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 1f48_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQFLQNIPPY LFFTGKGGVG KTSISCATAI RLAEQGKRVL LVSTDPASNV DATA SEQUENCE GQVFSQTIGN TIQAIASVPG LSALEIDPQA AAQQYRARIV DPIKGVLPDD DATA SEQUENCE VVSSINEQLS GACTTEIAAF DEFTGLLTDA SLLTRFDHII FDTAPTGHTI DATA SEQUENCE RLLQLPGAWS SFIDSNPEGA SCLGPMAGLE KQREQYAYAV EALSDPKRTR DATA SEQUENCE LVLVARLQKS TLQEVARTHL ELAAIGLKNQ YLVINGVLPK TEAANDTLAA DATA SEQUENCE AIWEREQEAL ANLPADLAGL PTDTLFLQPV NMVGVSALSR LLSTQPXXXX DATA SEQUENCE XXXXXXXXRP DIPSLSALVD DIARNEHGLI MLMGKGGVGK TTMAAAIAVR DATA SEQUENCE LADMGFDVHL TTSDPAAHLX XXXXXXXNNL QVSRIDPHEE TERYRQHVLE DATA SEQUENCE TKGKELDEAG KRLLEEDLRS PCTEEIAVFQ AFSRVIREAG KRFVVMDTAP DATA SEQUENCE TGHTLLLLDA TXXXXXXXXX XXXXXXXXXT PMMLLQDPER TKVLLVTLPE DATA SEQUENCE TTPVLEAANL QADLERAGIH PWGWIINNSL SIADTRSPLL RMRAQQELPQ DATA SEQUENCE IESVKRQHAS RVALVPVLAS EPTGIDKLKQ LAGHHH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.256 176.300 -0.074 0.000 1.140 1 M CA 0.000 55.276 55.300 -0.040 0.000 0.988 1 M CB 0.000 32.499 32.600 -0.169 0.000 1.302 2 Q N 1.069 120.928 119.800 0.098 0.000 2.084 2 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 2 Q C 1.497 177.548 176.000 0.085 0.000 0.978 2 Q CA 2.298 58.197 55.803 0.161 0.000 0.844 2 Q CB -0.238 28.683 28.738 0.305 0.000 0.898 2 Q HN 0.722 nan 8.270 nan 0.000 0.426 3 F N -0.934 118.998 119.950 -0.030 0.000 2.451 3 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 3 F C 1.368 176.978 175.800 -0.316 0.000 1.101 3 F CA 0.470 58.236 58.000 -0.390 0.000 1.436 3 F CB -0.048 38.857 39.000 -0.159 0.000 1.074 3 F HN -0.026 nan 8.300 nan 0.000 0.553 4 L N 0.454 121.166 121.223 -0.851 0.000 2.558 4 L HA 0.182 4.522 4.340 -0.000 0.000 0.225 4 L C 0.524 177.184 176.870 -0.350 0.000 1.128 4 L CA 0.453 54.871 54.840 -0.703 0.000 0.868 4 L CB -0.955 40.639 42.059 -0.776 0.000 1.006 4 L HN 0.190 nan 8.230 nan 0.000 0.454 5 Q N -0.067 119.581 119.800 -0.253 0.000 2.243 5 Q HA 0.129 4.469 4.340 -0.000 0.000 0.252 5 Q C 0.212 176.156 176.000 -0.094 0.000 0.909 5 Q CA -0.336 55.389 55.803 -0.130 0.000 0.922 5 Q CB 0.585 29.291 28.738 -0.053 0.000 1.215 5 Q HN 0.054 nan 8.270 nan 0.000 0.427 6 N N 1.277 119.948 118.700 -0.049 0.000 2.716 6 N HA -0.201 4.538 4.740 -0.000 0.000 0.250 6 N C -0.933 174.577 175.510 0.000 0.000 1.033 6 N CA 0.356 53.404 53.050 -0.003 0.000 0.727 6 N CB -1.008 37.491 38.487 0.019 0.000 0.950 6 N HN 0.627 nan 8.380 nan 0.000 0.541 7 I N 0.889 121.439 120.570 -0.033 0.000 2.710 7 I HA 0.069 4.239 4.170 -0.000 0.000 0.286 7 I C -1.129 175.061 176.117 0.123 0.000 1.181 7 I CA -1.026 60.255 61.300 -0.031 0.000 1.430 7 I CB 0.342 38.229 38.000 -0.187 0.000 1.367 7 I HN 0.147 nan 8.210 nan 0.000 0.577 8 P HA 0.215 nan 4.420 nan 0.000 0.282 8 P C -2.231 175.136 177.300 0.111 0.000 1.287 8 P CA -1.344 61.810 63.100 0.089 0.000 0.792 8 P CB -0.029 31.715 31.700 0.073 0.000 1.163 9 P HA -0.123 nan 4.420 nan 0.000 0.218 9 P C -0.136 176.974 177.300 -0.316 0.000 1.148 9 P CA 1.758 64.671 63.100 -0.312 0.000 0.822 9 P CB -0.137 31.207 31.700 -0.592 0.000 0.784 10 Y N -0.311 120.073 120.300 0.141 0.000 2.335 10 Y HA 0.552 5.101 4.550 -0.000 0.000 0.338 10 Y C 0.260 176.236 175.900 0.127 0.000 0.977 10 Y CA -1.361 56.825 58.100 0.143 0.000 1.114 10 Y CB 1.316 39.903 38.460 0.211 0.000 1.182 10 Y HN -0.258 nan 8.280 nan 0.000 0.463 11 L N 4.614 125.951 121.223 0.190 0.000 2.406 11 L HA 0.682 5.022 4.340 -0.000 0.000 0.272 11 L C -2.005 174.884 176.870 0.032 0.000 0.980 11 L CA -0.863 54.032 54.840 0.092 0.000 0.831 11 L CB 0.751 42.834 42.059 0.039 0.000 1.253 11 L HN 0.448 nan 8.230 nan 0.000 0.406 12 F N 4.699 124.616 119.950 -0.054 0.000 2.520 12 F HA 0.595 5.122 4.527 -0.000 0.000 0.322 12 F C -0.688 174.979 175.800 -0.222 0.000 1.103 12 F CA -0.285 57.696 58.000 -0.032 0.000 0.926 12 F CB 1.780 40.681 39.000 -0.165 0.000 1.154 12 F HN 0.236 nan 8.300 nan 0.000 0.453 13 F N 1.203 121.300 119.950 0.245 0.000 2.444 13 F HA 0.558 5.085 4.527 -0.000 0.000 0.342 13 F C 0.324 176.198 175.800 0.125 0.000 1.121 13 F CA -0.615 57.463 58.000 0.130 0.000 0.997 13 F CB 2.107 41.153 39.000 0.076 0.000 1.130 13 F HN 0.278 nan 8.300 nan 0.000 0.454 14 T N 1.555 116.234 114.554 0.208 0.000 2.916 14 T HA 0.872 5.222 4.350 -0.000 0.000 0.292 14 T C -0.527 174.238 174.700 0.109 0.000 1.055 14 T CA -0.267 61.918 62.100 0.142 0.000 1.009 14 T CB 1.587 70.501 68.868 0.077 0.000 1.118 14 T HN 1.077 nan 8.240 nan 0.000 0.497 15 G N 2.331 111.181 108.800 0.084 0.000 2.345 15 G HA2 0.285 4.245 3.960 -0.000 0.000 0.310 15 G HA3 0.285 4.245 3.960 -0.000 0.000 0.310 15 G C -1.055 173.874 174.900 0.048 0.000 1.476 15 G CA -0.516 44.618 45.100 0.057 0.000 0.978 15 G HN 0.883 nan 8.290 nan 0.000 0.656 16 K N 0.022 120.439 120.400 0.029 0.000 2.286 16 K HA 0.484 4.804 4.320 -0.000 0.000 0.256 16 K C 0.845 177.456 176.600 0.019 0.000 0.999 16 K CA 0.268 56.566 56.287 0.019 0.000 0.908 16 K CB 0.342 32.846 32.500 0.006 0.000 0.981 16 K HN 1.352 nan 8.250 nan 0.000 0.500 17 G N -0.256 108.552 108.800 0.013 0.000 2.265 17 G HA2 0.292 4.252 3.960 -0.000 0.000 0.240 17 G HA3 0.292 4.252 3.960 -0.000 0.000 0.240 17 G C 0.982 175.886 174.900 0.007 0.000 1.270 17 G CA 0.025 45.132 45.100 0.011 0.000 0.901 17 G HN 1.168 nan 8.290 nan 0.000 0.507 18 G N 0.342 109.147 108.800 0.009 0.000 2.234 18 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 18 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 18 G C 1.430 176.330 174.900 0.000 0.000 0.987 18 G CA 0.939 46.042 45.100 0.004 0.000 0.625 18 G HN 2.014 nan 8.290 nan 0.000 0.532 19 V N -1.633 118.282 119.914 0.002 0.000 3.078 19 V HA 0.440 4.560 4.120 -0.000 0.000 0.265 19 V C 1.948 178.033 176.094 -0.015 0.000 1.122 19 V CA 1.954 64.252 62.300 -0.003 0.000 1.141 19 V CB -0.479 31.346 31.823 0.003 0.000 0.735 19 V HN 2.353 nan 8.190 nan 0.000 0.498 20 G N -0.322 108.465 108.800 -0.022 0.000 2.148 20 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.157 20 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.157 20 G C 0.529 175.372 174.900 -0.094 0.000 1.012 20 G CA 0.234 45.303 45.100 -0.052 0.000 0.677 20 G HN 0.466 nan 8.290 nan 0.000 0.506 21 K N -0.104 120.261 120.400 -0.059 0.000 1.987 21 K HA -0.110 4.210 4.320 -0.000 0.000 0.216 21 K C 2.595 179.066 176.600 -0.215 0.000 1.051 21 K CA 2.123 58.355 56.287 -0.090 0.000 0.942 21 K CB -0.435 32.098 32.500 0.055 0.000 0.722 21 K HN 0.312 nan 8.250 nan 0.000 0.444 22 T N 1.040 115.530 114.554 -0.107 0.000 2.684 22 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 22 T C 2.182 176.790 174.700 -0.154 0.000 1.036 22 T CA 1.708 63.745 62.100 -0.105 0.000 1.148 22 T CB -0.298 68.544 68.868 -0.043 0.000 0.863 22 T HN 0.161 nan 8.240 nan 0.000 0.436 23 S N 1.200 116.815 115.700 -0.140 0.000 2.353 23 S HA -0.053 4.417 4.470 -0.000 0.000 0.222 23 S C 2.066 176.563 174.600 -0.171 0.000 1.035 23 S CA 1.165 59.284 58.200 -0.135 0.000 1.025 23 S CB -0.506 62.636 63.200 -0.097 0.000 0.902 23 S HN 0.440 nan 8.310 nan 0.000 0.440 24 I N 1.148 121.565 120.570 -0.255 0.000 2.361 24 I HA -0.149 4.021 4.170 -0.000 0.000 0.251 24 I C 2.352 178.180 176.117 -0.482 0.000 1.133 24 I CA 0.792 61.893 61.300 -0.331 0.000 1.413 24 I CB -0.384 37.354 38.000 -0.436 0.000 1.073 24 I HN 0.212 nan 8.210 nan 0.000 0.424 25 S N -0.047 115.271 115.700 -0.637 0.000 2.368 25 S HA -0.150 4.319 4.470 -0.000 0.000 0.224 25 S C 2.188 176.725 174.600 -0.105 0.000 1.029 25 S CA 1.199 59.128 58.200 -0.452 0.000 0.988 25 S CB -0.261 62.764 63.200 -0.292 0.000 0.838 25 S HN 0.485 nan 8.310 nan 0.000 0.462 26 C N 1.625 120.885 119.300 -0.067 0.000 2.462 26 C HA 0.035 4.495 4.460 -0.000 0.000 0.278 26 C C 3.073 178.117 174.990 0.090 0.000 1.253 26 C CA 0.559 59.622 59.018 0.075 0.000 1.713 26 C CB -1.461 26.247 27.740 -0.052 0.000 2.049 26 C HN 0.667 nan 8.230 nan 0.000 0.477 27 A N 0.074 122.901 122.820 0.010 0.000 1.940 27 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 27 A C 2.166 179.787 177.584 0.062 0.000 1.176 27 A CA 2.609 54.668 52.037 0.037 0.000 0.631 27 A CB -1.097 17.917 19.000 0.023 0.000 0.814 27 A HN 0.594 nan 8.150 nan 0.000 0.446 28 T N 0.183 114.781 114.554 0.073 0.000 2.674 28 T HA -0.010 4.339 4.350 -0.000 0.000 0.265 28 T C 2.289 177.022 174.700 0.055 0.000 1.039 28 T CA 1.689 63.849 62.100 0.099 0.000 1.150 28 T CB -0.560 68.451 68.868 0.237 0.000 0.864 28 T HN 0.626 nan 8.240 nan 0.000 0.427 29 A N 1.158 124.021 122.820 0.071 0.000 1.917 29 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 29 A C 2.290 179.907 177.584 0.054 0.000 1.182 29 A CA 1.579 53.649 52.037 0.055 0.000 0.633 29 A CB -0.938 18.101 19.000 0.065 0.000 0.819 29 A HN 0.546 nan 8.150 nan 0.000 0.448 30 I N -1.372 119.253 120.570 0.092 0.000 2.142 30 I HA -0.265 3.905 4.170 -0.000 0.000 0.240 30 I C 2.667 178.810 176.117 0.043 0.000 1.078 30 I CA 1.776 63.127 61.300 0.086 0.000 1.343 30 I CB -0.299 37.777 38.000 0.127 0.000 1.046 30 I HN 0.308 nan 8.210 nan 0.000 0.405 31 R N 1.418 121.935 120.500 0.029 0.000 2.103 31 R HA -0.179 4.161 4.340 -0.000 0.000 0.242 31 R C 2.053 178.346 176.300 -0.013 0.000 1.142 31 R CA 1.831 57.931 56.100 -0.001 0.000 0.960 31 R CB -0.737 29.546 30.300 -0.028 0.000 0.858 31 R HN 0.337 nan 8.270 nan 0.000 0.439 32 L N -0.759 120.453 121.223 -0.018 0.000 2.072 32 L HA 0.005 4.345 4.340 -0.000 0.000 0.205 32 L C 2.491 179.379 176.870 0.030 0.000 1.079 32 L CA 1.170 56.001 54.840 -0.015 0.000 0.752 32 L CB -0.681 41.347 42.059 -0.051 0.000 0.906 32 L HN 0.332 nan 8.230 nan 0.000 0.436 33 A N 0.072 122.912 122.820 0.033 0.000 1.933 33 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 33 A C 2.066 179.663 177.584 0.023 0.000 1.175 33 A CA 1.572 53.629 52.037 0.033 0.000 0.628 33 A CB -0.428 18.583 19.000 0.019 0.000 0.814 33 A HN 0.458 nan 8.150 nan 0.000 0.444 34 E N -0.398 119.813 120.200 0.019 0.000 2.418 34 E HA -0.115 4.235 4.350 -0.000 0.000 0.197 34 E C 1.161 177.767 176.600 0.010 0.000 1.026 34 E CA 0.577 56.985 56.400 0.014 0.000 0.862 34 E CB -0.053 29.656 29.700 0.015 0.000 0.799 34 E HN 0.731 nan 8.360 nan 0.000 0.518 35 Q N -0.445 119.362 119.800 0.011 0.000 2.222 35 Q HA 0.142 4.482 4.340 -0.000 0.000 0.206 35 Q C 0.615 176.625 176.000 0.016 0.000 0.877 35 Q CA 0.228 56.037 55.803 0.010 0.000 0.958 35 Q CB 0.985 29.727 28.738 0.006 0.000 1.075 35 Q HN 0.326 nan 8.270 nan 0.000 0.483 36 G N 1.337 110.147 108.800 0.016 0.000 2.143 36 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.248 36 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.248 36 G C -0.074 174.838 174.900 0.019 0.000 0.991 36 G CA -0.090 45.017 45.100 0.012 0.000 0.689 36 G HN 0.055 nan 8.290 nan 0.000 0.522 37 K N 0.094 120.520 120.400 0.045 0.000 2.098 37 K HA 0.466 4.786 4.320 -0.000 0.000 0.261 37 K C 0.681 177.325 176.600 0.073 0.000 0.987 37 K CA -0.654 55.678 56.287 0.074 0.000 0.916 37 K CB 0.948 33.550 32.500 0.170 0.000 1.039 37 K HN 0.363 nan 8.250 nan 0.000 0.455 38 R N 1.045 121.584 120.500 0.065 0.000 2.196 38 R HA 0.319 4.659 4.340 -0.000 0.000 0.340 38 R C -0.368 176.088 176.300 0.260 0.000 1.043 38 R CA -0.501 55.653 56.100 0.089 0.000 0.883 38 R CB 0.651 30.917 30.300 -0.057 0.000 1.078 38 R HN 0.178 nan 8.270 nan 0.000 0.462 39 V N 4.628 124.707 119.914 0.275 0.000 2.628 39 V HA 0.386 4.506 4.120 -0.000 0.000 0.306 39 V C -0.239 175.881 176.094 0.043 0.000 1.045 39 V CA -0.919 61.505 62.300 0.207 0.000 0.905 39 V CB 2.181 34.063 31.823 0.098 0.000 0.997 39 V HN 0.617 nan 8.190 nan 0.000 0.436 40 L N 5.036 126.085 121.223 -0.289 0.000 2.325 40 L HA 0.603 4.943 4.340 -0.000 0.000 0.281 40 L C -1.243 175.389 176.870 -0.395 0.000 1.004 40 L CA -0.735 53.702 54.840 -0.670 0.000 0.823 40 L CB 1.562 42.823 42.059 -1.329 0.000 1.236 40 L HN 0.622 nan 8.230 nan 0.000 0.415 41 L N 6.434 127.477 121.223 -0.300 0.000 2.280 41 L HA 0.436 4.776 4.340 -0.000 0.000 0.287 41 L C -0.847 175.878 176.870 -0.242 0.000 1.023 41 L CA -0.198 54.512 54.840 -0.216 0.000 0.819 41 L CB 1.614 43.614 42.059 -0.098 0.000 1.212 41 L HN 0.301 nan 8.230 nan 0.000 0.420 42 V N 4.237 123.955 119.914 -0.327 0.000 2.348 42 V HA 0.353 4.473 4.120 -0.000 0.000 0.270 42 V C 0.530 176.573 176.094 -0.085 0.000 1.037 42 V CA -0.384 61.752 62.300 -0.275 0.000 0.872 42 V CB 0.971 32.480 31.823 -0.523 0.000 1.002 42 V HN 0.850 nan 8.190 nan 0.000 0.464 43 S N 3.484 119.167 115.700 -0.029 0.000 2.474 43 S HA 0.274 4.744 4.470 -0.000 0.000 0.276 43 S C 1.093 175.724 174.600 0.052 0.000 1.227 43 S CA 0.167 58.384 58.200 0.029 0.000 1.050 43 S CB 0.758 63.975 63.200 0.028 0.000 0.939 43 S HN 1.031 nan 8.310 nan 0.000 0.490 44 T N 0.812 115.425 114.554 0.098 0.000 3.040 44 T HA 0.267 4.616 4.350 -0.000 0.000 0.266 44 T C -0.155 174.583 174.700 0.064 0.000 1.005 44 T CA -0.450 61.705 62.100 0.093 0.000 0.906 44 T CB -0.056 68.933 68.868 0.203 0.000 1.082 44 T HN 0.454 nan 8.240 nan 0.000 0.531 45 D N 3.531 123.968 120.400 0.061 0.000 2.339 45 D HA 0.227 4.867 4.640 -0.000 0.000 0.245 45 D C -1.150 175.167 176.300 0.028 0.000 1.115 45 D CA -2.051 51.977 54.000 0.046 0.000 0.917 45 D CB 1.599 42.425 40.800 0.044 0.000 1.192 45 D HN 0.080 nan 8.370 nan 0.000 0.428 46 P HA -0.120 nan 4.420 nan 0.000 0.216 46 P C 0.026 177.337 177.300 0.019 0.000 1.150 46 P CA 1.141 64.250 63.100 0.015 0.000 0.837 46 P CB 0.365 32.072 31.700 0.012 0.000 0.786 47 A N -0.424 122.410 122.820 0.023 0.000 3.201 47 A HA 0.343 4.663 4.320 -0.000 0.000 0.312 47 A C 0.368 177.967 177.584 0.025 0.000 1.011 47 A CA -0.379 51.673 52.037 0.026 0.000 0.987 47 A CB -0.455 18.564 19.000 0.031 0.000 1.060 47 A HN 0.049 nan 8.150 nan 0.000 0.505 48 S N 1.437 117.151 115.700 0.024 0.000 2.810 48 S HA -0.075 4.395 4.470 -0.000 0.000 0.329 48 S C 1.181 175.795 174.600 0.023 0.000 1.231 48 S CA 1.054 59.269 58.200 0.025 0.000 1.042 48 S CB 0.025 63.240 63.200 0.026 0.000 0.756 48 S HN 0.852 nan 8.310 nan 0.000 0.504 49 N N 4.396 123.107 118.700 0.019 0.000 2.170 49 N HA 0.025 4.765 4.740 -0.000 0.000 0.222 49 N C 0.927 176.440 175.510 0.005 0.000 1.218 49 N CA 0.013 53.069 53.050 0.010 0.000 0.889 49 N CB -0.230 38.258 38.487 0.001 0.000 1.083 49 N HN 0.390 nan 8.380 nan 0.000 0.520 50 V N 0.730 120.660 119.914 0.026 0.000 2.407 50 V HA -0.073 4.047 4.120 -0.000 0.000 0.248 50 V C 2.599 178.762 176.094 0.115 0.000 1.055 50 V CA 2.205 64.538 62.300 0.055 0.000 1.049 50 V CB -1.046 30.838 31.823 0.102 0.000 0.662 50 V HN 0.511 nan 8.190 nan 0.000 0.455 51 G N -1.185 107.675 108.800 0.099 0.000 2.446 51 G HA2 -0.361 3.598 3.960 -0.000 0.000 0.217 51 G HA3 -0.361 3.598 3.960 -0.000 0.000 0.217 51 G C 1.506 176.461 174.900 0.092 0.000 1.168 51 G CA 1.068 46.237 45.100 0.116 0.000 0.771 51 G HN 0.518 nan 8.290 nan 0.000 0.551 52 Q N 0.147 119.968 119.800 0.035 0.000 2.077 52 Q HA -0.162 4.178 4.340 -0.000 0.000 0.206 52 Q C 2.778 178.752 176.000 -0.043 0.000 0.989 52 Q CA 2.438 58.242 55.803 0.002 0.000 0.853 52 Q CB -0.322 28.410 28.738 -0.010 0.000 0.907 52 Q HN 0.511 nan 8.270 nan 0.000 0.418 53 V N -1.917 117.922 119.914 -0.124 0.000 2.867 53 V HA -0.143 3.977 4.120 -0.000 0.000 0.260 53 V C 1.136 176.966 176.094 -0.439 0.000 1.099 53 V CA 1.486 63.602 62.300 -0.307 0.000 1.122 53 V CB -0.568 30.983 31.823 -0.452 0.000 0.708 53 V HN 0.302 nan 8.190 nan 0.000 0.490 54 F N 0.636 120.582 119.950 -0.007 0.000 2.661 54 F HA 0.516 5.042 4.527 -0.000 0.000 0.306 54 F C 1.418 177.217 175.800 -0.003 0.000 1.094 54 F CA -0.143 57.853 58.000 -0.005 0.000 1.254 54 F CB -0.236 38.759 39.000 -0.007 0.000 1.040 54 F HN 0.160 nan 8.300 nan 0.000 0.562 55 S N 1.658 117.427 115.700 0.116 0.000 3.631 55 S HA -0.240 4.230 4.470 -0.000 0.000 0.366 55 S C -0.040 174.609 174.600 0.083 0.000 0.993 55 S CA 1.059 59.305 58.200 0.076 0.000 1.167 55 S CB -1.680 61.555 63.200 0.058 0.000 0.909 55 S HN 0.785 nan 8.310 nan 0.000 0.478 56 Q N -1.426 118.430 119.800 0.093 0.000 2.633 56 Q HA 0.599 4.939 4.340 -0.000 0.000 0.289 56 Q C -0.603 175.433 176.000 0.060 0.000 0.940 56 Q CA -0.764 55.079 55.803 0.067 0.000 0.785 56 Q CB 0.971 29.747 28.738 0.063 0.000 1.467 56 Q HN 0.336 nan 8.270 nan 0.000 0.401 57 T N 0.114 114.691 114.554 0.039 0.000 2.889 57 T HA 0.674 5.024 4.350 -0.000 0.000 0.291 57 T C 0.389 175.105 174.700 0.028 0.000 0.995 57 T CA -0.533 61.587 62.100 0.033 0.000 1.092 57 T CB 0.344 69.226 68.868 0.023 0.000 0.954 57 T HN 0.658 nan 8.240 nan 0.000 0.506 58 I N -0.723 119.863 120.570 0.027 0.000 2.892 58 I HA 0.962 5.132 4.170 -0.000 0.000 0.306 58 I C 0.067 176.192 176.117 0.012 0.000 1.078 58 I CA -1.265 60.044 61.300 0.016 0.000 1.032 58 I CB 2.025 40.038 38.000 0.021 0.000 1.229 58 I HN 0.882 nan 8.210 nan 0.000 0.435 59 G N 1.899 110.702 108.800 0.005 0.000 3.058 59 G HA2 0.224 4.184 3.960 -0.000 0.000 0.282 59 G HA3 0.224 4.184 3.960 -0.000 0.000 0.282 59 G C -0.383 174.518 174.900 0.000 0.000 1.248 59 G CA -0.433 44.670 45.100 0.005 0.000 0.822 59 G HN 0.751 nan 8.290 nan 0.000 0.579 60 N N -0.122 118.580 118.700 0.004 0.000 2.434 60 N HA 0.110 4.850 4.740 -0.000 0.000 0.196 60 N C 0.069 175.581 175.510 0.004 0.000 1.183 60 N CA 0.187 53.239 53.050 0.003 0.000 0.849 60 N CB 0.537 39.029 38.487 0.008 0.000 0.992 60 N HN 0.201 nan 8.380 nan 0.000 0.460 61 T N 1.105 115.661 114.554 0.003 0.000 2.863 61 T HA 0.460 4.810 4.350 -0.000 0.000 0.285 61 T C 0.205 174.905 174.700 0.001 0.000 1.009 61 T CA -0.641 61.464 62.100 0.007 0.000 0.989 61 T CB 1.660 70.534 68.868 0.011 0.000 1.004 61 T HN -0.001 nan 8.240 nan 0.000 0.455 62 I N 3.729 124.305 120.570 0.009 0.000 2.517 62 I HA 0.176 4.345 4.170 -0.000 0.000 0.285 62 I C 0.462 176.591 176.117 0.021 0.000 1.106 62 I CA 0.197 61.502 61.300 0.008 0.000 1.402 62 I CB 0.368 38.398 38.000 0.049 0.000 1.399 62 I HN 0.411 nan 8.210 nan 0.000 0.535 63 Q N 5.192 124.993 119.800 0.001 0.000 2.356 63 Q HA 0.625 4.965 4.340 -0.000 0.000 0.270 63 Q C -0.614 175.378 176.000 -0.014 0.000 1.058 63 Q CA -0.904 54.899 55.803 -0.000 0.000 0.802 63 Q CB 2.613 31.346 28.738 -0.008 0.000 1.303 63 Q HN 0.776 nan 8.270 nan 0.000 0.444 64 A N 2.751 125.568 122.820 -0.005 0.000 2.386 64 A HA 0.370 4.690 4.320 -0.000 0.000 0.248 64 A C -0.239 177.306 177.584 -0.065 0.000 1.082 64 A CA -0.149 51.876 52.037 -0.021 0.000 0.789 64 A CB 0.191 19.187 19.000 -0.008 0.000 1.025 64 A HN 0.739 nan 8.150 nan 0.000 0.490 65 I N 2.418 122.916 120.570 -0.120 0.000 2.307 65 I HA 0.228 4.398 4.170 -0.000 0.000 0.289 65 I C 1.488 177.538 176.117 -0.111 0.000 1.021 65 I CA -0.240 60.956 61.300 -0.174 0.000 1.224 65 I CB 1.336 39.090 38.000 -0.410 0.000 1.376 65 I HN 0.884 nan 8.210 nan 0.000 0.470 66 A N 4.774 127.561 122.820 -0.055 0.000 1.882 66 A HA -0.279 4.041 4.320 -0.000 0.000 0.220 66 A C 2.276 179.852 177.584 -0.013 0.000 1.253 66 A CA 2.723 54.746 52.037 -0.023 0.000 0.664 66 A CB -0.922 18.077 19.000 -0.001 0.000 0.838 66 A HN 0.782 nan 8.150 nan 0.000 0.460 67 S N -1.695 114.008 115.700 0.007 0.000 2.547 67 S HA 0.153 4.623 4.470 -0.000 0.000 0.235 67 S C 0.367 174.982 174.600 0.025 0.000 0.980 67 S CA 0.852 59.074 58.200 0.036 0.000 0.941 67 S CB -0.267 62.988 63.200 0.092 0.000 0.763 67 S HN 0.422 nan 8.310 nan 0.000 0.532 68 V N 3.820 123.717 119.914 -0.028 0.000 2.383 68 V HA 0.344 4.464 4.120 -0.000 0.000 0.264 68 V C -2.597 173.469 176.094 -0.046 0.000 1.001 68 V CA -2.079 60.201 62.300 -0.034 0.000 0.828 68 V CB 0.938 32.715 31.823 -0.077 0.000 1.069 68 V HN 0.202 nan 8.190 nan 0.000 0.451 69 P HA 0.166 nan 4.420 nan 0.000 0.264 69 P C 1.036 178.328 177.300 -0.013 0.000 1.183 69 P CA 1.603 64.692 63.100 -0.019 0.000 0.763 69 P CB 1.092 32.786 31.700 -0.010 0.000 0.807 70 G N 1.542 110.336 108.800 -0.009 0.000 2.232 70 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.226 70 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.226 70 G C -0.458 174.465 174.900 0.038 0.000 0.996 70 G CA 0.047 45.154 45.100 0.011 0.000 0.626 70 G HN 0.641 nan 8.290 nan 0.000 0.509 71 L N 2.275 123.493 121.223 -0.008 0.000 2.322 71 L HA 0.881 5.221 4.340 -0.000 0.000 0.281 71 L C -0.087 176.743 176.870 -0.066 0.000 1.014 71 L CA -0.387 54.427 54.840 -0.043 0.000 0.815 71 L CB 2.060 44.032 42.059 -0.145 0.000 1.247 71 L HN 0.132 nan 8.230 nan 0.000 0.421 72 S N 2.908 118.594 115.700 -0.022 0.000 2.638 72 S HA 0.988 5.458 4.470 -0.000 0.000 0.302 72 S C -0.810 173.697 174.600 -0.155 0.000 1.096 72 S CA -0.341 57.838 58.200 -0.036 0.000 0.953 72 S CB 1.829 65.122 63.200 0.155 0.000 1.107 72 S HN 0.937 nan 8.310 nan 0.000 0.503 73 A N 0.753 123.490 122.820 -0.138 0.000 2.527 73 A HA 0.917 5.237 4.320 -0.000 0.000 0.293 73 A C -1.888 175.627 177.584 -0.114 0.000 1.117 73 A CA -0.613 51.336 52.037 -0.146 0.000 0.723 73 A CB 1.435 20.363 19.000 -0.120 0.000 1.313 73 A HN 0.721 nan 8.150 nan 0.000 0.411 74 L N 0.118 121.273 121.223 -0.114 0.000 2.543 74 L HA 0.565 4.904 4.340 -0.000 0.000 0.265 74 L C -0.763 176.072 176.870 -0.059 0.000 0.945 74 L CA -0.016 54.773 54.840 -0.086 0.000 0.869 74 L CB 2.034 44.023 42.059 -0.118 0.000 1.294 74 L HN 0.844 nan 8.230 nan 0.000 0.405 75 E N 5.226 125.408 120.200 -0.029 0.000 2.156 75 E HA 0.522 4.872 4.350 -0.000 0.000 0.279 75 E C -1.265 175.328 176.600 -0.012 0.000 0.965 75 E CA -0.503 55.890 56.400 -0.012 0.000 0.789 75 E CB 1.041 30.742 29.700 0.001 0.000 1.098 75 E HN 0.682 nan 8.360 nan 0.000 0.397 76 I N 4.319 124.882 120.570 -0.012 0.000 2.428 76 I HA 0.132 4.302 4.170 -0.000 0.000 0.279 76 I C -0.306 175.797 176.117 -0.025 0.000 1.040 76 I CA -0.794 60.492 61.300 -0.024 0.000 1.171 76 I CB 1.139 39.110 38.000 -0.049 0.000 1.312 76 I HN 0.461 nan 8.210 nan 0.000 0.470 77 D N 9.289 129.681 120.400 -0.013 0.000 2.382 77 D HA 0.071 4.711 4.640 -0.000 0.000 0.259 77 D C -1.241 175.048 176.300 -0.019 0.000 1.224 77 D CA -1.748 52.248 54.000 -0.008 0.000 0.894 77 D CB 1.515 42.317 40.800 0.002 0.000 1.127 77 D HN 0.279 nan 8.370 nan 0.000 0.487 78 P HA -0.116 nan 4.420 nan 0.000 0.218 78 P C 1.105 178.389 177.300 -0.026 0.000 1.152 78 P CA 0.903 63.979 63.100 -0.040 0.000 0.826 78 P CB 0.535 32.211 31.700 -0.040 0.000 0.790 79 Q N 0.157 119.949 119.800 -0.013 0.000 2.050 79 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 79 Q C 2.455 178.457 176.000 0.003 0.000 0.980 79 Q CA 1.807 57.605 55.803 -0.007 0.000 0.840 79 Q CB -0.711 28.027 28.738 0.000 0.000 0.898 79 Q HN 0.198 nan 8.270 nan 0.000 0.424 80 A N 1.247 124.071 122.820 0.008 0.000 1.933 80 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 80 A C 2.314 179.915 177.584 0.029 0.000 1.175 80 A CA 1.635 53.682 52.037 0.018 0.000 0.628 80 A CB -0.706 18.303 19.000 0.016 0.000 0.814 80 A HN 0.398 nan 8.150 nan 0.000 0.444 81 A N -0.252 122.580 122.820 0.021 0.000 1.930 81 A HA 0.198 4.518 4.320 -0.000 0.000 0.217 81 A C 2.473 180.103 177.584 0.077 0.000 1.175 81 A CA 1.960 54.023 52.037 0.044 0.000 0.627 81 A CB -0.889 18.116 19.000 0.009 0.000 0.815 81 A HN 0.991 nan 8.150 nan 0.000 0.443 82 A N -0.527 122.309 122.820 0.028 0.000 1.873 82 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 82 A C 2.100 179.735 177.584 0.084 0.000 1.186 82 A CA 1.527 53.582 52.037 0.030 0.000 0.616 82 A CB -0.613 18.367 19.000 -0.033 0.000 0.823 82 A HN 0.632 nan 8.150 nan 0.000 0.442 83 Q N -0.984 118.848 119.800 0.053 0.000 2.112 83 Q HA -0.279 4.061 4.340 -0.000 0.000 0.206 83 Q C 2.231 178.272 176.000 0.068 0.000 0.987 83 Q CA 1.894 57.727 55.803 0.051 0.000 0.858 83 Q CB -0.201 28.558 28.738 0.034 0.000 0.905 83 Q HN 0.699 nan 8.270 nan 0.000 0.420 84 Q N -0.747 119.102 119.800 0.082 0.000 2.187 84 Q HA -0.107 4.233 4.340 -0.000 0.000 0.199 84 Q C 1.490 177.547 176.000 0.094 0.000 0.957 84 Q CA 0.931 56.779 55.803 0.075 0.000 0.857 84 Q CB -0.145 28.634 28.738 0.069 0.000 0.929 84 Q HN 0.404 nan 8.270 nan 0.000 0.453 85 Y N 0.512 120.819 120.300 0.011 0.000 2.181 85 Y HA -0.234 4.316 4.550 -0.000 0.000 0.288 85 Y C 2.356 178.260 175.900 0.007 0.000 1.146 85 Y CA 1.717 59.825 58.100 0.012 0.000 1.164 85 Y CB 0.139 38.602 38.460 0.005 0.000 0.982 85 Y HN -0.033 nan 8.280 nan 0.000 0.515 86 R N -0.270 120.336 120.500 0.177 0.000 2.066 86 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 86 R C 2.414 178.736 176.300 0.036 0.000 1.131 86 R CA 1.249 57.408 56.100 0.099 0.000 0.955 86 R CB -0.547 29.803 30.300 0.083 0.000 0.851 86 R HN 0.365 nan 8.270 nan 0.000 0.432 87 A N 0.666 123.504 122.820 0.031 0.000 1.940 87 A HA -0.173 4.146 4.320 -0.000 0.000 0.219 87 A C 2.126 179.705 177.584 -0.008 0.000 1.176 87 A CA 1.413 53.458 52.037 0.013 0.000 0.631 87 A CB -0.450 18.561 19.000 0.018 0.000 0.814 87 A HN 0.313 nan 8.150 nan 0.000 0.446 88 R N -1.053 119.427 120.500 -0.035 0.000 2.148 88 R HA 0.047 4.386 4.340 -0.000 0.000 0.227 88 R C 1.733 177.996 176.300 -0.061 0.000 1.103 88 R CA 1.259 57.323 56.100 -0.059 0.000 0.983 88 R CB -0.252 29.980 30.300 -0.112 0.000 0.874 88 R HN 0.610 nan 8.270 nan 0.000 0.451 89 I N -0.827 119.706 120.570 -0.061 0.000 2.494 89 I HA -0.154 4.016 4.170 -0.000 0.000 0.250 89 I C 1.780 177.890 176.117 -0.011 0.000 1.112 89 I CA 0.634 61.909 61.300 -0.042 0.000 1.438 89 I CB 0.263 38.240 38.000 -0.037 0.000 1.111 89 I HN -0.072 nan 8.210 nan 0.000 0.431 90 V N 0.092 120.006 119.914 -0.001 0.000 2.599 90 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 90 V C 1.890 177.988 176.094 0.008 0.000 1.046 90 V CA 1.274 63.579 62.300 0.009 0.000 1.065 90 V CB -0.587 31.246 31.823 0.017 0.000 0.703 90 V HN 0.313 nan 8.190 nan 0.000 0.464 91 D N 0.442 120.845 120.400 0.005 0.000 2.133 91 D HA -0.146 4.494 4.640 -0.000 0.000 0.195 91 D C -0.159 176.144 176.300 0.006 0.000 0.997 91 D CA 1.726 55.729 54.000 0.006 0.000 0.840 91 D CB -1.594 39.208 40.800 0.004 0.000 0.947 91 D HN 0.383 nan 8.370 nan 0.000 0.452 92 P HA -0.071 nan 4.420 nan 0.000 0.219 92 P C 1.594 178.899 177.300 0.007 0.000 1.146 92 P CA 0.888 63.991 63.100 0.005 0.000 0.808 92 P CB -0.136 31.566 31.700 0.003 0.000 0.779 93 I N -5.766 114.810 120.570 0.009 0.000 4.018 93 I HA 0.250 4.420 4.170 -0.000 0.000 0.337 93 I C 0.188 176.312 176.117 0.011 0.000 1.327 93 I CA -0.412 60.894 61.300 0.010 0.000 1.100 93 I CB -0.143 37.864 38.000 0.012 0.000 1.025 93 I HN -0.319 nan 8.210 nan 0.000 0.396 94 K N 2.424 122.830 120.400 0.010 0.000 2.401 94 K HA 0.302 4.622 4.320 -0.000 0.000 0.278 94 K C 1.194 177.800 176.600 0.010 0.000 1.018 94 K CA 0.914 57.208 56.287 0.011 0.000 0.981 94 K CB 0.541 33.047 32.500 0.011 0.000 0.933 94 K HN 0.461 nan 8.250 nan 0.000 0.477 95 G N 1.264 110.070 108.800 0.010 0.000 2.166 95 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 95 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 95 G C 0.534 175.439 174.900 0.009 0.000 0.986 95 G CA 0.515 45.620 45.100 0.009 0.000 0.683 95 G HN 0.431 nan 8.290 nan 0.000 0.527 96 V N -0.266 119.653 119.914 0.009 0.000 2.939 96 V HA 0.415 4.535 4.120 -0.000 0.000 0.228 96 V C 1.708 177.808 176.094 0.009 0.000 1.162 96 V CA 0.869 63.174 62.300 0.008 0.000 1.222 96 V CB -0.203 31.625 31.823 0.009 0.000 1.053 96 V HN 0.282 nan 8.190 nan 0.000 0.504 97 L N 2.102 123.331 121.223 0.010 0.000 2.456 97 L HA 0.351 4.691 4.340 -0.000 0.000 0.257 97 L C -2.136 174.740 176.870 0.011 0.000 1.162 97 L CA -1.598 53.248 54.840 0.011 0.000 0.808 97 L CB 0.349 42.415 42.059 0.012 0.000 1.136 97 L HN 0.175 nan 8.230 nan 0.000 0.466 98 P HA 0.030 nan 4.420 nan 0.000 0.272 98 P C -0.417 176.890 177.300 0.012 0.000 1.223 98 P CA -0.295 62.811 63.100 0.011 0.000 0.784 98 P CB 0.689 32.395 31.700 0.010 0.000 0.923 99 D N 1.098 121.506 120.400 0.012 0.000 2.149 99 D HA -0.206 4.434 4.640 -0.000 0.000 0.194 99 D C 1.454 177.763 176.300 0.015 0.000 1.001 99 D CA 1.634 55.642 54.000 0.013 0.000 0.849 99 D CB -0.452 40.356 40.800 0.013 0.000 0.939 99 D HN 0.588 nan 8.370 nan 0.000 0.449 100 D N 0.638 121.047 120.400 0.014 0.000 2.183 100 D HA -0.098 4.542 4.640 -0.000 0.000 0.203 100 D C 2.087 178.396 176.300 0.015 0.000 0.969 100 D CA 0.484 54.492 54.000 0.014 0.000 0.842 100 D CB -0.348 40.460 40.800 0.013 0.000 0.957 100 D HN 0.131 nan 8.370 nan 0.000 0.484 101 V N 1.018 120.941 119.914 0.015 0.000 2.323 101 V HA -0.191 3.929 4.120 -0.000 0.000 0.244 101 V C 2.944 179.049 176.094 0.018 0.000 1.041 101 V CA 1.037 63.346 62.300 0.016 0.000 1.025 101 V CB -0.221 31.610 31.823 0.014 0.000 0.656 101 V HN 0.093 nan 8.190 nan 0.000 0.451 102 V N -0.223 119.701 119.914 0.018 0.000 2.261 102 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 102 V C 2.696 178.804 176.094 0.022 0.000 1.047 102 V CA 2.412 64.723 62.300 0.019 0.000 1.015 102 V CB -0.819 31.015 31.823 0.017 0.000 0.642 102 V HN 0.627 nan 8.190 nan 0.000 0.446 103 S N -0.283 115.430 115.700 0.021 0.000 2.402 103 S HA -0.256 4.214 4.470 -0.000 0.000 0.233 103 S C 2.281 176.897 174.600 0.027 0.000 1.030 103 S CA 2.255 60.469 58.200 0.024 0.000 1.003 103 S CB -0.423 62.789 63.200 0.021 0.000 0.813 103 S HN 0.695 nan 8.310 nan 0.000 0.477 104 S N 0.398 116.113 115.700 0.025 0.000 2.387 104 S HA 0.076 4.546 4.470 -0.000 0.000 0.226 104 S C 1.840 176.460 174.600 0.033 0.000 1.026 104 S CA 0.944 59.160 58.200 0.025 0.000 0.972 104 S CB -0.515 62.697 63.200 0.020 0.000 0.814 104 S HN 0.637 nan 8.310 nan 0.000 0.477 105 I N 2.091 122.680 120.570 0.031 0.000 2.315 105 I HA -0.144 4.025 4.170 -0.000 0.000 0.248 105 I C 2.786 178.930 176.117 0.044 0.000 1.117 105 I CA 1.151 62.472 61.300 0.035 0.000 1.404 105 I CB -0.567 37.450 38.000 0.028 0.000 1.071 105 I HN 0.494 nan 8.210 nan 0.000 0.419 106 N N 1.096 119.821 118.700 0.041 0.000 2.120 106 N HA -0.260 4.479 4.740 -0.000 0.000 0.188 106 N C 1.863 177.410 175.510 0.061 0.000 1.024 106 N CA 1.584 54.661 53.050 0.045 0.000 0.852 106 N CB 0.061 38.571 38.487 0.037 0.000 1.003 106 N HN 0.238 nan 8.380 nan 0.000 0.424 107 E N 1.145 121.387 120.200 0.070 0.000 2.204 107 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 107 E C 1.782 178.494 176.600 0.187 0.000 0.990 107 E CA 1.258 57.727 56.400 0.114 0.000 0.821 107 E CB -0.176 29.570 29.700 0.077 0.000 0.750 107 E HN 0.446 nan 8.360 nan 0.000 0.477 108 Q N -0.767 119.112 119.800 0.131 0.000 2.369 108 Q HA 0.020 4.360 4.340 -0.000 0.000 0.206 108 Q C 0.889 176.958 176.000 0.115 0.000 0.963 108 Q CA 0.644 56.540 55.803 0.154 0.000 0.894 108 Q CB 0.164 28.952 28.738 0.083 0.000 0.965 108 Q HN 0.319 nan 8.270 nan 0.000 0.475 109 L N -0.493 120.773 121.223 0.071 0.000 2.872 109 L HA 0.174 4.514 4.340 -0.000 0.000 0.245 109 L C 0.720 177.574 176.870 -0.027 0.000 1.211 109 L CA -0.038 54.821 54.840 0.031 0.000 1.013 109 L CB 0.742 42.841 42.059 0.067 0.000 1.326 109 L HN -0.076 nan 8.230 nan 0.000 0.525 110 S N -0.602 115.047 115.700 -0.085 0.000 2.629 110 S HA 0.279 4.749 4.470 -0.000 0.000 0.236 110 S C 0.885 175.204 174.600 -0.469 0.000 1.010 110 S CA -0.161 57.945 58.200 -0.156 0.000 0.981 110 S CB 0.839 64.038 63.200 -0.001 0.000 0.919 110 S HN 0.445 nan 8.310 nan 0.000 0.514 111 G N 0.437 108.730 108.800 -0.846 0.000 2.511 111 G HA2 0.592 4.552 3.960 -0.000 0.000 0.316 111 G HA3 0.592 4.552 3.960 -0.000 0.000 0.316 111 G C 0.978 175.660 174.900 -0.363 0.000 1.210 111 G CA -0.115 44.394 45.100 -0.984 0.000 0.969 111 G HN 0.209 nan 8.290 nan 0.000 0.492 112 A N -0.879 121.809 122.820 -0.221 0.000 1.940 112 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 112 A C 2.508 180.034 177.584 -0.097 0.000 1.176 112 A CA 2.130 54.098 52.037 -0.116 0.000 0.631 112 A CB -0.976 17.985 19.000 -0.065 0.000 0.814 112 A HN 0.614 nan 8.150 nan 0.000 0.446 113 C N -1.327 117.921 119.300 -0.087 0.000 2.413 113 C HA -0.106 4.354 4.460 -0.000 0.000 0.276 113 C C 3.060 177.980 174.990 -0.116 0.000 1.248 113 C CA 1.631 60.616 59.018 -0.055 0.000 1.742 113 C CB -1.530 26.206 27.740 -0.006 0.000 2.017 113 C HN 0.661 nan 8.230 nan 0.000 0.481 114 T N 0.248 114.713 114.554 -0.149 0.000 2.708 114 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 114 T C 1.812 176.370 174.700 -0.237 0.000 1.037 114 T CA 2.173 64.157 62.100 -0.194 0.000 1.146 114 T CB -0.523 68.261 68.868 -0.140 0.000 0.865 114 T HN 0.595 nan 8.240 nan 0.000 0.435 115 T N 2.120 116.573 114.554 -0.168 0.000 2.665 115 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 115 T C 1.992 176.615 174.700 -0.128 0.000 1.035 115 T CA 1.128 63.145 62.100 -0.137 0.000 1.151 115 T CB -0.288 68.525 68.868 -0.092 0.000 0.862 115 T HN 0.323 nan 8.240 nan 0.000 0.438 116 E N 0.805 120.949 120.200 -0.094 0.000 2.058 116 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 116 E C 2.320 178.886 176.600 -0.057 0.000 0.997 116 E CA 0.846 57.222 56.400 -0.039 0.000 0.801 116 E CB -0.384 29.308 29.700 -0.014 0.000 0.746 116 E HN 0.405 nan 8.360 nan 0.000 0.450 117 I N 0.846 121.313 120.570 -0.171 0.000 2.286 117 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 117 I C 2.363 178.317 176.117 -0.271 0.000 1.115 117 I CA 1.021 62.184 61.300 -0.228 0.000 1.392 117 I CB -1.404 36.382 38.000 -0.357 0.000 1.065 117 I HN -0.052 nan 8.210 nan 0.000 0.418 118 A N 1.105 123.655 122.820 -0.450 0.000 1.877 118 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 118 A C 2.621 180.133 177.584 -0.119 0.000 1.186 118 A CA 1.984 53.786 52.037 -0.392 0.000 0.620 118 A CB -0.809 17.992 19.000 -0.333 0.000 0.822 118 A HN 0.401 nan 8.150 nan 0.000 0.443 119 A N -1.265 121.483 122.820 -0.120 0.000 1.883 119 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 119 A C 2.076 179.565 177.584 -0.157 0.000 1.186 119 A CA 1.724 53.642 52.037 -0.198 0.000 0.624 119 A CB -0.798 18.101 19.000 -0.169 0.000 0.822 119 A HN 0.640 nan 8.150 nan 0.000 0.444 120 F N 0.649 120.583 119.950 -0.026 0.000 2.216 120 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 120 F C 1.955 177.881 175.800 0.209 0.000 1.085 120 F CA 1.906 60.010 58.000 0.174 0.000 1.326 120 F CB -0.056 39.011 39.000 0.111 0.000 1.027 120 F HN 0.279 nan 8.300 nan 0.000 0.497 121 D N 0.126 120.722 120.400 0.327 0.000 2.144 121 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 121 D C 2.075 178.481 176.300 0.177 0.000 0.984 121 D CA 1.085 55.316 54.000 0.385 0.000 0.834 121 D CB -0.046 40.994 40.800 0.399 0.000 0.955 121 D HN 0.312 nan 8.370 nan 0.000 0.465 122 E N -0.437 119.787 120.200 0.040 0.000 2.072 122 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 122 E C 2.216 178.819 176.600 0.006 0.000 0.982 122 E CA 0.396 56.782 56.400 -0.025 0.000 0.803 122 E CB -0.462 29.154 29.700 -0.140 0.000 0.755 122 E HN 0.346 nan 8.360 nan 0.000 0.453 123 F N 1.799 121.716 119.950 -0.054 0.000 2.095 123 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 123 F C 2.652 178.320 175.800 -0.219 0.000 1.104 123 F CA 1.321 59.231 58.000 -0.151 0.000 1.232 123 F CB -1.305 37.460 39.000 -0.393 0.000 0.987 123 F HN -0.015 nan 8.300 nan 0.000 0.475 124 T N -0.335 114.156 114.554 -0.105 0.000 2.653 124 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 124 T C 2.331 177.017 174.700 -0.023 0.000 1.035 124 T CA 1.689 63.722 62.100 -0.112 0.000 1.154 124 T CB -1.190 67.680 68.868 0.002 0.000 0.862 124 T HN 0.444 nan 8.240 nan 0.000 0.441 125 G N 1.282 110.099 108.800 0.029 0.000 2.446 125 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 125 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 125 G C 1.425 176.372 174.900 0.078 0.000 1.168 125 G CA 0.549 45.678 45.100 0.048 0.000 0.771 125 G HN 0.316 nan 8.290 nan 0.000 0.551 126 L N 0.421 121.713 121.223 0.115 0.000 2.017 126 L HA 0.094 4.434 4.340 -0.000 0.000 0.208 126 L C 2.841 179.786 176.870 0.125 0.000 1.073 126 L CA 1.068 56.007 54.840 0.166 0.000 0.745 126 L CB -0.975 41.265 42.059 0.302 0.000 0.894 126 L HN 0.176 nan 8.230 nan 0.000 0.432 127 L N -0.902 120.314 121.223 -0.012 0.000 2.456 127 L HA -0.150 4.190 4.340 -0.000 0.000 0.224 127 L C 1.869 178.692 176.870 -0.078 0.000 1.148 127 L CA 1.360 56.058 54.840 -0.236 0.000 0.825 127 L CB -0.655 41.173 42.059 -0.385 0.000 0.937 127 L HN 0.478 nan 8.230 nan 0.000 0.450 128 T N -6.325 108.273 114.554 0.074 0.000 3.010 128 T HA 0.034 4.384 4.350 -0.000 0.000 0.257 128 T C 0.628 175.461 174.700 0.222 0.000 1.020 128 T CA -0.410 61.839 62.100 0.247 0.000 0.938 128 T CB 0.033 69.040 68.868 0.232 0.000 1.049 128 T HN -0.026 nan 8.240 nan 0.000 0.522 129 D N 1.738 122.240 120.400 0.170 0.000 2.374 129 D HA 0.517 5.157 4.640 -0.000 0.000 0.240 129 D C 1.334 177.741 176.300 0.179 0.000 1.229 129 D CA -0.089 54.001 54.000 0.150 0.000 0.895 129 D CB 1.140 42.018 40.800 0.130 0.000 1.046 129 D HN 0.245 nan 8.370 nan 0.000 0.498 130 A N 3.187 126.104 122.820 0.163 0.000 1.933 130 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 130 A C 2.196 179.850 177.584 0.117 0.000 1.175 130 A CA 1.886 54.016 52.037 0.154 0.000 0.628 130 A CB -0.583 18.491 19.000 0.122 0.000 0.814 130 A HN 0.628 nan 8.150 nan 0.000 0.444 131 S N -0.494 115.263 115.700 0.095 0.000 2.419 131 S HA -0.147 4.323 4.470 -0.000 0.000 0.235 131 S C 1.735 176.390 174.600 0.092 0.000 1.019 131 S CA 1.480 59.723 58.200 0.072 0.000 0.982 131 S CB -0.545 62.689 63.200 0.057 0.000 0.789 131 S HN 0.237 nan 8.310 nan 0.000 0.490 132 L N 1.351 122.661 121.223 0.146 0.000 2.079 132 L HA 0.136 4.476 4.340 -0.000 0.000 0.210 132 L C 2.220 179.218 176.870 0.213 0.000 1.081 132 L CA 1.475 56.452 54.840 0.229 0.000 0.752 132 L CB -0.773 41.433 42.059 0.245 0.000 0.896 132 L HN 0.411 nan 8.230 nan 0.000 0.433 133 L N -1.759 119.543 121.223 0.130 0.000 2.610 133 L HA -0.082 4.258 4.340 -0.000 0.000 0.232 133 L C 1.833 178.704 176.870 0.002 0.000 1.149 133 L CA 0.431 55.299 54.840 0.047 0.000 0.872 133 L CB -0.567 41.495 42.059 0.005 0.000 0.992 133 L HN 0.231 nan 8.230 nan 0.000 0.447 134 T N -1.193 113.365 114.554 0.006 0.000 3.037 134 T HA 0.059 4.408 4.350 -0.000 0.000 0.252 134 T C 1.938 176.575 174.700 -0.105 0.000 1.073 134 T CA 0.488 62.566 62.100 -0.037 0.000 1.091 134 T CB 0.244 69.103 68.868 -0.016 0.000 0.935 134 T HN 0.172 nan 8.240 nan 0.000 0.488 135 R N -0.493 119.918 120.500 -0.147 0.000 2.225 135 R HA 0.310 4.650 4.340 -0.000 0.000 0.194 135 R C -0.302 175.582 176.300 -0.693 0.000 0.957 135 R CA 0.310 56.157 56.100 -0.422 0.000 1.042 135 R CB 0.186 30.180 30.300 -0.511 0.000 1.004 135 R HN 0.320 nan 8.270 nan 0.000 0.509 136 F N 0.164 120.076 119.950 -0.064 0.000 2.538 136 F HA 0.313 4.840 4.527 -0.000 0.000 0.325 136 F C 1.228 176.934 175.800 -0.157 0.000 1.066 136 F CA -0.902 57.045 58.000 -0.088 0.000 0.946 136 F CB 1.632 40.590 39.000 -0.070 0.000 1.199 136 F HN -0.266 nan 8.300 nan 0.000 0.473 137 D N -0.433 119.950 120.400 -0.028 0.000 2.240 137 D HA 0.020 4.659 4.640 -0.000 0.000 0.206 137 D C -0.113 175.809 176.300 -0.628 0.000 0.963 137 D CA 1.222 55.017 54.000 -0.341 0.000 0.863 137 D CB 0.179 40.760 40.800 -0.364 0.000 0.973 137 D HN 0.542 nan 8.370 nan 0.000 0.501 138 H N -1.194 117.891 119.070 0.025 0.000 2.894 138 H HA 0.499 5.055 4.556 -0.000 0.000 0.367 138 H C -0.633 174.651 175.328 -0.074 0.000 1.144 138 H CA -0.558 55.465 56.048 -0.041 0.000 1.180 138 H CB 2.315 32.062 29.762 -0.025 0.000 1.758 138 H HN -0.218 nan 8.280 nan 0.000 0.541 139 I N 3.848 124.430 120.570 0.019 0.000 2.418 139 I HA 0.349 4.519 4.170 -0.000 0.000 0.287 139 I C -0.665 175.362 176.117 -0.150 0.000 1.008 139 I CA -0.439 60.781 61.300 -0.134 0.000 1.104 139 I CB 1.430 39.408 38.000 -0.036 0.000 1.264 139 I HN 0.359 nan 8.210 nan 0.000 0.438 140 I N 5.895 126.297 120.570 -0.279 0.000 2.404 140 I HA 0.436 4.606 4.170 -0.000 0.000 0.293 140 I C -0.909 175.003 176.117 -0.341 0.000 0.992 140 I CA -0.481 60.734 61.300 -0.142 0.000 1.149 140 I CB 1.574 39.597 38.000 0.038 0.000 1.315 140 I HN 0.333 nan 8.210 nan 0.000 0.446 141 F N 3.345 123.229 119.950 -0.110 0.000 2.495 141 F HA 0.248 4.775 4.527 -0.000 0.000 0.327 141 F C 0.767 176.683 175.800 0.193 0.000 1.103 141 F CA -0.793 57.196 58.000 -0.019 0.000 0.949 141 F CB 1.368 40.227 39.000 -0.235 0.000 1.142 141 F HN 0.505 nan 8.300 nan 0.000 0.457 142 D N -0.305 120.307 120.400 0.354 0.000 2.336 142 D HA 0.092 4.732 4.640 -0.000 0.000 0.228 142 D C 0.071 176.564 176.300 0.320 0.000 1.120 142 D CA 0.110 54.281 54.000 0.286 0.000 0.839 142 D CB -0.344 40.528 40.800 0.120 0.000 0.932 142 D HN 0.522 nan 8.370 nan 0.000 0.509 143 T N -4.108 110.705 114.554 0.433 0.000 2.792 143 T HA 0.761 5.111 4.350 -0.000 0.000 0.303 143 T C -1.208 173.756 174.700 0.440 0.000 1.310 143 T CA -0.814 61.517 62.100 0.385 0.000 1.007 143 T CB 1.718 70.805 68.868 0.366 0.000 1.335 143 T HN 0.207 nan 8.240 nan 0.000 0.504 144 A N 1.227 124.211 122.820 0.273 0.000 2.498 144 A HA 0.952 5.272 4.320 -0.000 0.000 0.298 144 A C -2.934 174.673 177.584 0.039 0.000 1.075 144 A CA -1.722 50.332 52.037 0.028 0.000 0.714 144 A CB 0.921 19.880 19.000 -0.069 0.000 1.299 144 A HN 0.779 nan 8.150 nan 0.000 0.407 145 P HA 0.356 nan 4.420 nan 0.000 0.274 145 P C 0.103 177.412 177.300 0.014 0.000 1.237 145 P CA 0.100 63.262 63.100 0.103 0.000 0.793 145 P CB 0.700 32.539 31.700 0.231 0.000 0.977 146 T N -3.054 111.525 114.554 0.041 0.000 2.881 146 T HA 0.377 4.727 4.350 -0.000 0.000 0.278 146 T C 1.656 176.347 174.700 -0.015 0.000 0.982 146 T CA -0.057 62.053 62.100 0.016 0.000 0.989 146 T CB 0.704 69.602 68.868 0.050 0.000 1.058 146 T HN 0.424 nan 8.240 nan 0.000 0.529 147 G N -0.269 108.525 108.800 -0.010 0.000 2.422 147 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 147 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 147 G C 1.359 176.252 174.900 -0.012 0.000 1.146 147 G CA 1.185 46.269 45.100 -0.026 0.000 0.769 147 G HN 1.013 nan 8.290 nan 0.000 0.547 148 H N 0.724 119.744 119.070 -0.083 0.000 2.321 148 H HA -0.053 4.502 4.556 -0.000 0.000 0.300 148 H C 2.633 177.880 175.328 -0.136 0.000 1.087 148 H CA 2.238 58.230 56.048 -0.093 0.000 1.319 148 H CB -0.446 29.271 29.762 -0.075 0.000 1.379 148 H HN 0.230 nan 8.280 nan 0.000 0.501 149 T N 0.578 114.982 114.554 -0.250 0.000 2.746 149 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 149 T C 2.240 176.637 174.700 -0.504 0.000 1.039 149 T CA 1.616 63.469 62.100 -0.411 0.000 1.142 149 T CB -0.268 68.457 68.868 -0.237 0.000 0.866 149 T HN 0.285 nan 8.240 nan 0.000 0.444 150 I N 0.568 120.919 120.570 -0.365 0.000 2.179 150 I HA -0.166 4.004 4.170 -0.000 0.000 0.242 150 I C 2.797 178.759 176.117 -0.258 0.000 1.088 150 I CA 1.302 62.394 61.300 -0.347 0.000 1.357 150 I CB -0.304 37.601 38.000 -0.157 0.000 1.051 150 I HN 0.116 nan 8.210 nan 0.000 0.409 151 R N 0.527 120.910 120.500 -0.195 0.000 2.091 151 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 151 R C 2.365 178.553 176.300 -0.186 0.000 1.136 151 R CA 1.322 57.337 56.100 -0.141 0.000 0.959 151 R CB -0.547 29.703 30.300 -0.084 0.000 0.856 151 R HN 0.326 nan 8.270 nan 0.000 0.437 152 L N 0.606 121.648 121.223 -0.303 0.000 2.013 152 L HA -0.241 4.098 4.340 -0.000 0.000 0.212 152 L C 2.317 179.016 176.870 -0.284 0.000 1.073 152 L CA 1.386 56.028 54.840 -0.331 0.000 0.753 152 L CB -0.337 41.436 42.059 -0.477 0.000 0.890 152 L HN 0.206 nan 8.230 nan 0.000 0.432 153 L N -0.572 120.459 121.223 -0.321 0.000 2.376 153 L HA -0.169 4.171 4.340 -0.000 0.000 0.219 153 L C 2.411 179.310 176.870 0.048 0.000 1.133 153 L CA 0.772 55.494 54.840 -0.197 0.000 0.816 153 L CB -0.266 41.572 42.059 -0.369 0.000 0.933 153 L HN 0.446 nan 8.230 nan 0.000 0.449 154 Q N -0.410 119.387 119.800 -0.006 0.000 2.319 154 Q HA 0.109 4.449 4.340 -0.000 0.000 0.202 154 Q C 0.294 176.345 176.000 0.085 0.000 0.896 154 Q CA 0.009 55.853 55.803 0.068 0.000 0.942 154 Q CB 0.168 28.917 28.738 0.019 0.000 1.083 154 Q HN 0.401 nan 8.270 nan 0.000 0.510 155 L N 2.473 123.730 121.223 0.056 0.000 2.281 155 L HA 0.237 4.577 4.340 -0.000 0.000 0.285 155 L C -1.739 175.211 176.870 0.133 0.000 1.074 155 L CA -1.974 52.891 54.840 0.043 0.000 0.817 155 L CB 1.116 43.149 42.059 -0.044 0.000 1.168 155 L HN -0.079 nan 8.230 nan 0.000 0.434 156 P HA -0.149 nan 4.420 nan 0.000 0.217 156 P C 1.456 178.857 177.300 0.168 0.000 1.148 156 P CA 1.023 64.254 63.100 0.219 0.000 0.828 156 P CB 0.265 32.037 31.700 0.121 0.000 0.783 157 G N -0.136 108.687 108.800 0.038 0.000 2.509 157 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.218 157 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.218 157 G C 1.520 176.314 174.900 -0.176 0.000 1.124 157 G CA 0.646 45.723 45.100 -0.039 0.000 0.776 157 G HN 0.323 nan 8.290 nan 0.000 0.547 158 A N -0.324 122.321 122.820 -0.292 0.000 2.121 158 A HA 0.084 4.404 4.320 -0.000 0.000 0.218 158 A C 1.940 178.925 177.584 -0.999 0.000 1.154 158 A CA 1.123 52.764 52.037 -0.659 0.000 0.679 158 A CB -0.382 18.142 19.000 -0.793 0.000 0.795 158 A HN 0.554 nan 8.150 nan 0.000 0.458 159 W N -0.193 121.054 121.300 -0.089 0.000 2.728 159 W HA 0.128 4.788 4.660 -0.000 0.000 0.270 159 W C 1.477 177.958 176.519 -0.063 0.000 1.150 159 W CA 0.728 58.035 57.345 -0.064 0.000 1.518 159 W CB -0.298 29.156 29.460 -0.009 0.000 1.069 159 W HN 0.247 nan 8.180 nan 0.000 0.590 160 S N 0.533 116.312 115.700 0.132 0.000 3.548 160 S HA 0.596 5.066 4.470 -0.000 0.000 0.195 160 S C -0.271 174.356 174.600 0.046 0.000 1.432 160 S CA -0.370 57.909 58.200 0.132 0.000 1.087 160 S CB 0.068 63.361 63.200 0.155 0.000 1.337 160 S HN -0.056 nan 8.310 nan 0.000 0.505 161 S N 1.298 116.902 115.700 -0.160 0.000 2.605 161 S HA 0.493 4.962 4.470 -0.000 0.000 0.279 161 S C -1.516 172.776 174.600 -0.513 0.000 1.166 161 S CA -0.649 57.447 58.200 -0.174 0.000 0.975 161 S CB 0.560 63.667 63.200 -0.155 0.000 1.111 161 S HN 0.512 nan 8.310 nan 0.000 0.465 162 F N 2.771 122.703 119.950 -0.030 0.000 2.430 162 F HA 0.517 5.044 4.527 -0.000 0.000 0.362 162 F C 0.095 175.877 175.800 -0.030 0.000 1.103 162 F CA -0.684 57.298 58.000 -0.030 0.000 1.045 162 F CB 0.670 39.659 39.000 -0.018 0.000 1.276 162 F HN 0.390 nan 8.300 nan 0.000 0.444 163 I N 3.321 123.903 120.570 0.021 0.000 2.322 163 I HA 0.092 4.261 4.170 -0.000 0.000 0.292 163 I C -0.233 175.901 176.117 0.028 0.000 1.060 163 I CA -0.650 60.655 61.300 0.008 0.000 1.309 163 I CB 0.181 38.157 38.000 -0.041 0.000 1.415 163 I HN 0.514 nan 8.210 nan 0.000 0.492 164 D N 5.133 125.554 120.400 0.035 0.000 5.247 164 D HA -0.146 4.494 4.640 -0.000 0.000 0.184 164 D C 0.674 176.986 176.300 0.020 0.000 1.197 164 D CA 0.595 54.611 54.000 0.027 0.000 0.747 164 D CB 0.165 40.968 40.800 0.006 0.000 1.304 164 D HN 0.670 nan 8.370 nan 0.000 0.732 165 S N 2.907 118.627 115.700 0.033 0.000 3.723 165 S HA -0.262 4.207 4.470 -0.000 0.000 0.440 165 S C -0.028 174.580 174.600 0.012 0.000 0.901 165 S CA -0.310 57.906 58.200 0.026 0.000 1.831 165 S CB -0.716 62.502 63.200 0.030 0.000 1.036 165 S HN 0.483 nan 8.310 nan 0.000 0.614 166 N N 4.586 123.289 118.700 0.006 0.000 2.070 166 N HA -0.087 4.653 4.740 -0.000 0.000 0.274 166 N C -1.623 173.890 175.510 0.005 0.000 1.292 166 N CA 0.003 53.054 53.050 0.002 0.000 1.022 166 N CB -0.098 38.391 38.487 0.004 0.000 1.373 166 N HN 0.519 nan 8.380 nan 0.000 0.497 167 P HA -0.228 nan 4.420 nan 0.000 0.212 167 P C 1.217 178.521 177.300 0.007 0.000 1.180 167 P CA 1.094 64.195 63.100 0.003 0.000 0.906 167 P CB 0.118 31.816 31.700 -0.004 0.000 0.782 168 E N -0.539 119.664 120.200 0.006 0.000 2.208 168 E HA -0.012 4.338 4.350 -0.000 0.000 0.193 168 E C 1.045 177.660 176.600 0.025 0.000 0.988 168 E CA 0.915 57.327 56.400 0.020 0.000 0.828 168 E CB -1.095 28.619 29.700 0.023 0.000 0.763 168 E HN 0.202 nan 8.360 nan 0.000 0.478 169 G N 1.315 110.125 108.800 0.017 0.000 2.246 169 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.273 169 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.273 169 G C 0.722 175.641 174.900 0.032 0.000 1.055 169 G CA 0.335 45.446 45.100 0.019 0.000 0.851 169 G HN 0.613 nan 8.290 nan 0.000 0.500 170 A N -0.622 122.231 122.820 0.055 0.000 2.235 170 A HA 0.583 4.902 4.320 -0.000 0.000 0.208 170 A C 1.508 179.141 177.584 0.081 0.000 1.172 170 A CA 1.471 53.573 52.037 0.109 0.000 0.786 170 A CB 0.075 19.187 19.000 0.186 0.000 0.804 170 A HN 1.371 nan 8.150 nan 0.000 0.479 171 S N -1.623 114.105 115.700 0.047 0.000 2.554 171 S HA 0.331 4.801 4.470 -0.000 0.000 0.278 171 S C 0.322 174.954 174.600 0.053 0.000 1.242 171 S CA -0.452 57.772 58.200 0.039 0.000 1.051 171 S CB 0.641 63.849 63.200 0.013 0.000 0.986 171 S HN 0.379 nan 8.310 nan 0.000 0.502 172 C N 5.295 124.624 119.300 0.049 0.000 2.976 172 C HA 0.373 4.832 4.460 -0.000 0.000 0.274 172 C C 1.575 176.565 174.990 0.000 0.000 1.487 172 C CA -0.472 58.576 59.018 0.051 0.000 1.789 172 C CB -1.748 26.033 27.740 0.069 0.000 2.771 172 C HN 0.831 nan 8.230 nan 0.000 0.551 173 L N 0.841 122.052 121.223 -0.021 0.000 2.509 173 L HA 0.132 4.471 4.340 -0.000 0.000 0.222 173 L C 2.564 179.392 176.870 -0.070 0.000 1.123 173 L CA 0.899 55.696 54.840 -0.072 0.000 0.856 173 L CB -0.410 41.593 42.059 -0.093 0.000 0.985 173 L HN 0.581 nan 8.230 nan 0.000 0.456 174 G N 1.542 110.326 108.800 -0.026 0.000 2.505 174 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 174 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 174 G C -0.685 174.221 174.900 0.010 0.000 1.145 174 G CA 0.700 45.796 45.100 -0.007 0.000 0.761 174 G HN 0.318 nan 8.290 nan 0.000 0.571 175 P HA -0.126 nan 4.420 nan 0.000 0.217 175 P C 2.168 179.555 177.300 0.146 0.000 1.148 175 P CA 1.180 64.341 63.100 0.102 0.000 0.828 175 P CB -0.044 31.626 31.700 -0.050 0.000 0.783 176 M N -0.744 118.828 119.600 -0.046 0.000 2.108 176 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 176 M C 2.141 178.371 176.300 -0.118 0.000 1.066 176 M CA 1.976 57.184 55.300 -0.153 0.000 1.107 176 M CB -2.211 30.207 32.600 -0.303 0.000 1.356 176 M HN -0.088 nan 8.290 nan 0.000 0.406 177 A N 0.431 123.195 122.820 -0.093 0.000 2.042 177 A HA -0.071 4.248 4.320 -0.000 0.000 0.222 177 A C 2.338 179.871 177.584 -0.085 0.000 1.167 177 A CA 1.955 53.941 52.037 -0.085 0.000 0.649 177 A CB -1.414 17.554 19.000 -0.054 0.000 0.809 177 A HN 0.591 nan 8.150 nan 0.000 0.457 178 G N -1.072 107.670 108.800 -0.098 0.000 2.920 178 G HA2 0.317 4.277 3.960 -0.000 0.000 0.208 178 G HA3 0.317 4.277 3.960 -0.000 0.000 0.208 178 G C 0.451 175.110 174.900 -0.402 0.000 1.159 178 G CA -0.431 44.382 45.100 -0.478 0.000 0.784 178 G HN 0.421 nan 8.290 nan 0.000 0.535 179 L N 1.521 122.757 121.223 0.022 0.000 2.698 179 L HA -0.001 4.338 4.340 -0.000 0.000 0.272 179 L C 1.822 178.834 176.870 0.237 0.000 1.154 179 L CA -0.131 54.833 54.840 0.206 0.000 0.964 179 L CB 0.563 42.702 42.059 0.133 0.000 1.272 179 L HN 0.359 nan 8.230 nan 0.000 0.483 180 E N 3.875 124.229 120.200 0.257 0.000 2.051 180 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 180 E C 0.418 177.152 176.600 0.223 0.000 0.991 180 E CA 1.122 57.634 56.400 0.186 0.000 0.799 180 E CB 0.371 30.168 29.700 0.162 0.000 0.748 180 E HN 0.566 nan 8.360 nan 0.000 0.449 181 K N 0.757 121.347 120.400 0.317 0.000 2.127 181 K HA 0.166 4.486 4.320 -0.000 0.000 0.240 181 K C 0.009 176.731 176.600 0.202 0.000 1.024 181 K CA -0.692 55.668 56.287 0.121 0.000 0.918 181 K CB 0.645 33.009 32.500 -0.226 0.000 1.108 181 K HN -0.029 nan 8.250 nan 0.000 0.485 182 Q N 1.660 121.469 119.800 0.014 0.000 2.332 182 Q HA -0.018 4.322 4.340 -0.000 0.000 0.263 182 Q C 0.957 176.890 176.000 -0.112 0.000 0.979 182 Q CA 0.433 56.224 55.803 -0.021 0.000 0.885 182 Q CB 1.083 29.780 28.738 -0.068 0.000 1.218 182 Q HN 0.569 nan 8.270 nan 0.000 0.405 183 R N 2.496 122.806 120.500 -0.317 0.000 2.178 183 R HA -0.277 4.063 4.340 -0.000 0.000 0.257 183 R C 0.847 176.960 176.300 -0.311 0.000 1.163 183 R CA 2.182 57.839 56.100 -0.737 0.000 0.981 183 R CB 0.305 29.858 30.300 -1.245 0.000 0.878 183 R HN 0.533 nan 8.270 nan 0.000 0.454 184 E N 0.339 120.406 120.200 -0.222 0.000 2.110 184 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 184 E C 2.054 178.615 176.600 -0.065 0.000 0.988 184 E CA 1.397 57.721 56.400 -0.128 0.000 0.804 184 E CB -0.077 29.547 29.700 -0.128 0.000 0.745 184 E HN 0.498 nan 8.360 nan 0.000 0.458 185 Q N -0.822 118.898 119.800 -0.134 0.000 2.119 185 Q HA -0.141 4.199 4.340 -0.000 0.000 0.201 185 Q C 1.786 177.743 176.000 -0.071 0.000 0.972 185 Q CA 1.200 56.931 55.803 -0.121 0.000 0.847 185 Q CB -0.170 28.409 28.738 -0.266 0.000 0.903 185 Q HN 0.476 nan 8.270 nan 0.000 0.433 186 Y N 0.185 120.584 120.300 0.164 0.000 2.220 186 Y HA -0.168 4.382 4.550 -0.000 0.000 0.291 186 Y C 2.515 178.546 175.900 0.218 0.000 1.129 186 Y CA 0.663 58.926 58.100 0.271 0.000 1.161 186 Y CB -0.297 38.373 38.460 0.350 0.000 0.997 186 Y HN 0.129 nan 8.280 nan 0.000 0.522 187 A N -0.178 122.797 122.820 0.258 0.000 1.883 187 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 187 A C 2.053 179.750 177.584 0.188 0.000 1.186 187 A CA 1.847 53.988 52.037 0.174 0.000 0.624 187 A CB -1.415 17.634 19.000 0.081 0.000 0.822 187 A HN 0.654 nan 8.150 nan 0.000 0.444 188 Y N 0.264 120.581 120.300 0.029 0.000 2.114 188 Y HA -0.135 4.415 4.550 0.000 0.000 0.284 188 Y C 2.754 178.666 175.900 0.019 0.000 1.143 188 Y CA 1.561 59.668 58.100 0.012 0.000 1.135 188 Y CB -0.366 38.084 38.460 -0.016 0.000 0.980 188 Y HN 0.352 nan 8.280 nan 0.000 0.499 189 A N -0.275 122.538 122.820 -0.010 0.000 1.903 189 A HA -0.266 4.053 4.320 -0.000 0.000 0.219 189 A C 2.244 179.776 177.584 -0.087 0.000 1.191 189 A CA 2.381 54.334 52.037 -0.139 0.000 0.638 189 A CB -1.454 17.512 19.000 -0.057 0.000 0.823 189 A HN 0.401 nan 8.150 nan 0.000 0.451 190 V N -0.193 119.771 119.914 0.084 0.000 2.343 190 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 190 V C 2.400 178.486 176.094 -0.013 0.000 1.051 190 V CA 2.289 64.634 62.300 0.075 0.000 1.036 190 V CB -0.870 31.030 31.823 0.128 0.000 0.654 190 V HN 0.651 nan 8.190 nan 0.000 0.451 191 E N 0.271 120.462 120.200 -0.014 0.000 2.085 191 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 191 E C 2.342 178.891 176.600 -0.084 0.000 0.994 191 E CA 1.344 57.728 56.400 -0.026 0.000 0.801 191 E CB -0.347 29.367 29.700 0.024 0.000 0.743 191 E HN 0.606 nan 8.360 nan 0.000 0.453 192 A N 1.033 123.735 122.820 -0.196 0.000 1.902 192 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 192 A C 2.165 179.680 177.584 -0.116 0.000 1.181 192 A CA 1.109 53.028 52.037 -0.197 0.000 0.623 192 A CB -0.585 18.184 19.000 -0.384 0.000 0.818 192 A HN 0.148 nan 8.150 nan 0.000 0.443 193 L N -0.548 120.576 121.223 -0.164 0.000 2.141 193 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 193 L C 2.464 179.273 176.870 -0.102 0.000 1.094 193 L CA 1.306 56.036 54.840 -0.184 0.000 0.763 193 L CB -0.140 41.758 42.059 -0.268 0.000 0.908 193 L HN 0.298 nan 8.230 nan 0.000 0.437 194 S N -1.666 113.996 115.700 -0.064 0.000 2.527 194 S HA -0.048 4.422 4.470 -0.000 0.000 0.222 194 S C 0.510 175.107 174.600 -0.005 0.000 0.985 194 S CA -0.002 58.178 58.200 -0.033 0.000 0.921 194 S CB -0.209 62.978 63.200 -0.022 0.000 0.772 194 S HN 0.300 nan 8.310 nan 0.000 0.529 195 D N 2.563 122.966 120.400 0.005 0.000 2.336 195 D HA 0.142 4.782 4.640 -0.000 0.000 0.249 195 D C -1.403 174.928 176.300 0.052 0.000 1.213 195 D CA -2.260 51.758 54.000 0.030 0.000 0.870 195 D CB 1.256 42.077 40.800 0.035 0.000 1.076 195 D HN 0.056 nan 8.370 nan 0.000 0.483 196 P HA -0.133 nan 4.420 nan 0.000 0.222 196 P C 0.726 178.072 177.300 0.077 0.000 1.147 196 P CA 0.846 63.987 63.100 0.069 0.000 0.790 196 P CB 0.406 32.144 31.700 0.063 0.000 0.780 197 K N -0.373 120.066 120.400 0.066 0.000 2.366 197 K HA 0.012 4.331 4.320 -0.000 0.000 0.198 197 K C 2.319 178.960 176.600 0.068 0.000 1.044 197 K CA 0.699 57.022 56.287 0.060 0.000 0.973 197 K CB 0.036 32.564 32.500 0.048 0.000 0.767 197 K HN 0.110 nan 8.250 nan 0.000 0.475 198 R N -0.467 120.093 120.500 0.100 0.000 2.167 198 R HA 0.096 4.436 4.340 -0.000 0.000 0.201 198 R C 0.125 176.584 176.300 0.265 0.000 1.024 198 R CA 0.632 56.828 56.100 0.159 0.000 1.053 198 R CB 0.888 31.324 30.300 0.226 0.000 0.987 198 R HN -0.068 nan 8.270 nan 0.000 0.493 199 T N 0.697 115.386 114.554 0.225 0.000 2.861 199 T HA 0.393 4.743 4.350 -0.000 0.000 0.287 199 T C -1.061 173.741 174.700 0.171 0.000 1.003 199 T CA -0.620 61.636 62.100 0.260 0.000 0.977 199 T CB 2.590 71.572 68.868 0.190 0.000 0.996 199 T HN 0.029 nan 8.240 nan 0.000 0.448 200 R N 2.865 123.474 120.500 0.181 0.000 2.534 200 R HA 0.587 4.927 4.340 -0.000 0.000 0.301 200 R C -1.480 174.876 176.300 0.093 0.000 0.961 200 R CA -0.844 55.325 56.100 0.115 0.000 0.871 200 R CB 0.958 31.277 30.300 0.030 0.000 1.170 200 R HN 0.405 nan 8.270 nan 0.000 0.446 201 L N 6.087 127.352 121.223 0.070 0.000 2.305 201 L HA 0.461 4.801 4.340 -0.000 0.000 0.284 201 L C -1.300 175.556 176.870 -0.024 0.000 1.013 201 L CA -0.593 54.253 54.840 0.011 0.000 0.819 201 L CB 1.814 43.868 42.059 -0.009 0.000 1.227 201 L HN 0.477 nan 8.230 nan 0.000 0.417 202 V N 6.686 126.488 119.914 -0.187 0.000 2.347 202 V HA 0.330 4.450 4.120 -0.000 0.000 0.280 202 V C 0.328 176.377 176.094 -0.074 0.000 1.021 202 V CA -0.566 61.604 62.300 -0.216 0.000 0.847 202 V CB 1.639 33.073 31.823 -0.648 0.000 0.990 202 V HN 0.568 nan 8.190 nan 0.000 0.444 203 L N 6.234 127.446 121.223 -0.017 0.000 2.283 203 L HA 0.421 4.761 4.340 -0.000 0.000 0.287 203 L C -0.238 176.634 176.870 0.004 0.000 1.073 203 L CA -0.294 54.552 54.840 0.009 0.000 0.822 203 L CB 1.127 43.188 42.059 0.003 0.000 1.186 203 L HN 0.357 nan 8.230 nan 0.000 0.436 204 V N 3.127 123.063 119.914 0.037 0.000 2.439 204 V HA 0.817 4.937 4.120 -0.000 0.000 0.282 204 V C 0.390 176.486 176.094 0.004 0.000 1.039 204 V CA -0.284 62.028 62.300 0.020 0.000 0.913 204 V CB 1.237 33.095 31.823 0.057 0.000 0.983 204 V HN 0.916 nan 8.190 nan 0.000 0.460 205 A N 5.501 128.310 122.820 -0.018 0.000 2.567 205 A HA 0.930 5.250 4.320 -0.000 0.000 0.289 205 A C -0.919 176.648 177.584 -0.028 0.000 1.177 205 A CA -0.938 51.088 52.037 -0.019 0.000 0.694 205 A CB 1.863 20.850 19.000 -0.022 0.000 1.292 205 A HN 0.611 nan 8.150 nan 0.000 0.425 206 R N -0.206 120.279 120.500 -0.025 0.000 2.832 206 R HA 0.455 4.795 4.340 -0.000 0.000 0.271 206 R C -0.954 175.325 176.300 -0.035 0.000 0.996 206 R CA -0.747 55.337 56.100 -0.027 0.000 0.977 206 R CB 1.454 31.744 30.300 -0.017 0.000 1.168 206 R HN 0.626 nan 8.270 nan 0.000 0.482 207 L N 2.762 123.960 121.223 -0.042 0.000 2.416 207 L HA 0.089 4.428 4.340 -0.000 0.000 0.243 207 L C 0.113 176.956 176.870 -0.046 0.000 1.373 207 L CA 0.425 55.232 54.840 -0.055 0.000 1.227 207 L CB -0.187 41.827 42.059 -0.076 0.000 1.428 207 L HN 0.203 nan 8.230 nan 0.000 0.425 208 Q N 1.338 121.117 119.800 -0.035 0.000 2.285 208 Q HA 0.092 4.432 4.340 -0.000 0.000 0.269 208 Q C 0.385 176.370 176.000 -0.024 0.000 1.030 208 Q CA -0.357 55.430 55.803 -0.027 0.000 0.788 208 Q CB 2.453 31.180 28.738 -0.017 0.000 1.266 208 Q HN 0.339 nan 8.270 nan 0.000 0.438 209 K N 1.606 121.992 120.400 -0.023 0.000 2.089 209 K HA -0.207 4.112 4.320 -0.000 0.000 0.210 209 K C 1.483 178.076 176.600 -0.012 0.000 1.048 209 K CA 2.099 58.374 56.287 -0.019 0.000 0.926 209 K CB 0.245 32.735 32.500 -0.016 0.000 0.714 209 K HN 0.491 nan 8.250 nan 0.000 0.448 210 S N -0.431 115.263 115.700 -0.009 0.000 2.344 210 S HA -0.123 4.346 4.470 -0.000 0.000 0.217 210 S C 1.824 176.420 174.600 -0.006 0.000 1.033 210 S CA 1.911 60.107 58.200 -0.006 0.000 1.017 210 S CB -0.413 62.784 63.200 -0.005 0.000 0.941 210 S HN 0.484 nan 8.310 nan 0.000 0.430 211 T N 3.138 117.687 114.554 -0.009 0.000 2.635 211 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 211 T C 1.707 176.403 174.700 -0.007 0.000 1.040 211 T CA 1.246 63.342 62.100 -0.008 0.000 1.156 211 T CB -0.511 68.351 68.868 -0.010 0.000 0.863 211 T HN 0.115 nan 8.240 nan 0.000 0.430 212 L N 1.295 122.511 121.223 -0.013 0.000 2.089 212 L HA -0.153 4.187 4.340 -0.000 0.000 0.213 212 L C 2.518 179.385 176.870 -0.005 0.000 1.079 212 L CA 1.707 56.539 54.840 -0.014 0.000 0.758 212 L CB -1.295 40.751 42.059 -0.023 0.000 0.891 212 L HN 0.423 nan 8.230 nan 0.000 0.433 213 Q N -1.459 118.340 119.800 -0.002 0.000 2.172 213 Q HA -0.213 4.127 4.340 -0.000 0.000 0.200 213 Q C 2.079 178.085 176.000 0.011 0.000 0.964 213 Q CA 1.136 56.942 55.803 0.005 0.000 0.855 213 Q CB 0.034 28.775 28.738 0.006 0.000 0.918 213 Q HN 0.340 nan 8.270 nan 0.000 0.444 214 E N 0.371 120.575 120.200 0.007 0.000 2.072 214 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 214 E C 1.836 178.445 176.600 0.016 0.000 0.985 214 E CA 0.851 57.256 56.400 0.008 0.000 0.801 214 E CB -0.097 29.605 29.700 0.002 0.000 0.750 214 E HN 0.091 nan 8.360 nan 0.000 0.452 215 V N 0.950 120.873 119.914 0.016 0.000 2.407 215 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 215 V C 2.353 178.478 176.094 0.052 0.000 1.055 215 V CA 1.690 64.005 62.300 0.026 0.000 1.049 215 V CB -0.993 30.836 31.823 0.011 0.000 0.662 215 V HN 0.414 nan 8.190 nan 0.000 0.455 216 A N 0.089 122.937 122.820 0.046 0.000 1.865 216 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 216 A C 2.350 179.986 177.584 0.086 0.000 1.191 216 A CA 2.308 54.392 52.037 0.077 0.000 0.623 216 A CB -0.591 18.436 19.000 0.045 0.000 0.826 216 A HN 0.456 nan 8.150 nan 0.000 0.444 217 R N -1.127 119.398 120.500 0.041 0.000 2.105 217 R HA -0.096 4.244 4.340 -0.000 0.000 0.239 217 R C 2.251 178.555 176.300 0.006 0.000 1.135 217 R CA 1.990 58.099 56.100 0.016 0.000 0.967 217 R CB -0.593 29.714 30.300 0.012 0.000 0.861 217 R HN 0.560 nan 8.270 nan 0.000 0.442 218 T N -0.891 113.679 114.554 0.026 0.000 2.821 218 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 218 T C 1.371 176.085 174.700 0.024 0.000 1.046 218 T CA 1.650 63.762 62.100 0.020 0.000 1.139 218 T CB -0.345 68.542 68.868 0.031 0.000 0.871 218 T HN 0.451 nan 8.240 nan 0.000 0.454 219 H N 1.096 120.154 119.070 -0.021 0.000 2.353 219 H HA 0.094 4.650 4.556 -0.000 0.000 0.300 219 H C 1.995 177.307 175.328 -0.027 0.000 1.090 219 H CA 1.351 57.384 56.048 -0.026 0.000 1.327 219 H CB -0.595 29.151 29.762 -0.027 0.000 1.383 219 H HN 0.263 nan 8.280 nan 0.000 0.508 220 L N -0.025 121.011 121.223 -0.312 0.000 2.056 220 L HA -0.101 4.238 4.340 -0.000 0.000 0.207 220 L C 2.570 179.314 176.870 -0.211 0.000 1.078 220 L CA 1.461 56.105 54.840 -0.327 0.000 0.749 220 L CB -0.393 41.575 42.059 -0.151 0.000 0.901 220 L HN 0.424 nan 8.230 nan 0.000 0.433 221 E N 0.156 120.280 120.200 -0.127 0.000 2.058 221 E HA -0.227 4.122 4.350 -0.000 0.000 0.194 221 E C 2.330 178.872 176.600 -0.098 0.000 0.997 221 E CA 1.171 57.518 56.400 -0.087 0.000 0.801 221 E CB -0.047 29.623 29.700 -0.050 0.000 0.746 221 E HN 0.463 nan 8.360 nan 0.000 0.450 222 L N 0.091 121.249 121.223 -0.108 0.000 2.109 222 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 222 L C 2.537 179.341 176.870 -0.110 0.000 1.086 222 L CA 0.749 55.532 54.840 -0.095 0.000 0.760 222 L CB -0.372 41.647 42.059 -0.067 0.000 0.910 222 L HN 0.131 nan 8.230 nan 0.000 0.437 223 A N 0.178 122.891 122.820 -0.179 0.000 1.930 223 A HA -0.102 4.217 4.320 -0.000 0.000 0.217 223 A C 2.496 180.015 177.584 -0.109 0.000 1.175 223 A CA 1.435 53.380 52.037 -0.153 0.000 0.627 223 A CB -0.564 18.275 19.000 -0.268 0.000 0.815 223 A HN 0.371 nan 8.150 nan 0.000 0.443 224 A N -0.487 122.261 122.820 -0.118 0.000 2.070 224 A HA -0.009 4.311 4.320 -0.000 0.000 0.220 224 A C 1.888 179.436 177.584 -0.060 0.000 1.159 224 A CA 1.409 53.398 52.037 -0.081 0.000 0.656 224 A CB -0.513 18.440 19.000 -0.078 0.000 0.800 224 A HN 0.513 nan 8.150 nan 0.000 0.453 225 I N -2.230 118.303 120.570 -0.063 0.000 3.783 225 I HA 0.167 4.337 4.170 -0.000 0.000 0.310 225 I C 1.661 177.752 176.117 -0.043 0.000 1.274 225 I CA 0.830 62.100 61.300 -0.051 0.000 1.294 225 I CB 0.348 38.313 38.000 -0.059 0.000 1.051 225 I HN 0.469 nan 8.210 nan 0.000 0.435 226 G N 0.884 109.657 108.800 -0.044 0.000 2.255 226 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.196 226 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.196 226 G C -0.005 174.877 174.900 -0.031 0.000 0.998 226 G CA -0.669 44.412 45.100 -0.031 0.000 0.656 226 G HN 0.077 nan 8.290 nan 0.000 0.490 227 L N 1.568 122.764 121.223 -0.045 0.000 2.385 227 L HA 0.500 4.840 4.340 -0.000 0.000 0.285 227 L C 1.194 178.060 176.870 -0.008 0.000 1.125 227 L CA 0.557 55.374 54.840 -0.038 0.000 0.890 227 L CB 1.051 43.068 42.059 -0.069 0.000 1.251 227 L HN 0.188 nan 8.230 nan 0.000 0.445 228 K N 1.192 121.601 120.400 0.013 0.000 2.402 228 K HA 0.162 4.482 4.320 -0.000 0.000 0.204 228 K C 0.459 177.090 176.600 0.052 0.000 1.056 228 K CA -0.040 56.268 56.287 0.035 0.000 1.069 228 K CB 0.378 32.890 32.500 0.020 0.000 0.888 228 K HN 0.443 nan 8.250 nan 0.000 0.546 229 N N 2.206 120.945 118.700 0.066 0.000 2.918 229 N HA 0.060 4.799 4.740 -0.000 0.000 0.247 229 N C -1.075 174.527 175.510 0.154 0.000 1.117 229 N CA -0.064 53.052 53.050 0.111 0.000 1.005 229 N CB 0.393 38.960 38.487 0.134 0.000 1.297 229 N HN 0.100 nan 8.380 nan 0.000 0.513 230 Q N 2.015 121.871 119.800 0.092 0.000 2.365 230 Q HA 0.339 4.679 4.340 -0.000 0.000 0.269 230 Q C -1.618 174.370 176.000 -0.019 0.000 1.061 230 Q CA -0.679 55.185 55.803 0.102 0.000 0.816 230 Q CB 2.155 30.942 28.738 0.082 0.000 1.325 230 Q HN 0.445 nan 8.270 nan 0.000 0.446 231 Y N 0.802 121.076 120.300 -0.043 0.000 2.425 231 Y HA 0.469 5.019 4.550 -0.000 0.000 0.344 231 Y C -0.815 175.036 175.900 -0.082 0.000 0.969 231 Y CA -1.001 57.075 58.100 -0.040 0.000 1.052 231 Y CB 1.566 40.038 38.460 0.021 0.000 1.215 231 Y HN 0.490 nan 8.280 nan 0.000 0.451 232 L N 3.677 124.919 121.223 0.031 0.000 2.307 232 L HA 0.823 5.163 4.340 -0.000 0.000 0.284 232 L C -1.369 175.486 176.870 -0.024 0.000 1.023 232 L CA -0.624 54.200 54.840 -0.026 0.000 0.810 232 L CB 1.304 43.319 42.059 -0.073 0.000 1.231 232 L HN 0.409 nan 8.230 nan 0.000 0.423 233 V N 7.019 126.890 119.914 -0.072 0.000 2.409 233 V HA 0.399 4.519 4.120 -0.000 0.000 0.290 233 V C 0.003 176.046 176.094 -0.085 0.000 1.017 233 V CA -0.395 61.836 62.300 -0.115 0.000 0.841 233 V CB 1.401 33.048 31.823 -0.293 0.000 1.003 233 V HN 0.627 nan 8.190 nan 0.000 0.426 234 I N 5.298 125.823 120.570 -0.076 0.000 2.322 234 I HA 0.262 4.432 4.170 -0.000 0.000 0.292 234 I C 0.640 176.703 176.117 -0.089 0.000 1.060 234 I CA 0.446 61.700 61.300 -0.076 0.000 1.309 234 I CB 0.317 38.268 38.000 -0.081 0.000 1.415 234 I HN 0.650 nan 8.210 nan 0.000 0.492 235 N N 3.912 122.571 118.700 -0.069 0.000 2.477 235 N HA 0.324 5.064 4.740 -0.000 0.000 0.284 235 N C 0.989 176.476 175.510 -0.038 0.000 1.182 235 N CA 0.317 53.332 53.050 -0.059 0.000 0.949 235 N CB 1.428 39.888 38.487 -0.046 0.000 1.204 235 N HN 0.774 nan 8.380 nan 0.000 0.526 236 G N 0.210 109.002 108.800 -0.014 0.000 2.175 236 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.265 236 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.265 236 G C 0.157 175.085 174.900 0.047 0.000 0.979 236 G CA 0.423 45.537 45.100 0.023 0.000 0.663 236 G HN 0.485 nan 8.290 nan 0.000 0.533 237 V N 1.815 121.735 119.914 0.011 0.000 2.720 237 V HA 0.083 4.203 4.120 -0.000 0.000 0.307 237 V C 1.373 177.599 176.094 0.221 0.000 1.071 237 V CA 0.081 62.406 62.300 0.041 0.000 1.199 237 V CB 1.249 33.013 31.823 -0.099 0.000 0.900 237 V HN 0.390 nan 8.190 nan 0.000 0.494 238 L N 8.631 129.991 121.223 0.228 0.000 2.315 238 L HA 0.352 4.692 4.340 -0.000 0.000 0.283 238 L C -1.842 175.321 176.870 0.487 0.000 1.089 238 L CA -1.412 53.615 54.840 0.313 0.000 0.833 238 L CB 1.455 43.673 42.059 0.265 0.000 1.170 238 L HN 0.511 nan 8.230 nan 0.000 0.442 239 P HA 0.004 nan 4.420 nan 0.000 0.267 239 P C 0.274 177.677 177.300 0.173 0.000 1.209 239 P CA -0.119 63.121 63.100 0.234 0.000 0.763 239 P CB 0.808 32.408 31.700 -0.168 0.000 0.816 240 K N 3.076 123.578 120.400 0.171 0.000 2.059 240 K HA -0.232 4.088 4.320 -0.000 0.000 0.212 240 K C 1.846 178.159 176.600 -0.479 0.000 1.050 240 K CA 2.621 58.555 56.287 -0.588 0.000 0.927 240 K CB -0.815 31.414 32.500 -0.450 0.000 0.714 240 K HN 0.587 nan 8.250 nan 0.000 0.447 241 T N -0.754 113.649 114.554 -0.251 0.000 2.684 241 T HA -0.263 4.087 4.350 -0.000 0.000 0.267 241 T C 1.733 176.325 174.700 -0.180 0.000 1.032 241 T CA 2.078 64.058 62.100 -0.199 0.000 1.155 241 T CB -0.442 68.338 68.868 -0.146 0.000 0.857 241 T HN 0.410 nan 8.240 nan 0.000 0.457 242 E N 1.259 121.375 120.200 -0.140 0.000 2.338 242 E HA 0.210 4.560 4.350 -0.000 0.000 0.197 242 E C 2.057 178.602 176.600 -0.092 0.000 1.007 242 E CA 0.823 57.175 56.400 -0.081 0.000 0.849 242 E CB -0.762 28.931 29.700 -0.012 0.000 0.774 242 E HN 0.763 nan 8.360 nan 0.000 0.506 243 A N -0.088 122.614 122.820 -0.196 0.000 2.239 243 A HA 0.307 4.627 4.320 -0.000 0.000 0.209 243 A C 1.037 178.532 177.584 -0.147 0.000 1.171 243 A CA 0.618 52.552 52.037 -0.171 0.000 0.768 243 A CB -0.413 18.361 19.000 -0.377 0.000 0.790 243 A HN 0.223 nan 8.150 nan 0.000 0.478 244 A N 0.999 123.735 122.820 -0.141 0.000 2.347 244 A HA 0.472 4.792 4.320 -0.000 0.000 0.287 244 A C 0.765 178.312 177.584 -0.062 0.000 1.199 244 A CA -0.132 51.842 52.037 -0.105 0.000 0.851 244 A CB -0.328 18.607 19.000 -0.108 0.000 1.118 244 A HN 0.719 nan 8.150 nan 0.000 0.525 245 N N 1.927 120.600 118.700 -0.046 0.000 2.753 245 N HA -0.146 4.594 4.740 -0.000 0.000 0.252 245 N C -1.189 174.312 175.510 -0.015 0.000 1.071 245 N CA 1.155 54.189 53.050 -0.027 0.000 0.690 245 N CB -0.603 37.868 38.487 -0.027 0.000 0.906 245 N HN 0.872 nan 8.380 nan 0.000 0.552 246 D N -0.346 120.050 120.400 -0.008 0.000 2.414 246 D HA 0.093 4.733 4.640 -0.000 0.000 0.187 246 D C 0.926 177.237 176.300 0.019 0.000 1.255 246 D CA 0.042 54.046 54.000 0.006 0.000 0.825 246 D CB 0.766 41.571 40.800 0.009 0.000 1.912 246 D HN 0.133 nan 8.370 nan 0.000 0.530 247 T N 2.454 117.021 114.554 0.022 0.000 2.684 247 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 247 T C 1.887 176.612 174.700 0.042 0.000 1.036 247 T CA 1.033 63.151 62.100 0.030 0.000 1.148 247 T CB 0.041 68.924 68.868 0.025 0.000 0.863 247 T HN 0.345 nan 8.240 nan 0.000 0.436 248 L N 1.396 122.643 121.223 0.040 0.000 1.976 248 L HA 0.091 4.431 4.340 -0.000 0.000 0.209 248 L C 2.718 179.628 176.870 0.067 0.000 1.071 248 L CA 2.062 56.931 54.840 0.048 0.000 0.746 248 L CB -1.177 40.906 42.059 0.040 0.000 0.890 248 L HN 0.238 nan 8.230 nan 0.000 0.432 249 A N -0.616 122.243 122.820 0.065 0.000 1.908 249 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 249 A C 2.407 180.074 177.584 0.138 0.000 1.181 249 A CA 2.036 54.127 52.037 0.090 0.000 0.627 249 A CB -1.223 17.812 19.000 0.059 0.000 0.818 249 A HN 0.599 nan 8.150 nan 0.000 0.445 250 A N -0.393 122.489 122.820 0.103 0.000 1.930 250 A HA 0.227 4.547 4.320 -0.000 0.000 0.217 250 A C 2.469 180.175 177.584 0.204 0.000 1.175 250 A CA 1.896 54.015 52.037 0.136 0.000 0.627 250 A CB -0.872 18.166 19.000 0.063 0.000 0.815 250 A HN 1.014 nan 8.150 nan 0.000 0.443 251 A N -0.106 122.795 122.820 0.136 0.000 1.898 251 A HA -0.000 4.319 4.320 -0.000 0.000 0.216 251 A C 2.111 179.765 177.584 0.116 0.000 1.181 251 A CA 1.360 53.465 52.037 0.115 0.000 0.620 251 A CB -0.517 18.527 19.000 0.073 0.000 0.819 251 A HN 0.477 nan 8.150 nan 0.000 0.442 252 I N -2.548 118.096 120.570 0.123 0.000 2.163 252 I HA -0.262 3.907 4.170 -0.000 0.000 0.240 252 I C 2.407 178.595 176.117 0.119 0.000 1.081 252 I CA 1.585 62.945 61.300 0.100 0.000 1.353 252 I CB -0.409 37.651 38.000 0.100 0.000 1.054 252 I HN 0.681 nan 8.210 nan 0.000 0.407 253 W N 2.144 123.462 121.300 0.030 0.000 2.313 253 W HA -0.297 4.363 4.660 -0.000 0.000 0.293 253 W C 2.472 179.010 176.519 0.032 0.000 1.216 253 W CA 2.246 59.613 57.345 0.037 0.000 1.223 253 W CB -0.103 29.379 29.460 0.038 0.000 1.138 253 W HN 0.174 nan 8.180 nan 0.000 0.535 254 E N -0.166 120.139 120.200 0.175 0.000 2.072 254 E HA -0.254 4.096 4.350 -0.000 0.000 0.191 254 E C 2.395 178.932 176.600 -0.105 0.000 0.985 254 E CA 1.298 57.722 56.400 0.040 0.000 0.801 254 E CB -0.358 29.433 29.700 0.153 0.000 0.750 254 E HN 0.255 nan 8.360 nan 0.000 0.452 255 R N 0.428 120.893 120.500 -0.058 0.000 2.090 255 R HA -0.123 4.216 4.340 -0.000 0.000 0.228 255 R C 2.032 178.259 176.300 -0.122 0.000 1.110 255 R CA 1.533 57.593 56.100 -0.067 0.000 0.973 255 R CB 0.013 30.297 30.300 -0.026 0.000 0.869 255 R HN 0.229 nan 8.270 nan 0.000 0.440 256 E N 0.128 120.230 120.200 -0.164 0.000 2.051 256 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 256 E C 2.093 178.530 176.600 -0.271 0.000 0.991 256 E CA 0.984 57.269 56.400 -0.191 0.000 0.799 256 E CB -0.080 29.504 29.700 -0.194 0.000 0.748 256 E HN 0.224 nan 8.360 nan 0.000 0.449 257 Q N 1.017 120.539 119.800 -0.463 0.000 2.062 257 Q HA -0.238 4.102 4.340 -0.000 0.000 0.209 257 Q C 1.914 177.757 176.000 -0.263 0.000 0.996 257 Q CA 1.783 57.286 55.803 -0.501 0.000 0.859 257 Q CB -0.443 27.797 28.738 -0.829 0.000 0.920 257 Q HN 0.362 nan 8.270 nan 0.000 0.415 258 E N -0.734 119.347 120.200 -0.198 0.000 2.021 258 E HA -0.260 4.090 4.350 -0.000 0.000 0.200 258 E C 1.787 178.327 176.600 -0.100 0.000 1.015 258 E CA 1.433 57.764 56.400 -0.114 0.000 0.824 258 E CB -0.262 29.392 29.700 -0.078 0.000 0.762 258 E HN 0.338 nan 8.360 nan 0.000 0.454 259 A N 1.602 124.363 122.820 -0.099 0.000 1.958 259 A HA -0.207 4.113 4.320 -0.000 0.000 0.221 259 A C 2.230 179.764 177.584 -0.084 0.000 1.178 259 A CA 1.522 53.512 52.037 -0.079 0.000 0.642 259 A CB -0.771 18.184 19.000 -0.074 0.000 0.816 259 A HN 0.481 nan 8.150 nan 0.000 0.453 260 L N -0.790 120.366 121.223 -0.112 0.000 2.131 260 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 260 L C 2.445 179.268 176.870 -0.077 0.000 1.092 260 L CA 2.368 57.148 54.840 -0.101 0.000 0.759 260 L CB -1.197 40.783 42.059 -0.131 0.000 0.903 260 L HN 0.409 nan 8.230 nan 0.000 0.435 261 A N -0.826 121.947 122.820 -0.078 0.000 2.132 261 A HA 0.026 4.346 4.320 -0.000 0.000 0.213 261 A C 1.025 178.583 177.584 -0.043 0.000 1.154 261 A CA 0.296 52.300 52.037 -0.054 0.000 0.753 261 A CB -0.152 18.818 19.000 -0.051 0.000 0.826 261 A HN 0.547 nan 8.150 nan 0.000 0.469 262 N N 0.780 119.452 118.700 -0.046 0.000 2.610 262 N HA 0.278 5.018 4.740 -0.000 0.000 0.309 262 N C -0.723 174.766 175.510 -0.035 0.000 1.536 262 N CA -0.092 52.937 53.050 -0.035 0.000 0.954 262 N CB 0.442 38.910 38.487 -0.032 0.000 1.310 262 N HN 0.354 nan 8.380 nan 0.000 0.502 263 L N 1.876 123.076 121.223 -0.039 0.000 2.514 263 L HA 0.108 4.448 4.340 -0.000 0.000 0.280 263 L C -1.415 175.437 176.870 -0.030 0.000 1.223 263 L CA -1.006 53.811 54.840 -0.039 0.000 0.864 263 L CB -0.260 41.772 42.059 -0.046 0.000 1.118 263 L HN -0.031 nan 8.230 nan 0.000 0.494 264 P HA -0.054 nan 4.420 nan 0.000 0.265 264 P C 0.360 177.652 177.300 -0.014 0.000 1.193 264 P CA 0.022 63.114 63.100 -0.014 0.000 0.765 264 P CB 0.900 32.596 31.700 -0.007 0.000 0.823 265 A N 4.595 127.410 122.820 -0.008 0.000 1.929 265 A HA -0.279 4.041 4.320 -0.000 0.000 0.221 265 A C 1.749 179.333 177.584 -0.001 0.000 1.211 265 A CA 2.299 54.332 52.037 -0.006 0.000 0.657 265 A CB -1.249 17.750 19.000 -0.002 0.000 0.827 265 A HN 0.580 nan 8.150 nan 0.000 0.462 266 D N -0.536 119.876 120.400 0.021 0.000 2.309 266 D HA -0.064 4.576 4.640 -0.000 0.000 0.212 266 D C 1.518 177.824 176.300 0.011 0.000 0.968 266 D CA 0.986 55.025 54.000 0.064 0.000 0.882 266 D CB -0.138 40.739 40.800 0.128 0.000 0.918 266 D HN 0.553 nan 8.370 nan 0.000 0.503 267 L N -0.025 121.167 121.223 -0.051 0.000 2.616 267 L HA 0.231 4.571 4.340 -0.000 0.000 0.229 267 L C 2.286 179.083 176.870 -0.121 0.000 1.110 267 L CA -0.042 54.713 54.840 -0.142 0.000 0.884 267 L CB 0.095 42.090 42.059 -0.106 0.000 1.115 267 L HN -0.126 nan 8.230 nan 0.000 0.481 268 A N 0.699 123.474 122.820 -0.076 0.000 2.015 268 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 268 A C 2.225 179.766 177.584 -0.072 0.000 1.163 268 A CA 1.619 53.618 52.037 -0.063 0.000 0.646 268 A CB -0.709 18.267 19.000 -0.041 0.000 0.806 268 A HN 0.403 nan 8.150 nan 0.000 0.448 269 G N -1.240 107.511 108.800 -0.082 0.000 2.712 269 G HA2 0.342 4.302 3.960 -0.000 0.000 0.212 269 G HA3 0.342 4.302 3.960 -0.000 0.000 0.212 269 G C 0.321 175.144 174.900 -0.128 0.000 1.142 269 G CA -0.076 44.974 45.100 -0.083 0.000 0.789 269 G HN 0.294 nan 8.290 nan 0.000 0.535 270 L N 1.825 122.941 121.223 -0.178 0.000 2.371 270 L HA 0.343 4.683 4.340 -0.000 0.000 0.272 270 L C -1.834 174.918 176.870 -0.198 0.000 1.124 270 L CA -2.399 52.301 54.840 -0.233 0.000 0.816 270 L CB 0.943 42.824 42.059 -0.297 0.000 1.129 270 L HN -0.091 nan 8.230 nan 0.000 0.448 271 P HA 0.090 nan 4.420 nan 0.000 0.266 271 P C -0.884 176.384 177.300 -0.053 0.000 1.215 271 P CA -0.108 62.885 63.100 -0.179 0.000 0.763 271 P CB 0.246 31.727 31.700 -0.366 0.000 0.806 272 T N 3.295 117.848 114.554 -0.002 0.000 2.807 272 T HA 0.395 4.745 4.350 -0.000 0.000 0.279 272 T C -0.470 174.265 174.700 0.059 0.000 0.993 272 T CA -0.464 61.645 62.100 0.015 0.000 0.970 272 T CB 1.452 70.305 68.868 -0.026 0.000 0.950 272 T HN 0.319 nan 8.240 nan 0.000 0.441 273 D N 1.587 122.030 120.400 0.072 0.000 2.477 273 D HA 0.598 5.238 4.640 -0.000 0.000 0.234 273 D C -0.368 175.931 176.300 -0.002 0.000 1.048 273 D CA -0.382 53.671 54.000 0.088 0.000 0.959 273 D CB 2.417 43.361 40.800 0.241 0.000 1.408 273 D HN 0.632 nan 8.370 nan 0.000 0.496 274 T N -1.485 113.032 114.554 -0.062 0.000 2.893 274 T HA 0.711 5.061 4.350 -0.000 0.000 0.293 274 T C -0.649 173.901 174.700 -0.249 0.000 1.027 274 T CA -0.800 61.193 62.100 -0.178 0.000 0.988 274 T CB 0.880 69.584 68.868 -0.275 0.000 1.043 274 T HN 0.210 nan 8.240 nan 0.000 0.461 275 L N 2.724 123.811 121.223 -0.227 0.000 2.346 275 L HA 0.611 4.951 4.340 -0.000 0.000 0.276 275 L C -0.626 176.112 176.870 -0.220 0.000 1.006 275 L CA -1.135 53.605 54.840 -0.167 0.000 0.817 275 L CB 1.444 43.486 42.059 -0.027 0.000 1.272 275 L HN 0.597 nan 8.230 nan 0.000 0.421 276 F N 2.054 122.036 119.950 0.054 0.000 2.389 276 F HA 0.237 4.764 4.527 -0.000 0.000 0.337 276 F C 0.398 176.223 175.800 0.040 0.000 1.112 276 F CA -0.418 57.613 58.000 0.052 0.000 1.192 276 F CB 0.883 39.917 39.000 0.057 0.000 1.185 276 F HN 0.256 nan 8.300 nan 0.000 0.552 277 L N 4.256 125.631 121.223 0.252 0.000 2.513 277 L HA 0.110 4.450 4.340 -0.000 0.000 0.272 277 L C -0.223 176.726 176.870 0.133 0.000 1.187 277 L CA 0.096 55.025 54.840 0.147 0.000 0.895 277 L CB 0.006 42.142 42.059 0.129 0.000 1.147 277 L HN 0.438 nan 8.230 nan 0.000 0.483 278 Q N 7.029 126.883 119.800 0.089 0.000 2.227 278 Q HA 0.342 4.682 4.340 -0.000 0.000 0.245 278 Q C -1.783 174.243 176.000 0.044 0.000 0.926 278 Q CA -1.750 54.093 55.803 0.066 0.000 0.895 278 Q CB 0.840 29.608 28.738 0.050 0.000 1.230 278 Q HN 0.529 nan 8.270 nan 0.000 0.450 279 P HA -0.046 nan 4.420 nan 0.000 0.219 279 P C 0.202 177.512 177.300 0.016 0.000 1.150 279 P CA 0.739 63.853 63.100 0.023 0.000 0.814 279 P CB 0.553 32.262 31.700 0.015 0.000 0.787 280 V N 1.039 120.960 119.914 0.012 0.000 2.680 280 V HA 0.261 4.380 4.120 -0.000 0.000 0.309 280 V C -0.002 176.092 176.094 0.001 0.000 1.052 280 V CA -0.971 61.332 62.300 0.005 0.000 0.908 280 V CB 1.595 33.418 31.823 0.001 0.000 1.001 280 V HN -0.087 nan 8.190 nan 0.000 0.431 281 N N 3.439 122.137 118.700 -0.003 0.000 2.434 281 N HA 0.167 4.907 4.740 -0.000 0.000 0.268 281 N C -0.166 175.330 175.510 -0.024 0.000 1.256 281 N CA -0.074 52.969 53.050 -0.011 0.000 0.914 281 N CB 0.429 38.909 38.487 -0.011 0.000 1.088 281 N HN 0.531 nan 8.380 nan 0.000 0.478 282 M N 1.581 121.162 119.600 -0.032 0.000 2.338 282 M HA -0.070 4.409 4.480 -0.000 0.000 0.360 282 M C 1.447 177.703 176.300 -0.073 0.000 1.547 282 M CA 0.427 55.697 55.300 -0.050 0.000 1.001 282 M CB 0.192 32.756 32.600 -0.060 0.000 2.008 282 M HN 0.365 nan 8.290 nan 0.000 0.464 283 V N 2.366 122.238 119.914 -0.070 0.000 3.612 283 V HA 0.540 4.660 4.120 -0.000 0.000 0.268 283 V C 0.642 176.671 176.094 -0.108 0.000 1.365 283 V CA 1.229 63.480 62.300 -0.082 0.000 1.044 283 V CB 0.424 32.217 31.823 -0.050 0.000 0.820 283 V HN 0.871 nan 8.190 nan 0.000 0.444 284 G N -1.137 107.607 108.800 -0.094 0.000 3.022 284 G HA2 0.446 4.406 3.960 -0.000 0.000 0.284 284 G HA3 0.446 4.406 3.960 -0.000 0.000 0.284 284 G C 0.314 175.164 174.900 -0.083 0.000 1.375 284 G CA 0.428 45.475 45.100 -0.089 0.000 0.902 284 G HN -0.076 nan 8.290 nan 0.000 0.538 285 V N 0.465 120.365 119.914 -0.023 0.000 2.343 285 V HA -0.150 3.969 4.120 -0.000 0.000 0.247 285 V C 3.019 179.121 176.094 0.013 0.000 1.051 285 V CA 2.606 64.918 62.300 0.021 0.000 1.036 285 V CB -0.611 31.265 31.823 0.087 0.000 0.654 285 V HN 0.635 nan 8.190 nan 0.000 0.451 286 S N 0.737 116.443 115.700 0.010 0.000 2.353 286 S HA -0.203 4.266 4.470 -0.000 0.000 0.222 286 S C 2.267 176.869 174.600 0.003 0.000 1.035 286 S CA 1.527 59.733 58.200 0.010 0.000 1.025 286 S CB -0.632 62.573 63.200 0.008 0.000 0.902 286 S HN 0.656 nan 8.310 nan 0.000 0.440 287 A N 1.744 124.557 122.820 -0.010 0.000 1.858 287 A HA -0.021 4.298 4.320 -0.000 0.000 0.216 287 A C 2.194 179.768 177.584 -0.016 0.000 1.190 287 A CA 1.299 53.328 52.037 -0.014 0.000 0.617 287 A CB -0.911 18.072 19.000 -0.029 0.000 0.827 287 A HN 0.434 nan 8.150 nan 0.000 0.443 288 L N -0.221 120.980 121.223 -0.037 0.000 2.042 288 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 288 L C 2.779 179.650 176.870 0.002 0.000 1.076 288 L CA 1.626 56.443 54.840 -0.037 0.000 0.749 288 L CB -0.493 41.522 42.059 -0.073 0.000 0.893 288 L HN 0.344 nan 8.230 nan 0.000 0.432 289 S N -0.800 114.908 115.700 0.014 0.000 2.423 289 S HA -0.157 4.313 4.470 -0.000 0.000 0.231 289 S C 1.990 176.612 174.600 0.036 0.000 1.014 289 S CA 0.830 59.048 58.200 0.029 0.000 0.965 289 S CB -0.253 62.965 63.200 0.030 0.000 0.785 289 S HN 0.327 nan 8.310 nan 0.000 0.495 290 R N 0.924 121.443 120.500 0.032 0.000 2.148 290 R HA 0.107 4.446 4.340 -0.000 0.000 0.227 290 R C 2.120 178.460 176.300 0.067 0.000 1.103 290 R CA 0.603 56.730 56.100 0.044 0.000 0.983 290 R CB -0.283 30.037 30.300 0.033 0.000 0.874 290 R HN 0.365 nan 8.270 nan 0.000 0.451 291 L N 0.425 121.684 121.223 0.059 0.000 2.131 291 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 291 L C 0.987 177.919 176.870 0.103 0.000 1.092 291 L CA 0.891 55.776 54.840 0.075 0.000 0.759 291 L CB 0.002 42.088 42.059 0.045 0.000 0.903 291 L HN 0.269 nan 8.230 nan 0.000 0.435 292 L N -0.298 120.983 121.223 0.097 0.000 2.612 292 L HA 0.077 4.417 4.340 -0.000 0.000 0.230 292 L C 1.409 178.345 176.870 0.109 0.000 1.140 292 L CA 0.303 55.210 54.840 0.111 0.000 0.896 292 L CB -1.883 40.223 42.059 0.079 0.000 1.065 292 L HN 0.249 nan 8.230 nan 0.000 0.447 293 S N -0.469 115.306 115.700 0.125 0.000 2.568 293 S HA 0.070 4.539 4.470 -0.000 0.000 0.282 293 S C 1.400 176.125 174.600 0.208 0.000 1.338 293 S CA 0.228 58.512 58.200 0.140 0.000 1.045 293 S CB 0.738 64.018 63.200 0.133 0.000 0.873 293 S HN 0.447 nan 8.310 nan 0.000 0.516 294 T N -0.861 113.802 114.554 0.181 0.000 3.065 294 T HA 0.226 4.576 4.350 -0.000 0.000 0.252 294 T C 0.281 175.164 174.700 0.304 0.000 1.099 294 T CA -0.025 62.210 62.100 0.225 0.000 1.063 294 T CB -0.343 68.608 68.868 0.138 0.000 0.948 294 T HN 0.758 nan 8.240 nan 0.000 0.506 295 Q N 1.224 121.137 119.800 0.190 0.000 2.359 295 Q HA 0.497 4.837 4.340 -0.000 0.000 0.274 295 Q C -2.817 173.114 176.000 -0.116 0.000 1.074 295 Q CA -2.261 53.555 55.803 0.021 0.000 0.810 295 Q CB 1.914 30.655 28.738 0.005 0.000 1.342 295 Q HN 0.085 nan 8.270 nan 0.000 0.427 310 P HA 0.076 nan 4.420 nan 0.000 0.268 310 P C -0.616 176.685 177.300 0.000 0.000 1.205 310 P CA -0.131 62.970 63.100 0.002 0.000 0.771 310 P CB 0.817 32.520 31.700 0.004 0.000 0.858 311 D N 2.546 122.943 120.400 -0.004 0.000 2.517 311 D HA 0.305 4.945 4.640 -0.000 0.000 0.220 311 D C -0.611 175.683 176.300 -0.010 0.000 1.158 311 D CA -0.156 53.841 54.000 -0.005 0.000 0.992 311 D CB -0.865 39.931 40.800 -0.007 0.000 1.058 311 D HN 0.250 nan 8.370 nan 0.000 0.516 312 I N 3.250 123.815 120.570 -0.008 0.000 2.533 312 I HA 0.342 4.511 4.170 -0.000 0.000 0.290 312 I C -1.955 174.155 176.117 -0.011 0.000 1.056 312 I CA -2.291 59.003 61.300 -0.010 0.000 1.057 312 I CB 2.155 40.153 38.000 -0.003 0.000 1.240 312 I HN 0.157 nan 8.210 nan 0.000 0.423 313 P HA 0.087 nan 4.420 nan 0.000 0.270 313 P C -0.359 176.928 177.300 -0.021 0.000 1.227 313 P CA -0.312 62.777 63.100 -0.018 0.000 0.788 313 P CB 0.456 32.150 31.700 -0.011 0.000 0.926 314 S N 0.826 116.501 115.700 -0.042 0.000 2.624 314 S HA 0.139 4.609 4.470 -0.000 0.000 0.263 314 S C 1.205 175.792 174.600 -0.022 0.000 1.287 314 S CA -0.643 57.529 58.200 -0.047 0.000 0.990 314 S CB 0.062 63.201 63.200 -0.102 0.000 0.950 314 S HN 0.457 nan 8.310 nan 0.000 0.561 315 L N 1.005 122.219 121.223 -0.015 0.000 2.131 315 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 315 L C 2.614 179.479 176.870 -0.009 0.000 1.092 315 L CA 1.308 56.150 54.840 0.002 0.000 0.759 315 L CB -0.748 41.311 42.059 -0.000 0.000 0.903 315 L HN 0.892 nan 8.230 nan 0.000 0.435 316 S N -0.203 115.474 115.700 -0.038 0.000 2.370 316 S HA -0.229 4.241 4.470 -0.000 0.000 0.226 316 S C 2.066 176.641 174.600 -0.041 0.000 1.033 316 S CA 1.310 59.471 58.200 -0.065 0.000 1.011 316 S CB -0.244 62.898 63.200 -0.096 0.000 0.852 316 S HN 0.643 nan 8.310 nan 0.000 0.457 317 A N 1.062 123.876 122.820 -0.009 0.000 1.902 317 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 317 A C 2.127 179.756 177.584 0.075 0.000 1.181 317 A CA 1.202 53.263 52.037 0.039 0.000 0.623 317 A CB -0.674 18.342 19.000 0.028 0.000 0.818 317 A HN 0.472 nan 8.150 nan 0.000 0.443 318 L N -0.410 120.862 121.223 0.081 0.000 2.056 318 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 318 L C 2.539 179.519 176.870 0.183 0.000 1.078 318 L CA 1.113 56.062 54.840 0.182 0.000 0.749 318 L CB -0.385 41.786 42.059 0.187 0.000 0.901 318 L HN 0.290 nan 8.230 nan 0.000 0.433 319 V N -0.615 119.333 119.914 0.057 0.000 2.343 319 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 319 V C 2.085 178.162 176.094 -0.027 0.000 1.051 319 V CA 1.725 64.005 62.300 -0.033 0.000 1.036 319 V CB -0.633 31.140 31.823 -0.082 0.000 0.654 319 V HN 0.410 nan 8.190 nan 0.000 0.451 320 D N 0.809 121.211 120.400 0.003 0.000 2.177 320 D HA -0.210 4.430 4.640 -0.000 0.000 0.189 320 D C 1.913 178.272 176.300 0.098 0.000 1.002 320 D CA 1.952 55.978 54.000 0.044 0.000 0.845 320 D CB -0.479 40.384 40.800 0.106 0.000 0.960 320 D HN 0.456 nan 8.370 nan 0.000 0.447 321 D N -0.019 120.481 120.400 0.168 0.000 2.219 321 D HA -0.070 4.570 4.640 -0.000 0.000 0.205 321 D C 2.293 178.687 176.300 0.156 0.000 0.970 321 D CA 0.277 54.418 54.000 0.234 0.000 0.851 321 D CB -0.110 40.931 40.800 0.402 0.000 0.943 321 D HN 0.334 nan 8.370 nan 0.000 0.488 322 I N 1.259 121.856 120.570 0.044 0.000 2.394 322 I HA -0.186 3.983 4.170 -0.000 0.000 0.251 322 I C 2.500 178.544 176.117 -0.121 0.000 1.136 322 I CA 0.554 61.733 61.300 -0.201 0.000 1.425 322 I CB -0.190 37.630 38.000 -0.299 0.000 1.079 322 I HN -0.088 nan 8.210 nan 0.000 0.425 323 A N 0.970 123.702 122.820 -0.147 0.000 1.933 323 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 323 A C 2.321 179.846 177.584 -0.099 0.000 1.175 323 A CA 1.261 53.162 52.037 -0.227 0.000 0.628 323 A CB -0.559 18.374 19.000 -0.111 0.000 0.814 323 A HN 0.297 nan 8.150 nan 0.000 0.444 324 R N 0.558 121.059 120.500 0.002 0.000 2.190 324 R HA -0.220 4.120 4.340 -0.000 0.000 0.255 324 R C 0.777 177.057 176.300 -0.033 0.000 1.143 324 R CA 1.812 57.928 56.100 0.027 0.000 0.965 324 R CB -0.510 29.824 30.300 0.056 0.000 0.889 324 R HN 0.826 nan 8.270 nan 0.000 0.448 325 N N 0.288 118.933 118.700 -0.092 0.000 2.295 325 N HA -0.008 4.732 4.740 -0.000 0.000 0.221 325 N C -0.431 174.822 175.510 -0.429 0.000 1.129 325 N CA 0.208 53.131 53.050 -0.213 0.000 0.836 325 N CB 0.469 38.834 38.487 -0.203 0.000 1.040 325 N HN 0.276 nan 8.380 nan 0.000 0.494 326 E N -0.437 119.540 120.200 -0.371 0.000 3.562 326 E HA -0.288 4.062 4.350 -0.000 0.000 0.298 326 E C -0.287 175.740 176.600 -0.954 0.000 0.830 326 E CA 1.731 57.831 56.400 -0.501 0.000 1.013 326 E CB -1.440 28.139 29.700 -0.201 0.000 1.510 326 E HN 0.940 nan 8.360 nan 0.000 0.463 327 H N -3.292 115.096 119.070 -1.135 0.000 2.902 327 H HA 0.664 5.220 4.556 -0.000 0.000 0.297 327 H C 0.047 174.906 175.328 -0.782 0.000 1.406 327 H CA -1.015 54.296 56.048 -1.229 0.000 1.134 327 H CB 1.655 31.081 29.762 -0.560 0.000 1.833 327 H HN 0.290 nan 8.280 nan 0.000 0.527 328 G N 0.007 108.634 108.800 -0.287 0.000 2.340 328 G HA2 0.243 4.202 3.960 -0.000 0.000 0.527 328 G HA3 0.243 4.202 3.960 -0.000 0.000 0.527 328 G C -2.298 172.586 174.900 -0.027 0.000 1.381 328 G CA -0.566 44.468 45.100 -0.110 0.000 1.001 328 G HN 0.587 nan 8.290 nan 0.000 0.626 329 L N 0.860 122.056 121.223 -0.046 0.000 2.257 329 L HA 0.801 5.141 4.340 -0.000 0.000 0.290 329 L C -0.035 176.820 176.870 -0.024 0.000 1.044 329 L CA -0.968 53.853 54.840 -0.032 0.000 0.810 329 L CB 0.594 42.630 42.059 -0.038 0.000 1.193 329 L HN 0.446 nan 8.230 nan 0.000 0.425 330 I N 6.301 126.862 120.570 -0.016 0.000 2.355 330 I HA 0.384 4.554 4.170 -0.000 0.000 0.288 330 I C -0.307 175.800 176.117 -0.017 0.000 0.999 330 I CA -0.214 61.065 61.300 -0.035 0.000 1.163 330 I CB 1.221 39.189 38.000 -0.054 0.000 1.316 330 I HN 0.509 nan 8.210 nan 0.000 0.454 331 M N 6.980 126.586 119.600 0.008 0.000 2.181 331 M HA 0.420 4.900 4.480 -0.000 0.000 0.323 331 M C -1.139 175.177 176.300 0.026 0.000 1.004 331 M CA -0.846 54.471 55.300 0.030 0.000 0.941 331 M CB 1.982 34.616 32.600 0.057 0.000 1.579 331 M HN 0.327 nan 8.290 nan 0.000 0.427 332 L N 4.658 125.894 121.223 0.021 0.000 2.276 332 L HA 0.533 4.873 4.340 -0.000 0.000 0.286 332 L C -0.293 176.568 176.870 -0.014 0.000 1.061 332 L CA 0.679 55.521 54.840 0.003 0.000 0.807 332 L CB 0.862 42.921 42.059 0.001 0.000 1.177 332 L HN 0.701 nan 8.230 nan 0.000 0.429 333 M N 1.921 121.488 119.600 -0.056 0.000 2.619 333 M HA 0.864 5.344 4.480 -0.000 0.000 0.297 333 M C 0.008 176.224 176.300 -0.140 0.000 1.229 333 M CA -0.708 54.538 55.300 -0.089 0.000 0.860 333 M CB 2.595 35.135 32.600 -0.100 0.000 1.741 333 M HN 0.648 nan 8.290 nan 0.000 0.462 334 G N 0.814 109.530 108.800 -0.139 0.000 2.352 334 G HA2 0.133 4.093 3.960 -0.000 0.000 0.302 334 G HA3 0.133 4.093 3.960 -0.000 0.000 0.302 334 G C -1.740 173.090 174.900 -0.116 0.000 1.370 334 G CA -1.038 43.964 45.100 -0.164 0.000 0.918 334 G HN 0.453 nan 8.290 nan 0.000 0.610 335 K N -0.272 120.062 120.400 -0.110 0.000 2.156 335 K HA 0.479 4.798 4.320 -0.000 0.000 0.242 335 K C 1.202 177.765 176.600 -0.062 0.000 1.033 335 K CA 0.297 56.536 56.287 -0.079 0.000 0.878 335 K CB 0.105 32.565 32.500 -0.067 0.000 1.057 335 K HN 1.018 nan 8.250 nan 0.000 0.505 336 G N -1.128 107.642 108.800 -0.049 0.000 2.491 336 G HA2 0.353 4.313 3.960 -0.000 0.000 0.242 336 G HA3 0.353 4.313 3.960 -0.000 0.000 0.242 336 G C 0.817 175.698 174.900 -0.032 0.000 1.266 336 G CA 0.203 45.280 45.100 -0.040 0.000 0.844 336 G HN 0.681 nan 8.290 nan 0.000 0.571 337 G N -0.366 108.418 108.800 -0.027 0.000 2.168 337 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.263 337 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.263 337 G C 1.223 176.111 174.900 -0.021 0.000 0.977 337 G CA 1.129 46.217 45.100 -0.020 0.000 0.659 337 G HN 1.949 nan 8.290 nan 0.000 0.533 338 V N -2.856 117.040 119.914 -0.031 0.000 3.129 338 V HA 0.561 4.681 4.120 -0.000 0.000 0.259 338 V C 1.811 177.890 176.094 -0.025 0.000 1.116 338 V CA 1.598 63.879 62.300 -0.032 0.000 1.127 338 V CB 0.011 31.802 31.823 -0.054 0.000 0.742 338 V HN 2.216 nan 8.190 nan 0.000 0.474 339 G N 0.156 108.943 108.800 -0.022 0.000 2.147 339 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.128 339 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.128 339 G C 0.479 175.371 174.900 -0.014 0.000 1.026 339 G CA 0.200 45.292 45.100 -0.014 0.000 0.693 339 G HN 0.454 nan 8.290 nan 0.000 0.499 340 K N -0.245 120.144 120.400 -0.018 0.000 2.026 340 K HA -0.046 4.274 4.320 -0.000 0.000 0.208 340 K C 2.506 179.107 176.600 0.002 0.000 1.048 340 K CA 1.834 58.113 56.287 -0.013 0.000 0.929 340 K CB -0.230 32.261 32.500 -0.015 0.000 0.713 340 K HN 0.275 nan 8.250 nan 0.000 0.439 341 T N 0.712 115.271 114.554 0.008 0.000 2.833 341 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 341 T C 1.861 176.567 174.700 0.010 0.000 1.054 341 T CA 1.608 63.717 62.100 0.016 0.000 1.135 341 T CB -0.224 68.656 68.868 0.021 0.000 0.869 341 T HN 0.283 nan 8.240 nan 0.000 0.466 342 T N 2.208 116.764 114.554 0.004 0.000 2.770 342 T HA 0.025 4.374 4.350 -0.000 0.000 0.263 342 T C 2.048 176.747 174.700 -0.002 0.000 1.039 342 T CA 0.805 62.906 62.100 0.002 0.000 1.142 342 T CB -0.178 68.689 68.868 -0.000 0.000 0.868 342 T HN 0.172 nan 8.240 nan 0.000 0.435 343 M N 1.376 120.974 119.600 -0.003 0.000 2.132 343 M HA 0.096 4.576 4.480 -0.000 0.000 0.263 343 M C 2.826 179.120 176.300 -0.009 0.000 1.065 343 M CA 1.232 56.530 55.300 -0.004 0.000 1.122 343 M CB -1.605 30.995 32.600 -0.001 0.000 1.365 343 M HN 0.302 nan 8.290 nan 0.000 0.411 344 A N 0.340 123.155 122.820 -0.007 0.000 1.908 344 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 344 A C 2.454 180.027 177.584 -0.017 0.000 1.181 344 A CA 2.344 54.372 52.037 -0.015 0.000 0.627 344 A CB -0.959 18.035 19.000 -0.010 0.000 0.818 344 A HN 0.485 nan 8.150 nan 0.000 0.445 345 A N -0.253 122.563 122.820 -0.006 0.000 1.902 345 A HA 0.175 4.495 4.320 -0.000 0.000 0.217 345 A C 2.524 180.101 177.584 -0.011 0.000 1.181 345 A CA 2.108 54.144 52.037 -0.001 0.000 0.623 345 A CB -1.045 17.960 19.000 0.009 0.000 0.818 345 A HN 1.077 nan 8.150 nan 0.000 0.443 346 A N -0.069 122.741 122.820 -0.016 0.000 1.877 346 A HA -0.096 4.223 4.320 -0.000 0.000 0.216 346 A C 2.119 179.682 177.584 -0.036 0.000 1.186 346 A CA 1.581 53.604 52.037 -0.023 0.000 0.620 346 A CB -0.630 18.359 19.000 -0.019 0.000 0.822 346 A HN 0.491 nan 8.150 nan 0.000 0.443 347 I N -0.277 120.268 120.570 -0.043 0.000 2.226 347 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 347 I C 2.896 178.956 176.117 -0.096 0.000 1.100 347 I CA 1.060 62.316 61.300 -0.073 0.000 1.374 347 I CB -0.227 37.729 38.000 -0.075 0.000 1.057 347 I HN 0.356 nan 8.210 nan 0.000 0.413 348 A N 0.079 122.860 122.820 -0.065 0.000 1.969 348 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 348 A C 2.386 179.954 177.584 -0.026 0.000 1.169 348 A CA 1.345 53.352 52.037 -0.050 0.000 0.635 348 A CB -0.695 18.296 19.000 -0.015 0.000 0.810 348 A HN 0.243 nan 8.150 nan 0.000 0.445 349 V N -0.215 119.686 119.914 -0.021 0.000 2.379 349 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 349 V C 2.616 178.700 176.094 -0.017 0.000 1.044 349 V CA 2.149 64.443 62.300 -0.010 0.000 1.036 349 V CB -0.747 31.067 31.823 -0.015 0.000 0.664 349 V HN 0.588 nan 8.190 nan 0.000 0.453 350 R N 0.205 120.683 120.500 -0.035 0.000 2.073 350 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 350 R C 2.011 178.301 176.300 -0.017 0.000 1.134 350 R CA 1.709 57.786 56.100 -0.038 0.000 0.952 350 R CB -0.936 29.327 30.300 -0.061 0.000 0.850 350 R HN 0.291 nan 8.270 nan 0.000 0.433 351 L N 0.343 121.540 121.223 -0.044 0.000 1.971 351 L HA -0.115 4.225 4.340 -0.000 0.000 0.215 351 L C 2.359 179.316 176.870 0.145 0.000 1.072 351 L CA 2.338 57.193 54.840 0.025 0.000 0.758 351 L CB -1.540 40.372 42.059 -0.245 0.000 0.889 351 L HN 0.364 nan 8.230 nan 0.000 0.433 352 A N -0.721 122.144 122.820 0.075 0.000 1.873 352 A HA -0.273 4.046 4.320 -0.000 0.000 0.218 352 A C 2.011 179.612 177.584 0.028 0.000 1.193 352 A CA 2.166 54.245 52.037 0.070 0.000 0.629 352 A CB -0.901 18.128 19.000 0.049 0.000 0.826 352 A HN 0.461 nan 8.150 nan 0.000 0.447 353 D N -0.422 119.986 120.400 0.012 0.000 2.351 353 D HA -0.096 4.544 4.640 -0.000 0.000 0.216 353 D C 1.603 177.885 176.300 -0.030 0.000 0.968 353 D CA 1.366 55.361 54.000 -0.008 0.000 0.899 353 D CB -0.214 40.580 40.800 -0.009 0.000 0.907 353 D HN 0.768 nan 8.370 nan 0.000 0.514 354 M N -3.272 116.308 119.600 -0.033 0.000 2.560 354 M HA 0.398 4.877 4.480 -0.000 0.000 0.297 354 M C 0.904 177.003 176.300 -0.336 0.000 1.201 354 M CA 0.174 55.408 55.300 -0.109 0.000 0.973 354 M CB 0.707 33.300 32.600 -0.012 0.000 1.401 354 M HN -0.070 nan 8.290 nan 0.000 0.497 355 G N 1.164 109.824 108.800 -0.233 0.000 2.159 355 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.256 355 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.256 355 G C -0.388 174.327 174.900 -0.309 0.000 0.977 355 G CA -0.074 44.855 45.100 -0.285 0.000 0.652 355 G HN 0.512 nan 8.290 nan 0.000 0.531 356 F N 0.550 120.552 119.950 0.087 0.000 2.380 356 F HA 0.594 5.121 4.527 -0.000 0.000 0.321 356 F C 0.689 176.585 175.800 0.161 0.000 1.103 356 F CA -1.268 56.836 58.000 0.172 0.000 1.067 356 F CB 0.854 40.041 39.000 0.312 0.000 1.265 356 F HN -0.040 nan 8.300 nan 0.000 0.517 357 D N 0.830 121.487 120.400 0.428 0.000 2.313 357 D HA 0.509 5.149 4.640 -0.000 0.000 0.239 357 D C -1.220 175.270 176.300 0.318 0.000 1.142 357 D CA 0.210 54.366 54.000 0.260 0.000 0.847 357 D CB 0.824 41.724 40.800 0.167 0.000 1.082 357 D HN 0.151 nan 8.370 nan 0.000 0.480 358 V N 3.775 123.826 119.914 0.228 0.000 2.656 358 V HA 0.342 4.462 4.120 -0.000 0.000 0.307 358 V C -0.682 175.519 176.094 0.178 0.000 1.051 358 V CA -0.904 61.528 62.300 0.219 0.000 0.893 358 V CB 1.931 33.841 31.823 0.145 0.000 0.999 358 V HN 0.592 nan 8.190 nan 0.000 0.426 359 H N 4.314 123.412 119.070 0.046 0.000 2.762 359 H HA 0.594 5.150 4.556 -0.000 0.000 0.310 359 H C -1.270 174.031 175.328 -0.046 0.000 1.004 359 H CA -0.900 55.143 56.048 -0.007 0.000 1.267 359 H CB 1.513 31.261 29.762 -0.024 0.000 1.437 359 H HN 0.583 nan 8.280 nan 0.000 0.498 360 L N 5.796 127.127 121.223 0.181 0.000 2.276 360 L HA 0.336 4.676 4.340 -0.000 0.000 0.286 360 L C -0.287 176.555 176.870 -0.047 0.000 1.061 360 L CA -0.016 54.833 54.840 0.014 0.000 0.807 360 L CB 1.171 43.246 42.059 0.027 0.000 1.177 360 L HN 0.695 nan 8.230 nan 0.000 0.429 361 T N 1.185 115.579 114.554 -0.266 0.000 2.855 361 T HA 0.724 5.074 4.350 -0.000 0.000 0.281 361 T C -0.122 174.452 174.700 -0.211 0.000 1.007 361 T CA -0.601 61.276 62.100 -0.371 0.000 1.009 361 T CB 1.610 69.900 68.868 -0.963 0.000 0.983 361 T HN 0.770 nan 8.240 nan 0.000 0.455 362 T N -0.146 114.438 114.554 0.049 0.000 2.900 362 T HA 0.524 4.874 4.350 -0.000 0.000 0.303 362 T C 0.578 175.448 174.700 0.283 0.000 1.142 362 T CA -0.225 61.995 62.100 0.201 0.000 1.007 362 T CB 1.495 70.421 68.868 0.098 0.000 1.156 362 T HN 0.833 nan 8.240 nan 0.000 0.490 363 S N 1.541 117.372 115.700 0.217 0.000 2.557 363 S HA 0.296 4.766 4.470 -0.000 0.000 0.223 363 S C -0.068 174.539 174.600 0.012 0.000 0.969 363 S CA -0.423 57.813 58.200 0.061 0.000 0.927 363 S CB 0.040 63.207 63.200 -0.054 0.000 0.806 363 S HN 0.664 nan 8.310 nan 0.000 0.489 364 D N 2.692 123.118 120.400 0.042 0.000 2.502 364 D HA 0.367 5.007 4.640 -0.000 0.000 0.249 364 D C -2.937 173.384 176.300 0.035 0.000 1.092 364 D CA -2.013 52.001 54.000 0.023 0.000 0.839 364 D CB 2.258 43.071 40.800 0.022 0.000 1.264 364 D HN -0.031 nan 8.370 nan 0.000 0.511 365 P HA 0.422 nan 4.420 nan 0.000 0.260 365 P C -1.321 176.000 177.300 0.033 0.000 1.651 365 P CA -0.384 62.738 63.100 0.036 0.000 1.139 365 P CB 0.110 31.833 31.700 0.039 0.000 1.756 366 A N 2.371 125.212 122.820 0.035 0.000 2.458 366 A HA 0.619 4.939 4.320 -0.000 0.000 0.304 366 A C -1.178 176.432 177.584 0.045 0.000 1.026 366 A CA -0.138 51.921 52.037 0.036 0.000 1.021 366 A CB 0.377 19.396 19.000 0.031 0.000 1.479 366 A HN 0.544 nan 8.150 nan 0.000 0.385 367 A N 2.975 125.827 122.820 0.053 0.000 2.528 367 A HA 0.562 4.882 4.320 -0.000 0.000 0.306 367 A C 0.531 178.174 177.584 0.099 0.000 1.042 367 A CA 0.239 52.324 52.037 0.080 0.000 0.950 367 A CB -0.085 18.957 19.000 0.070 0.000 1.374 367 A HN 2.070 nan 8.150 nan 0.000 0.387 368 H N 3.997 123.072 119.070 0.008 0.000 2.268 368 H HA -0.174 4.382 4.556 -0.000 0.000 0.288 368 H C 0.912 176.243 175.328 0.006 0.000 1.088 368 H CA 2.687 58.739 56.048 0.007 0.000 1.182 368 H CB -0.491 29.275 29.762 0.005 0.000 1.348 368 H HN 1.216 nan 8.280 nan 0.000 0.499 379 N N 1.021 119.728 118.700 0.012 0.000 2.696 379 N HA -0.233 4.507 4.740 -0.000 0.000 0.254 379 N C -0.764 174.774 175.510 0.046 0.000 0.988 379 N CA 0.909 53.977 53.050 0.029 0.000 0.775 379 N CB -1.738 36.774 38.487 0.041 0.000 0.933 379 N HN 0.443 nan 8.380 nan 0.000 0.539 380 L N -0.182 121.057 121.223 0.026 0.000 2.680 380 L HA 0.329 4.668 4.340 -0.000 0.000 0.260 380 L C -0.745 176.125 176.870 0.000 0.000 0.975 380 L CA -0.582 54.278 54.840 0.034 0.000 0.920 380 L CB 1.349 43.434 42.059 0.044 0.000 1.234 380 L HN 0.373 nan 8.230 nan 0.000 0.429 381 Q N 3.510 123.289 119.800 -0.035 0.000 2.274 381 Q HA 0.851 5.191 4.340 -0.000 0.000 0.260 381 Q C -1.641 174.337 176.000 -0.036 0.000 0.974 381 Q CA -0.925 54.816 55.803 -0.103 0.000 0.876 381 Q CB 2.573 31.156 28.738 -0.259 0.000 1.297 381 Q HN 0.404 nan 8.270 nan 0.000 0.446 382 V N 2.319 122.228 119.914 -0.009 0.000 2.448 382 V HA 0.466 4.586 4.120 -0.000 0.000 0.295 382 V C -0.630 175.514 176.094 0.084 0.000 1.025 382 V CA -0.683 61.658 62.300 0.068 0.000 0.859 382 V CB 1.806 33.656 31.823 0.044 0.000 0.988 382 V HN 0.891 nan 8.190 nan 0.000 0.431 383 S N 4.846 120.643 115.700 0.162 0.000 2.498 383 S HA 0.622 5.092 4.470 -0.000 0.000 0.317 383 S C -0.361 174.297 174.600 0.097 0.000 1.090 383 S CA -0.763 57.527 58.200 0.149 0.000 1.089 383 S CB 0.966 64.323 63.200 0.262 0.000 0.997 383 S HN 0.691 nan 8.310 nan 0.000 0.470 384 R N 2.609 123.162 120.500 0.089 0.000 2.445 384 R HA 0.628 4.968 4.340 -0.000 0.000 0.308 384 R C -0.158 176.204 176.300 0.103 0.000 0.961 384 R CA -0.613 55.544 56.100 0.095 0.000 0.862 384 R CB 1.154 31.494 30.300 0.066 0.000 1.144 384 R HN 0.650 nan 8.270 nan 0.000 0.447 385 I N -1.965 118.684 120.570 0.132 0.000 2.750 385 I HA 0.511 4.681 4.170 -0.000 0.000 0.308 385 I C -0.803 175.334 176.117 0.033 0.000 1.016 385 I CA -0.937 60.415 61.300 0.087 0.000 1.098 385 I CB 2.168 40.228 38.000 0.100 0.000 1.279 385 I HN 0.448 nan 8.210 nan 0.000 0.454 386 D N 5.748 126.156 120.400 0.012 0.000 2.396 386 D HA 0.334 4.974 4.640 -0.000 0.000 0.225 386 D C -1.483 174.777 176.300 -0.067 0.000 1.121 386 D CA -2.106 51.891 54.000 -0.006 0.000 0.853 386 D CB 1.395 42.220 40.800 0.041 0.000 1.043 386 D HN 0.351 nan 8.370 nan 0.000 0.500 387 P HA -0.242 nan 4.420 nan 0.000 0.216 387 P C 0.728 177.905 177.300 -0.204 0.000 1.153 387 P CA 1.565 64.516 63.100 -0.248 0.000 0.858 387 P CB 0.145 31.626 31.700 -0.366 0.000 0.789 388 H N 0.610 119.664 119.070 -0.026 0.000 2.321 388 H HA -0.132 4.424 4.556 -0.000 0.000 0.300 388 H C 2.402 177.725 175.328 -0.008 0.000 1.087 388 H CA 1.849 57.887 56.048 -0.017 0.000 1.319 388 H CB -0.463 29.291 29.762 -0.013 0.000 1.379 388 H HN 0.406 nan 8.280 nan 0.000 0.501 389 E N 0.957 121.220 120.200 0.105 0.000 2.152 389 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 389 E C 1.451 178.075 176.600 0.040 0.000 0.983 389 E CA 0.917 57.356 56.400 0.065 0.000 0.818 389 E CB 0.085 29.816 29.700 0.051 0.000 0.758 389 E HN 0.475 nan 8.360 nan 0.000 0.467 390 E N 0.960 121.168 120.200 0.012 0.000 2.107 390 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 390 E C 2.151 178.773 176.600 0.037 0.000 0.982 390 E CA 1.393 57.794 56.400 0.003 0.000 0.809 390 E CB -0.325 29.341 29.700 -0.056 0.000 0.756 390 E HN 0.301 nan 8.360 nan 0.000 0.459 391 T N 1.762 116.329 114.554 0.022 0.000 2.708 391 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 391 T C 1.670 176.439 174.700 0.114 0.000 1.037 391 T CA 1.063 63.200 62.100 0.060 0.000 1.146 391 T CB -0.049 68.832 68.868 0.022 0.000 0.865 391 T HN 0.052 nan 8.240 nan 0.000 0.435 392 E N 0.941 121.190 120.200 0.082 0.000 2.153 392 E HA -0.113 4.236 4.350 -0.000 0.000 0.194 392 E C 2.336 178.977 176.600 0.068 0.000 0.988 392 E CA 0.729 57.170 56.400 0.069 0.000 0.811 392 E CB -0.207 29.525 29.700 0.053 0.000 0.746 392 E HN 0.458 nan 8.360 nan 0.000 0.466 393 R N -0.344 120.203 120.500 0.077 0.000 2.066 393 R HA -0.176 4.164 4.340 -0.000 0.000 0.232 393 R C 2.337 178.695 176.300 0.096 0.000 1.131 393 R CA 1.341 57.482 56.100 0.068 0.000 0.955 393 R CB -0.671 29.661 30.300 0.053 0.000 0.851 393 R HN 0.192 nan 8.270 nan 0.000 0.432 394 Y N 1.508 121.821 120.300 0.021 0.000 2.128 394 Y HA -0.194 4.355 4.550 -0.000 0.000 0.284 394 Y C 2.349 178.290 175.900 0.068 0.000 1.154 394 Y CA 2.018 60.146 58.100 0.047 0.000 1.149 394 Y CB -0.022 38.445 38.460 0.012 0.000 0.976 394 Y HN 0.051 nan 8.280 nan 0.000 0.505 395 R N -0.112 120.416 120.500 0.047 0.000 2.081 395 R HA -0.235 4.105 4.340 -0.000 0.000 0.235 395 R C 2.388 178.646 176.300 -0.069 0.000 1.131 395 R CA 1.782 57.864 56.100 -0.031 0.000 0.960 395 R CB -0.523 29.803 30.300 0.042 0.000 0.856 395 R HN 0.498 nan 8.270 nan 0.000 0.436 396 Q N 0.020 119.809 119.800 -0.018 0.000 2.050 396 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 396 Q C 2.039 178.023 176.000 -0.026 0.000 0.980 396 Q CA 1.851 57.647 55.803 -0.012 0.000 0.840 396 Q CB -0.118 28.631 28.738 0.017 0.000 0.898 396 Q HN 0.387 nan 8.270 nan 0.000 0.424 397 H N -0.359 118.631 119.070 -0.134 0.000 2.290 397 H HA -0.125 4.431 4.556 -0.000 0.000 0.298 397 H C 1.841 177.053 175.328 -0.192 0.000 1.087 397 H CA 1.877 57.833 56.048 -0.154 0.000 1.291 397 H CB -0.484 29.173 29.762 -0.175 0.000 1.369 397 H HN 0.191 nan 8.280 nan 0.000 0.492 398 V N -0.134 119.561 119.914 -0.364 0.000 3.078 398 V HA -0.078 4.042 4.120 -0.000 0.000 0.265 398 V C 1.999 177.944 176.094 -0.248 0.000 1.122 398 V CA 1.311 63.382 62.300 -0.382 0.000 1.141 398 V CB -0.574 31.001 31.823 -0.414 0.000 0.735 398 V HN 0.380 nan 8.190 nan 0.000 0.498 399 L N 0.699 121.810 121.223 -0.187 0.000 2.127 399 L HA 0.026 4.366 4.340 -0.000 0.000 0.203 399 L C 2.579 179.378 176.870 -0.118 0.000 1.080 399 L CA 2.165 56.932 54.840 -0.122 0.000 0.768 399 L CB -0.436 41.575 42.059 -0.080 0.000 0.924 399 L HN 0.656 nan 8.230 nan 0.000 0.444 400 E N -2.617 117.503 120.200 -0.133 0.000 2.285 400 E HA -0.144 4.205 4.350 -0.000 0.000 0.194 400 E C 1.723 178.241 176.600 -0.136 0.000 0.997 400 E CA 1.400 57.736 56.400 -0.108 0.000 0.845 400 E CB -0.287 29.365 29.700 -0.080 0.000 0.782 400 E HN 0.241 nan 8.360 nan 0.000 0.491 401 T N 0.214 114.637 114.554 -0.218 0.000 2.852 401 T HA 0.054 4.404 4.350 -0.000 0.000 0.256 401 T C 1.525 176.137 174.700 -0.147 0.000 1.038 401 T CA 1.140 63.106 62.100 -0.224 0.000 1.141 401 T CB 0.080 68.704 68.868 -0.407 0.000 0.869 401 T HN 0.102 nan 8.240 nan 0.000 0.439 402 K N -0.199 120.117 120.400 -0.140 0.000 2.348 402 K HA 0.241 4.561 4.320 -0.000 0.000 0.194 402 K C 2.152 178.712 176.600 -0.068 0.000 1.052 402 K CA 0.254 56.487 56.287 -0.091 0.000 1.004 402 K CB 0.330 32.776 32.500 -0.089 0.000 0.873 402 K HN 0.228 nan 8.250 nan 0.000 0.523 403 G N 1.358 110.113 108.800 -0.075 0.000 2.650 403 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.214 403 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.214 403 G C 0.316 175.192 174.900 -0.039 0.000 1.136 403 G CA 0.169 45.237 45.100 -0.054 0.000 0.789 403 G HN 0.006 nan 8.290 nan 0.000 0.536 404 K N 0.296 120.671 120.400 -0.042 0.000 2.355 404 K HA 0.326 4.646 4.320 -0.000 0.000 0.270 404 K C 0.949 177.538 176.600 -0.018 0.000 1.003 404 K CA -0.245 56.025 56.287 -0.029 0.000 0.957 404 K CB 0.577 33.059 32.500 -0.031 0.000 0.939 404 K HN 0.299 nan 8.250 nan 0.000 0.482 405 E N -0.795 119.398 120.200 -0.011 0.000 4.071 405 E HA -0.241 4.109 4.350 -0.000 0.000 0.355 405 E C -0.680 175.923 176.600 0.006 0.000 0.653 405 E CA 0.386 56.784 56.400 -0.002 0.000 1.298 405 E CB -0.486 29.214 29.700 -0.001 0.000 1.712 405 E HN 0.197 nan 8.360 nan 0.000 0.416 406 L N 2.260 123.484 121.223 0.001 0.000 2.326 406 L HA 0.187 4.527 4.340 -0.000 0.000 0.278 406 L C 0.695 177.569 176.870 0.006 0.000 1.092 406 L CA 0.181 55.025 54.840 0.007 0.000 0.810 406 L CB 0.823 42.878 42.059 -0.006 0.000 1.153 406 L HN 0.105 nan 8.230 nan 0.000 0.439 407 D N 2.506 122.915 120.400 0.015 0.000 2.380 407 D HA 0.001 4.641 4.640 -0.000 0.000 0.254 407 D C 0.709 177.012 176.300 0.006 0.000 1.288 407 D CA -0.280 53.728 54.000 0.013 0.000 1.008 407 D CB 0.516 41.330 40.800 0.023 0.000 1.099 407 D HN 0.405 nan 8.370 nan 0.000 0.537 408 E N -0.189 120.014 120.200 0.006 0.000 2.058 408 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 408 E C 1.968 178.569 176.600 0.001 0.000 0.997 408 E CA 1.731 58.132 56.400 0.002 0.000 0.801 408 E CB -0.756 28.946 29.700 0.004 0.000 0.746 408 E HN 0.637 nan 8.360 nan 0.000 0.450 409 A N 0.993 123.817 122.820 0.007 0.000 1.972 409 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 409 A C 2.440 180.018 177.584 -0.010 0.000 1.169 409 A CA 1.838 53.879 52.037 0.006 0.000 0.635 409 A CB -0.872 18.142 19.000 0.023 0.000 0.810 409 A HN 0.333 nan 8.150 nan 0.000 0.446 410 G N -0.578 108.217 108.800 -0.008 0.000 2.403 410 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.216 410 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.216 410 G C 1.656 176.537 174.900 -0.032 0.000 1.154 410 G CA 0.895 45.981 45.100 -0.024 0.000 0.784 410 G HN 0.545 nan 8.290 nan 0.000 0.538 411 K N 0.056 120.443 120.400 -0.022 0.000 2.097 411 K HA 0.018 4.338 4.320 -0.000 0.000 0.205 411 K C 2.720 179.304 176.600 -0.027 0.000 1.050 411 K CA 0.567 56.839 56.287 -0.026 0.000 0.938 411 K CB -0.070 32.418 32.500 -0.020 0.000 0.718 411 K HN 0.100 nan 8.250 nan 0.000 0.442 412 R N 0.543 121.028 120.500 -0.024 0.000 2.115 412 R HA -0.105 4.235 4.340 -0.000 0.000 0.230 412 R C 2.329 178.608 176.300 -0.034 0.000 1.111 412 R CA 0.775 56.861 56.100 -0.023 0.000 0.976 412 R CB -0.476 29.814 30.300 -0.017 0.000 0.870 412 R HN 0.160 nan 8.270 nan 0.000 0.445 413 L N 1.238 122.431 121.223 -0.051 0.000 2.056 413 L HA -0.100 4.239 4.340 -0.000 0.000 0.207 413 L C 2.138 178.971 176.870 -0.062 0.000 1.078 413 L CA 1.463 56.256 54.840 -0.078 0.000 0.749 413 L CB -0.530 41.462 42.059 -0.112 0.000 0.901 413 L HN 0.128 nan 8.230 nan 0.000 0.433 414 L N -0.825 120.367 121.223 -0.052 0.000 2.046 414 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 414 L C 2.373 179.230 176.870 -0.022 0.000 1.077 414 L CA 1.631 56.446 54.840 -0.040 0.000 0.747 414 L CB -0.223 41.809 42.059 -0.045 0.000 0.896 414 L HN 0.416 nan 8.230 nan 0.000 0.432 415 E N -0.473 119.716 120.200 -0.020 0.000 2.150 415 E HA -0.279 4.071 4.350 -0.000 0.000 0.193 415 E C 1.870 178.478 176.600 0.013 0.000 0.985 415 E CA 1.106 57.502 56.400 -0.007 0.000 0.814 415 E CB 0.109 29.803 29.700 -0.009 0.000 0.752 415 E HN 0.384 nan 8.360 nan 0.000 0.466 416 E N 1.183 121.391 120.200 0.014 0.000 2.158 416 E HA -0.176 4.173 4.350 -0.000 0.000 0.191 416 E C 1.504 178.187 176.600 0.139 0.000 0.982 416 E CA 1.160 57.595 56.400 0.059 0.000 0.823 416 E CB -0.059 29.645 29.700 0.008 0.000 0.766 416 E HN 0.121 nan 8.360 nan 0.000 0.468 417 D N -0.272 120.173 120.400 0.076 0.000 2.144 417 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 417 D C 1.248 177.593 176.300 0.075 0.000 0.984 417 D CA 0.882 54.940 54.000 0.097 0.000 0.834 417 D CB -0.037 40.778 40.800 0.024 0.000 0.955 417 D HN 0.286 nan 8.370 nan 0.000 0.465 418 L N -0.429 120.822 121.223 0.047 0.000 2.693 418 L HA 0.194 4.534 4.340 -0.000 0.000 0.242 418 L C 1.453 178.330 176.870 0.011 0.000 1.157 418 L CA 0.118 54.987 54.840 0.049 0.000 0.929 418 L CB -0.037 42.049 42.059 0.045 0.000 1.103 418 L HN -0.111 nan 8.230 nan 0.000 0.430 419 R N -1.406 119.070 120.500 -0.039 0.000 2.535 419 R HA 0.203 4.543 4.340 -0.000 0.000 0.323 419 R C 0.489 176.535 176.300 -0.424 0.000 0.979 419 R CA -0.068 55.955 56.100 -0.128 0.000 1.120 419 R CB 0.709 30.988 30.300 -0.035 0.000 1.306 419 R HN 0.061 nan 8.270 nan 0.000 0.540 420 S N 1.350 116.795 115.700 -0.425 0.000 2.579 420 S HA 0.090 4.559 4.470 -0.000 0.000 0.275 420 S C -1.728 172.687 174.600 -0.308 0.000 1.345 420 S CA -1.012 56.853 58.200 -0.558 0.000 1.031 420 S CB 1.146 64.251 63.200 -0.158 0.000 0.892 420 S HN 0.032 nan 8.310 nan 0.000 0.529 421 P HA -0.101 nan 4.420 nan 0.000 0.216 421 P C 1.536 178.758 177.300 -0.129 0.000 1.150 421 P CA 1.004 64.010 63.100 -0.157 0.000 0.843 421 P CB -0.230 31.402 31.700 -0.114 0.000 0.787 422 C N -3.476 115.760 119.300 -0.108 0.000 2.456 422 C HA -0.002 4.458 4.460 -0.000 0.000 0.279 422 C C 2.361 177.273 174.990 -0.130 0.000 1.427 422 C CA 0.777 59.735 59.018 -0.100 0.000 1.778 422 C CB -2.016 25.694 27.740 -0.049 0.000 1.842 422 C HN 0.176 nan 8.230 nan 0.000 0.531 423 T N 1.370 115.858 114.554 -0.110 0.000 2.652 423 T HA -0.236 4.114 4.350 -0.000 0.000 0.267 423 T C 1.772 176.354 174.700 -0.195 0.000 1.039 423 T CA 2.219 64.261 62.100 -0.098 0.000 1.153 423 T CB -0.417 68.449 68.868 -0.003 0.000 0.863 423 T HN 0.816 nan 8.240 nan 0.000 0.428 424 E N 1.119 121.227 120.200 -0.153 0.000 2.110 424 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 424 E C 2.296 178.766 176.600 -0.217 0.000 0.988 424 E CA 1.341 57.638 56.400 -0.172 0.000 0.804 424 E CB -0.079 29.532 29.700 -0.148 0.000 0.745 424 E HN 0.748 nan 8.360 nan 0.000 0.458 425 E N 0.443 120.524 120.200 -0.198 0.000 2.204 425 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 425 E C 2.050 178.523 176.600 -0.210 0.000 0.990 425 E CA 1.157 57.439 56.400 -0.197 0.000 0.821 425 E CB -0.231 29.369 29.700 -0.168 0.000 0.750 425 E HN 0.411 nan 8.360 nan 0.000 0.477 426 I N 1.263 121.668 120.570 -0.275 0.000 2.333 426 I HA -0.110 4.060 4.170 -0.000 0.000 0.246 426 I C 2.663 178.560 176.117 -0.367 0.000 1.106 426 I CA 0.852 61.964 61.300 -0.313 0.000 1.411 426 I CB -0.226 37.474 38.000 -0.500 0.000 1.082 426 I HN 0.213 nan 8.210 nan 0.000 0.420 427 A N 0.337 122.856 122.820 -0.503 0.000 1.930 427 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 427 A C 2.391 179.835 177.584 -0.234 0.000 1.175 427 A CA 1.409 53.230 52.037 -0.359 0.000 0.627 427 A CB -0.778 18.078 19.000 -0.239 0.000 0.815 427 A HN 0.231 nan 8.150 nan 0.000 0.443 428 V N -1.459 118.287 119.914 -0.281 0.000 2.453 428 V HA -0.189 3.931 4.120 -0.000 0.000 0.247 428 V C 2.218 178.009 176.094 -0.505 0.000 1.048 428 V CA 1.848 63.893 62.300 -0.426 0.000 1.049 428 V CB -0.819 30.693 31.823 -0.518 0.000 0.672 428 V HN 0.664 nan 8.190 nan 0.000 0.457 429 F N 0.505 120.189 119.950 -0.443 0.000 2.146 429 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 429 F C 2.553 178.269 175.800 -0.140 0.000 1.096 429 F CA 1.878 59.715 58.000 -0.272 0.000 1.275 429 F CB 0.040 38.931 39.000 -0.181 0.000 1.008 429 F HN 0.102 nan 8.300 nan 0.000 0.480 430 Q N 0.744 120.446 119.800 -0.163 0.000 2.014 430 Q HA -0.235 4.105 4.340 -0.000 0.000 0.207 430 Q C 2.357 178.254 176.000 -0.172 0.000 0.993 430 Q CA 2.547 58.245 55.803 -0.175 0.000 0.850 430 Q CB -0.854 27.832 28.738 -0.087 0.000 0.916 430 Q HN 0.508 nan 8.270 nan 0.000 0.417 431 A N -0.434 122.308 122.820 -0.130 0.000 1.883 431 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 431 A C 2.059 179.666 177.584 0.038 0.000 1.186 431 A CA 1.507 53.513 52.037 -0.051 0.000 0.624 431 A CB -1.170 17.805 19.000 -0.042 0.000 0.822 431 A HN 0.549 nan 8.150 nan 0.000 0.444 432 F N 0.637 120.480 119.950 -0.179 0.000 2.236 432 F HA -0.218 4.309 4.527 -0.000 0.000 0.302 432 F C 2.581 178.218 175.800 -0.271 0.000 1.073 432 F CA 0.743 58.622 58.000 -0.202 0.000 1.336 432 F CB -0.070 38.822 39.000 -0.179 0.000 1.040 432 F HN 0.196 nan 8.300 nan 0.000 0.507 433 S N 0.102 115.703 115.700 -0.166 0.000 2.469 433 S HA -0.189 4.280 4.470 -0.000 0.000 0.238 433 S C 1.916 176.430 174.600 -0.142 0.000 0.998 433 S CA 0.988 59.038 58.200 -0.250 0.000 0.957 433 S CB -0.377 62.616 63.200 -0.344 0.000 0.764 433 S HN 0.500 nan 8.310 nan 0.000 0.514 434 R N 1.435 121.881 120.500 -0.089 0.000 2.081 434 R HA -0.043 4.296 4.340 -0.000 0.000 0.235 434 R C 2.048 178.311 176.300 -0.062 0.000 1.131 434 R CA 1.876 57.941 56.100 -0.059 0.000 0.960 434 R CB -0.850 29.434 30.300 -0.026 0.000 0.856 434 R HN 0.465 nan 8.270 nan 0.000 0.436 435 V N -1.463 118.398 119.914 -0.088 0.000 3.608 435 V HA 0.186 4.305 4.120 -0.000 0.000 0.269 435 V C 1.912 177.912 176.094 -0.156 0.000 1.245 435 V CA 0.358 62.588 62.300 -0.117 0.000 1.138 435 V CB -0.321 31.349 31.823 -0.254 0.000 0.841 435 V HN 0.230 nan 8.190 nan 0.000 0.451 436 I N 1.938 122.415 120.570 -0.155 0.000 3.010 436 I HA -0.149 4.021 4.170 -0.000 0.000 0.271 436 I C 2.780 178.830 176.117 -0.111 0.000 1.293 436 I CA 1.553 62.767 61.300 -0.143 0.000 1.452 436 I CB -0.311 37.605 38.000 -0.141 0.000 1.082 436 I HN 0.479 nan 8.210 nan 0.000 0.484 437 R N 1.183 121.626 120.500 -0.095 0.000 2.148 437 R HA -0.093 4.247 4.340 -0.000 0.000 0.223 437 R C 1.294 177.546 176.300 -0.081 0.000 1.088 437 R CA 0.949 57.001 56.100 -0.079 0.000 0.985 437 R CB -0.561 29.703 30.300 -0.060 0.000 0.880 437 R HN 0.414 nan 8.270 nan 0.000 0.451 438 E N 1.275 121.434 120.200 -0.069 0.000 2.511 438 E HA 0.025 4.375 4.350 -0.000 0.000 0.196 438 E C 1.518 178.060 176.600 -0.098 0.000 1.066 438 E CA 0.479 56.847 56.400 -0.054 0.000 0.871 438 E CB 0.194 29.904 29.700 0.018 0.000 0.863 438 E HN 0.497 nan 8.360 nan 0.000 0.520 439 A N 1.202 123.942 122.820 -0.133 0.000 2.248 439 A HA 0.016 4.336 4.320 -0.000 0.000 0.210 439 A C 2.144 179.522 177.584 -0.345 0.000 1.174 439 A CA 1.067 52.993 52.037 -0.185 0.000 0.750 439 A CB -0.430 18.479 19.000 -0.151 0.000 0.780 439 A HN 0.345 nan 8.150 nan 0.000 0.478 440 G N -0.645 107.967 108.800 -0.312 0.000 2.539 440 G HA2 0.066 4.026 3.960 -0.000 0.000 0.215 440 G HA3 0.066 4.026 3.960 -0.000 0.000 0.215 440 G C 1.391 176.068 174.900 -0.371 0.000 1.141 440 G CA 0.579 45.414 45.100 -0.442 0.000 0.806 440 G HN 0.511 nan 8.290 nan 0.000 0.533 441 K N -0.495 119.795 120.400 -0.184 0.000 2.370 441 K HA 0.284 4.604 4.320 -0.000 0.000 0.194 441 K C 1.057 177.634 176.600 -0.038 0.000 1.070 441 K CA 0.098 56.350 56.287 -0.059 0.000 0.998 441 K CB 0.555 33.035 32.500 -0.033 0.000 0.911 441 K HN 0.476 nan 8.250 nan 0.000 0.533 442 R N -1.548 118.896 120.500 -0.093 0.000 3.006 442 R HA 0.425 4.764 4.340 -0.000 0.000 0.261 442 R C -1.174 175.021 176.300 -0.175 0.000 1.113 442 R CA -0.908 55.136 56.100 -0.093 0.000 0.973 442 R CB 0.331 30.654 30.300 0.039 0.000 1.341 442 R HN -0.205 nan 8.270 nan 0.000 0.437 443 F N 0.491 120.455 119.950 0.022 0.000 2.404 443 F HA 0.525 5.052 4.527 -0.000 0.000 0.339 443 F C -0.157 175.625 175.800 -0.030 0.000 1.105 443 F CA -0.667 57.316 58.000 -0.028 0.000 1.087 443 F CB 2.180 41.151 39.000 -0.049 0.000 1.143 443 F HN 0.020 nan 8.300 nan 0.000 0.491 444 V N 4.393 124.379 119.914 0.119 0.000 2.483 444 V HA 0.419 4.539 4.120 -0.000 0.000 0.297 444 V C -0.717 175.347 176.094 -0.050 0.000 1.027 444 V CA -0.768 61.515 62.300 -0.028 0.000 0.855 444 V CB 1.764 33.513 31.823 -0.123 0.000 0.995 444 V HN 0.473 nan 8.190 nan 0.000 0.424 445 V N 6.284 126.143 119.914 -0.091 0.000 2.417 445 V HA 0.542 4.662 4.120 -0.000 0.000 0.291 445 V C -0.038 175.949 176.094 -0.179 0.000 1.024 445 V CA -0.391 61.851 62.300 -0.097 0.000 0.861 445 V CB 1.686 33.469 31.823 -0.068 0.000 0.985 445 V HN 0.802 nan 8.190 nan 0.000 0.436 446 M N 3.856 123.368 119.600 -0.148 0.000 2.364 446 M HA 0.404 4.884 4.480 -0.000 0.000 0.334 446 M C 0.101 176.402 176.300 0.001 0.000 1.107 446 M CA -0.668 54.526 55.300 -0.175 0.000 0.988 446 M CB 2.032 34.567 32.600 -0.108 0.000 1.673 446 M HN 0.801 nan 8.290 nan 0.000 0.441 447 D N -0.034 120.414 120.400 0.080 0.000 2.340 447 D HA 0.086 4.726 4.640 -0.000 0.000 0.217 447 D C 0.143 176.514 176.300 0.119 0.000 1.081 447 D CA 0.245 54.300 54.000 0.092 0.000 0.842 447 D CB 0.443 41.287 40.800 0.073 0.000 0.934 447 D HN 0.513 nan 8.370 nan 0.000 0.511 448 T N -1.479 113.198 114.554 0.205 0.000 2.749 448 T HA 0.645 4.995 4.350 -0.000 0.000 0.310 448 T C -2.179 172.602 174.700 0.135 0.000 1.496 448 T CA -0.071 62.097 62.100 0.112 0.000 1.006 448 T CB 1.405 70.298 68.868 0.042 0.000 1.457 448 T HN 0.288 nan 8.240 nan 0.000 0.497 449 A N 2.405 125.225 122.820 -0.000 0.000 2.608 449 A HA 0.823 5.143 4.320 -0.000 0.000 0.292 449 A C -3.224 174.234 177.584 -0.210 0.000 1.066 449 A CA -1.135 50.848 52.037 -0.090 0.000 0.676 449 A CB 0.989 19.939 19.000 -0.083 0.000 1.277 449 A HN 0.624 nan 8.150 nan 0.000 0.413 450 P HA 0.422 nan 4.420 nan 0.000 0.276 450 P C 0.353 177.505 177.300 -0.247 0.000 1.261 450 P CA -0.069 62.837 63.100 -0.324 0.000 0.800 450 P CB 0.541 31.966 31.700 -0.458 0.000 1.066 451 T N -2.768 111.688 114.554 -0.163 0.000 2.766 451 T HA 0.228 4.578 4.350 -0.000 0.000 0.295 451 T C 1.626 176.261 174.700 -0.109 0.000 1.024 451 T CA 0.038 62.078 62.100 -0.101 0.000 1.018 451 T CB 0.231 69.086 68.868 -0.021 0.000 1.002 451 T HN 0.446 nan 8.240 nan 0.000 0.532 452 G N -0.265 108.496 108.800 -0.066 0.000 2.422 452 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 452 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 452 G C 1.341 176.217 174.900 -0.040 0.000 1.146 452 G CA 1.149 46.211 45.100 -0.062 0.000 0.769 452 G HN 1.062 nan 8.290 nan 0.000 0.547 453 H N 0.685 119.712 119.070 -0.072 0.000 2.319 453 H HA -0.060 4.496 4.556 -0.000 0.000 0.299 453 H C 2.526 177.818 175.328 -0.061 0.000 1.092 453 H CA 2.324 58.339 56.048 -0.055 0.000 1.302 453 H CB -0.422 29.311 29.762 -0.047 0.000 1.373 453 H HN 0.217 nan 8.280 nan 0.000 0.497 454 T N 1.294 115.665 114.554 -0.305 0.000 2.777 454 T HA -0.081 4.268 4.350 -0.000 0.000 0.266 454 T C 1.972 176.516 174.700 -0.259 0.000 1.040 454 T CA 1.001 62.898 62.100 -0.339 0.000 1.141 454 T CB -0.207 68.545 68.868 -0.193 0.000 0.868 454 T HN 0.105 nan 8.240 nan 0.000 0.444 455 L N 0.962 122.052 121.223 -0.221 0.000 1.989 455 L HA -0.006 4.334 4.340 -0.000 0.000 0.211 455 L C 2.398 179.197 176.870 -0.119 0.000 1.071 455 L CA 1.524 56.259 54.840 -0.176 0.000 0.749 455 L CB -1.466 40.487 42.059 -0.177 0.000 0.890 455 L HN 0.299 nan 8.230 nan 0.000 0.431 456 L N -1.612 119.537 121.223 -0.125 0.000 2.042 456 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 456 L C 2.486 179.295 176.870 -0.102 0.000 1.076 456 L CA 0.703 55.490 54.840 -0.089 0.000 0.749 456 L CB -0.525 41.493 42.059 -0.069 0.000 0.893 456 L HN 0.226 nan 8.230 nan 0.000 0.432 457 L N -0.606 120.504 121.223 -0.188 0.000 2.017 457 L HA -0.198 4.141 4.340 -0.000 0.000 0.208 457 L C 2.332 179.155 176.870 -0.078 0.000 1.073 457 L CA 1.695 56.438 54.840 -0.163 0.000 0.745 457 L CB -0.480 41.404 42.059 -0.292 0.000 0.894 457 L HN 0.115 nan 8.230 nan 0.000 0.432 458 L N -0.931 120.249 121.223 -0.071 0.000 2.046 458 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 458 L C 2.204 179.082 176.870 0.014 0.000 1.077 458 L CA 1.500 56.338 54.840 -0.004 0.000 0.747 458 L CB -0.585 41.486 42.059 0.021 0.000 0.896 458 L HN 0.298 nan 8.230 nan 0.000 0.432 459 D N 0.030 120.430 120.400 0.000 0.000 2.218 459 D HA -0.167 4.473 4.640 -0.000 0.000 0.204 459 D C 2.115 178.420 176.300 0.008 0.000 0.976 459 D CA 1.099 55.106 54.000 0.011 0.000 0.853 459 D CB 0.188 40.990 40.800 0.003 0.000 0.939 459 D HN 0.264 nan 8.370 nan 0.000 0.481 460 A N -0.520 122.299 122.820 -0.001 0.000 1.986 460 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 460 A C 1.593 179.184 177.584 0.012 0.000 1.171 460 A CA 1.533 53.572 52.037 0.003 0.000 0.640 460 A CB -0.756 18.242 19.000 -0.003 0.000 0.811 460 A HN 0.324 nan 8.150 nan 0.000 0.451 481 P HA 0.133 nan 4.420 nan 0.000 0.246 481 P C 1.062 178.409 177.300 0.078 0.000 1.675 481 P CA -0.264 62.865 63.100 0.049 0.000 0.908 481 P CB 0.062 31.775 31.700 0.021 0.000 1.890 482 M N 1.508 121.150 119.600 0.071 0.000 2.082 482 M HA -0.181 4.299 4.480 -0.000 0.000 0.258 482 M C 2.082 178.410 176.300 0.046 0.000 1.071 482 M CA 2.013 57.348 55.300 0.059 0.000 1.103 482 M CB -0.797 31.827 32.600 0.039 0.000 1.307 482 M HN -0.022 nan 8.290 nan 0.000 0.409 483 M N -0.817 118.804 119.600 0.036 0.000 2.144 483 M HA -0.222 4.258 4.480 -0.000 0.000 0.260 483 M C 1.968 178.287 176.300 0.031 0.000 1.067 483 M CA 1.433 56.751 55.300 0.031 0.000 1.095 483 M CB -0.711 31.903 32.600 0.023 0.000 1.365 483 M HN 0.467 nan 8.290 nan 0.000 0.406 484 L N 0.714 121.955 121.223 0.029 0.000 1.989 484 L HA -0.176 4.163 4.340 -0.000 0.000 0.211 484 L C 2.020 178.911 176.870 0.035 0.000 1.071 484 L CA 1.903 56.755 54.840 0.021 0.000 0.749 484 L CB -0.706 41.360 42.059 0.012 0.000 0.890 484 L HN 0.258 nan 8.230 nan 0.000 0.431 485 L N -0.883 120.375 121.223 0.058 0.000 2.083 485 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 485 L C 2.658 179.561 176.870 0.056 0.000 1.083 485 L CA 1.458 56.338 54.840 0.066 0.000 0.752 485 L CB -0.599 41.509 42.059 0.082 0.000 0.899 485 L HN 0.448 nan 8.230 nan 0.000 0.433 486 Q N -0.769 119.063 119.800 0.054 0.000 2.172 486 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 486 Q C 0.650 176.696 176.000 0.077 0.000 0.964 486 Q CA 0.362 56.205 55.803 0.066 0.000 0.855 486 Q CB -0.069 28.703 28.738 0.057 0.000 0.918 486 Q HN 0.307 nan 8.270 nan 0.000 0.444 487 D N 0.941 121.374 120.400 0.055 0.000 2.363 487 D HA -0.005 4.635 4.640 -0.000 0.000 0.263 487 D C -1.876 174.456 176.300 0.054 0.000 1.258 487 D CA -1.721 52.309 54.000 0.049 0.000 0.907 487 D CB 1.229 42.045 40.800 0.027 0.000 1.107 487 D HN -0.075 nan 8.370 nan 0.000 0.495 488 P HA -0.152 nan 4.420 nan 0.000 0.217 488 P C 0.787 178.114 177.300 0.045 0.000 1.148 488 P CA 1.052 64.207 63.100 0.091 0.000 0.828 488 P CB 0.517 32.281 31.700 0.106 0.000 0.783 489 E N -0.778 119.439 120.200 0.029 0.000 2.012 489 E HA -0.019 4.331 4.350 -0.000 0.000 0.192 489 E C 2.080 178.670 176.600 -0.018 0.000 0.977 489 E CA 0.928 57.332 56.400 0.008 0.000 0.832 489 E CB -0.811 28.905 29.700 0.025 0.000 0.790 489 E HN 0.007 nan 8.360 nan 0.000 0.466 490 R N -0.220 120.270 120.500 -0.016 0.000 2.174 490 R HA -0.078 4.262 4.340 -0.000 0.000 0.253 490 R C 0.118 176.385 176.300 -0.054 0.000 1.165 490 R CA 1.362 57.431 56.100 -0.052 0.000 0.984 490 R CB -0.431 29.835 30.300 -0.057 0.000 0.873 490 R HN 0.159 nan 8.270 nan 0.000 0.456 491 T N 0.650 115.184 114.554 -0.033 0.000 2.921 491 T HA 0.364 4.714 4.350 -0.000 0.000 0.297 491 T C -0.760 173.916 174.700 -0.041 0.000 1.013 491 T CA -0.769 61.314 62.100 -0.028 0.000 0.990 491 T CB 2.529 71.405 68.868 0.013 0.000 1.023 491 T HN -0.065 nan 8.240 nan 0.000 0.447 492 K N 2.292 122.639 120.400 -0.089 0.000 2.483 492 K HA 0.592 4.911 4.320 -0.000 0.000 0.256 492 K C -0.971 175.651 176.600 0.036 0.000 0.961 492 K CA -0.740 55.487 56.287 -0.101 0.000 0.873 492 K CB 2.188 34.370 32.500 -0.530 0.000 1.107 492 K HN 0.309 nan 8.250 nan 0.000 0.432 493 V N 5.126 125.125 119.914 0.143 0.000 2.465 493 V HA 0.333 4.453 4.120 -0.000 0.000 0.279 493 V C -0.115 176.088 176.094 0.181 0.000 1.045 493 V CA -0.648 61.725 62.300 0.121 0.000 0.938 493 V CB 0.964 32.845 31.823 0.097 0.000 0.986 493 V HN 0.598 nan 8.190 nan 0.000 0.467 494 L N 5.499 126.792 121.223 0.117 0.000 2.341 494 L HA 0.503 4.843 4.340 -0.000 0.000 0.278 494 L C -0.887 175.966 176.870 -0.028 0.000 1.005 494 L CA -0.774 54.137 54.840 0.118 0.000 0.818 494 L CB 1.806 43.947 42.059 0.135 0.000 1.259 494 L HN 0.367 nan 8.230 nan 0.000 0.418 495 L N 4.203 125.334 121.223 -0.153 0.000 2.282 495 L HA 0.472 4.812 4.340 -0.000 0.000 0.288 495 L C -0.214 176.439 176.870 -0.361 0.000 1.033 495 L CA -0.266 54.324 54.840 -0.415 0.000 0.807 495 L CB 1.751 43.230 42.059 -0.967 0.000 1.209 495 L HN 0.187 nan 8.230 nan 0.000 0.423 496 V N 3.710 123.466 119.914 -0.264 0.000 2.427 496 V HA 0.763 4.883 4.120 -0.000 0.000 0.286 496 V C 0.271 176.250 176.094 -0.191 0.000 1.034 496 V CA -0.336 61.867 62.300 -0.161 0.000 0.893 496 V CB 1.523 33.293 31.823 -0.089 0.000 0.982 496 V HN 0.892 nan 8.190 nan 0.000 0.452 497 T N 4.485 118.970 114.554 -0.116 0.000 2.671 497 T HA 0.725 5.075 4.350 -0.000 0.000 0.300 497 T C -1.494 173.204 174.700 -0.002 0.000 1.238 497 T CA -0.463 61.587 62.100 -0.083 0.000 1.020 497 T CB 1.391 70.193 68.868 -0.109 0.000 1.503 497 T HN 0.408 nan 8.240 nan 0.000 0.497 498 L N 2.093 123.325 121.223 0.015 0.000 2.319 498 L HA 0.583 4.923 4.340 -0.000 0.000 0.267 498 L C -1.901 175.003 176.870 0.057 0.000 1.011 498 L CA -2.490 52.368 54.840 0.031 0.000 0.818 498 L CB 2.151 44.220 42.059 0.016 0.000 1.316 498 L HN 0.485 nan 8.230 nan 0.000 0.432 499 P HA 0.123 nan 4.420 nan 0.000 0.237 499 P C -0.866 176.465 177.300 0.051 0.000 1.723 499 P CA 0.138 63.275 63.100 0.061 0.000 0.882 499 P CB -0.023 31.707 31.700 0.049 0.000 1.810 500 E N -0.878 119.353 120.200 0.052 0.000 2.312 500 E HA 0.209 4.559 4.350 -0.000 0.000 0.267 500 E C 1.266 177.895 176.600 0.048 0.000 0.894 500 E CA -0.670 55.754 56.400 0.041 0.000 0.773 500 E CB 1.243 30.959 29.700 0.027 0.000 1.241 500 E HN -0.049 nan 8.360 nan 0.000 0.432 501 T N -1.235 113.342 114.554 0.039 0.000 2.580 501 T HA -0.257 4.093 4.350 -0.000 0.000 0.265 501 T C 1.742 176.467 174.700 0.041 0.000 1.063 501 T CA 2.209 64.335 62.100 0.042 0.000 1.170 501 T CB -0.742 68.142 68.868 0.027 0.000 0.863 501 T HN 0.408 nan 8.240 nan 0.000 0.418 502 T N 2.974 117.544 114.554 0.026 0.000 2.708 502 T HA 0.014 4.364 4.350 -0.000 0.000 0.266 502 T C -0.367 174.342 174.700 0.015 0.000 1.037 502 T CA 1.507 63.619 62.100 0.020 0.000 1.146 502 T CB -1.346 67.530 68.868 0.014 0.000 0.865 502 T HN 0.387 nan 8.240 nan 0.000 0.435 503 P HA -0.035 nan 4.420 nan 0.000 0.215 503 P C 1.642 178.945 177.300 0.005 0.000 1.153 503 P CA 0.611 63.711 63.100 0.000 0.000 0.853 503 P CB -0.158 31.546 31.700 0.005 0.000 0.788 504 V N -0.583 119.364 119.914 0.055 0.000 2.358 504 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 504 V C 2.372 178.491 176.094 0.042 0.000 1.047 504 V CA 1.528 63.897 62.300 0.114 0.000 1.035 504 V CB -1.212 30.713 31.823 0.170 0.000 0.658 504 V HN 0.059 nan 8.190 nan 0.000 0.452 505 L N 0.418 121.659 121.223 0.031 0.000 2.042 505 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 505 L C 2.335 179.201 176.870 -0.007 0.000 1.076 505 L CA 2.053 56.903 54.840 0.016 0.000 0.749 505 L CB -0.726 41.354 42.059 0.034 0.000 0.893 505 L HN 0.374 nan 8.230 nan 0.000 0.432 506 E N -0.374 119.815 120.200 -0.018 0.000 2.153 506 E HA -0.184 4.165 4.350 -0.000 0.000 0.194 506 E C 2.153 178.703 176.600 -0.083 0.000 0.988 506 E CA 0.996 57.372 56.400 -0.040 0.000 0.811 506 E CB -0.272 29.404 29.700 -0.041 0.000 0.746 506 E HN 0.702 nan 8.360 nan 0.000 0.466 507 A N 1.452 124.195 122.820 -0.128 0.000 1.898 507 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 507 A C 2.393 179.887 177.584 -0.150 0.000 1.181 507 A CA 1.435 53.292 52.037 -0.300 0.000 0.620 507 A CB -0.529 18.096 19.000 -0.626 0.000 0.819 507 A HN 0.281 nan 8.150 nan 0.000 0.442 508 A N 0.413 123.263 122.820 0.050 0.000 1.908 508 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 508 A C 1.892 179.520 177.584 0.073 0.000 1.181 508 A CA 1.788 53.895 52.037 0.117 0.000 0.627 508 A CB -0.890 18.030 19.000 -0.134 0.000 0.818 508 A HN 0.731 nan 8.150 nan 0.000 0.445 509 N N -0.722 117.988 118.700 0.017 0.000 2.188 509 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 509 N C 1.486 176.991 175.510 -0.009 0.000 1.018 509 N CA 0.969 54.024 53.050 0.008 0.000 0.858 509 N CB -0.162 38.322 38.487 -0.005 0.000 0.989 509 N HN 0.281 nan 8.380 nan 0.000 0.426 510 L N 1.594 122.791 121.223 -0.043 0.000 2.046 510 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 510 L C 2.523 179.368 176.870 -0.042 0.000 1.077 510 L CA 1.571 56.371 54.840 -0.067 0.000 0.747 510 L CB -0.771 41.212 42.059 -0.127 0.000 0.896 510 L HN 0.215 nan 8.230 nan 0.000 0.432 511 Q N -1.050 118.749 119.800 -0.001 0.000 2.046 511 Q HA -0.183 4.157 4.340 -0.000 0.000 0.200 511 Q C 2.193 178.224 176.000 0.052 0.000 0.975 511 Q CA 1.712 57.557 55.803 0.071 0.000 0.836 511 Q CB -0.136 28.761 28.738 0.265 0.000 0.896 511 Q HN 0.473 nan 8.270 nan 0.000 0.428 512 A N 0.806 123.661 122.820 0.059 0.000 1.908 512 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 512 A C 1.807 179.394 177.584 0.005 0.000 1.181 512 A CA 1.975 54.035 52.037 0.038 0.000 0.627 512 A CB -0.950 18.076 19.000 0.045 0.000 0.818 512 A HN 0.614 nan 8.150 nan 0.000 0.445 513 D N -0.416 119.983 120.400 -0.001 0.000 2.117 513 D HA -0.089 4.551 4.640 -0.000 0.000 0.197 513 D C 1.846 178.131 176.300 -0.026 0.000 0.987 513 D CA 1.095 55.091 54.000 -0.007 0.000 0.829 513 D CB -0.200 40.596 40.800 -0.005 0.000 0.961 513 D HN 0.412 nan 8.370 nan 0.000 0.460 514 L N 0.261 121.460 121.223 -0.040 0.000 2.046 514 L HA -0.120 4.219 4.340 -0.000 0.000 0.208 514 L C 2.412 179.220 176.870 -0.103 0.000 1.077 514 L CA 1.188 55.990 54.840 -0.064 0.000 0.747 514 L CB -0.346 41.680 42.059 -0.055 0.000 0.896 514 L HN 0.069 nan 8.230 nan 0.000 0.432 515 E N -0.185 119.936 120.200 -0.131 0.000 2.118 515 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 515 E C 2.280 178.793 176.600 -0.145 0.000 0.992 515 E CA 1.081 57.330 56.400 -0.252 0.000 0.804 515 E CB -0.027 29.553 29.700 -0.200 0.000 0.741 515 E HN 0.410 nan 8.360 nan 0.000 0.458 516 R N 0.131 120.592 120.500 -0.064 0.000 2.152 516 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 516 R C 1.919 178.204 176.300 -0.026 0.000 1.117 516 R CA 1.036 57.121 56.100 -0.026 0.000 0.981 516 R CB -0.084 30.216 30.300 -0.001 0.000 0.870 516 R HN 0.043 nan 8.270 nan 0.000 0.451 517 A N 0.310 123.105 122.820 -0.042 0.000 2.278 517 A HA 0.268 4.588 4.320 -0.000 0.000 0.212 517 A C 1.237 178.802 177.584 -0.031 0.000 1.213 517 A CA 0.522 52.537 52.037 -0.036 0.000 0.840 517 A CB -0.161 18.809 19.000 -0.049 0.000 0.866 517 A HN 0.415 nan 8.150 nan 0.000 0.489 518 G N -0.775 107.997 108.800 -0.046 0.000 2.160 518 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.244 518 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.244 518 G C -0.059 174.833 174.900 -0.013 0.000 1.022 518 G CA 0.443 45.535 45.100 -0.013 0.000 0.741 518 G HN 0.513 nan 8.290 nan 0.000 0.508 519 I N 1.225 121.732 120.570 -0.105 0.000 2.418 519 I HA 0.344 4.514 4.170 -0.000 0.000 0.287 519 I C -0.103 175.931 176.117 -0.137 0.000 1.008 519 I CA -0.890 60.384 61.300 -0.044 0.000 1.104 519 I CB 1.319 39.307 38.000 -0.020 0.000 1.264 519 I HN 0.055 nan 8.210 nan 0.000 0.438 520 H N 6.473 125.598 119.070 0.091 0.000 2.597 520 H HA 0.298 4.854 4.556 -0.000 0.000 0.303 520 H C -2.297 173.127 175.328 0.160 0.000 1.057 520 H CA -1.812 54.306 56.048 0.116 0.000 1.261 520 H CB 1.231 31.057 29.762 0.107 0.000 1.397 520 H HN 0.223 nan 8.280 nan 0.000 0.461 521 P HA -0.126 nan 4.420 nan 0.000 0.262 521 P C 0.519 178.023 177.300 0.340 0.000 1.182 521 P CA 0.164 63.429 63.100 0.275 0.000 0.761 521 P CB 0.705 32.575 31.700 0.285 0.000 0.795 522 W N 4.448 125.838 121.300 0.150 0.000 2.476 522 W HA 0.191 4.851 4.660 -0.000 0.000 0.281 522 W C 0.468 177.074 176.519 0.145 0.000 1.230 522 W CA 1.598 59.019 57.345 0.127 0.000 1.287 522 W CB 0.247 29.762 29.460 0.092 0.000 1.108 522 W HN 0.459 nan 8.180 nan 0.000 0.567 523 G N -1.892 107.069 108.800 0.267 0.000 2.601 523 G HA2 0.388 4.348 3.960 -0.000 0.000 0.291 523 G HA3 0.388 4.348 3.960 -0.000 0.000 0.291 523 G C -2.431 172.693 174.900 0.374 0.000 1.456 523 G CA -0.957 44.228 45.100 0.141 0.000 0.804 523 G HN -0.040 nan 8.290 nan 0.000 0.499 524 W N 0.013 121.308 121.300 -0.010 0.000 2.666 524 W HA 0.760 5.419 4.660 -0.000 0.000 0.334 524 W C -0.210 176.316 176.519 0.011 0.000 1.051 524 W CA -0.904 56.449 57.345 0.013 0.000 1.224 524 W CB 1.815 31.279 29.460 0.008 0.000 1.405 524 W HN 0.284 nan 8.180 nan 0.000 0.513 525 I N 4.772 125.450 120.570 0.179 0.000 2.382 525 I HA 0.307 4.477 4.170 -0.000 0.000 0.286 525 I C -0.343 175.833 176.117 0.100 0.000 1.002 525 I CA -0.816 60.552 61.300 0.114 0.000 1.135 525 I CB 1.019 39.057 38.000 0.063 0.000 1.288 525 I HN 0.130 nan 8.210 nan 0.000 0.448 526 I N 5.984 126.620 120.570 0.111 0.000 2.281 526 I HA 0.169 4.339 4.170 -0.000 0.000 0.293 526 I C 0.231 176.381 176.117 0.054 0.000 1.085 526 I CA -0.171 61.186 61.300 0.096 0.000 1.257 526 I CB 0.292 38.357 38.000 0.108 0.000 1.430 526 I HN 0.572 nan 8.210 nan 0.000 0.489 527 N N 4.639 123.360 118.700 0.035 0.000 2.413 527 N HA 0.186 4.926 4.740 -0.000 0.000 0.266 527 N C 0.008 175.531 175.510 0.022 0.000 1.238 527 N CA -0.199 52.864 53.050 0.022 0.000 0.972 527 N CB 0.465 38.958 38.487 0.009 0.000 1.210 527 N HN 0.480 nan 8.380 nan 0.000 0.547 528 N N -1.073 117.637 118.700 0.017 0.000 2.705 528 N HA -0.221 4.519 4.740 -0.000 0.000 0.255 528 N C -1.424 174.100 175.510 0.023 0.000 1.008 528 N CA 0.620 53.681 53.050 0.018 0.000 0.742 528 N CB -0.839 37.657 38.487 0.015 0.000 0.906 528 N HN 0.391 nan 8.380 nan 0.000 0.541 529 S N -0.362 115.352 115.700 0.024 0.000 2.554 529 S HA 0.487 4.957 4.470 -0.000 0.000 0.278 529 S C 1.038 175.652 174.600 0.024 0.000 1.242 529 S CA -0.785 57.431 58.200 0.026 0.000 1.051 529 S CB 1.002 64.219 63.200 0.027 0.000 0.986 529 S HN 0.351 nan 8.310 nan 0.000 0.502 530 L N 3.441 124.679 121.223 0.025 0.000 2.408 530 L HA 0.087 4.427 4.340 -0.000 0.000 0.215 530 L C 2.326 179.210 176.870 0.023 0.000 1.081 530 L CA 0.579 55.434 54.840 0.025 0.000 0.840 530 L CB -0.200 41.875 42.059 0.027 0.000 1.002 530 L HN 0.818 nan 8.230 nan 0.000 0.468 531 S N -0.481 115.232 115.700 0.022 0.000 2.603 531 S HA -0.070 4.399 4.470 -0.000 0.000 0.229 531 S C 1.368 175.979 174.600 0.018 0.000 0.972 531 S CA 0.417 58.628 58.200 0.019 0.000 0.935 531 S CB -0.207 63.004 63.200 0.018 0.000 0.769 531 S HN 0.490 nan 8.310 nan 0.000 0.536 532 I N 0.131 120.712 120.570 0.019 0.000 4.050 532 I HA 0.506 4.676 4.170 -0.000 0.000 0.327 532 I C 0.195 176.324 176.117 0.021 0.000 1.473 532 I CA -0.457 60.854 61.300 0.018 0.000 1.124 532 I CB 0.356 38.365 38.000 0.016 0.000 1.129 532 I HN 0.355 nan 8.210 nan 0.000 0.428 533 A N 0.625 123.459 122.820 0.022 0.000 2.330 533 A HA 0.566 4.886 4.320 -0.000 0.000 0.329 533 A C -1.214 176.385 177.584 0.024 0.000 1.135 533 A CA -0.606 51.445 52.037 0.023 0.000 0.817 533 A CB 0.668 19.683 19.000 0.024 0.000 1.269 533 A HN 0.361 nan 8.150 nan 0.000 0.469 534 D N 1.101 121.515 120.400 0.024 0.000 2.365 534 D HA 0.487 5.127 4.640 -0.000 0.000 0.237 534 D C -0.319 175.994 176.300 0.022 0.000 1.190 534 D CA 0.062 54.076 54.000 0.023 0.000 0.867 534 D CB 0.997 41.811 40.800 0.023 0.000 1.050 534 D HN 0.359 nan 8.370 nan 0.000 0.491 535 T N 0.930 115.496 114.554 0.020 0.000 3.047 535 T HA 0.357 4.707 4.350 -0.000 0.000 0.340 535 T C -0.204 174.506 174.700 0.016 0.000 1.421 535 T CA -0.784 61.328 62.100 0.020 0.000 1.090 535 T CB 1.024 69.907 68.868 0.025 0.000 1.292 535 T HN 0.334 nan 8.240 nan 0.000 0.480 536 R N 1.567 122.075 120.500 0.012 0.000 2.397 536 R HA 0.273 4.612 4.340 -0.000 0.000 0.241 536 R C 0.777 177.080 176.300 0.005 0.000 0.914 536 R CA -0.161 55.944 56.100 0.007 0.000 1.071 536 R CB 0.550 30.852 30.300 0.004 0.000 1.116 536 R HN 0.531 nan 8.270 nan 0.000 0.524 537 S N 2.561 118.266 115.700 0.009 0.000 2.546 537 S HA 0.043 4.513 4.470 -0.000 0.000 0.290 537 S C -1.229 173.375 174.600 0.007 0.000 1.262 537 S CA -1.314 56.891 58.200 0.007 0.000 1.083 537 S CB 0.726 63.937 63.200 0.018 0.000 0.859 537 S HN 0.049 nan 8.310 nan 0.000 0.495 538 P HA -0.144 nan 4.420 nan 0.000 0.215 538 P C 1.626 178.929 177.300 0.006 0.000 1.153 538 P CA 0.652 63.753 63.100 0.001 0.000 0.853 538 P CB 0.014 31.710 31.700 -0.006 0.000 0.788 539 L N -0.583 120.645 121.223 0.009 0.000 2.017 539 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 539 L C 2.447 179.332 176.870 0.025 0.000 1.073 539 L CA 1.742 56.592 54.840 0.018 0.000 0.745 539 L CB -1.452 40.621 42.059 0.024 0.000 0.894 539 L HN -0.180 nan 8.230 nan 0.000 0.432 540 L N -0.478 120.762 121.223 0.028 0.000 2.083 540 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 540 L C 2.748 179.633 176.870 0.024 0.000 1.083 540 L CA 1.641 56.499 54.840 0.031 0.000 0.752 540 L CB -1.229 40.851 42.059 0.034 0.000 0.899 540 L HN 0.374 nan 8.230 nan 0.000 0.433 541 R N -1.230 119.281 120.500 0.019 0.000 2.120 541 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 541 R C 2.141 178.449 176.300 0.015 0.000 1.123 541 R CA 1.191 57.300 56.100 0.015 0.000 0.975 541 R CB -0.232 30.075 30.300 0.011 0.000 0.866 541 R HN 0.164 nan 8.270 nan 0.000 0.446 542 M N 0.244 119.853 119.600 0.014 0.000 2.200 542 M HA -0.065 4.415 4.480 -0.000 0.000 0.265 542 M C 1.767 178.077 176.300 0.016 0.000 1.066 542 M CA 1.566 56.874 55.300 0.013 0.000 1.127 542 M CB 0.097 32.704 32.600 0.012 0.000 1.379 542 M HN -0.149 nan 8.290 nan 0.000 0.420 543 R N -0.142 120.370 120.500 0.021 0.000 2.075 543 R HA 0.109 4.448 4.340 -0.000 0.000 0.232 543 R C 2.194 178.507 176.300 0.021 0.000 1.126 543 R CA 1.477 57.591 56.100 0.023 0.000 0.963 543 R CB -1.642 28.675 30.300 0.029 0.000 0.858 543 R HN 0.486 nan 8.270 nan 0.000 0.435 544 A N 1.051 123.884 122.820 0.021 0.000 1.940 544 A HA -0.244 4.075 4.320 -0.000 0.000 0.219 544 A C 2.156 179.750 177.584 0.017 0.000 1.176 544 A CA 1.772 53.821 52.037 0.020 0.000 0.631 544 A CB -0.473 18.538 19.000 0.019 0.000 0.814 544 A HN 0.453 nan 8.150 nan 0.000 0.446 545 Q N -1.177 118.632 119.800 0.014 0.000 2.172 545 Q HA -0.163 4.176 4.340 -0.000 0.000 0.200 545 Q C 1.951 177.958 176.000 0.011 0.000 0.964 545 Q CA 1.098 56.908 55.803 0.011 0.000 0.855 545 Q CB -0.109 28.634 28.738 0.009 0.000 0.918 545 Q HN 0.623 nan 8.270 nan 0.000 0.444 546 Q N 0.567 120.374 119.800 0.012 0.000 2.226 546 Q HA -0.173 4.166 4.340 -0.000 0.000 0.204 546 Q C 1.451 177.460 176.000 0.015 0.000 0.975 546 Q CA 1.332 57.142 55.803 0.012 0.000 0.866 546 Q CB 0.064 28.809 28.738 0.013 0.000 0.915 546 Q HN 0.611 nan 8.270 nan 0.000 0.440 547 E N 0.405 120.616 120.200 0.018 0.000 2.274 547 E HA -0.058 4.291 4.350 -0.000 0.000 0.194 547 E C 2.110 178.723 176.600 0.022 0.000 0.996 547 E CA 0.098 56.512 56.400 0.023 0.000 0.840 547 E CB -0.081 29.634 29.700 0.026 0.000 0.772 547 E HN 0.296 nan 8.360 nan 0.000 0.491 548 L N 0.965 122.197 121.223 0.015 0.000 1.990 548 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 548 L C -0.455 176.419 176.870 0.008 0.000 1.072 548 L CA 1.642 56.488 54.840 0.010 0.000 0.755 548 L CB -1.777 40.285 42.059 0.005 0.000 0.889 548 L HN 0.134 nan 8.230 nan 0.000 0.432 549 P HA -0.156 nan 4.420 nan 0.000 0.217 549 P C 1.449 178.757 177.300 0.014 0.000 1.150 549 P CA 1.081 64.184 63.100 0.005 0.000 0.832 549 P CB 0.071 31.774 31.700 0.006 0.000 0.787 550 Q N -0.628 119.189 119.800 0.029 0.000 2.046 550 Q HA -0.066 4.274 4.340 -0.000 0.000 0.200 550 Q C 2.161 178.195 176.000 0.056 0.000 0.975 550 Q CA 1.332 57.166 55.803 0.053 0.000 0.836 550 Q CB -1.079 27.696 28.738 0.061 0.000 0.896 550 Q HN 0.259 nan 8.270 nan 0.000 0.428 551 I N 0.414 121.008 120.570 0.041 0.000 2.361 551 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 551 I C 2.187 178.308 176.117 0.005 0.000 1.133 551 I CA 0.845 62.167 61.300 0.035 0.000 1.413 551 I CB -0.209 37.807 38.000 0.027 0.000 1.073 551 I HN 0.218 nan 8.210 nan 0.000 0.424 552 E N 1.037 121.233 120.200 -0.007 0.000 2.028 552 E HA -0.178 4.171 4.350 -0.000 0.000 0.191 552 E C 2.402 178.963 176.600 -0.065 0.000 0.988 552 E CA 1.877 58.257 56.400 -0.034 0.000 0.799 552 E CB -0.162 29.520 29.700 -0.030 0.000 0.755 552 E HN 0.505 nan 8.360 nan 0.000 0.447 553 S N -0.097 115.571 115.700 -0.054 0.000 2.419 553 S HA -0.098 4.372 4.470 -0.000 0.000 0.233 553 S C 2.215 176.704 174.600 -0.185 0.000 1.016 553 S CA 1.196 59.323 58.200 -0.122 0.000 0.974 553 S CB -0.486 62.681 63.200 -0.054 0.000 0.786 553 S HN 0.039 nan 8.310 nan 0.000 0.492 554 V N 2.080 121.962 119.914 -0.053 0.000 2.379 554 V HA -0.085 4.035 4.120 -0.000 0.000 0.245 554 V C 2.745 178.690 176.094 -0.247 0.000 1.044 554 V CA 1.984 64.211 62.300 -0.122 0.000 1.036 554 V CB -0.676 31.142 31.823 -0.008 0.000 0.664 554 V HN 0.519 nan 8.190 nan 0.000 0.453 555 K N -0.128 120.180 120.400 -0.155 0.000 2.097 555 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 555 K C 2.236 178.730 176.600 -0.175 0.000 1.049 555 K CA 1.510 57.708 56.287 -0.149 0.000 0.933 555 K CB 0.022 32.467 32.500 -0.092 0.000 0.717 555 K HN 0.314 nan 8.250 nan 0.000 0.442 556 R N -1.110 119.279 120.500 -0.186 0.000 2.282 556 R HA 0.080 4.420 4.340 -0.000 0.000 0.195 556 R C 1.801 177.961 176.300 -0.233 0.000 0.909 556 R CA 0.288 56.280 56.100 -0.180 0.000 1.039 556 R CB 0.478 30.696 30.300 -0.137 0.000 1.015 556 R HN 0.201 nan 8.270 nan 0.000 0.513 557 Q N -1.221 118.363 119.800 -0.359 0.000 2.245 557 Q HA 0.073 4.412 4.340 -0.000 0.000 0.250 557 Q C 0.521 176.198 176.000 -0.539 0.000 0.830 557 Q CA 0.357 55.881 55.803 -0.465 0.000 0.950 557 Q CB 0.731 29.107 28.738 -0.605 0.000 1.124 557 Q HN 0.461 nan 8.270 nan 0.000 0.502 558 H N -1.230 117.601 119.070 -0.398 0.000 2.735 558 H HA 0.492 5.048 4.556 -0.000 0.000 0.250 558 H C -0.150 174.700 175.328 -0.796 0.000 0.948 558 H CA 0.193 55.866 56.048 -0.625 0.000 1.137 558 H CB 1.387 30.496 29.762 -1.088 0.000 1.440 558 H HN 0.141 nan 8.280 nan 0.000 0.444 559 A N 0.365 122.786 122.820 -0.664 0.000 2.413 559 A HA 0.471 4.790 4.320 -0.000 0.000 0.307 559 A C 0.752 178.164 177.584 -0.287 0.000 1.087 559 A CA -0.147 51.554 52.037 -0.560 0.000 0.750 559 A CB 1.302 19.847 19.000 -0.758 0.000 1.296 559 A HN 0.278 nan 8.150 nan 0.000 0.423 560 S N 1.086 116.662 115.700 -0.207 0.000 2.387 560 S HA 0.140 4.610 4.470 -0.000 0.000 0.221 560 S C 0.772 175.244 174.600 -0.213 0.000 1.041 560 S CA 0.360 58.447 58.200 -0.188 0.000 0.959 560 S CB -0.079 63.014 63.200 -0.178 0.000 0.843 560 S HN 0.648 nan 8.310 nan 0.000 0.488 561 R N 0.899 121.242 120.500 -0.262 0.000 2.393 561 R HA 0.716 5.056 4.340 -0.000 0.000 0.315 561 R C -1.748 174.465 176.300 -0.145 0.000 0.952 561 R CA -0.370 55.559 56.100 -0.285 0.000 0.842 561 R CB 2.062 32.002 30.300 -0.600 0.000 1.163 561 R HN 0.141 nan 8.270 nan 0.000 0.450 562 V N 1.615 121.479 119.914 -0.084 0.000 2.823 562 V HA 0.795 4.914 4.120 -0.000 0.000 0.312 562 V C -0.507 175.595 176.094 0.014 0.000 1.072 562 V CA -0.925 61.378 62.300 0.004 0.000 0.937 562 V CB 1.981 33.801 31.823 -0.005 0.000 1.013 562 V HN 0.884 nan 8.190 nan 0.000 0.430 563 A N 3.891 126.743 122.820 0.054 0.000 2.401 563 A HA 0.892 5.212 4.320 -0.000 0.000 0.310 563 A C -1.326 176.285 177.584 0.045 0.000 1.075 563 A CA -0.581 51.480 52.037 0.040 0.000 0.746 563 A CB 1.592 20.621 19.000 0.048 0.000 1.277 563 A HN 0.754 nan 8.150 nan 0.000 0.425 564 L N 2.209 123.448 121.223 0.026 0.000 2.329 564 L HA 0.685 5.025 4.340 -0.000 0.000 0.279 564 L C -1.176 175.705 176.870 0.017 0.000 1.014 564 L CA -0.748 54.108 54.840 0.025 0.000 0.814 564 L CB 1.872 43.941 42.059 0.017 0.000 1.257 564 L HN 0.513 nan 8.230 nan 0.000 0.424 565 V N 4.788 124.714 119.914 0.021 0.000 2.638 565 V HA 0.463 4.583 4.120 -0.000 0.000 0.306 565 V C -2.255 173.849 176.094 0.017 0.000 1.052 565 V CA -1.390 60.919 62.300 0.015 0.000 0.885 565 V CB 2.372 34.204 31.823 0.015 0.000 0.999 565 V HN 0.624 nan 8.190 nan 0.000 0.424 566 P HA 0.279 nan 4.420 nan 0.000 0.279 566 P C -0.576 176.735 177.300 0.017 0.000 1.252 566 P CA -0.258 62.853 63.100 0.018 0.000 0.811 566 P CB 1.493 33.204 31.700 0.018 0.000 1.035 567 V N 3.666 123.592 119.914 0.020 0.000 2.479 567 V HA -0.006 4.114 4.120 -0.000 0.000 0.281 567 V C 1.935 178.041 176.094 0.020 0.000 1.031 567 V CA 0.226 62.538 62.300 0.020 0.000 1.038 567 V CB 0.053 31.891 31.823 0.024 0.000 0.981 567 V HN 0.506 nan 8.190 nan 0.000 0.478 568 L N 4.188 125.421 121.223 0.017 0.000 2.554 568 L HA 0.287 4.627 4.340 -0.000 0.000 0.226 568 L C 1.203 178.085 176.870 0.020 0.000 1.137 568 L CA 0.955 55.805 54.840 0.016 0.000 0.863 568 L CB -0.335 41.730 42.059 0.011 0.000 0.985 568 L HN 0.996 nan 8.230 nan 0.000 0.451 569 A N -0.350 122.483 122.820 0.022 0.000 2.770 569 A HA -0.137 4.183 4.320 -0.000 0.000 0.674 569 A C 0.828 178.424 177.584 0.020 0.000 0.315 569 A CA 0.127 52.181 52.037 0.027 0.000 0.133 569 A CB -1.408 17.613 19.000 0.035 0.000 3.903 569 A HN 0.934 nan 8.150 nan 0.000 0.543 570 S N -0.864 114.848 115.700 0.020 0.000 3.238 570 S HA -0.041 4.429 4.470 -0.000 0.000 0.635 570 S C -0.315 174.289 174.600 0.008 0.000 2.771 570 S CA 1.795 60.003 58.200 0.013 0.000 2.973 570 S CB -0.749 62.459 63.200 0.014 0.000 0.332 570 S HN 2.339 nan 8.310 nan 0.000 1.788 571 E N 2.118 122.321 120.200 0.005 0.000 2.212 571 E HA 0.579 4.929 4.350 -0.000 0.000 0.268 571 E C -2.433 174.168 176.600 0.002 0.000 0.902 571 E CA -1.937 54.465 56.400 0.003 0.000 0.779 571 E CB 1.369 31.070 29.700 0.002 0.000 1.172 571 E HN 0.535 nan 8.360 nan 0.000 0.409 572 P HA 0.068 nan 4.420 nan 0.000 0.220 572 P C -0.069 177.228 177.300 -0.006 0.000 1.806 572 P CA 0.018 63.115 63.100 -0.005 0.000 0.976 572 P CB 0.172 31.869 31.700 -0.005 0.000 1.952 573 T N -0.689 113.863 114.554 -0.003 0.000 2.857 573 T HA 0.035 4.385 4.350 -0.000 0.000 0.266 573 T C 1.157 175.854 174.700 -0.006 0.000 1.048 573 T CA 1.318 63.420 62.100 0.004 0.000 1.139 573 T CB 0.001 68.876 68.868 0.012 0.000 0.874 573 T HN 0.380 nan 8.240 nan 0.000 0.455 574 G N -0.039 108.739 108.800 -0.036 0.000 2.481 574 G HA2 0.536 4.496 3.960 -0.000 0.000 0.315 574 G HA3 0.536 4.496 3.960 -0.000 0.000 0.315 574 G C 1.043 175.846 174.900 -0.160 0.000 1.231 574 G CA -0.886 44.152 45.100 -0.104 0.000 0.968 574 G HN 0.313 nan 8.290 nan 0.000 0.482 575 I N -0.522 119.857 120.570 -0.318 0.000 2.188 575 I HA -0.345 3.825 4.170 -0.000 0.000 0.246 575 I C 1.677 177.712 176.117 -0.137 0.000 1.033 575 I CA 2.143 63.286 61.300 -0.262 0.000 1.307 575 I CB -0.491 37.280 38.000 -0.381 0.000 1.005 575 I HN 0.291 nan 8.210 nan 0.000 0.421 576 D N 1.716 122.046 120.400 -0.117 0.000 2.108 576 D HA -0.165 4.475 4.640 -0.000 0.000 0.190 576 D C 2.218 178.490 176.300 -0.046 0.000 0.995 576 D CA 1.581 55.543 54.000 -0.064 0.000 0.834 576 D CB -0.319 40.454 40.800 -0.046 0.000 0.967 576 D HN 0.380 nan 8.370 nan 0.000 0.446 577 K N 0.119 120.494 120.400 -0.043 0.000 2.074 577 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 577 K C 2.167 178.751 176.600 -0.027 0.000 1.048 577 K CA 0.382 56.653 56.287 -0.027 0.000 0.926 577 K CB -0.803 31.684 32.500 -0.022 0.000 0.713 577 K HN 0.151 nan 8.250 nan 0.000 0.444 578 L N 1.766 122.964 121.223 -0.041 0.000 2.191 578 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 578 L C 1.969 178.820 176.870 -0.032 0.000 1.103 578 L CA 1.704 56.522 54.840 -0.036 0.000 0.769 578 L CB -0.179 41.850 42.059 -0.050 0.000 0.908 578 L HN 0.086 nan 8.230 nan 0.000 0.438 579 K N -1.500 118.878 120.400 -0.036 0.000 2.296 579 K HA -0.069 4.250 4.320 -0.000 0.000 0.200 579 K C 1.976 178.568 176.600 -0.013 0.000 1.048 579 K CA 0.668 56.940 56.287 -0.026 0.000 0.966 579 K CB 0.051 32.535 32.500 -0.028 0.000 0.754 579 K HN 0.443 nan 8.250 nan 0.000 0.466 580 Q N 0.497 120.291 119.800 -0.010 0.000 2.230 580 Q HA -0.015 4.325 4.340 -0.000 0.000 0.202 580 Q C 1.905 177.907 176.000 0.003 0.000 0.963 580 Q CA 0.723 56.527 55.803 0.002 0.000 0.866 580 Q CB 0.095 28.835 28.738 0.003 0.000 0.931 580 Q HN 0.268 nan 8.270 nan 0.000 0.452 581 L N -0.144 121.078 121.223 -0.003 0.000 2.093 581 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 581 L C 2.454 179.320 176.870 -0.006 0.000 1.085 581 L CA 0.950 55.789 54.840 -0.002 0.000 0.755 581 L CB -0.568 41.489 42.059 -0.004 0.000 0.904 581 L HN 0.174 nan 8.230 nan 0.000 0.435 582 A N -0.155 122.658 122.820 -0.011 0.000 1.933 582 A HA 0.218 4.537 4.320 -0.000 0.000 0.218 582 A C 1.516 179.083 177.584 -0.028 0.000 1.175 582 A CA 1.223 53.248 52.037 -0.021 0.000 0.628 582 A CB -0.805 18.178 19.000 -0.028 0.000 0.814 582 A HN 0.515 nan 8.150 nan 0.000 0.444 583 G N -0.988 107.806 108.800 -0.010 0.000 2.632 583 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.224 583 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.224 583 G C -0.020 174.881 174.900 0.002 0.000 1.341 583 G CA 0.092 45.186 45.100 -0.010 0.000 0.880 583 G HN 1.506 nan 8.290 nan 0.000 0.566 584 H N -0.736 118.307 119.070 -0.044 0.000 2.915 584 H HA 0.759 5.315 4.556 -0.000 0.000 0.298 584 H C 0.385 175.661 175.328 -0.086 0.000 1.516 584 H CA -0.237 55.767 56.048 -0.073 0.000 1.480 584 H CB 0.858 30.566 29.762 -0.091 0.000 1.847 584 H HN 0.709 nan 8.280 nan 0.000 0.806 585 H N -0.134 118.896 119.070 -0.066 0.000 2.408 585 H HA 0.107 4.662 4.556 -0.000 0.000 0.352 585 H C 0.676 175.751 175.328 -0.421 0.000 1.607 585 H CA 1.009 56.949 56.048 -0.180 0.000 1.445 585 H CB 0.089 29.807 29.762 -0.072 0.000 1.664 585 H HN 0.929 nan 8.280 nan 0.000 0.605 586 H N 0.000 119.132 119.070 0.104 0.000 2.539 586 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 586 H CA 0.000 56.009 56.048 -0.066 0.000 1.023 586 H CB 0.000 29.704 29.762 -0.096 0.000 1.292 586 H HN 0.000 nan 8.280 nan 0.000 0.496