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 1x1n_1_A DATA FIRST_RESID 2 DATA SEQUENCE VPAVGEDFPI DYADWLPKRD PNDRRRAGIL LHPTSFPGPY GIGDLGPQAF DATA SEQUENCE KFLDWLHLAG CSLWQVLPLV PPGKRGNEDG SPYSGQDANC GNTLLISLEE DATA SEQUENCE LVDDGLLKME ELPEPLPTDR VNYSTISEIK DPLITKAAKR LLSSEGELKD DATA SEQUENCE QLENFRRDPN ISSWLEDAAY FAAIDNSVNT ISWYDWPEPL KNRHLAALEE DATA SEQUENCE VYQSEKDFID IFIAQQFLFQ RQWKKVRDYA RSKGISIMGD MPIYVGYHSA DATA SEQUENCE DVWANKKQFL LNRKGFPLIV SGVPPDAFSE TGQLWGSPLY DWKAMEKDGF DATA SEQUENCE SWWVRRIQRA TDLFDEFRID HFRGFAGFWA VPSEEKIAIL GRWKVGPGKP DATA SEQUENCE LFDAILQAVG KINIIAEDLG VITEDVVQLR KSIEAPGMAV LQFAFGSDAE DATA SEQUENCE NPHLPHNHEQ NQVVYTGTHD NDTIRGWWDT LPQEEKSNVL KYLSNIEEEE DATA SEQUENCE ISRGLIEGAV SSVARIAIIP MQDVLGLGSD SRMNIPATQF GNWSWRIPSS DATA SEQUENCE TSFDNLDAEA KKLRDILATY GRL 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.106 176.094 0.020 0.000 1.182 2 V CA 0.000 62.401 62.300 0.169 0.000 1.235 2 V CB 0.000 32.048 31.823 0.375 0.000 1.184 3 P HA 0.673 nan 4.420 nan 0.000 0.272 3 P C 0.085 177.295 177.300 -0.150 0.000 1.254 3 P CA 0.308 63.324 63.100 -0.139 0.000 0.795 3 P CB 0.105 31.671 31.700 -0.223 0.000 1.022 4 A N 0.207 122.956 122.820 -0.118 0.000 2.445 4 A HA 0.220 4.521 4.320 -0.031 0.000 0.242 4 A C 0.117 177.624 177.584 -0.130 0.000 1.075 4 A CA -0.554 51.426 52.037 -0.094 0.000 0.777 4 A CB -0.224 18.736 19.000 -0.067 0.000 1.013 4 A HN 0.395 nan 8.150 nan 0.000 0.493 5 V N 2.079 121.938 119.914 -0.092 0.000 2.584 5 V HA 0.333 4.434 4.120 -0.031 0.000 0.303 5 V C 1.662 177.699 176.094 -0.095 0.000 1.035 5 V CA 1.981 64.227 62.300 -0.090 0.000 1.172 5 V CB -0.220 31.576 31.823 -0.045 0.000 0.896 5 V HN 1.970 nan 8.190 nan 0.000 0.486 6 G N 3.436 112.166 108.800 -0.117 0.000 2.213 6 G HA2 -0.163 3.778 3.960 -0.031 0.000 0.236 6 G HA3 -0.163 3.778 3.960 -0.031 0.000 0.236 6 G C 0.127 174.956 174.900 -0.118 0.000 0.991 6 G CA -0.024 45.019 45.100 -0.095 0.000 0.629 6 G HN 0.602 nan 8.290 nan 0.000 0.517 7 E N 1.287 121.389 120.200 -0.164 0.000 2.312 7 E HA 0.386 4.717 4.350 -0.031 0.000 0.259 7 E C -0.305 176.162 176.600 -0.222 0.000 1.122 7 E CA -0.605 55.697 56.400 -0.164 0.000 0.922 7 E CB 0.430 30.039 29.700 -0.152 0.000 1.109 7 E HN 0.269 nan 8.360 nan 0.000 0.442 8 D N 0.778 121.090 120.400 -0.147 0.000 2.425 8 D HA 0.075 4.697 4.640 -0.031 0.000 0.247 8 D C -0.096 176.119 176.300 -0.142 0.000 1.147 8 D CA 0.329 54.264 54.000 -0.108 0.000 0.879 8 D CB 0.128 40.906 40.800 -0.036 0.000 1.179 8 D HN 0.105 nan 8.370 nan 0.000 0.456 9 F N 1.876 121.775 119.950 -0.085 0.000 2.403 9 F HA 0.251 4.759 4.527 -0.031 0.000 0.320 9 F C -1.214 174.587 175.800 0.001 0.000 1.176 9 F CA -1.858 56.108 58.000 -0.056 0.000 1.206 9 F CB -0.288 38.596 39.000 -0.195 0.000 1.235 9 F HN 0.154 nan 8.300 nan 0.000 0.565 10 P HA 0.040 nan 4.420 nan 0.000 0.269 10 P C 0.638 178.043 177.300 0.175 0.000 1.217 10 P CA 0.041 63.244 63.100 0.173 0.000 0.783 10 P CB 0.447 32.226 31.700 0.132 0.000 0.898 11 I N 0.823 121.461 120.570 0.113 0.000 2.423 11 I HA -0.209 3.942 4.170 -0.031 0.000 0.254 11 I C 1.405 177.590 176.117 0.115 0.000 1.151 11 I CA 1.572 62.932 61.300 0.101 0.000 1.421 11 I CB -1.076 36.962 38.000 0.063 0.000 1.079 11 I HN 0.372 nan 8.210 nan 0.000 0.431 12 D N -0.784 119.681 120.400 0.109 0.000 2.336 12 D HA -0.146 4.475 4.640 -0.031 0.000 0.228 12 D C 1.764 178.133 176.300 0.115 0.000 1.120 12 D CA -0.321 53.731 54.000 0.087 0.000 0.839 12 D CB -0.754 40.071 40.800 0.043 0.000 0.932 12 D HN 0.438 nan 8.370 nan 0.000 0.509 13 Y N 2.163 122.481 120.300 0.030 0.000 2.102 13 Y HA -0.275 4.257 4.550 -0.031 0.000 0.280 13 Y C 2.363 178.287 175.900 0.041 0.000 1.178 13 Y CA 2.454 60.559 58.100 0.009 0.000 1.146 13 Y CB -0.417 38.007 38.460 -0.061 0.000 0.968 13 Y HN 0.106 nan 8.280 nan 0.000 0.504 14 A N -0.446 122.384 122.820 0.018 0.000 2.216 14 A HA -0.118 4.184 4.320 -0.031 0.000 0.214 14 A C 1.539 179.076 177.584 -0.079 0.000 1.160 14 A CA 1.553 53.543 52.037 -0.079 0.000 0.725 14 A CB -0.572 18.447 19.000 0.032 0.000 0.784 14 A HN 0.587 nan 8.150 nan 0.000 0.472 15 D N -1.999 118.384 120.400 -0.028 0.000 2.348 15 D HA -0.041 4.580 4.640 -0.031 0.000 0.211 15 D C 0.354 176.680 176.300 0.043 0.000 0.998 15 D CA 0.137 54.137 54.000 0.001 0.000 0.873 15 D CB -0.176 40.632 40.800 0.015 0.000 0.925 15 D HN 0.669 nan 8.370 nan 0.000 0.524 16 W N 3.196 124.355 121.300 -0.234 0.000 1.371 16 W HA 0.242 4.883 4.660 -0.031 0.000 0.482 16 W C -0.316 176.067 176.519 -0.226 0.000 0.640 16 W CA -0.982 56.222 57.345 -0.236 0.000 2.164 16 W CB -1.160 28.103 29.460 -0.328 0.000 1.613 16 W HN -0.178 nan 8.180 nan 0.000 0.212 17 L N 4.979 126.187 121.223 -0.024 0.000 2.453 17 L HA 0.291 4.612 4.340 -0.031 0.000 0.261 17 L C -1.155 175.630 176.870 -0.142 0.000 1.179 17 L CA -1.979 52.788 54.840 -0.121 0.000 0.813 17 L CB -0.224 41.796 42.059 -0.066 0.000 1.110 17 L HN 0.004 nan 8.230 nan 0.000 0.466 18 P HA 0.098 nan 4.420 nan 0.000 0.268 18 P C -1.104 176.149 177.300 -0.078 0.000 1.204 18 P CA -0.097 62.910 63.100 -0.154 0.000 0.768 18 P CB 0.361 31.979 31.700 -0.137 0.000 0.842 19 K N 2.907 123.274 120.400 -0.056 0.000 2.249 19 K HA 0.286 4.587 4.320 -0.031 0.000 0.280 19 K C 0.229 176.817 176.600 -0.020 0.000 1.033 19 K CA -0.336 55.942 56.287 -0.015 0.000 0.946 19 K CB 0.802 33.311 32.500 0.014 0.000 1.005 19 K HN 0.320 nan 8.250 nan 0.000 0.469 20 R N 2.200 122.693 120.500 -0.012 0.000 2.215 20 R HA 0.077 4.399 4.340 -0.031 0.000 0.336 20 R C -0.829 175.468 176.300 -0.006 0.000 0.996 20 R CA -0.780 55.313 56.100 -0.012 0.000 0.847 20 R CB 0.708 31.000 30.300 -0.013 0.000 1.127 20 R HN 0.547 nan 8.270 nan 0.000 0.465 21 D N 4.086 124.482 120.400 -0.007 0.000 2.371 21 D HA 0.068 4.689 4.640 -0.031 0.000 0.256 21 D C -1.472 174.825 176.300 -0.004 0.000 1.193 21 D CA -2.163 51.835 54.000 -0.003 0.000 0.881 21 D CB 1.395 42.192 40.800 -0.005 0.000 1.143 21 D HN 0.182 nan 8.370 nan 0.000 0.473 22 P HA -0.131 nan 4.420 nan 0.000 0.218 22 P C 0.658 177.958 177.300 -0.001 0.000 1.146 22 P CA 0.793 63.894 63.100 0.001 0.000 0.813 22 P CB 0.198 31.901 31.700 0.005 0.000 0.778 23 N N -0.618 118.080 118.700 -0.003 0.000 2.453 23 N HA -0.104 4.618 4.740 -0.031 0.000 0.183 23 N C 0.779 176.280 175.510 -0.014 0.000 1.041 23 N CA 1.047 54.092 53.050 -0.008 0.000 0.900 23 N CB -0.561 37.919 38.487 -0.012 0.000 0.961 23 N HN 0.228 nan 8.380 nan 0.000 0.443 24 D N 0.343 120.735 120.400 -0.013 0.000 2.339 24 D HA -0.019 4.603 4.640 -0.031 0.000 0.217 24 D C 0.647 176.940 176.300 -0.012 0.000 1.050 24 D CA -0.035 53.955 54.000 -0.016 0.000 0.856 24 D CB 0.170 40.960 40.800 -0.016 0.000 0.922 24 D HN 0.239 nan 8.370 nan 0.000 0.518 25 R N 1.538 122.033 120.500 -0.008 0.000 2.537 25 R HA 0.010 4.331 4.340 -0.031 0.000 0.281 25 R C -0.123 176.173 176.300 -0.006 0.000 0.988 25 R CA 0.004 56.100 56.100 -0.006 0.000 1.077 25 R CB 0.460 30.758 30.300 -0.003 0.000 0.932 25 R HN -0.131 nan 8.270 nan 0.000 0.409 26 R N 3.957 124.455 120.500 -0.003 0.000 2.347 26 R HA 0.204 4.526 4.340 -0.031 0.000 0.304 26 R C -0.146 176.154 176.300 -0.001 0.000 1.072 26 R CA 0.087 56.186 56.100 -0.001 0.000 0.980 26 R CB 0.892 31.199 30.300 0.011 0.000 0.986 26 R HN 0.581 nan 8.270 nan 0.000 0.448 27 R N 1.014 121.511 120.500 -0.004 0.000 2.837 27 R HA 0.666 4.988 4.340 -0.031 0.000 0.271 27 R C -1.239 175.060 176.300 -0.002 0.000 0.993 27 R CA -0.929 55.170 56.100 -0.001 0.000 0.931 27 R CB 2.325 32.628 30.300 0.006 0.000 1.206 27 R HN 0.604 nan 8.270 nan 0.000 0.474 28 A N 0.391 123.214 122.820 0.006 0.000 2.413 28 A HA 0.893 5.194 4.320 -0.031 0.000 0.307 28 A C -0.761 176.851 177.584 0.045 0.000 1.087 28 A CA -0.606 51.440 52.037 0.014 0.000 0.750 28 A CB 2.057 21.067 19.000 0.017 0.000 1.296 28 A HN 0.753 nan 8.150 nan 0.000 0.423 29 G N -0.054 108.790 108.800 0.074 0.000 2.694 29 G HA2 0.596 4.537 3.960 -0.031 0.000 0.290 29 G HA3 0.596 4.537 3.960 -0.031 0.000 0.290 29 G C -1.419 173.621 174.900 0.232 0.000 1.386 29 G CA -0.491 44.706 45.100 0.161 0.000 0.872 29 G HN 0.504 nan 8.290 nan 0.000 0.475 30 I N 0.749 121.548 120.570 0.381 0.000 2.474 30 I HA 0.350 4.501 4.170 -0.031 0.000 0.294 30 I C -0.707 175.752 176.117 0.571 0.000 1.005 30 I CA -0.790 60.800 61.300 0.482 0.000 1.113 30 I CB 1.630 40.017 38.000 0.645 0.000 1.289 30 I HN 0.383 nan 8.210 nan 0.000 0.436 31 L N 8.042 129.543 121.223 0.463 0.000 2.278 31 L HA 0.557 4.878 4.340 -0.031 0.000 0.287 31 L C -1.119 176.025 176.870 0.456 0.000 1.072 31 L CA -0.054 55.057 54.840 0.450 0.000 0.819 31 L CB 0.792 43.080 42.059 0.381 0.000 1.176 31 L HN 0.503 nan 8.230 nan 0.000 0.435 32 L N 5.225 126.760 121.223 0.520 0.000 2.661 32 L HA 0.376 4.697 4.340 -0.031 0.000 0.263 32 L C -1.276 175.823 176.870 0.383 0.000 0.956 32 L CA -0.345 54.738 54.840 0.405 0.000 0.918 32 L CB 1.058 43.210 42.059 0.155 0.000 1.280 32 L HN 0.727 nan 8.230 nan 0.000 0.416 33 H N 6.467 125.627 119.070 0.150 0.000 2.764 33 H HA 0.379 4.917 4.556 -0.031 0.000 0.341 33 H C -1.816 173.390 175.328 -0.202 0.000 1.072 33 H CA -1.327 54.733 56.048 0.020 0.000 1.444 33 H CB 1.385 31.180 29.762 0.054 0.000 1.458 33 H HN 0.430 nan 8.280 nan 0.000 0.572 34 P HA -0.168 nan 4.420 nan 0.000 0.219 34 P C 1.226 178.156 177.300 -0.616 0.000 1.146 34 P CA 1.816 64.359 63.100 -0.927 0.000 0.808 34 P CB -0.102 31.404 31.700 -0.324 0.000 0.779 35 T N -3.512 110.853 114.554 -0.315 0.000 2.849 35 T HA -0.097 4.235 4.350 -0.031 0.000 0.270 35 T C 1.789 176.435 174.700 -0.089 0.000 1.066 35 T CA 1.496 63.564 62.100 -0.054 0.000 1.130 35 T CB -1.262 67.718 68.868 0.187 0.000 0.864 35 T HN 0.010 nan 8.240 nan 0.000 0.481 36 S N 0.642 116.241 115.700 -0.168 0.000 2.522 36 S HA 0.277 4.728 4.470 -0.031 0.000 0.227 36 S C 0.144 174.590 174.600 -0.257 0.000 0.986 36 S CA -0.311 57.732 58.200 -0.262 0.000 0.929 36 S CB -0.449 62.651 63.200 -0.166 0.000 0.769 36 S HN 0.438 nan 8.310 nan 0.000 0.529 37 F N 3.299 123.178 119.950 -0.119 0.000 2.553 37 F HA 0.237 4.745 4.527 -0.031 0.000 0.356 37 F C -1.526 174.184 175.800 -0.150 0.000 1.142 37 F CA -2.768 55.179 58.000 -0.088 0.000 1.322 37 F CB -0.348 38.654 39.000 0.004 0.000 1.126 37 F HN 0.027 nan 8.300 nan 0.000 0.599 38 P HA 0.511 nan 4.420 nan 0.000 0.279 38 P C -0.242 177.030 177.300 -0.046 0.000 1.282 38 P CA -0.143 62.898 63.100 -0.098 0.000 0.788 38 P CB 1.385 32.969 31.700 -0.194 0.000 1.139 39 G N -0.728 108.012 108.800 -0.101 0.000 2.359 39 G HA2 0.117 4.059 3.960 -0.031 0.000 0.314 39 G HA3 0.117 4.059 3.960 -0.031 0.000 0.314 39 G C -2.775 171.993 174.900 -0.219 0.000 1.364 39 G CA -0.510 44.511 45.100 -0.133 0.000 0.978 39 G HN 0.354 nan 8.290 nan 0.000 0.615 40 P HA 0.184 nan 4.420 nan 0.000 0.255 40 P C 0.014 177.001 177.300 -0.522 0.000 1.248 40 P CA 0.620 63.400 63.100 -0.533 0.000 0.807 40 P CB -0.098 31.181 31.700 -0.701 0.000 1.150 41 Y N -0.746 119.548 120.300 -0.010 0.000 2.720 41 Y HA 0.460 4.992 4.550 -0.030 0.000 0.277 41 Y C 1.727 177.617 175.900 -0.016 0.000 1.144 41 Y CA -0.104 57.992 58.100 -0.007 0.000 1.221 41 Y CB 0.265 38.729 38.460 0.006 0.000 1.163 41 Y HN 0.033 nan 8.280 nan 0.000 0.537 42 G N 1.074 109.903 108.800 0.048 0.000 2.225 42 G HA2 -0.322 3.619 3.960 -0.031 0.000 0.254 42 G HA3 -0.322 3.619 3.960 -0.031 0.000 0.254 42 G C -0.129 174.750 174.900 -0.035 0.000 0.988 42 G CA 0.386 45.486 45.100 -0.001 0.000 0.625 42 G HN 0.426 nan 8.290 nan 0.000 0.527 43 I N -0.348 120.227 120.570 0.009 0.000 2.828 43 I HA 0.576 4.727 4.170 -0.031 0.000 0.295 43 I C 0.534 176.685 176.117 0.057 0.000 1.459 43 I CA -0.389 60.909 61.300 -0.003 0.000 1.015 43 I CB 1.440 39.441 38.000 0.001 0.000 1.345 43 I HN 0.364 nan 8.210 nan 0.000 0.449 44 G N 3.171 111.999 108.800 0.046 0.000 2.544 44 G HA2 0.447 4.388 3.960 -0.031 0.000 0.242 44 G HA3 0.447 4.388 3.960 -0.031 0.000 0.242 44 G C -1.121 173.881 174.900 0.170 0.000 1.247 44 G CA 0.244 45.426 45.100 0.137 0.000 0.840 44 G HN 0.795 nan 8.290 nan 0.000 0.578 45 D N -1.276 119.301 120.400 0.296 0.000 2.664 45 D HA 0.208 4.830 4.640 -0.031 0.000 0.292 45 D C 0.303 176.783 176.300 0.300 0.000 1.214 45 D CA -0.899 53.246 54.000 0.241 0.000 0.932 45 D CB 0.511 41.418 40.800 0.179 0.000 1.420 45 D HN 0.201 nan 8.370 nan 0.000 0.471 46 L N 0.401 121.738 121.223 0.190 0.000 2.779 46 L HA 0.470 4.791 4.340 -0.031 0.000 0.239 46 L C 0.972 177.852 176.870 0.016 0.000 1.245 46 L CA -0.170 54.744 54.840 0.123 0.000 1.064 46 L CB -0.670 41.440 42.059 0.085 0.000 1.350 46 L HN 0.517 nan 8.230 nan 0.000 0.455 47 G N -0.144 108.693 108.800 0.061 0.000 2.940 47 G HA2 0.255 4.196 3.960 -0.031 0.000 0.164 47 G HA3 0.255 4.196 3.960 -0.031 0.000 0.164 47 G C -1.890 173.095 174.900 0.142 0.000 1.326 47 G CA -0.470 44.709 45.100 0.132 0.000 1.020 47 G HN -0.058 nan 8.290 nan 0.000 0.586 48 P HA -0.142 nan 4.420 nan 0.000 0.217 48 P C 1.865 179.183 177.300 0.030 0.000 1.151 48 P CA 1.298 64.495 63.100 0.162 0.000 0.849 48 P CB 0.177 31.923 31.700 0.077 0.000 0.787 49 Q N -1.101 118.645 119.800 -0.090 0.000 2.167 49 Q HA -0.065 4.257 4.340 -0.031 0.000 0.202 49 Q C 2.198 177.764 176.000 -0.722 0.000 0.970 49 Q CA 1.561 57.215 55.803 -0.249 0.000 0.855 49 Q CB -0.978 27.648 28.738 -0.187 0.000 0.911 49 Q HN 0.219 nan 8.270 nan 0.000 0.438 50 A N 0.301 122.630 122.820 -0.818 0.000 1.902 50 A HA -0.153 4.149 4.320 -0.031 0.000 0.217 50 A C 1.812 178.897 177.584 -0.832 0.000 1.181 50 A CA 1.217 52.677 52.037 -0.962 0.000 0.623 50 A CB -0.726 17.886 19.000 -0.647 0.000 0.818 50 A HN 0.277 nan 8.150 nan 0.000 0.443 51 F N 0.174 119.868 119.950 -0.426 0.000 2.206 51 F HA -0.025 4.483 4.527 -0.032 0.000 0.298 51 F C 2.238 177.824 175.800 -0.358 0.000 1.090 51 F CA 1.488 59.163 58.000 -0.543 0.000 1.323 51 F CB -0.370 38.183 39.000 -0.745 0.000 1.028 51 F HN 0.087 nan 8.300 nan 0.000 0.492 52 K N -0.298 120.019 120.400 -0.139 0.000 2.057 52 K HA -0.195 4.107 4.320 -0.031 0.000 0.207 52 K C 1.999 178.383 176.600 -0.360 0.000 1.049 52 K CA 1.636 57.869 56.287 -0.090 0.000 0.931 52 K CB -0.606 31.954 32.500 0.099 0.000 0.714 52 K HN 0.170 nan 8.250 nan 0.000 0.440 53 F N 1.990 121.348 119.950 -0.987 0.000 2.095 53 F HA -0.172 4.336 4.527 -0.031 0.000 0.298 53 F C 1.679 177.147 175.800 -0.554 0.000 1.104 53 F CA 1.393 58.584 58.000 -1.349 0.000 1.232 53 F CB -0.361 37.836 39.000 -1.338 0.000 0.987 53 F HN -0.117 nan 8.300 nan 0.000 0.475 54 L N -0.095 120.753 121.223 -0.624 0.000 2.083 54 L HA -0.210 4.111 4.340 -0.031 0.000 0.209 54 L C 2.190 178.949 176.870 -0.186 0.000 1.083 54 L CA 1.343 55.922 54.840 -0.434 0.000 0.752 54 L CB -0.878 41.135 42.059 -0.076 0.000 0.899 54 L HN 0.071 nan 8.230 nan 0.000 0.433 55 D N -0.762 119.615 120.400 -0.038 0.000 2.117 55 D HA -0.241 4.380 4.640 -0.031 0.000 0.197 55 D C 1.726 178.029 176.300 0.006 0.000 0.987 55 D CA 1.153 55.173 54.000 0.034 0.000 0.829 55 D CB -0.248 40.606 40.800 0.091 0.000 0.961 55 D HN 0.422 nan 8.370 nan 0.000 0.460 56 W N 1.442 122.608 121.300 -0.222 0.000 2.381 56 W HA -0.066 4.576 4.660 -0.031 0.000 0.301 56 W C 2.060 178.455 176.519 -0.206 0.000 1.205 56 W CA 0.924 58.175 57.345 -0.158 0.000 1.285 56 W CB -0.393 29.002 29.460 -0.108 0.000 1.133 56 W HN -0.100 nan 8.180 nan 0.000 0.521 57 L N -0.389 120.636 121.223 -0.330 0.000 2.042 57 L HA -0.313 4.008 4.340 -0.031 0.000 0.210 57 L C 2.919 179.566 176.870 -0.372 0.000 1.076 57 L CA 1.950 56.512 54.840 -0.464 0.000 0.749 57 L CB -1.182 40.571 42.059 -0.510 0.000 0.893 57 L HN 0.203 nan 8.230 nan 0.000 0.432 58 H N -0.105 118.770 119.070 -0.325 0.000 2.353 58 H HA -0.209 4.329 4.556 -0.031 0.000 0.300 58 H C 2.217 177.391 175.328 -0.256 0.000 1.090 58 H CA 1.851 57.755 56.048 -0.239 0.000 1.327 58 H CB 0.121 29.774 29.762 -0.181 0.000 1.383 58 H HN 0.221 nan 8.280 nan 0.000 0.508 59 L N 1.322 122.395 121.223 -0.251 0.000 2.079 59 L HA -0.082 4.240 4.340 -0.031 0.000 0.210 59 L C 2.520 179.134 176.870 -0.426 0.000 1.081 59 L CA 1.960 56.621 54.840 -0.298 0.000 0.752 59 L CB -0.905 41.013 42.059 -0.234 0.000 0.896 59 L HN 0.305 nan 8.230 nan 0.000 0.433 60 A N -1.256 121.184 122.820 -0.632 0.000 2.167 60 A HA 0.323 4.625 4.320 -0.031 0.000 0.214 60 A C 1.827 179.190 177.584 -0.369 0.000 1.151 60 A CA 0.795 52.475 52.037 -0.596 0.000 0.735 60 A CB -0.870 17.543 19.000 -0.978 0.000 0.802 60 A HN 0.879 nan 8.150 nan 0.000 0.467 61 G N -2.097 106.488 108.800 -0.358 0.000 2.159 61 G HA2 -0.271 3.670 3.960 -0.031 0.000 0.256 61 G HA3 -0.271 3.670 3.960 -0.031 0.000 0.256 61 G C 0.245 175.031 174.900 -0.190 0.000 0.977 61 G CA 0.093 45.032 45.100 -0.269 0.000 0.652 61 G HN 0.614 nan 8.290 nan 0.000 0.531 62 C N 1.509 120.694 119.300 -0.192 0.000 2.601 62 C HA 0.582 5.024 4.460 -0.031 0.000 0.409 62 C C 1.823 176.780 174.990 -0.055 0.000 1.293 62 C CA 0.541 59.504 59.018 -0.092 0.000 2.101 62 C CB 1.103 28.807 27.740 -0.060 0.000 2.639 62 C HN 0.908 nan 8.230 nan 0.000 0.592 63 S N 1.500 117.199 115.700 -0.001 0.000 2.650 63 S HA 0.402 4.853 4.470 -0.031 0.000 0.240 63 S C -0.358 174.293 174.600 0.085 0.000 1.007 63 S CA -0.191 58.026 58.200 0.028 0.000 0.984 63 S CB -0.117 63.091 63.200 0.014 0.000 0.910 63 S HN 0.706 nan 8.310 nan 0.000 0.509 64 L N 1.034 122.333 121.223 0.126 0.000 2.445 64 L HA 0.730 5.052 4.340 -0.031 0.000 0.262 64 L C -2.250 174.832 176.870 0.355 0.000 0.974 64 L CA -0.705 54.259 54.840 0.206 0.000 0.822 64 L CB 2.074 44.222 42.059 0.149 0.000 1.339 64 L HN 0.424 nan 8.230 nan 0.000 0.409 65 W N 4.823 126.242 121.300 0.199 0.000 2.619 65 W HA 0.495 5.137 4.660 -0.030 0.000 0.327 65 W C -1.278 175.415 176.519 0.289 0.000 1.027 65 W CA -0.735 56.794 57.345 0.306 0.000 1.233 65 W CB 1.433 31.121 29.460 0.381 0.000 1.370 65 W HN 0.542 nan 8.180 nan 0.000 0.453 66 Q N 4.974 124.989 119.800 0.358 0.000 2.271 66 Q HA 0.616 4.937 4.340 -0.031 0.000 0.258 66 Q C -0.680 175.278 176.000 -0.070 0.000 0.936 66 Q CA -0.549 55.309 55.803 0.091 0.000 0.909 66 Q CB 1.762 30.633 28.738 0.221 0.000 1.253 66 Q HN 0.482 nan 8.270 nan 0.000 0.440 67 V N 1.300 121.071 119.914 -0.237 0.000 3.103 67 V HA 0.619 4.721 4.120 -0.031 0.000 0.318 67 V C -0.243 175.801 176.094 -0.083 0.000 1.114 67 V CA -1.075 61.140 62.300 -0.140 0.000 1.020 67 V CB 1.272 32.906 31.823 -0.315 0.000 1.085 67 V HN 0.785 nan 8.190 nan 0.000 0.446 68 L N 0.480 121.708 121.223 0.008 0.000 2.488 68 L HA 0.517 4.839 4.340 -0.031 0.000 0.249 68 L C -2.194 174.473 176.870 -0.337 0.000 1.151 68 L CA -1.909 52.720 54.840 -0.352 0.000 0.806 68 L CB 0.273 41.857 42.059 -0.792 0.000 1.261 68 L HN 0.407 nan 8.230 nan 0.000 0.484 69 P HA -0.010 nan 4.420 nan 0.000 0.265 69 P C 0.146 177.299 177.300 -0.244 0.000 1.187 69 P CA 0.370 63.231 63.100 -0.399 0.000 0.766 69 P CB 0.364 31.723 31.700 -0.567 0.000 0.820 70 L N 1.975 123.102 121.223 -0.161 0.000 2.611 70 L HA 0.072 4.394 4.340 -0.031 0.000 0.229 70 L C 0.921 177.609 176.870 -0.304 0.000 1.137 70 L CA -0.255 54.474 54.840 -0.184 0.000 0.901 70 L CB -0.316 41.596 42.059 -0.246 0.000 1.098 70 L HN 0.246 nan 8.230 nan 0.000 0.456 71 V N -2.402 117.323 119.914 -0.315 0.000 3.237 71 V HA 0.266 4.368 4.120 -0.031 0.000 0.305 71 V C -2.295 173.638 176.094 -0.269 0.000 1.096 71 V CA -1.831 60.272 62.300 -0.328 0.000 1.130 71 V CB -0.255 31.394 31.823 -0.289 0.000 1.048 71 V HN -0.006 nan 8.190 nan 0.000 0.484 72 P HA 0.338 nan 4.420 nan 0.000 0.271 72 P C -2.696 174.523 177.300 -0.134 0.000 1.233 72 P CA -1.175 61.838 63.100 -0.145 0.000 0.764 72 P CB -0.078 31.574 31.700 -0.082 0.000 0.825 73 P HA 0.092 nan 4.420 nan 0.000 0.271 73 P C 0.580 177.821 177.300 -0.099 0.000 1.216 73 P CA 0.154 63.143 63.100 -0.186 0.000 0.776 73 P CB 0.522 32.066 31.700 -0.261 0.000 0.881 74 G N 2.270 111.019 108.800 -0.085 0.000 2.432 74 G HA2 0.079 4.020 3.960 -0.031 0.000 0.239 74 G HA3 0.079 4.020 3.960 -0.031 0.000 0.239 74 G C 0.434 175.324 174.900 -0.016 0.000 1.291 74 G CA -0.449 44.642 45.100 -0.015 0.000 0.863 74 G HN 0.564 nan 8.290 nan 0.000 0.560 75 K N 1.658 122.080 120.400 0.036 0.000 2.387 75 K HA 0.225 4.527 4.320 -0.031 0.000 0.203 75 K C 0.428 177.066 176.600 0.063 0.000 1.030 75 K CA -0.545 55.771 56.287 0.048 0.000 1.099 75 K CB 0.879 33.424 32.500 0.075 0.000 0.863 75 K HN 0.148 nan 8.250 nan 0.000 0.529 76 R N 1.781 122.318 120.500 0.062 0.000 3.863 76 R HA 0.300 4.622 4.340 -0.031 0.000 0.304 76 R C 0.051 176.379 176.300 0.046 0.000 1.485 76 R CA 0.029 56.167 56.100 0.064 0.000 1.355 76 R CB 0.617 30.965 30.300 0.080 0.000 1.457 76 R HN 0.516 nan 8.270 nan 0.000 0.669 77 G N 0.683 109.510 108.800 0.046 0.000 2.593 77 G HA2 -0.130 3.812 3.960 -0.031 0.000 0.103 77 G HA3 -0.130 3.812 3.960 -0.031 0.000 0.103 77 G C -0.917 174.009 174.900 0.044 0.000 1.103 77 G CA -0.597 44.526 45.100 0.038 0.000 1.109 77 G HN 0.301 nan 8.290 nan 0.000 0.516 78 N N 1.252 119.947 118.700 -0.008 0.000 2.401 78 N HA 0.174 4.895 4.740 -0.031 0.000 0.264 78 N C 0.633 176.069 175.510 -0.122 0.000 1.238 78 N CA 0.357 53.357 53.050 -0.083 0.000 0.889 78 N CB 0.888 39.207 38.487 -0.280 0.000 1.196 78 N HN 0.645 nan 8.380 nan 0.000 0.511 79 E N -0.514 119.660 120.200 -0.044 0.000 2.368 79 E HA 0.003 4.335 4.350 -0.031 0.000 0.188 79 E C -0.853 175.731 176.600 -0.027 0.000 1.061 79 E CA -0.337 56.048 56.400 -0.024 0.000 0.933 79 E CB -0.392 29.289 29.700 -0.032 0.000 1.091 79 E HN 0.037 nan 8.360 nan 0.000 0.458 80 D N 2.007 122.405 120.400 -0.003 0.000 3.167 80 D HA 0.001 4.623 4.640 -0.031 0.000 0.232 80 D C 1.293 177.424 176.300 -0.282 0.000 1.231 80 D CA 1.880 55.860 54.000 -0.034 0.000 0.845 80 D CB -0.090 40.789 40.800 0.132 0.000 1.157 80 D HN 0.502 nan 8.370 nan 0.000 0.576 81 G N 2.380 110.829 108.800 -0.585 0.000 2.184 81 G HA2 -0.319 3.622 3.960 -0.031 0.000 0.264 81 G HA3 -0.319 3.622 3.960 -0.031 0.000 0.264 81 G C 0.596 175.021 174.900 -0.793 0.000 0.975 81 G CA 0.480 44.899 45.100 -1.135 0.000 0.642 81 G HN 0.708 nan 8.290 nan 0.000 0.536 82 S N 1.015 116.315 115.700 -0.667 0.000 2.509 82 S HA 0.423 4.875 4.470 -0.031 0.000 0.287 82 S C -0.170 173.901 174.600 -0.881 0.000 1.248 82 S CA -0.303 57.237 58.200 -1.099 0.000 1.089 82 S CB 0.973 63.881 63.200 -0.487 0.000 0.900 82 S HN 0.131 nan 8.310 nan 0.000 0.496 83 P HA -0.035 nan 4.420 nan 0.000 0.225 83 P C -0.092 176.665 177.300 -0.906 0.000 1.148 83 P CA 1.071 63.607 63.100 -0.940 0.000 0.779 83 P CB -0.007 30.979 31.700 -1.191 0.000 0.780 84 Y N -2.027 117.928 120.300 -0.575 0.000 2.457 84 Y HA 0.211 4.743 4.550 -0.030 0.000 0.263 84 Y C 1.047 176.802 175.900 -0.241 0.000 1.164 84 Y CA 0.291 58.187 58.100 -0.341 0.000 1.274 84 Y CB 0.019 38.315 38.460 -0.273 0.000 1.097 84 Y HN -0.190 nan 8.280 nan 0.000 0.523 85 S N 0.625 116.227 115.700 -0.163 0.000 2.383 85 S HA 0.327 4.778 4.470 -0.031 0.000 0.227 85 S C 0.728 175.257 174.600 -0.118 0.000 1.261 85 S CA -0.561 57.577 58.200 -0.103 0.000 1.262 85 S CB -0.202 62.953 63.200 -0.075 0.000 0.992 85 S HN 0.419 nan 8.310 nan 0.000 0.491 86 G N 0.729 109.444 108.800 -0.142 0.000 2.594 86 G HA2 0.175 4.116 3.960 -0.031 0.000 0.243 86 G HA3 0.175 4.116 3.960 -0.031 0.000 0.243 86 G C 0.465 175.320 174.900 -0.074 0.000 1.229 86 G CA -0.329 44.686 45.100 -0.141 0.000 0.843 86 G HN 0.523 nan 8.290 nan 0.000 0.578 87 Q N -0.640 119.130 119.800 -0.050 0.000 2.432 87 Q HA 0.121 4.443 4.340 -0.031 0.000 0.205 87 Q C -0.022 175.951 176.000 -0.044 0.000 0.945 87 Q CA 0.734 56.541 55.803 0.006 0.000 0.924 87 Q CB 0.414 29.201 28.738 0.082 0.000 1.016 87 Q HN 0.662 nan 8.270 nan 0.000 0.503 88 D N -2.473 117.880 120.400 -0.078 0.000 2.706 88 D HA 0.353 4.975 4.640 -0.031 0.000 0.225 88 D C -0.733 175.475 176.300 -0.152 0.000 1.241 88 D CA -0.161 53.779 54.000 -0.100 0.000 0.784 88 D CB 1.058 41.847 40.800 -0.020 0.000 1.521 88 D HN -0.097 nan 8.370 nan 0.000 0.461 89 A N 2.298 125.016 122.820 -0.170 0.000 2.072 89 A HA 0.082 4.383 4.320 -0.031 0.000 0.216 89 A C 1.222 178.569 177.584 -0.396 0.000 1.156 89 A CA 0.978 52.874 52.037 -0.235 0.000 0.701 89 A CB -0.273 18.611 19.000 -0.194 0.000 0.816 89 A HN 0.620 nan 8.150 nan 0.000 0.458 90 N N -1.818 116.585 118.700 -0.496 0.000 2.460 90 N HA 0.120 4.841 4.740 -0.031 0.000 0.193 90 N C 0.121 175.041 175.510 -0.984 0.000 1.080 90 N CA 0.061 52.554 53.050 -0.930 0.000 0.869 90 N CB 0.158 37.791 38.487 -1.424 0.000 1.201 90 N HN 0.287 nan 8.380 nan 0.000 0.457 91 C N 1.339 120.319 119.300 -0.533 0.000 2.727 91 C HA 0.456 4.897 4.460 -0.031 0.000 0.401 91 C C 1.380 176.039 174.990 -0.552 0.000 1.294 91 C CA -0.707 58.121 59.018 -0.315 0.000 2.134 91 C CB -0.209 27.518 27.740 -0.021 0.000 2.724 91 C HN 0.380 nan 8.230 nan 0.000 0.677 92 G N 1.261 109.571 108.800 -0.818 0.000 2.389 92 G HA2 0.328 4.270 3.960 -0.031 0.000 0.317 92 G HA3 0.328 4.270 3.960 -0.031 0.000 0.317 92 G C -0.321 173.986 174.900 -0.988 0.000 1.137 92 G CA -0.236 43.871 45.100 -1.654 0.000 0.870 92 G HN 0.784 nan 8.290 nan 0.000 0.496 93 N N 0.634 118.929 118.700 -0.675 0.000 2.427 93 N HA -0.009 4.713 4.740 -0.031 0.000 0.269 93 N C 1.885 177.332 175.510 -0.104 0.000 1.235 93 N CA 0.419 53.312 53.050 -0.263 0.000 0.934 93 N CB 0.920 39.336 38.487 -0.119 0.000 1.121 93 N HN 0.480 nan 8.380 nan 0.000 0.480 94 T N 1.415 115.914 114.554 -0.091 0.000 2.929 94 T HA -0.104 4.227 4.350 -0.031 0.000 0.271 94 T C 1.873 176.606 174.700 0.055 0.000 1.085 94 T CA 0.738 62.840 62.100 0.003 0.000 1.125 94 T CB -0.246 68.584 68.868 -0.063 0.000 0.874 94 T HN 0.480 nan 8.240 nan 0.000 0.494 95 L N 0.002 121.256 121.223 0.053 0.000 2.353 95 L HA 0.130 4.452 4.340 -0.031 0.000 0.220 95 L C 2.343 179.274 176.870 0.101 0.000 1.133 95 L CA 0.755 55.641 54.840 0.077 0.000 0.798 95 L CB -0.510 41.608 42.059 0.098 0.000 0.922 95 L HN 0.309 nan 8.230 nan 0.000 0.445 96 L N -0.389 120.915 121.223 0.135 0.000 2.552 96 L HA 0.034 4.356 4.340 -0.031 0.000 0.227 96 L C 0.898 177.859 176.870 0.152 0.000 1.146 96 L CA 0.015 54.951 54.840 0.161 0.000 0.858 96 L CB -0.048 42.143 42.059 0.221 0.000 0.969 96 L HN 0.156 nan 8.230 nan 0.000 0.451 97 I N 0.095 120.746 120.570 0.135 0.000 2.598 97 I HA -0.083 4.068 4.170 -0.031 0.000 0.284 97 I C 0.996 177.144 176.117 0.053 0.000 1.140 97 I CA 0.265 61.613 61.300 0.081 0.000 1.420 97 I CB 0.935 38.973 38.000 0.062 0.000 1.387 97 I HN -0.010 nan 8.210 nan 0.000 0.553 98 S N 6.422 122.151 115.700 0.047 0.000 2.481 98 S HA 0.238 4.689 4.470 -0.031 0.000 0.276 98 S C 1.198 175.792 174.600 -0.009 0.000 1.247 98 S CA -0.660 57.570 58.200 0.050 0.000 1.053 98 S CB 0.461 63.708 63.200 0.078 0.000 0.925 98 S HN 0.550 nan 8.310 nan 0.000 0.491 99 L N 4.397 125.571 121.223 -0.082 0.000 2.083 99 L HA -0.111 4.210 4.340 -0.031 0.000 0.209 99 L C 2.474 179.279 176.870 -0.108 0.000 1.083 99 L CA 1.476 56.206 54.840 -0.183 0.000 0.752 99 L CB -0.505 41.265 42.059 -0.482 0.000 0.899 99 L HN 0.684 nan 8.230 nan 0.000 0.433 100 E N -0.177 120.007 120.200 -0.026 0.000 2.077 100 E HA -0.196 4.136 4.350 -0.031 0.000 0.193 100 E C 2.141 178.751 176.600 0.017 0.000 0.989 100 E CA 0.933 57.353 56.400 0.032 0.000 0.800 100 E CB -0.003 29.763 29.700 0.110 0.000 0.746 100 E HN 0.407 nan 8.360 nan 0.000 0.452 101 E N 0.726 120.940 120.200 0.025 0.000 2.110 101 E HA -0.154 4.178 4.350 -0.031 0.000 0.193 101 E C 2.248 178.845 176.600 -0.006 0.000 0.988 101 E CA 0.704 57.112 56.400 0.014 0.000 0.804 101 E CB -0.129 29.591 29.700 0.033 0.000 0.745 101 E HN 0.350 nan 8.360 nan 0.000 0.458 102 L N 0.485 121.699 121.223 -0.014 0.000 2.093 102 L HA -0.146 4.176 4.340 -0.031 0.000 0.208 102 L C 2.524 179.384 176.870 -0.017 0.000 1.085 102 L CA 0.602 55.431 54.840 -0.018 0.000 0.755 102 L CB -0.448 41.593 42.059 -0.030 0.000 0.904 102 L HN -0.017 nan 8.230 nan 0.000 0.435 103 V N -0.302 119.599 119.914 -0.021 0.000 2.295 103 V HA -0.291 3.810 4.120 -0.031 0.000 0.246 103 V C 2.120 178.209 176.094 -0.009 0.000 1.049 103 V CA 1.890 64.181 62.300 -0.015 0.000 1.024 103 V CB -0.543 31.273 31.823 -0.012 0.000 0.648 103 V HN 0.422 nan 8.190 nan 0.000 0.447 104 D N 0.234 120.629 120.400 -0.009 0.000 2.158 104 D HA -0.179 4.443 4.640 -0.031 0.000 0.197 104 D C 1.808 178.102 176.300 -0.010 0.000 0.995 104 D CA 1.480 55.472 54.000 -0.013 0.000 0.846 104 D CB -0.359 40.428 40.800 -0.022 0.000 0.941 104 D HN 0.432 nan 8.370 nan 0.000 0.456 105 D N -0.760 119.636 120.400 -0.006 0.000 2.348 105 D HA 0.037 4.658 4.640 -0.031 0.000 0.216 105 D C 1.617 177.921 176.300 0.007 0.000 0.970 105 D CA 1.092 55.094 54.000 0.004 0.000 0.889 105 D CB 0.149 40.956 40.800 0.012 0.000 0.912 105 D HN 0.328 nan 8.370 nan 0.000 0.524 106 G N 0.447 109.248 108.800 0.001 0.000 2.159 106 G HA2 -0.296 3.645 3.960 -0.031 0.000 0.256 106 G HA3 -0.296 3.645 3.960 -0.031 0.000 0.256 106 G C 1.016 175.917 174.900 0.002 0.000 0.977 106 G CA 0.436 45.537 45.100 0.001 0.000 0.652 106 G HN 0.403 nan 8.290 nan 0.000 0.531 107 L N -0.928 120.296 121.223 0.003 0.000 2.375 107 L HA 0.445 4.767 4.340 -0.031 0.000 0.215 107 L C 1.272 178.138 176.870 -0.007 0.000 1.108 107 L CA 0.528 55.370 54.840 0.004 0.000 0.830 107 L CB 0.052 42.119 42.059 0.013 0.000 0.959 107 L HN 0.208 nan 8.230 nan 0.000 0.457 108 L N -0.361 120.854 121.223 -0.014 0.000 2.370 108 L HA 0.411 4.732 4.340 -0.031 0.000 0.266 108 L C -0.477 176.383 176.870 -0.018 0.000 1.002 108 L CA -0.709 54.117 54.840 -0.023 0.000 0.818 108 L CB 2.419 44.453 42.059 -0.042 0.000 1.325 108 L HN -0.094 nan 8.230 nan 0.000 0.418 109 K N 1.268 121.658 120.400 -0.017 0.000 2.143 109 K HA 0.238 4.540 4.320 -0.031 0.000 0.272 109 K C 0.607 177.200 176.600 -0.011 0.000 1.001 109 K CA -0.730 55.551 56.287 -0.010 0.000 0.915 109 K CB 1.685 34.181 32.500 -0.007 0.000 1.047 109 K HN 0.433 nan 8.250 nan 0.000 0.458 110 M N 2.152 121.750 119.600 -0.003 0.000 2.144 110 M HA -0.188 4.274 4.480 -0.031 0.000 0.260 110 M C 0.998 177.304 176.300 0.009 0.000 1.067 110 M CA 1.962 57.265 55.300 0.006 0.000 1.095 110 M CB -0.289 32.320 32.600 0.015 0.000 1.365 110 M HN 0.596 nan 8.290 nan 0.000 0.406 111 E N -0.093 120.111 120.200 0.007 0.000 2.333 111 E HA -0.156 4.175 4.350 -0.031 0.000 0.198 111 E C 1.782 178.385 176.600 0.005 0.000 1.007 111 E CA 1.247 57.652 56.400 0.009 0.000 0.845 111 E CB -0.276 29.427 29.700 0.006 0.000 0.766 111 E HN 0.660 nan 8.360 nan 0.000 0.507 112 E N -0.169 120.027 120.200 -0.005 0.000 2.299 112 E HA 0.027 4.358 4.350 -0.031 0.000 0.193 112 E C 0.117 176.703 176.600 -0.024 0.000 0.998 112 E CA -0.064 56.327 56.400 -0.014 0.000 0.851 112 E CB 0.199 29.886 29.700 -0.022 0.000 0.795 112 E HN 0.201 nan 8.360 nan 0.000 0.492 113 L N 3.195 124.401 121.223 -0.029 0.000 2.461 113 L HA 0.147 4.469 4.340 -0.031 0.000 0.272 113 L C -1.830 175.058 176.870 0.029 0.000 1.197 113 L CA -1.543 53.265 54.840 -0.053 0.000 0.836 113 L CB -0.400 41.619 42.059 -0.068 0.000 1.105 113 L HN -0.059 nan 8.230 nan 0.000 0.477 114 P HA 0.135 nan 4.420 nan 0.000 0.276 114 P C -0.613 176.778 177.300 0.152 0.000 1.252 114 P CA -0.611 62.548 63.100 0.099 0.000 0.802 114 P CB 0.610 32.373 31.700 0.105 0.000 1.035 115 E N 1.085 121.340 120.200 0.092 0.000 2.415 115 E HA 0.128 4.459 4.350 -0.031 0.000 0.262 115 E C -1.916 174.723 176.600 0.064 0.000 1.038 115 E CA -1.511 54.930 56.400 0.069 0.000 0.921 115 E CB -1.058 28.665 29.700 0.037 0.000 0.950 115 E HN 0.328 nan 8.360 nan 0.000 0.438 116 P HA -0.079 nan 4.420 nan 0.000 0.261 116 P C -0.428 176.858 177.300 -0.025 0.000 1.165 116 P CA 0.691 63.761 63.100 -0.051 0.000 0.759 116 P CB 0.305 31.959 31.700 -0.078 0.000 0.772 117 L N 5.873 127.078 121.223 -0.030 0.000 2.352 117 L HA 0.454 4.775 4.340 -0.031 0.000 0.269 117 L C -1.853 174.994 176.870 -0.037 0.000 1.034 117 L CA -2.511 52.322 54.840 -0.012 0.000 0.806 117 L CB 0.509 42.578 42.059 0.016 0.000 1.244 117 L HN 0.209 nan 8.230 nan 0.000 0.447 118 P HA -0.048 nan 4.420 nan 0.000 0.261 118 P C 0.382 177.651 177.300 -0.052 0.000 1.173 118 P CA 0.292 63.371 63.100 -0.035 0.000 0.760 118 P CB 0.467 32.153 31.700 -0.022 0.000 0.783 119 T N -2.720 111.797 114.554 -0.063 0.000 3.022 119 T HA 0.027 4.359 4.350 -0.031 0.000 0.250 119 T C 1.060 175.702 174.700 -0.096 0.000 1.060 119 T CA 0.123 62.171 62.100 -0.086 0.000 1.013 119 T CB -0.174 68.636 68.868 -0.096 0.000 0.982 119 T HN 0.100 nan 8.240 nan 0.000 0.508 120 D N 1.723 122.081 120.400 -0.070 0.000 2.144 120 D HA 0.097 4.718 4.640 -0.031 0.000 0.200 120 D C 0.999 177.253 176.300 -0.078 0.000 0.978 120 D CA 1.054 55.017 54.000 -0.062 0.000 0.833 120 D CB 0.237 41.026 40.800 -0.019 0.000 0.961 120 D HN 0.440 nan 8.370 nan 0.000 0.470 121 R N -0.539 119.920 120.500 -0.067 0.000 2.643 121 R HA 0.338 4.660 4.340 -0.031 0.000 0.269 121 R C -1.561 174.684 176.300 -0.092 0.000 1.037 121 R CA -0.567 55.502 56.100 -0.053 0.000 0.894 121 R CB 1.751 32.058 30.300 0.012 0.000 1.238 121 R HN -0.272 nan 8.270 nan 0.000 0.459 122 V N 3.700 123.532 119.914 -0.136 0.000 2.521 122 V HA 0.077 4.179 4.120 -0.031 0.000 0.286 122 V C 0.167 176.082 176.094 -0.299 0.000 1.034 122 V CA -0.165 61.954 62.300 -0.302 0.000 1.045 122 V CB 0.788 32.271 31.823 -0.566 0.000 0.974 122 V HN 0.584 nan 8.190 nan 0.000 0.480 123 N N 3.879 122.443 118.700 -0.227 0.000 2.589 123 N HA 0.225 4.946 4.740 -0.031 0.000 0.232 123 N C 0.351 175.801 175.510 -0.100 0.000 1.015 123 N CA -0.232 52.759 53.050 -0.099 0.000 0.931 123 N CB 0.398 38.871 38.487 -0.024 0.000 1.150 123 N HN 0.586 nan 8.380 nan 0.000 0.512 124 Y N 0.847 121.208 120.300 0.101 0.000 2.509 124 Y HA -0.154 4.377 4.550 -0.031 0.000 0.293 124 Y C 2.412 178.366 175.900 0.090 0.000 1.133 124 Y CA 0.967 59.127 58.100 0.100 0.000 1.283 124 Y CB 0.252 38.785 38.460 0.122 0.000 1.001 124 Y HN 0.597 nan 8.280 nan 0.000 0.555 125 S N -1.436 114.387 115.700 0.205 0.000 2.461 125 S HA -0.118 4.334 4.470 -0.031 0.000 0.228 125 S C 1.704 176.367 174.600 0.105 0.000 1.005 125 S CA 1.257 59.547 58.200 0.149 0.000 0.942 125 S CB -0.617 62.660 63.200 0.128 0.000 0.776 125 S HN 0.497 nan 8.310 nan 0.000 0.514 126 T N -2.017 112.586 114.554 0.081 0.000 2.955 126 T HA 0.329 4.661 4.350 -0.031 0.000 0.251 126 T C 1.418 176.149 174.700 0.052 0.000 1.002 126 T CA 0.114 62.249 62.100 0.058 0.000 0.970 126 T CB -0.470 68.422 68.868 0.040 0.000 1.091 126 T HN 0.196 nan 8.240 nan 0.000 0.495 127 I N 2.800 123.399 120.570 0.047 0.000 2.226 127 I HA -0.057 4.094 4.170 -0.031 0.000 0.245 127 I C 2.317 178.470 176.117 0.060 0.000 1.100 127 I CA 1.069 62.392 61.300 0.038 0.000 1.374 127 I CB -0.473 37.525 38.000 -0.003 0.000 1.057 127 I HN 0.210 nan 8.210 nan 0.000 0.413 128 S N 0.204 115.954 115.700 0.084 0.000 2.368 128 S HA -0.184 4.268 4.470 -0.031 0.000 0.225 128 S C 1.807 176.442 174.600 0.058 0.000 1.030 128 S CA 1.372 59.618 58.200 0.077 0.000 0.999 128 S CB -0.337 62.920 63.200 0.094 0.000 0.844 128 S HN 0.477 nan 8.310 nan 0.000 0.459 129 E N 1.048 121.282 120.200 0.057 0.000 2.153 129 E HA -0.027 4.305 4.350 -0.031 0.000 0.194 129 E C 1.772 178.394 176.600 0.035 0.000 0.988 129 E CA 0.764 57.192 56.400 0.046 0.000 0.811 129 E CB -0.241 29.488 29.700 0.047 0.000 0.746 129 E HN 0.537 nan 8.360 nan 0.000 0.466 130 I N 0.078 120.669 120.570 0.036 0.000 2.296 130 I HA -0.160 3.992 4.170 -0.031 0.000 0.242 130 I C 2.032 178.158 176.117 0.016 0.000 1.087 130 I CA 0.900 62.217 61.300 0.028 0.000 1.393 130 I CB -0.053 37.969 38.000 0.037 0.000 1.093 130 I HN -0.054 nan 8.210 nan 0.000 0.421 131 K N 0.478 120.889 120.400 0.019 0.000 2.137 131 K HA -0.093 4.209 4.320 -0.031 0.000 0.202 131 K C 1.650 178.249 176.600 -0.002 0.000 1.052 131 K CA 1.040 57.328 56.287 0.002 0.000 0.961 131 K CB -0.115 32.394 32.500 0.015 0.000 0.741 131 K HN 0.168 nan 8.250 nan 0.000 0.452 132 D N 0.744 121.151 120.400 0.012 0.000 2.133 132 D HA -0.142 4.480 4.640 -0.031 0.000 0.192 132 D C -0.964 175.332 176.300 -0.007 0.000 1.001 132 D CA 1.375 55.378 54.000 0.005 0.000 0.844 132 D CB -1.475 39.338 40.800 0.021 0.000 0.944 132 D HN 0.146 nan 8.370 nan 0.000 0.447 133 P HA -0.058 nan 4.420 nan 0.000 0.218 133 P C 1.726 179.015 177.300 -0.017 0.000 1.149 133 P CA 0.754 63.850 63.100 -0.007 0.000 0.817 133 P CB -0.006 31.694 31.700 0.001 0.000 0.785 134 L N -1.415 119.793 121.223 -0.025 0.000 2.056 134 L HA -0.125 4.197 4.340 -0.031 0.000 0.207 134 L C 2.212 179.060 176.870 -0.038 0.000 1.078 134 L CA 1.060 55.877 54.840 -0.039 0.000 0.749 134 L CB -0.822 41.200 42.059 -0.063 0.000 0.901 134 L HN -0.072 nan 8.230 nan 0.000 0.433 135 I N -0.194 120.355 120.570 -0.035 0.000 2.226 135 I HA -0.232 3.920 4.170 -0.031 0.000 0.245 135 I C 2.567 178.665 176.117 -0.033 0.000 1.100 135 I CA 1.590 62.871 61.300 -0.032 0.000 1.374 135 I CB -1.626 36.356 38.000 -0.030 0.000 1.057 135 I HN 0.242 nan 8.210 nan 0.000 0.413 136 T N 0.757 115.288 114.554 -0.037 0.000 2.720 136 T HA -0.230 4.101 4.350 -0.031 0.000 0.268 136 T C 2.007 176.691 174.700 -0.027 0.000 1.037 136 T CA 1.574 63.649 62.100 -0.042 0.000 1.144 136 T CB -0.132 68.710 68.868 -0.043 0.000 0.864 136 T HN 0.291 nan 8.240 nan 0.000 0.444 137 K N 0.857 121.243 120.400 -0.022 0.000 2.032 137 K HA -0.085 4.216 4.320 -0.031 0.000 0.209 137 K C 2.532 179.125 176.600 -0.012 0.000 1.048 137 K CA 1.319 57.596 56.287 -0.016 0.000 0.927 137 K CB -0.328 32.161 32.500 -0.017 0.000 0.712 137 K HN 0.288 nan 8.250 nan 0.000 0.441 138 A N 0.991 123.802 122.820 -0.014 0.000 1.902 138 A HA -0.127 4.175 4.320 -0.031 0.000 0.217 138 A C 2.320 179.909 177.584 0.009 0.000 1.181 138 A CA 1.950 53.984 52.037 -0.004 0.000 0.623 138 A CB -0.840 18.155 19.000 -0.009 0.000 0.818 138 A HN 0.487 nan 8.150 nan 0.000 0.443 139 A N -0.176 122.647 122.820 0.005 0.000 1.908 139 A HA -0.200 4.102 4.320 -0.031 0.000 0.218 139 A C 2.121 179.713 177.584 0.013 0.000 1.181 139 A CA 1.942 53.989 52.037 0.017 0.000 0.627 139 A CB -0.469 18.530 19.000 -0.002 0.000 0.818 139 A HN 0.559 nan 8.150 nan 0.000 0.445 140 K N -0.745 119.656 120.400 0.001 0.000 2.057 140 K HA -0.112 4.190 4.320 -0.031 0.000 0.207 140 K C 2.340 178.942 176.600 0.004 0.000 1.049 140 K CA 1.365 57.652 56.287 0.001 0.000 0.931 140 K CB -0.204 32.293 32.500 -0.005 0.000 0.714 140 K HN 0.374 nan 8.250 nan 0.000 0.440 141 R N 0.632 121.134 120.500 0.004 0.000 2.091 141 R HA -0.147 4.175 4.340 -0.031 0.000 0.238 141 R C 2.393 178.699 176.300 0.010 0.000 1.136 141 R CA 1.137 57.240 56.100 0.006 0.000 0.959 141 R CB -0.493 29.809 30.300 0.005 0.000 0.856 141 R HN 0.137 nan 8.270 nan 0.000 0.437 142 L N 1.256 122.490 121.223 0.019 0.000 2.046 142 L HA -0.141 4.181 4.340 -0.031 0.000 0.208 142 L C 2.016 178.886 176.870 0.001 0.000 1.077 142 L CA 1.603 56.455 54.840 0.021 0.000 0.747 142 L CB -0.426 41.664 42.059 0.051 0.000 0.896 142 L HN 0.113 nan 8.230 nan 0.000 0.432 143 L N -0.508 120.718 121.223 0.006 0.000 2.083 143 L HA -0.185 4.137 4.340 -0.031 0.000 0.209 143 L C 2.453 179.323 176.870 0.000 0.000 1.083 143 L CA 1.519 56.361 54.840 0.003 0.000 0.752 143 L CB -0.672 41.395 42.059 0.014 0.000 0.899 143 L HN 0.546 nan 8.230 nan 0.000 0.433 144 S N -1.636 114.065 115.700 0.001 0.000 2.593 144 S HA 0.030 4.481 4.470 -0.031 0.000 0.217 144 S C 0.965 175.564 174.600 -0.002 0.000 0.966 144 S CA -0.072 58.128 58.200 0.000 0.000 0.914 144 S CB -0.388 62.812 63.200 0.001 0.000 0.776 144 S HN 0.413 nan 8.310 nan 0.000 0.523 145 S N 0.934 116.633 115.700 -0.003 0.000 2.669 145 S HA 0.474 4.926 4.470 -0.031 0.000 0.270 145 S C 0.019 174.614 174.600 -0.008 0.000 1.225 145 S CA -0.723 57.476 58.200 -0.003 0.000 0.991 145 S CB 1.057 64.257 63.200 0.001 0.000 0.987 145 S HN 0.376 nan 8.310 nan 0.000 0.552 146 E N -0.350 119.847 120.200 -0.006 0.000 2.876 146 E HA 0.288 4.620 4.350 -0.031 0.000 0.208 146 E C 0.630 177.226 176.600 -0.006 0.000 0.981 146 E CA -0.264 56.132 56.400 -0.007 0.000 1.174 146 E CB 0.747 30.445 29.700 -0.004 0.000 1.047 146 E HN 0.763 nan 8.360 nan 0.000 0.477 147 G N 0.642 109.439 108.800 -0.005 0.000 2.940 147 G HA2 0.052 3.993 3.960 -0.031 0.000 0.164 147 G HA3 0.052 3.993 3.960 -0.031 0.000 0.164 147 G C 0.725 175.624 174.900 -0.001 0.000 1.326 147 G CA -0.203 44.897 45.100 -0.000 0.000 1.020 147 G HN 0.063 nan 8.290 nan 0.000 0.586 148 E N -0.537 119.668 120.200 0.009 0.000 2.085 148 E HA -0.074 4.257 4.350 -0.031 0.000 0.194 148 E C 2.444 179.057 176.600 0.022 0.000 0.994 148 E CA 1.177 57.587 56.400 0.018 0.000 0.801 148 E CB -0.356 29.361 29.700 0.028 0.000 0.743 148 E HN 0.372 nan 8.360 nan 0.000 0.453 149 L N -0.052 121.189 121.223 0.030 0.000 2.093 149 L HA -0.123 4.198 4.340 -0.031 0.000 0.208 149 L C 2.469 179.283 176.870 -0.092 0.000 1.085 149 L CA 1.243 56.111 54.840 0.047 0.000 0.755 149 L CB -0.494 41.628 42.059 0.105 0.000 0.904 149 L HN 0.124 nan 8.230 nan 0.000 0.435 150 K N 0.724 121.078 120.400 -0.076 0.000 2.032 150 K HA -0.205 4.096 4.320 -0.031 0.000 0.209 150 K C 1.634 178.154 176.600 -0.133 0.000 1.048 150 K CA 1.754 57.973 56.287 -0.113 0.000 0.927 150 K CB -0.299 32.168 32.500 -0.056 0.000 0.712 150 K HN 0.186 nan 8.250 nan 0.000 0.441 151 D N 0.271 120.625 120.400 -0.077 0.000 2.117 151 D HA -0.156 4.465 4.640 -0.031 0.000 0.197 151 D C 1.996 178.253 176.300 -0.072 0.000 0.987 151 D CA 1.169 55.137 54.000 -0.054 0.000 0.829 151 D CB -0.142 40.648 40.800 -0.017 0.000 0.961 151 D HN 0.408 nan 8.370 nan 0.000 0.460 152 Q N -0.214 119.537 119.800 -0.081 0.000 2.084 152 Q HA -0.126 4.196 4.340 -0.031 0.000 0.202 152 Q C 2.242 178.039 176.000 -0.338 0.000 0.978 152 Q CA 0.571 56.342 55.803 -0.052 0.000 0.844 152 Q CB -0.152 28.677 28.738 0.152 0.000 0.898 152 Q HN 0.191 nan 8.270 nan 0.000 0.426 153 L N 1.338 122.063 121.223 -0.831 0.000 2.012 153 L HA -0.209 4.112 4.340 -0.031 0.000 0.210 153 L C 2.005 178.730 176.870 -0.242 0.000 1.073 153 L CA 1.879 56.149 54.840 -0.951 0.000 0.748 153 L CB -0.423 41.171 42.059 -0.775 0.000 0.891 153 L HN 0.089 nan 8.230 nan 0.000 0.431 154 E N 0.073 120.178 120.200 -0.159 0.000 2.077 154 E HA -0.196 4.135 4.350 -0.031 0.000 0.193 154 E C 2.023 178.616 176.600 -0.011 0.000 0.989 154 E CA 1.295 57.661 56.400 -0.056 0.000 0.800 154 E CB -0.570 29.101 29.700 -0.048 0.000 0.746 154 E HN 0.601 nan 8.360 nan 0.000 0.452 155 N N 0.511 119.218 118.700 0.011 0.000 2.166 155 N HA -0.141 4.581 4.740 -0.031 0.000 0.186 155 N C 1.674 177.244 175.510 0.100 0.000 1.019 155 N CA 0.620 53.701 53.050 0.051 0.000 0.856 155 N CB -0.552 37.979 38.487 0.074 0.000 0.993 155 N HN 0.154 nan 8.380 nan 0.000 0.426 156 F N 2.156 122.109 119.950 0.004 0.000 2.075 156 F HA -0.075 4.440 4.527 -0.021 0.000 0.297 156 F C 2.543 178.340 175.800 -0.005 0.000 1.113 156 F CA 1.330 59.372 58.000 0.069 0.000 1.218 156 F CB -0.240 38.899 39.000 0.232 0.000 0.984 156 F HN -0.117 nan 8.300 nan 0.000 0.472 157 R N 0.316 120.786 120.500 -0.050 0.000 2.096 157 R HA -0.113 4.209 4.340 -0.031 0.000 0.235 157 R C 2.176 178.343 176.300 -0.221 0.000 1.127 157 R CA 1.524 57.512 56.100 -0.186 0.000 0.968 157 R CB -0.198 30.094 30.300 -0.014 0.000 0.861 157 R HN 0.297 nan 8.270 nan 0.000 0.440 158 R N 0.306 120.724 120.500 -0.137 0.000 2.297 158 R HA 0.029 4.351 4.340 -0.031 0.000 0.197 158 R C 0.078 176.302 176.300 -0.127 0.000 0.943 158 R CA -0.029 56.001 56.100 -0.116 0.000 1.038 158 R CB 0.031 30.293 30.300 -0.064 0.000 0.957 158 R HN 0.258 nan 8.270 nan 0.000 0.484 159 D N 1.917 122.220 120.400 -0.162 0.000 2.417 159 D HA -0.008 4.614 4.640 -0.031 0.000 0.250 159 D C -1.508 174.691 176.300 -0.168 0.000 1.166 159 D CA -1.590 52.331 54.000 -0.132 0.000 0.881 159 D CB 1.543 42.274 40.800 -0.116 0.000 1.164 159 D HN -0.031 nan 8.370 nan 0.000 0.467 160 P HA -0.123 nan 4.420 nan 0.000 0.218 160 P C 0.865 178.098 177.300 -0.111 0.000 1.149 160 P CA 0.763 63.800 63.100 -0.105 0.000 0.817 160 P CB 0.454 32.119 31.700 -0.059 0.000 0.785 161 N N -0.029 118.623 118.700 -0.079 0.000 2.135 161 N HA -0.067 4.654 4.740 -0.031 0.000 0.186 161 N C 1.872 177.309 175.510 -0.122 0.000 1.027 161 N CA 0.945 53.977 53.050 -0.030 0.000 0.849 161 N CB -0.531 37.982 38.487 0.044 0.000 1.002 161 N HN 0.071 nan 8.380 nan 0.000 0.425 162 I N 1.737 122.143 120.570 -0.273 0.000 2.127 162 I HA -0.226 3.926 4.170 -0.031 0.000 0.241 162 I C 2.530 178.023 176.117 -1.041 0.000 1.075 162 I CA 1.307 62.170 61.300 -0.728 0.000 1.334 162 I CB -1.631 35.859 38.000 -0.849 0.000 1.040 162 I HN 0.153 nan 8.210 nan 0.000 0.405 163 S N 0.904 116.234 115.700 -0.615 0.000 2.419 163 S HA -0.163 4.289 4.470 -0.031 0.000 0.233 163 S C 2.127 176.505 174.600 -0.371 0.000 1.016 163 S CA 1.319 59.234 58.200 -0.474 0.000 0.974 163 S CB -0.897 62.124 63.200 -0.299 0.000 0.786 163 S HN 0.586 nan 8.310 nan 0.000 0.492 164 S N 1.472 116.992 115.700 -0.300 0.000 2.419 164 S HA -0.100 4.352 4.470 -0.031 0.000 0.235 164 S C 1.767 176.349 174.600 -0.030 0.000 1.019 164 S CA 1.000 59.124 58.200 -0.126 0.000 0.982 164 S CB -0.961 62.216 63.200 -0.038 0.000 0.789 164 S HN 0.972 nan 8.310 nan 0.000 0.490 165 W N -0.472 120.778 121.300 -0.084 0.000 2.968 165 W HA 0.416 5.066 4.660 -0.016 0.000 0.253 165 W C 1.423 177.942 176.519 -0.000 0.000 1.150 165 W CA -0.212 57.097 57.345 -0.060 0.000 1.463 165 W CB -0.630 28.771 29.460 -0.097 0.000 0.906 165 W HN 0.297 nan 8.180 nan 0.000 0.650 166 L N 2.302 123.209 121.223 -0.526 0.000 2.072 166 L HA -0.036 4.286 4.340 -0.031 0.000 0.205 166 L C 2.533 179.388 176.870 -0.025 0.000 1.079 166 L CA 2.104 56.736 54.840 -0.347 0.000 0.752 166 L CB -0.723 40.839 42.059 -0.828 0.000 0.906 166 L HN -0.225 nan 8.230 nan 0.000 0.436 167 E N 0.048 120.194 120.200 -0.091 0.000 2.051 167 E HA -0.217 4.115 4.350 -0.031 0.000 0.192 167 E C 1.888 178.571 176.600 0.139 0.000 0.991 167 E CA 1.526 57.943 56.400 0.028 0.000 0.799 167 E CB -0.401 29.241 29.700 -0.096 0.000 0.748 167 E HN 0.568 nan 8.360 nan 0.000 0.449 168 D N 0.711 121.163 120.400 0.088 0.000 2.117 168 D HA -0.121 4.501 4.640 -0.031 0.000 0.197 168 D C 1.873 178.361 176.300 0.313 0.000 0.987 168 D CA 1.442 55.566 54.000 0.206 0.000 0.829 168 D CB -0.268 40.613 40.800 0.136 0.000 0.961 168 D HN 0.149 nan 8.370 nan 0.000 0.460 169 A N 1.141 124.099 122.820 0.231 0.000 1.902 169 A HA -0.070 4.232 4.320 -0.031 0.000 0.217 169 A C 2.331 179.815 177.584 -0.167 0.000 1.181 169 A CA 2.340 54.483 52.037 0.175 0.000 0.623 169 A CB -0.680 18.549 19.000 0.383 0.000 0.818 169 A HN 0.249 nan 8.150 nan 0.000 0.443 170 A N -1.522 121.166 122.820 -0.220 0.000 1.873 170 A HA -0.024 4.278 4.320 -0.031 0.000 0.215 170 A C 2.098 179.586 177.584 -0.161 0.000 1.186 170 A CA 1.519 53.236 52.037 -0.535 0.000 0.616 170 A CB -0.788 18.202 19.000 -0.017 0.000 0.823 170 A HN 0.542 nan 8.150 nan 0.000 0.442 171 Y N -1.501 118.777 120.300 -0.037 0.000 2.181 171 Y HA -0.153 4.378 4.550 -0.031 0.000 0.288 171 Y C 2.140 177.962 175.900 -0.129 0.000 1.146 171 Y CA 1.382 59.488 58.100 0.010 0.000 1.164 171 Y CB -0.802 37.770 38.460 0.186 0.000 0.982 171 Y HN 0.425 nan 8.280 nan 0.000 0.515 172 F N 0.296 120.217 119.950 -0.049 0.000 2.065 172 F HA -0.291 4.216 4.527 -0.033 0.000 0.298 172 F C 2.350 177.993 175.800 -0.261 0.000 1.112 172 F CA 1.708 59.511 58.000 -0.328 0.000 1.212 172 F CB -0.589 38.290 39.000 -0.201 0.000 0.975 172 F HN -0.020 nan 8.300 nan 0.000 0.476 173 A N 0.177 122.938 122.820 -0.097 0.000 1.933 173 A HA -0.045 4.257 4.320 -0.031 0.000 0.218 173 A C 2.363 179.676 177.584 -0.452 0.000 1.175 173 A CA 1.672 53.651 52.037 -0.097 0.000 0.628 173 A CB -1.526 17.527 19.000 0.087 0.000 0.814 173 A HN 0.535 nan 8.150 nan 0.000 0.444 174 A N -0.036 122.410 122.820 -0.624 0.000 1.898 174 A HA -0.056 4.245 4.320 -0.031 0.000 0.216 174 A C 2.105 179.183 177.584 -0.843 0.000 1.181 174 A CA 1.511 52.889 52.037 -1.099 0.000 0.620 174 A CB -0.561 18.068 19.000 -0.618 0.000 0.819 174 A HN 0.490 nan 8.150 nan 0.000 0.442 175 I N -0.352 119.766 120.570 -0.754 0.000 2.252 175 I HA -0.222 3.930 4.170 -0.031 0.000 0.245 175 I C 2.270 177.799 176.117 -0.980 0.000 1.102 175 I CA 1.765 62.491 61.300 -0.955 0.000 1.385 175 I CB -0.402 36.808 38.000 -1.316 0.000 1.064 175 I HN 0.408 nan 8.210 nan 0.000 0.414 176 D N 1.087 121.016 120.400 -0.784 0.000 2.123 176 D HA -0.272 4.349 4.640 -0.031 0.000 0.196 176 D C 1.905 178.048 176.300 -0.262 0.000 0.992 176 D CA 1.745 55.547 54.000 -0.331 0.000 0.833 176 D CB -0.116 40.545 40.800 -0.232 0.000 0.954 176 D HN 0.173 nan 8.370 nan 0.000 0.455 177 N N -0.667 117.810 118.700 -0.373 0.000 2.120 177 N HA -0.159 4.563 4.740 -0.031 0.000 0.188 177 N C 1.650 176.995 175.510 -0.275 0.000 1.024 177 N CA 1.683 54.559 53.050 -0.291 0.000 0.852 177 N CB -0.357 37.831 38.487 -0.497 0.000 1.003 177 N HN 0.115 nan 8.380 nan 0.000 0.424 178 S N -1.282 114.185 115.700 -0.390 0.000 2.362 178 S HA 0.021 4.473 4.470 -0.031 0.000 0.221 178 S C 1.835 176.272 174.600 -0.272 0.000 1.032 178 S CA 1.059 59.069 58.200 -0.316 0.000 0.973 178 S CB -0.396 62.585 63.200 -0.366 0.000 0.849 178 S HN 0.168 nan 8.310 nan 0.000 0.465 179 V N 1.901 121.596 119.914 -0.366 0.000 2.346 179 V HA 0.062 4.163 4.120 -0.031 0.000 0.244 179 V C 1.149 177.167 176.094 -0.126 0.000 1.037 179 V CA 1.169 63.289 62.300 -0.300 0.000 1.029 179 V CB -1.270 30.217 31.823 -0.560 0.000 0.663 179 V HN 0.749 nan 8.190 nan 0.000 0.454 180 N N 1.067 119.721 118.700 -0.076 0.000 2.738 180 N HA -0.153 4.568 4.740 -0.031 0.000 0.249 180 N C 0.078 175.623 175.510 0.057 0.000 1.047 180 N CA 0.902 53.960 53.050 0.012 0.000 0.707 180 N CB -1.093 37.385 38.487 -0.015 0.000 0.937 180 N HN 0.799 nan 8.380 nan 0.000 0.545 181 T N -2.793 111.845 114.554 0.141 0.000 2.912 181 T HA 0.493 4.824 4.350 -0.031 0.000 0.280 181 T C 2.012 176.727 174.700 0.025 0.000 0.989 181 T CA -0.864 61.302 62.100 0.111 0.000 0.995 181 T CB 0.948 69.930 68.868 0.190 0.000 1.077 181 T HN -0.037 nan 8.240 nan 0.000 0.531 182 I N 0.772 121.318 120.570 -0.041 0.000 2.226 182 I HA -0.027 4.125 4.170 -0.031 0.000 0.245 182 I C 1.561 177.447 176.117 -0.386 0.000 1.100 182 I CA 1.363 62.580 61.300 -0.138 0.000 1.374 182 I CB -1.337 36.614 38.000 -0.081 0.000 1.057 182 I HN 0.918 nan 8.210 nan 0.000 0.413 183 S N -0.082 115.435 115.700 -0.304 0.000 2.588 183 S HA 0.219 4.670 4.470 -0.031 0.000 0.275 183 S C 0.590 174.996 174.600 -0.323 0.000 1.130 183 S CA -0.849 57.088 58.200 -0.439 0.000 0.855 183 S CB 1.099 64.199 63.200 -0.166 0.000 1.116 183 S HN 0.385 nan 8.310 nan 0.000 0.472 184 W N 1.385 122.415 121.300 -0.449 0.000 2.468 184 W HA -0.120 4.525 4.660 -0.026 0.000 0.262 184 W C 1.084 177.314 176.519 -0.482 0.000 1.241 184 W CA 0.744 57.220 57.345 -1.449 0.000 1.232 184 W CB -0.933 27.465 29.460 -1.770 0.000 1.124 184 W HN 0.896 nan 8.180 nan 0.000 0.597 185 Y N 3.094 123.013 120.300 -0.636 0.000 2.256 185 Y HA -0.230 4.301 4.550 -0.031 0.000 0.288 185 Y C 1.507 177.378 175.900 -0.050 0.000 1.155 185 Y CA 2.283 60.170 58.100 -0.354 0.000 1.203 185 Y CB -0.522 37.794 38.460 -0.240 0.000 0.980 185 Y HN -0.123 nan 8.280 nan 0.000 0.530 186 D N -1.076 119.318 120.400 -0.009 0.000 2.368 186 D HA -0.035 4.587 4.640 -0.031 0.000 0.218 186 D C -0.263 176.165 176.300 0.214 0.000 1.112 186 D CA -0.031 53.996 54.000 0.046 0.000 0.834 186 D CB -0.257 40.603 40.800 0.099 0.000 0.953 186 D HN 0.190 nan 8.370 nan 0.000 0.505 187 W N 2.037 123.371 121.300 0.057 0.000 2.150 187 W HA 0.208 4.848 4.660 -0.033 0.000 0.341 187 W C -1.838 174.688 176.519 0.011 0.000 1.276 187 W CA -2.542 54.828 57.345 0.041 0.000 1.238 187 W CB -0.942 28.572 29.460 0.090 0.000 1.128 187 W HN -0.132 nan 8.180 nan 0.000 0.581 188 P HA -0.124 nan 4.420 nan 0.000 0.264 188 P C 1.055 178.403 177.300 0.080 0.000 1.183 188 P CA 0.392 63.533 63.100 0.068 0.000 0.763 188 P CB 0.603 32.295 31.700 -0.015 0.000 0.807 189 E N 5.048 125.269 120.200 0.035 0.000 2.114 189 E HA -0.211 4.120 4.350 -0.031 0.000 0.199 189 E C -0.909 175.594 176.600 -0.161 0.000 1.008 189 E CA 2.254 58.666 56.400 0.020 0.000 0.810 189 E CB -1.567 28.158 29.700 0.042 0.000 0.739 189 E HN 0.375 nan 8.360 nan 0.000 0.456 190 P HA -0.096 nan 4.420 nan 0.000 0.220 190 P C 1.407 178.535 177.300 -0.286 0.000 1.148 190 P CA 1.103 63.663 63.100 -0.900 0.000 0.803 190 P CB -0.071 31.344 31.700 -0.476 0.000 0.782 191 L N -1.017 120.199 121.223 -0.013 0.000 2.221 191 L HA 0.047 4.369 4.340 -0.031 0.000 0.202 191 L C 2.526 179.760 176.870 0.607 0.000 1.074 191 L CA 0.861 55.834 54.840 0.221 0.000 0.795 191 L CB -0.666 41.403 42.059 0.017 0.000 0.960 191 L HN -0.147 nan 8.230 nan 0.000 0.458 192 K N 0.644 121.389 120.400 0.575 0.000 2.044 192 K HA -0.183 4.119 4.320 -0.031 0.000 0.210 192 K C 1.180 178.079 176.600 0.499 0.000 1.049 192 K CA 1.748 58.450 56.287 0.692 0.000 0.927 192 K CB 0.067 32.855 32.500 0.480 0.000 0.713 192 K HN 0.242 nan 8.250 nan 0.000 0.443 193 N N 0.760 119.639 118.700 0.298 0.000 2.251 193 N HA 0.069 4.791 4.740 -0.031 0.000 0.217 193 N C -0.779 174.839 175.510 0.181 0.000 1.124 193 N CA 0.089 53.264 53.050 0.209 0.000 0.843 193 N CB 0.539 39.179 38.487 0.254 0.000 1.024 193 N HN 0.162 nan 8.380 nan 0.000 0.501 194 R N 0.903 121.503 120.500 0.168 0.000 3.333 194 R HA -0.167 4.155 4.340 -0.031 0.000 0.256 194 R C -0.806 175.587 176.300 0.156 0.000 1.010 194 R CA 0.415 56.562 56.100 0.077 0.000 0.680 194 R CB -2.472 27.684 30.300 -0.240 0.000 1.102 194 R HN 0.550 nan 8.270 nan 0.000 0.440 195 H N 0.630 119.727 119.070 0.044 0.000 3.070 195 H HA -0.076 4.460 4.556 -0.032 0.000 0.313 195 H C 1.556 176.896 175.328 0.020 0.000 0.997 195 H CA -0.454 55.610 56.048 0.027 0.000 1.438 195 H CB 0.910 30.698 29.762 0.044 0.000 1.455 195 H HN 0.078 nan 8.280 nan 0.000 0.575 196 L N 4.285 125.566 121.223 0.096 0.000 2.013 196 L HA -0.254 4.068 4.340 -0.031 0.000 0.212 196 L C 2.355 179.270 176.870 0.075 0.000 1.073 196 L CA 2.192 57.060 54.840 0.047 0.000 0.753 196 L CB -1.086 40.977 42.059 0.005 0.000 0.890 196 L HN 0.824 nan 8.230 nan 0.000 0.432 197 A N -1.161 121.714 122.820 0.092 0.000 1.930 197 A HA -0.047 4.255 4.320 -0.031 0.000 0.217 197 A C 2.430 180.075 177.584 0.101 0.000 1.175 197 A CA 1.673 53.762 52.037 0.087 0.000 0.627 197 A CB -0.961 18.086 19.000 0.078 0.000 0.815 197 A HN 0.530 nan 8.150 nan 0.000 0.443 198 A N -0.139 122.757 122.820 0.126 0.000 1.902 198 A HA -0.035 4.267 4.320 -0.031 0.000 0.217 198 A C 2.150 179.805 177.584 0.118 0.000 1.181 198 A CA 1.481 53.575 52.037 0.094 0.000 0.623 198 A CB -0.572 18.463 19.000 0.058 0.000 0.818 198 A HN 0.475 nan 8.150 nan 0.000 0.443 199 L N -0.828 120.487 121.223 0.153 0.000 2.056 199 L HA -0.187 4.135 4.340 -0.031 0.000 0.207 199 L C 2.569 179.605 176.870 0.276 0.000 1.078 199 L CA 1.522 56.498 54.840 0.226 0.000 0.749 199 L CB -0.680 41.458 42.059 0.130 0.000 0.901 199 L HN 0.460 nan 8.230 nan 0.000 0.433 200 E N 0.125 120.434 120.200 0.181 0.000 2.058 200 E HA -0.303 4.029 4.350 -0.031 0.000 0.194 200 E C 2.076 178.778 176.600 0.171 0.000 0.997 200 E CA 1.513 58.023 56.400 0.184 0.000 0.801 200 E CB -0.085 29.684 29.700 0.114 0.000 0.746 200 E HN 0.456 nan 8.360 nan 0.000 0.450 201 E N 0.528 120.795 120.200 0.112 0.000 2.110 201 E HA -0.182 4.150 4.350 -0.031 0.000 0.193 201 E C 2.114 178.735 176.600 0.035 0.000 0.988 201 E CA 0.985 57.420 56.400 0.058 0.000 0.804 201 E CB 0.170 29.890 29.700 0.032 0.000 0.745 201 E HN 0.038 nan 8.360 nan 0.000 0.458 202 V N 0.502 120.456 119.914 0.066 0.000 2.287 202 V HA -0.275 3.826 4.120 -0.031 0.000 0.248 202 V C 2.127 178.202 176.094 -0.031 0.000 1.053 202 V CA 2.100 64.399 62.300 -0.002 0.000 1.027 202 V CB -0.687 31.163 31.823 0.045 0.000 0.646 202 V HN 0.438 nan 8.190 nan 0.000 0.447 203 Y N 0.734 121.003 120.300 -0.052 0.000 2.274 203 Y HA -0.193 4.346 4.550 -0.019 0.000 0.290 203 Y C 2.629 178.496 175.900 -0.055 0.000 1.145 203 Y CA 1.468 59.501 58.100 -0.111 0.000 1.203 203 Y CB -0.174 38.304 38.460 0.030 0.000 0.984 203 Y HN 0.261 nan 8.280 nan 0.000 0.533 204 Q N -0.439 119.299 119.800 -0.103 0.000 2.079 204 Q HA -0.129 4.193 4.340 -0.031 0.000 0.200 204 Q C 2.525 178.416 176.000 -0.182 0.000 0.974 204 Q CA 1.833 57.538 55.803 -0.164 0.000 0.840 204 Q CB -0.754 27.956 28.738 -0.048 0.000 0.898 204 Q HN 0.611 nan 8.270 nan 0.000 0.430 205 S N -0.090 115.527 115.700 -0.140 0.000 2.478 205 S HA 0.027 4.479 4.470 -0.031 0.000 0.222 205 S C 0.989 175.500 174.600 -0.150 0.000 1.008 205 S CA 0.281 58.403 58.200 -0.129 0.000 0.928 205 S CB 0.246 63.383 63.200 -0.106 0.000 0.781 205 S HN 0.147 nan 8.310 nan 0.000 0.518 206 E N 0.891 120.979 120.200 -0.187 0.000 2.789 206 E HA 0.277 4.609 4.350 -0.031 0.000 0.208 206 E C 0.829 177.335 176.600 -0.156 0.000 0.988 206 E CA -0.173 56.132 56.400 -0.158 0.000 1.092 206 E CB 0.354 29.923 29.700 -0.218 0.000 1.066 206 E HN 0.550 nan 8.360 nan 0.000 0.465 207 K N 1.292 121.501 120.400 -0.318 0.000 2.034 207 K HA -0.222 4.080 4.320 -0.031 0.000 0.214 207 K C 0.959 177.475 176.600 -0.139 0.000 1.051 207 K CA 1.926 57.914 56.287 -0.497 0.000 0.931 207 K CB 0.219 32.368 32.500 -0.584 0.000 0.715 207 K HN -0.070 nan 8.250 nan 0.000 0.446 208 D N -0.211 120.150 120.400 -0.065 0.000 2.117 208 D HA -0.162 4.460 4.640 -0.031 0.000 0.197 208 D C 1.650 177.995 176.300 0.075 0.000 0.987 208 D CA 0.944 54.949 54.000 0.009 0.000 0.829 208 D CB -0.346 40.457 40.800 0.005 0.000 0.961 208 D HN 0.237 nan 8.370 nan 0.000 0.460 209 F N 1.079 121.010 119.950 -0.031 0.000 2.095 209 F HA -0.173 4.334 4.527 -0.033 0.000 0.298 209 F C 2.198 178.038 175.800 0.068 0.000 1.104 209 F CA 1.283 59.290 58.000 0.012 0.000 1.232 209 F CB -0.093 38.886 39.000 -0.035 0.000 0.987 209 F HN -0.121 nan 8.300 nan 0.000 0.475 210 I N 0.148 120.925 120.570 0.345 0.000 2.202 210 I HA -0.297 3.855 4.170 -0.031 0.000 0.242 210 I C 1.966 178.236 176.117 0.256 0.000 1.091 210 I CA 1.430 62.898 61.300 0.279 0.000 1.368 210 I CB -0.593 37.495 38.000 0.148 0.000 1.058 210 I HN 0.108 nan 8.210 nan 0.000 0.410 211 D N 0.997 121.529 120.400 0.220 0.000 2.123 211 D HA -0.159 4.462 4.640 -0.031 0.000 0.196 211 D C 2.226 178.605 176.300 0.131 0.000 0.992 211 D CA 1.455 55.562 54.000 0.179 0.000 0.833 211 D CB -0.233 40.649 40.800 0.136 0.000 0.954 211 D HN 0.336 nan 8.370 nan 0.000 0.455 212 I N -0.051 120.560 120.570 0.069 0.000 2.252 212 I HA -0.226 3.926 4.170 -0.031 0.000 0.245 212 I C 2.234 178.361 176.117 0.017 0.000 1.102 212 I CA 0.552 61.854 61.300 0.004 0.000 1.385 212 I CB -0.213 37.734 38.000 -0.087 0.000 1.064 212 I HN -0.100 nan 8.210 nan 0.000 0.414 213 F N 1.582 121.454 119.950 -0.130 0.000 2.120 213 F HA -0.270 4.237 4.527 -0.033 0.000 0.300 213 F C 2.305 178.157 175.800 0.087 0.000 1.095 213 F CA 1.814 59.781 58.000 -0.055 0.000 1.249 213 F CB -0.096 38.906 39.000 0.002 0.000 0.995 213 F HN -0.092 nan 8.300 nan 0.000 0.480 214 I N -0.132 120.672 120.570 0.391 0.000 2.252 214 I HA -0.278 3.873 4.170 -0.031 0.000 0.245 214 I C 2.684 178.978 176.117 0.294 0.000 1.102 214 I CA 1.088 62.608 61.300 0.366 0.000 1.385 214 I CB -0.859 37.319 38.000 0.297 0.000 1.064 214 I HN 0.215 nan 8.210 nan 0.000 0.414 215 A N 0.201 123.136 122.820 0.190 0.000 1.908 215 A HA -0.278 4.024 4.320 -0.031 0.000 0.218 215 A C 2.251 179.918 177.584 0.138 0.000 1.181 215 A CA 1.691 53.825 52.037 0.161 0.000 0.627 215 A CB -0.639 18.418 19.000 0.093 0.000 0.818 215 A HN 0.483 nan 8.150 nan 0.000 0.445 216 Q N -1.059 118.762 119.800 0.035 0.000 2.084 216 Q HA -0.189 4.133 4.340 -0.031 0.000 0.202 216 Q C 2.284 178.276 176.000 -0.013 0.000 0.978 216 Q CA 1.398 57.179 55.803 -0.036 0.000 0.844 216 Q CB -0.167 28.472 28.738 -0.165 0.000 0.898 216 Q HN 0.609 nan 8.270 nan 0.000 0.426 217 Q N -0.246 119.563 119.800 0.015 0.000 2.167 217 Q HA -0.135 4.187 4.340 -0.031 0.000 0.202 217 Q C 1.851 177.882 176.000 0.052 0.000 0.970 217 Q CA 0.949 56.839 55.803 0.144 0.000 0.855 217 Q CB -0.292 28.649 28.738 0.339 0.000 0.911 217 Q HN 0.370 nan 8.270 nan 0.000 0.438 218 F N 1.170 120.937 119.950 -0.305 0.000 2.134 218 F HA -0.164 4.345 4.527 -0.029 0.000 0.299 218 F C 1.884 177.456 175.800 -0.381 0.000 1.097 218 F CA 1.044 58.521 58.000 -0.871 0.000 1.264 218 F CB -0.256 38.385 39.000 -0.598 0.000 1.001 218 F HN -0.034 nan 8.300 nan 0.000 0.479 219 L N -0.989 120.066 121.223 -0.280 0.000 2.046 219 L HA -0.194 4.128 4.340 -0.031 0.000 0.208 219 L C 2.446 179.175 176.870 -0.235 0.000 1.077 219 L CA 1.511 56.178 54.840 -0.287 0.000 0.747 219 L CB -0.930 41.097 42.059 -0.055 0.000 0.896 219 L HN 0.253 nan 8.230 nan 0.000 0.432 220 F N 1.027 120.851 119.950 -0.209 0.000 2.069 220 F HA -0.324 4.183 4.527 -0.033 0.000 0.298 220 F C 2.749 178.488 175.800 -0.103 0.000 1.113 220 F CA 2.049 59.980 58.000 -0.114 0.000 1.214 220 F CB -0.186 38.767 39.000 -0.079 0.000 0.978 220 F HN 0.016 nan 8.300 nan 0.000 0.474 221 Q N 0.788 120.574 119.800 -0.024 0.000 2.077 221 Q HA -0.271 4.051 4.340 -0.031 0.000 0.206 221 Q C 2.434 178.291 176.000 -0.237 0.000 0.989 221 Q CA 2.415 58.188 55.803 -0.050 0.000 0.853 221 Q CB -0.474 28.193 28.738 -0.118 0.000 0.907 221 Q HN 0.490 nan 8.270 nan 0.000 0.418 222 R N -0.620 119.575 120.500 -0.508 0.000 2.081 222 R HA -0.154 4.168 4.340 -0.031 0.000 0.235 222 R C 2.314 178.463 176.300 -0.252 0.000 1.131 222 R CA 1.849 57.684 56.100 -0.442 0.000 0.960 222 R CB -0.097 29.770 30.300 -0.721 0.000 0.856 222 R HN 0.431 nan 8.270 nan 0.000 0.436 223 Q N -0.658 118.987 119.800 -0.259 0.000 2.079 223 Q HA -0.227 4.094 4.340 -0.031 0.000 0.200 223 Q C 1.877 177.788 176.000 -0.149 0.000 0.974 223 Q CA 1.486 57.193 55.803 -0.160 0.000 0.840 223 Q CB -0.317 28.335 28.738 -0.145 0.000 0.898 223 Q HN 0.559 nan 8.270 nan 0.000 0.430 224 W N 1.904 122.928 121.300 -0.460 0.000 2.358 224 W HA -0.184 4.456 4.660 -0.033 0.000 0.303 224 W C 1.475 177.901 176.519 -0.154 0.000 1.208 224 W CA 1.037 58.148 57.345 -0.390 0.000 1.274 224 W CB 0.088 29.166 29.460 -0.636 0.000 1.138 224 W HN 0.027 nan 8.180 nan 0.000 0.515 225 K N 0.817 121.135 120.400 -0.138 0.000 2.063 225 K HA -0.236 4.065 4.320 -0.031 0.000 0.208 225 K C 1.933 178.459 176.600 -0.122 0.000 1.048 225 K CA 1.649 57.864 56.287 -0.121 0.000 0.928 225 K CB -0.746 31.739 32.500 -0.025 0.000 0.713 225 K HN 0.217 nan 8.250 nan 0.000 0.442 226 K N 0.974 121.331 120.400 -0.072 0.000 2.063 226 K HA -0.126 4.176 4.320 -0.031 0.000 0.208 226 K C 2.070 178.737 176.600 0.111 0.000 1.048 226 K CA 1.206 57.521 56.287 0.047 0.000 0.928 226 K CB 0.028 32.592 32.500 0.108 0.000 0.713 226 K HN -0.125 nan 8.250 nan 0.000 0.442 227 V N 1.147 120.999 119.914 -0.103 0.000 2.295 227 V HA -0.237 3.865 4.120 -0.031 0.000 0.246 227 V C 2.558 178.523 176.094 -0.215 0.000 1.049 227 V CA 2.148 64.290 62.300 -0.262 0.000 1.024 227 V CB -0.556 30.974 31.823 -0.489 0.000 0.648 227 V HN 0.413 nan 8.190 nan 0.000 0.447 228 R N -0.008 120.225 120.500 -0.445 0.000 2.081 228 R HA -0.188 4.134 4.340 -0.031 0.000 0.235 228 R C 2.045 178.310 176.300 -0.059 0.000 1.131 228 R CA 2.058 57.985 56.100 -0.288 0.000 0.960 228 R CB -0.379 29.698 30.300 -0.372 0.000 0.856 228 R HN 0.495 nan 8.270 nan 0.000 0.436 229 D N -0.499 119.886 120.400 -0.025 0.000 2.123 229 D HA -0.209 4.412 4.640 -0.031 0.000 0.196 229 D C 1.553 177.894 176.300 0.069 0.000 0.992 229 D CA 1.225 55.243 54.000 0.030 0.000 0.833 229 D CB -0.394 40.430 40.800 0.040 0.000 0.954 229 D HN 0.291 nan 8.370 nan 0.000 0.455 230 Y N 1.386 121.700 120.300 0.023 0.000 2.145 230 Y HA -0.182 4.349 4.550 -0.031 0.000 0.286 230 Y C 2.301 178.205 175.900 0.006 0.000 1.145 230 Y CA 1.710 59.842 58.100 0.054 0.000 1.148 230 Y CB -0.372 38.231 38.460 0.239 0.000 0.981 230 Y HN -0.045 nan 8.280 nan 0.000 0.507 231 A N 0.542 123.443 122.820 0.134 0.000 1.873 231 A HA -0.291 4.010 4.320 -0.031 0.000 0.218 231 A C 2.353 179.936 177.584 -0.002 0.000 1.193 231 A CA 2.160 54.239 52.037 0.070 0.000 0.629 231 A CB -0.940 18.152 19.000 0.153 0.000 0.826 231 A HN 0.552 nan 8.150 nan 0.000 0.447 232 R N 0.218 120.722 120.500 0.005 0.000 2.105 232 R HA -0.155 4.167 4.340 -0.031 0.000 0.239 232 R C 2.430 178.694 176.300 -0.061 0.000 1.135 232 R CA 2.057 58.154 56.100 -0.005 0.000 0.967 232 R CB -0.365 29.942 30.300 0.011 0.000 0.861 232 R HN 0.657 nan 8.270 nan 0.000 0.442 233 S N 0.046 115.669 115.700 -0.129 0.000 2.419 233 S HA -0.075 4.377 4.470 -0.031 0.000 0.235 233 S C 1.279 175.726 174.600 -0.256 0.000 1.019 233 S CA 0.911 58.989 58.200 -0.204 0.000 0.982 233 S CB 0.044 63.068 63.200 -0.294 0.000 0.789 233 S HN 0.225 nan 8.310 nan 0.000 0.490 234 K N 0.796 121.038 120.400 -0.263 0.000 2.410 234 K HA 0.300 4.602 4.320 -0.031 0.000 0.200 234 K C 1.182 177.792 176.600 0.016 0.000 1.023 234 K CA 0.490 56.636 56.287 -0.235 0.000 1.149 234 K CB -0.180 32.144 32.500 -0.293 0.000 0.859 234 K HN 0.568 nan 8.250 nan 0.000 0.514 235 G N 2.009 110.805 108.800 -0.007 0.000 2.176 235 G HA2 -0.263 3.678 3.960 -0.031 0.000 0.252 235 G HA3 -0.263 3.678 3.960 -0.031 0.000 0.252 235 G C -0.012 174.914 174.900 0.043 0.000 1.024 235 G CA 0.022 45.139 45.100 0.028 0.000 0.755 235 G HN 0.320 nan 8.290 nan 0.000 0.507 236 I N 1.361 121.961 120.570 0.050 0.000 2.362 236 I HA 0.389 4.541 4.170 -0.031 0.000 0.289 236 I C 0.539 176.736 176.117 0.134 0.000 0.994 236 I CA -0.580 60.776 61.300 0.092 0.000 1.158 236 I CB 1.823 39.879 38.000 0.094 0.000 1.315 236 I HN 0.079 nan 8.210 nan 0.000 0.451 237 S N 6.461 122.251 115.700 0.151 0.000 2.632 237 S HA 0.598 5.049 4.470 -0.031 0.000 0.271 237 S C -0.155 174.600 174.600 0.257 0.000 1.260 237 S CA -0.494 57.813 58.200 0.178 0.000 1.010 237 S CB 1.161 64.446 63.200 0.142 0.000 0.965 237 S HN 0.338 nan 8.310 nan 0.000 0.534 238 I N 2.270 123.008 120.570 0.281 0.000 2.378 238 I HA 0.359 4.510 4.170 -0.031 0.000 0.291 238 I C -0.328 175.946 176.117 0.262 0.000 0.992 238 I CA -0.228 61.258 61.300 0.311 0.000 1.154 238 I CB 1.461 39.695 38.000 0.389 0.000 1.315 238 I HN 0.436 nan 8.210 nan 0.000 0.448 239 M N 6.009 125.686 119.600 0.128 0.000 2.129 239 M HA 0.543 5.005 4.480 -0.031 0.000 0.348 239 M C -0.006 176.153 176.300 -0.235 0.000 1.116 239 M CA -0.150 55.171 55.300 0.035 0.000 1.022 239 M CB 1.138 33.780 32.600 0.070 0.000 1.599 239 M HN 0.736 nan 8.290 nan 0.000 0.449 240 G N 2.375 110.816 108.800 -0.599 0.000 2.583 240 G HA2 0.485 4.426 3.960 -0.031 0.000 0.280 240 G HA3 0.485 4.426 3.960 -0.031 0.000 0.280 240 G C -1.611 172.974 174.900 -0.526 0.000 1.376 240 G CA -0.269 44.009 45.100 -1.371 0.000 1.043 240 G HN 0.648 nan 8.290 nan 0.000 0.538 241 D N -1.066 119.045 120.400 -0.482 0.000 2.886 241 D HA 0.471 5.093 4.640 -0.031 0.000 0.216 241 D C -0.595 175.663 176.300 -0.070 0.000 1.256 241 D CA -0.445 53.493 54.000 -0.103 0.000 0.844 241 D CB 1.758 42.511 40.800 -0.080 0.000 1.669 241 D HN 0.551 nan 8.370 nan 0.000 0.513 242 M N 1.561 121.223 119.600 0.103 0.000 2.326 242 M HA 0.661 5.122 4.480 -0.031 0.000 0.292 242 M C -2.956 173.469 176.300 0.208 0.000 1.081 242 M CA -1.701 53.652 55.300 0.089 0.000 0.919 242 M CB 3.066 35.701 32.600 0.057 0.000 1.634 242 M HN -0.095 nan 8.290 nan 0.000 0.451 243 P HA 0.085 nan 4.420 nan 0.000 0.271 243 P C 0.433 177.883 177.300 0.250 0.000 1.218 243 P CA -0.131 63.092 63.100 0.204 0.000 0.780 243 P CB 1.299 33.095 31.700 0.160 0.000 0.901 244 I N 1.544 122.231 120.570 0.196 0.000 2.286 244 I HA -0.173 3.979 4.170 -0.031 0.000 0.248 244 I C 0.288 176.603 176.117 0.331 0.000 1.115 244 I CA 1.333 62.766 61.300 0.222 0.000 1.392 244 I CB 0.013 37.870 38.000 -0.239 0.000 1.065 244 I HN 0.181 nan 8.210 nan 0.000 0.418 245 Y N 0.099 120.622 120.300 0.372 0.000 2.488 245 Y HA 0.483 5.015 4.550 -0.032 0.000 0.325 245 Y C 0.283 176.295 175.900 0.186 0.000 1.204 245 Y CA -1.247 56.998 58.100 0.241 0.000 1.229 245 Y CB 0.956 39.473 38.460 0.094 0.000 1.274 245 Y HN -0.160 nan 8.280 nan 0.000 0.493 246 V N -1.063 119.053 119.914 0.337 0.000 3.019 246 V HA 0.979 5.080 4.120 -0.031 0.000 0.317 246 V C 0.227 176.353 176.094 0.054 0.000 1.094 246 V CA -1.088 61.325 62.300 0.188 0.000 1.000 246 V CB 1.341 33.322 31.823 0.262 0.000 1.060 246 V HN 0.899 nan 8.190 nan 0.000 0.443 247 G N -0.210 108.593 108.800 0.004 0.000 2.467 247 G HA2 0.309 4.250 3.960 -0.031 0.000 0.257 247 G HA3 0.309 4.250 3.960 -0.031 0.000 0.257 247 G C -0.128 174.745 174.900 -0.045 0.000 1.227 247 G CA 0.003 45.100 45.100 -0.006 0.000 0.835 247 G HN 1.003 nan 8.290 nan 0.000 0.556 248 Y N 1.561 121.786 120.300 -0.126 0.000 2.097 248 Y HA -0.178 4.355 4.550 -0.029 0.000 0.282 248 Y C 1.724 177.696 175.900 0.119 0.000 1.152 248 Y CA 1.864 59.893 58.100 -0.118 0.000 1.136 248 Y CB -0.236 38.095 38.460 -0.215 0.000 0.975 248 Y HN 0.552 nan 8.280 nan 0.000 0.498 249 H N 1.433 120.546 119.070 0.072 0.000 3.092 249 H HA 0.378 4.917 4.556 -0.029 0.000 0.263 249 H C -0.875 174.473 175.328 0.033 0.000 1.611 249 H CA -0.099 56.058 56.048 0.183 0.000 1.457 249 H CB -0.620 29.287 29.762 0.242 0.000 1.731 249 H HN 0.249 nan 8.280 nan 0.000 0.532 250 S N 1.316 116.677 115.700 -0.564 0.000 2.588 250 S HA 0.538 4.990 4.470 -0.031 0.000 0.269 250 S C 0.957 174.687 174.600 -1.451 0.000 1.157 250 S CA -0.524 57.022 58.200 -1.091 0.000 0.824 250 S CB 1.000 63.926 63.200 -0.457 0.000 1.126 250 S HN 0.380 nan 8.310 nan 0.000 0.464 251 A N 0.927 122.936 122.820 -1.352 0.000 1.972 251 A HA -0.052 4.250 4.320 -0.031 0.000 0.219 251 A C 1.618 179.092 177.584 -0.184 0.000 1.169 251 A CA 1.804 53.552 52.037 -0.481 0.000 0.635 251 A CB -1.062 17.885 19.000 -0.088 0.000 0.810 251 A HN 0.877 nan 8.150 nan 0.000 0.446 252 D N -0.191 120.110 120.400 -0.165 0.000 2.123 252 D HA -0.127 4.495 4.640 -0.031 0.000 0.196 252 D C 1.987 178.297 176.300 0.016 0.000 0.992 252 D CA 1.784 55.851 54.000 0.112 0.000 0.833 252 D CB -0.136 40.797 40.800 0.221 0.000 0.954 252 D HN 0.321 nan 8.370 nan 0.000 0.455 253 V N -0.045 119.655 119.914 -0.357 0.000 2.374 253 V HA -0.127 3.974 4.120 -0.031 0.000 0.241 253 V C 2.067 177.883 176.094 -0.463 0.000 1.034 253 V CA 0.935 62.861 62.300 -0.622 0.000 1.037 253 V CB -0.630 30.713 31.823 -0.801 0.000 0.682 253 V HN 0.269 nan 8.190 nan 0.000 0.463 254 W N 1.775 122.538 121.300 -0.895 0.000 2.342 254 W HA -0.174 4.467 4.660 -0.031 0.000 0.297 254 W C 2.077 178.238 176.519 -0.597 0.000 1.213 254 W CA 1.919 58.519 57.345 -1.242 0.000 1.251 254 W CB -0.141 28.520 29.460 -1.332 0.000 1.136 254 W HN 0.161 nan 8.180 nan 0.000 0.526 255 A N -0.236 122.303 122.820 -0.467 0.000 2.275 255 A HA 0.171 4.473 4.320 -0.031 0.000 0.212 255 A C 0.313 177.736 177.584 -0.269 0.000 1.201 255 A CA 0.642 52.362 52.037 -0.528 0.000 0.843 255 A CB -0.541 18.294 19.000 -0.274 0.000 0.873 255 A HN 0.435 nan 8.150 nan 0.000 0.492 256 N N -1.026 117.579 118.700 -0.158 0.000 2.628 256 N HA 0.159 4.881 4.740 -0.031 0.000 0.299 256 N C 0.458 175.985 175.510 0.028 0.000 1.834 256 N CA -0.223 52.814 53.050 -0.020 0.000 0.871 256 N CB 0.796 39.361 38.487 0.131 0.000 1.377 256 N HN 0.179 nan 8.380 nan 0.000 0.493 257 K N 0.644 121.014 120.400 -0.051 0.000 2.103 257 K HA -0.055 4.246 4.320 -0.031 0.000 0.207 257 K C 1.315 177.982 176.600 0.113 0.000 1.048 257 K CA 0.894 57.210 56.287 0.049 0.000 0.930 257 K CB 0.140 32.641 32.500 0.002 0.000 0.716 257 K HN 0.142 nan 8.250 nan 0.000 0.444 258 K N 0.771 121.183 120.400 0.019 0.000 2.504 258 K HA -0.062 4.239 4.320 -0.031 0.000 0.195 258 K C 1.622 178.168 176.600 -0.091 0.000 1.036 258 K CA 0.739 57.019 56.287 -0.012 0.000 0.984 258 K CB 0.207 32.691 32.500 -0.028 0.000 0.788 258 K HN 0.231 nan 8.250 nan 0.000 0.488 259 Q N -0.560 119.129 119.800 -0.185 0.000 2.435 259 Q HA 0.072 4.394 4.340 -0.031 0.000 0.207 259 Q C 0.182 175.697 176.000 -0.809 0.000 0.956 259 Q CA 0.596 56.068 55.803 -0.551 0.000 0.917 259 Q CB 0.073 28.243 28.738 -0.948 0.000 0.997 259 Q HN 0.162 nan 8.270 nan 0.000 0.497 260 F N -0.577 119.257 119.950 -0.193 0.000 2.579 260 F HA 0.373 4.880 4.527 -0.033 0.000 0.324 260 F C 0.242 175.986 175.800 -0.092 0.000 1.058 260 F CA -1.075 56.822 58.000 -0.172 0.000 0.944 260 F CB 1.260 40.158 39.000 -0.171 0.000 1.245 260 F HN -0.279 nan 8.300 nan 0.000 0.477 261 L N 4.028 125.304 121.223 0.088 0.000 2.375 261 L HA 0.327 4.649 4.340 -0.031 0.000 0.276 261 L C -0.855 176.059 176.870 0.072 0.000 1.162 261 L CA 0.085 54.961 54.840 0.061 0.000 0.991 261 L CB -0.559 41.523 42.059 0.039 0.000 1.315 261 L HN 0.350 nan 8.230 nan 0.000 0.431 262 L N 1.706 122.994 121.223 0.108 0.000 2.333 262 L HA 0.510 4.832 4.340 -0.031 0.000 0.269 262 L C 0.172 177.116 176.870 0.124 0.000 1.010 262 L CA -1.122 53.793 54.840 0.126 0.000 0.818 262 L CB 1.665 43.851 42.059 0.211 0.000 1.306 262 L HN 0.471 nan 8.230 nan 0.000 0.430 263 N N 0.783 119.569 118.700 0.143 0.000 2.322 263 N HA 0.080 4.802 4.740 -0.031 0.000 0.270 263 N C 0.533 176.139 175.510 0.160 0.000 1.286 263 N CA -0.334 52.799 53.050 0.138 0.000 0.948 263 N CB 0.377 38.946 38.487 0.136 0.000 1.164 263 N HN 0.386 nan 8.380 nan 0.000 0.551 264 R N -0.803 119.777 120.500 0.133 0.000 2.189 264 R HA 0.058 4.380 4.340 -0.031 0.000 0.223 264 R C 1.116 177.515 176.300 0.164 0.000 1.092 264 R CA 1.123 57.299 56.100 0.127 0.000 0.989 264 R CB -0.226 30.129 30.300 0.091 0.000 0.876 264 R HN 0.598 nan 8.270 nan 0.000 0.457 265 K N -0.458 120.067 120.400 0.208 0.000 2.417 265 K HA 0.168 4.469 4.320 -0.031 0.000 0.196 265 K C 0.469 177.304 176.600 0.392 0.000 1.023 265 K CA 0.529 56.966 56.287 0.251 0.000 1.122 265 K CB 0.766 33.420 32.500 0.257 0.000 0.850 265 K HN 0.356 nan 8.250 nan 0.000 0.521 266 G N 1.577 110.614 108.800 0.395 0.000 2.143 266 G HA2 -0.286 3.656 3.960 -0.031 0.000 0.249 266 G HA3 -0.286 3.656 3.960 -0.031 0.000 0.249 266 G C -0.220 174.939 174.900 0.431 0.000 0.981 266 G CA -0.344 45.050 45.100 0.490 0.000 0.665 266 G HN 0.302 nan 8.290 nan 0.000 0.528 267 F N 1.840 121.885 119.950 0.159 0.000 2.394 267 F HA 0.606 5.115 4.527 -0.031 0.000 0.340 267 F C -1.851 173.872 175.800 -0.129 0.000 1.105 267 F CA -2.455 55.432 58.000 -0.188 0.000 1.124 267 F CB 1.422 40.170 39.000 -0.419 0.000 1.145 267 F HN -0.103 nan 8.300 nan 0.000 0.505 268 P HA 0.045 nan 4.420 nan 0.000 0.265 268 P C 0.480 177.688 177.300 -0.153 0.000 1.193 268 P CA 0.429 63.308 63.100 -0.369 0.000 0.765 268 P CB 0.624 31.986 31.700 -0.564 0.000 0.823 269 L N 3.467 124.661 121.223 -0.049 0.000 2.095 269 L HA 0.059 4.381 4.340 -0.031 0.000 0.204 269 L C 1.191 178.029 176.870 -0.052 0.000 1.080 269 L CA 1.250 56.084 54.840 -0.010 0.000 0.759 269 L CB -0.367 41.698 42.059 0.010 0.000 0.914 269 L HN 0.393 nan 8.230 nan 0.000 0.439 270 I N -2.763 117.756 120.570 -0.084 0.000 2.894 270 I HA 0.631 4.783 4.170 -0.031 0.000 0.302 270 I C -0.728 175.298 176.117 -0.152 0.000 1.188 270 I CA -1.114 60.118 61.300 -0.113 0.000 1.014 270 I CB 2.128 40.074 38.000 -0.090 0.000 1.242 270 I HN -0.293 nan 8.210 nan 0.000 0.430 271 V N 0.171 119.978 119.914 -0.177 0.000 3.141 271 V HA 0.779 4.881 4.120 -0.031 0.000 0.312 271 V C 0.216 176.192 176.094 -0.198 0.000 1.157 271 V CA -0.532 61.645 62.300 -0.206 0.000 1.041 271 V CB 1.387 33.089 31.823 -0.201 0.000 1.071 271 V HN 1.033 nan 8.190 nan 0.000 0.441 272 S N 0.535 116.100 115.700 -0.225 0.000 2.603 272 S HA 0.926 5.377 4.470 -0.031 0.000 0.268 272 S C 0.220 174.741 174.600 -0.132 0.000 1.317 272 S CA 0.297 58.393 58.200 -0.173 0.000 1.012 272 S CB 0.888 63.929 63.200 -0.265 0.000 0.926 272 S HN 2.489 nan 8.310 nan 0.000 0.539 273 G N -0.453 108.146 108.800 -0.335 0.000 2.321 273 G HA2 0.489 4.430 3.960 -0.031 0.000 0.296 273 G HA3 0.489 4.430 3.960 -0.031 0.000 0.296 273 G C -1.164 173.178 174.900 -0.931 0.000 1.287 273 G CA -0.212 44.396 45.100 -0.820 0.000 0.846 273 G HN 1.830 nan 8.290 nan 0.000 0.508 274 V N -2.158 117.168 119.914 -0.980 0.000 2.876 274 V HA 0.923 5.024 4.120 -0.031 0.000 0.312 274 V C -2.572 172.903 176.094 -1.032 0.000 1.085 274 V CA -2.304 59.467 62.300 -0.881 0.000 0.945 274 V CB 2.221 33.727 31.823 -0.528 0.000 1.017 274 V HN 0.777 nan 8.190 nan 0.000 0.428 275 P HA 0.407 nan 4.420 nan 0.000 0.276 275 P C -2.851 174.129 177.300 -0.533 0.000 1.261 275 P CA -1.806 60.491 63.100 -1.338 0.000 0.800 275 P CB -0.196 30.374 31.700 -1.883 0.000 1.066 276 P HA 0.054 nan 4.420 nan 0.000 0.265 276 P C -0.507 176.756 177.300 -0.063 0.000 1.193 276 P CA 0.737 63.770 63.100 -0.111 0.000 0.765 276 P CB -0.147 31.518 31.700 -0.058 0.000 0.823 277 D N 1.722 122.157 120.400 0.058 0.000 2.739 277 D HA 0.410 5.032 4.640 -0.031 0.000 0.335 277 D C 0.266 176.629 176.300 0.104 0.000 1.216 277 D CA -0.926 53.132 54.000 0.097 0.000 0.808 277 D CB -0.408 40.472 40.800 0.133 0.000 1.121 277 D HN 0.350 nan 8.370 nan 0.000 0.499 278 A N -0.136 122.684 122.820 0.001 0.000 2.860 278 A HA -0.216 4.086 4.320 -0.031 0.000 0.267 278 A C -0.532 176.895 177.584 -0.262 0.000 1.421 278 A CA 0.361 52.323 52.037 -0.124 0.000 0.831 278 A CB -2.624 16.267 19.000 -0.182 0.000 1.041 278 A HN 0.435 nan 8.150 nan 0.000 0.623 279 F N -0.320 119.610 119.950 -0.034 0.000 2.402 279 F HA 0.520 5.028 4.527 -0.030 0.000 0.355 279 F C 1.478 177.263 175.800 -0.025 0.000 1.123 279 F CA 0.408 58.392 58.000 -0.027 0.000 1.021 279 F CB 1.842 40.825 39.000 -0.029 0.000 1.160 279 F HN 0.311 nan 8.300 nan 0.000 0.451 280 S N 1.986 117.765 115.700 0.131 0.000 3.295 280 S HA -0.339 4.112 4.470 -0.031 0.000 0.353 280 S C 1.077 175.705 174.600 0.046 0.000 1.155 280 S CA 1.317 59.565 58.200 0.080 0.000 0.996 280 S CB -1.059 62.200 63.200 0.098 0.000 0.932 280 S HN 0.929 nan 8.310 nan 0.000 0.556 281 E N -1.809 118.409 120.200 0.030 0.000 5.003 281 E HA -0.235 4.096 4.350 -0.031 0.000 0.166 281 E C 0.469 177.080 176.600 0.018 0.000 1.244 281 E CA 2.394 58.803 56.400 0.016 0.000 2.281 281 E CB -1.852 27.853 29.700 0.009 0.000 1.825 281 E HN 0.953 nan 8.360 nan 0.000 0.420 282 T N -1.405 113.164 114.554 0.024 0.000 2.882 282 T HA 0.666 4.997 4.350 -0.031 0.000 0.287 282 T C 0.952 175.652 174.700 0.001 0.000 0.992 282 T CA -0.390 61.717 62.100 0.011 0.000 1.076 282 T CB 1.922 70.797 68.868 0.013 0.000 0.961 282 T HN 0.334 nan 8.240 nan 0.000 0.490 283 G N 0.866 109.640 108.800 -0.043 0.000 2.873 283 G HA2 0.422 4.364 3.960 -0.031 0.000 0.170 283 G HA3 0.422 4.364 3.960 -0.031 0.000 0.170 283 G C -0.625 174.221 174.900 -0.090 0.000 1.608 283 G CA -0.527 44.512 45.100 -0.102 0.000 1.084 283 G HN 0.827 nan 8.290 nan 0.000 0.563 284 Q N -0.871 118.827 119.800 -0.170 0.000 2.275 284 Q HA 0.456 4.777 4.340 -0.031 0.000 0.266 284 Q C -1.771 174.085 176.000 -0.240 0.000 1.002 284 Q CA -0.734 54.989 55.803 -0.134 0.000 0.761 284 Q CB 1.897 30.592 28.738 -0.072 0.000 1.255 284 Q HN 0.302 nan 8.270 nan 0.000 0.446 285 L N 5.139 126.320 121.223 -0.070 0.000 2.288 285 L HA 0.296 4.617 4.340 -0.031 0.000 0.283 285 L C -0.245 176.689 176.870 0.106 0.000 1.072 285 L CA 0.040 54.851 54.840 -0.047 0.000 0.862 285 L CB 0.140 42.192 42.059 -0.012 0.000 1.245 285 L HN 0.795 nan 8.230 nan 0.000 0.432 286 W N 3.608 124.893 121.300 -0.026 0.000 2.409 286 W HA 0.219 4.861 4.660 -0.031 0.000 0.299 286 W C 1.732 178.213 176.519 -0.063 0.000 1.203 286 W CA 0.742 58.065 57.345 -0.036 0.000 1.298 286 W CB -0.952 28.493 29.460 -0.024 0.000 1.127 286 W HN 0.778 nan 8.180 nan 0.000 0.528 287 G N -0.314 108.556 108.800 0.117 0.000 2.157 287 G HA2 -0.264 3.677 3.960 -0.031 0.000 0.248 287 G HA3 -0.264 3.677 3.960 -0.031 0.000 0.248 287 G C 0.362 175.211 174.900 -0.085 0.000 0.979 287 G CA 0.360 45.446 45.100 -0.024 0.000 0.650 287 G HN 0.156 nan 8.290 nan 0.000 0.529 288 S N 2.411 118.073 115.700 -0.063 0.000 2.585 288 S HA 0.524 4.975 4.470 -0.031 0.000 0.273 288 S C -1.495 172.946 174.600 -0.264 0.000 1.339 288 S CA -0.541 57.576 58.200 -0.139 0.000 1.028 288 S CB 1.458 64.593 63.200 -0.108 0.000 0.906 288 S HN 0.387 nan 8.310 nan 0.000 0.528 289 P HA 0.187 nan 4.420 nan 0.000 0.270 289 P C -0.947 176.159 177.300 -0.323 0.000 1.223 289 P CA -0.194 62.772 63.100 -0.224 0.000 0.785 289 P CB 0.410 32.011 31.700 -0.165 0.000 0.923 290 L N 1.446 122.510 121.223 -0.264 0.000 2.331 290 L HA 0.392 4.713 4.340 -0.031 0.000 0.275 290 L C 0.280 176.942 176.870 -0.347 0.000 1.022 290 L CA -1.156 53.445 54.840 -0.398 0.000 0.812 290 L CB 0.585 42.514 42.059 -0.217 0.000 1.257 290 L HN 0.283 nan 8.230 nan 0.000 0.435 291 Y N 0.070 120.115 120.300 -0.425 0.000 2.411 291 Y HA 0.023 4.555 4.550 -0.031 0.000 0.333 291 Y C 0.611 176.134 175.900 -0.628 0.000 1.186 291 Y CA -0.430 57.166 58.100 -0.840 0.000 1.381 291 Y CB 0.185 37.758 38.460 -1.478 0.000 1.273 291 Y HN 0.404 nan 8.280 nan 0.000 0.546 292 D N 2.857 123.063 120.400 -0.324 0.000 2.517 292 D HA 0.002 4.623 4.640 -0.031 0.000 0.220 292 D C 0.173 176.446 176.300 -0.044 0.000 1.158 292 D CA -0.073 53.861 54.000 -0.110 0.000 0.992 292 D CB -0.237 40.514 40.800 -0.083 0.000 1.058 292 D HN 0.624 nan 8.370 nan 0.000 0.516 293 W N 2.426 123.801 121.300 0.124 0.000 2.374 293 W HA -0.093 4.548 4.660 -0.031 0.000 0.288 293 W C 2.471 179.045 176.519 0.092 0.000 1.218 293 W CA 0.229 57.668 57.345 0.156 0.000 1.245 293 W CB 0.177 29.776 29.460 0.233 0.000 1.126 293 W HN 0.312 nan 8.180 nan 0.000 0.545 294 K N 0.765 121.346 120.400 0.300 0.000 2.026 294 K HA -0.204 4.097 4.320 -0.031 0.000 0.208 294 K C 2.204 178.831 176.600 0.045 0.000 1.048 294 K CA 1.817 58.195 56.287 0.152 0.000 0.929 294 K CB -0.433 32.145 32.500 0.131 0.000 0.713 294 K HN 0.061 nan 8.250 nan 0.000 0.439 295 A N 1.138 123.971 122.820 0.022 0.000 1.902 295 A HA -0.168 4.133 4.320 -0.031 0.000 0.217 295 A C 2.163 179.690 177.584 -0.095 0.000 1.181 295 A CA 1.796 53.810 52.037 -0.037 0.000 0.623 295 A CB -0.502 18.471 19.000 -0.044 0.000 0.818 295 A HN 0.384 nan 8.150 nan 0.000 0.443 296 M N -1.001 118.542 119.600 -0.096 0.000 2.108 296 M HA -0.163 4.298 4.480 -0.031 0.000 0.261 296 M C 2.225 178.185 176.300 -0.567 0.000 1.066 296 M CA 1.746 56.943 55.300 -0.172 0.000 1.107 296 M CB -0.373 32.265 32.600 0.063 0.000 1.356 296 M HN 0.503 nan 8.290 nan 0.000 0.406 297 E N 0.996 120.784 120.200 -0.687 0.000 2.160 297 E HA -0.204 4.127 4.350 -0.031 0.000 0.195 297 E C 1.682 178.008 176.600 -0.457 0.000 0.991 297 E CA 1.188 57.023 56.400 -0.941 0.000 0.810 297 E CB 0.025 29.515 29.700 -0.350 0.000 0.742 297 E HN 0.374 nan 8.360 nan 0.000 0.466 298 K N 0.939 121.187 120.400 -0.253 0.000 2.209 298 K HA -0.159 4.143 4.320 -0.031 0.000 0.204 298 K C 1.259 177.787 176.600 -0.121 0.000 1.048 298 K CA 1.477 57.681 56.287 -0.137 0.000 0.940 298 K CB -0.219 32.232 32.500 -0.083 0.000 0.729 298 K HN 0.270 nan 8.250 nan 0.000 0.451 299 D N -1.230 119.081 120.400 -0.148 0.000 2.463 299 D HA 0.134 4.756 4.640 -0.031 0.000 0.224 299 D C 0.718 176.981 176.300 -0.063 0.000 1.174 299 D CA 0.100 54.052 54.000 -0.080 0.000 0.829 299 D CB 0.119 40.895 40.800 -0.041 0.000 0.993 299 D HN 0.159 nan 8.370 nan 0.000 0.497 300 G N 0.453 109.173 108.800 -0.133 0.000 2.176 300 G HA2 -0.330 3.612 3.960 -0.031 0.000 0.252 300 G HA3 -0.330 3.612 3.960 -0.031 0.000 0.252 300 G C 0.372 175.371 174.900 0.166 0.000 1.024 300 G CA -0.197 44.903 45.100 -0.001 0.000 0.755 300 G HN 0.362 nan 8.290 nan 0.000 0.507 301 F N -1.165 118.846 119.950 0.101 0.000 3.039 301 F HA -0.288 4.220 4.527 -0.032 0.000 0.287 301 F C 2.051 177.959 175.800 0.180 0.000 0.956 301 F CA 1.504 59.602 58.000 0.163 0.000 0.971 301 F CB -2.319 36.768 39.000 0.146 0.000 0.943 301 F HN 0.820 nan 8.300 nan 0.000 0.766 302 S N -1.122 114.717 115.700 0.232 0.000 2.383 302 S HA -0.282 4.170 4.470 -0.031 0.000 0.229 302 S C 1.708 176.430 174.600 0.204 0.000 1.030 302 S CA 1.276 59.584 58.200 0.180 0.000 1.002 302 S CB -0.643 62.623 63.200 0.110 0.000 0.829 302 S HN 0.711 nan 8.310 nan 0.000 0.467 303 W N 0.819 122.148 121.300 0.048 0.000 2.379 303 W HA 0.049 4.690 4.660 -0.031 0.000 0.307 303 W C 1.872 178.356 176.519 -0.058 0.000 1.200 303 W CA 1.054 58.378 57.345 -0.035 0.000 1.297 303 W CB -0.579 28.812 29.460 -0.116 0.000 1.140 303 W HN 0.307 nan 8.180 nan 0.000 0.507 304 W N -0.110 121.338 121.300 0.247 0.000 2.363 304 W HA -0.194 4.448 4.660 -0.030 0.000 0.296 304 W C 2.389 178.866 176.519 -0.069 0.000 1.212 304 W CA 2.040 59.413 57.345 0.047 0.000 1.260 304 W CB -0.812 28.744 29.460 0.160 0.000 1.131 304 W HN -0.337 nan 8.180 nan 0.000 0.530 305 V N 0.539 120.590 119.914 0.227 0.000 2.287 305 V HA -0.339 3.762 4.120 -0.031 0.000 0.248 305 V C 2.326 178.425 176.094 0.008 0.000 1.053 305 V CA 1.976 64.350 62.300 0.124 0.000 1.027 305 V CB -0.734 31.168 31.823 0.131 0.000 0.646 305 V HN 0.166 nan 8.190 nan 0.000 0.447 306 R N -0.534 119.918 120.500 -0.080 0.000 2.081 306 R HA -0.160 4.162 4.340 -0.031 0.000 0.235 306 R C 2.524 178.657 176.300 -0.279 0.000 1.131 306 R CA 1.564 57.576 56.100 -0.147 0.000 0.960 306 R CB -0.412 29.788 30.300 -0.167 0.000 0.856 306 R HN 0.430 nan 8.270 nan 0.000 0.436 307 R N 0.837 121.031 120.500 -0.510 0.000 2.091 307 R HA -0.126 4.195 4.340 -0.031 0.000 0.238 307 R C 2.135 178.231 176.300 -0.339 0.000 1.136 307 R CA 1.346 57.073 56.100 -0.621 0.000 0.959 307 R CB -0.067 29.600 30.300 -1.055 0.000 0.856 307 R HN 0.110 nan 8.270 nan 0.000 0.437 308 I N 1.220 121.717 120.570 -0.121 0.000 2.252 308 I HA -0.262 3.890 4.170 -0.031 0.000 0.245 308 I C 2.588 178.711 176.117 0.010 0.000 1.102 308 I CA 1.206 62.526 61.300 0.034 0.000 1.385 308 I CB -1.386 36.756 38.000 0.236 0.000 1.064 308 I HN 0.403 nan 8.210 nan 0.000 0.414 309 Q N 1.570 121.368 119.800 -0.003 0.000 2.077 309 Q HA -0.270 4.051 4.340 -0.031 0.000 0.206 309 Q C 2.330 178.321 176.000 -0.016 0.000 0.989 309 Q CA 2.037 57.853 55.803 0.022 0.000 0.853 309 Q CB -0.261 28.494 28.738 0.029 0.000 0.907 309 Q HN 0.321 nan 8.270 nan 0.000 0.418 310 R N 0.419 120.852 120.500 -0.110 0.000 2.075 310 R HA -0.022 4.300 4.340 -0.031 0.000 0.232 310 R C 2.124 178.272 176.300 -0.253 0.000 1.126 310 R CA 1.868 57.856 56.100 -0.186 0.000 0.963 310 R CB -1.014 29.029 30.300 -0.428 0.000 0.858 310 R HN 0.267 nan 8.270 nan 0.000 0.435 311 A N -0.366 122.274 122.820 -0.300 0.000 1.940 311 A HA -0.187 4.114 4.320 -0.031 0.000 0.219 311 A C 2.215 179.728 177.584 -0.118 0.000 1.176 311 A CA 2.272 54.097 52.037 -0.354 0.000 0.631 311 A CB -1.284 17.249 19.000 -0.779 0.000 0.814 311 A HN 0.658 nan 8.150 nan 0.000 0.446 312 T N -2.905 111.678 114.554 0.049 0.000 2.995 312 T HA -0.098 4.233 4.350 -0.031 0.000 0.269 312 T C 1.453 176.217 174.700 0.107 0.000 1.091 312 T CA 1.502 63.718 62.100 0.193 0.000 1.128 312 T CB -0.334 68.671 68.868 0.227 0.000 0.891 312 T HN 0.392 nan 8.240 nan 0.000 0.492 313 D N 1.056 121.476 120.400 0.034 0.000 2.178 313 D HA -0.004 4.617 4.640 -0.031 0.000 0.201 313 D C 1.834 178.154 176.300 0.033 0.000 0.980 313 D CA 0.853 54.888 54.000 0.057 0.000 0.842 313 D CB -0.266 40.580 40.800 0.078 0.000 0.948 313 D HN 0.459 nan 8.370 nan 0.000 0.472 314 L N -1.490 119.624 121.223 -0.183 0.000 2.316 314 L HA 0.181 4.503 4.340 -0.031 0.000 0.207 314 L C -0.022 176.734 176.870 -0.191 0.000 1.070 314 L CA 0.100 54.714 54.840 -0.376 0.000 0.820 314 L CB 0.113 41.393 42.059 -1.298 0.000 0.992 314 L HN -0.103 nan 8.230 nan 0.000 0.466 315 F N -1.079 119.032 119.950 0.268 0.000 2.563 315 F HA 0.289 4.799 4.527 -0.028 0.000 0.316 315 F C 0.980 176.948 175.800 0.279 0.000 1.076 315 F CA -1.374 56.803 58.000 0.295 0.000 0.921 315 F CB 0.737 39.905 39.000 0.279 0.000 1.209 315 F HN -0.190 nan 8.300 nan 0.000 0.462 316 D N 0.441 121.105 120.400 0.440 0.000 2.149 316 D HA -0.058 4.564 4.640 -0.031 0.000 0.201 316 D C 0.309 176.770 176.300 0.267 0.000 0.972 316 D CA 1.356 55.531 54.000 0.291 0.000 0.835 316 D CB 0.503 41.434 40.800 0.218 0.000 0.966 316 D HN 0.759 nan 8.370 nan 0.000 0.476 317 E N -0.422 119.958 120.200 0.301 0.000 2.445 317 E HA 0.478 4.810 4.350 -0.031 0.000 0.279 317 E C -1.206 175.524 176.600 0.216 0.000 1.018 317 E CA -0.945 55.531 56.400 0.127 0.000 0.816 317 E CB 1.846 31.558 29.700 0.020 0.000 1.356 317 E HN -0.022 nan 8.360 nan 0.000 0.462 318 F N -1.642 118.355 119.950 0.078 0.000 2.703 318 F HA 0.580 5.089 4.527 -0.030 0.000 0.308 318 F C -1.050 174.787 175.800 0.063 0.000 1.126 318 F CA -1.238 56.765 58.000 0.005 0.000 0.959 318 F CB 1.381 40.384 39.000 0.006 0.000 1.297 318 F HN 0.531 nan 8.300 nan 0.000 0.441 319 R N 2.221 122.865 120.500 0.239 0.000 2.459 319 R HA 0.750 5.072 4.340 -0.031 0.000 0.281 319 R C -1.324 175.211 176.300 0.392 0.000 1.050 319 R CA -0.556 55.682 56.100 0.230 0.000 1.055 319 R CB 0.937 31.349 30.300 0.187 0.000 1.045 319 R HN 0.849 nan 8.270 nan 0.000 0.495 320 I N 3.887 124.711 120.570 0.423 0.000 2.355 320 I HA 0.171 4.323 4.170 -0.031 0.000 0.288 320 I C -0.426 175.941 176.117 0.415 0.000 0.999 320 I CA -0.821 60.792 61.300 0.522 0.000 1.163 320 I CB 1.678 40.139 38.000 0.770 0.000 1.316 320 I HN 0.518 nan 8.210 nan 0.000 0.454 321 D N 4.828 125.425 120.400 0.329 0.000 2.382 321 D HA 0.040 4.661 4.640 -0.031 0.000 0.245 321 D C 0.501 176.968 176.300 0.277 0.000 1.120 321 D CA 0.333 54.485 54.000 0.253 0.000 0.890 321 D CB 0.501 41.407 40.800 0.177 0.000 1.201 321 D HN 0.590 nan 8.370 nan 0.000 0.433 322 H N 0.521 119.682 119.070 0.152 0.000 2.756 322 H HA -0.253 4.284 4.556 -0.031 0.000 0.315 322 H C 0.647 176.045 175.328 0.117 0.000 1.210 322 H CA 0.015 56.164 56.048 0.169 0.000 1.150 322 H CB -1.849 28.017 29.762 0.174 0.000 1.463 322 H HN 0.503 nan 8.280 nan 0.000 0.427 323 F N 1.492 121.453 119.950 0.017 0.000 2.250 323 F HA -0.225 4.283 4.527 -0.031 0.000 0.301 323 F C 2.409 178.198 175.800 -0.019 0.000 1.077 323 F CA 1.857 59.903 58.000 0.078 0.000 1.348 323 F CB -0.068 39.046 39.000 0.191 0.000 1.040 323 F HN 0.474 nan 8.300 nan 0.000 0.509 324 R N 0.631 121.115 120.500 -0.027 0.000 2.170 324 R HA -0.083 4.238 4.340 -0.031 0.000 0.242 324 R C 2.219 178.424 176.300 -0.157 0.000 1.145 324 R CA 1.636 57.681 56.100 -0.091 0.000 0.984 324 R CB -2.076 28.164 30.300 -0.101 0.000 0.869 324 R HN 0.248 nan 8.270 nan 0.000 0.455 325 G N -0.292 108.326 108.800 -0.303 0.000 2.479 325 G HA2 -0.216 3.726 3.960 -0.031 0.000 0.220 325 G HA3 -0.216 3.726 3.960 -0.031 0.000 0.220 325 G C 0.759 175.578 174.900 -0.136 0.000 1.115 325 G CA 0.658 45.737 45.100 -0.036 0.000 0.757 325 G HN 0.365 nan 8.290 nan 0.000 0.560 326 F N 1.114 120.921 119.950 -0.239 0.000 2.456 326 F HA 0.275 4.783 4.527 -0.031 0.000 0.298 326 F C 2.670 178.285 175.800 -0.307 0.000 1.104 326 F CA 0.353 58.088 58.000 -0.442 0.000 1.435 326 F CB -0.159 38.468 39.000 -0.622 0.000 1.078 326 F HN 0.246 nan 8.300 nan 0.000 0.546 327 A N -0.499 122.310 122.820 -0.017 0.000 1.887 327 A HA 0.553 4.854 4.320 -0.031 0.000 0.210 327 A C 1.385 179.016 177.584 0.080 0.000 1.221 327 A CA 0.984 53.027 52.037 0.010 0.000 0.635 327 A CB -0.715 18.287 19.000 0.004 0.000 0.881 327 A HN 0.267 nan 8.150 nan 0.000 0.456 328 G N -0.918 107.981 108.800 0.165 0.000 2.746 328 G HA2 0.547 4.489 3.960 -0.031 0.000 0.297 328 G HA3 0.547 4.489 3.960 -0.031 0.000 0.297 328 G C -0.945 174.337 174.900 0.636 0.000 1.426 328 G CA -0.414 44.863 45.100 0.294 0.000 0.989 328 G HN 0.763 nan 8.290 nan 0.000 0.520 329 F N -0.292 120.016 119.950 0.596 0.000 2.565 329 F HA 0.742 5.251 4.527 -0.030 0.000 0.313 329 F C -0.576 175.428 175.800 0.340 0.000 1.091 329 F CA -2.101 56.249 58.000 0.584 0.000 0.915 329 F CB 1.723 41.046 39.000 0.538 0.000 1.208 329 F HN 0.550 nan 8.300 nan 0.000 0.453 330 W N 4.049 125.250 121.300 -0.165 0.000 2.322 330 W HA 0.713 5.355 4.660 -0.031 0.000 0.307 330 W C -1.511 174.860 176.519 -0.247 0.000 1.220 330 W CA -0.829 56.112 57.345 -0.672 0.000 1.210 330 W CB 1.630 30.465 29.460 -1.042 0.000 1.223 330 W HN 0.907 nan 8.180 nan 0.000 0.511 331 A N 6.101 128.465 122.820 -0.761 0.000 2.319 331 A HA 0.609 4.911 4.320 -0.031 0.000 0.310 331 A C -1.539 175.615 177.584 -0.716 0.000 1.152 331 A CA -0.569 51.174 52.037 -0.491 0.000 0.783 331 A CB 1.409 20.256 19.000 -0.255 0.000 1.184 331 A HN 0.346 nan 8.150 nan 0.000 0.474 332 V N 4.225 123.860 119.914 -0.465 0.000 2.417 332 V HA 0.358 4.459 4.120 -0.031 0.000 0.291 332 V C -2.379 173.579 176.094 -0.227 0.000 1.024 332 V CA -1.960 60.124 62.300 -0.360 0.000 0.861 332 V CB 1.544 33.238 31.823 -0.214 0.000 0.985 332 V HN 0.762 nan 8.190 nan 0.000 0.436 333 P HA 0.011 nan 4.420 nan 0.000 0.262 333 P C 0.951 178.193 177.300 -0.096 0.000 1.182 333 P CA 0.313 63.338 63.100 -0.126 0.000 0.761 333 P CB 0.547 32.183 31.700 -0.107 0.000 0.795 334 S N 2.710 118.369 115.700 -0.069 0.000 2.474 334 S HA -0.176 4.275 4.470 -0.031 0.000 0.235 334 S C 1.422 176.021 174.600 -0.002 0.000 0.997 334 S CA 0.770 58.942 58.200 -0.047 0.000 0.949 334 S CB -0.730 62.455 63.200 -0.024 0.000 0.766 334 S HN 0.587 nan 8.310 nan 0.000 0.517 335 E N 1.696 121.884 120.200 -0.019 0.000 2.204 335 E HA -0.088 4.244 4.350 -0.031 0.000 0.194 335 E C 0.051 176.625 176.600 -0.043 0.000 0.989 335 E CA 0.536 56.913 56.400 -0.039 0.000 0.824 335 E CB -0.516 29.151 29.700 -0.054 0.000 0.756 335 E HN 0.533 nan 8.360 nan 0.000 0.477 336 E N 1.426 121.597 120.200 -0.048 0.000 2.383 336 E HA 0.100 4.432 4.350 -0.031 0.000 0.264 336 E C 0.454 177.032 176.600 -0.036 0.000 1.050 336 E CA 0.017 56.391 56.400 -0.043 0.000 0.896 336 E CB 0.944 30.615 29.700 -0.049 0.000 0.982 336 E HN 0.195 nan 8.360 nan 0.000 0.424 337 K N 1.127 121.511 120.400 -0.026 0.000 2.353 337 K HA 0.227 4.529 4.320 -0.031 0.000 0.195 337 K C 0.813 177.406 176.600 -0.012 0.000 1.031 337 K CA 0.265 56.540 56.287 -0.020 0.000 1.079 337 K CB 0.186 32.675 32.500 -0.017 0.000 0.857 337 K HN 0.468 nan 8.250 nan 0.000 0.535 338 I N -4.957 115.608 120.570 -0.009 0.000 3.174 338 I HA 0.486 4.637 4.170 -0.031 0.000 0.313 338 I C 0.348 176.473 176.117 0.013 0.000 1.155 338 I CA -1.019 60.282 61.300 0.001 0.000 0.977 338 I CB 1.904 39.908 38.000 0.007 0.000 1.248 338 I HN -0.301 nan 8.210 nan 0.000 0.453 339 A N 1.861 124.699 122.820 0.030 0.000 2.178 339 A HA 0.165 4.466 4.320 -0.031 0.000 0.211 339 A C 1.929 179.648 177.584 0.224 0.000 1.157 339 A CA 0.279 52.383 52.037 0.110 0.000 0.780 339 A CB -0.476 18.544 19.000 0.033 0.000 0.828 339 A HN 0.707 nan 8.150 nan 0.000 0.476 340 I N -0.169 120.472 120.570 0.119 0.000 2.091 340 I HA -0.221 3.930 4.170 -0.031 0.000 0.240 340 I C 1.324 177.569 176.117 0.213 0.000 1.046 340 I CA 1.212 62.593 61.300 0.136 0.000 1.306 340 I CB -1.200 36.838 38.000 0.064 0.000 1.018 340 I HN 0.304 nan 8.210 nan 0.000 0.404 341 L N 1.205 122.487 121.223 0.098 0.000 2.342 341 L HA 0.450 4.771 4.340 -0.031 0.000 0.285 341 L C 0.207 177.009 176.870 -0.113 0.000 1.095 341 L CA 0.034 54.882 54.840 0.013 0.000 0.843 341 L CB 0.181 42.223 42.059 -0.028 0.000 1.201 341 L HN 0.289 nan 8.230 nan 0.000 0.445 342 G N 4.543 113.169 108.800 -0.290 0.000 2.495 342 G HA2 0.534 4.476 3.960 -0.031 0.000 0.294 342 G HA3 0.534 4.476 3.960 -0.031 0.000 0.294 342 G C -1.902 172.285 174.900 -1.188 0.000 1.397 342 G CA -0.784 43.742 45.100 -0.957 0.000 0.790 342 G HN 0.290 nan 8.290 nan 0.000 0.486 343 R N -1.111 118.562 120.500 -1.379 0.000 2.698 343 R HA 0.350 4.671 4.340 -0.031 0.000 0.275 343 R C -1.496 174.372 176.300 -0.721 0.000 1.001 343 R CA -0.765 54.865 56.100 -0.784 0.000 0.896 343 R CB 1.637 31.725 30.300 -0.353 0.000 1.218 343 R HN 0.598 nan 8.270 nan 0.000 0.462 344 W N 2.892 124.131 121.300 -0.102 0.000 2.253 344 W HA 0.250 4.891 4.660 -0.031 0.000 0.322 344 W C 0.686 177.071 176.519 -0.222 0.000 1.342 344 W CA 0.070 57.406 57.345 -0.016 0.000 1.218 344 W CB 0.678 30.214 29.460 0.128 0.000 1.205 344 W HN -0.065 nan 8.180 nan 0.000 0.551 345 K N 2.622 122.885 120.400 -0.227 0.000 2.267 345 K HA 0.456 4.758 4.320 -0.031 0.000 0.246 345 K C -0.842 175.559 176.600 -0.333 0.000 0.954 345 K CA -1.191 54.821 56.287 -0.458 0.000 0.824 345 K CB 1.820 33.720 32.500 -1.000 0.000 1.167 345 K HN 0.127 nan 8.250 nan 0.000 0.431 346 V N 2.051 121.907 119.914 -0.096 0.000 2.479 346 V HA 0.115 4.217 4.120 -0.031 0.000 0.281 346 V C 1.126 177.337 176.094 0.194 0.000 1.031 346 V CA -0.128 62.200 62.300 0.047 0.000 1.038 346 V CB 0.471 32.329 31.823 0.058 0.000 0.981 346 V HN 0.871 nan 8.190 nan 0.000 0.478 347 G N 5.983 114.902 108.800 0.199 0.000 2.616 347 G HA2 0.368 4.309 3.960 -0.031 0.000 0.268 347 G HA3 0.368 4.309 3.960 -0.031 0.000 0.268 347 G C -0.970 173.831 174.900 -0.166 0.000 1.213 347 G CA -0.772 44.394 45.100 0.109 0.000 0.926 347 G HN 0.592 nan 8.290 nan 0.000 0.523 348 P HA 0.024 nan 4.420 nan 0.000 0.221 348 P C 1.338 178.472 177.300 -0.277 0.000 1.150 348 P CA 1.369 64.198 63.100 -0.451 0.000 0.800 348 P CB -0.012 31.103 31.700 -0.974 0.000 0.787 349 G N 1.067 109.705 108.800 -0.271 0.000 2.601 349 G HA2 -0.353 3.589 3.960 -0.031 0.000 0.261 349 G HA3 -0.353 3.589 3.960 -0.031 0.000 0.261 349 G C 0.866 175.698 174.900 -0.112 0.000 1.289 349 G CA 0.463 45.485 45.100 -0.130 0.000 0.920 349 G HN 0.344 nan 8.290 nan 0.000 0.571 350 K N 0.926 121.316 120.400 -0.017 0.000 2.103 350 K HA -0.064 4.237 4.320 -0.031 0.000 0.207 350 K C -0.042 176.539 176.600 -0.032 0.000 1.048 350 K CA 1.975 58.288 56.287 0.043 0.000 0.930 350 K CB -0.813 31.698 32.500 0.019 0.000 0.716 350 K HN 0.328 nan 8.250 nan 0.000 0.444 351 P HA -0.196 nan 4.420 nan 0.000 0.217 351 P C 1.153 178.251 177.300 -0.337 0.000 1.148 351 P CA 0.905 63.971 63.100 -0.056 0.000 0.828 351 P CB 0.018 31.779 31.700 0.103 0.000 0.783 352 L N -1.529 119.181 121.223 -0.854 0.000 2.017 352 L HA -0.128 4.194 4.340 -0.031 0.000 0.208 352 L C 2.024 178.321 176.870 -0.956 0.000 1.073 352 L CA 1.975 55.884 54.840 -1.551 0.000 0.745 352 L CB -1.395 39.586 42.059 -1.795 0.000 0.894 352 L HN -0.145 nan 8.230 nan 0.000 0.432 353 F N 0.026 119.683 119.950 -0.487 0.000 2.259 353 F HA -0.112 4.397 4.527 -0.030 0.000 0.298 353 F C 2.231 177.932 175.800 -0.166 0.000 1.088 353 F CA 1.107 58.927 58.000 -0.300 0.000 1.358 353 F CB -0.801 38.040 39.000 -0.266 0.000 1.040 353 F HN 0.156 nan 8.300 nan 0.000 0.505 354 D N 0.421 120.821 120.400 0.001 0.000 2.117 354 D HA -0.167 4.454 4.640 -0.031 0.000 0.197 354 D C 2.373 178.687 176.300 0.025 0.000 0.987 354 D CA 1.532 55.545 54.000 0.021 0.000 0.829 354 D CB -0.620 40.197 40.800 0.029 0.000 0.961 354 D HN 0.244 nan 8.370 nan 0.000 0.460 355 A N 0.490 123.313 122.820 0.004 0.000 1.930 355 A HA -0.098 4.203 4.320 -0.031 0.000 0.217 355 A C 2.378 179.995 177.584 0.056 0.000 1.175 355 A CA 0.746 52.832 52.037 0.081 0.000 0.627 355 A CB -0.646 18.497 19.000 0.238 0.000 0.815 355 A HN 0.177 nan 8.150 nan 0.000 0.443 356 I N -0.798 119.765 120.570 -0.010 0.000 2.179 356 I HA -0.245 3.907 4.170 -0.031 0.000 0.242 356 I C 2.441 178.596 176.117 0.065 0.000 1.088 356 I CA 1.326 62.645 61.300 0.031 0.000 1.357 356 I CB -0.295 37.705 38.000 0.000 0.000 1.051 356 I HN 0.411 nan 8.210 nan 0.000 0.409 357 L N 0.753 122.012 121.223 0.060 0.000 2.012 357 L HA -0.279 4.042 4.340 -0.031 0.000 0.210 357 L C 2.520 179.425 176.870 0.057 0.000 1.073 357 L CA 1.997 56.873 54.840 0.061 0.000 0.748 357 L CB -0.734 41.357 42.059 0.053 0.000 0.891 357 L HN 0.214 nan 8.230 nan 0.000 0.431 358 Q N -0.406 119.428 119.800 0.056 0.000 2.084 358 Q HA -0.130 4.191 4.340 -0.031 0.000 0.202 358 Q C 2.032 178.066 176.000 0.058 0.000 0.978 358 Q CA 2.253 58.089 55.803 0.055 0.000 0.844 358 Q CB -0.365 28.408 28.738 0.059 0.000 0.898 358 Q HN 0.631 nan 8.270 nan 0.000 0.426 359 A N -1.348 121.512 122.820 0.067 0.000 1.943 359 A HA 0.084 4.386 4.320 -0.031 0.000 0.213 359 A C 1.882 179.507 177.584 0.068 0.000 1.181 359 A CA 1.238 53.315 52.037 0.068 0.000 0.653 359 A CB 0.152 19.199 19.000 0.079 0.000 0.833 359 A HN 0.241 nan 8.150 nan 0.000 0.451 360 V N -1.695 118.265 119.914 0.076 0.000 3.635 360 V HA 0.441 4.542 4.120 -0.031 0.000 0.266 360 V C 1.261 177.403 176.094 0.081 0.000 1.316 360 V CA 0.588 62.939 62.300 0.084 0.000 1.060 360 V CB -0.637 31.250 31.823 0.107 0.000 0.820 360 V HN 1.135 nan 8.190 nan 0.000 0.447 361 G N 1.526 110.369 108.800 0.072 0.000 2.660 361 G HA2 -0.222 3.719 3.960 -0.031 0.000 0.215 361 G HA3 -0.222 3.719 3.960 -0.031 0.000 0.215 361 G C -0.327 174.613 174.900 0.066 0.000 1.345 361 G CA -0.050 45.088 45.100 0.063 0.000 0.877 361 G HN 0.578 nan 8.290 nan 0.000 0.549 362 K N -0.174 120.258 120.400 0.053 0.000 2.350 362 K HA 0.636 4.938 4.320 -0.031 0.000 0.279 362 K C -0.196 176.432 176.600 0.048 0.000 1.027 362 K CA -0.024 56.288 56.287 0.041 0.000 0.969 362 K CB 0.269 32.784 32.500 0.026 0.000 0.954 362 K HN 0.631 nan 8.250 nan 0.000 0.474 363 I N 3.268 123.855 120.570 0.029 0.000 2.619 363 I HA 0.206 4.357 4.170 -0.031 0.000 0.292 363 I C -0.770 175.295 176.117 -0.085 0.000 1.100 363 I CA -1.051 60.250 61.300 0.003 0.000 1.043 363 I CB 2.062 40.088 38.000 0.042 0.000 1.239 363 I HN 0.617 nan 8.210 nan 0.000 0.420 364 N N 6.374 125.004 118.700 -0.116 0.000 2.415 364 N HA 0.377 5.099 4.740 -0.031 0.000 0.250 364 N C -1.062 174.254 175.510 -0.323 0.000 1.127 364 N CA 0.100 53.054 53.050 -0.161 0.000 0.945 364 N CB 0.224 38.655 38.487 -0.094 0.000 1.196 364 N HN 0.442 nan 8.380 nan 0.000 0.499 365 I N 3.737 124.111 120.570 -0.327 0.000 2.359 365 I HA 0.293 4.444 4.170 -0.031 0.000 0.294 365 I C -0.095 175.878 176.117 -0.239 0.000 0.987 365 I CA -0.904 60.162 61.300 -0.389 0.000 1.225 365 I CB 1.079 38.947 38.000 -0.220 0.000 1.366 365 I HN 0.311 nan 8.210 nan 0.000 0.466 366 I N 5.865 126.336 120.570 -0.165 0.000 2.359 366 I HA 0.372 4.523 4.170 -0.031 0.000 0.294 366 I C 0.430 176.484 176.117 -0.104 0.000 0.987 366 I CA -0.018 61.213 61.300 -0.116 0.000 1.225 366 I CB 1.604 39.591 38.000 -0.021 0.000 1.366 366 I HN 0.558 nan 8.210 nan 0.000 0.466 367 A N 5.681 128.331 122.820 -0.283 0.000 2.279 367 A HA 0.297 4.599 4.320 -0.031 0.000 0.306 367 A C 0.185 177.708 177.584 -0.101 0.000 1.300 367 A CA -0.471 51.311 52.037 -0.425 0.000 0.925 367 A CB 0.075 18.343 19.000 -1.220 0.000 1.152 367 A HN 0.658 nan 8.150 nan 0.000 0.544 368 E N 2.923 123.186 120.200 0.104 0.000 2.265 368 E HA 0.049 4.380 4.350 -0.031 0.000 0.272 368 E C -0.908 175.774 176.600 0.137 0.000 1.067 368 E CA 0.086 56.562 56.400 0.127 0.000 0.900 368 E CB 0.556 30.357 29.700 0.168 0.000 1.017 368 E HN 0.646 nan 8.360 nan 0.000 0.431 369 D N 4.679 125.131 120.400 0.087 0.000 2.819 369 D HA 0.146 4.768 4.640 -0.031 0.000 0.326 369 D C 0.237 176.589 176.300 0.087 0.000 1.408 369 D CA -0.366 53.684 54.000 0.083 0.000 0.811 369 D CB -0.606 40.206 40.800 0.020 0.000 1.148 369 D HN 0.219 nan 8.370 nan 0.000 0.457 370 L N 0.303 121.593 121.223 0.111 0.000 2.468 370 L HA 0.627 4.949 4.340 -0.031 0.000 0.254 370 L C 1.481 178.390 176.870 0.065 0.000 1.171 370 L CA 0.361 55.263 54.840 0.104 0.000 0.809 370 L CB 0.384 42.499 42.059 0.094 0.000 1.155 370 L HN 0.373 nan 8.230 nan 0.000 0.473 371 G N -0.145 108.655 108.800 -0.001 0.000 2.741 371 G HA2 -0.192 3.749 3.960 -0.031 0.000 0.222 371 G HA3 -0.192 3.749 3.960 -0.031 0.000 0.222 371 G C -0.624 174.290 174.900 0.023 0.000 1.364 371 G CA -0.595 44.497 45.100 -0.013 0.000 0.866 371 G HN 0.535 nan 8.290 nan 0.000 0.555 372 V N 1.028 120.963 119.914 0.035 0.000 2.446 372 V HA 0.453 4.555 4.120 -0.031 0.000 0.276 372 V C 1.169 177.278 176.094 0.024 0.000 1.030 372 V CA 0.915 63.232 62.300 0.028 0.000 1.033 372 V CB -0.246 31.599 31.823 0.036 0.000 0.993 372 V HN 1.033 nan 8.190 nan 0.000 0.477 373 I N 2.090 122.658 120.570 -0.004 0.000 2.846 373 I HA 0.895 5.046 4.170 -0.031 0.000 0.307 373 I C 0.271 176.346 176.117 -0.069 0.000 1.053 373 I CA -0.599 60.685 61.300 -0.027 0.000 1.050 373 I CB 2.568 40.570 38.000 0.004 0.000 1.239 373 I HN 0.559 nan 8.210 nan 0.000 0.439 374 T N -0.923 113.565 114.554 -0.110 0.000 2.936 374 T HA 0.313 4.645 4.350 -0.031 0.000 0.282 374 T C 0.712 175.363 174.700 -0.081 0.000 1.003 374 T CA -0.241 61.783 62.100 -0.127 0.000 1.005 374 T CB 1.935 70.674 68.868 -0.215 0.000 1.097 374 T HN 0.835 nan 8.240 nan 0.000 0.532 375 E N 0.952 121.108 120.200 -0.074 0.000 2.118 375 E HA -0.217 4.114 4.350 -0.031 0.000 0.195 375 E C 1.651 178.228 176.600 -0.040 0.000 0.992 375 E CA 2.053 58.423 56.400 -0.050 0.000 0.804 375 E CB -0.527 29.145 29.700 -0.046 0.000 0.741 375 E HN 0.775 nan 8.360 nan 0.000 0.458 376 D N -0.060 120.310 120.400 -0.049 0.000 2.218 376 D HA -0.146 4.476 4.640 -0.031 0.000 0.204 376 D C 1.924 178.222 176.300 -0.005 0.000 0.976 376 D CA 1.160 55.142 54.000 -0.031 0.000 0.853 376 D CB -0.502 40.273 40.800 -0.042 0.000 0.939 376 D HN 0.276 nan 8.370 nan 0.000 0.481 377 V N 0.833 120.745 119.914 -0.002 0.000 2.358 377 V HA -0.198 3.903 4.120 -0.031 0.000 0.246 377 V C 2.919 179.062 176.094 0.082 0.000 1.047 377 V CA 1.169 63.506 62.300 0.063 0.000 1.035 377 V CB -0.331 31.526 31.823 0.055 0.000 0.658 377 V HN 0.109 nan 8.190 nan 0.000 0.452 378 V N -0.496 119.431 119.914 0.021 0.000 2.343 378 V HA -0.251 3.850 4.120 -0.031 0.000 0.247 378 V C 2.590 178.679 176.094 -0.009 0.000 1.051 378 V CA 1.679 63.976 62.300 -0.005 0.000 1.036 378 V CB -0.727 31.079 31.823 -0.027 0.000 0.654 378 V HN 0.471 nan 8.190 nan 0.000 0.451 379 Q N -0.553 119.243 119.800 -0.006 0.000 2.119 379 Q HA -0.128 4.194 4.340 -0.031 0.000 0.201 379 Q C 2.157 178.155 176.000 -0.004 0.000 0.972 379 Q CA 1.396 57.192 55.803 -0.012 0.000 0.847 379 Q CB -0.743 27.987 28.738 -0.014 0.000 0.903 379 Q HN 0.580 nan 8.270 nan 0.000 0.433 380 L N 0.904 122.144 121.223 0.028 0.000 1.994 380 L HA -0.145 4.176 4.340 -0.031 0.000 0.208 380 L C 2.448 179.343 176.870 0.042 0.000 1.071 380 L CA 1.908 56.775 54.840 0.046 0.000 0.745 380 L CB -0.550 41.562 42.059 0.088 0.000 0.892 380 L HN 0.094 nan 8.230 nan 0.000 0.431 381 R N -0.283 120.271 120.500 0.089 0.000 2.094 381 R HA -0.223 4.098 4.340 -0.031 0.000 0.239 381 R C 2.365 178.576 176.300 -0.150 0.000 1.137 381 R CA 2.158 58.198 56.100 -0.100 0.000 0.943 381 R CB -0.211 29.973 30.300 -0.193 0.000 0.850 381 R HN 0.389 nan 8.270 nan 0.000 0.433 382 K N 0.051 120.393 120.400 -0.096 0.000 2.097 382 K HA -0.119 4.183 4.320 -0.031 0.000 0.206 382 K C 2.147 178.696 176.600 -0.084 0.000 1.049 382 K CA 1.764 57.997 56.287 -0.090 0.000 0.933 382 K CB -0.110 32.352 32.500 -0.062 0.000 0.717 382 K HN 0.314 nan 8.250 nan 0.000 0.442 383 S N 1.366 117.022 115.700 -0.072 0.000 2.423 383 S HA -0.118 4.334 4.470 -0.031 0.000 0.231 383 S C 1.818 176.365 174.600 -0.088 0.000 1.014 383 S CA 1.110 59.272 58.200 -0.064 0.000 0.965 383 S CB -0.594 62.579 63.200 -0.044 0.000 0.785 383 S HN 0.485 nan 8.310 nan 0.000 0.495 384 I N -2.149 118.334 120.570 -0.144 0.000 3.976 384 I HA 0.416 4.568 4.170 -0.031 0.000 0.337 384 I C -0.038 175.974 176.117 -0.175 0.000 1.359 384 I CA -0.252 60.938 61.300 -0.184 0.000 1.098 384 I CB -0.540 37.247 38.000 -0.355 0.000 1.027 384 I HN 0.058 nan 8.210 nan 0.000 0.394 385 E N 0.889 120.999 120.200 -0.150 0.000 2.586 385 E HA -0.216 4.116 4.350 -0.031 0.000 0.259 385 E C 0.364 176.861 176.600 -0.171 0.000 1.107 385 E CA 0.362 56.682 56.400 -0.134 0.000 0.754 385 E CB -1.398 28.244 29.700 -0.096 0.000 1.335 385 E HN 0.749 nan 8.360 nan 0.000 0.411 386 A N 1.495 124.170 122.820 -0.242 0.000 2.328 386 A HA 0.492 4.793 4.320 -0.031 0.000 0.284 386 A C -1.886 175.536 177.584 -0.269 0.000 1.160 386 A CA -1.225 50.635 52.037 -0.295 0.000 0.818 386 A CB 0.440 19.163 19.000 -0.462 0.000 1.087 386 A HN -0.032 nan 8.150 nan 0.000 0.504 387 P HA 0.258 nan 4.420 nan 0.000 0.275 387 P C 0.388 177.567 177.300 -0.201 0.000 1.227 387 P CA 0.280 63.275 63.100 -0.175 0.000 0.781 387 P CB 1.283 32.906 31.700 -0.128 0.000 0.906 388 G N 2.063 110.762 108.800 -0.168 0.000 2.606 388 G HA2 0.640 4.581 3.960 -0.031 0.000 0.262 388 G HA3 0.640 4.581 3.960 -0.031 0.000 0.262 388 G C -0.679 174.183 174.900 -0.063 0.000 1.394 388 G CA -0.889 44.129 45.100 -0.136 0.000 1.044 388 G HN 0.420 nan 8.290 nan 0.000 0.553 389 M N -0.147 119.446 119.600 -0.012 0.000 2.528 389 M HA 0.610 5.072 4.480 -0.031 0.000 0.321 389 M C -0.397 175.930 176.300 0.044 0.000 1.153 389 M CA -0.684 54.659 55.300 0.072 0.000 0.951 389 M CB 2.606 35.297 32.600 0.153 0.000 1.705 389 M HN 0.569 nan 8.290 nan 0.000 0.451 390 A N 2.046 124.892 122.820 0.043 0.000 2.371 390 A HA 0.814 5.115 4.320 -0.031 0.000 0.311 390 A C -1.223 176.488 177.584 0.212 0.000 1.068 390 A CA -0.656 51.437 52.037 0.093 0.000 0.744 390 A CB 1.311 20.070 19.000 -0.402 0.000 1.239 390 A HN 0.593 nan 8.150 nan 0.000 0.435 391 V N 4.465 124.567 119.914 0.314 0.000 2.409 391 V HA 0.191 4.293 4.120 -0.031 0.000 0.290 391 V C 1.001 176.986 176.094 -0.182 0.000 1.017 391 V CA -0.239 62.030 62.300 -0.051 0.000 0.841 391 V CB 1.151 32.807 31.823 -0.277 0.000 1.003 391 V HN 0.954 nan 8.190 nan 0.000 0.426 392 L N 2.472 123.615 121.223 -0.135 0.000 2.131 392 L HA -0.170 4.152 4.340 -0.031 0.000 0.210 392 L C 2.349 179.087 176.870 -0.221 0.000 1.092 392 L CA 1.571 56.347 54.840 -0.105 0.000 0.759 392 L CB -0.185 41.882 42.059 0.013 0.000 0.903 392 L HN 0.723 nan 8.230 nan 0.000 0.435 393 Q N -0.829 118.629 119.800 -0.570 0.000 2.439 393 Q HA -0.143 4.179 4.340 -0.031 0.000 0.211 393 Q C 1.350 177.160 176.000 -0.317 0.000 0.978 393 Q CA 1.016 56.280 55.803 -0.898 0.000 0.897 393 Q CB 0.094 28.018 28.738 -1.356 0.000 0.956 393 Q HN 0.423 nan 8.270 nan 0.000 0.483 394 F N -1.362 118.434 119.950 -0.258 0.000 2.727 394 F HA 0.265 4.773 4.527 -0.031 0.000 0.302 394 F C 1.653 177.355 175.800 -0.164 0.000 1.097 394 F CA -0.307 57.546 58.000 -0.244 0.000 1.330 394 F CB -0.138 38.488 39.000 -0.623 0.000 1.084 394 F HN -0.030 nan 8.300 nan 0.000 0.578 395 A N -1.180 121.585 122.820 -0.092 0.000 2.072 395 A HA 0.065 4.367 4.320 -0.031 0.000 0.216 395 A C 1.295 178.585 177.584 -0.491 0.000 1.156 395 A CA 0.902 52.685 52.037 -0.423 0.000 0.701 395 A CB -0.753 17.677 19.000 -0.951 0.000 0.816 395 A HN 0.268 nan 8.150 nan 0.000 0.458 396 F N -1.360 118.682 119.950 0.154 0.000 2.682 396 F HA 0.294 4.803 4.527 -0.031 0.000 0.308 396 F C 1.927 177.808 175.800 0.136 0.000 1.093 396 F CA 0.258 58.342 58.000 0.139 0.000 1.244 396 F CB 0.397 39.523 39.000 0.211 0.000 1.052 396 F HN 0.211 nan 8.300 nan 0.000 0.573 397 G N -0.609 108.345 108.800 0.258 0.000 3.233 397 G HA2 0.211 4.153 3.960 -0.031 0.000 0.234 397 G HA3 0.211 4.153 3.960 -0.031 0.000 0.234 397 G C 0.848 175.823 174.900 0.124 0.000 1.137 397 G CA 0.697 45.909 45.100 0.187 0.000 0.763 397 G HN 0.346 nan 8.290 nan 0.000 0.549 398 S N 0.200 115.963 115.700 0.106 0.000 3.657 398 S HA 0.518 4.970 4.470 -0.031 0.000 0.183 398 S C -0.118 174.528 174.600 0.077 0.000 0.995 398 S CA 0.455 58.700 58.200 0.076 0.000 1.333 398 S CB 0.875 64.110 63.200 0.059 0.000 1.197 398 S HN 0.204 nan 8.310 nan 0.000 0.856 399 D N -0.176 120.263 120.400 0.066 0.000 2.758 399 D HA 0.708 5.330 4.640 -0.031 0.000 0.279 399 D C 0.573 176.927 176.300 0.091 0.000 1.111 399 D CA -0.276 53.771 54.000 0.079 0.000 1.109 399 D CB 0.690 41.528 40.800 0.063 0.000 1.428 399 D HN 0.555 nan 8.370 nan 0.000 0.586 400 A N -0.919 121.977 122.820 0.126 0.000 2.209 400 A HA -0.016 4.286 4.320 -0.031 0.000 0.212 400 A C 1.166 178.871 177.584 0.202 0.000 1.158 400 A CA 0.907 53.071 52.037 0.211 0.000 0.742 400 A CB -0.649 18.477 19.000 0.211 0.000 0.790 400 A HN 0.462 nan 8.150 nan 0.000 0.472 401 E N 0.386 120.646 120.200 0.101 0.000 2.479 401 E HA 0.024 4.356 4.350 -0.031 0.000 0.193 401 E C 0.397 176.991 176.600 -0.009 0.000 1.049 401 E CA -0.308 56.127 56.400 0.058 0.000 0.870 401 E CB -0.149 29.578 29.700 0.044 0.000 0.944 401 E HN 0.503 nan 8.360 nan 0.000 0.492 402 N N 2.324 121.008 118.700 -0.026 0.000 2.414 402 N HA -0.047 4.675 4.740 -0.031 0.000 0.268 402 N C -1.626 173.802 175.510 -0.137 0.000 1.286 402 N CA -0.898 52.118 53.050 -0.056 0.000 0.896 402 N CB 0.977 39.435 38.487 -0.050 0.000 1.093 402 N HN -0.041 nan 8.380 nan 0.000 0.480 403 P HA -0.109 nan 4.420 nan 0.000 0.225 403 P C 0.478 177.613 177.300 -0.274 0.000 1.148 403 P CA 1.223 64.176 63.100 -0.245 0.000 0.779 403 P CB 0.100 31.616 31.700 -0.308 0.000 0.780 404 H N -0.798 118.234 119.070 -0.064 0.000 2.548 404 H HA 0.173 4.710 4.556 -0.031 0.000 0.268 404 H C 1.077 176.348 175.328 -0.094 0.000 0.975 404 H CA 0.026 56.062 56.048 -0.020 0.000 1.195 404 H CB -0.080 29.665 29.762 -0.028 0.000 1.397 404 H HN 0.199 nan 8.280 nan 0.000 0.572 405 L N 2.192 123.244 121.223 -0.285 0.000 2.416 405 L HA 0.040 4.362 4.340 -0.031 0.000 0.272 405 L C -1.071 175.373 176.870 -0.711 0.000 1.161 405 L CA -1.522 52.952 54.840 -0.609 0.000 0.845 405 L CB 0.690 42.288 42.059 -0.768 0.000 1.119 405 L HN -0.092 nan 8.230 nan 0.000 0.464 406 P HA -0.227 nan 4.420 nan 0.000 0.217 406 P C 1.120 178.115 177.300 -0.509 0.000 1.151 406 P CA 1.648 64.152 63.100 -0.994 0.000 0.849 406 P CB -0.063 31.491 31.700 -0.242 0.000 0.787 407 H N -2.789 116.221 119.070 -0.101 0.000 2.545 407 H HA 0.068 4.606 4.556 -0.031 0.000 0.282 407 H C 1.173 176.480 175.328 -0.035 0.000 1.020 407 H CA 0.968 57.004 56.048 -0.020 0.000 1.243 407 H CB -1.127 28.677 29.762 0.070 0.000 1.377 407 H HN 0.092 nan 8.280 nan 0.000 0.581 408 N N 0.225 118.717 118.700 -0.347 0.000 2.236 408 N HA 0.006 4.727 4.740 -0.031 0.000 0.196 408 N C -0.318 175.198 175.510 0.009 0.000 1.114 408 N CA 0.001 52.959 53.050 -0.152 0.000 0.859 408 N CB 0.059 38.404 38.487 -0.236 0.000 0.982 408 N HN 0.596 nan 8.380 nan 0.000 0.493 409 H N 0.819 119.833 119.070 -0.094 0.000 2.745 409 H HA 0.108 4.645 4.556 -0.030 0.000 0.373 409 H C 0.505 175.804 175.328 -0.047 0.000 1.226 409 H CA -0.092 55.913 56.048 -0.071 0.000 1.435 409 H CB 0.909 30.640 29.762 -0.052 0.000 1.461 409 H HN 0.241 nan 8.280 nan 0.000 0.616 410 E N 0.390 120.634 120.200 0.074 0.000 2.410 410 E HA 0.150 4.482 4.350 -0.031 0.000 0.269 410 E C 0.002 176.604 176.600 0.003 0.000 0.937 410 E CA -0.905 55.509 56.400 0.023 0.000 0.793 410 E CB 1.493 31.185 29.700 -0.013 0.000 1.314 410 E HN 0.615 nan 8.360 nan 0.000 0.447 411 Q N 0.170 119.967 119.800 -0.005 0.000 2.084 411 Q HA -0.121 4.201 4.340 -0.031 0.000 0.202 411 Q C 0.466 176.445 176.000 -0.036 0.000 0.978 411 Q CA 1.341 57.136 55.803 -0.014 0.000 0.844 411 Q CB -0.232 28.499 28.738 -0.012 0.000 0.898 411 Q HN 0.407 nan 8.270 nan 0.000 0.426 412 N N 1.328 119.999 118.700 -0.048 0.000 2.968 412 N HA 0.035 4.756 4.740 -0.031 0.000 0.271 412 N C -1.369 174.090 175.510 -0.086 0.000 1.174 412 N CA 0.227 53.237 53.050 -0.067 0.000 1.096 412 N CB 0.071 38.515 38.487 -0.072 0.000 1.403 412 N HN 0.170 nan 8.380 nan 0.000 0.522 413 Q N 0.655 120.402 119.800 -0.089 0.000 2.578 413 Q HA 0.404 4.726 4.340 -0.031 0.000 0.284 413 Q C -1.924 174.007 176.000 -0.116 0.000 0.960 413 Q CA -0.813 54.924 55.803 -0.110 0.000 0.809 413 Q CB 1.366 30.026 28.738 -0.130 0.000 1.462 413 Q HN 0.099 nan 8.270 nan 0.000 0.392 414 V N 2.047 121.894 119.914 -0.113 0.000 2.409 414 V HA 0.542 4.644 4.120 -0.031 0.000 0.291 414 V C -0.615 175.369 176.094 -0.184 0.000 1.020 414 V CA -0.728 61.483 62.300 -0.149 0.000 0.848 414 V CB 1.400 33.171 31.823 -0.087 0.000 0.990 414 V HN 0.548 nan 8.190 nan 0.000 0.430 415 V N 6.714 126.464 119.914 -0.274 0.000 2.435 415 V HA 0.640 4.741 4.120 -0.031 0.000 0.290 415 V C -1.271 174.643 176.094 -0.299 0.000 1.030 415 V CA -0.242 61.922 62.300 -0.228 0.000 0.881 415 V CB 1.469 33.165 31.823 -0.212 0.000 0.983 415 V HN 0.754 nan 8.190 nan 0.000 0.445 416 Y N 3.279 123.539 120.300 -0.067 0.000 2.468 416 Y HA 0.384 4.915 4.550 -0.031 0.000 0.342 416 Y C 1.673 177.514 175.900 -0.099 0.000 1.021 416 Y CA -0.037 58.026 58.100 -0.061 0.000 1.079 416 Y CB 2.324 40.739 38.460 -0.076 0.000 1.226 416 Y HN 0.778 nan 8.280 nan 0.000 0.460 417 T N -1.279 113.306 114.554 0.052 0.000 2.746 417 T HA 0.255 4.587 4.350 -0.031 0.000 0.267 417 T C 0.762 175.342 174.700 -0.199 0.000 1.039 417 T CA 0.991 63.051 62.100 -0.066 0.000 1.142 417 T CB -0.278 68.558 68.868 -0.054 0.000 0.866 417 T HN 0.900 nan 8.240 nan 0.000 0.444 418 G N -0.138 108.585 108.800 -0.129 0.000 2.523 418 G HA2 0.495 4.437 3.960 -0.031 0.000 0.291 418 G HA3 0.495 4.437 3.960 -0.031 0.000 0.291 418 G C -0.643 174.145 174.900 -0.188 0.000 1.450 418 G CA -0.279 44.648 45.100 -0.288 0.000 0.790 418 G HN 0.513 nan 8.290 nan 0.000 0.496 419 T N -2.872 111.482 114.554 -0.333 0.000 2.864 419 T HA 0.441 4.772 4.350 -0.031 0.000 0.276 419 T C 1.585 176.152 174.700 -0.220 0.000 1.006 419 T CA 0.423 62.332 62.100 -0.317 0.000 0.970 419 T CB 1.002 69.541 68.868 -0.549 0.000 1.420 419 T HN 0.947 nan 8.240 nan 0.000 0.601 420 H N -0.426 118.609 119.070 -0.058 0.000 2.521 420 H HA 0.024 4.562 4.556 -0.030 0.000 0.286 420 H C 0.552 175.825 175.328 -0.091 0.000 1.034 420 H CA 1.110 57.154 56.048 -0.007 0.000 1.278 420 H CB -0.447 29.407 29.762 0.153 0.000 1.386 420 H HN 0.510 nan 8.280 nan 0.000 0.567 421 D N 0.724 120.733 120.400 -0.652 0.000 2.348 421 D HA 0.022 4.644 4.640 -0.031 0.000 0.211 421 D C -0.019 176.127 176.300 -0.258 0.000 0.998 421 D CA 0.189 53.941 54.000 -0.414 0.000 0.873 421 D CB 0.024 40.567 40.800 -0.428 0.000 0.925 421 D HN 0.478 nan 8.370 nan 0.000 0.524 422 N N 0.554 119.087 118.700 -0.278 0.000 2.489 422 N HA 0.106 4.828 4.740 -0.031 0.000 0.284 422 N C -0.170 175.242 175.510 -0.164 0.000 1.158 422 N CA -0.634 52.272 53.050 -0.239 0.000 0.965 422 N CB 1.407 39.663 38.487 -0.386 0.000 1.195 422 N HN -0.190 nan 8.380 nan 0.000 0.506 423 D N -0.109 120.239 120.400 -0.087 0.000 2.354 423 D HA 0.002 4.624 4.640 -0.031 0.000 0.238 423 D C 0.138 176.404 176.300 -0.057 0.000 1.250 423 D CA 0.057 54.035 54.000 -0.037 0.000 0.911 423 D CB 0.575 41.417 40.800 0.069 0.000 1.163 423 D HN 0.557 nan 8.370 nan 0.000 0.456 424 T N -0.732 113.795 114.554 -0.045 0.000 2.748 424 T HA 0.109 4.440 4.350 -0.031 0.000 0.304 424 T C 2.074 176.813 174.700 0.066 0.000 1.041 424 T CA -0.437 61.638 62.100 -0.043 0.000 1.033 424 T CB 0.319 69.145 68.868 -0.071 0.000 0.995 424 T HN 0.357 nan 8.240 nan 0.000 0.536 425 I N 0.764 121.371 120.570 0.061 0.000 2.163 425 I HA -0.186 3.965 4.170 -0.031 0.000 0.243 425 I C 3.146 179.465 176.117 0.337 0.000 1.085 425 I CA 1.545 62.956 61.300 0.185 0.000 1.347 425 I CB -0.374 37.684 38.000 0.097 0.000 1.044 425 I HN 0.682 nan 8.210 nan 0.000 0.408 426 R N 0.500 121.113 120.500 0.190 0.000 2.081 426 R HA -0.100 4.221 4.340 -0.031 0.000 0.235 426 R C 2.437 178.865 176.300 0.215 0.000 1.131 426 R CA 1.429 57.642 56.100 0.189 0.000 0.960 426 R CB -0.734 29.625 30.300 0.098 0.000 0.856 426 R HN 0.474 nan 8.270 nan 0.000 0.436 427 G N 0.403 109.302 108.800 0.164 0.000 2.421 427 G HA2 -0.292 3.650 3.960 -0.031 0.000 0.216 427 G HA3 -0.292 3.650 3.960 -0.031 0.000 0.216 427 G C 1.152 176.164 174.900 0.187 0.000 1.171 427 G CA 0.541 45.721 45.100 0.132 0.000 0.775 427 G HN 0.477 nan 8.290 nan 0.000 0.543 428 W N 0.290 121.618 121.300 0.047 0.000 2.335 428 W HA -0.085 4.557 4.660 -0.030 0.000 0.311 428 W C 2.291 178.869 176.519 0.099 0.000 1.213 428 W CA 1.440 58.816 57.345 0.053 0.000 1.274 428 W CB -0.436 29.053 29.460 0.048 0.000 1.148 428 W HN 0.193 nan 8.180 nan 0.000 0.498 429 W N 1.636 122.890 121.300 -0.075 0.000 2.338 429 W HA -0.237 4.404 4.660 -0.031 0.000 0.304 429 W C 1.529 177.902 176.519 -0.244 0.000 1.212 429 W CA 2.162 59.309 57.345 -0.329 0.000 1.264 429 W CB -0.594 28.807 29.460 -0.099 0.000 1.142 429 W HN -0.103 nan 8.180 nan 0.000 0.512 430 D N -0.443 119.950 120.400 -0.012 0.000 2.182 430 D HA -0.153 4.468 4.640 -0.031 0.000 0.201 430 D C 1.937 178.126 176.300 -0.184 0.000 0.986 430 D CA 2.360 56.312 54.000 -0.080 0.000 0.847 430 D CB -0.411 40.403 40.800 0.025 0.000 0.942 430 D HN 0.242 nan 8.370 nan 0.000 0.467 431 T N -1.949 112.487 114.554 -0.197 0.000 3.092 431 T HA 0.200 4.531 4.350 -0.031 0.000 0.258 431 T C 0.571 175.098 174.700 -0.288 0.000 1.031 431 T CA -0.553 61.434 62.100 -0.188 0.000 0.925 431 T CB 0.059 68.872 68.868 -0.092 0.000 1.036 431 T HN -0.155 nan 8.240 nan 0.000 0.544 432 L N 3.427 124.351 121.223 -0.498 0.000 2.367 432 L HA 0.458 4.780 4.340 -0.031 0.000 0.275 432 L C -2.403 174.180 176.870 -0.479 0.000 1.129 432 L CA -2.144 52.335 54.840 -0.602 0.000 0.839 432 L CB 0.508 41.947 42.059 -1.034 0.000 1.133 432 L HN -0.030 nan 8.230 nan 0.000 0.453 433 P HA 0.045 nan 4.420 nan 0.000 0.269 433 P C -0.086 177.051 177.300 -0.272 0.000 1.209 433 P CA -0.210 62.750 63.100 -0.234 0.000 0.776 433 P CB 0.572 32.188 31.700 -0.140 0.000 0.876 434 Q N 2.279 121.949 119.800 -0.217 0.000 2.152 434 Q HA -0.255 4.066 4.340 -0.031 0.000 0.206 434 Q C 1.861 177.773 176.000 -0.146 0.000 0.985 434 Q CA 1.971 57.656 55.803 -0.198 0.000 0.863 434 Q CB -0.616 28.045 28.738 -0.129 0.000 0.904 434 Q HN 0.578 nan 8.270 nan 0.000 0.422 435 E N -0.335 119.805 120.200 -0.100 0.000 2.077 435 E HA -0.253 4.079 4.350 -0.031 0.000 0.193 435 E C 1.813 178.389 176.600 -0.040 0.000 0.989 435 E CA 1.327 57.697 56.400 -0.049 0.000 0.800 435 E CB -0.105 29.579 29.700 -0.026 0.000 0.746 435 E HN 0.562 nan 8.360 nan 0.000 0.452 436 E N 0.294 120.449 120.200 -0.075 0.000 2.106 436 E HA -0.173 4.159 4.350 -0.031 0.000 0.192 436 E C 1.988 178.524 176.600 -0.108 0.000 0.984 436 E CA 0.912 57.286 56.400 -0.044 0.000 0.806 436 E CB 0.172 29.839 29.700 -0.055 0.000 0.750 436 E HN 0.116 nan 8.360 nan 0.000 0.458 437 K N 0.130 120.357 120.400 -0.289 0.000 2.032 437 K HA -0.162 4.140 4.320 -0.031 0.000 0.209 437 K C 2.395 178.999 176.600 0.007 0.000 1.048 437 K CA 1.374 57.443 56.287 -0.363 0.000 0.927 437 K CB -0.333 31.772 32.500 -0.658 0.000 0.712 437 K HN 0.002 nan 8.250 nan 0.000 0.441 438 S N 1.168 116.861 115.700 -0.011 0.000 2.370 438 S HA -0.214 4.238 4.470 -0.031 0.000 0.226 438 S C 1.829 176.480 174.600 0.086 0.000 1.033 438 S CA 1.820 60.050 58.200 0.049 0.000 1.011 438 S CB -0.282 62.933 63.200 0.025 0.000 0.852 438 S HN 0.275 nan 8.310 nan 0.000 0.457 439 N N 0.462 119.217 118.700 0.092 0.000 2.142 439 N HA -0.049 4.672 4.740 -0.031 0.000 0.186 439 N C 1.570 177.188 175.510 0.179 0.000 1.023 439 N CA 1.579 54.727 53.050 0.164 0.000 0.852 439 N CB -0.441 38.167 38.487 0.201 0.000 0.998 439 N HN 0.279 nan 8.380 nan 0.000 0.424 440 V N 0.929 120.860 119.914 0.030 0.000 2.295 440 V HA -0.202 3.899 4.120 -0.031 0.000 0.246 440 V C 2.343 178.417 176.094 -0.034 0.000 1.049 440 V CA 1.369 63.498 62.300 -0.285 0.000 1.024 440 V CB -0.597 31.074 31.823 -0.254 0.000 0.648 440 V HN 0.334 nan 8.190 nan 0.000 0.447 441 L N -0.182 121.091 121.223 0.082 0.000 2.046 441 L HA -0.222 4.100 4.340 -0.031 0.000 0.208 441 L C 2.597 179.515 176.870 0.081 0.000 1.077 441 L CA 2.063 56.947 54.840 0.073 0.000 0.747 441 L CB -0.631 41.493 42.059 0.109 0.000 0.896 441 L HN 0.350 nan 8.230 nan 0.000 0.432 442 K N -0.301 120.165 120.400 0.109 0.000 2.026 442 K HA -0.272 4.030 4.320 -0.031 0.000 0.208 442 K C 2.303 178.981 176.600 0.130 0.000 1.048 442 K CA 1.702 58.053 56.287 0.106 0.000 0.929 442 K CB -0.376 32.195 32.500 0.118 0.000 0.713 442 K HN 0.119 nan 8.250 nan 0.000 0.439 443 Y N 1.167 121.538 120.300 0.118 0.000 2.165 443 Y HA -0.118 4.414 4.550 -0.031 0.000 0.286 443 Y C 1.201 177.182 175.900 0.135 0.000 1.155 443 Y CA 1.481 59.691 58.100 0.183 0.000 1.164 443 Y CB 0.094 38.788 38.460 0.390 0.000 0.978 443 Y HN 0.020 nan 8.280 nan 0.000 0.513 444 L N 0.654 122.024 121.223 0.245 0.000 2.777 444 L HA 0.035 4.357 4.340 -0.031 0.000 0.244 444 L C 0.482 177.375 176.870 0.039 0.000 1.235 444 L CA 0.555 55.480 54.840 0.143 0.000 1.062 444 L CB -0.775 41.348 42.059 0.107 0.000 1.340 444 L HN 0.205 nan 8.230 nan 0.000 0.439 445 S N 0.467 116.166 115.700 -0.003 0.000 3.748 445 S HA -0.193 4.258 4.470 -0.031 0.000 0.329 445 S C 0.439 175.040 174.600 0.001 0.000 1.104 445 S CA 0.489 58.679 58.200 -0.017 0.000 0.954 445 S CB -1.444 61.746 63.200 -0.017 0.000 0.910 445 S HN 0.826 nan 8.310 nan 0.000 0.494 446 N N -0.986 117.722 118.700 0.014 0.000 2.740 446 N HA -0.206 4.516 4.740 -0.031 0.000 0.248 446 N C 0.083 175.597 175.510 0.007 0.000 1.062 446 N CA 1.434 54.494 53.050 0.017 0.000 0.704 446 N CB -1.729 36.766 38.487 0.014 0.000 0.968 446 N HN 0.963 nan 8.380 nan 0.000 0.547 447 I N -2.448 118.121 120.570 -0.002 0.000 2.945 447 I HA 0.270 4.421 4.170 -0.031 0.000 0.292 447 I C 0.938 177.036 176.117 -0.032 0.000 1.093 447 I CA -0.393 60.895 61.300 -0.020 0.000 1.336 447 I CB 0.690 38.668 38.000 -0.036 0.000 1.435 447 I HN -0.156 nan 8.210 nan 0.000 0.593 448 E N 2.484 122.659 120.200 -0.040 0.000 2.366 448 E HA -0.013 4.318 4.350 -0.031 0.000 0.266 448 E C 0.648 177.188 176.600 -0.100 0.000 1.051 448 E CA 0.063 56.439 56.400 -0.041 0.000 0.884 448 E CB 1.301 30.985 29.700 -0.027 0.000 1.006 448 E HN 0.808 nan 8.360 nan 0.000 0.417 449 E N 2.166 122.324 120.200 -0.069 0.000 2.171 449 E HA -0.255 4.076 4.350 -0.031 0.000 0.197 449 E C 0.619 177.079 176.600 -0.234 0.000 0.997 449 E CA 1.492 57.806 56.400 -0.144 0.000 0.810 449 E CB 0.249 30.029 29.700 0.134 0.000 0.738 449 E HN 0.370 nan 8.360 nan 0.000 0.467 450 E N 0.353 120.485 120.200 -0.112 0.000 2.338 450 E HA -0.086 4.245 4.350 -0.031 0.000 0.197 450 E C 0.867 177.396 176.600 -0.118 0.000 1.007 450 E CA 0.722 57.068 56.400 -0.091 0.000 0.849 450 E CB 0.217 29.895 29.700 -0.036 0.000 0.774 450 E HN 0.230 nan 8.360 nan 0.000 0.506 451 E N -0.124 119.989 120.200 -0.146 0.000 2.569 451 E HA 0.064 4.395 4.350 -0.031 0.000 0.205 451 E C 1.045 177.536 176.600 -0.182 0.000 1.006 451 E CA -0.169 56.158 56.400 -0.123 0.000 0.985 451 E CB 0.332 29.989 29.700 -0.071 0.000 1.060 451 E HN 0.196 nan 8.360 nan 0.000 0.460 452 I N 0.836 121.208 120.570 -0.330 0.000 2.264 452 I HA -0.280 3.872 4.170 -0.031 0.000 0.248 452 I C 1.900 177.899 176.117 -0.196 0.000 1.111 452 I CA 1.600 62.643 61.300 -0.428 0.000 1.382 452 I CB -0.048 37.372 38.000 -0.966 0.000 1.060 452 I HN -0.082 nan 8.210 nan 0.000 0.418 453 S N 0.272 115.895 115.700 -0.129 0.000 2.348 453 S HA -0.198 4.253 4.470 -0.031 0.000 0.221 453 S C 2.148 176.737 174.600 -0.018 0.000 1.033 453 S CA 1.428 59.605 58.200 -0.039 0.000 1.010 453 S CB -0.424 62.768 63.200 -0.013 0.000 0.891 453 S HN 0.462 nan 8.310 nan 0.000 0.442 454 R N 0.681 121.168 120.500 -0.023 0.000 2.091 454 R HA -0.125 4.197 4.340 -0.031 0.000 0.238 454 R C 2.443 178.742 176.300 -0.002 0.000 1.136 454 R CA 1.551 57.651 56.100 0.001 0.000 0.959 454 R CB -0.785 29.516 30.300 0.002 0.000 0.856 454 R HN 0.464 nan 8.270 nan 0.000 0.437 455 G N 0.734 109.515 108.800 -0.031 0.000 2.446 455 G HA2 -0.253 3.688 3.960 -0.031 0.000 0.217 455 G HA3 -0.253 3.688 3.960 -0.031 0.000 0.217 455 G C 1.267 176.174 174.900 0.012 0.000 1.168 455 G CA 0.566 45.655 45.100 -0.019 0.000 0.771 455 G HN 0.207 nan 8.290 nan 0.000 0.551 456 L N 0.407 121.636 121.223 0.010 0.000 2.072 456 L HA 0.148 4.469 4.340 -0.031 0.000 0.205 456 L C 2.816 179.703 176.870 0.027 0.000 1.079 456 L CA 0.940 55.802 54.840 0.036 0.000 0.752 456 L CB -0.306 41.763 42.059 0.016 0.000 0.906 456 L HN 0.210 nan 8.230 nan 0.000 0.436 457 I N -0.828 119.755 120.570 0.021 0.000 2.163 457 I HA -0.316 3.835 4.170 -0.031 0.000 0.243 457 I C 2.319 178.445 176.117 0.015 0.000 1.085 457 I CA 1.396 62.714 61.300 0.029 0.000 1.347 457 I CB -0.334 37.694 38.000 0.048 0.000 1.044 457 I HN 0.332 nan 8.210 nan 0.000 0.408 458 E N 0.675 120.880 120.200 0.007 0.000 2.106 458 E HA -0.154 4.178 4.350 -0.031 0.000 0.192 458 E C 2.305 178.834 176.600 -0.118 0.000 0.984 458 E CA 1.071 57.445 56.400 -0.044 0.000 0.806 458 E CB -0.310 29.387 29.700 -0.005 0.000 0.750 458 E HN 0.607 nan 8.360 nan 0.000 0.458 459 G N 1.297 110.080 108.800 -0.028 0.000 2.440 459 G HA2 -0.283 3.659 3.960 -0.031 0.000 0.218 459 G HA3 -0.283 3.659 3.960 -0.031 0.000 0.218 459 G C 1.659 176.567 174.900 0.013 0.000 1.154 459 G CA 0.943 46.053 45.100 0.015 0.000 0.767 459 G HN 0.349 nan 8.290 nan 0.000 0.552 460 A N 0.035 122.866 122.820 0.018 0.000 1.872 460 A HA 0.137 4.439 4.320 -0.031 0.000 0.214 460 A C 2.589 180.160 177.584 -0.021 0.000 1.187 460 A CA 1.727 53.776 52.037 0.021 0.000 0.614 460 A CB -0.650 18.355 19.000 0.008 0.000 0.826 460 A HN 0.244 nan 8.150 nan 0.000 0.442 461 V N 1.096 120.980 119.914 -0.050 0.000 2.427 461 V HA -0.190 3.911 4.120 -0.031 0.000 0.248 461 V C 2.754 178.773 176.094 -0.124 0.000 1.051 461 V CA 2.232 64.506 62.300 -0.042 0.000 1.048 461 V CB -0.695 31.142 31.823 0.024 0.000 0.666 461 V HN 0.789 nan 8.190 nan 0.000 0.456 462 S N -0.872 114.605 115.700 -0.372 0.000 2.603 462 S HA 0.037 4.488 4.470 -0.031 0.000 0.220 462 S C 1.160 175.663 174.600 -0.162 0.000 0.967 462 S CA 0.497 58.371 58.200 -0.543 0.000 0.920 462 S CB -0.234 62.331 63.200 -1.059 0.000 0.773 462 S HN 0.468 nan 8.310 nan 0.000 0.529 463 S N 1.179 116.850 115.700 -0.049 0.000 2.584 463 S HA 0.177 4.628 4.470 -0.031 0.000 0.270 463 S C 1.477 176.115 174.600 0.063 0.000 1.346 463 S CA -0.154 58.086 58.200 0.067 0.000 1.018 463 S CB 0.985 64.322 63.200 0.227 0.000 0.899 463 S HN 0.760 nan 8.310 nan 0.000 0.542 464 V N 2.007 121.971 119.914 0.084 0.000 2.970 464 V HA 0.266 4.367 4.120 -0.031 0.000 0.260 464 V C 1.138 177.257 176.094 0.042 0.000 1.100 464 V CA 0.784 63.120 62.300 0.059 0.000 1.122 464 V CB -1.910 29.946 31.823 0.055 0.000 0.721 464 V HN 0.943 nan 8.190 nan 0.000 0.483 465 A N 2.157 125.005 122.820 0.047 0.000 2.546 465 A HA 0.218 4.520 4.320 -0.031 0.000 0.243 465 A C 1.667 179.234 177.584 -0.030 0.000 1.063 465 A CA 0.438 52.462 52.037 -0.023 0.000 0.757 465 A CB -0.073 18.870 19.000 -0.096 0.000 0.991 465 A HN 0.766 nan 8.150 nan 0.000 0.503 466 R N 2.378 122.855 120.500 -0.039 0.000 2.148 466 R HA 0.034 4.355 4.340 -0.031 0.000 0.227 466 R C -0.115 176.161 176.300 -0.040 0.000 1.103 466 R CA 1.022 57.103 56.100 -0.031 0.000 0.983 466 R CB -0.385 29.896 30.300 -0.032 0.000 0.874 466 R HN 0.594 nan 8.270 nan 0.000 0.451 467 I N 1.142 121.671 120.570 -0.068 0.000 2.436 467 I HA 0.435 4.587 4.170 -0.031 0.000 0.289 467 I C -0.669 175.366 176.117 -0.137 0.000 1.010 467 I CA -1.144 60.105 61.300 -0.086 0.000 1.098 467 I CB 2.091 40.036 38.000 -0.093 0.000 1.266 467 I HN 0.108 nan 8.210 nan 0.000 0.434 468 A N 7.708 130.457 122.820 -0.117 0.000 2.331 468 A HA 0.860 5.161 4.320 -0.031 0.000 0.320 468 A C -0.843 176.647 177.584 -0.156 0.000 1.138 468 A CA -0.468 51.480 52.037 -0.149 0.000 0.790 468 A CB 0.997 19.957 19.000 -0.066 0.000 1.206 468 A HN 0.524 nan 8.150 nan 0.000 0.470 469 I N 3.726 124.130 120.570 -0.276 0.000 2.498 469 I HA 0.406 4.558 4.170 -0.031 0.000 0.290 469 I C -0.834 175.282 176.117 -0.001 0.000 1.032 469 I CA -0.502 60.699 61.300 -0.166 0.000 1.073 469 I CB 1.549 39.340 38.000 -0.348 0.000 1.251 469 I HN 0.392 nan 8.210 nan 0.000 0.426 470 I N 6.950 127.592 120.570 0.121 0.000 2.433 470 I HA 0.412 4.564 4.170 -0.031 0.000 0.292 470 I C -2.447 173.803 176.117 0.222 0.000 1.001 470 I CA -2.578 58.816 61.300 0.156 0.000 1.119 470 I CB 1.679 39.767 38.000 0.148 0.000 1.289 470 I HN 0.100 nan 8.210 nan 0.000 0.438 471 P HA 0.177 nan 4.420 nan 0.000 0.271 471 P C 0.825 178.231 177.300 0.178 0.000 1.216 471 P CA -0.343 62.867 63.100 0.183 0.000 0.776 471 P CB 0.739 32.488 31.700 0.081 0.000 0.881 472 M N 3.018 122.761 119.600 0.238 0.000 2.202 472 M HA -0.226 4.236 4.480 -0.031 0.000 0.262 472 M C 1.543 177.926 176.300 0.139 0.000 1.063 472 M CA 2.032 57.490 55.300 0.264 0.000 1.097 472 M CB -0.901 31.926 32.600 0.378 0.000 1.382 472 M HN 0.290 nan 8.290 nan 0.000 0.413 473 Q N 0.216 119.969 119.800 -0.079 0.000 2.135 473 Q HA -0.185 4.137 4.340 -0.031 0.000 0.204 473 Q C 1.713 177.668 176.000 -0.075 0.000 0.981 473 Q CA 2.032 57.677 55.803 -0.264 0.000 0.856 473 Q CB -0.390 28.009 28.738 -0.564 0.000 0.902 473 Q HN 0.571 nan 8.270 nan 0.000 0.425 474 D N -0.667 119.724 120.400 -0.015 0.000 2.149 474 D HA -0.078 4.543 4.640 -0.031 0.000 0.201 474 D C 1.865 178.211 176.300 0.077 0.000 0.972 474 D CA 0.826 54.842 54.000 0.027 0.000 0.835 474 D CB 0.053 40.871 40.800 0.031 0.000 0.966 474 D HN 0.092 nan 8.370 nan 0.000 0.476 475 V N 1.444 121.435 119.914 0.129 0.000 2.392 475 V HA -0.200 3.901 4.120 -0.031 0.000 0.249 475 V C 2.394 178.570 176.094 0.136 0.000 1.059 475 V CA 1.173 63.581 62.300 0.180 0.000 1.051 475 V CB -0.383 31.611 31.823 0.285 0.000 0.658 475 V HN 0.204 nan 8.190 nan 0.000 0.455 476 L N 0.275 121.559 121.223 0.103 0.000 2.591 476 L HA 0.285 4.606 4.340 -0.031 0.000 0.228 476 L C 1.653 178.563 176.870 0.066 0.000 1.133 476 L CA 0.717 55.609 54.840 0.086 0.000 0.880 476 L CB -0.619 41.508 42.059 0.113 0.000 1.033 476 L HN 0.541 nan 8.230 nan 0.000 0.450 477 G N 1.022 109.855 108.800 0.054 0.000 2.221 477 G HA2 -0.275 3.666 3.960 -0.031 0.000 0.265 477 G HA3 -0.275 3.666 3.960 -0.031 0.000 0.265 477 G C 0.090 175.007 174.900 0.028 0.000 1.041 477 G CA 0.006 45.130 45.100 0.040 0.000 0.807 477 G HN 0.261 nan 8.290 nan 0.000 0.502 478 L N -0.318 120.908 121.223 0.005 0.000 2.379 478 L HA 0.719 5.041 4.340 -0.031 0.000 0.269 478 L C 1.428 178.282 176.870 -0.027 0.000 1.084 478 L CA -0.344 54.489 54.840 -0.013 0.000 0.802 478 L CB 1.026 43.055 42.059 -0.051 0.000 1.175 478 L HN 0.220 nan 8.230 nan 0.000 0.448 479 G N -0.239 108.555 108.800 -0.011 0.000 2.641 479 G HA2 0.225 4.167 3.960 -0.031 0.000 0.239 479 G HA3 0.225 4.167 3.960 -0.031 0.000 0.239 479 G C 0.652 175.538 174.900 -0.024 0.000 1.402 479 G CA -0.265 44.837 45.100 0.004 0.000 1.046 479 G HN 0.586 nan 8.290 nan 0.000 0.565 480 S N 0.589 116.290 115.700 0.002 0.000 2.442 480 S HA -0.125 4.327 4.470 -0.031 0.000 0.236 480 S C 1.913 176.504 174.600 -0.016 0.000 1.007 480 S CA 1.596 59.791 58.200 -0.008 0.000 0.965 480 S CB -0.248 62.959 63.200 0.012 0.000 0.773 480 S HN 0.766 nan 8.310 nan 0.000 0.504 481 D N 1.012 121.415 120.400 0.004 0.000 2.378 481 D HA -0.008 4.614 4.640 -0.031 0.000 0.222 481 D C 0.956 177.281 176.300 0.043 0.000 0.980 481 D CA 0.590 54.611 54.000 0.036 0.000 0.907 481 D CB -0.351 40.484 40.800 0.059 0.000 0.899 481 D HN 0.254 nan 8.370 nan 0.000 0.527 482 S N -0.869 114.781 115.700 -0.083 0.000 2.578 482 S HA 0.102 4.553 4.470 -0.031 0.000 0.231 482 S C 0.645 174.967 174.600 -0.464 0.000 0.994 482 S CA -0.718 57.263 58.200 -0.364 0.000 0.956 482 S CB 0.524 63.371 63.200 -0.589 0.000 0.870 482 S HN 0.244 nan 8.310 nan 0.000 0.494 483 R N 1.216 121.593 120.500 -0.205 0.000 2.489 483 R HA 0.141 4.462 4.340 -0.031 0.000 0.287 483 R C 1.274 177.508 176.300 -0.110 0.000 1.053 483 R CA -0.017 55.982 56.100 -0.168 0.000 1.036 483 R CB 0.268 30.504 30.300 -0.107 0.000 0.966 483 R HN 0.096 nan 8.270 nan 0.000 0.432 484 M N 2.805 122.345 119.600 -0.099 0.000 2.160 484 M HA 0.028 4.489 4.480 -0.031 0.000 0.264 484 M C -0.234 175.881 176.300 -0.308 0.000 1.073 484 M CA 1.687 56.971 55.300 -0.027 0.000 1.142 484 M CB -0.187 32.491 32.600 0.129 0.000 1.358 484 M HN 0.647 nan 8.290 nan 0.000 0.422 485 N N -0.861 117.607 118.700 -0.387 0.000 2.264 485 N HA 0.435 5.156 4.740 -0.031 0.000 0.288 485 N C -1.909 173.404 175.510 -0.328 0.000 1.094 485 N CA -0.415 52.266 53.050 -0.616 0.000 0.817 485 N CB 1.474 39.370 38.487 -0.985 0.000 1.604 485 N HN 0.134 nan 8.380 nan 0.000 0.473 486 I N 4.339 124.746 120.570 -0.271 0.000 2.359 486 I HA 0.336 4.488 4.170 -0.031 0.000 0.284 486 I C -1.584 174.453 176.117 -0.132 0.000 1.018 486 I CA -2.131 59.078 61.300 -0.152 0.000 1.173 486 I CB 1.877 39.823 38.000 -0.089 0.000 1.326 486 I HN 0.489 nan 8.210 nan 0.000 0.462 487 P HA -0.207 nan 4.420 nan 0.000 0.218 487 P C 1.330 178.603 177.300 -0.044 0.000 1.146 487 P CA 0.954 64.009 63.100 -0.074 0.000 0.813 487 P CB 0.309 31.967 31.700 -0.070 0.000 0.778 488 A N -1.188 121.609 122.820 -0.038 0.000 2.206 488 A HA 0.058 4.360 4.320 -0.031 0.000 0.211 488 A C 1.159 178.734 177.584 -0.015 0.000 1.158 488 A CA 1.141 53.168 52.037 -0.017 0.000 0.761 488 A CB -1.076 17.920 19.000 -0.006 0.000 0.801 488 A HN 0.326 nan 8.150 nan 0.000 0.473 489 T N -4.962 109.571 114.554 -0.035 0.000 2.940 489 T HA 0.569 4.900 4.350 -0.031 0.000 0.288 489 T C 0.187 174.824 174.700 -0.106 0.000 1.045 489 T CA -0.572 61.505 62.100 -0.039 0.000 1.018 489 T CB 1.575 70.435 68.868 -0.014 0.000 1.151 489 T HN 0.167 nan 8.240 nan 0.000 0.529 490 Q N -0.735 118.936 119.800 -0.216 0.000 2.245 490 Q HA 0.339 4.661 4.340 -0.031 0.000 0.236 490 Q C -0.973 174.574 176.000 -0.756 0.000 0.842 490 Q CA 0.141 55.611 55.803 -0.555 0.000 0.945 490 Q CB 0.649 28.854 28.738 -0.889 0.000 1.122 490 Q HN 0.667 nan 8.270 nan 0.000 0.506 491 F N -1.317 118.659 119.950 0.043 0.000 2.599 491 F HA 0.534 5.043 4.527 -0.031 0.000 0.311 491 F C 0.949 176.769 175.800 0.034 0.000 1.076 491 F CA -0.595 57.438 58.000 0.056 0.000 0.937 491 F CB 1.919 40.951 39.000 0.054 0.000 1.282 491 F HN -0.014 nan 8.300 nan 0.000 0.460 492 G N 1.257 110.214 108.800 0.262 0.000 2.159 492 G HA2 -0.288 3.653 3.960 -0.031 0.000 0.256 492 G HA3 -0.288 3.653 3.960 -0.031 0.000 0.256 492 G C -0.470 174.480 174.900 0.084 0.000 0.977 492 G CA -0.105 45.093 45.100 0.163 0.000 0.652 492 G HN 0.720 nan 8.290 nan 0.000 0.531 493 N N -1.100 117.613 118.700 0.020 0.000 2.489 493 N HA 0.505 5.226 4.740 -0.031 0.000 0.284 493 N C 0.537 176.034 175.510 -0.022 0.000 1.158 493 N CA -0.249 52.640 53.050 -0.269 0.000 0.965 493 N CB 0.405 38.459 38.487 -0.722 0.000 1.195 493 N HN 0.410 nan 8.380 nan 0.000 0.506 494 W N -0.977 120.444 121.300 0.201 0.000 2.869 494 W HA -0.273 4.370 4.660 -0.029 0.000 0.285 494 W C 1.073 177.842 176.519 0.416 0.000 1.098 494 W CA 0.491 57.980 57.345 0.240 0.000 0.571 494 W CB -2.079 27.432 29.460 0.086 0.000 2.131 494 W HN 0.576 nan 8.180 nan 0.000 1.367 495 S N -2.415 113.576 115.700 0.485 0.000 2.523 495 S HA 0.087 4.539 4.470 -0.031 0.000 0.217 495 S C 0.400 175.136 174.600 0.227 0.000 0.996 495 S CA -0.155 58.250 58.200 0.342 0.000 0.921 495 S CB -0.103 63.256 63.200 0.265 0.000 0.829 495 S HN 0.278 nan 8.310 nan 0.000 0.495 496 W N 3.882 125.257 121.300 0.124 0.000 2.295 496 W HA 0.371 5.013 4.660 -0.031 0.000 0.335 496 W C 0.047 176.609 176.519 0.072 0.000 1.351 496 W CA -0.256 57.136 57.345 0.079 0.000 1.273 496 W CB 0.277 29.779 29.460 0.070 0.000 1.214 496 W HN 0.102 nan 8.180 nan 0.000 0.563 497 R N 6.257 126.190 120.500 -0.946 0.000 2.807 497 R HA 0.453 4.774 4.340 -0.031 0.000 0.276 497 R C -0.577 174.874 176.300 -1.415 0.000 0.979 497 R CA -1.439 54.026 56.100 -1.058 0.000 0.928 497 R CB 1.700 31.723 30.300 -0.463 0.000 1.191 497 R HN 0.427 nan 8.270 nan 0.000 0.471 498 I N 3.787 123.674 120.570 -1.138 0.000 2.741 498 I HA -0.013 4.139 4.170 -0.031 0.000 0.288 498 I C -1.850 174.055 176.117 -0.354 0.000 1.192 498 I CA -1.210 59.739 61.300 -0.586 0.000 1.426 498 I CB 0.160 37.916 38.000 -0.407 0.000 1.367 498 I HN 0.193 nan 8.210 nan 0.000 0.563 499 P HA -0.026 nan 4.420 nan 0.000 0.267 499 P C 0.695 177.905 177.300 -0.150 0.000 1.200 499 P CA -0.079 62.945 63.100 -0.127 0.000 0.772 499 P CB 0.579 32.253 31.700 -0.044 0.000 0.855 500 S N 1.143 116.767 115.700 -0.126 0.000 2.387 500 S HA -0.210 4.242 4.470 -0.031 0.000 0.230 500 S C 1.715 176.246 174.600 -0.115 0.000 1.035 500 S CA 1.799 59.925 58.200 -0.124 0.000 1.014 500 S CB -1.538 61.603 63.200 -0.099 0.000 0.836 500 S HN 0.554 nan 8.310 nan 0.000 0.466 501 S N 0.481 116.127 115.700 -0.091 0.000 2.481 501 S HA 0.065 4.516 4.470 -0.031 0.000 0.231 501 S C 0.699 175.244 174.600 -0.091 0.000 0.996 501 S CA 0.333 58.488 58.200 -0.074 0.000 0.942 501 S CB -0.780 62.391 63.200 -0.047 0.000 0.768 501 S HN 0.465 nan 8.310 nan 0.000 0.520 502 T N 3.524 118.002 114.554 -0.126 0.000 2.743 502 T HA 0.542 4.874 4.350 -0.031 0.000 0.293 502 T C -0.086 174.450 174.700 -0.273 0.000 0.945 502 T CA -0.409 61.590 62.100 -0.168 0.000 1.030 502 T CB 1.115 69.884 68.868 -0.166 0.000 0.912 502 T HN 0.512 nan 8.240 nan 0.000 0.483 503 S N 2.291 117.844 115.700 -0.245 0.000 2.536 503 S HA 0.547 4.998 4.470 -0.031 0.000 0.298 503 S C 0.707 175.145 174.600 -0.270 0.000 1.083 503 S CA -0.974 57.048 58.200 -0.295 0.000 0.995 503 S CB 0.889 64.010 63.200 -0.133 0.000 1.058 503 S HN 0.490 nan 8.310 nan 0.000 0.488 504 F N 1.523 121.432 119.950 -0.069 0.000 2.202 504 F HA -0.120 4.389 4.527 -0.031 0.000 0.301 504 F C 2.454 178.289 175.800 0.058 0.000 1.082 504 F CA 1.438 59.398 58.000 -0.067 0.000 1.313 504 F CB -0.215 38.778 39.000 -0.011 0.000 1.024 504 F HN 0.737 nan 8.300 nan 0.000 0.495 505 D N -0.803 119.719 120.400 0.202 0.000 2.348 505 D HA -0.152 4.469 4.640 -0.031 0.000 0.216 505 D C 0.953 177.329 176.300 0.126 0.000 0.970 505 D CA 0.810 54.909 54.000 0.164 0.000 0.889 505 D CB -0.759 40.106 40.800 0.109 0.000 0.912 505 D HN 0.195 nan 8.370 nan 0.000 0.524 506 N N -0.123 118.627 118.700 0.085 0.000 2.268 506 N HA 0.150 4.872 4.740 -0.031 0.000 0.204 506 N C 0.456 176.026 175.510 0.099 0.000 1.124 506 N CA 0.012 53.103 53.050 0.067 0.000 0.838 506 N CB 0.680 39.177 38.487 0.017 0.000 0.994 506 N HN 0.313 nan 8.380 nan 0.000 0.489 507 L N -0.023 121.307 121.223 0.179 0.000 3.062 507 L HA 0.227 4.549 4.340 -0.031 0.000 0.255 507 L C 0.635 177.773 176.870 0.447 0.000 1.274 507 L CA -0.149 54.851 54.840 0.267 0.000 1.047 507 L CB 0.498 42.629 42.059 0.121 0.000 1.402 507 L HN -0.229 nan 8.230 nan 0.000 0.550 508 D N 1.445 122.014 120.400 0.281 0.000 2.117 508 D HA -0.169 4.453 4.640 -0.031 0.000 0.197 508 D C 2.205 178.605 176.300 0.166 0.000 0.987 508 D CA 1.526 55.649 54.000 0.205 0.000 0.829 508 D CB 0.284 41.159 40.800 0.125 0.000 0.961 508 D HN 0.375 nan 8.370 nan 0.000 0.460 509 A N 0.779 123.693 122.820 0.156 0.000 1.877 509 A HA -0.202 4.099 4.320 -0.031 0.000 0.216 509 A C 2.091 179.765 177.584 0.151 0.000 1.186 509 A CA 1.642 53.752 52.037 0.121 0.000 0.620 509 A CB -0.535 18.524 19.000 0.099 0.000 0.822 509 A HN 0.093 nan 8.150 nan 0.000 0.443 510 E N 0.107 120.449 120.200 0.236 0.000 2.110 510 E HA -0.040 4.291 4.350 -0.031 0.000 0.193 510 E C 2.203 178.985 176.600 0.303 0.000 0.988 510 E CA 1.346 57.929 56.400 0.306 0.000 0.804 510 E CB -0.441 29.508 29.700 0.416 0.000 0.745 510 E HN 0.591 nan 8.360 nan 0.000 0.458 511 A N 0.882 123.864 122.820 0.269 0.000 1.898 511 A HA -0.205 4.096 4.320 -0.031 0.000 0.216 511 A C 2.072 179.589 177.584 -0.111 0.000 1.181 511 A CA 1.831 53.781 52.037 -0.146 0.000 0.620 511 A CB -0.380 18.368 19.000 -0.420 0.000 0.819 511 A HN 0.078 nan 8.150 nan 0.000 0.442 512 K N 0.487 120.874 120.400 -0.022 0.000 2.057 512 K HA -0.124 4.177 4.320 -0.031 0.000 0.207 512 K C 1.990 178.586 176.600 -0.006 0.000 1.049 512 K CA 2.080 58.352 56.287 -0.025 0.000 0.931 512 K CB -0.331 32.170 32.500 0.002 0.000 0.714 512 K HN 0.445 nan 8.250 nan 0.000 0.440 513 K N -0.269 120.151 120.400 0.034 0.000 2.063 513 K HA -0.147 4.155 4.320 -0.031 0.000 0.208 513 K C 1.968 178.594 176.600 0.042 0.000 1.048 513 K CA 1.435 57.750 56.287 0.047 0.000 0.928 513 K CB -0.245 32.301 32.500 0.077 0.000 0.713 513 K HN 0.142 nan 8.250 nan 0.000 0.442 514 L N 1.571 122.817 121.223 0.039 0.000 2.027 514 L HA -0.095 4.227 4.340 -0.031 0.000 0.206 514 L C 2.407 179.264 176.870 -0.021 0.000 1.074 514 L CA 1.612 56.467 54.840 0.024 0.000 0.745 514 L CB -0.653 41.418 42.059 0.019 0.000 0.898 514 L HN 0.137 nan 8.230 nan 0.000 0.433 515 R N -0.586 119.870 120.500 -0.074 0.000 2.103 515 R HA -0.199 4.123 4.340 -0.031 0.000 0.242 515 R C 1.872 178.139 176.300 -0.056 0.000 1.142 515 R CA 1.938 57.982 56.100 -0.093 0.000 0.960 515 R CB -0.266 29.956 30.300 -0.130 0.000 0.858 515 R HN 0.422 nan 8.270 nan 0.000 0.439 516 D N 0.476 120.854 120.400 -0.036 0.000 2.117 516 D HA -0.171 4.451 4.640 -0.031 0.000 0.197 516 D C 1.873 178.157 176.300 -0.026 0.000 0.987 516 D CA 1.741 55.721 54.000 -0.033 0.000 0.829 516 D CB -0.242 40.546 40.800 -0.019 0.000 0.961 516 D HN 0.534 nan 8.370 nan 0.000 0.460 517 I N -1.774 118.813 120.570 0.029 0.000 2.439 517 I HA -0.119 4.033 4.170 -0.031 0.000 0.251 517 I C 2.153 178.348 176.117 0.130 0.000 1.139 517 I CA 0.775 62.142 61.300 0.112 0.000 1.438 517 I CB -0.443 37.686 38.000 0.215 0.000 1.085 517 I HN -0.105 nan 8.210 nan 0.000 0.427 518 L N 1.578 122.838 121.223 0.061 0.000 2.083 518 L HA -0.129 4.192 4.340 -0.031 0.000 0.209 518 L C 3.130 179.999 176.870 -0.002 0.000 1.083 518 L CA 1.362 56.227 54.840 0.042 0.000 0.752 518 L CB -0.913 41.141 42.059 -0.008 0.000 0.899 518 L HN 0.384 nan 8.230 nan 0.000 0.433 519 A N 0.060 122.852 122.820 -0.046 0.000 1.858 519 A HA -0.203 4.098 4.320 -0.031 0.000 0.216 519 A C 2.381 179.890 177.584 -0.126 0.000 1.190 519 A CA 2.403 54.394 52.037 -0.077 0.000 0.617 519 A CB -1.020 17.930 19.000 -0.082 0.000 0.827 519 A HN 0.363 nan 8.150 nan 0.000 0.443 520 T N -1.059 113.365 114.554 -0.216 0.000 2.699 520 T HA -0.170 4.162 4.350 -0.031 0.000 0.268 520 T C 1.036 175.415 174.700 -0.535 0.000 1.036 520 T CA 1.908 63.731 62.100 -0.461 0.000 1.147 520 T CB -0.425 67.996 68.868 -0.746 0.000 0.862 520 T HN 0.569 nan 8.240 nan 0.000 0.446 521 Y N 0.396 120.691 120.300 -0.008 0.000 2.625 521 Y HA 0.470 5.001 4.550 -0.031 0.000 0.285 521 Y C 1.561 177.456 175.900 -0.008 0.000 1.168 521 Y CA -0.840 57.258 58.100 -0.003 0.000 1.250 521 Y CB -0.289 38.175 38.460 0.006 0.000 1.130 521 Y HN 0.269 nan 8.280 nan 0.000 0.526 522 G N 1.204 110.030 108.800 0.043 0.000 2.246 522 G HA2 -0.332 3.609 3.960 -0.031 0.000 0.273 522 G HA3 -0.332 3.609 3.960 -0.031 0.000 0.273 522 G C 0.963 175.879 174.900 0.027 0.000 1.055 522 G CA 0.225 45.339 45.100 0.022 0.000 0.851 522 G HN 0.517 nan 8.290 nan 0.000 0.500 523 R N -1.570 118.946 120.500 0.028 0.000 2.437 523 R HA 0.353 4.675 4.340 -0.031 0.000 0.257 523 R C 1.053 177.345 176.300 -0.013 0.000 0.927 523 R CA -0.426 55.683 56.100 0.014 0.000 1.078 523 R CB 0.458 30.776 30.300 0.028 0.000 1.161 523 R HN 0.385 nan 8.270 nan 0.000 0.529 524 L N 0.000 121.207 121.223 -0.026 0.000 2.949 524 L HA 0.000 4.322 4.340 -0.031 0.000 0.249 524 L CA 0.000 54.809 54.840 -0.052 0.000 0.813 524 L CB 0.000 42.021 42.059 -0.064 0.000 0.961 524 L HN 0.000 nan 8.230 nan 0.000 0.502