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 2nvv_1_D DATA FIRST_RESID 2 DATA SEQUENCE ALRFITAEEA AEFVHHNDNV GFSGFTPAGN PKVVPAAIAK RAIAAHEKGN DATA SEQUENCE PFKIGXFTGA STGARLDGVL AQADAVKFRT PYQSNKDLRN LINNGSTSYF DATA SEQUENCE DLHLSTLAQD LRYGFYGKVD VAIIEVADVT EDGKILPTTG VGILPTICRL DATA SEQUENCE ADRIIVELND KHPKEIXGXH DLCEPLDPPA RRELPVYTPS DRIGKPYVQV DATA SEQUENCE DPAKIVGVVR TSEPNDESDF APLDPVTQAI GDNVAAFLVS EXKAGRIPKD DATA SEQUENCE FLPLQSGVGN VANAVLGALG DNPDIPAFNX YTEVIQDAVI ALXKKGRIKF DATA SEQUENCE ASGCSLSVSR SVIQDIYANL DFFKDKILLR PQEYSNNPEI VRRLGVITIN DATA SEQUENCE TALEADIFGN INSTHVSGTR XXNGIGGSGD FTRNSYVSIF TTPSVXKDGK DATA SEQUENCE ISSFVPXVAH HDHSEHSVKV IISEWGVADL RGKNPRERAH EIIDKCVHPD DATA SEQUENCE YRPLLRQYLE LGVKGQTPQN LDCCFAFHQE LAKSGDXRNV RWEDY 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.006 0.000 1.274 2 A CA 0.000 52.044 52.037 0.012 0.000 0.836 2 A CB 0.000 19.022 19.000 0.037 0.000 0.831 3 L N 1.585 122.799 121.223 -0.015 0.000 2.462 3 L HA 0.353 4.693 4.340 -0.000 0.000 0.272 3 L C 1.066 177.875 176.870 -0.102 0.000 1.166 3 L CA 0.907 55.681 54.840 -0.110 0.000 0.880 3 L CB 0.089 42.051 42.059 -0.161 0.000 1.142 3 L HN 0.673 nan 8.230 nan 0.000 0.473 4 R N 3.606 124.004 120.500 -0.170 0.000 2.265 4 R HA 0.379 4.719 4.340 -0.000 0.000 0.319 4 R C -1.201 174.961 176.300 -0.230 0.000 1.006 4 R CA -0.517 55.538 56.100 -0.074 0.000 0.880 4 R CB 0.526 30.808 30.300 -0.029 0.000 1.077 4 R HN 0.327 nan 8.270 nan 0.000 0.454 5 F N 6.205 126.156 119.950 0.002 0.000 2.410 5 F HA 0.388 4.915 4.527 -0.000 0.000 0.349 5 F C 0.681 176.491 175.800 0.018 0.000 1.117 5 F CA -0.467 57.535 58.000 0.004 0.000 1.104 5 F CB 1.087 40.089 39.000 0.004 0.000 1.122 5 F HN 0.396 nan 8.300 nan 0.000 0.483 6 I N -1.247 119.395 120.570 0.121 0.000 3.466 6 I HA 0.718 4.888 4.170 -0.000 0.000 0.311 6 I C -0.353 175.824 176.117 0.100 0.000 1.155 6 I CA -1.067 60.298 61.300 0.109 0.000 0.959 6 I CB 2.025 40.082 38.000 0.095 0.000 1.332 6 I HN 0.464 nan 8.210 nan 0.000 0.483 7 T N -1.207 113.400 114.554 0.090 0.000 2.881 7 T HA 0.596 4.946 4.350 -0.000 0.000 0.278 7 T C 0.931 175.672 174.700 0.069 0.000 0.982 7 T CA -0.132 62.012 62.100 0.073 0.000 0.989 7 T CB 1.623 70.527 68.868 0.061 0.000 1.058 7 T HN 0.839 nan 8.240 nan 0.000 0.529 8 A N 0.117 122.971 122.820 0.056 0.000 2.121 8 A HA 0.048 4.368 4.320 -0.000 0.000 0.218 8 A C 1.991 179.606 177.584 0.051 0.000 1.154 8 A CA 1.101 53.169 52.037 0.051 0.000 0.679 8 A CB -0.855 18.169 19.000 0.040 0.000 0.795 8 A HN 0.877 nan 8.150 nan 0.000 0.458 9 E N 0.099 120.327 120.200 0.047 0.000 2.122 9 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 9 E C 1.861 178.493 176.600 0.053 0.000 0.977 9 E CA 1.181 57.602 56.400 0.035 0.000 0.820 9 E CB -0.176 29.537 29.700 0.021 0.000 0.770 9 E HN 0.739 nan 8.360 nan 0.000 0.462 10 E N 0.665 120.914 120.200 0.081 0.000 2.072 10 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 10 E C 2.051 178.791 176.600 0.233 0.000 0.985 10 E CA 0.896 57.367 56.400 0.118 0.000 0.801 10 E CB -0.145 29.640 29.700 0.141 0.000 0.750 10 E HN 0.239 nan 8.360 nan 0.000 0.452 11 A N 1.762 124.718 122.820 0.227 0.000 1.902 11 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 11 A C 2.434 180.188 177.584 0.284 0.000 1.181 11 A CA 1.616 53.820 52.037 0.279 0.000 0.623 11 A CB -0.667 18.392 19.000 0.097 0.000 0.818 11 A HN 0.282 nan 8.150 nan 0.000 0.443 12 A N -0.159 122.746 122.820 0.142 0.000 2.076 12 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 12 A C 1.776 179.391 177.584 0.051 0.000 1.160 12 A CA 1.541 53.629 52.037 0.085 0.000 0.653 12 A CB -0.521 18.498 19.000 0.033 0.000 0.801 12 A HN 0.680 nan 8.150 nan 0.000 0.455 13 E N -1.268 118.947 120.200 0.026 0.000 2.338 13 E HA -0.108 4.242 4.350 -0.000 0.000 0.197 13 E C 0.783 177.215 176.600 -0.280 0.000 1.007 13 E CA 0.669 56.998 56.400 -0.118 0.000 0.849 13 E CB -0.204 29.384 29.700 -0.187 0.000 0.774 13 E HN 0.785 nan 8.360 nan 0.000 0.506 14 F N 0.361 120.233 119.950 -0.130 0.000 2.811 14 F HA 0.020 4.547 4.527 -0.000 0.000 0.301 14 F C 0.674 176.242 175.800 -0.388 0.000 1.151 14 F CA 0.142 58.036 58.000 -0.176 0.000 1.412 14 F CB 0.495 39.459 39.000 -0.060 0.000 1.113 14 F HN -0.245 nan 8.300 nan 0.000 0.579 15 V N 1.303 121.066 119.914 -0.252 0.000 2.398 15 V HA 0.284 4.404 4.120 -0.000 0.000 0.286 15 V C -0.198 175.687 176.094 -0.349 0.000 1.026 15 V CA -0.838 61.339 62.300 -0.205 0.000 0.868 15 V CB 0.855 32.706 31.823 0.046 0.000 0.982 15 V HN 0.093 nan 8.190 nan 0.000 0.443 16 H N 2.239 121.326 119.070 0.028 0.000 2.771 16 H HA 0.403 4.959 4.556 -0.000 0.000 0.367 16 H C -0.186 174.851 175.328 -0.485 0.000 1.172 16 H CA -0.666 55.300 56.048 -0.138 0.000 1.186 16 H CB 1.510 31.226 29.762 -0.076 0.000 1.790 16 H HN 0.766 nan 8.280 nan 0.000 0.556 17 H N 1.404 119.997 119.070 -0.795 0.000 3.001 17 H HA -0.145 4.411 4.556 -0.000 0.000 0.334 17 H C 0.234 175.374 175.328 -0.314 0.000 1.034 17 H CA 1.238 56.784 56.048 -0.836 0.000 1.420 17 H CB 0.417 29.819 29.762 -0.601 0.000 1.405 17 H HN 0.822 nan 8.280 nan 0.000 0.593 18 N N 2.097 120.299 118.700 -0.830 0.000 2.965 18 N HA -0.198 4.542 4.740 -0.000 0.000 0.232 18 N C -1.220 174.147 175.510 -0.239 0.000 0.913 18 N CA 1.230 53.933 53.050 -0.579 0.000 0.981 18 N CB -0.759 37.343 38.487 -0.642 0.000 1.077 18 N HN 0.632 nan 8.380 nan 0.000 0.589 19 D N 0.306 120.596 120.400 -0.184 0.000 2.341 19 D HA 0.202 4.842 4.640 -0.000 0.000 0.245 19 D C 0.017 176.276 176.300 -0.067 0.000 1.106 19 D CA 0.133 54.095 54.000 -0.065 0.000 0.905 19 D CB 0.346 41.131 40.800 -0.025 0.000 1.202 19 D HN 0.173 nan 8.370 nan 0.000 0.426 20 N N 0.630 119.335 118.700 0.008 0.000 2.425 20 N HA 0.289 5.029 4.740 -0.000 0.000 0.268 20 N C -0.947 174.572 175.510 0.015 0.000 0.991 20 N CA -0.354 52.704 53.050 0.012 0.000 0.931 20 N CB 1.554 40.212 38.487 0.284 0.000 1.130 20 N HN 0.022 nan 8.380 nan 0.000 0.493 21 V N 0.507 120.356 119.914 -0.108 0.000 2.495 21 V HA 0.719 4.838 4.120 -0.000 0.000 0.298 21 V C 0.757 176.654 176.094 -0.329 0.000 1.031 21 V CA -0.992 61.151 62.300 -0.263 0.000 0.871 21 V CB 1.733 33.283 31.823 -0.455 0.000 0.988 21 V HN 0.657 nan 8.190 nan 0.000 0.432 22 G N 2.984 111.606 108.800 -0.297 0.000 2.379 22 G HA2 0.721 4.681 3.960 -0.000 0.000 0.327 22 G HA3 0.721 4.681 3.960 -0.000 0.000 0.327 22 G C -1.290 173.381 174.900 -0.382 0.000 1.145 22 G CA -0.307 44.727 45.100 -0.110 0.000 0.905 22 G HN 0.384 nan 8.290 nan 0.000 0.466 23 F N 0.890 120.896 119.950 0.094 0.000 2.522 23 F HA 0.560 5.087 4.527 -0.000 0.000 0.324 23 F C 0.994 176.831 175.800 0.062 0.000 1.077 23 F CA -0.906 57.129 58.000 0.058 0.000 0.944 23 F CB 2.149 41.175 39.000 0.042 0.000 1.175 23 F HN 0.557 nan 8.300 nan 0.000 0.468 24 S N 0.837 116.666 115.700 0.214 0.000 2.641 24 S HA 0.811 5.281 4.470 -0.000 0.000 0.261 24 S C 0.264 174.955 174.600 0.150 0.000 1.257 24 S CA -0.049 58.235 58.200 0.139 0.000 0.983 24 S CB 1.029 64.274 63.200 0.075 0.000 0.990 24 S HN 1.788 nan 8.310 nan 0.000 0.572 25 G N -0.643 108.236 108.800 0.131 0.000 2.756 25 G HA2 0.103 4.063 3.960 -0.000 0.000 0.678 25 G HA3 0.103 4.063 3.960 -0.000 0.000 0.678 25 G C -1.092 173.956 174.900 0.247 0.000 1.349 25 G CA -0.281 44.908 45.100 0.150 0.000 0.847 25 G HN 1.501 nan 8.290 nan 0.000 0.548 26 F N 2.110 122.082 119.950 0.037 0.000 2.730 26 F HA 0.622 5.149 4.527 -0.000 0.000 0.335 26 F C 0.581 176.393 175.800 0.020 0.000 1.212 26 F CA 1.465 59.483 58.000 0.030 0.000 1.016 26 F CB 1.533 40.546 39.000 0.021 0.000 1.290 26 F HN 2.325 nan 8.300 nan 0.000 0.495 27 T N 3.256 117.646 114.554 -0.273 0.000 0.541 27 T HA -0.150 4.200 4.350 -0.000 0.000 0.774 27 T C -2.415 172.254 174.700 -0.052 0.000 0.992 27 T CA -0.240 61.754 62.100 -0.177 0.000 4.077 27 T CB -1.579 67.221 68.868 -0.114 0.000 2.303 27 T HN 0.332 nan 8.240 nan 0.000 0.398 28 P HA 0.011 nan 4.420 nan 0.000 0.218 28 P C 1.018 178.328 177.300 0.016 0.000 1.152 28 P CA 2.190 65.282 63.100 -0.013 0.000 0.857 28 P CB -0.541 31.153 31.700 -0.010 0.000 0.787 29 A N -0.537 122.302 122.820 0.031 0.000 2.548 29 A HA 0.373 4.693 4.320 -0.000 0.000 0.247 29 A C 1.605 179.222 177.584 0.055 0.000 1.067 29 A CA 0.733 52.801 52.037 0.051 0.000 0.757 29 A CB -1.342 17.699 19.000 0.068 0.000 0.996 29 A HN 0.439 nan 8.150 nan 0.000 0.504 30 G N 2.264 111.072 108.800 0.013 0.000 2.179 30 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.260 30 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.260 30 G C 0.150 175.068 174.900 0.031 0.000 0.977 30 G CA 0.235 45.338 45.100 0.005 0.000 0.641 30 G HN 0.823 nan 8.290 nan 0.000 0.533 31 N N 1.559 120.281 118.700 0.037 0.000 2.487 31 N HA 0.432 5.172 4.740 -0.000 0.000 0.292 31 N C -2.504 173.037 175.510 0.052 0.000 1.108 31 N CA -1.182 51.900 53.050 0.053 0.000 0.956 31 N CB 1.965 40.466 38.487 0.023 0.000 1.176 31 N HN 0.112 nan 8.380 nan 0.000 0.484 32 P HA 0.126 nan 4.420 nan 0.000 0.271 32 P C -0.447 176.884 177.300 0.053 0.000 1.216 32 P CA 0.100 63.249 63.100 0.083 0.000 0.776 32 P CB 1.194 32.979 31.700 0.143 0.000 0.881 33 K N 1.458 121.886 120.400 0.047 0.000 2.450 33 K HA 0.144 4.464 4.320 -0.000 0.000 0.206 33 K C 1.243 177.859 176.600 0.027 0.000 1.148 33 K CA -0.027 56.278 56.287 0.030 0.000 1.014 33 K CB 0.662 33.183 32.500 0.035 0.000 0.966 33 K HN 0.147 nan 8.250 nan 0.000 0.566 34 V N 0.043 119.980 119.914 0.038 0.000 3.484 34 V HA 0.010 4.130 4.120 -0.000 0.000 0.252 34 V C 1.483 177.599 176.094 0.037 0.000 1.282 34 V CA 0.337 62.657 62.300 0.033 0.000 1.104 34 V CB 0.915 32.760 31.823 0.036 0.000 0.868 34 V HN -0.024 nan 8.190 nan 0.000 0.457 35 V N 2.431 122.377 119.914 0.053 0.000 2.323 35 V HA -0.023 4.097 4.120 -0.000 0.000 0.244 35 V C -0.035 176.102 176.094 0.071 0.000 1.041 35 V CA 2.403 64.740 62.300 0.062 0.000 1.025 35 V CB -1.613 30.254 31.823 0.073 0.000 0.656 35 V HN 0.515 nan 8.190 nan 0.000 0.451 36 P HA -0.186 nan 4.420 nan 0.000 0.217 36 P C 1.500 178.816 177.300 0.026 0.000 1.148 36 P CA 2.151 65.303 63.100 0.086 0.000 0.828 36 P CB -0.022 31.704 31.700 0.044 0.000 0.783 37 A N 0.352 123.177 122.820 0.008 0.000 1.968 37 A HA 0.076 4.396 4.320 -0.000 0.000 0.217 37 A C 2.441 180.013 177.584 -0.020 0.000 1.169 37 A CA 1.646 53.676 52.037 -0.012 0.000 0.638 37 A CB -1.305 17.689 19.000 -0.010 0.000 0.812 37 A HN 0.229 nan 8.150 nan 0.000 0.446 38 A N -0.118 122.698 122.820 -0.006 0.000 2.014 38 A HA 0.046 4.366 4.320 -0.000 0.000 0.218 38 A C 1.912 179.468 177.584 -0.047 0.000 1.163 38 A CA 1.278 53.304 52.037 -0.018 0.000 0.652 38 A CB -0.365 18.639 19.000 0.007 0.000 0.808 38 A HN 0.400 nan 8.150 nan 0.000 0.449 39 I N -0.022 120.531 120.570 -0.028 0.000 2.286 39 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 39 I C 2.911 178.924 176.117 -0.174 0.000 1.104 39 I CA 1.328 62.592 61.300 -0.060 0.000 1.397 39 I CB -1.674 36.356 38.000 0.051 0.000 1.072 39 I HN 0.343 nan 8.210 nan 0.000 0.417 40 A N 1.514 124.272 122.820 -0.104 0.000 1.883 40 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 40 A C 2.333 179.817 177.584 -0.166 0.000 1.186 40 A CA 1.557 53.524 52.037 -0.117 0.000 0.624 40 A CB -0.432 18.534 19.000 -0.058 0.000 0.822 40 A HN 0.277 nan 8.150 nan 0.000 0.444 41 K N -0.446 119.875 120.400 -0.132 0.000 2.001 41 K HA -0.214 4.106 4.320 -0.000 0.000 0.214 41 K C 2.196 178.673 176.600 -0.206 0.000 1.050 41 K CA 1.729 57.940 56.287 -0.127 0.000 0.934 41 K CB -0.581 31.866 32.500 -0.088 0.000 0.718 41 K HN 0.577 nan 8.250 nan 0.000 0.443 42 R N 0.832 121.180 120.500 -0.254 0.000 2.103 42 R HA -0.164 4.176 4.340 -0.000 0.000 0.242 42 R C 2.260 178.159 176.300 -0.668 0.000 1.142 42 R CA 1.610 57.496 56.100 -0.357 0.000 0.960 42 R CB -0.227 29.884 30.300 -0.315 0.000 0.858 42 R HN 0.260 nan 8.270 nan 0.000 0.439 43 A N 0.836 123.122 122.820 -0.889 0.000 1.898 43 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 43 A C 2.156 179.244 177.584 -0.827 0.000 1.181 43 A CA 1.296 52.618 52.037 -1.191 0.000 0.620 43 A CB -0.402 18.153 19.000 -0.742 0.000 0.819 43 A HN 0.356 nan 8.150 nan 0.000 0.442 44 I N -0.193 120.141 120.570 -0.393 0.000 2.252 44 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 44 I C 2.905 178.935 176.117 -0.146 0.000 1.102 44 I CA 0.994 62.213 61.300 -0.135 0.000 1.385 44 I CB -0.320 37.658 38.000 -0.037 0.000 1.064 44 I HN 0.352 nan 8.210 nan 0.000 0.414 45 A N 0.674 123.383 122.820 -0.185 0.000 2.019 45 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 45 A C 2.474 179.992 177.584 -0.110 0.000 1.164 45 A CA 1.788 53.754 52.037 -0.119 0.000 0.644 45 A CB -0.568 18.363 19.000 -0.115 0.000 0.805 45 A HN 0.450 nan 8.150 nan 0.000 0.449 46 A N -1.170 121.530 122.820 -0.200 0.000 1.898 46 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 46 A C 2.005 179.564 177.584 -0.041 0.000 1.183 46 A CA 1.225 53.196 52.037 -0.109 0.000 0.622 46 A CB -0.733 18.228 19.000 -0.065 0.000 0.824 46 A HN 0.586 nan 8.150 nan 0.000 0.444 47 H N 0.872 119.943 119.070 0.002 0.000 2.267 47 H HA -0.149 4.407 4.556 -0.000 0.000 0.297 47 H C 2.012 177.337 175.328 -0.004 0.000 1.080 47 H CA 1.757 57.807 56.048 0.004 0.000 1.278 47 H CB -0.736 29.025 29.762 -0.002 0.000 1.365 47 H HN 0.832 nan 8.280 nan 0.000 0.489 48 E N 1.252 121.526 120.200 0.123 0.000 2.463 48 E HA -0.150 4.200 4.350 -0.000 0.000 0.201 48 E C 1.704 178.326 176.600 0.035 0.000 1.045 48 E CA 0.909 57.345 56.400 0.059 0.000 0.872 48 E CB -0.059 29.662 29.700 0.035 0.000 0.797 48 E HN 0.336 nan 8.360 nan 0.000 0.538 49 K N 0.081 120.502 120.400 0.034 0.000 2.374 49 K HA 0.085 4.405 4.320 -0.000 0.000 0.196 49 K C 0.995 177.612 176.600 0.028 0.000 1.023 49 K CA 0.640 56.940 56.287 0.021 0.000 1.103 49 K CB 0.229 32.736 32.500 0.011 0.000 0.848 49 K HN 0.251 nan 8.250 nan 0.000 0.528 50 G N 0.750 109.575 108.800 0.043 0.000 2.175 50 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.244 50 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.244 50 G C -0.589 174.335 174.900 0.039 0.000 0.982 50 G CA 0.105 45.228 45.100 0.038 0.000 0.641 50 G HN 0.473 nan 8.290 nan 0.000 0.527 51 N N 2.281 121.008 118.700 0.045 0.000 2.473 51 N HA 0.519 5.259 4.740 -0.000 0.000 0.291 51 N C -2.503 173.032 175.510 0.042 0.000 1.083 51 N CA -1.437 51.629 53.050 0.025 0.000 0.951 51 N CB 1.968 40.471 38.487 0.027 0.000 1.164 51 N HN 0.144 nan 8.380 nan 0.000 0.480 52 P HA 0.165 nan 4.420 nan 0.000 0.275 52 P C -1.280 175.839 177.300 -0.303 0.000 1.228 52 P CA 0.075 63.069 63.100 -0.177 0.000 0.786 52 P CB 0.651 32.109 31.700 -0.404 0.000 0.927 53 F N 2.281 122.159 119.950 -0.120 0.000 3.240 53 F HA 0.382 4.909 4.527 -0.000 0.000 0.370 53 F C -1.111 174.875 175.800 0.311 0.000 1.271 53 F CA -0.403 57.630 58.000 0.055 0.000 1.224 53 F CB 1.262 40.155 39.000 -0.179 0.000 1.624 53 F HN 0.197 nan 8.300 nan 0.000 0.658 54 K N 7.072 127.805 120.400 0.555 0.000 2.523 54 K HA 0.684 5.004 4.320 -0.000 0.000 0.257 54 K C -1.213 175.447 176.600 0.100 0.000 0.932 54 K CA -0.895 55.602 56.287 0.350 0.000 0.812 54 K CB 3.222 35.887 32.500 0.276 0.000 1.326 54 K HN 0.574 nan 8.250 nan 0.000 0.433 55 I N -1.761 118.840 120.570 0.052 0.000 2.797 55 I HA 0.698 4.868 4.170 -0.000 0.000 0.307 55 I C 0.307 176.252 176.117 -0.286 0.000 1.033 55 I CA -0.823 60.421 61.300 -0.092 0.000 1.071 55 I CB 1.882 39.885 38.000 0.004 0.000 1.255 55 I HN 0.575 nan 8.210 nan 0.000 0.445 59 T N -1.374 113.394 114.554 0.355 0.000 2.831 59 T HA 0.688 5.038 4.350 -0.000 0.000 0.287 59 T C 0.695 175.539 174.700 0.240 0.000 1.070 59 T CA -0.162 62.116 62.100 0.297 0.000 1.010 59 T CB 1.653 70.633 68.868 0.186 0.000 1.264 59 T HN 0.621 nan 8.240 nan 0.000 0.532 60 G N 0.139 109.080 108.800 0.235 0.000 2.456 60 G HA2 0.455 4.415 3.960 -0.000 0.000 0.213 60 G HA3 0.455 4.415 3.960 -0.000 0.000 0.213 60 G C 0.654 175.699 174.900 0.242 0.000 1.215 60 G CA 0.786 46.081 45.100 0.325 0.000 0.805 60 G HN 1.260 nan 8.290 nan 0.000 0.537 61 A N -0.656 122.151 122.820 -0.022 0.000 3.508 61 A HA 0.671 4.991 4.320 -0.000 0.000 0.169 61 A C 0.548 178.121 177.584 -0.018 0.000 0.817 61 A CA 0.726 52.645 52.037 -0.195 0.000 1.256 61 A CB -0.242 18.114 19.000 -1.073 0.000 2.053 61 A HN 0.966 nan 8.150 nan 0.000 0.825 62 S N 0.087 115.769 115.700 -0.031 0.000 2.593 62 S HA 0.535 5.005 4.470 -0.000 0.000 0.269 62 S C 0.206 174.764 174.600 -0.070 0.000 1.334 62 S CA 0.564 58.775 58.200 0.018 0.000 1.015 62 S CB 0.660 63.900 63.200 0.067 0.000 0.912 62 S HN 1.770 nan 8.310 nan 0.000 0.541 63 T N -1.744 112.761 114.554 -0.081 0.000 2.887 63 T HA 0.753 5.103 4.350 -0.000 0.000 0.292 63 T C 0.553 175.199 174.700 -0.089 0.000 1.087 63 T CA -0.454 61.587 62.100 -0.099 0.000 1.009 63 T CB 0.905 69.671 68.868 -0.171 0.000 1.203 63 T HN 0.956 nan 8.240 nan 0.000 0.518 64 G N -0.445 108.309 108.800 -0.077 0.000 2.583 64 G HA2 0.457 4.417 3.960 -0.000 0.000 0.275 64 G HA3 0.457 4.417 3.960 -0.000 0.000 0.275 64 G C 1.131 175.984 174.900 -0.077 0.000 1.342 64 G CA -0.296 44.767 45.100 -0.061 0.000 1.030 64 G HN 1.230 nan 8.290 nan 0.000 0.520 65 A N -0.990 121.794 122.820 -0.061 0.000 2.167 65 A HA 0.105 4.425 4.320 -0.000 0.000 0.214 65 A C 2.088 179.633 177.584 -0.065 0.000 1.151 65 A CA 0.543 52.541 52.037 -0.065 0.000 0.735 65 A CB -0.065 18.906 19.000 -0.049 0.000 0.802 65 A HN 0.542 nan 8.150 nan 0.000 0.467 66 R N -0.789 119.675 120.500 -0.059 0.000 2.391 66 R HA 0.317 4.657 4.340 -0.000 0.000 0.249 66 R C 0.730 176.984 176.300 -0.077 0.000 0.957 66 R CA -0.105 55.964 56.100 -0.052 0.000 1.093 66 R CB 0.146 30.428 30.300 -0.029 0.000 1.156 66 R HN 0.381 nan 8.270 nan 0.000 0.526 67 L N -0.582 120.569 121.223 -0.121 0.000 3.794 67 L HA 0.209 4.549 4.340 -0.000 0.000 0.185 67 L C 0.768 177.508 176.870 -0.217 0.000 1.179 67 L CA 1.036 55.752 54.840 -0.207 0.000 0.903 67 L CB -0.467 41.429 42.059 -0.271 0.000 1.582 67 L HN -0.079 nan 8.230 nan 0.000 0.677 68 D N 0.295 120.564 120.400 -0.219 0.000 2.117 68 D HA -0.097 4.543 4.640 -0.000 0.000 0.197 68 D C 1.793 178.012 176.300 -0.136 0.000 0.987 68 D CA 1.520 55.407 54.000 -0.189 0.000 0.829 68 D CB -0.013 40.676 40.800 -0.185 0.000 0.961 68 D HN 0.574 nan 8.370 nan 0.000 0.460 69 G N 1.011 109.741 108.800 -0.117 0.000 2.511 69 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 69 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 69 G C 1.783 176.639 174.900 -0.073 0.000 1.218 69 G CA 0.979 46.025 45.100 -0.090 0.000 0.788 69 G HN 0.290 nan 8.290 nan 0.000 0.560 70 V N 0.207 120.080 119.914 -0.068 0.000 2.343 70 V HA -0.091 4.029 4.120 -0.000 0.000 0.247 70 V C 2.835 178.902 176.094 -0.045 0.000 1.051 70 V CA 1.648 63.917 62.300 -0.052 0.000 1.036 70 V CB -0.268 31.527 31.823 -0.047 0.000 0.654 70 V HN 0.231 nan 8.190 nan 0.000 0.451 71 L N 0.283 121.472 121.223 -0.058 0.000 2.093 71 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 71 L C 2.648 179.506 176.870 -0.021 0.000 1.085 71 L CA 2.298 57.118 54.840 -0.033 0.000 0.755 71 L CB -1.626 40.400 42.059 -0.055 0.000 0.904 71 L HN 0.404 nan 8.230 nan 0.000 0.435 72 A N -1.340 121.450 122.820 -0.050 0.000 1.897 72 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 72 A C 2.144 179.708 177.584 -0.033 0.000 1.181 72 A CA 1.130 53.138 52.037 -0.048 0.000 0.620 72 A CB -0.373 18.580 19.000 -0.078 0.000 0.821 72 A HN 0.518 nan 8.150 nan 0.000 0.443 73 Q N -0.605 119.174 119.800 -0.035 0.000 2.226 73 Q HA -0.058 4.282 4.340 -0.000 0.000 0.204 73 Q C 2.083 178.078 176.000 -0.008 0.000 0.975 73 Q CA 1.177 56.963 55.803 -0.027 0.000 0.866 73 Q CB -0.324 28.396 28.738 -0.030 0.000 0.915 73 Q HN 0.670 nan 8.270 nan 0.000 0.440 74 A N 1.035 123.861 122.820 0.009 0.000 2.208 74 A HA -0.072 4.248 4.320 -0.000 0.000 0.209 74 A C 0.411 178.057 177.584 0.103 0.000 1.161 74 A CA 0.642 52.713 52.037 0.056 0.000 0.782 74 A CB 0.017 19.041 19.000 0.039 0.000 0.816 74 A HN 0.395 nan 8.150 nan 0.000 0.477 75 D N -2.352 118.072 120.400 0.040 0.000 2.689 75 D HA -0.184 4.455 4.640 -0.000 0.000 0.237 75 D C 0.338 176.705 176.300 0.111 0.000 1.148 75 D CA 0.982 54.989 54.000 0.010 0.000 0.656 75 D CB -1.319 39.422 40.800 -0.098 0.000 1.050 75 D HN 0.566 nan 8.370 nan 0.000 0.426 76 A N -0.050 122.871 122.820 0.168 0.000 2.631 76 A HA 0.491 4.811 4.320 -0.000 0.000 0.294 76 A C 0.156 177.839 177.584 0.164 0.000 1.156 76 A CA -0.209 51.988 52.037 0.267 0.000 0.963 76 A CB 0.815 19.994 19.000 0.299 0.000 1.202 76 A HN 0.186 nan 8.150 nan 0.000 0.523 77 V N 1.824 121.790 119.914 0.087 0.000 2.294 77 V HA 0.111 4.231 4.120 -0.000 0.000 0.272 77 V C 1.277 177.397 176.094 0.042 0.000 1.027 77 V CA -0.068 62.248 62.300 0.027 0.000 0.823 77 V CB 0.708 32.529 31.823 -0.003 0.000 1.030 77 V HN 0.758 nan 8.190 nan 0.000 0.457 78 K N 4.828 125.234 120.400 0.009 0.000 2.116 78 K HA 0.080 4.400 4.320 -0.000 0.000 0.203 78 K C 0.321 177.037 176.600 0.194 0.000 1.052 78 K CA 0.946 57.284 56.287 0.085 0.000 0.952 78 K CB 0.293 32.837 32.500 0.073 0.000 0.729 78 K HN 0.541 nan 8.250 nan 0.000 0.446 79 F N -0.852 119.127 119.950 0.048 0.000 2.703 79 F HA 0.634 5.161 4.527 -0.000 0.000 0.308 79 F C -1.624 174.159 175.800 -0.028 0.000 1.126 79 F CA -1.621 56.423 58.000 0.075 0.000 0.959 79 F CB 1.267 40.362 39.000 0.160 0.000 1.297 79 F HN -0.131 nan 8.300 nan 0.000 0.441 80 R N 1.285 121.952 120.500 0.280 0.000 2.673 80 R HA 0.894 5.234 4.340 -0.000 0.000 0.281 80 R C -1.805 174.391 176.300 -0.173 0.000 0.991 80 R CA -0.151 55.986 56.100 0.062 0.000 0.896 80 R CB 2.235 32.600 30.300 0.108 0.000 1.201 80 R HN 1.031 nan 8.270 nan 0.000 0.457 81 T N 3.499 117.933 114.554 -0.199 0.000 2.885 81 T HA 0.420 4.770 4.350 -0.000 0.000 0.322 81 T C -2.594 172.095 174.700 -0.018 0.000 1.387 81 T CA -1.024 60.860 62.100 -0.359 0.000 1.041 81 T CB 2.228 70.717 68.868 -0.631 0.000 1.287 81 T HN 0.529 nan 8.240 nan 0.000 0.491 82 P HA 0.259 nan 4.420 nan 0.000 0.286 82 P C -0.729 176.654 177.300 0.137 0.000 1.269 82 P CA 0.159 63.237 63.100 -0.036 0.000 0.908 82 P CB 0.748 32.477 31.700 0.048 0.000 1.395 83 Y N 1.375 121.735 120.300 0.101 0.000 2.479 83 Y HA 0.502 5.052 4.550 -0.000 0.000 0.338 83 Y C -1.278 174.668 175.900 0.077 0.000 1.055 83 Y CA -0.627 57.561 58.100 0.146 0.000 1.023 83 Y CB 1.775 40.268 38.460 0.055 0.000 1.287 83 Y HN -0.220 nan 8.280 nan 0.000 0.447 84 Q N 1.876 121.470 119.800 -0.343 0.000 2.544 84 Q HA 0.702 5.042 4.340 -0.000 0.000 0.291 84 Q C -1.304 174.399 176.000 -0.495 0.000 1.068 84 Q CA -0.875 54.729 55.803 -0.332 0.000 0.785 84 Q CB 2.011 30.509 28.738 -0.400 0.000 1.481 84 Q HN 0.446 nan 8.270 nan 0.000 0.430 85 S N 0.664 116.198 115.700 -0.275 0.000 2.665 85 S HA 0.265 4.735 4.470 -0.000 0.000 0.226 85 S C -1.489 173.020 174.600 -0.151 0.000 0.773 85 S CA -0.507 57.568 58.200 -0.208 0.000 1.041 85 S CB -0.506 62.656 63.200 -0.064 0.000 1.570 85 S HN 0.669 nan 8.310 nan 0.000 0.470 86 N N 1.896 120.488 118.700 -0.180 0.000 2.314 86 N HA 0.277 5.016 4.740 -0.000 0.000 0.294 86 N C 1.088 176.510 175.510 -0.147 0.000 1.029 86 N CA -0.495 52.470 53.050 -0.142 0.000 0.845 86 N CB 1.599 40.002 38.487 -0.139 0.000 1.321 86 N HN 0.412 nan 8.380 nan 0.000 0.481 87 K N 2.832 123.165 120.400 -0.113 0.000 2.063 87 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 87 K C 0.286 176.823 176.600 -0.105 0.000 1.048 87 K CA 1.282 57.506 56.287 -0.104 0.000 0.928 87 K CB -0.026 32.428 32.500 -0.077 0.000 0.713 87 K HN 0.466 nan 8.250 nan 0.000 0.442 88 D N 1.272 121.614 120.400 -0.097 0.000 2.097 88 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 88 D C 2.068 178.302 176.300 -0.109 0.000 0.984 88 D CA 0.947 54.894 54.000 -0.089 0.000 0.826 88 D CB -0.143 40.611 40.800 -0.076 0.000 0.973 88 D HN 0.159 nan 8.370 nan 0.000 0.460 89 L N 1.382 122.523 121.223 -0.137 0.000 2.056 89 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 89 L C 2.355 179.101 176.870 -0.207 0.000 1.078 89 L CA 1.485 56.224 54.840 -0.168 0.000 0.749 89 L CB -0.487 41.449 42.059 -0.204 0.000 0.901 89 L HN -0.168 nan 8.230 nan 0.000 0.433 90 R N -0.390 119.976 120.500 -0.223 0.000 2.091 90 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 90 R C 2.063 178.258 176.300 -0.174 0.000 1.136 90 R CA 2.192 58.148 56.100 -0.241 0.000 0.959 90 R CB -0.354 29.814 30.300 -0.219 0.000 0.856 90 R HN 0.600 nan 8.270 nan 0.000 0.437 91 N N -0.052 118.570 118.700 -0.131 0.000 2.142 91 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 91 N C 1.691 177.151 175.510 -0.084 0.000 1.023 91 N CA 0.838 53.830 53.050 -0.096 0.000 0.852 91 N CB -0.098 38.343 38.487 -0.077 0.000 0.998 91 N HN 0.091 nan 8.380 nan 0.000 0.424 92 L N 1.610 122.781 121.223 -0.087 0.000 2.042 92 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 92 L C 1.781 178.617 176.870 -0.058 0.000 1.076 92 L CA 1.435 56.236 54.840 -0.066 0.000 0.749 92 L CB -0.335 41.683 42.059 -0.067 0.000 0.893 92 L HN 0.191 nan 8.230 nan 0.000 0.432 93 I N -0.503 120.013 120.570 -0.091 0.000 2.133 93 I HA -0.320 3.850 4.170 -0.000 0.000 0.238 93 I C 1.953 178.043 176.117 -0.045 0.000 1.074 93 I CA 1.903 63.162 61.300 -0.070 0.000 1.342 93 I CB -0.507 37.395 38.000 -0.164 0.000 1.053 93 I HN 0.327 nan 8.210 nan 0.000 0.404 94 N N 0.705 119.359 118.700 -0.077 0.000 2.443 94 N HA -0.146 4.594 4.740 -0.000 0.000 0.184 94 N C 0.969 176.457 175.510 -0.036 0.000 1.037 94 N CA 0.792 53.806 53.050 -0.061 0.000 0.896 94 N CB -0.241 38.195 38.487 -0.085 0.000 0.959 94 N HN 0.405 nan 8.380 nan 0.000 0.442 95 N N -0.320 118.360 118.700 -0.034 0.000 2.322 95 N HA 0.088 4.828 4.740 -0.000 0.000 0.194 95 N C 0.469 175.975 175.510 -0.008 0.000 1.126 95 N CA 0.004 53.041 53.050 -0.022 0.000 0.845 95 N CB 0.627 39.097 38.487 -0.027 0.000 0.976 95 N HN 0.128 nan 8.380 nan 0.000 0.475 96 G N 0.711 109.512 108.800 0.002 0.000 2.249 96 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.273 96 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.273 96 G C 0.650 175.563 174.900 0.022 0.000 1.036 96 G CA 0.627 45.739 45.100 0.020 0.000 0.824 96 G HN 0.359 nan 8.290 nan 0.000 0.504 97 S N -1.274 114.433 115.700 0.013 0.000 2.575 97 S HA 0.417 4.887 4.470 -0.000 0.000 0.215 97 S C 0.808 175.426 174.600 0.030 0.000 0.966 97 S CA 0.957 59.164 58.200 0.011 0.000 0.911 97 S CB 0.848 64.043 63.200 -0.008 0.000 0.780 97 S HN 1.039 nan 8.310 nan 0.000 0.514 98 T N 0.444 115.028 114.554 0.050 0.000 2.769 98 T HA 0.381 4.731 4.350 -0.000 0.000 0.306 98 T C -1.674 173.108 174.700 0.136 0.000 1.400 98 T CA -0.490 61.662 62.100 0.087 0.000 1.007 98 T CB 1.568 70.477 68.868 0.068 0.000 1.392 98 T HN -0.081 nan 8.240 nan 0.000 0.500 99 S N 2.100 117.921 115.700 0.200 0.000 2.438 99 S HA 0.605 5.075 4.470 -0.000 0.000 0.293 99 S C -1.546 173.285 174.600 0.385 0.000 1.141 99 S CA -0.448 57.917 58.200 0.274 0.000 1.080 99 S CB 0.347 63.719 63.200 0.286 0.000 0.978 99 S HN 0.540 nan 8.310 nan 0.000 0.479 100 Y N 4.204 124.630 120.300 0.210 0.000 2.442 100 Y HA 0.664 5.214 4.550 -0.000 0.000 0.344 100 Y C -1.750 174.297 175.900 0.245 0.000 0.976 100 Y CA -1.866 56.308 58.100 0.123 0.000 1.040 100 Y CB 0.967 39.429 38.460 0.002 0.000 1.228 100 Y HN 0.618 nan 8.280 nan 0.000 0.451 101 F N 4.042 123.604 119.950 -0.648 0.000 2.617 101 F HA 0.451 4.978 4.527 -0.000 0.000 0.325 101 F C -1.364 174.012 175.800 -0.707 0.000 1.179 101 F CA -1.662 56.009 58.000 -0.548 0.000 0.965 101 F CB 0.717 39.589 39.000 -0.212 0.000 1.232 101 F HN 0.387 nan 8.300 nan 0.000 0.461 102 D N 4.236 124.264 120.400 -0.619 0.000 2.304 102 D HA 0.533 5.173 4.640 -0.000 0.000 0.250 102 D C -0.431 175.815 176.300 -0.090 0.000 1.107 102 D CA -0.124 53.674 54.000 -0.336 0.000 0.885 102 D CB 2.116 42.863 40.800 -0.089 0.000 1.192 102 D HN 0.657 nan 8.370 nan 0.000 0.436 103 L N 0.527 121.735 121.223 -0.025 0.000 2.279 103 L HA 0.302 4.642 4.340 -0.000 0.000 0.262 103 L C 0.303 177.197 176.870 0.040 0.000 1.019 103 L CA -1.339 53.507 54.840 0.009 0.000 0.823 103 L CB 1.586 43.712 42.059 0.112 0.000 1.358 103 L HN 0.322 nan 8.230 nan 0.000 0.432 104 H N 2.464 121.626 119.070 0.153 0.000 2.975 104 H HA 0.109 4.665 4.556 -0.000 0.000 0.303 104 H C 0.962 176.367 175.328 0.129 0.000 1.023 104 H CA 0.127 56.260 56.048 0.141 0.000 1.473 104 H CB 1.059 30.889 29.762 0.113 0.000 1.498 104 H HN 0.507 nan 8.280 nan 0.000 0.549 105 L N 2.546 123.918 121.223 0.248 0.000 2.043 105 L HA -0.264 4.075 4.340 -0.000 0.000 0.212 105 L C 2.434 179.383 176.870 0.131 0.000 1.075 105 L CA 1.880 56.841 54.840 0.202 0.000 0.752 105 L CB -0.578 41.630 42.059 0.248 0.000 0.891 105 L HN 0.553 nan 8.230 nan 0.000 0.432 106 S N -1.274 114.471 115.700 0.076 0.000 2.500 106 S HA -0.140 4.330 4.470 -0.000 0.000 0.239 106 S C 1.812 176.410 174.600 -0.003 0.000 0.989 106 S CA 1.284 59.477 58.200 -0.010 0.000 0.951 106 S CB -0.653 62.496 63.200 -0.085 0.000 0.759 106 S HN 0.627 nan 8.310 nan 0.000 0.523 107 T N -1.266 113.332 114.554 0.073 0.000 3.037 107 T HA 0.248 4.598 4.350 -0.000 0.000 0.251 107 T C 1.522 176.269 174.700 0.079 0.000 1.079 107 T CA 0.309 62.454 62.100 0.075 0.000 1.067 107 T CB -0.366 68.604 68.868 0.171 0.000 0.948 107 T HN 0.237 nan 8.240 nan 0.000 0.496 108 L N 2.148 123.436 121.223 0.109 0.000 2.042 108 L HA 0.193 4.533 4.340 -0.000 0.000 0.210 108 L C 2.767 179.651 176.870 0.023 0.000 1.076 108 L CA 1.889 56.802 54.840 0.122 0.000 0.749 108 L CB -1.267 40.854 42.059 0.102 0.000 0.893 108 L HN 0.356 nan 8.230 nan 0.000 0.432 109 A N -0.289 122.507 122.820 -0.039 0.000 1.851 109 A HA -0.306 4.014 4.320 -0.000 0.000 0.216 109 A C 2.163 179.614 177.584 -0.223 0.000 1.195 109 A CA 2.070 54.046 52.037 -0.102 0.000 0.622 109 A CB -0.863 18.090 19.000 -0.078 0.000 0.831 109 A HN 0.746 nan 8.150 nan 0.000 0.444 110 Q N -0.947 118.654 119.800 -0.332 0.000 2.119 110 Q HA -0.187 4.153 4.340 -0.000 0.000 0.201 110 Q C 1.070 176.411 176.000 -1.099 0.000 0.972 110 Q CA 1.635 57.022 55.803 -0.695 0.000 0.847 110 Q CB -0.529 27.773 28.738 -0.726 0.000 0.903 110 Q HN 0.477 nan 8.270 nan 0.000 0.433 111 D N 0.832 120.841 120.400 -0.652 0.000 2.264 111 D HA -0.041 4.599 4.640 -0.000 0.000 0.208 111 D C 1.803 177.879 176.300 -0.374 0.000 0.966 111 D CA 0.688 54.355 54.000 -0.555 0.000 0.864 111 D CB 0.016 40.869 40.800 0.087 0.000 0.933 111 D HN 0.241 nan 8.370 nan 0.000 0.499 112 L N 0.130 121.242 121.223 -0.184 0.000 2.072 112 L HA -0.052 4.288 4.340 -0.000 0.000 0.205 112 L C 2.448 179.209 176.870 -0.182 0.000 1.079 112 L CA 0.931 55.703 54.840 -0.112 0.000 0.752 112 L CB -0.039 41.919 42.059 -0.169 0.000 0.906 112 L HN -0.058 nan 8.230 nan 0.000 0.436 113 R N -1.092 119.254 120.500 -0.256 0.000 2.096 113 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 113 R C 2.099 178.351 176.300 -0.080 0.000 1.127 113 R CA 1.122 57.121 56.100 -0.168 0.000 0.968 113 R CB -0.346 29.847 30.300 -0.178 0.000 0.861 113 R HN 0.298 nan 8.270 nan 0.000 0.440 114 Y N -0.028 120.037 120.300 -0.391 0.000 2.497 114 Y HA 0.043 4.593 4.550 -0.000 0.000 0.292 114 Y C 1.869 177.545 175.900 -0.374 0.000 1.137 114 Y CA 0.770 58.539 58.100 -0.552 0.000 1.285 114 Y CB -0.574 37.111 38.460 -1.291 0.000 0.991 114 Y HN 0.364 nan 8.280 nan 0.000 0.556 115 G N -1.601 107.134 108.800 -0.109 0.000 2.141 115 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.242 115 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.242 115 G C 0.807 175.786 174.900 0.131 0.000 0.982 115 G CA 0.262 45.376 45.100 0.024 0.000 0.662 115 G HN 0.231 nan 8.290 nan 0.000 0.527 116 F N 0.026 119.876 119.950 -0.167 0.000 2.171 116 F HA 0.184 4.711 4.527 -0.000 0.000 0.300 116 F C 1.440 176.933 175.800 -0.511 0.000 1.090 116 F CA 0.199 57.955 58.000 -0.407 0.000 1.293 116 F CB -0.644 37.971 39.000 -0.641 0.000 1.013 116 F HN 0.362 nan 8.300 nan 0.000 0.486 117 Y N -0.803 119.652 120.300 0.258 0.000 2.393 117 Y HA 0.546 5.096 4.550 -0.000 0.000 0.341 117 Y C 1.220 177.249 175.900 0.216 0.000 0.988 117 Y CA -1.014 57.233 58.100 0.246 0.000 1.078 117 Y CB 0.544 39.238 38.460 0.390 0.000 1.203 117 Y HN 0.006 nan 8.280 nan 0.000 0.453 118 G N 2.636 111.649 108.800 0.355 0.000 1.940 118 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.544 118 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.544 118 G C -0.158 174.884 174.900 0.236 0.000 1.222 118 G CA 0.104 45.364 45.100 0.267 0.000 1.086 118 G HN 0.569 nan 8.290 nan 0.000 0.519 119 K N -1.144 119.399 120.400 0.238 0.000 2.123 119 K HA 0.504 4.824 4.320 -0.000 0.000 0.248 119 K C -1.096 175.649 176.600 0.242 0.000 0.969 119 K CA -0.631 55.762 56.287 0.177 0.000 0.882 119 K CB 1.723 34.300 32.500 0.127 0.000 1.080 119 K HN 0.113 nan 8.250 nan 0.000 0.441 120 V N 4.353 124.355 119.914 0.147 0.000 2.328 120 V HA 0.083 4.203 4.120 -0.000 0.000 0.278 120 V C 0.547 176.696 176.094 0.092 0.000 1.021 120 V CA -0.495 61.895 62.300 0.150 0.000 0.838 120 V CB 1.176 33.026 31.823 0.046 0.000 0.999 120 V HN 0.856 nan 8.190 nan 0.000 0.447 121 D N 2.574 123.029 120.400 0.093 0.000 2.120 121 D HA 0.006 4.646 4.640 -0.000 0.000 0.202 121 D C 0.610 176.929 176.300 0.030 0.000 0.972 121 D CA 1.469 55.506 54.000 0.062 0.000 0.837 121 D CB 1.031 41.871 40.800 0.066 0.000 0.989 121 D HN 0.453 nan 8.370 nan 0.000 0.469 122 V N -1.099 118.810 119.914 -0.007 0.000 3.049 122 V HA 0.716 4.836 4.120 -0.000 0.000 0.309 122 V C -1.906 174.118 176.094 -0.117 0.000 1.148 122 V CA -0.781 61.488 62.300 -0.051 0.000 0.990 122 V CB 2.160 33.957 31.823 -0.044 0.000 1.039 122 V HN 0.064 nan 8.190 nan 0.000 0.430 123 A N 6.424 129.172 122.820 -0.121 0.000 2.319 123 A HA 0.849 5.169 4.320 -0.000 0.000 0.310 123 A C -0.898 176.599 177.584 -0.145 0.000 1.152 123 A CA -0.648 51.300 52.037 -0.148 0.000 0.783 123 A CB 0.908 19.857 19.000 -0.085 0.000 1.184 123 A HN 0.813 nan 8.150 nan 0.000 0.474 124 I N 4.387 124.848 120.570 -0.182 0.000 2.321 124 I HA 0.450 4.620 4.170 -0.000 0.000 0.291 124 I C -0.043 176.082 176.117 0.014 0.000 0.998 124 I CA -0.237 61.025 61.300 -0.064 0.000 1.227 124 I CB 0.521 38.533 38.000 0.020 0.000 1.368 124 I HN 0.685 nan 8.210 nan 0.000 0.466 125 I N 1.936 122.510 120.570 0.006 0.000 2.828 125 I HA 0.622 4.792 4.170 -0.000 0.000 0.302 125 I C -0.498 175.628 176.117 0.015 0.000 1.101 125 I CA -0.833 60.480 61.300 0.020 0.000 1.031 125 I CB 2.754 40.749 38.000 -0.009 0.000 1.231 125 I HN 0.547 nan 8.210 nan 0.000 0.427 126 E N 3.809 124.019 120.200 0.017 0.000 2.216 126 E HA 0.652 5.002 4.350 -0.000 0.000 0.279 126 E C -1.621 174.964 176.600 -0.025 0.000 0.997 126 E CA -0.656 55.746 56.400 0.003 0.000 0.817 126 E CB 2.031 31.730 29.700 -0.002 0.000 1.096 126 E HN 0.592 nan 8.360 nan 0.000 0.393 127 V N 2.769 122.673 119.914 -0.016 0.000 3.040 127 V HA 0.471 4.591 4.120 -0.000 0.000 0.312 127 V C 0.360 176.457 176.094 0.005 0.000 1.115 127 V CA -0.181 62.105 62.300 -0.024 0.000 0.998 127 V CB 1.714 33.522 31.823 -0.024 0.000 1.042 127 V HN 0.894 nan 8.190 nan 0.000 0.433 128 A N 1.338 124.161 122.820 0.006 0.000 2.197 128 A HA 0.447 4.767 4.320 -0.000 0.000 0.210 128 A C 0.290 177.893 177.584 0.032 0.000 1.180 128 A CA 0.873 52.937 52.037 0.045 0.000 0.846 128 A CB -0.011 19.024 19.000 0.059 0.000 0.884 128 A HN 0.873 nan 8.150 nan 0.000 0.487 129 D N -2.338 118.071 120.400 0.014 0.000 2.746 129 D HA 0.299 4.939 4.640 -0.000 0.000 0.211 129 D C -1.816 174.478 176.300 -0.010 0.000 1.242 129 D CA -0.064 53.942 54.000 0.010 0.000 0.790 129 D CB 1.713 42.517 40.800 0.006 0.000 1.744 129 D HN 0.166 nan 8.370 nan 0.000 0.520 130 V N 3.798 123.707 119.914 -0.008 0.000 2.443 130 V HA 0.627 4.747 4.120 -0.000 0.000 0.293 130 V C -0.341 175.734 176.094 -0.033 0.000 1.021 130 V CA -0.066 62.214 62.300 -0.034 0.000 0.848 130 V CB 1.477 33.268 31.823 -0.054 0.000 0.998 130 V HN 0.695 nan 8.190 nan 0.000 0.424 131 T N 4.435 118.954 114.554 -0.057 0.000 2.828 131 T HA 0.154 4.504 4.350 -0.000 0.000 0.290 131 T C 0.975 175.646 174.700 -0.049 0.000 1.019 131 T CA 0.020 62.084 62.100 -0.059 0.000 1.031 131 T CB 1.360 70.164 68.868 -0.106 0.000 1.001 131 T HN 0.882 nan 8.240 nan 0.000 0.531 132 E N 0.953 121.133 120.200 -0.033 0.000 2.208 132 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 132 E C 1.262 177.840 176.600 -0.036 0.000 0.988 132 E CA 0.834 57.219 56.400 -0.025 0.000 0.828 132 E CB -0.004 29.692 29.700 -0.006 0.000 0.763 132 E HN 0.662 nan 8.360 nan 0.000 0.478 133 D N -1.278 119.094 120.400 -0.047 0.000 2.370 133 D HA 0.111 4.751 4.640 -0.000 0.000 0.230 133 D C 0.800 177.070 176.300 -0.050 0.000 1.143 133 D CA 0.467 54.440 54.000 -0.045 0.000 0.834 133 D CB -0.258 40.512 40.800 -0.050 0.000 0.944 133 D HN 0.182 nan 8.370 nan 0.000 0.504 134 G N 0.604 109.371 108.800 -0.055 0.000 2.182 134 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.248 134 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.248 134 G C -0.145 174.727 174.900 -0.046 0.000 1.042 134 G CA -0.172 44.899 45.100 -0.048 0.000 0.775 134 G HN 0.433 nan 8.290 nan 0.000 0.501 135 K N -0.293 120.054 120.400 -0.088 0.000 2.234 135 K HA 0.586 4.906 4.320 -0.000 0.000 0.277 135 K C -0.187 176.377 176.600 -0.059 0.000 1.038 135 K CA -0.732 55.485 56.287 -0.117 0.000 0.888 135 K CB 1.207 33.485 32.500 -0.371 0.000 1.091 135 K HN 0.132 nan 8.250 nan 0.000 0.467 136 I N 3.536 124.117 120.570 0.018 0.000 2.377 136 I HA 0.210 4.379 4.170 -0.000 0.000 0.293 136 I C -0.822 175.302 176.117 0.010 0.000 0.987 136 I CA -0.682 60.618 61.300 -0.001 0.000 1.185 136 I CB 1.364 39.356 38.000 -0.013 0.000 1.341 136 I HN 0.363 nan 8.210 nan 0.000 0.455 137 L N 9.827 131.032 121.223 -0.031 0.000 2.316 137 L HA 0.684 5.024 4.340 -0.000 0.000 0.280 137 L C -2.503 174.275 176.870 -0.152 0.000 1.006 137 L CA -1.877 52.919 54.840 -0.073 0.000 0.836 137 L CB 0.993 43.051 42.059 -0.002 0.000 1.221 137 L HN 0.312 nan 8.230 nan 0.000 0.418 138 P HA 0.315 nan 4.420 nan 0.000 0.272 138 P C -0.121 177.088 177.300 -0.153 0.000 1.254 138 P CA -0.171 62.758 63.100 -0.286 0.000 0.795 138 P CB 0.496 31.951 31.700 -0.407 0.000 1.022 139 T N -3.628 110.891 114.554 -0.060 0.000 2.507 139 T HA 0.083 4.432 4.350 -0.000 0.000 0.180 139 T C 1.267 176.044 174.700 0.128 0.000 0.681 139 T CA 0.926 62.992 62.100 -0.056 0.000 1.959 139 T CB -1.330 67.264 68.868 -0.456 0.000 2.896 139 T HN 0.425 nan 8.240 nan 0.000 0.391 140 T N -1.260 113.298 114.554 0.007 0.000 3.086 140 T HA 0.514 4.863 4.350 -0.000 0.000 0.250 140 T C 0.670 175.432 174.700 0.104 0.000 1.074 140 T CA -0.052 62.107 62.100 0.098 0.000 0.988 140 T CB -0.222 68.706 68.868 0.099 0.000 0.988 140 T HN 0.887 nan 8.240 nan 0.000 0.530 141 G N -0.287 108.578 108.800 0.109 0.000 2.731 141 G HA2 0.536 4.496 3.960 -0.000 0.000 0.298 141 G HA3 0.536 4.496 3.960 -0.000 0.000 0.298 141 G C -0.039 174.938 174.900 0.129 0.000 1.424 141 G CA -0.557 44.630 45.100 0.145 0.000 1.029 141 G HN 0.032 nan 8.290 nan 0.000 0.518 142 V N 1.944 121.923 119.914 0.109 0.000 2.490 142 V HA 0.403 4.523 4.120 -0.000 0.000 0.238 142 V C 2.449 178.594 176.094 0.086 0.000 1.056 142 V CA 1.893 64.233 62.300 0.066 0.000 1.075 142 V CB -0.937 30.903 31.823 0.028 0.000 0.746 142 V HN 1.627 nan 8.190 nan 0.000 0.479 143 G N 1.871 110.718 108.800 0.078 0.000 2.602 143 G HA2 -0.362 3.597 3.960 -0.000 0.000 0.310 143 G HA3 -0.362 3.597 3.960 -0.000 0.000 0.310 143 G C 0.687 175.648 174.900 0.101 0.000 1.183 143 G CA 0.794 46.002 45.100 0.179 0.000 0.979 143 G HN 1.098 nan 8.290 nan 0.000 0.545 144 I N -0.504 120.140 120.570 0.122 0.000 3.877 144 I HA 0.602 4.772 4.170 -0.000 0.000 0.332 144 I C 1.911 178.058 176.117 0.050 0.000 1.525 144 I CA 0.185 61.529 61.300 0.074 0.000 1.146 144 I CB 0.291 38.337 38.000 0.077 0.000 1.137 144 I HN 0.491 nan 8.210 nan 0.000 0.424 145 L N 3.604 124.857 121.223 0.051 0.000 1.976 145 L HA -0.098 4.242 4.340 -0.000 0.000 0.223 145 L C -0.464 176.409 176.870 0.004 0.000 1.081 145 L CA 2.788 57.643 54.840 0.026 0.000 0.784 145 L CB -1.534 40.531 42.059 0.010 0.000 0.896 145 L HN 0.218 nan 8.230 nan 0.000 0.438 146 P HA -0.146 nan 4.420 nan 0.000 0.217 146 P C 1.422 178.716 177.300 -0.010 0.000 1.148 146 P CA 2.116 65.212 63.100 -0.007 0.000 0.828 146 P CB -0.284 31.413 31.700 -0.005 0.000 0.783 147 T N 1.213 115.760 114.554 -0.012 0.000 2.851 147 T HA -0.044 4.306 4.350 -0.000 0.000 0.262 147 T C 1.964 176.639 174.700 -0.042 0.000 1.043 147 T CA 1.255 63.335 62.100 -0.034 0.000 1.140 147 T CB -0.760 68.077 68.868 -0.052 0.000 0.872 147 T HN 0.249 nan 8.240 nan 0.000 0.446 148 I N -0.505 120.047 120.570 -0.030 0.000 2.493 148 I HA -0.054 4.115 4.170 -0.000 0.000 0.254 148 I C 2.213 178.311 176.117 -0.031 0.000 1.160 148 I CA 0.925 62.205 61.300 -0.033 0.000 1.445 148 I CB -0.974 37.019 38.000 -0.012 0.000 1.086 148 I HN 0.182 nan 8.210 nan 0.000 0.433 149 C N 0.949 120.234 119.300 -0.025 0.000 2.450 149 C HA -0.006 4.454 4.460 -0.000 0.000 0.279 149 C C 2.995 177.971 174.990 -0.023 0.000 1.335 149 C CA 0.694 59.697 59.018 -0.026 0.000 1.749 149 C CB -1.164 26.564 27.740 -0.021 0.000 1.963 149 C HN 0.548 nan 8.230 nan 0.000 0.501 150 R N 0.393 120.881 120.500 -0.021 0.000 2.062 150 R HA -0.035 4.305 4.340 -0.000 0.000 0.226 150 R C 1.733 178.022 176.300 -0.019 0.000 1.125 150 R CA 1.337 57.427 56.100 -0.018 0.000 0.966 150 R CB -0.248 30.041 30.300 -0.018 0.000 0.861 150 R HN 0.300 nan 8.270 nan 0.000 0.433 151 L N 1.060 122.267 121.223 -0.027 0.000 2.341 151 L HA 0.215 4.555 4.340 -0.000 0.000 0.214 151 L C 0.948 177.812 176.870 -0.010 0.000 1.115 151 L CA 0.800 55.626 54.840 -0.023 0.000 0.820 151 L CB -0.805 41.227 42.059 -0.044 0.000 0.944 151 L HN 0.124 nan 8.230 nan 0.000 0.452 152 A N -0.521 122.290 122.820 -0.015 0.000 2.462 152 A HA 0.104 4.424 4.320 -0.000 0.000 0.243 152 A C 1.042 178.625 177.584 -0.003 0.000 1.076 152 A CA -0.197 51.836 52.037 -0.008 0.000 0.773 152 A CB 0.104 19.088 19.000 -0.027 0.000 1.010 152 A HN 0.219 nan 8.150 nan 0.000 0.493 153 D N 0.391 120.798 120.400 0.011 0.000 2.149 153 D HA -0.012 4.628 4.640 -0.000 0.000 0.201 153 D C 0.775 177.079 176.300 0.007 0.000 0.972 153 D CA 1.438 55.449 54.000 0.019 0.000 0.835 153 D CB 0.121 40.945 40.800 0.041 0.000 0.966 153 D HN 0.757 nan 8.370 nan 0.000 0.476 154 R N -0.371 120.126 120.500 -0.006 0.000 2.740 154 R HA 0.678 5.018 4.340 -0.000 0.000 0.273 154 R C -1.047 175.206 176.300 -0.079 0.000 0.998 154 R CA -0.702 55.373 56.100 -0.042 0.000 0.900 154 R CB 1.511 31.797 30.300 -0.023 0.000 1.223 154 R HN -0.178 nan 8.270 nan 0.000 0.466 155 I N 2.663 123.161 120.570 -0.119 0.000 2.465 155 I HA 0.414 4.584 4.170 -0.000 0.000 0.291 155 I C -0.343 175.666 176.117 -0.180 0.000 1.014 155 I CA -1.080 60.144 61.300 -0.126 0.000 1.093 155 I CB 2.224 40.163 38.000 -0.100 0.000 1.267 155 I HN 0.471 nan 8.210 nan 0.000 0.431 156 I N 6.565 127.041 120.570 -0.157 0.000 2.359 156 I HA 0.311 4.481 4.170 -0.000 0.000 0.284 156 I C -0.350 175.700 176.117 -0.111 0.000 1.018 156 I CA -0.682 60.518 61.300 -0.165 0.000 1.173 156 I CB 1.477 39.403 38.000 -0.123 0.000 1.326 156 I HN 0.199 nan 8.210 nan 0.000 0.462 157 V N 5.752 125.590 119.914 -0.127 0.000 2.644 157 V HA 0.298 4.418 4.120 -0.000 0.000 0.295 157 V C 0.081 176.138 176.094 -0.062 0.000 1.053 157 V CA -0.527 61.718 62.300 -0.092 0.000 0.987 157 V CB 1.742 33.495 31.823 -0.116 0.000 1.006 157 V HN 0.692 nan 8.190 nan 0.000 0.472 158 E N 3.116 123.303 120.200 -0.022 0.000 2.235 158 E HA 0.386 4.736 4.350 -0.000 0.000 0.252 158 E C -1.200 175.417 176.600 0.028 0.000 0.886 158 E CA -0.489 55.918 56.400 0.012 0.000 0.767 158 E CB 1.416 31.134 29.700 0.029 0.000 1.205 158 E HN 0.628 nan 8.360 nan 0.000 0.421 159 L N 5.079 126.332 121.223 0.050 0.000 2.334 159 L HA 0.270 4.610 4.340 -0.000 0.000 0.286 159 L C -0.293 176.632 176.870 0.092 0.000 1.108 159 L CA -0.314 54.570 54.840 0.074 0.000 0.875 159 L CB 0.267 42.396 42.059 0.117 0.000 1.246 159 L HN 0.486 nan 8.230 nan 0.000 0.439 160 N N 3.064 121.826 118.700 0.104 0.000 2.458 160 N HA -0.029 4.711 4.740 -0.000 0.000 0.270 160 N C 0.652 176.243 175.510 0.135 0.000 1.102 160 N CA -0.003 53.134 53.050 0.145 0.000 0.967 160 N CB 1.209 39.845 38.487 0.248 0.000 1.078 160 N HN 0.548 nan 8.380 nan 0.000 0.471 161 D N 2.472 122.927 120.400 0.092 0.000 2.123 161 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 161 D C 0.923 177.237 176.300 0.023 0.000 0.992 161 D CA 1.193 55.223 54.000 0.050 0.000 0.833 161 D CB 0.497 41.316 40.800 0.033 0.000 0.954 161 D HN 0.458 nan 8.370 nan 0.000 0.455 162 K N 0.417 120.821 120.400 0.007 0.000 2.442 162 K HA -0.071 4.249 4.320 -0.000 0.000 0.198 162 K C 0.131 176.575 176.600 -0.260 0.000 1.044 162 K CA 0.515 56.733 56.287 -0.115 0.000 0.948 162 K CB -0.528 31.870 32.500 -0.169 0.000 0.762 162 K HN 0.393 nan 8.250 nan 0.000 0.472 163 H N 0.904 119.991 119.070 0.029 0.000 2.595 163 H HA 0.204 4.760 4.556 -0.000 0.000 0.313 163 H C -2.271 172.956 175.328 -0.168 0.000 1.023 163 H CA -2.010 53.994 56.048 -0.074 0.000 1.218 163 H CB 1.061 30.847 29.762 0.041 0.000 1.403 163 H HN -0.032 nan 8.280 nan 0.000 0.477 164 P HA 0.029 nan 4.420 nan 0.000 0.275 164 P C 0.086 177.316 177.300 -0.117 0.000 1.227 164 P CA -0.671 62.316 63.100 -0.189 0.000 0.781 164 P CB 1.509 33.048 31.700 -0.268 0.000 0.906 165 K N 1.335 121.706 120.400 -0.048 0.000 2.555 165 K HA -0.080 4.240 4.320 -0.000 0.000 0.193 165 K C 0.698 177.295 176.600 -0.005 0.000 1.032 165 K CA 0.995 57.276 56.287 -0.009 0.000 1.004 165 K CB -0.234 32.266 32.500 0.000 0.000 0.804 165 K HN 0.225 nan 8.250 nan 0.000 0.496 166 E N 0.864 121.042 120.200 -0.036 0.000 2.478 166 E HA 0.031 4.381 4.350 -0.000 0.000 0.198 166 E C 0.618 177.219 176.600 0.002 0.000 1.046 166 E CA 0.235 56.627 56.400 -0.014 0.000 0.870 166 E CB 0.038 29.723 29.700 -0.024 0.000 0.818 166 E HN 0.233 nan 8.360 nan 0.000 0.527 172 D N 1.875 122.310 120.400 0.058 0.000 2.375 172 D HA 0.274 4.914 4.640 -0.000 0.000 0.259 172 D C -1.203 175.026 176.300 -0.118 0.000 1.235 172 D CA -0.468 53.502 54.000 -0.050 0.000 0.924 172 D CB 0.602 41.364 40.800 -0.064 0.000 1.143 172 D HN 0.298 nan 8.370 nan 0.000 0.529 173 L N 3.327 124.472 121.223 -0.131 0.000 2.309 173 L HA 0.702 5.042 4.340 -0.000 0.000 0.282 173 L C 0.474 177.228 176.870 -0.195 0.000 1.036 173 L CA -0.755 53.995 54.840 -0.150 0.000 0.806 173 L CB 0.322 42.309 42.059 -0.120 0.000 1.220 173 L HN 0.760 nan 8.230 nan 0.000 0.429 174 C N 0.906 120.103 119.300 -0.172 0.000 3.056 174 C HA 0.635 5.095 4.460 -0.000 0.000 0.336 174 C C -1.011 174.002 174.990 0.039 0.000 1.356 174 C CA -0.976 57.970 59.018 -0.119 0.000 1.216 174 C CB 1.762 29.393 27.740 -0.182 0.000 1.391 174 C HN 0.890 nan 8.230 nan 0.000 0.445 175 E N 0.983 121.240 120.200 0.095 0.000 2.356 175 E HA 0.756 5.106 4.350 -0.000 0.000 0.275 175 E C -2.750 173.941 176.600 0.152 0.000 0.904 175 E CA -1.052 55.451 56.400 0.172 0.000 0.757 175 E CB 2.774 32.513 29.700 0.064 0.000 1.232 175 E HN 0.765 nan 8.360 nan 0.000 0.442 176 P HA 0.325 nan 4.420 nan 0.000 0.283 176 P C -0.706 176.621 177.300 0.046 0.000 1.271 176 P CA -0.739 62.417 63.100 0.094 0.000 0.841 176 P CB 0.941 32.676 31.700 0.060 0.000 1.122 177 L N 1.242 122.489 121.223 0.041 0.000 2.474 177 L HA 0.182 4.522 4.340 -0.000 0.000 0.259 177 L C 0.831 177.727 176.870 0.043 0.000 1.232 177 L CA 0.904 55.764 54.840 0.034 0.000 0.821 177 L CB -0.694 41.381 42.059 0.027 0.000 1.108 177 L HN 0.364 nan 8.230 nan 0.000 0.495 178 D N 0.948 121.381 120.400 0.054 0.000 2.299 178 D HA 0.390 5.030 4.640 -0.000 0.000 0.243 178 D C -2.333 173.991 176.300 0.039 0.000 0.982 178 D CA -1.277 52.782 54.000 0.099 0.000 0.924 178 D CB 1.206 42.114 40.800 0.179 0.000 1.238 178 D HN 0.269 nan 8.370 nan 0.000 0.484 179 P HA 0.052 nan 4.420 nan 0.000 0.266 179 P C -1.801 175.465 177.300 -0.057 0.000 1.193 179 P CA -0.676 62.401 63.100 -0.038 0.000 0.770 179 P CB -0.109 31.546 31.700 -0.077 0.000 0.836 180 P HA 0.147 nan 4.420 nan 0.000 0.255 180 P C 0.496 177.789 177.300 -0.011 0.000 1.357 180 P CA 0.150 63.233 63.100 -0.027 0.000 0.839 180 P CB -0.063 31.621 31.700 -0.027 0.000 1.356 181 A N -0.176 122.641 122.820 -0.004 0.000 2.348 181 A HA 0.134 4.454 4.320 -0.000 0.000 0.224 181 A C 1.189 178.780 177.584 0.012 0.000 1.227 181 A CA -0.378 51.662 52.037 0.004 0.000 0.885 181 A CB -0.399 18.604 19.000 0.006 0.000 0.933 181 A HN 0.112 nan 8.150 nan 0.000 0.506 182 R N 1.071 121.580 120.500 0.015 0.000 2.537 182 R HA 0.200 4.540 4.340 -0.000 0.000 0.280 182 R C -0.087 176.224 176.300 0.019 0.000 1.058 182 R CA -0.015 56.098 56.100 0.021 0.000 1.057 182 R CB 0.397 30.712 30.300 0.024 0.000 0.973 182 R HN 0.242 nan 8.270 nan 0.000 0.438 183 R N 1.815 122.330 120.500 0.025 0.000 2.843 183 R HA 0.167 4.507 4.340 -0.000 0.000 0.232 183 R C -0.190 176.128 176.300 0.030 0.000 1.305 183 R CA -0.748 55.369 56.100 0.029 0.000 1.096 183 R CB 0.231 30.552 30.300 0.035 0.000 1.455 183 R HN 0.750 nan 8.270 nan 0.000 0.520 184 E N 1.399 121.621 120.200 0.038 0.000 2.374 184 E HA 0.078 4.428 4.350 -0.000 0.000 0.260 184 E C -0.596 176.023 176.600 0.031 0.000 1.101 184 E CA -0.148 56.271 56.400 0.032 0.000 0.907 184 E CB 0.516 30.251 29.700 0.057 0.000 1.014 184 E HN 0.388 nan 8.360 nan 0.000 0.427 185 L N 2.911 124.135 121.223 0.002 0.000 2.270 185 L HA 0.236 4.576 4.340 -0.000 0.000 0.286 185 L C -1.654 175.156 176.870 -0.100 0.000 1.059 185 L CA -1.972 52.888 54.840 0.034 0.000 0.839 185 L CB 0.778 42.868 42.059 0.053 0.000 1.221 185 L HN 0.338 nan 8.230 nan 0.000 0.431 186 P HA -0.080 nan 4.420 nan 0.000 0.272 186 P C -0.147 176.896 177.300 -0.429 0.000 1.542 186 P CA 0.472 63.451 63.100 -0.202 0.000 0.846 186 P CB 0.037 31.783 31.700 0.076 0.000 1.782 187 V N 1.007 120.552 119.914 -0.616 0.000 2.378 187 V HA 0.282 4.402 4.120 -0.000 0.000 0.288 187 V C -0.279 175.412 176.094 -0.673 0.000 1.016 187 V CA -0.582 61.458 62.300 -0.434 0.000 0.840 187 V CB 0.739 32.472 31.823 -0.150 0.000 0.994 187 V HN 0.027 nan 8.190 nan 0.000 0.431 188 Y N 3.135 123.407 120.300 -0.047 0.000 2.500 188 Y HA 0.475 5.025 4.550 -0.000 0.000 0.246 188 Y C 0.995 176.848 175.900 -0.079 0.000 1.146 188 Y CA -0.239 57.825 58.100 -0.060 0.000 1.230 188 Y CB 0.903 39.338 38.460 -0.042 0.000 1.214 188 Y HN 0.575 nan 8.280 nan 0.000 0.526 189 T N 1.704 116.257 114.554 -0.002 0.000 2.916 189 T HA 0.195 4.545 4.350 -0.000 0.000 0.305 189 T C -2.146 172.514 174.700 -0.067 0.000 1.119 189 T CA -1.362 60.713 62.100 -0.043 0.000 1.008 189 T CB 2.355 71.195 68.868 -0.046 0.000 1.129 189 T HN -0.251 nan 8.240 nan 0.000 0.480 190 P HA -0.042 nan 4.420 nan 0.000 0.228 190 P C 0.917 178.301 177.300 0.140 0.000 1.151 190 P CA 0.718 63.929 63.100 0.185 0.000 0.770 190 P CB 0.102 32.013 31.700 0.352 0.000 0.786 191 S N -2.478 113.024 115.700 -0.330 0.000 2.568 191 S HA 0.131 4.601 4.470 -0.000 0.000 0.232 191 S C 0.311 174.749 174.600 -0.270 0.000 0.975 191 S CA -0.605 57.140 58.200 -0.759 0.000 0.949 191 S CB -0.588 61.686 63.200 -1.544 0.000 0.829 191 S HN -0.116 nan 8.310 nan 0.000 0.479 192 D N 2.964 123.302 120.400 -0.103 0.000 2.351 192 D HA 0.254 4.894 4.640 -0.000 0.000 0.251 192 D C 0.066 176.355 176.300 -0.017 0.000 1.137 192 D CA 0.164 54.137 54.000 -0.046 0.000 0.879 192 D CB 0.648 41.440 40.800 -0.013 0.000 1.181 192 D HN 0.280 nan 8.370 nan 0.000 0.448 193 R N 2.248 122.735 120.500 -0.022 0.000 2.312 193 R HA 0.410 4.749 4.340 -0.000 0.000 0.311 193 R C 0.869 177.141 176.300 -0.046 0.000 1.004 193 R CA -0.330 55.752 56.100 -0.030 0.000 0.902 193 R CB 1.263 31.550 30.300 -0.021 0.000 1.073 193 R HN 0.546 nan 8.270 nan 0.000 0.457 194 I N -2.000 118.517 120.570 -0.089 0.000 4.338 194 I HA 0.392 4.562 4.170 -0.000 0.000 0.329 194 I C 0.484 176.521 176.117 -0.133 0.000 1.378 194 I CA -0.303 60.939 61.300 -0.096 0.000 1.170 194 I CB 1.140 39.079 38.000 -0.102 0.000 1.206 194 I HN 0.562 nan 8.210 nan 0.000 0.432 195 G N 1.315 110.018 108.800 -0.162 0.000 3.252 195 G HA2 0.562 4.522 3.960 -0.000 0.000 0.181 195 G HA3 0.562 4.522 3.960 -0.000 0.000 0.181 195 G C -1.129 173.668 174.900 -0.172 0.000 1.187 195 G CA -0.661 44.331 45.100 -0.180 0.000 0.886 195 G HN 0.041 nan 8.290 nan 0.000 0.615 196 K N 0.622 120.879 120.400 -0.238 0.000 2.281 196 K HA 0.397 4.717 4.320 -0.000 0.000 0.242 196 K C -2.024 174.412 176.600 -0.274 0.000 0.971 196 K CA -1.692 54.395 56.287 -0.335 0.000 0.834 196 K CB 2.989 35.094 32.500 -0.658 0.000 1.181 196 K HN 0.150 nan 8.250 nan 0.000 0.435 197 P HA -0.011 nan 4.420 nan 0.000 0.255 197 P C -1.298 176.061 177.300 0.098 0.000 1.357 197 P CA 0.487 63.604 63.100 0.029 0.000 0.839 197 P CB -0.113 31.663 31.700 0.127 0.000 1.356 198 Y N -3.611 116.682 120.300 -0.012 0.000 2.713 198 Y HA 0.557 5.107 4.550 -0.000 0.000 0.335 198 Y C -1.840 174.030 175.900 -0.050 0.000 1.222 198 Y CA -1.974 56.096 58.100 -0.049 0.000 1.061 198 Y CB 0.614 39.055 38.460 -0.032 0.000 1.314 198 Y HN -0.230 nan 8.280 nan 0.000 0.453 199 V N 2.144 122.162 119.914 0.173 0.000 2.459 199 V HA 0.619 4.739 4.120 -0.000 0.000 0.295 199 V C -1.073 175.153 176.094 0.221 0.000 1.029 199 V CA -0.369 61.988 62.300 0.094 0.000 0.874 199 V CB 1.462 33.293 31.823 0.013 0.000 0.985 199 V HN 0.972 nan 8.190 nan 0.000 0.438 200 Q N 4.980 124.895 119.800 0.191 0.000 2.278 200 Q HA 0.681 5.021 4.340 -0.000 0.000 0.257 200 Q C -0.749 175.290 176.000 0.065 0.000 0.928 200 Q CA -0.154 55.748 55.803 0.165 0.000 0.932 200 Q CB 1.711 30.574 28.738 0.207 0.000 1.221 200 Q HN 1.123 nan 8.270 nan 0.000 0.434 201 V N 0.264 120.198 119.914 0.033 0.000 3.141 201 V HA 0.615 4.735 4.120 -0.000 0.000 0.312 201 V C -0.814 175.277 176.094 -0.004 0.000 1.157 201 V CA -1.160 61.144 62.300 0.006 0.000 1.041 201 V CB 2.066 33.883 31.823 -0.011 0.000 1.071 201 V HN 0.766 nan 8.190 nan 0.000 0.441 202 D N 2.832 123.225 120.400 -0.010 0.000 2.325 202 D HA 0.351 4.990 4.640 -0.000 0.000 0.251 202 D C -1.326 174.957 176.300 -0.028 0.000 1.196 202 D CA -1.915 52.077 54.000 -0.014 0.000 0.866 202 D CB 1.901 42.694 40.800 -0.011 0.000 1.101 202 D HN 0.501 nan 8.370 nan 0.000 0.476 203 P HA -0.182 nan 4.420 nan 0.000 0.220 203 P C 0.957 178.227 177.300 -0.050 0.000 1.144 203 P CA 0.789 63.861 63.100 -0.047 0.000 0.800 203 P CB 0.182 31.857 31.700 -0.042 0.000 0.772 204 A N 0.392 123.191 122.820 -0.035 0.000 2.067 204 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 204 A C 2.140 179.700 177.584 -0.039 0.000 1.158 204 A CA 1.253 53.272 52.037 -0.030 0.000 0.661 204 A CB -0.870 18.121 19.000 -0.014 0.000 0.801 204 A HN 0.218 nan 8.150 nan 0.000 0.452 205 K N -0.294 120.078 120.400 -0.046 0.000 2.365 205 K HA 0.109 4.429 4.320 -0.000 0.000 0.197 205 K C -0.201 176.339 176.600 -0.099 0.000 1.042 205 K CA 0.127 56.380 56.287 -0.056 0.000 0.987 205 K CB 0.078 32.552 32.500 -0.044 0.000 0.779 205 K HN 0.344 nan 8.250 nan 0.000 0.484 206 I N 3.024 123.525 120.570 -0.115 0.000 2.389 206 I HA -0.060 4.110 4.170 -0.000 0.000 0.295 206 I C 1.501 177.482 176.117 -0.227 0.000 1.117 206 I CA 0.270 61.469 61.300 -0.168 0.000 1.317 206 I CB 0.149 38.052 38.000 -0.161 0.000 1.431 206 I HN -0.096 nan 8.210 nan 0.000 0.521 207 V N 3.658 123.366 119.914 -0.343 0.000 3.141 207 V HA 0.406 4.526 4.120 -0.000 0.000 0.265 207 V C 0.851 176.628 176.094 -0.529 0.000 1.126 207 V CA 0.841 62.814 62.300 -0.546 0.000 1.141 207 V CB -0.712 30.409 31.823 -1.169 0.000 0.743 207 V HN 0.868 nan 8.190 nan 0.000 0.492 208 G N -1.354 107.209 108.800 -0.395 0.000 2.404 208 G HA2 0.473 4.432 3.960 -0.000 0.000 0.298 208 G HA3 0.473 4.432 3.960 -0.000 0.000 0.298 208 G C -1.682 173.040 174.900 -0.296 0.000 1.577 208 G CA -0.116 44.798 45.100 -0.309 0.000 0.847 208 G HN 0.389 nan 8.290 nan 0.000 0.598 209 V N 0.996 120.689 119.914 -0.367 0.000 2.376 209 V HA 0.519 4.639 4.120 -0.000 0.000 0.287 209 V C 0.077 176.073 176.094 -0.162 0.000 1.015 209 V CA -0.735 61.341 62.300 -0.374 0.000 0.834 209 V CB 1.402 32.766 31.823 -0.765 0.000 1.001 209 V HN 0.708 nan 8.190 nan 0.000 0.428 210 V N 5.930 125.821 119.914 -0.039 0.000 2.383 210 V HA 0.429 4.548 4.120 -0.000 0.000 0.275 210 V C 0.550 176.704 176.094 0.099 0.000 1.036 210 V CA -0.718 61.615 62.300 0.055 0.000 0.889 210 V CB 1.175 33.021 31.823 0.038 0.000 0.985 210 V HN 0.764 nan 8.190 nan 0.000 0.459 211 R N 3.172 123.766 120.500 0.156 0.000 2.340 211 R HA 0.551 4.890 4.340 -0.000 0.000 0.300 211 R C 0.297 176.650 176.300 0.090 0.000 1.069 211 R CA -0.115 56.069 56.100 0.139 0.000 0.984 211 R CB 1.239 31.622 30.300 0.139 0.000 1.003 211 R HN 0.923 nan 8.270 nan 0.000 0.459 212 T N -2.106 112.496 114.554 0.081 0.000 2.838 212 T HA 0.427 4.777 4.350 -0.000 0.000 0.292 212 T C -0.463 174.277 174.700 0.067 0.000 1.113 212 T CA -0.829 61.312 62.100 0.068 0.000 1.008 212 T CB 2.055 70.965 68.868 0.069 0.000 1.259 212 T HN 0.320 nan 8.240 nan 0.000 0.520 213 S N 0.776 116.511 115.700 0.059 0.000 2.381 213 S HA 0.372 4.842 4.470 -0.000 0.000 0.193 213 S C -1.546 173.084 174.600 0.050 0.000 1.287 213 S CA -0.578 57.653 58.200 0.051 0.000 1.199 213 S CB 0.046 63.265 63.200 0.033 0.000 1.214 213 S HN 0.622 nan 8.310 nan 0.000 0.444 214 E N 4.736 124.980 120.200 0.073 0.000 2.145 214 E HA 0.418 4.767 4.350 -0.000 0.000 0.262 214 E C -2.638 174.006 176.600 0.073 0.000 0.883 214 E CA -2.069 54.373 56.400 0.071 0.000 0.748 214 E CB 1.893 31.645 29.700 0.087 0.000 1.140 214 E HN 0.423 nan 8.360 nan 0.000 0.417 215 P HA 0.197 nan 4.420 nan 0.000 0.278 215 P C -0.336 176.981 177.300 0.028 0.000 1.258 215 P CA -0.682 62.423 63.100 0.008 0.000 0.811 215 P CB 1.003 32.700 31.700 -0.005 0.000 1.063 216 N N 0.350 119.056 118.700 0.010 0.000 2.482 216 N HA 0.116 4.856 4.740 -0.000 0.000 0.260 216 N C -0.254 175.258 175.510 0.003 0.000 1.236 216 N CA 0.263 53.325 53.050 0.020 0.000 0.938 216 N CB -0.221 38.261 38.487 -0.009 0.000 1.128 216 N HN 0.347 nan 8.380 nan 0.000 0.448 217 D N -0.022 120.382 120.400 0.006 0.000 2.371 217 D HA 0.143 4.782 4.640 -0.000 0.000 0.242 217 D C 0.161 176.456 176.300 -0.008 0.000 1.218 217 D CA 0.064 54.064 54.000 0.001 0.000 0.945 217 D CB 0.602 41.404 40.800 0.003 0.000 1.137 217 D HN 0.410 nan 8.370 nan 0.000 0.464 218 E N -0.413 119.784 120.200 -0.006 0.000 2.250 218 E HA 0.359 4.709 4.350 -0.000 0.000 0.265 218 E C -0.862 175.737 176.600 -0.002 0.000 1.033 218 E CA -0.856 55.539 56.400 -0.009 0.000 0.888 218 E CB 0.841 30.538 29.700 -0.006 0.000 1.151 218 E HN 0.333 nan 8.360 nan 0.000 0.412 219 S N 2.147 117.845 115.700 -0.003 0.000 2.525 219 S HA 0.190 4.660 4.470 -0.000 0.000 0.285 219 S C -0.615 174.000 174.600 0.025 0.000 1.283 219 S CA -0.557 57.645 58.200 0.003 0.000 1.072 219 S CB 0.244 63.442 63.200 -0.003 0.000 0.867 219 S HN 0.372 nan 8.310 nan 0.000 0.492 220 D N 2.176 122.597 120.400 0.035 0.000 2.308 220 D HA 0.324 4.964 4.640 -0.000 0.000 0.242 220 D C -0.045 176.332 176.300 0.128 0.000 1.059 220 D CA -0.660 53.387 54.000 0.079 0.000 0.830 220 D CB 0.632 41.473 40.800 0.068 0.000 1.161 220 D HN 0.548 nan 8.370 nan 0.000 0.494 221 F N 2.327 122.271 119.950 -0.010 0.000 1.891 221 F HA -0.222 4.305 4.527 -0.000 0.000 0.205 221 F C -0.563 175.233 175.800 -0.007 0.000 0.957 221 F CA -0.305 57.690 58.000 -0.008 0.000 0.612 221 F CB -0.181 38.814 39.000 -0.008 0.000 0.630 221 F HN 0.373 nan 8.300 nan 0.000 0.712 222 A N 8.460 131.063 122.820 -0.361 0.000 3.159 222 A HA 0.520 4.840 4.320 -0.000 0.000 0.330 222 A C -2.138 175.191 177.584 -0.425 0.000 1.032 222 A CA -0.781 51.005 52.037 -0.417 0.000 0.841 222 A CB -0.281 18.615 19.000 -0.174 0.000 1.093 222 A HN 0.561 nan 8.150 nan 0.000 0.478 223 P HA 0.301 nan 4.420 nan 0.000 0.269 223 P C -0.433 176.749 177.300 -0.196 0.000 1.215 223 P CA -0.238 62.656 63.100 -0.343 0.000 0.780 223 P CB 0.959 32.450 31.700 -0.348 0.000 0.898 224 L N 1.920 123.092 121.223 -0.086 0.000 2.439 224 L HA 0.375 4.715 4.340 -0.000 0.000 0.261 224 L C 0.221 177.062 176.870 -0.048 0.000 1.153 224 L CA 0.475 55.279 54.840 -0.060 0.000 0.808 224 L CB 0.417 42.457 42.059 -0.030 0.000 1.126 224 L HN 0.528 nan 8.230 nan 0.000 0.460 225 D N 2.689 123.062 120.400 -0.045 0.000 2.936 225 D HA 0.378 5.018 4.640 -0.000 0.000 0.238 225 D C -2.059 174.218 176.300 -0.039 0.000 1.248 225 D CA -1.411 52.567 54.000 -0.036 0.000 0.903 225 D CB 2.158 42.933 40.800 -0.042 0.000 1.544 225 D HN 0.185 nan 8.370 nan 0.000 0.543 226 P HA -0.192 nan 4.420 nan 0.000 0.216 226 P C 1.453 178.705 177.300 -0.079 0.000 1.150 226 P CA 0.679 63.748 63.100 -0.051 0.000 0.843 226 P CB 0.348 32.021 31.700 -0.045 0.000 0.787 227 V N 0.835 120.700 119.914 -0.082 0.000 2.343 227 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 227 V C 2.958 179.000 176.094 -0.086 0.000 1.051 227 V CA 2.714 64.947 62.300 -0.111 0.000 1.036 227 V CB -1.971 29.802 31.823 -0.083 0.000 0.654 227 V HN 0.329 nan 8.190 nan 0.000 0.451 228 T N -3.008 111.511 114.554 -0.057 0.000 2.951 228 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 228 T C 1.810 176.486 174.700 -0.039 0.000 1.073 228 T CA 0.801 62.875 62.100 -0.043 0.000 1.134 228 T CB -0.176 68.670 68.868 -0.038 0.000 0.884 228 T HN 0.358 nan 8.240 nan 0.000 0.479 229 Q N 1.228 121.002 119.800 -0.044 0.000 2.084 229 Q HA 0.092 4.432 4.340 -0.000 0.000 0.202 229 Q C 2.794 178.771 176.000 -0.038 0.000 0.978 229 Q CA 1.793 57.575 55.803 -0.034 0.000 0.844 229 Q CB -0.929 27.789 28.738 -0.034 0.000 0.898 229 Q HN 0.722 nan 8.270 nan 0.000 0.426 230 A N 1.093 123.876 122.820 -0.062 0.000 1.858 230 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 230 A C 2.218 179.772 177.584 -0.051 0.000 1.190 230 A CA 1.284 53.276 52.037 -0.074 0.000 0.617 230 A CB -0.816 18.097 19.000 -0.144 0.000 0.827 230 A HN 0.304 nan 8.150 nan 0.000 0.443 231 I N -0.274 120.265 120.570 -0.052 0.000 2.118 231 I HA -0.270 3.900 4.170 -0.000 0.000 0.241 231 I C 2.729 178.845 176.117 -0.003 0.000 1.070 231 I CA 1.353 62.639 61.300 -0.022 0.000 1.327 231 I CB -0.738 37.253 38.000 -0.015 0.000 1.034 231 I HN 0.427 nan 8.210 nan 0.000 0.405 232 G N 0.035 108.831 108.800 -0.006 0.000 2.442 232 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.219 232 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.219 232 G C 1.259 176.167 174.900 0.014 0.000 1.141 232 G CA 1.389 46.492 45.100 0.005 0.000 0.763 232 G HN 0.411 nan 8.290 nan 0.000 0.554 233 D N 0.310 120.715 120.400 0.008 0.000 2.117 233 D HA -0.094 4.546 4.640 -0.000 0.000 0.198 233 D C 2.333 178.653 176.300 0.033 0.000 0.982 233 D CA 1.029 55.038 54.000 0.015 0.000 0.828 233 D CB -0.043 40.760 40.800 0.005 0.000 0.967 233 D HN 0.120 nan 8.370 nan 0.000 0.464 234 N N -0.064 118.656 118.700 0.033 0.000 2.104 234 N HA -0.134 4.605 4.740 -0.000 0.000 0.190 234 N C 1.952 177.524 175.510 0.103 0.000 1.024 234 N CA 0.850 53.935 53.050 0.058 0.000 0.853 234 N CB -0.498 38.009 38.487 0.033 0.000 1.008 234 N HN 0.166 nan 8.380 nan 0.000 0.424 235 V N 1.604 121.569 119.914 0.084 0.000 2.261 235 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 235 V C 2.481 178.667 176.094 0.153 0.000 1.047 235 V CA 1.944 64.322 62.300 0.130 0.000 1.015 235 V CB -1.138 30.729 31.823 0.073 0.000 0.642 235 V HN 0.313 nan 8.190 nan 0.000 0.446 236 A N 0.017 122.881 122.820 0.073 0.000 1.908 236 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 236 A C 2.399 179.995 177.584 0.020 0.000 1.181 236 A CA 2.333 54.383 52.037 0.023 0.000 0.627 236 A CB -0.869 18.129 19.000 -0.004 0.000 0.818 236 A HN 0.609 nan 8.150 nan 0.000 0.445 237 A N -1.358 121.496 122.820 0.055 0.000 1.969 237 A HA 0.029 4.348 4.320 -0.000 0.000 0.218 237 A C 2.005 179.644 177.584 0.092 0.000 1.169 237 A CA 1.540 53.608 52.037 0.052 0.000 0.635 237 A CB -0.654 18.384 19.000 0.062 0.000 0.810 237 A HN 0.727 nan 8.150 nan 0.000 0.445 238 F N 0.431 120.384 119.950 0.006 0.000 2.075 238 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 238 F C 1.737 177.553 175.800 0.027 0.000 1.113 238 F CA 1.429 59.443 58.000 0.023 0.000 1.218 238 F CB -0.488 38.534 39.000 0.035 0.000 0.984 238 F HN 0.133 nan 8.300 nan 0.000 0.472 239 L N 0.654 121.782 121.223 -0.159 0.000 2.012 239 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 239 L C 2.894 179.630 176.870 -0.224 0.000 1.073 239 L CA 2.062 56.766 54.840 -0.227 0.000 0.748 239 L CB -1.639 40.433 42.059 0.022 0.000 0.891 239 L HN 0.330 nan 8.230 nan 0.000 0.431 240 V N -3.619 116.183 119.914 -0.188 0.000 2.407 240 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 240 V C 2.540 178.549 176.094 -0.141 0.000 1.055 240 V CA 1.971 64.162 62.300 -0.181 0.000 1.049 240 V CB -1.033 30.704 31.823 -0.143 0.000 0.662 240 V HN 0.468 nan 8.190 nan 0.000 0.455 241 S N -0.544 115.075 115.700 -0.134 0.000 2.399 241 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 241 S C 1.246 175.759 174.600 -0.145 0.000 1.022 241 S CA 0.770 58.908 58.200 -0.102 0.000 0.983 241 S CB -0.554 62.621 63.200 -0.043 0.000 0.803 241 S HN 0.785 nan 8.310 nan 0.000 0.480 245 A N 1.763 124.571 122.820 -0.020 0.000 2.169 245 A HA 0.464 4.784 4.320 -0.000 0.000 0.212 245 A C 1.661 179.250 177.584 0.009 0.000 1.153 245 A CA 1.181 53.216 52.037 -0.003 0.000 0.756 245 A CB -0.379 18.618 19.000 -0.005 0.000 0.813 245 A HN 0.996 nan 8.150 nan 0.000 0.471 246 G N -1.019 107.786 108.800 0.010 0.000 2.141 246 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.231 246 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.231 246 G C 0.796 175.727 174.900 0.051 0.000 0.984 246 G CA 0.466 45.582 45.100 0.027 0.000 0.660 246 G HN 0.502 nan 8.290 nan 0.000 0.525 247 R N -0.615 119.915 120.500 0.051 0.000 2.334 247 R HA 0.502 4.842 4.340 -0.000 0.000 0.216 247 R C 0.543 176.953 176.300 0.184 0.000 0.905 247 R CA 0.466 56.626 56.100 0.099 0.000 1.064 247 R CB 0.349 30.691 30.300 0.070 0.000 1.046 247 R HN 0.485 nan 8.270 nan 0.000 0.508 248 I N 1.555 122.187 120.570 0.104 0.000 2.644 248 I HA 0.266 4.436 4.170 -0.000 0.000 0.291 248 I C -2.408 173.719 176.117 0.016 0.000 1.180 248 I CA -2.598 58.729 61.300 0.045 0.000 1.040 248 I CB 2.654 40.659 38.000 0.008 0.000 1.255 248 I HN -0.182 nan 8.210 nan 0.000 0.422 249 P HA 0.060 nan 4.420 nan 0.000 0.265 249 P C 0.079 177.395 177.300 0.026 0.000 1.193 249 P CA -0.223 62.878 63.100 0.002 0.000 0.765 249 P CB 0.995 32.679 31.700 -0.027 0.000 0.823 250 K N 1.532 121.946 120.400 0.025 0.000 2.173 250 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 250 K C 1.108 177.733 176.600 0.042 0.000 1.046 250 K CA 1.611 57.911 56.287 0.022 0.000 0.929 250 K CB -0.415 32.091 32.500 0.011 0.000 0.720 250 K HN 0.460 nan 8.250 nan 0.000 0.453 251 D N -1.023 119.412 120.400 0.059 0.000 2.336 251 D HA 0.057 4.697 4.640 -0.000 0.000 0.229 251 D C 0.255 176.676 176.300 0.202 0.000 1.061 251 D CA 0.126 54.180 54.000 0.091 0.000 0.875 251 D CB -0.063 40.773 40.800 0.061 0.000 0.904 251 D HN 0.150 nan 8.370 nan 0.000 0.525 252 F N -1.167 118.748 119.950 -0.058 0.000 2.183 252 F HA -0.337 4.190 4.527 -0.000 0.000 0.318 252 F C -1.194 174.541 175.800 -0.108 0.000 0.255 252 F CA -0.401 57.548 58.000 -0.085 0.000 0.912 252 F CB -0.322 38.657 39.000 -0.035 0.000 4.135 252 F HN -0.134 nan 8.300 nan 0.000 0.137 253 L N 0.785 121.658 121.223 -0.584 0.000 2.397 253 L HA 0.615 4.955 4.340 -0.000 0.000 0.251 253 L C -2.392 174.193 176.870 -0.474 0.000 1.064 253 L CA -1.884 52.670 54.840 -0.477 0.000 0.859 253 L CB 1.263 42.992 42.059 -0.550 0.000 1.468 253 L HN 0.185 nan 8.230 nan 0.000 0.411 254 P HA 0.357 nan 4.420 nan 0.000 0.271 254 P C -1.038 176.186 177.300 -0.126 0.000 1.218 254 P CA -0.021 63.038 63.100 -0.068 0.000 0.780 254 P CB 0.479 32.194 31.700 0.025 0.000 0.901 255 L N 2.004 123.210 121.223 -0.029 0.000 2.319 255 L HA 0.613 4.953 4.340 -0.000 0.000 0.267 255 L C 0.027 176.882 176.870 -0.024 0.000 1.011 255 L CA -0.767 54.026 54.840 -0.078 0.000 0.818 255 L CB 1.877 43.868 42.059 -0.114 0.000 1.316 255 L HN 0.310 nan 8.230 nan 0.000 0.432 256 Q N 1.942 121.672 119.800 -0.117 0.000 2.289 256 Q HA 0.527 4.867 4.340 -0.000 0.000 0.270 256 Q C -1.688 174.159 176.000 -0.256 0.000 1.038 256 Q CA -0.341 55.306 55.803 -0.259 0.000 0.812 256 Q CB 2.561 30.970 28.738 -0.547 0.000 1.300 256 Q HN 0.782 nan 8.270 nan 0.000 0.427 257 S N 1.561 117.128 115.700 -0.223 0.000 2.588 257 S HA 0.887 5.357 4.470 -0.000 0.000 0.275 257 S C 0.036 174.547 174.600 -0.148 0.000 1.130 257 S CA -0.144 57.959 58.200 -0.162 0.000 0.855 257 S CB 1.555 64.708 63.200 -0.079 0.000 1.116 257 S HN 0.701 nan 8.310 nan 0.000 0.472 258 G N 0.229 108.967 108.800 -0.103 0.000 2.494 258 G HA2 0.561 4.521 3.960 -0.000 0.000 0.270 258 G HA3 0.561 4.521 3.960 -0.000 0.000 0.270 258 G C -0.815 174.067 174.900 -0.030 0.000 1.423 258 G CA -0.649 44.417 45.100 -0.057 0.000 1.055 258 G HN 0.915 nan 8.290 nan 0.000 0.536 259 V N -0.406 119.504 119.914 -0.007 0.000 2.667 259 V HA 0.865 4.985 4.120 -0.000 0.000 0.308 259 V C 0.762 176.856 176.094 -0.000 0.000 1.048 259 V CA 0.798 63.096 62.300 -0.003 0.000 0.928 259 V CB 0.804 32.629 31.823 0.002 0.000 1.004 259 V HN 1.696 nan 8.190 nan 0.000 0.444 260 G N 3.103 111.898 108.800 -0.009 0.000 2.361 260 G HA2 -0.071 3.888 3.960 -0.000 0.000 0.331 260 G HA3 -0.071 3.888 3.960 -0.000 0.000 0.331 260 G C -0.032 174.853 174.900 -0.024 0.000 1.324 260 G CA -0.065 45.026 45.100 -0.014 0.000 0.984 260 G HN 0.566 nan 8.290 nan 0.000 0.586 261 N N -0.946 117.733 118.700 -0.035 0.000 2.120 261 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 261 N C 2.371 177.863 175.510 -0.030 0.000 1.024 261 N CA 1.415 54.437 53.050 -0.045 0.000 0.852 261 N CB 0.005 38.455 38.487 -0.063 0.000 1.003 261 N HN 0.310 nan 8.380 nan 0.000 0.424 262 V N 1.592 121.494 119.914 -0.021 0.000 2.261 262 V HA -0.252 3.867 4.120 -0.000 0.000 0.246 262 V C 2.452 178.540 176.094 -0.010 0.000 1.047 262 V CA 1.987 64.279 62.300 -0.013 0.000 1.015 262 V CB -0.997 30.824 31.823 -0.004 0.000 0.642 262 V HN 0.343 nan 8.190 nan 0.000 0.446 263 A N 0.389 123.202 122.820 -0.010 0.000 1.892 263 A HA -0.346 3.974 4.320 -0.000 0.000 0.218 263 A C 2.043 179.628 177.584 0.001 0.000 1.188 263 A CA 2.644 54.676 52.037 -0.009 0.000 0.631 263 A CB -1.063 17.929 19.000 -0.014 0.000 0.822 263 A HN 0.720 nan 8.150 nan 0.000 0.447 264 N N -0.160 118.537 118.700 -0.004 0.000 2.104 264 N HA -0.100 4.640 4.740 -0.000 0.000 0.190 264 N C 1.957 177.471 175.510 0.007 0.000 1.024 264 N CA 1.055 54.106 53.050 0.001 0.000 0.853 264 N CB -0.257 38.221 38.487 -0.015 0.000 1.008 264 N HN 0.536 nan 8.380 nan 0.000 0.424 265 A N 0.766 123.584 122.820 -0.002 0.000 1.898 265 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 265 A C 2.415 180.007 177.584 0.012 0.000 1.181 265 A CA 0.997 53.034 52.037 -0.000 0.000 0.620 265 A CB -0.670 18.323 19.000 -0.011 0.000 0.819 265 A HN 0.085 nan 8.150 nan 0.000 0.442 266 V N 0.193 120.114 119.914 0.013 0.000 2.261 266 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 266 V C 2.587 178.704 176.094 0.038 0.000 1.047 266 V CA 2.060 64.371 62.300 0.018 0.000 1.015 266 V CB -0.835 30.993 31.823 0.008 0.000 0.642 266 V HN 0.575 nan 8.190 nan 0.000 0.446 267 L N 0.330 121.588 121.223 0.058 0.000 2.042 267 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 267 L C 2.640 179.584 176.870 0.124 0.000 1.076 267 L CA 1.862 56.775 54.840 0.122 0.000 0.749 267 L CB -1.173 40.958 42.059 0.120 0.000 0.893 267 L HN 0.484 nan 8.230 nan 0.000 0.432 268 G N -0.614 108.230 108.800 0.073 0.000 2.421 268 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 268 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 268 G C 1.776 176.710 174.900 0.058 0.000 1.171 268 G CA 0.804 45.941 45.100 0.060 0.000 0.775 268 G HN 0.471 nan 8.290 nan 0.000 0.543 269 A N 0.675 123.521 122.820 0.042 0.000 1.883 269 A HA 0.027 4.347 4.320 -0.000 0.000 0.217 269 A C 2.463 180.068 177.584 0.035 0.000 1.186 269 A CA 1.461 53.516 52.037 0.030 0.000 0.624 269 A CB -0.484 18.527 19.000 0.019 0.000 0.822 269 A HN 0.361 nan 8.150 nan 0.000 0.444 270 L N -0.728 120.523 121.223 0.047 0.000 2.042 270 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 270 L C 2.833 179.789 176.870 0.143 0.000 1.076 270 L CA 1.221 56.085 54.840 0.039 0.000 0.749 270 L CB -0.842 41.205 42.059 -0.020 0.000 0.893 270 L HN 0.496 nan 8.230 nan 0.000 0.432 271 G N -0.872 108.044 108.800 0.194 0.000 2.432 271 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 271 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 271 G C 1.082 176.034 174.900 0.086 0.000 1.135 271 G CA 0.770 45.969 45.100 0.167 0.000 0.767 271 G HN 0.285 nan 8.290 nan 0.000 0.550 272 D N -0.312 120.124 120.400 0.059 0.000 2.349 272 D HA 0.015 4.655 4.640 -0.000 0.000 0.215 272 D C 0.572 176.882 176.300 0.017 0.000 1.016 272 D CA -0.008 54.011 54.000 0.032 0.000 0.870 272 D CB 0.060 40.875 40.800 0.024 0.000 0.917 272 D HN 0.130 nan 8.370 nan 0.000 0.524 273 N N 1.411 120.117 118.700 0.011 0.000 2.462 273 N HA 0.060 4.800 4.740 -0.000 0.000 0.242 273 N C -1.766 173.730 175.510 -0.023 0.000 1.010 273 N CA -1.561 51.480 53.050 -0.015 0.000 0.939 273 N CB 1.869 40.333 38.487 -0.037 0.000 1.127 273 N HN -0.081 nan 8.380 nan 0.000 0.509 274 P HA -0.106 nan 4.420 nan 0.000 0.221 274 P C 0.226 177.501 177.300 -0.043 0.000 1.145 274 P CA 1.013 64.102 63.100 -0.019 0.000 0.795 274 P CB 0.538 32.230 31.700 -0.013 0.000 0.775 275 D N -0.577 119.783 120.400 -0.065 0.000 2.363 275 D HA 0.023 4.663 4.640 -0.000 0.000 0.220 275 D C 0.740 176.938 176.300 -0.170 0.000 0.994 275 D CA 0.512 54.454 54.000 -0.096 0.000 0.890 275 D CB 0.145 40.890 40.800 -0.091 0.000 0.906 275 D HN 0.202 nan 8.370 nan 0.000 0.530 276 I N 3.830 124.290 120.570 -0.184 0.000 2.297 276 I HA 0.155 4.325 4.170 -0.000 0.000 0.291 276 I C -1.992 174.034 176.117 -0.152 0.000 1.033 276 I CA -2.167 58.934 61.300 -0.331 0.000 1.253 276 I CB 0.949 38.764 38.000 -0.307 0.000 1.396 276 I HN -0.252 nan 8.210 nan 0.000 0.476 277 P HA 0.110 nan 4.420 nan 0.000 0.272 277 P C -0.317 177.101 177.300 0.197 0.000 1.223 277 P CA -0.436 62.679 63.100 0.024 0.000 0.784 277 P CB 0.866 32.583 31.700 0.028 0.000 0.923 278 A N 2.998 125.908 122.820 0.149 0.000 2.584 278 A HA 0.279 4.599 4.320 -0.000 0.000 0.239 278 A C 0.196 177.925 177.584 0.242 0.000 1.043 278 A CA 0.381 52.489 52.037 0.118 0.000 0.756 278 A CB -1.225 17.796 19.000 0.035 0.000 0.963 278 A HN 0.521 nan 8.150 nan 0.000 0.511 279 F N 0.734 120.773 119.950 0.150 0.000 2.631 279 F HA 0.770 5.297 4.527 -0.000 0.000 0.328 279 F C -0.258 175.628 175.800 0.143 0.000 1.067 279 F CA -1.458 56.660 58.000 0.198 0.000 0.969 279 F CB 1.247 40.463 39.000 0.359 0.000 1.332 279 F HN 0.521 nan 8.300 nan 0.000 0.490 283 T N -2.811 111.666 114.554 -0.129 0.000 2.893 283 T HA 0.467 4.816 4.350 -0.000 0.000 0.281 283 T C 0.850 175.468 174.700 -0.137 0.000 1.027 283 T CA -0.192 61.793 62.100 -0.192 0.000 0.953 283 T CB 1.845 70.622 68.868 -0.152 0.000 1.434 283 T HN 0.394 nan 8.240 nan 0.000 0.597 284 E N -0.572 119.569 120.200 -0.099 0.000 2.083 284 E HA 0.243 4.593 4.350 -0.000 0.000 0.193 284 E C 0.486 177.100 176.600 0.023 0.000 0.950 284 E CA 0.243 56.649 56.400 0.010 0.000 0.849 284 E CB 0.394 30.212 29.700 0.197 0.000 0.827 284 E HN 0.461 nan 8.360 nan 0.000 0.465 285 V N 1.006 120.966 119.914 0.077 0.000 2.495 285 V HA 0.437 4.557 4.120 -0.000 0.000 0.298 285 V C -0.780 175.321 176.094 0.010 0.000 1.031 285 V CA -0.757 61.596 62.300 0.089 0.000 0.871 285 V CB 1.304 33.215 31.823 0.146 0.000 0.988 285 V HN 0.086 nan 8.190 nan 0.000 0.432 286 I N 7.673 128.239 120.570 -0.007 0.000 2.312 286 I HA 0.375 4.545 4.170 -0.000 0.000 0.291 286 I C 0.515 176.622 176.117 -0.017 0.000 1.031 286 I CA -0.253 61.030 61.300 -0.029 0.000 1.293 286 I CB 1.114 39.078 38.000 -0.060 0.000 1.403 286 I HN 0.826 nan 8.210 nan 0.000 0.484 287 Q N 4.675 124.468 119.800 -0.011 0.000 2.286 287 Q HA 0.306 4.646 4.340 -0.000 0.000 0.250 287 Q C -0.231 175.761 176.000 -0.013 0.000 1.021 287 Q CA -0.657 55.139 55.803 -0.012 0.000 0.930 287 Q CB 1.070 29.804 28.738 -0.006 0.000 1.266 287 Q HN 0.436 nan 8.270 nan 0.000 0.491 288 D N 1.018 121.407 120.400 -0.018 0.000 2.116 288 D HA -0.149 4.491 4.640 -0.000 0.000 0.193 288 D C 1.808 178.111 176.300 0.005 0.000 0.998 288 D CA 2.388 56.378 54.000 -0.016 0.000 0.836 288 D CB -0.500 40.287 40.800 -0.021 0.000 0.951 288 D HN 0.689 nan 8.370 nan 0.000 0.449 289 A N 0.478 123.303 122.820 0.009 0.000 1.948 289 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 289 A C 2.517 180.125 177.584 0.040 0.000 1.177 289 A CA 1.583 53.635 52.037 0.025 0.000 0.636 289 A CB -0.763 18.253 19.000 0.026 0.000 0.815 289 A HN 0.189 nan 8.150 nan 0.000 0.449 290 V N 0.394 120.329 119.914 0.035 0.000 2.379 290 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 290 V C 2.420 178.537 176.094 0.039 0.000 1.044 290 V CA 1.556 63.877 62.300 0.034 0.000 1.036 290 V CB -0.576 31.257 31.823 0.017 0.000 0.664 290 V HN 0.521 nan 8.190 nan 0.000 0.453 291 I N 0.879 121.482 120.570 0.054 0.000 2.208 291 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 291 I C 2.752 178.957 176.117 0.147 0.000 1.097 291 I CA 1.974 63.351 61.300 0.128 0.000 1.363 291 I CB -1.742 36.302 38.000 0.072 0.000 1.051 291 I HN 0.308 nan 8.210 nan 0.000 0.413 292 A N 1.290 124.159 122.820 0.082 0.000 1.883 292 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 292 A C 1.731 179.350 177.584 0.058 0.000 1.186 292 A CA 0.947 53.023 52.037 0.066 0.000 0.624 292 A CB -0.863 18.161 19.000 0.039 0.000 0.822 292 A HN 0.310 nan 8.150 nan 0.000 0.444 296 K N 1.196 121.612 120.400 0.025 0.000 2.410 296 K HA 0.152 4.472 4.320 -0.000 0.000 0.200 296 K C 0.832 177.441 176.600 0.014 0.000 1.023 296 K CA 0.661 56.951 56.287 0.005 0.000 1.149 296 K CB 0.898 33.401 32.500 0.004 0.000 0.859 296 K HN 0.381 nan 8.250 nan 0.000 0.514 297 G N 2.487 111.313 108.800 0.043 0.000 2.175 297 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.265 297 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.265 297 G C 1.002 175.881 174.900 -0.034 0.000 0.979 297 G CA 1.014 46.128 45.100 0.024 0.000 0.663 297 G HN 0.314 nan 8.290 nan 0.000 0.533 298 R N 0.316 120.781 120.500 -0.059 0.000 2.073 298 R HA 0.249 4.589 4.340 -0.000 0.000 0.229 298 R C 1.153 177.245 176.300 -0.347 0.000 1.120 298 R CA 1.229 57.259 56.100 -0.116 0.000 0.967 298 R CB -0.129 30.135 30.300 -0.059 0.000 0.862 298 R HN 0.496 nan 8.270 nan 0.000 0.436 299 I N 1.386 121.743 120.570 -0.355 0.000 2.362 299 I HA 0.168 4.338 4.170 -0.000 0.000 0.289 299 I C 0.557 176.540 176.117 -0.223 0.000 0.994 299 I CA -0.471 60.529 61.300 -0.501 0.000 1.158 299 I CB 2.086 39.829 38.000 -0.428 0.000 1.315 299 I HN 0.108 nan 8.210 nan 0.000 0.451 300 K N 4.711 125.020 120.400 -0.151 0.000 2.167 300 K HA 0.118 4.437 4.320 -0.000 0.000 0.203 300 K C -0.213 176.425 176.600 0.063 0.000 1.052 300 K CA 1.137 57.403 56.287 -0.034 0.000 0.956 300 K CB 0.375 32.884 32.500 0.014 0.000 0.735 300 K HN 0.439 nan 8.250 nan 0.000 0.451 301 F N -1.003 118.886 119.950 -0.101 0.000 2.719 301 F HA 0.498 5.025 4.527 -0.000 0.000 0.309 301 F C -2.127 173.655 175.800 -0.030 0.000 1.138 301 F CA -1.083 56.876 58.000 -0.068 0.000 0.943 301 F CB 1.373 40.352 39.000 -0.036 0.000 1.304 301 F HN -0.228 nan 8.300 nan 0.000 0.445 302 A N 3.047 125.282 122.820 -0.975 0.000 2.375 302 A HA 0.647 4.967 4.320 -0.000 0.000 0.295 302 A C -1.436 175.742 177.584 -0.677 0.000 1.066 302 A CA -0.421 51.292 52.037 -0.541 0.000 0.722 302 A CB 1.410 20.218 19.000 -0.319 0.000 1.206 302 A HN 0.806 nan 8.150 nan 0.000 0.435 303 S N 1.584 117.157 115.700 -0.212 0.000 2.475 303 S HA 0.868 5.338 4.470 -0.000 0.000 0.298 303 S C 0.281 174.739 174.600 -0.237 0.000 1.119 303 S CA 0.360 58.488 58.200 -0.120 0.000 1.085 303 S CB 1.154 64.430 63.200 0.127 0.000 1.028 303 S HN 1.923 nan 8.310 nan 0.000 0.489 304 G N 0.879 109.541 108.800 -0.229 0.000 2.634 304 G HA2 0.381 4.341 3.960 -0.000 0.000 0.309 304 G HA3 0.381 4.341 3.960 -0.000 0.000 0.309 304 G C -0.048 174.725 174.900 -0.213 0.000 1.299 304 G CA 0.036 45.005 45.100 -0.218 0.000 0.798 304 G HN 0.777 nan 8.290 nan 0.000 0.490 305 C N -0.095 119.055 119.300 -0.251 0.000 3.097 305 C HA 0.695 5.154 4.460 -0.000 0.000 0.335 305 C C 0.938 175.838 174.990 -0.151 0.000 1.283 305 C CA 1.018 59.822 59.018 -0.357 0.000 1.778 305 C CB -1.085 26.074 27.740 -0.968 0.000 2.365 305 C HN 1.223 nan 8.230 nan 0.000 0.627 306 S N 0.026 115.716 115.700 -0.016 0.000 2.550 306 S HA 0.603 5.073 4.470 -0.000 0.000 0.270 306 S C -1.369 173.261 174.600 0.050 0.000 1.145 306 S CA -0.519 57.741 58.200 0.100 0.000 0.852 306 S CB 1.302 64.671 63.200 0.282 0.000 1.119 306 S HN 0.202 nan 8.310 nan 0.000 0.465 307 L N 2.529 123.774 121.223 0.038 0.000 2.360 307 L HA 0.590 4.930 4.340 -0.000 0.000 0.265 307 L C -0.434 176.443 176.870 0.012 0.000 1.066 307 L CA 0.091 54.930 54.840 -0.001 0.000 0.929 307 L CB 0.770 42.814 42.059 -0.024 0.000 1.306 307 L HN 0.768 nan 8.230 nan 0.000 0.434 308 S N 4.146 119.857 115.700 0.017 0.000 3.170 308 S HA 0.470 4.940 4.470 -0.000 0.000 0.257 308 S C -0.093 174.498 174.600 -0.014 0.000 1.284 308 S CA -0.469 57.739 58.200 0.013 0.000 0.973 308 S CB -0.059 63.156 63.200 0.025 0.000 1.330 308 S HN 0.489 nan 8.310 nan 0.000 0.493 309 V N 0.293 120.185 119.914 -0.036 0.000 3.019 309 V HA 0.816 4.936 4.120 -0.000 0.000 0.317 309 V C 0.354 176.412 176.094 -0.060 0.000 1.094 309 V CA -1.231 61.034 62.300 -0.059 0.000 1.000 309 V CB 1.468 33.229 31.823 -0.103 0.000 1.060 309 V HN 0.581 nan 8.190 nan 0.000 0.443 310 S N 1.536 117.200 115.700 -0.059 0.000 2.596 310 S HA 0.241 4.711 4.470 -0.000 0.000 0.260 310 S C 1.069 175.623 174.600 -0.077 0.000 1.336 310 S CA 0.353 58.522 58.200 -0.052 0.000 0.993 310 S CB 0.580 63.756 63.200 -0.040 0.000 0.923 310 S HN 1.043 nan 8.310 nan 0.000 0.567 311 R N 0.387 120.851 120.500 -0.061 0.000 2.096 311 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 311 R C 2.434 178.678 176.300 -0.094 0.000 1.127 311 R CA 1.714 57.769 56.100 -0.076 0.000 0.968 311 R CB -0.803 29.468 30.300 -0.047 0.000 0.861 311 R HN 0.769 nan 8.270 nan 0.000 0.440 312 S N -0.416 115.240 115.700 -0.074 0.000 2.368 312 S HA -0.082 4.388 4.470 -0.000 0.000 0.225 312 S C 1.879 176.416 174.600 -0.105 0.000 1.030 312 S CA 1.428 59.585 58.200 -0.071 0.000 0.999 312 S CB -0.096 63.076 63.200 -0.047 0.000 0.844 312 S HN 0.249 nan 8.310 nan 0.000 0.459 313 V N 1.340 121.180 119.914 -0.123 0.000 2.379 313 V HA -0.037 4.083 4.120 -0.000 0.000 0.245 313 V C 2.341 178.263 176.094 -0.288 0.000 1.044 313 V CA 1.572 63.770 62.300 -0.170 0.000 1.036 313 V CB -0.598 31.142 31.823 -0.137 0.000 0.664 313 V HN 0.521 nan 8.190 nan 0.000 0.453 314 I N 0.030 120.415 120.570 -0.309 0.000 2.394 314 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 314 I C 2.424 178.186 176.117 -0.591 0.000 1.136 314 I CA 1.660 62.646 61.300 -0.522 0.000 1.425 314 I CB -0.341 37.382 38.000 -0.462 0.000 1.079 314 I HN 0.354 nan 8.210 nan 0.000 0.425 315 Q N -0.522 119.090 119.800 -0.314 0.000 2.123 315 Q HA -0.223 4.116 4.340 -0.000 0.000 0.199 315 Q C 1.797 177.719 176.000 -0.131 0.000 0.966 315 Q CA 1.650 57.352 55.803 -0.168 0.000 0.845 315 Q CB -0.241 28.446 28.738 -0.084 0.000 0.907 315 Q HN 0.537 nan 8.270 nan 0.000 0.439 316 D N 0.880 121.177 120.400 -0.172 0.000 2.144 316 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 316 D C 1.672 177.858 176.300 -0.190 0.000 0.978 316 D CA 0.925 54.851 54.000 -0.123 0.000 0.833 316 D CB -0.013 40.721 40.800 -0.109 0.000 0.961 316 D HN 0.168 nan 8.370 nan 0.000 0.470 317 I N -0.534 119.750 120.570 -0.478 0.000 2.163 317 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 317 I C 1.954 178.038 176.117 -0.056 0.000 1.081 317 I CA 0.986 61.883 61.300 -0.672 0.000 1.353 317 I CB -0.470 37.057 38.000 -0.789 0.000 1.054 317 I HN 0.142 nan 8.210 nan 0.000 0.407 318 Y N 0.407 120.640 120.300 -0.112 0.000 2.403 318 Y HA -0.184 4.366 4.550 -0.000 0.000 0.291 318 Y C 2.493 178.399 175.900 0.011 0.000 1.143 318 Y CA 0.192 58.274 58.100 -0.030 0.000 1.257 318 Y CB -0.162 38.272 38.460 -0.044 0.000 0.984 318 Y HN 0.211 nan 8.280 nan 0.000 0.550 319 A N -0.554 122.365 122.820 0.165 0.000 2.218 319 A HA 0.029 4.349 4.320 -0.000 0.000 0.209 319 A C 0.705 178.381 177.584 0.153 0.000 1.168 319 A CA 0.332 52.443 52.037 0.124 0.000 0.804 319 A CB -0.023 19.023 19.000 0.078 0.000 0.834 319 A HN 0.300 nan 8.150 nan 0.000 0.482 320 N N 0.196 119.034 118.700 0.230 0.000 2.646 320 N HA 0.171 4.911 4.740 -0.000 0.000 0.303 320 N C -0.163 175.612 175.510 0.443 0.000 1.921 320 N CA -0.218 53.031 53.050 0.332 0.000 0.872 320 N CB 1.065 39.822 38.487 0.450 0.000 1.327 320 N HN 0.088 nan 8.380 nan 0.000 0.492 321 L N 1.331 122.732 121.223 0.296 0.000 2.353 321 L HA -0.129 4.211 4.340 -0.000 0.000 0.220 321 L C 2.055 179.055 176.870 0.217 0.000 1.133 321 L CA 1.530 56.529 54.840 0.264 0.000 0.798 321 L CB -0.369 41.790 42.059 0.166 0.000 0.922 321 L HN 0.322 nan 8.230 nan 0.000 0.445 322 D N -1.614 118.906 120.400 0.200 0.000 2.182 322 D HA -0.297 4.343 4.640 -0.000 0.000 0.201 322 D C 2.068 178.461 176.300 0.155 0.000 0.986 322 D CA 1.348 55.438 54.000 0.149 0.000 0.847 322 D CB -0.373 40.507 40.800 0.133 0.000 0.942 322 D HN 0.402 nan 8.370 nan 0.000 0.467 323 F N -0.081 119.869 119.950 -0.001 0.000 2.453 323 F HA 0.174 4.701 4.527 -0.000 0.000 0.284 323 F C 1.793 177.434 175.800 -0.265 0.000 1.065 323 F CA 0.085 57.968 58.000 -0.195 0.000 1.411 323 F CB 0.008 38.775 39.000 -0.388 0.000 1.131 323 F HN -0.276 nan 8.300 nan 0.000 0.582 324 F N 0.733 120.700 119.950 0.029 0.000 2.270 324 F HA 0.102 4.629 4.527 -0.000 0.000 0.295 324 F C 2.341 178.090 175.800 -0.086 0.000 1.087 324 F CA 0.910 58.861 58.000 -0.082 0.000 1.365 324 F CB -0.809 38.222 39.000 0.053 0.000 1.056 324 F HN -0.195 nan 8.300 nan 0.000 0.506 325 K N 0.793 121.287 120.400 0.156 0.000 2.077 325 K HA -0.245 4.075 4.320 -0.000 0.000 0.213 325 K C 1.283 177.911 176.600 0.047 0.000 1.051 325 K CA 2.140 58.480 56.287 0.089 0.000 0.929 325 K CB -0.339 32.213 32.500 0.086 0.000 0.715 325 K HN 0.368 nan 8.250 nan 0.000 0.451 326 D N -1.070 119.339 120.400 0.016 0.000 2.325 326 D HA -0.042 4.598 4.640 -0.000 0.000 0.225 326 D C 0.585 176.951 176.300 0.109 0.000 1.096 326 D CA 0.357 54.386 54.000 0.048 0.000 0.844 326 D CB 0.392 41.195 40.800 0.005 0.000 0.925 326 D HN 0.252 nan 8.370 nan 0.000 0.513 327 K N -0.076 120.325 120.400 0.003 0.000 2.412 327 K HA 0.314 4.634 4.320 -0.000 0.000 0.202 327 K C 0.403 176.741 176.600 -0.437 0.000 1.102 327 K CA 0.007 56.265 56.287 -0.049 0.000 1.027 327 K CB 1.628 33.964 32.500 -0.273 0.000 0.931 327 K HN 0.080 nan 8.250 nan 0.000 0.557 328 I N 1.667 122.059 120.570 -0.297 0.000 2.509 328 I HA 0.329 4.499 4.170 -0.000 0.000 0.293 328 I C -1.406 174.550 176.117 -0.269 0.000 1.020 328 I CA -1.249 59.811 61.300 -0.400 0.000 1.088 328 I CB 2.012 39.913 38.000 -0.165 0.000 1.267 328 I HN -0.156 nan 8.210 nan 0.000 0.430 329 L N 7.227 128.270 121.223 -0.300 0.000 2.476 329 L HA 0.535 4.875 4.340 -0.000 0.000 0.269 329 L C -1.403 175.415 176.870 -0.087 0.000 0.965 329 L CA -0.137 54.669 54.840 -0.056 0.000 0.845 329 L CB 1.701 43.911 42.059 0.251 0.000 1.259 329 L HN 0.421 nan 8.230 nan 0.000 0.403 330 L N 5.327 126.499 121.223 -0.085 0.000 2.295 330 L HA 0.646 4.985 4.340 -0.000 0.000 0.285 330 L C -0.105 176.758 176.870 -0.011 0.000 1.035 330 L CA -0.635 54.171 54.840 -0.056 0.000 0.806 330 L CB 1.427 43.474 42.059 -0.021 0.000 1.214 330 L HN 0.628 nan 8.230 nan 0.000 0.426 331 R N 2.675 123.144 120.500 -0.052 0.000 2.888 331 R HA 0.578 4.918 4.340 -0.000 0.000 0.266 331 R C -2.671 173.600 176.300 -0.049 0.000 1.020 331 R CA -2.053 54.020 56.100 -0.044 0.000 0.963 331 R CB 1.316 31.598 30.300 -0.030 0.000 1.197 331 R HN 0.284 nan 8.270 nan 0.000 0.481 332 P HA -0.032 nan 4.420 nan 0.000 0.272 332 P C -0.063 177.228 177.300 -0.015 0.000 1.223 332 P CA -0.252 62.861 63.100 0.022 0.000 0.784 332 P CB 0.625 32.395 31.700 0.118 0.000 0.923 333 Q N 1.673 121.404 119.800 -0.115 0.000 2.364 333 Q HA -0.250 4.090 4.340 -0.000 0.000 0.209 333 Q C 1.555 177.514 176.000 -0.069 0.000 0.977 333 Q CA 1.526 57.229 55.803 -0.168 0.000 0.885 333 Q CB -0.592 28.052 28.738 -0.158 0.000 0.941 333 Q HN 0.548 nan 8.270 nan 0.000 0.464 334 E N 0.053 120.235 120.200 -0.030 0.000 2.204 334 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 334 E C 0.744 177.185 176.600 -0.266 0.000 0.990 334 E CA 1.114 57.431 56.400 -0.139 0.000 0.821 334 E CB 0.025 29.630 29.700 -0.158 0.000 0.750 334 E HN 0.584 nan 8.360 nan 0.000 0.477 335 Y N -0.395 119.872 120.300 -0.054 0.000 2.464 335 Y HA 0.048 4.598 4.550 -0.000 0.000 0.288 335 Y C 2.750 178.657 175.900 0.011 0.000 1.133 335 Y CA 0.740 58.832 58.100 -0.013 0.000 1.223 335 Y CB -0.111 38.348 38.460 -0.003 0.000 1.187 335 Y HN 0.136 nan 8.280 nan 0.000 0.539 336 S N 0.285 116.024 115.700 0.064 0.000 2.419 336 S HA -0.165 4.305 4.470 -0.000 0.000 0.235 336 S C 1.009 175.597 174.600 -0.021 0.000 1.019 336 S CA 1.798 59.932 58.200 -0.111 0.000 0.982 336 S CB -0.442 62.631 63.200 -0.212 0.000 0.789 336 S HN 0.377 nan 8.310 nan 0.000 0.490 337 N N 1.476 120.121 118.700 -0.092 0.000 2.234 337 N HA 0.243 4.983 4.740 -0.000 0.000 0.227 337 N C -0.577 174.739 175.510 -0.323 0.000 1.151 337 N CA -0.201 52.634 53.050 -0.358 0.000 0.865 337 N CB -0.088 38.246 38.487 -0.255 0.000 1.066 337 N HN 0.391 nan 8.380 nan 0.000 0.515 338 N N 1.828 120.444 118.700 -0.141 0.000 2.468 338 N HA 0.044 4.784 4.740 -0.000 0.000 0.265 338 N C -1.673 173.755 175.510 -0.137 0.000 1.199 338 N CA -1.118 51.846 53.050 -0.143 0.000 0.928 338 N CB 1.485 39.892 38.487 -0.133 0.000 1.059 338 N HN -0.030 nan 8.380 nan 0.000 0.467 339 P HA -0.172 nan 4.420 nan 0.000 0.215 339 P C 1.050 178.305 177.300 -0.075 0.000 1.157 339 P CA 1.242 64.277 63.100 -0.109 0.000 0.874 339 P CB 0.273 31.917 31.700 -0.094 0.000 0.790 340 E N -0.523 119.631 120.200 -0.075 0.000 2.058 340 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 340 E C 1.755 178.310 176.600 -0.075 0.000 0.997 340 E CA 1.382 57.744 56.400 -0.064 0.000 0.801 340 E CB -0.318 29.341 29.700 -0.069 0.000 0.746 340 E HN -0.006 nan 8.360 nan 0.000 0.450 341 I N 0.851 121.369 120.570 -0.087 0.000 2.202 341 I HA -0.195 3.975 4.170 -0.000 0.000 0.242 341 I C 2.600 178.622 176.117 -0.158 0.000 1.091 341 I CA 0.690 61.907 61.300 -0.138 0.000 1.368 341 I CB -1.489 36.453 38.000 -0.098 0.000 1.058 341 I HN 0.083 nan 8.210 nan 0.000 0.410 342 V N 1.253 121.124 119.914 -0.072 0.000 2.252 342 V HA -0.309 3.811 4.120 -0.000 0.000 0.249 342 V C 2.826 178.922 176.094 0.005 0.000 1.056 342 V CA 2.367 64.666 62.300 -0.001 0.000 1.022 342 V CB -0.858 30.977 31.823 0.021 0.000 0.641 342 V HN 0.373 nan 8.190 nan 0.000 0.445 343 R N -0.172 120.327 120.500 -0.003 0.000 2.075 343 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 343 R C 2.541 178.854 176.300 0.022 0.000 1.126 343 R CA 1.632 57.745 56.100 0.020 0.000 0.963 343 R CB -0.298 30.005 30.300 0.006 0.000 0.858 343 R HN 0.455 nan 8.270 nan 0.000 0.435 344 R N 0.461 120.954 120.500 -0.013 0.000 2.073 344 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 344 R C 2.001 178.301 176.300 -0.001 0.000 1.134 344 R CA 1.626 57.724 56.100 -0.002 0.000 0.952 344 R CB -0.277 30.006 30.300 -0.028 0.000 0.850 344 R HN 0.291 nan 8.270 nan 0.000 0.433 345 L N -0.135 121.049 121.223 -0.064 0.000 2.376 345 L HA 0.118 4.458 4.340 -0.000 0.000 0.219 345 L C 1.106 177.958 176.870 -0.030 0.000 1.133 345 L CA 0.665 55.455 54.840 -0.083 0.000 0.816 345 L CB -0.298 41.633 42.059 -0.214 0.000 0.933 345 L HN 0.631 nan 8.230 nan 0.000 0.449 346 G N 0.975 109.806 108.800 0.051 0.000 2.256 346 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.272 346 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.272 346 G C 0.105 175.029 174.900 0.040 0.000 1.076 346 G CA 0.006 45.209 45.100 0.172 0.000 0.882 346 G HN 0.095 nan 8.290 nan 0.000 0.497 347 V N 0.809 120.753 119.914 0.050 0.000 2.599 347 V HA 0.192 4.312 4.120 -0.000 0.000 0.300 347 V C 1.354 177.482 176.094 0.056 0.000 1.034 347 V CA 0.273 62.601 62.300 0.047 0.000 1.115 347 V CB 0.968 32.896 31.823 0.176 0.000 0.934 347 V HN 0.381 nan 8.190 nan 0.000 0.485 348 I N 5.201 125.738 120.570 -0.055 0.000 2.325 348 I HA 0.274 4.443 4.170 -0.000 0.000 0.291 348 I C 0.652 176.742 176.117 -0.045 0.000 1.019 348 I CA -0.002 61.271 61.300 -0.045 0.000 1.302 348 I CB 1.412 39.310 38.000 -0.170 0.000 1.401 348 I HN 0.770 nan 8.210 nan 0.000 0.485 349 T N 4.968 119.513 114.554 -0.016 0.000 2.829 349 T HA 0.749 5.099 4.350 -0.000 0.000 0.282 349 T C -0.486 174.114 174.700 -0.166 0.000 0.990 349 T CA -0.645 61.398 62.100 -0.094 0.000 1.028 349 T CB 1.379 70.233 68.868 -0.024 0.000 0.951 349 T HN 0.342 nan 8.240 nan 0.000 0.460 350 I N 3.288 123.729 120.570 -0.215 0.000 2.468 350 I HA 0.434 4.603 4.170 -0.000 0.000 0.284 350 I C -0.380 175.577 176.117 -0.268 0.000 1.038 350 I CA -0.819 60.347 61.300 -0.223 0.000 1.083 350 I CB 1.464 39.393 38.000 -0.118 0.000 1.223 350 I HN 0.632 nan 8.210 nan 0.000 0.443 351 N N 2.806 121.259 118.700 -0.411 0.000 2.509 351 N HA 0.525 5.265 4.740 -0.000 0.000 0.280 351 N C -0.597 174.864 175.510 -0.082 0.000 1.306 351 N CA -0.511 52.365 53.050 -0.290 0.000 0.782 351 N CB 2.625 40.874 38.487 -0.398 0.000 1.493 351 N HN 0.594 nan 8.380 nan 0.000 0.498 352 T N -2.017 112.595 114.554 0.096 0.000 2.902 352 T HA 0.784 5.134 4.350 -0.000 0.000 0.280 352 T C -0.337 174.543 174.700 0.299 0.000 0.992 352 T CA -0.688 61.516 62.100 0.173 0.000 1.015 352 T CB 1.408 70.336 68.868 0.101 0.000 1.044 352 T HN 0.513 nan 8.240 nan 0.000 0.520 353 A N 1.874 124.801 122.820 0.178 0.000 2.374 353 A HA 0.639 4.959 4.320 -0.000 0.000 0.305 353 A C 1.016 178.603 177.584 0.006 0.000 1.053 353 A CA -0.957 51.127 52.037 0.080 0.000 0.726 353 A CB 0.940 19.923 19.000 -0.029 0.000 1.229 353 A HN 0.909 nan 8.150 nan 0.000 0.431 354 L N 0.617 121.851 121.223 0.018 0.000 2.056 354 L HA 0.019 4.359 4.340 -0.000 0.000 0.207 354 L C 1.165 177.997 176.870 -0.063 0.000 1.078 354 L CA 1.775 56.614 54.840 -0.001 0.000 0.749 354 L CB -0.115 41.964 42.059 0.032 0.000 0.901 354 L HN 0.942 nan 8.230 nan 0.000 0.433 355 E N -1.379 118.764 120.200 -0.095 0.000 2.423 355 E HA 0.683 5.033 4.350 -0.000 0.000 0.280 355 E C -1.519 174.946 176.600 -0.225 0.000 1.030 355 E CA -0.890 55.402 56.400 -0.180 0.000 0.812 355 E CB 2.146 31.804 29.700 -0.070 0.000 1.313 355 E HN -0.073 nan 8.360 nan 0.000 0.456 356 A N 1.195 123.823 122.820 -0.321 0.000 2.556 356 A HA 0.664 4.984 4.320 -0.000 0.000 0.294 356 A C -1.717 175.807 177.584 -0.100 0.000 1.091 356 A CA -0.491 51.410 52.037 -0.226 0.000 0.704 356 A CB 1.636 20.493 19.000 -0.239 0.000 1.300 356 A HN 0.792 nan 8.150 nan 0.000 0.406 357 D N -0.623 119.753 120.400 -0.041 0.000 2.392 357 D HA 0.432 5.072 4.640 -0.000 0.000 0.246 357 D C 1.025 177.290 176.300 -0.059 0.000 1.013 357 D CA -0.391 53.586 54.000 -0.038 0.000 0.993 357 D CB 0.415 41.197 40.800 -0.031 0.000 1.219 357 D HN 0.606 nan 8.370 nan 0.000 0.538 358 I N -3.130 117.285 120.570 -0.260 0.000 3.010 358 I HA -0.012 4.158 4.170 -0.000 0.000 0.271 358 I C 0.276 176.005 176.117 -0.648 0.000 1.293 358 I CA 0.794 61.807 61.300 -0.478 0.000 1.452 358 I CB -0.704 36.891 38.000 -0.674 0.000 1.082 358 I HN 0.128 nan 8.210 nan 0.000 0.484 359 F N 1.690 121.630 119.950 -0.017 0.000 2.653 359 F HA 0.469 4.996 4.527 -0.000 0.000 0.304 359 F C 1.760 177.548 175.800 -0.020 0.000 1.092 359 F CA 0.309 58.298 58.000 -0.019 0.000 1.279 359 F CB 0.765 39.754 39.000 -0.019 0.000 1.044 359 F HN 0.238 nan 8.300 nan 0.000 0.564 360 G N 0.530 109.375 108.800 0.075 0.000 2.141 360 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.231 360 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.231 360 G C -0.188 174.722 174.900 0.017 0.000 0.984 360 G CA -0.536 44.595 45.100 0.052 0.000 0.660 360 G HN 0.299 nan 8.290 nan 0.000 0.525 361 N N -0.098 118.607 118.700 0.008 0.000 2.498 361 N HA 0.622 5.362 4.740 -0.000 0.000 0.287 361 N C -0.551 174.866 175.510 -0.155 0.000 1.097 361 N CA -0.005 53.015 53.050 -0.051 0.000 0.973 361 N CB 1.584 40.040 38.487 -0.052 0.000 1.153 361 N HN 0.120 nan 8.380 nan 0.000 0.472 362 I N 1.732 122.189 120.570 -0.188 0.000 2.474 362 I HA 0.193 4.363 4.170 -0.000 0.000 0.294 362 I C 0.014 176.069 176.117 -0.103 0.000 1.005 362 I CA -0.667 60.486 61.300 -0.245 0.000 1.113 362 I CB 1.490 39.107 38.000 -0.639 0.000 1.289 362 I HN 0.384 nan 8.210 nan 0.000 0.436 363 N N 3.067 121.724 118.700 -0.072 0.000 2.417 363 N HA 0.377 5.117 4.740 -0.000 0.000 0.274 363 N C -0.423 175.152 175.510 0.108 0.000 0.987 363 N CA -0.377 52.701 53.050 0.047 0.000 0.912 363 N CB 1.256 39.772 38.487 0.048 0.000 1.177 363 N HN 0.516 nan 8.380 nan 0.000 0.490 364 S N 0.666 116.493 115.700 0.213 0.000 2.855 364 S HA 0.146 4.616 4.470 -0.000 0.000 0.249 364 S C 0.707 175.440 174.600 0.222 0.000 1.033 364 S CA 0.111 58.450 58.200 0.231 0.000 1.038 364 S CB -0.230 63.185 63.200 0.359 0.000 0.960 364 S HN 0.671 nan 8.310 nan 0.000 0.548 365 T N -2.375 112.314 114.554 0.225 0.000 3.336 365 T HA 0.278 4.628 4.350 -0.000 0.000 0.273 365 T C -0.311 174.389 174.700 -0.001 0.000 0.932 365 T CA 0.078 62.269 62.100 0.152 0.000 0.995 365 T CB -0.134 68.885 68.868 0.251 0.000 1.213 365 T HN 0.342 nan 8.240 nan 0.000 0.502 366 H N 1.380 120.374 119.070 -0.126 0.000 2.504 366 H HA 0.698 5.254 4.556 -0.000 0.000 0.322 366 H C -0.561 174.716 175.328 -0.084 0.000 1.055 366 H CA -0.736 55.202 56.048 -0.184 0.000 1.231 366 H CB 1.388 30.914 29.762 -0.394 0.000 1.417 366 H HN 0.104 nan 8.280 nan 0.000 0.472 367 V N 3.167 123.075 119.914 -0.010 0.000 2.508 367 V HA 0.018 4.138 4.120 -0.000 0.000 0.281 367 V C 0.759 176.855 176.094 0.002 0.000 1.041 367 V CA 0.182 62.483 62.300 0.002 0.000 1.016 367 V CB 0.934 32.742 31.823 -0.025 0.000 0.984 367 V HN 1.122 nan 8.190 nan 0.000 0.478 368 S N 3.887 119.595 115.700 0.013 0.000 3.445 368 S HA -0.252 4.218 4.470 -0.000 0.000 0.319 368 S C 1.489 175.991 174.600 -0.162 0.000 1.209 368 S CA 1.452 59.620 58.200 -0.054 0.000 0.934 368 S CB -1.429 61.763 63.200 -0.014 0.000 0.999 368 S HN 2.145 nan 8.310 nan 0.000 0.582 369 G N -0.723 108.023 108.800 -0.091 0.000 2.184 369 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.264 369 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.264 369 G C 0.698 175.597 174.900 -0.003 0.000 0.975 369 G CA 1.652 46.708 45.100 -0.073 0.000 0.642 369 G HN 1.534 nan 8.290 nan 0.000 0.536 370 T N -3.736 110.843 114.554 0.042 0.000 3.075 370 T HA 0.412 4.762 4.350 -0.000 0.000 0.251 370 T C 1.296 176.029 174.700 0.054 0.000 0.979 370 T CA 0.519 62.667 62.100 0.081 0.000 1.033 370 T CB 0.588 69.458 68.868 0.004 0.000 1.104 370 T HN 0.440 nan 8.240 nan 0.000 0.473 375 G N 0.468 109.163 108.800 -0.175 0.000 2.340 375 G HA2 0.236 4.196 3.960 -0.000 0.000 0.300 375 G HA3 0.236 4.196 3.960 -0.000 0.000 0.300 375 G C -0.302 174.812 174.900 0.357 0.000 1.488 375 G CA -0.671 44.505 45.100 0.126 0.000 0.878 375 G HN 0.215 nan 8.290 nan 0.000 0.618 376 I N 0.676 121.434 120.570 0.313 0.000 2.423 376 I HA 0.137 4.307 4.170 -0.000 0.000 0.254 376 I C 1.890 178.249 176.117 0.403 0.000 1.151 376 I CA 2.552 64.046 61.300 0.323 0.000 1.421 376 I CB -0.282 37.831 38.000 0.188 0.000 1.079 376 I HN 1.740 nan 8.210 nan 0.000 0.431 377 G N 0.127 109.195 108.800 0.447 0.000 2.574 377 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.286 377 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.286 377 G C 0.671 175.746 174.900 0.291 0.000 1.212 377 G CA 0.017 45.280 45.100 0.272 0.000 0.979 377 G HN 0.599 nan 8.290 nan 0.000 0.557 378 G N -0.348 108.631 108.800 0.298 0.000 3.393 378 G HA2 0.462 4.422 3.960 -0.000 0.000 0.255 378 G HA3 0.462 4.422 3.960 -0.000 0.000 0.255 378 G C 1.705 176.914 174.900 0.515 0.000 1.097 378 G CA 1.352 46.687 45.100 0.392 0.000 0.780 378 G HN 1.773 nan 8.290 nan 0.000 0.540 379 S N -0.038 115.943 115.700 0.469 0.000 2.399 379 S HA -0.017 4.453 4.470 -0.000 0.000 0.231 379 S C 2.340 177.280 174.600 0.566 0.000 1.022 379 S CA 1.434 59.918 58.200 0.474 0.000 0.983 379 S CB -0.369 63.130 63.200 0.500 0.000 0.803 379 S HN 0.296 nan 8.310 nan 0.000 0.480 380 G N 1.851 111.022 108.800 0.619 0.000 2.394 380 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.214 380 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.214 380 G C 1.182 176.185 174.900 0.172 0.000 1.176 380 G CA 0.808 46.197 45.100 0.481 0.000 0.786 380 G HN 0.473 nan 8.290 nan 0.000 0.533 381 D N 0.535 120.980 120.400 0.075 0.000 2.133 381 D HA -0.116 4.524 4.640 -0.000 0.000 0.195 381 D C 2.149 178.347 176.300 -0.170 0.000 0.997 381 D CA 0.951 54.863 54.000 -0.147 0.000 0.840 381 D CB -0.218 40.419 40.800 -0.271 0.000 0.947 381 D HN 0.331 nan 8.370 nan 0.000 0.452 382 F N 1.238 121.244 119.950 0.094 0.000 2.059 382 F HA -0.088 4.439 4.527 -0.000 0.000 0.289 382 F C 2.816 178.652 175.800 0.060 0.000 1.128 382 F CA 0.912 58.953 58.000 0.068 0.000 1.181 382 F CB -1.155 37.873 39.000 0.047 0.000 1.012 382 F HN -0.159 nan 8.300 nan 0.000 0.473 383 T N 0.288 115.004 114.554 0.270 0.000 2.592 383 T HA -0.355 3.995 4.350 -0.000 0.000 0.267 383 T C 2.014 176.830 174.700 0.194 0.000 1.060 383 T CA 2.265 64.475 62.100 0.183 0.000 1.167 383 T CB -0.459 68.560 68.868 0.253 0.000 0.863 383 T HN -0.001 nan 8.240 nan 0.000 0.431 384 R N 1.822 122.441 120.500 0.197 0.000 2.103 384 R HA -0.056 4.284 4.340 -0.000 0.000 0.242 384 R C 1.425 177.780 176.300 0.091 0.000 1.142 384 R CA 2.036 58.219 56.100 0.139 0.000 0.960 384 R CB -0.598 29.754 30.300 0.086 0.000 0.858 384 R HN 0.541 nan 8.270 nan 0.000 0.439 385 N N -0.560 118.185 118.700 0.074 0.000 2.205 385 N HA 0.061 4.801 4.740 -0.000 0.000 0.201 385 N C -0.620 174.940 175.510 0.083 0.000 1.128 385 N CA 0.310 53.392 53.050 0.053 0.000 0.867 385 N CB 0.694 39.186 38.487 0.008 0.000 0.996 385 N HN 0.225 nan 8.380 nan 0.000 0.503 386 S N -0.626 115.148 115.700 0.123 0.000 2.584 386 S HA -0.016 4.454 4.470 -0.000 0.000 0.270 386 S C 0.970 175.659 174.600 0.148 0.000 1.346 386 S CA -0.596 57.694 58.200 0.151 0.000 1.018 386 S CB 0.646 63.936 63.200 0.150 0.000 0.899 386 S HN 0.258 nan 8.310 nan 0.000 0.542 387 Y N 2.376 122.696 120.300 0.033 0.000 2.128 387 Y HA 0.025 4.575 4.550 -0.000 0.000 0.284 387 Y C 0.514 176.442 175.900 0.045 0.000 1.154 387 Y CA 1.702 59.816 58.100 0.024 0.000 1.149 387 Y CB 0.109 38.566 38.460 -0.005 0.000 0.976 387 Y HN 0.517 nan 8.280 nan 0.000 0.505 388 V N 0.474 120.540 119.914 0.252 0.000 2.711 388 V HA 0.252 4.372 4.120 -0.000 0.000 0.304 388 V C -0.792 175.391 176.094 0.147 0.000 1.097 388 V CA -0.711 61.706 62.300 0.195 0.000 0.906 388 V CB 1.499 33.483 31.823 0.267 0.000 1.015 388 V HN 0.166 nan 8.190 nan 0.000 0.427 389 S N 5.297 121.068 115.700 0.119 0.000 2.480 389 S HA 0.857 5.327 4.470 -0.000 0.000 0.286 389 S C -0.681 173.933 174.600 0.023 0.000 1.180 389 S CA -0.551 57.677 58.200 0.047 0.000 1.075 389 S CB 1.136 64.387 63.200 0.084 0.000 0.996 389 S HN 0.556 nan 8.310 nan 0.000 0.487 390 I N 2.432 122.930 120.570 -0.121 0.000 2.569 390 I HA 0.524 4.694 4.170 -0.000 0.000 0.296 390 I C -1.229 174.686 176.117 -0.337 0.000 1.028 390 I CA -0.787 60.452 61.300 -0.102 0.000 1.082 390 I CB 1.759 39.741 38.000 -0.029 0.000 1.264 390 I HN 0.568 nan 8.210 nan 0.000 0.429 391 F N 2.667 122.613 119.950 -0.006 0.000 2.518 391 F HA 0.486 5.013 4.527 -0.000 0.000 0.323 391 F C 0.387 176.190 175.800 0.005 0.000 1.129 391 F CA -0.512 57.481 58.000 -0.012 0.000 0.920 391 F CB 2.339 41.328 39.000 -0.019 0.000 1.160 391 F HN 0.383 nan 8.300 nan 0.000 0.440 392 T N -0.797 113.848 114.554 0.151 0.000 2.940 392 T HA 0.831 5.181 4.350 -0.000 0.000 0.288 392 T C -0.500 174.259 174.700 0.100 0.000 1.033 392 T CA -0.810 61.352 62.100 0.103 0.000 1.033 392 T CB 2.005 70.900 68.868 0.045 0.000 1.079 392 T HN 0.732 nan 8.240 nan 0.000 0.496 393 T N 1.984 116.585 114.554 0.078 0.000 3.610 393 T HA 0.374 4.724 4.350 -0.000 0.000 0.419 393 T C -3.267 171.468 174.700 0.059 0.000 1.582 393 T CA -0.942 61.178 62.100 0.033 0.000 1.146 393 T CB 1.389 70.223 68.868 -0.057 0.000 1.460 393 T HN 0.618 nan 8.240 nan 0.000 0.465 394 P HA 0.151 nan 4.420 nan 0.000 0.269 394 P C 1.077 178.458 177.300 0.135 0.000 1.209 394 P CA -0.018 63.117 63.100 0.059 0.000 0.776 394 P CB 0.846 32.563 31.700 0.028 0.000 0.876 395 S N 1.917 117.775 115.700 0.263 0.000 2.383 395 S HA -0.034 4.436 4.470 -0.000 0.000 0.227 395 S C 1.081 175.876 174.600 0.324 0.000 1.026 395 S CA 1.300 59.790 58.200 0.484 0.000 0.981 395 S CB -0.976 62.663 63.200 0.732 0.000 0.818 395 S HN 0.515 nan 8.310 nan 0.000 0.472 399 D N 0.878 121.292 120.400 0.023 0.000 2.737 399 D HA -0.227 4.413 4.640 -0.000 0.000 0.233 399 D C 0.900 177.212 176.300 0.021 0.000 1.155 399 D CA 2.144 56.160 54.000 0.026 0.000 0.667 399 D CB -0.796 40.016 40.800 0.020 0.000 1.060 399 D HN 0.862 nan 8.370 nan 0.000 0.427 400 G N -0.331 108.483 108.800 0.023 0.000 2.199 400 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.254 400 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.254 400 G C 1.057 175.997 174.900 0.067 0.000 0.982 400 G CA 0.719 45.824 45.100 0.009 0.000 0.632 400 G HN 0.484 nan 8.290 nan 0.000 0.529 401 K N -0.330 120.094 120.400 0.040 0.000 2.439 401 K HA 0.283 4.603 4.320 -0.000 0.000 0.197 401 K C 0.844 177.474 176.600 0.049 0.000 1.041 401 K CA 0.652 56.964 56.287 0.041 0.000 0.970 401 K CB 0.275 32.779 32.500 0.006 0.000 0.773 401 K HN 0.493 nan 8.250 nan 0.000 0.479 402 I N 0.327 120.906 120.570 0.016 0.000 2.465 402 I HA 0.071 4.241 4.170 -0.000 0.000 0.291 402 I C -0.485 175.524 176.117 -0.180 0.000 1.014 402 I CA -0.733 60.522 61.300 -0.074 0.000 1.093 402 I CB 2.101 40.070 38.000 -0.053 0.000 1.267 402 I HN -0.151 nan 8.210 nan 0.000 0.431 403 S N 3.076 118.514 115.700 -0.437 0.000 2.480 403 S HA 0.261 4.731 4.470 -0.000 0.000 0.286 403 S C 0.898 175.353 174.600 -0.242 0.000 1.180 403 S CA -0.471 57.386 58.200 -0.573 0.000 1.075 403 S CB 1.375 63.844 63.200 -1.218 0.000 0.996 403 S HN 0.627 nan 8.310 nan 0.000 0.487 404 S N 3.608 119.215 115.700 -0.155 0.000 2.515 404 S HA 0.177 4.647 4.470 -0.000 0.000 0.231 404 S C -0.276 174.019 174.600 -0.508 0.000 0.987 404 S CA 0.554 58.578 58.200 -0.293 0.000 0.936 404 S CB -0.260 62.734 63.200 -0.343 0.000 0.766 404 S HN 0.683 nan 8.310 nan 0.000 0.528 405 F N 1.380 121.278 119.950 -0.087 0.000 2.444 405 F HA 0.563 5.090 4.527 -0.000 0.000 0.342 405 F C 0.100 175.802 175.800 -0.163 0.000 1.121 405 F CA -1.057 56.884 58.000 -0.098 0.000 0.997 405 F CB 1.430 40.395 39.000 -0.058 0.000 1.130 405 F HN -0.166 nan 8.300 nan 0.000 0.454 406 V N 1.101 120.956 119.914 -0.098 0.000 3.141 406 V HA 0.747 4.867 4.120 -0.000 0.000 0.312 406 V C -2.881 172.958 176.094 -0.425 0.000 1.157 406 V CA -3.055 59.032 62.300 -0.355 0.000 1.041 406 V CB 1.897 33.588 31.823 -0.221 0.000 1.071 406 V HN 0.385 nan 8.190 nan 0.000 0.441 410 A N 1.901 124.735 122.820 0.024 0.000 2.216 410 A HA 0.211 4.531 4.320 -0.000 0.000 0.214 410 A C 0.705 178.282 177.584 -0.012 0.000 1.160 410 A CA 2.021 53.899 52.037 -0.266 0.000 0.725 410 A CB -0.647 17.944 19.000 -0.682 0.000 0.784 410 A HN 1.973 nan 8.150 nan 0.000 0.472 411 H N -0.967 118.080 119.070 -0.038 0.000 3.154 411 H HA 0.317 4.873 4.556 -0.000 0.000 0.330 411 H C -1.208 174.119 175.328 -0.001 0.000 1.033 411 H CA -0.654 55.381 56.048 -0.022 0.000 1.393 411 H CB 0.390 30.081 29.762 -0.119 0.000 1.951 411 H HN 0.352 nan 8.280 nan 0.000 0.466 412 H N 4.812 123.608 119.070 -0.456 0.000 2.652 412 H HA 0.130 4.685 4.556 -0.000 0.000 0.298 412 H C -0.143 174.967 175.328 -0.363 0.000 1.076 412 H CA -0.221 55.655 56.048 -0.285 0.000 1.360 412 H CB 1.312 30.968 29.762 -0.176 0.000 1.421 412 H HN 0.733 nan 8.280 nan 0.000 0.464 413 D N 1.736 122.046 120.400 -0.149 0.000 2.431 413 D HA 0.020 4.660 4.640 -0.000 0.000 0.227 413 D C -0.087 175.887 176.300 -0.543 0.000 1.030 413 D CA 0.766 54.602 54.000 -0.274 0.000 0.897 413 D CB 0.859 41.555 40.800 -0.173 0.000 1.058 413 D HN 0.612 nan 8.370 nan 0.000 0.500 414 H N -0.669 118.418 119.070 0.029 0.000 2.679 414 H HA 0.405 4.961 4.556 -0.000 0.000 0.360 414 H C -0.213 175.135 175.328 0.033 0.000 1.105 414 H CA -0.756 55.322 56.048 0.050 0.000 1.196 414 H CB 1.814 31.570 29.762 -0.009 0.000 1.636 414 H HN -0.193 nan 8.280 nan 0.000 0.531 415 S N 1.036 116.846 115.700 0.182 0.000 2.713 415 S HA 0.099 4.569 4.470 -0.000 0.000 0.283 415 S C 1.250 175.891 174.600 0.069 0.000 1.161 415 S CA -0.523 57.761 58.200 0.139 0.000 0.999 415 S CB 1.295 64.604 63.200 0.182 0.000 1.039 415 S HN 0.915 nan 8.310 nan 0.000 0.548 416 E N 0.140 120.305 120.200 -0.058 0.000 2.273 416 E HA -0.265 4.085 4.350 -0.000 0.000 0.198 416 E C 1.007 177.504 176.600 -0.172 0.000 1.002 416 E CA 1.628 57.944 56.400 -0.139 0.000 0.828 416 E CB -0.674 28.883 29.700 -0.238 0.000 0.747 416 E HN 0.794 nan 8.360 nan 0.000 0.491 417 H N -0.120 119.008 119.070 0.097 0.000 2.548 417 H HA 0.201 4.756 4.556 -0.000 0.000 0.268 417 H C 1.234 176.623 175.328 0.102 0.000 0.975 417 H CA 1.030 57.129 56.048 0.085 0.000 1.195 417 H CB 0.616 30.417 29.762 0.065 0.000 1.397 417 H HN 0.195 nan 8.280 nan 0.000 0.572 418 S N 0.038 115.864 115.700 0.209 0.000 2.539 418 S HA 0.100 4.570 4.470 -0.000 0.000 0.226 418 S C 0.827 175.565 174.600 0.229 0.000 1.054 418 S CA -0.219 58.111 58.200 0.218 0.000 0.910 418 S CB 0.991 64.347 63.200 0.260 0.000 0.818 418 S HN -0.055 nan 8.310 nan 0.000 0.490 419 V N 4.107 124.147 119.914 0.210 0.000 2.408 419 V HA 0.255 4.375 4.120 -0.000 0.000 0.267 419 V C 0.760 176.964 176.094 0.183 0.000 1.047 419 V CA -0.060 62.388 62.300 0.245 0.000 0.937 419 V CB 0.981 32.896 31.823 0.154 0.000 0.999 419 V HN 0.193 nan 8.190 nan 0.000 0.472 420 K N 3.499 124.012 120.400 0.188 0.000 2.244 420 K HA 0.288 4.607 4.320 -0.000 0.000 0.200 420 K C 0.114 176.785 176.600 0.119 0.000 1.052 420 K CA 0.697 57.070 56.287 0.143 0.000 0.980 420 K CB 0.680 33.266 32.500 0.143 0.000 0.838 420 K HN 0.480 nan 8.250 nan 0.000 0.481 421 V N 1.800 121.784 119.914 0.117 0.000 2.888 421 V HA 0.454 4.574 4.120 -0.000 0.000 0.309 421 V C -0.707 175.425 176.094 0.064 0.000 1.114 421 V CA -0.873 61.439 62.300 0.020 0.000 0.940 421 V CB 2.708 34.465 31.823 -0.110 0.000 1.021 421 V HN -0.023 nan 8.190 nan 0.000 0.426 422 I N 4.468 125.055 120.570 0.028 0.000 2.545 422 I HA 0.608 4.778 4.170 -0.000 0.000 0.292 422 I C -1.094 175.051 176.117 0.047 0.000 1.040 422 I CA -0.537 60.831 61.300 0.115 0.000 1.068 422 I CB 2.229 40.346 38.000 0.195 0.000 1.251 422 I HN 0.419 nan 8.210 nan 0.000 0.424 423 I N 4.690 125.313 120.570 0.090 0.000 2.534 423 I HA 0.357 4.527 4.170 -0.000 0.000 0.288 423 I C -0.100 176.093 176.117 0.127 0.000 1.077 423 I CA -0.160 61.174 61.300 0.057 0.000 1.051 423 I CB 2.233 40.223 38.000 -0.017 0.000 1.234 423 I HN 0.682 nan 8.210 nan 0.000 0.425 424 S N 3.771 119.557 115.700 0.142 0.000 2.823 424 S HA 0.373 4.843 4.470 -0.000 0.000 0.316 424 S C 0.801 175.418 174.600 0.029 0.000 1.116 424 S CA -0.590 57.700 58.200 0.151 0.000 0.911 424 S CB 1.382 64.773 63.200 0.318 0.000 1.276 424 S HN 0.684 nan 8.310 nan 0.000 0.565 425 E N 0.090 120.226 120.200 -0.107 0.000 2.347 425 E HA -0.127 4.223 4.350 -0.000 0.000 0.196 425 E C 1.044 177.464 176.600 -0.301 0.000 1.008 425 E CA 0.744 56.977 56.400 -0.278 0.000 0.852 425 E CB -0.442 28.971 29.700 -0.479 0.000 0.783 425 E HN 0.837 nan 8.360 nan 0.000 0.505 426 W N 1.716 123.028 121.300 0.020 0.000 2.658 426 W HA 0.252 4.912 4.660 -0.000 0.000 0.263 426 W C 1.170 177.677 176.519 -0.021 0.000 1.274 426 W CA 0.444 57.781 57.345 -0.015 0.000 1.343 426 W CB 0.507 29.944 29.460 -0.038 0.000 1.106 426 W HN 0.305 nan 8.180 nan 0.000 0.615 427 G N -0.660 108.245 108.800 0.176 0.000 2.343 427 G HA2 0.278 4.238 3.960 -0.000 0.000 0.289 427 G HA3 0.278 4.238 3.960 -0.000 0.000 0.289 427 G C -1.663 173.260 174.900 0.038 0.000 1.295 427 G CA -0.534 44.623 45.100 0.095 0.000 0.869 427 G HN 0.270 nan 8.290 nan 0.000 0.522 428 V N -2.346 117.562 119.914 -0.010 0.000 2.628 428 V HA 0.950 5.070 4.120 -0.000 0.000 0.306 428 V C 0.175 176.212 176.094 -0.095 0.000 1.045 428 V CA -0.126 62.114 62.300 -0.099 0.000 0.905 428 V CB 1.440 33.115 31.823 -0.247 0.000 0.997 428 V HN 2.443 nan 8.190 nan 0.000 0.436 429 A N 3.185 125.941 122.820 -0.105 0.000 2.328 429 A HA 0.550 4.870 4.320 -0.000 0.000 0.318 429 A C -0.372 177.170 177.584 -0.072 0.000 1.347 429 A CA -0.403 51.594 52.037 -0.066 0.000 0.842 429 A CB 0.404 19.376 19.000 -0.047 0.000 1.148 429 A HN 0.924 nan 8.150 nan 0.000 0.499 430 D N 2.901 123.273 120.400 -0.047 0.000 2.336 430 D HA 0.233 4.872 4.640 -0.000 0.000 0.249 430 D C 0.458 176.783 176.300 0.042 0.000 1.213 430 D CA -0.253 53.749 54.000 0.005 0.000 0.870 430 D CB 0.924 41.779 40.800 0.093 0.000 1.076 430 D HN 0.280 nan 8.370 nan 0.000 0.483 431 L N 3.491 124.745 121.223 0.052 0.000 2.509 431 L HA 0.134 4.474 4.340 -0.000 0.000 0.222 431 L C 1.227 178.140 176.870 0.071 0.000 1.123 431 L CA 0.428 55.304 54.840 0.060 0.000 0.856 431 L CB -0.519 41.580 42.059 0.065 0.000 0.985 431 L HN 0.226 nan 8.230 nan 0.000 0.456 432 R N -0.004 120.546 120.500 0.083 0.000 2.570 432 R HA 0.301 4.641 4.340 -0.000 0.000 0.277 432 R C 1.258 177.600 176.300 0.070 0.000 1.039 432 R CA 0.801 56.950 56.100 0.081 0.000 1.065 432 R CB -0.154 30.201 30.300 0.092 0.000 0.964 432 R HN 0.321 nan 8.270 nan 0.000 0.428 433 G N 1.986 110.824 108.800 0.063 0.000 2.153 433 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.252 433 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.252 433 G C -0.195 174.738 174.900 0.055 0.000 0.994 433 G CA 0.274 45.407 45.100 0.055 0.000 0.698 433 G HN 0.506 nan 8.290 nan 0.000 0.521 434 K N 0.277 120.713 120.400 0.060 0.000 2.259 434 K HA 0.428 4.748 4.320 -0.000 0.000 0.249 434 K C 0.620 177.261 176.600 0.067 0.000 0.942 434 K CA -0.429 55.895 56.287 0.062 0.000 0.816 434 K CB 1.373 33.911 32.500 0.064 0.000 1.155 434 K HN 0.491 nan 8.250 nan 0.000 0.428 435 N N 0.933 119.675 118.700 0.070 0.000 2.418 435 N HA 0.202 4.942 4.740 -0.000 0.000 0.283 435 N C -2.099 173.477 175.510 0.109 0.000 1.267 435 N CA -1.448 51.646 53.050 0.072 0.000 0.975 435 N CB 0.669 39.192 38.487 0.060 0.000 1.167 435 N HN 0.013 nan 8.380 nan 0.000 0.581 436 P HA -0.149 nan 4.420 nan 0.000 0.215 436 P C 1.091 178.605 177.300 0.356 0.000 1.157 436 P CA 1.620 64.889 63.100 0.282 0.000 0.874 436 P CB 0.077 31.831 31.700 0.090 0.000 0.790 437 R N -0.306 120.340 120.500 0.242 0.000 2.092 437 R HA -0.124 4.216 4.340 -0.000 0.000 0.231 437 R C 2.251 178.664 176.300 0.189 0.000 1.119 437 R CA 1.394 57.618 56.100 0.206 0.000 0.970 437 R CB -0.520 29.887 30.300 0.178 0.000 0.864 437 R HN 0.357 nan 8.270 nan 0.000 0.440 438 E N 0.247 120.541 120.200 0.157 0.000 2.106 438 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 438 E C 1.983 178.643 176.600 0.100 0.000 0.984 438 E CA 1.135 57.617 56.400 0.136 0.000 0.806 438 E CB -0.019 29.735 29.700 0.091 0.000 0.750 438 E HN 0.378 nan 8.360 nan 0.000 0.458 439 R N 0.653 121.200 120.500 0.079 0.000 2.200 439 R HA 0.169 4.508 4.340 -0.000 0.000 0.208 439 R C 2.091 178.365 176.300 -0.044 0.000 1.033 439 R CA 0.919 57.041 56.100 0.036 0.000 1.000 439 R CB -0.076 30.258 30.300 0.057 0.000 0.906 439 R HN 0.048 nan 8.270 nan 0.000 0.462 440 A N 1.251 124.005 122.820 -0.109 0.000 1.897 440 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 440 A C 1.607 179.036 177.584 -0.258 0.000 1.181 440 A CA 1.355 53.201 52.037 -0.318 0.000 0.620 440 A CB -0.723 17.968 19.000 -0.514 0.000 0.821 440 A HN 0.509 nan 8.150 nan 0.000 0.443 441 H N -1.249 117.771 119.070 -0.083 0.000 2.389 441 H HA -0.063 4.493 4.556 -0.000 0.000 0.299 441 H C 2.140 177.426 175.328 -0.071 0.000 1.081 441 H CA 1.562 57.571 56.048 -0.066 0.000 1.345 441 H CB 0.151 29.892 29.762 -0.035 0.000 1.393 441 H HN 0.586 nan 8.280 nan 0.000 0.520 442 E N 0.978 121.208 120.200 0.049 0.000 2.047 442 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 442 E C 1.959 178.523 176.600 -0.060 0.000 0.987 442 E CA 1.086 57.489 56.400 0.005 0.000 0.799 442 E CB -0.268 29.440 29.700 0.013 0.000 0.752 442 E HN 0.471 nan 8.360 nan 0.000 0.449 443 I N 0.293 120.801 120.570 -0.104 0.000 2.286 443 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 443 I C 2.248 178.196 176.117 -0.282 0.000 1.115 443 I CA 0.929 62.114 61.300 -0.191 0.000 1.392 443 I CB -0.250 37.638 38.000 -0.187 0.000 1.065 443 I HN 0.183 nan 8.210 nan 0.000 0.418 444 I N 0.628 121.070 120.570 -0.213 0.000 2.202 444 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 444 I C 1.992 178.021 176.117 -0.147 0.000 1.091 444 I CA 1.439 62.626 61.300 -0.188 0.000 1.368 444 I CB -0.437 37.485 38.000 -0.130 0.000 1.058 444 I HN 0.207 nan 8.210 nan 0.000 0.410 445 D N 0.629 120.976 120.400 -0.089 0.000 2.183 445 D HA -0.108 4.532 4.640 -0.000 0.000 0.203 445 D C 2.089 178.338 176.300 -0.085 0.000 0.969 445 D CA 1.025 54.981 54.000 -0.073 0.000 0.842 445 D CB -0.016 40.769 40.800 -0.025 0.000 0.957 445 D HN 0.240 nan 8.370 nan 0.000 0.484 446 K N -0.643 119.708 120.400 -0.083 0.000 2.313 446 K HA 0.181 4.501 4.320 -0.000 0.000 0.197 446 K C 1.899 178.490 176.600 -0.016 0.000 1.061 446 K CA 0.233 56.498 56.287 -0.038 0.000 0.980 446 K CB 0.015 32.499 32.500 -0.026 0.000 0.888 446 K HN 0.187 nan 8.250 nan 0.000 0.502 447 C N 0.742 119.953 119.300 -0.148 0.000 2.464 447 C HA 0.250 4.710 4.460 -0.000 0.000 0.348 447 C C 1.156 175.984 174.990 -0.269 0.000 1.367 447 C CA -0.507 58.402 59.018 -0.183 0.000 2.012 447 C CB 0.358 27.874 27.740 -0.375 0.000 2.434 447 C HN -0.045 nan 8.230 nan 0.000 0.536 448 V N 3.010 122.597 119.914 -0.545 0.000 2.872 448 V HA 0.016 4.136 4.120 -0.000 0.000 0.307 448 V C 0.574 176.653 176.094 -0.025 0.000 1.072 448 V CA 0.409 62.525 62.300 -0.307 0.000 1.148 448 V CB -0.083 31.595 31.823 -0.242 0.000 0.954 448 V HN 0.532 nan 8.190 nan 0.000 0.490 449 H N 6.748 125.908 119.070 0.151 0.000 2.683 449 H HA 0.144 4.700 4.556 -0.000 0.000 0.339 449 H C -1.792 173.474 175.328 -0.104 0.000 1.081 449 H CA -1.874 54.223 56.048 0.083 0.000 1.432 449 H CB 1.709 31.762 29.762 0.486 0.000 1.462 449 H HN 0.353 nan 8.280 nan 0.000 0.557 450 P HA -0.208 nan 4.420 nan 0.000 0.220 450 P C 0.902 178.221 177.300 0.031 0.000 1.155 450 P CA 1.701 64.647 63.100 -0.256 0.000 0.880 450 P CB 0.310 31.731 31.700 -0.465 0.000 0.790 451 D N -2.925 117.645 120.400 0.283 0.000 2.309 451 D HA -0.137 4.503 4.640 -0.000 0.000 0.212 451 D C 1.027 177.111 176.300 -0.359 0.000 0.968 451 D CA 1.190 55.129 54.000 -0.102 0.000 0.882 451 D CB -0.333 40.271 40.800 -0.325 0.000 0.918 451 D HN 0.393 nan 8.370 nan 0.000 0.503 452 Y N -0.851 119.517 120.300 0.114 0.000 2.527 452 Y HA 0.249 4.799 4.550 -0.000 0.000 0.247 452 Y C 1.930 177.912 175.900 0.136 0.000 1.138 452 Y CA -0.473 57.708 58.100 0.136 0.000 1.228 452 Y CB 0.483 39.071 38.460 0.213 0.000 1.252 452 Y HN -0.179 nan 8.280 nan 0.000 0.531 453 R N 0.857 121.456 120.500 0.164 0.000 2.073 453 R HA -0.085 4.255 4.340 -0.000 0.000 0.234 453 R C -0.794 175.567 176.300 0.101 0.000 1.134 453 R CA 1.501 57.650 56.100 0.082 0.000 0.952 453 R CB -1.901 28.386 30.300 -0.021 0.000 0.850 453 R HN 0.281 nan 8.270 nan 0.000 0.433 454 P HA -0.134 nan 4.420 nan 0.000 0.218 454 P C 1.513 178.932 177.300 0.198 0.000 1.149 454 P CA 0.931 64.095 63.100 0.107 0.000 0.817 454 P CB -0.007 31.730 31.700 0.063 0.000 0.785 455 L N -0.526 120.854 121.223 0.261 0.000 2.093 455 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 455 L C 2.538 179.779 176.870 0.618 0.000 1.085 455 L CA 1.540 56.655 54.840 0.460 0.000 0.755 455 L CB -1.470 40.831 42.059 0.402 0.000 0.904 455 L HN -0.149 nan 8.230 nan 0.000 0.435 456 L N -1.460 120.007 121.223 0.406 0.000 2.313 456 L HA -0.091 4.249 4.340 -0.000 0.000 0.214 456 L C 2.554 179.496 176.870 0.120 0.000 1.119 456 L CA 0.511 55.486 54.840 0.224 0.000 0.809 456 L CB -0.347 41.755 42.059 0.071 0.000 0.933 456 L HN 0.201 nan 8.230 nan 0.000 0.449 457 R N -0.327 120.249 120.500 0.126 0.000 2.090 457 R HA -0.107 4.233 4.340 -0.000 0.000 0.228 457 R C 2.174 178.524 176.300 0.083 0.000 1.110 457 R CA 0.947 57.089 56.100 0.070 0.000 0.973 457 R CB -0.128 30.233 30.300 0.101 0.000 0.869 457 R HN 0.458 nan 8.270 nan 0.000 0.440 458 Q N -0.604 119.295 119.800 0.165 0.000 2.224 458 Q HA -0.181 4.159 4.340 -0.000 0.000 0.203 458 Q C 1.566 177.504 176.000 -0.103 0.000 0.970 458 Q CA 1.174 57.057 55.803 0.134 0.000 0.865 458 Q CB -0.069 28.886 28.738 0.361 0.000 0.922 458 Q HN 0.353 nan 8.270 nan 0.000 0.445 459 Y N 0.834 120.943 120.300 -0.318 0.000 2.293 459 Y HA -0.136 4.414 4.550 -0.000 0.000 0.291 459 Y C 1.498 177.170 175.900 -0.381 0.000 1.137 459 Y CA 1.061 58.745 58.100 -0.692 0.000 1.202 459 Y CB 0.080 38.156 38.460 -0.640 0.000 0.990 459 Y HN 0.026 nan 8.280 nan 0.000 0.537 460 L N 0.120 121.215 121.223 -0.212 0.000 2.552 460 L HA -0.017 4.323 4.340 -0.000 0.000 0.227 460 L C 0.714 177.487 176.870 -0.163 0.000 1.146 460 L CA 0.609 55.337 54.840 -0.186 0.000 0.858 460 L CB -0.102 41.885 42.059 -0.119 0.000 0.969 460 L HN 0.100 nan 8.230 nan 0.000 0.451 461 E N 0.165 120.263 120.200 -0.170 0.000 2.736 461 E HA 0.208 4.558 4.350 -0.000 0.000 0.208 461 E C 0.913 177.424 176.600 -0.147 0.000 0.996 461 E CA 0.042 56.376 56.400 -0.110 0.000 1.104 461 E CB 0.620 30.299 29.700 -0.035 0.000 1.111 461 E HN 0.404 nan 8.360 nan 0.000 0.455 462 L N -0.188 120.881 121.223 -0.257 0.000 2.629 462 L HA 0.209 4.549 4.340 -0.000 0.000 0.230 462 L C 1.211 177.983 176.870 -0.163 0.000 1.151 462 L CA 0.348 55.047 54.840 -0.234 0.000 0.924 462 L CB -0.095 41.732 42.059 -0.387 0.000 1.137 462 L HN 0.341 nan 8.230 nan 0.000 0.457 463 G N -0.101 108.619 108.800 -0.133 0.000 2.179 463 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 463 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 463 G C 0.334 175.173 174.900 -0.101 0.000 0.977 463 G CA 0.054 45.098 45.100 -0.093 0.000 0.641 463 G HN 0.123 nan 8.290 nan 0.000 0.533 464 V N 1.314 121.140 119.914 -0.146 0.000 2.585 464 V HA 0.302 4.422 4.120 -0.000 0.000 0.296 464 V C 0.877 176.910 176.094 -0.103 0.000 1.035 464 V CA 0.460 62.678 62.300 -0.136 0.000 1.084 464 V CB 1.194 32.903 31.823 -0.190 0.000 0.953 464 V HN 0.348 nan 8.190 nan 0.000 0.483 465 K N 3.202 123.553 120.400 -0.081 0.000 2.138 465 K HA 0.752 5.072 4.320 -0.000 0.000 0.263 465 K C 0.324 176.883 176.600 -0.069 0.000 0.965 465 K CA 0.126 56.375 56.287 -0.064 0.000 0.868 465 K CB 1.795 34.266 32.500 -0.049 0.000 1.083 465 K HN 1.055 nan 8.250 nan 0.000 0.443 466 G N 0.948 109.712 108.800 -0.060 0.000 2.355 466 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.619 466 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.619 466 G C 0.127 174.985 174.900 -0.070 0.000 1.337 466 G CA -0.354 44.708 45.100 -0.064 0.000 0.993 466 G HN 0.539 nan 8.290 nan 0.000 0.599 467 Q N -0.585 119.174 119.800 -0.070 0.000 2.077 467 Q HA 0.027 4.367 4.340 -0.000 0.000 0.206 467 Q C 1.311 177.236 176.000 -0.124 0.000 0.989 467 Q CA 2.862 58.623 55.803 -0.070 0.000 0.853 467 Q CB -0.207 28.495 28.738 -0.059 0.000 0.907 467 Q HN 0.768 nan 8.270 nan 0.000 0.418 468 T N 2.265 116.698 114.554 -0.202 0.000 2.809 468 T HA 0.374 4.724 4.350 -0.000 0.000 0.296 468 T C -2.566 171.926 174.700 -0.346 0.000 1.015 468 T CA -1.451 60.408 62.100 -0.401 0.000 0.954 468 T CB 1.628 70.195 68.868 -0.500 0.000 0.950 468 T HN 0.109 nan 8.240 nan 0.000 0.450 469 P HA 0.105 nan 4.420 nan 0.000 0.262 469 P C 0.013 177.224 177.300 -0.148 0.000 1.647 469 P CA -0.117 62.892 63.100 -0.150 0.000 0.865 469 P CB 0.012 31.697 31.700 -0.024 0.000 1.834 470 Q N 1.352 121.048 119.800 -0.173 0.000 2.267 470 Q HA 0.150 4.490 4.340 -0.000 0.000 0.255 470 Q C 0.067 176.014 176.000 -0.089 0.000 0.923 470 Q CA 0.115 55.899 55.803 -0.031 0.000 0.925 470 Q CB 0.825 29.518 28.738 -0.074 0.000 1.195 470 Q HN 0.108 nan 8.270 nan 0.000 0.417 471 N N 3.862 122.531 118.700 -0.052 0.000 2.678 471 N HA 0.049 4.789 4.740 -0.000 0.000 0.231 471 N C 0.486 175.999 175.510 0.004 0.000 1.038 471 N CA -0.173 52.823 53.050 -0.090 0.000 0.932 471 N CB 0.552 38.914 38.487 -0.208 0.000 1.176 471 N HN 0.382 nan 8.380 nan 0.000 0.511 472 L N 2.197 123.406 121.223 -0.024 0.000 2.450 472 L HA -0.138 4.202 4.340 -0.000 0.000 0.225 472 L C 1.471 178.364 176.870 0.038 0.000 1.145 472 L CA 1.291 56.120 54.840 -0.017 0.000 0.801 472 L CB -0.227 41.822 42.059 -0.017 0.000 0.924 472 L HN 0.452 nan 8.230 nan 0.000 0.447 473 D N -1.892 118.548 120.400 0.068 0.000 2.289 473 D HA 0.001 4.641 4.640 -0.000 0.000 0.207 473 D C 1.520 177.947 176.300 0.211 0.000 0.966 473 D CA 1.247 55.321 54.000 0.124 0.000 0.868 473 D CB 0.219 41.087 40.800 0.113 0.000 0.943 473 D HN 0.576 nan 8.370 nan 0.000 0.514 474 C N -1.057 118.379 119.300 0.227 0.000 3.692 474 C HA 0.287 4.747 4.460 -0.000 0.000 0.277 474 C C 2.421 177.593 174.990 0.303 0.000 2.095 474 C CA -0.827 58.404 59.018 0.355 0.000 1.666 474 C CB -1.305 26.757 27.740 0.536 0.000 3.354 474 C HN 0.396 nan 8.230 nan 0.000 0.474 475 C N -0.963 118.395 119.300 0.097 0.000 2.409 475 C HA 0.117 4.577 4.460 -0.000 0.000 0.284 475 C C 1.648 176.542 174.990 -0.160 0.000 1.354 475 C CA 0.800 59.740 59.018 -0.129 0.000 1.787 475 C CB -2.111 25.440 27.740 -0.316 0.000 1.900 475 C HN 0.642 nan 8.230 nan 0.000 0.520 476 F N 0.598 120.662 119.950 0.191 0.000 2.647 476 F HA 0.427 4.953 4.527 -0.000 0.000 0.300 476 F C 2.326 178.252 175.800 0.209 0.000 1.106 476 F CA -0.008 58.143 58.000 0.251 0.000 1.313 476 F CB 0.013 39.132 39.000 0.197 0.000 1.007 476 F HN 0.176 nan 8.300 nan 0.000 0.536 477 A N 0.427 123.392 122.820 0.241 0.000 1.940 477 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 477 A C 1.844 179.353 177.584 -0.125 0.000 1.176 477 A CA 1.588 53.467 52.037 -0.263 0.000 0.631 477 A CB -0.807 17.799 19.000 -0.657 0.000 0.814 477 A HN 0.326 nan 8.150 nan 0.000 0.446 478 F N 0.149 119.983 119.950 -0.193 0.000 2.095 478 F HA -0.177 4.350 4.527 0.000 0.000 0.298 478 F C 2.623 178.312 175.800 -0.185 0.000 1.104 478 F CA 1.503 59.363 58.000 -0.234 0.000 1.232 478 F CB -0.920 37.903 39.000 -0.295 0.000 0.987 478 F HN 0.396 nan 8.300 nan 0.000 0.475 479 H N -0.510 118.687 119.070 0.211 0.000 2.357 479 H HA -0.113 4.443 4.556 -0.000 0.000 0.301 479 H C 2.162 177.541 175.328 0.085 0.000 1.082 479 H CA 1.552 57.665 56.048 0.109 0.000 1.342 479 H CB -0.552 29.253 29.762 0.072 0.000 1.389 479 H HN 0.404 nan 8.280 nan 0.000 0.511 480 Q N 0.371 120.324 119.800 0.255 0.000 2.084 480 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 480 Q C 2.319 178.438 176.000 0.199 0.000 0.978 480 Q CA 1.391 57.336 55.803 0.236 0.000 0.844 480 Q CB 0.069 29.020 28.738 0.356 0.000 0.898 480 Q HN 0.285 nan 8.270 nan 0.000 0.426 481 E N 0.830 121.114 120.200 0.140 0.000 2.150 481 E HA -0.181 4.168 4.350 -0.000 0.000 0.193 481 E C 1.701 178.326 176.600 0.041 0.000 0.985 481 E CA 0.551 57.016 56.400 0.108 0.000 0.814 481 E CB -0.191 29.495 29.700 -0.023 0.000 0.752 481 E HN 0.231 nan 8.360 nan 0.000 0.466 482 L N 0.224 121.458 121.223 0.019 0.000 2.046 482 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 482 L C 2.141 179.030 176.870 0.031 0.000 1.077 482 L CA 2.341 57.186 54.840 0.009 0.000 0.747 482 L CB -0.990 41.076 42.059 0.011 0.000 0.896 482 L HN 0.161 nan 8.230 nan 0.000 0.432 483 A N -0.837 122.017 122.820 0.057 0.000 1.969 483 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 483 A C 2.155 179.768 177.584 0.048 0.000 1.169 483 A CA 1.444 53.513 52.037 0.053 0.000 0.635 483 A CB -0.377 18.663 19.000 0.066 0.000 0.810 483 A HN 0.429 nan 8.150 nan 0.000 0.445 484 K N -0.231 120.207 120.400 0.063 0.000 2.029 484 K HA 0.104 4.424 4.320 -0.000 0.000 0.205 484 K C 1.962 178.580 176.600 0.030 0.000 1.042 484 K CA 1.629 57.947 56.287 0.052 0.000 0.949 484 K CB -0.762 31.784 32.500 0.077 0.000 0.740 484 K HN 0.364 nan 8.250 nan 0.000 0.442 485 S N -1.030 114.686 115.700 0.025 0.000 2.483 485 S HA 0.181 4.651 4.470 -0.000 0.000 0.221 485 S C 1.229 175.828 174.600 -0.002 0.000 1.030 485 S CA 0.615 58.819 58.200 0.006 0.000 0.925 485 S CB 0.683 63.880 63.200 -0.004 0.000 0.795 485 S HN 0.559 nan 8.310 nan 0.000 0.511 486 G N 1.453 110.252 108.800 -0.001 0.000 2.175 486 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.244 486 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.244 486 G C -0.220 174.671 174.900 -0.015 0.000 0.982 486 G CA 0.337 45.434 45.100 -0.005 0.000 0.641 486 G HN 0.508 nan 8.290 nan 0.000 0.527 490 N N 0.876 119.461 118.700 -0.192 0.000 2.521 490 N HA 0.036 4.776 4.740 -0.000 0.000 0.188 490 N C 0.001 175.431 175.510 -0.133 0.000 1.146 490 N CA 0.500 53.471 53.050 -0.131 0.000 0.893 490 N CB 0.451 38.893 38.487 -0.075 0.000 0.975 490 N HN -0.046 nan 8.380 nan 0.000 0.451 491 V N 1.451 121.214 119.914 -0.252 0.000 2.715 491 V HA 0.120 4.239 4.120 -0.000 0.000 0.299 491 V C 0.548 176.443 176.094 -0.332 0.000 1.054 491 V CA 0.107 62.217 62.300 -0.317 0.000 1.077 491 V CB 0.683 32.118 31.823 -0.647 0.000 0.972 491 V HN 0.112 nan 8.190 nan 0.000 0.484 492 R N 2.796 123.160 120.500 -0.227 0.000 2.518 492 R HA 0.207 4.547 4.340 -0.000 0.000 0.296 492 R C -0.134 176.144 176.300 -0.036 0.000 1.080 492 R CA -0.534 55.467 56.100 -0.165 0.000 0.922 492 R CB 1.135 31.421 30.300 -0.024 0.000 1.184 492 R HN 0.783 nan 8.270 nan 0.000 0.445 493 W N 1.307 122.741 121.300 0.224 0.000 2.331 493 W HA -0.180 4.480 4.660 0.000 0.000 0.291 493 W C 1.385 178.028 176.519 0.208 0.000 1.214 493 W CA 0.650 58.140 57.345 0.242 0.000 1.228 493 W CB 0.191 29.766 29.460 0.192 0.000 1.135 493 W HN 0.582 nan 8.180 nan 0.000 0.537 494 E N -0.066 120.324 120.200 0.317 0.000 2.338 494 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 494 E C 1.328 178.018 176.600 0.150 0.000 1.007 494 E CA 1.202 57.725 56.400 0.205 0.000 0.849 494 E CB -0.375 29.408 29.700 0.139 0.000 0.774 494 E HN 0.212 nan 8.360 nan 0.000 0.506 495 D N -1.167 119.323 120.400 0.150 0.000 2.240 495 D HA -0.020 4.619 4.640 -0.000 0.000 0.206 495 D C 0.121 176.382 176.300 -0.064 0.000 0.963 495 D CA 0.599 54.610 54.000 0.018 0.000 0.863 495 D CB 0.131 40.912 40.800 -0.032 0.000 0.973 495 D HN 0.153 nan 8.370 nan 0.000 0.501 496 Y N 0.000 120.387 120.300 0.145 0.000 2.660 496 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 496 Y CA 0.000 58.214 58.100 0.190 0.000 1.940 496 Y CB 0.000 38.623 38.460 0.272 0.000 1.050 496 Y HN 0.000 nan 8.280 nan 0.000 0.758