972 685 E CA -0.843 55.672 56.400 0.192 0.000 0.782 685 E CB 1.150 30.931 29.700 0.135 0.000 1.229 685 E HN -0.123 nan 8.360 nan 0.000 0.439 686 L N 2.135 123.189 121.223 -0.282 0.000 2.529 686 L HA 0.113 4.453 4.340 0.000 0.000 0.287 686 L C -1.787 174.945 176.870 -0.230 0.000 1.241 686 L CA -1.034 53.549 54.840 -0.428 0.000 0.857 686 L CB -0.369 41.523 42.059 -0.279 0.000 1.113 686 L HN 0.480 nan 8.230 nan 0.000 0.504 687 P HA 0.082 nan 4.420 nan 0.000 0.276 687 P C -0.746 176.503 177.300 -0.085 0.000 1.264 687 P CA -0.069 62.907 63.100 -0.205 0.000 0.815 687 P CB 0.477 31.917 31.700 -0.433 0.000 1.121 688 R N 0.000 120.484 120.500 -0.026 0.000 2.786 688 R HA 0.000 4.340 4.340 0.000 0.000 0.208 688 R CA 0.000 56.088 56.100 -0.020 0.000 0.921 688 R CB 0.000 30.279 30.300 -0.035 0.000 0.687 688 R HN 0.000 nan 8.270 nan 0.000 0.535