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 2wpc_1_A DATA FIRST_RESID -1 DATA SEQUENCE SHMSKAFDLV VIGAGSGGLE AGWNAATLYG KRVAVVDVQT SHGPPFYAAL DATA SEQUENCE GGTcVNVGcV PKKLMVTGAQ YMDHLRESAG FGWEFDGSSV KANWKKLIAA DATA SEQUENCE KNEAVLDINK SYEGMFNDTE GLDFFLGWGS LESKNVVVVR ETADPKSAVK DATA SEQUENCE ERLQADHILL ATGSWPQMPA IPGIEHCISS NEAFYLPEPP RRVLTVGGGF DATA SEQUENCE ISVEFAGIFN AYKPPGGKVT LCYRNNLILR GFDETIREEV TKQLTANGIE DATA SEQUENCE IMTNENPAKV SLNTDGSKHV TFESGKTLDV DVVMMAIGRI PRTNDLQLGN DATA SEQUENCE VGVKLTPKGG VQVDEFSRTN VPNIYAIGDI TDRLMLTPVA INEGAALVDT DATA SEQUENCE VFGNKPRKTD HTRVASAVFS IPPIGTCGLI EEVAAKEFEK VAVYMSSFTP DATA SEQUENCE LMHNISGSKY KKFVAKIVTN HSDGTVLGVH LLGDGAPEII QAVGVCLRLN DATA SEQUENCE AKISDFYNTI GVHPTSAEEL CSMRTPSYYY VKGEKMEKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.321 174.600 -0.465 0.000 1.055 -1 S CA 0.000 57.978 58.200 -0.371 0.000 1.107 -1 S CB 0.000 63.120 63.200 -0.134 0.000 0.593 0 H N 0.705 119.789 119.070 0.023 0.000 2.487 0 H HA 0.459 5.014 4.556 -0.001 0.000 0.290 0 H C -0.301 175.035 175.328 0.013 0.000 1.081 0 H CA -0.002 56.058 56.048 0.020 0.000 1.116 0 H CB -0.081 29.690 29.762 0.015 0.000 1.560 0 H HN 0.365 nan 8.280 nan 0.000 0.548 1 M N 0.950 120.581 119.600 0.052 0.000 2.508 1 M HA 0.239 4.718 4.480 -0.001 0.000 0.327 1 M C 0.803 177.112 176.300 0.015 0.000 1.160 1 M CA -0.751 54.568 55.300 0.032 0.000 0.980 1 M CB 2.134 34.743 32.600 0.015 0.000 1.693 1 M HN 0.036 nan 8.290 nan 0.000 0.452 2 S N 2.205 117.906 115.700 0.002 0.000 2.580 2 S HA 0.327 4.796 4.470 -0.001 0.000 0.266 2 S C -0.350 174.229 174.600 -0.035 0.000 1.354 2 S CA -0.378 57.812 58.200 -0.017 0.000 1.008 2 S CB 0.711 63.898 63.200 -0.022 0.000 0.898 2 S HN 0.601 nan 8.310 nan 0.000 0.555 3 K N 0.465 120.838 120.400 -0.046 0.000 2.267 3 K HA 0.767 5.086 4.320 -0.001 0.000 0.246 3 K C -0.678 175.757 176.600 -0.276 0.000 0.954 3 K CA -0.830 55.369 56.287 -0.147 0.000 0.824 3 K CB 2.037 34.522 32.500 -0.024 0.000 1.167 3 K HN 0.785 nan 8.250 nan 0.000 0.431 4 A N 1.864 124.329 122.820 -0.592 0.000 2.355 4 A HA 0.874 5.194 4.320 -0.001 0.000 0.324 4 A C -1.262 175.781 177.584 -0.902 0.000 1.117 4 A CA -0.607 51.141 52.037 -0.482 0.000 0.785 4 A CB 0.533 19.391 19.000 -0.237 0.000 1.254 4 A HN 0.565 nan 8.150 nan 0.000 0.453 5 F N -0.262 119.708 119.950 0.033 0.000 2.645 5 F HA 0.352 4.878 4.527 -0.001 0.000 0.310 5 F C 0.622 176.471 175.800 0.083 0.000 1.102 5 F CA -0.767 57.267 58.000 0.058 0.000 0.952 5 F CB 1.772 40.818 39.000 0.076 0.000 1.326 5 F HN 0.592 nan 8.300 nan 0.000 0.456 6 D N 0.468 121.027 120.400 0.264 0.000 2.149 6 D HA -0.002 4.637 4.640 -0.001 0.000 0.201 6 D C -0.029 176.528 176.300 0.428 0.000 0.972 6 D CA 1.602 55.764 54.000 0.270 0.000 0.835 6 D CB 0.502 41.339 40.800 0.062 0.000 0.966 6 D HN 0.145 nan 8.370 nan 0.000 0.476 7 L N 0.735 122.169 121.223 0.351 0.000 2.438 7 L HA 0.320 4.660 4.340 -0.001 0.000 0.270 7 L C -1.350 175.647 176.870 0.212 0.000 0.972 7 L CA -0.664 54.389 54.840 0.356 0.000 0.831 7 L CB 2.353 44.621 42.059 0.347 0.000 1.273 7 L HN -0.361 nan 8.230 nan 0.000 0.405 8 V N 5.511 125.526 119.914 0.168 0.000 2.459 8 V HA 0.606 4.725 4.120 -0.001 0.000 0.295 8 V C -0.493 175.647 176.094 0.077 0.000 1.029 8 V CA -0.673 61.643 62.300 0.028 0.000 0.874 8 V CB 1.897 33.709 31.823 -0.018 0.000 0.985 8 V HN 0.515 nan 8.190 nan 0.000 0.438 9 V N 6.247 126.193 119.914 0.052 0.000 2.384 9 V HA 0.484 4.604 4.120 -0.001 0.000 0.287 9 V C -0.121 175.996 176.094 0.039 0.000 1.020 9 V CA -0.425 61.927 62.300 0.087 0.000 0.850 9 V CB 1.703 33.602 31.823 0.127 0.000 0.987 9 V HN 0.672 nan 8.190 nan 0.000 0.436 10 I N 4.529 125.122 120.570 0.038 0.000 2.297 10 I HA 0.702 4.872 4.170 -0.001 0.000 0.291 10 I C 0.732 176.861 176.117 0.019 0.000 1.033 10 I CA -0.108 61.192 61.300 0.001 0.000 1.253 10 I CB 1.107 39.105 38.000 -0.005 0.000 1.396 10 I HN 0.871 nan 8.210 nan 0.000 0.476 11 G N 4.513 113.316 108.800 0.006 0.000 3.435 11 G HA2 0.111 4.070 3.960 -0.001 0.000 0.683 11 G HA3 0.111 4.070 3.960 -0.001 0.000 0.683 11 G C -0.336 174.620 174.900 0.093 0.000 1.189 11 G CA -0.428 44.691 45.100 0.031 0.000 1.069 11 G HN 0.918 nan 8.290 nan 0.000 0.508 12 A N 1.706 124.602 122.820 0.127 0.000 3.202 12 A HA 0.766 5.085 4.320 -0.001 0.000 0.258 12 A C 1.320 179.014 177.584 0.184 0.000 1.572 12 A CA 1.210 53.369 52.037 0.203 0.000 1.241 12 A CB -0.294 18.878 19.000 0.287 0.000 1.127 12 A HN 2.007 nan 8.150 nan 0.000 0.648 13 G N -0.800 108.090 108.800 0.150 0.000 3.039 13 G HA2 0.397 4.356 3.960 -0.001 0.000 0.159 13 G HA3 0.397 4.356 3.960 -0.001 0.000 0.159 13 G C 1.059 176.031 174.900 0.120 0.000 1.284 13 G CA 0.552 45.738 45.100 0.142 0.000 0.996 13 G HN 0.236 nan 8.290 nan 0.000 0.592 14 S N -0.149 115.618 115.700 0.111 0.000 2.353 14 S HA -0.101 4.368 4.470 -0.001 0.000 0.222 14 S C 2.437 177.084 174.600 0.077 0.000 1.035 14 S CA 1.852 60.104 58.200 0.087 0.000 1.025 14 S CB -0.762 62.490 63.200 0.087 0.000 0.902 14 S HN 0.751 nan 8.310 nan 0.000 0.440 15 G N 0.863 109.718 108.800 0.091 0.000 2.404 15 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.215 15 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.215 15 G C 1.442 176.404 174.900 0.103 0.000 1.174 15 G CA 0.901 46.056 45.100 0.092 0.000 0.780 15 G HN 0.565 nan 8.290 nan 0.000 0.537 16 G N 0.667 109.537 108.800 0.116 0.000 2.408 16 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.217 16 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.217 16 G C 1.789 176.780 174.900 0.151 0.000 1.150 16 G CA 0.530 45.712 45.100 0.136 0.000 0.776 16 G HN 0.399 nan 8.290 nan 0.000 0.542 17 L N -0.019 121.282 121.223 0.129 0.000 2.093 17 L HA -0.021 4.319 4.340 -0.001 0.000 0.208 17 L C 2.765 179.687 176.870 0.085 0.000 1.085 17 L CA 1.385 56.286 54.840 0.101 0.000 0.755 17 L CB -0.260 41.793 42.059 -0.009 0.000 0.904 17 L HN 0.265 nan 8.230 nan 0.000 0.435 18 E N 0.607 120.849 120.200 0.071 0.000 2.047 18 E HA -0.193 4.157 4.350 -0.001 0.000 0.191 18 E C 2.144 178.831 176.600 0.145 0.000 0.987 18 E CA 1.508 57.961 56.400 0.089 0.000 0.799 18 E CB -0.100 29.637 29.700 0.061 0.000 0.752 18 E HN 0.340 nan 8.360 nan 0.000 0.449 19 A N 0.259 123.161 122.820 0.136 0.000 1.873 19 A HA -0.144 4.176 4.320 -0.001 0.000 0.218 19 A C 2.491 180.180 177.584 0.174 0.000 1.193 19 A CA 2.212 54.341 52.037 0.153 0.000 0.629 19 A CB -1.517 17.570 19.000 0.145 0.000 0.826 19 A HN 0.440 nan 8.150 nan 0.000 0.447 20 G N -1.900 107.008 108.800 0.180 0.000 2.394 20 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.214 20 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.214 20 G C 1.523 176.502 174.900 0.132 0.000 1.176 20 G CA 0.838 46.041 45.100 0.171 0.000 0.786 20 G HN 0.668 nan 8.290 nan 0.000 0.533 21 W N 1.925 123.196 121.300 -0.047 0.000 2.335 21 W HA -0.159 4.500 4.660 -0.001 0.000 0.311 21 W C 1.997 178.473 176.519 -0.071 0.000 1.213 21 W CA 1.573 58.852 57.345 -0.110 0.000 1.274 21 W CB -0.339 29.023 29.460 -0.163 0.000 1.148 21 W HN 0.167 nan 8.180 nan 0.000 0.498 22 N N 0.912 119.679 118.700 0.111 0.000 2.043 22 N HA -0.179 4.560 4.740 -0.001 0.000 0.193 22 N C 2.014 177.506 175.510 -0.030 0.000 1.037 22 N CA 2.798 55.862 53.050 0.022 0.000 0.851 22 N CB -1.289 37.285 38.487 0.144 0.000 1.027 22 N HN 0.171 nan 8.380 nan 0.000 0.422 23 A N 0.580 123.454 122.820 0.090 0.000 1.917 23 A HA -0.066 4.254 4.320 -0.001 0.000 0.219 23 A C 2.297 179.819 177.584 -0.104 0.000 1.182 23 A CA 2.296 54.375 52.037 0.070 0.000 0.633 23 A CB -1.019 18.014 19.000 0.055 0.000 0.819 23 A HN 0.361 nan 8.150 nan 0.000 0.448 24 A N -0.851 121.868 122.820 -0.169 0.000 1.897 24 A HA -0.008 4.311 4.320 -0.001 0.000 0.215 24 A C 2.412 179.797 177.584 -0.332 0.000 1.181 24 A CA 2.357 54.259 52.037 -0.226 0.000 0.620 24 A CB -1.050 17.816 19.000 -0.223 0.000 0.821 24 A HN 0.755 nan 8.150 nan 0.000 0.443 25 T N -2.671 111.569 114.554 -0.524 0.000 3.044 25 T HA 0.206 4.556 4.350 -0.001 0.000 0.255 25 T C 1.733 176.180 174.700 -0.422 0.000 1.073 25 T CA 0.897 62.651 62.100 -0.576 0.000 1.125 25 T CB -0.239 68.031 68.868 -0.998 0.000 0.908 25 T HN 0.231 nan 8.240 nan 0.000 0.480 26 L N -1.418 119.527 121.223 -0.462 0.000 2.249 26 L HA 0.261 4.600 4.340 -0.001 0.000 0.207 26 L C 1.498 177.973 176.870 -0.658 0.000 1.090 26 L CA 0.823 55.278 54.840 -0.640 0.000 0.802 26 L CB -0.079 41.386 42.059 -0.989 0.000 0.947 26 L HN 0.224 nan 8.230 nan 0.000 0.453 27 Y N -0.709 119.521 120.300 -0.118 0.000 2.500 27 Y HA 0.366 4.916 4.550 -0.001 0.000 0.246 27 Y C 1.602 177.419 175.900 -0.138 0.000 1.146 27 Y CA -0.220 57.819 58.100 -0.101 0.000 1.230 27 Y CB 0.264 38.684 38.460 -0.065 0.000 1.214 27 Y HN 0.143 nan 8.280 nan 0.000 0.526 28 G N 0.879 109.641 108.800 -0.064 0.000 2.203 28 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.263 28 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.263 28 G C 0.301 175.141 174.900 -0.100 0.000 1.012 28 G CA 0.089 45.141 45.100 -0.081 0.000 0.749 28 G HN 0.089 nan 8.290 nan 0.000 0.512 29 K N -0.279 120.024 120.400 -0.162 0.000 2.107 29 K HA 0.413 4.733 4.320 -0.001 0.000 0.251 29 K C 0.817 177.354 176.600 -0.104 0.000 1.012 29 K CA -0.507 55.639 56.287 -0.235 0.000 0.920 29 K CB 0.752 32.904 32.500 -0.580 0.000 1.033 29 K HN 0.316 nan 8.250 nan 0.000 0.478 30 R N 0.731 121.217 120.500 -0.023 0.000 2.229 30 R HA 0.360 4.699 4.340 -0.001 0.000 0.328 30 R C -0.622 175.831 176.300 0.255 0.000 1.009 30 R CA -0.506 55.671 56.100 0.128 0.000 0.864 30 R CB 1.025 31.399 30.300 0.123 0.000 1.085 30 R HN 0.203 nan 8.270 nan 0.000 0.453 31 V N 1.997 122.074 119.914 0.271 0.000 2.735 31 V HA 0.698 4.817 4.120 -0.001 0.000 0.310 31 V C -0.440 175.679 176.094 0.042 0.000 1.061 31 V CA -0.918 61.484 62.300 0.171 0.000 0.913 31 V CB 1.934 33.825 31.823 0.114 0.000 1.005 31 V HN 0.888 nan 8.190 nan 0.000 0.428 32 A N 3.650 126.283 122.820 -0.313 0.000 2.365 32 A HA 0.952 5.271 4.320 -0.001 0.000 0.318 32 A C -1.125 176.391 177.584 -0.114 0.000 1.091 32 A CA -0.610 51.160 52.037 -0.445 0.000 0.763 32 A CB 1.872 20.109 19.000 -1.272 0.000 1.248 32 A HN 0.750 nan 8.150 nan 0.000 0.442 33 V N 2.079 121.990 119.914 -0.006 0.000 2.686 33 V HA 0.501 4.621 4.120 -0.001 0.000 0.306 33 V C -0.635 175.348 176.094 -0.184 0.000 1.065 33 V CA -0.563 61.741 62.300 0.007 0.000 0.894 33 V CB 1.761 33.714 31.823 0.217 0.000 1.004 33 V HN 0.707 nan 8.190 nan 0.000 0.424 34 V N 3.410 123.217 119.914 -0.178 0.000 2.459 34 V HA 0.661 4.781 4.120 -0.001 0.000 0.295 34 V C -0.549 175.404 176.094 -0.234 0.000 1.029 34 V CA -0.301 61.810 62.300 -0.315 0.000 0.874 34 V CB 1.770 33.467 31.823 -0.211 0.000 0.985 34 V HN 0.934 nan 8.190 nan 0.000 0.438 35 D N 1.596 121.815 120.400 -0.302 0.000 2.570 35 D HA 0.337 4.976 4.640 -0.001 0.000 0.244 35 D C 0.539 176.716 176.300 -0.205 0.000 1.178 35 D CA -0.334 53.599 54.000 -0.110 0.000 0.881 35 D CB 2.981 43.900 40.800 0.197 0.000 1.453 35 D HN 0.383 nan 8.370 nan 0.000 0.447 36 V N -0.774 118.923 119.914 -0.363 0.000 3.306 36 V HA 0.261 4.381 4.120 -0.001 0.000 0.264 36 V C 0.464 176.519 176.094 -0.065 0.000 1.149 36 V CA 0.973 62.963 62.300 -0.517 0.000 1.143 36 V CB -0.160 30.947 31.823 -1.192 0.000 0.767 36 V HN 0.400 nan 8.190 nan 0.000 0.476 37 Q N -0.504 119.342 119.800 0.077 0.000 2.426 37 Q HA 0.385 4.724 4.340 -0.001 0.000 0.278 37 Q C 0.444 176.510 176.000 0.111 0.000 1.007 37 Q CA 0.360 56.244 55.803 0.134 0.000 0.850 37 Q CB 2.346 31.169 28.738 0.143 0.000 1.427 37 Q HN 0.416 nan 8.270 nan 0.000 0.391 38 T N -2.853 111.727 114.554 0.043 0.000 3.037 38 T HA 0.183 4.532 4.350 -0.001 0.000 0.251 38 T C 0.607 175.262 174.700 -0.075 0.000 1.079 38 T CA 0.664 62.711 62.100 -0.088 0.000 1.067 38 T CB 0.166 68.976 68.868 -0.097 0.000 0.948 38 T HN 0.454 nan 8.240 nan 0.000 0.496 39 S N 0.833 116.510 115.700 -0.038 0.000 2.638 39 S HA 0.522 4.992 4.470 -0.001 0.000 0.274 39 S C -0.650 173.921 174.600 -0.049 0.000 1.157 39 S CA -1.113 57.065 58.200 -0.038 0.000 0.826 39 S CB 0.872 64.027 63.200 -0.075 0.000 1.139 39 S HN 0.702 nan 8.310 nan 0.000 0.474 40 H N -0.277 118.794 119.070 0.002 0.000 2.771 40 H HA 0.714 5.269 4.556 -0.001 0.000 0.364 40 H C 0.772 176.093 175.328 -0.012 0.000 1.133 40 H CA 0.342 56.416 56.048 0.044 0.000 1.423 40 H CB 0.037 29.859 29.762 0.100 0.000 1.425 40 H HN 1.568 nan 8.280 nan 0.000 0.606 41 G N 0.824 109.602 108.800 -0.036 0.000 2.343 41 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.562 41 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.562 41 G C -3.017 171.397 174.900 -0.809 0.000 1.269 41 G CA -0.891 43.909 45.100 -0.500 0.000 1.011 41 G HN 0.736 nan 8.290 nan 0.000 0.498 42 P HA 0.164 nan 4.420 nan 0.000 0.264 42 P C -1.618 175.296 177.300 -0.643 0.000 1.179 42 P CA -0.374 62.099 63.100 -1.044 0.000 0.763 42 P CB 0.443 31.768 31.700 -0.625 0.000 0.806 43 P HA 0.092 nan 4.420 nan 0.000 0.239 43 P C 0.448 177.453 177.300 -0.491 0.000 1.188 43 P CA 1.033 63.715 63.100 -0.696 0.000 0.794 43 P CB 0.178 31.345 31.700 -0.889 0.000 0.937 44 F N -2.975 116.927 119.950 -0.079 0.000 2.720 44 F HA 0.250 4.777 4.527 -0.001 0.000 0.301 44 F C 1.170 177.231 175.800 0.435 0.000 1.103 44 F CA -0.458 57.693 58.000 0.252 0.000 1.291 44 F CB -0.421 38.700 39.000 0.203 0.000 1.086 44 F HN -0.263 nan 8.300 nan 0.000 0.592 45 Y N -1.407 119.095 120.300 0.338 0.000 2.740 45 Y HA -0.343 4.206 4.550 -0.001 0.000 0.477 45 Y C 1.451 177.502 175.900 0.252 0.000 1.206 45 Y CA 0.013 58.268 58.100 0.258 0.000 2.705 45 Y CB -1.882 36.740 38.460 0.270 0.000 1.060 45 Y HN -0.004 nan 8.280 nan 0.000 0.572 46 A N 1.571 124.662 122.820 0.451 0.000 2.332 46 A HA 0.809 5.128 4.320 -0.001 0.000 0.258 46 A C 0.475 178.191 177.584 0.221 0.000 1.087 46 A CA 0.734 52.955 52.037 0.306 0.000 0.802 46 A CB 0.616 19.815 19.000 0.332 0.000 1.042 46 A HN 1.421 nan 8.150 nan 0.000 0.489 47 A N 0.057 122.973 122.820 0.161 0.000 2.483 47 A HA 0.558 4.877 4.320 -0.001 0.000 0.306 47 A C -0.762 176.892 177.584 0.117 0.000 1.137 47 A CA -0.612 51.496 52.037 0.119 0.000 0.626 47 A CB -0.249 18.810 19.000 0.099 0.000 1.352 47 A HN 1.974 nan 8.150 nan 0.000 0.508 48 L N 1.170 122.443 121.223 0.083 0.000 2.776 48 L HA 0.350 4.690 4.340 -0.001 0.000 0.283 48 L C 1.311 178.288 176.870 0.179 0.000 1.194 48 L CA 2.795 57.683 54.840 0.079 0.000 0.947 48 L CB -0.471 41.501 42.059 -0.145 0.000 1.255 48 L HN 2.239 nan 8.230 nan 0.000 0.481 49 G N 1.907 110.872 108.800 0.275 0.000 2.218 49 G HA2 0.149 4.109 3.960 -0.001 0.000 0.216 49 G HA3 0.149 4.109 3.960 -0.001 0.000 0.216 49 G C 1.195 176.224 174.900 0.214 0.000 0.994 49 G CA 0.192 45.501 45.100 0.348 0.000 0.637 49 G HN 2.140 nan 8.290 nan 0.000 0.505 50 G N -1.402 107.500 108.800 0.170 0.000 2.681 50 G HA2 0.100 4.060 3.960 -0.001 0.000 0.220 50 G HA3 0.100 4.060 3.960 -0.001 0.000 0.220 50 G C 0.753 175.736 174.900 0.138 0.000 1.353 50 G CA 0.710 45.900 45.100 0.151 0.000 0.872 50 G HN 1.219 nan 8.290 nan 0.000 0.557 51 T N -0.522 114.119 114.554 0.146 0.000 2.821 51 T HA -0.131 4.219 4.350 -0.001 0.000 0.267 51 T C 2.432 177.186 174.700 0.090 0.000 1.046 51 T CA 2.388 64.572 62.100 0.140 0.000 1.139 51 T CB -0.469 68.503 68.868 0.174 0.000 0.871 51 T HN 0.996 nan 8.240 nan 0.000 0.454 52 c N 1.028 119.684 118.600 0.092 0.000 2.462 52 c HA -0.004 4.565 4.570 -0.001 0.000 0.278 52 c C 2.743 176.836 174.090 0.005 0.000 1.253 52 c CA 0.420 56.788 56.329 0.065 0.000 1.713 52 c CB -1.159 41.399 42.510 0.080 0.000 2.049 52 c HN 0.359 nan 8.230 nan 0.000 0.477 53 V N 2.104 122.028 119.914 0.017 0.000 2.343 53 V HA -0.171 3.948 4.120 -0.001 0.000 0.247 53 V C 2.343 178.373 176.094 -0.107 0.000 1.051 53 V CA 2.373 64.648 62.300 -0.042 0.000 1.036 53 V CB -0.732 31.085 31.823 -0.010 0.000 0.654 53 V HN 0.590 nan 8.190 nan 0.000 0.451 54 N N 0.265 118.931 118.700 -0.057 0.000 2.251 54 N HA -0.016 4.724 4.740 -0.001 0.000 0.181 54 N C 0.927 176.291 175.510 -0.244 0.000 1.019 54 N CA 1.832 54.845 53.050 -0.060 0.000 0.862 54 N CB 0.709 39.255 38.487 0.099 0.000 0.992 54 N HN 0.545 nan 8.380 nan 0.000 0.429 55 V N -3.340 116.397 119.914 -0.294 0.000 3.342 55 V HA 0.689 4.808 4.120 -0.001 0.000 0.494 55 V C 0.139 176.046 176.094 -0.312 0.000 1.598 55 V CA -0.377 61.528 62.300 -0.658 0.000 1.948 55 V CB 0.591 32.366 31.823 -0.080 0.000 1.274 55 V HN 0.177 nan 8.190 nan 0.000 0.650 56 G N -0.201 108.476 108.800 -0.205 0.000 3.000 56 G HA2 0.312 4.271 3.960 -0.001 0.000 0.170 56 G HA3 0.312 4.271 3.960 -0.001 0.000 0.170 56 G C 0.838 175.793 174.900 0.091 0.000 1.160 56 G CA 0.586 45.744 45.100 0.096 0.000 0.945 56 G HN 0.362 nan 8.290 nan 0.000 0.593 57 c N 0.013 118.672 118.600 0.099 0.000 2.363 57 c HA -0.079 4.491 4.570 -0.001 0.000 0.274 57 c C 2.827 176.885 174.090 -0.054 0.000 1.183 57 c CA 1.129 57.489 56.329 0.052 0.000 1.771 57 c CB -1.600 40.942 42.510 0.054 0.000 2.059 57 c HN 0.292 nan 8.230 nan 0.000 0.455 58 V N 2.916 122.783 119.914 -0.079 0.000 2.237 58 V HA -0.135 3.984 4.120 -0.001 0.000 0.245 58 V C 0.389 176.386 176.094 -0.161 0.000 1.046 58 V CA 2.707 64.930 62.300 -0.128 0.000 1.007 58 V CB -1.960 29.786 31.823 -0.128 0.000 0.638 58 V HN 0.429 nan 8.190 nan 0.000 0.445 59 P HA -0.153 nan 4.420 nan 0.000 0.222 59 P C 1.342 178.622 177.300 -0.032 0.000 1.153 59 P CA 1.495 64.481 63.100 -0.189 0.000 0.798 59 P CB -0.014 31.444 31.700 -0.403 0.000 0.796 60 K N 0.889 121.325 120.400 0.060 0.000 2.148 60 K HA -0.131 4.189 4.320 -0.001 0.000 0.204 60 K C 2.181 178.665 176.600 -0.193 0.000 1.050 60 K CA 1.432 57.708 56.287 -0.017 0.000 0.942 60 K CB -0.689 31.828 32.500 0.029 0.000 0.724 60 K HN -0.120 nan 8.250 nan 0.000 0.446 61 K N 1.390 121.652 120.400 -0.231 0.000 2.025 61 K HA 0.037 4.357 4.320 -0.001 0.000 0.207 61 K C 1.883 178.329 176.600 -0.256 0.000 1.049 61 K CA 1.381 57.444 56.287 -0.374 0.000 0.933 61 K CB -0.462 31.755 32.500 -0.471 0.000 0.714 61 K HN 0.268 nan 8.250 nan 0.000 0.438 62 L N 0.011 121.117 121.223 -0.194 0.000 2.013 62 L HA -0.252 4.087 4.340 -0.001 0.000 0.212 62 L C 2.620 179.409 176.870 -0.136 0.000 1.073 62 L CA 1.984 56.736 54.840 -0.147 0.000 0.753 62 L CB -0.444 41.525 42.059 -0.149 0.000 0.890 62 L HN 0.276 nan 8.230 nan 0.000 0.432 63 M N -1.324 118.166 119.600 -0.183 0.000 2.200 63 M HA -0.143 4.337 4.480 -0.001 0.000 0.265 63 M C 2.222 178.442 176.300 -0.132 0.000 1.066 63 M CA 1.043 56.215 55.300 -0.213 0.000 1.127 63 M CB -0.215 32.187 32.600 -0.330 0.000 1.379 63 M HN 0.038 nan 8.290 nan 0.000 0.420 64 V N -0.051 119.764 119.914 -0.164 0.000 2.407 64 V HA -0.255 3.865 4.120 -0.001 0.000 0.248 64 V C 2.273 178.334 176.094 -0.054 0.000 1.055 64 V CA 2.179 64.417 62.300 -0.103 0.000 1.049 64 V CB -1.044 30.719 31.823 -0.101 0.000 0.662 64 V HN 0.498 nan 8.190 nan 0.000 0.455 65 T N 0.295 114.806 114.554 -0.071 0.000 2.708 65 T HA -0.105 4.244 4.350 -0.001 0.000 0.266 65 T C 1.952 176.657 174.700 0.009 0.000 1.037 65 T CA 1.544 63.603 62.100 -0.069 0.000 1.146 65 T CB -0.675 68.166 68.868 -0.045 0.000 0.865 65 T HN 0.619 nan 8.240 nan 0.000 0.435 66 G N 1.276 110.177 108.800 0.168 0.000 2.476 66 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.218 66 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.218 66 G C 1.832 176.985 174.900 0.422 0.000 1.164 66 G CA 1.002 46.361 45.100 0.431 0.000 0.768 66 G HN 0.587 nan 8.290 nan 0.000 0.560 67 A N 0.150 123.159 122.820 0.316 0.000 1.972 67 A HA -0.079 4.240 4.320 -0.001 0.000 0.219 67 A C 2.298 179.885 177.584 0.005 0.000 1.169 67 A CA 1.871 54.019 52.037 0.185 0.000 0.635 67 A CB -0.381 18.711 19.000 0.153 0.000 0.810 67 A HN 0.484 nan 8.150 nan 0.000 0.446 68 Q N -1.771 117.971 119.800 -0.096 0.000 2.291 68 Q HA -0.177 4.163 4.340 -0.001 0.000 0.206 68 Q C 1.472 177.258 176.000 -0.357 0.000 0.976 68 Q CA 1.303 56.932 55.803 -0.289 0.000 0.875 68 Q CB -0.271 28.235 28.738 -0.386 0.000 0.927 68 Q HN 0.854 nan 8.270 nan 0.000 0.450 69 Y N -0.008 120.279 120.300 -0.021 0.000 2.403 69 Y HA -0.201 4.348 4.550 -0.001 0.000 0.291 69 Y C 2.131 178.034 175.900 0.005 0.000 1.143 69 Y CA 1.008 59.139 58.100 0.051 0.000 1.257 69 Y CB -0.239 38.242 38.460 0.035 0.000 0.984 69 Y HN 0.183 nan 8.280 nan 0.000 0.550 70 M N -0.122 119.521 119.600 0.072 0.000 2.099 70 M HA -0.226 4.254 4.480 -0.001 0.000 0.262 70 M C 1.242 177.578 176.300 0.059 0.000 1.067 70 M CA 2.051 57.378 55.300 0.045 0.000 1.124 70 M CB -0.056 32.539 32.600 -0.009 0.000 1.353 70 M HN 0.082 nan 8.290 nan 0.000 0.410 71 D N -0.565 119.827 120.400 -0.014 0.000 2.097 71 D HA -0.158 4.482 4.640 -0.001 0.000 0.195 71 D C 1.692 178.028 176.300 0.060 0.000 0.989 71 D CA 1.577 55.571 54.000 -0.010 0.000 0.827 71 D CB -0.539 40.196 40.800 -0.110 0.000 0.966 71 D HN 0.570 nan 8.370 nan 0.000 0.456 72 H N -0.124 118.985 119.070 0.066 0.000 2.290 72 H HA -0.022 4.533 4.556 -0.001 0.000 0.298 72 H C 2.169 177.572 175.328 0.126 0.000 1.087 72 H CA 0.739 56.828 56.048 0.067 0.000 1.291 72 H CB -0.034 29.743 29.762 0.025 0.000 1.369 72 H HN 0.057 nan 8.280 nan 0.000 0.492 73 L N 0.174 121.576 121.223 0.299 0.000 2.042 73 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 73 L C 2.678 179.783 176.870 0.392 0.000 1.076 73 L CA 1.381 56.419 54.840 0.329 0.000 0.749 73 L CB -0.405 41.840 42.059 0.311 0.000 0.893 73 L HN 0.248 nan 8.230 nan 0.000 0.432 74 R N 0.803 121.464 120.500 0.268 0.000 2.075 74 R HA -0.164 4.176 4.340 -0.001 0.000 0.232 74 R C 2.052 178.485 176.300 0.221 0.000 1.126 74 R CA 1.527 57.750 56.100 0.205 0.000 0.963 74 R CB -0.086 30.303 30.300 0.148 0.000 0.858 74 R HN 0.377 nan 8.270 nan 0.000 0.435 75 E N 0.295 120.642 120.200 0.245 0.000 2.338 75 E HA -0.134 4.216 4.350 -0.001 0.000 0.197 75 E C 1.865 178.702 176.600 0.394 0.000 1.007 75 E CA 1.198 57.775 56.400 0.295 0.000 0.849 75 E CB 0.088 29.973 29.700 0.309 0.000 0.774 75 E HN 0.483 nan 8.360 nan 0.000 0.506 76 S N 0.803 116.723 115.700 0.367 0.000 2.399 76 S HA -0.151 4.318 4.470 -0.001 0.000 0.231 76 S C 2.188 177.121 174.600 0.556 0.000 1.022 76 S CA 0.876 59.340 58.200 0.440 0.000 0.983 76 S CB -0.134 63.249 63.200 0.305 0.000 0.803 76 S HN 0.282 nan 8.310 nan 0.000 0.480 77 A N 1.797 124.838 122.820 0.368 0.000 1.933 77 A HA 0.236 4.555 4.320 -0.001 0.000 0.218 77 A C 2.393 180.077 177.584 0.168 0.000 1.175 77 A CA 1.383 53.559 52.037 0.232 0.000 0.628 77 A CB -1.712 17.343 19.000 0.092 0.000 0.814 77 A HN 0.690 nan 8.150 nan 0.000 0.444 78 G N -1.797 107.089 108.800 0.145 0.000 2.470 78 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.220 78 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.220 78 G C 0.955 175.690 174.900 -0.276 0.000 1.121 78 G CA 0.874 45.928 45.100 -0.077 0.000 0.766 78 G HN 0.494 nan 8.290 nan 0.000 0.553 79 F N -0.300 119.749 119.950 0.166 0.000 2.653 79 F HA 0.398 4.925 4.527 -0.001 0.000 0.304 79 F C 1.788 177.651 175.800 0.104 0.000 1.092 79 F CA 0.310 58.414 58.000 0.173 0.000 1.279 79 F CB 1.006 40.172 39.000 0.276 0.000 1.044 79 F HN 0.202 nan 8.300 nan 0.000 0.564 80 G N -1.078 107.822 108.800 0.167 0.000 2.184 80 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.206 80 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.206 80 G C -0.261 174.570 174.900 -0.114 0.000 0.995 80 G CA -0.848 44.227 45.100 -0.040 0.000 0.651 80 G HN 0.188 nan 8.290 nan 0.000 0.511 81 W N 1.394 122.792 121.300 0.164 0.000 2.272 81 W HA 0.667 5.326 4.660 -0.001 0.000 0.318 81 W C 0.575 177.199 176.519 0.176 0.000 1.255 81 W CA -0.204 57.262 57.345 0.202 0.000 1.200 81 W CB 0.733 30.353 29.460 0.267 0.000 1.170 81 W HN 0.128 nan 8.180 nan 0.000 0.549 82 E N 3.205 123.610 120.200 0.343 0.000 2.272 82 E HA 0.610 4.959 4.350 -0.001 0.000 0.269 82 E C -1.053 175.742 176.600 0.326 0.000 0.877 82 E CA -0.922 55.577 56.400 0.164 0.000 0.755 82 E CB 2.020 31.756 29.700 0.059 0.000 1.192 82 E HN 0.307 nan 8.360 nan 0.000 0.422 83 F N -1.058 118.961 119.950 0.115 0.000 2.807 83 F HA 0.337 4.863 4.527 -0.001 0.000 0.316 83 F C -1.327 174.516 175.800 0.071 0.000 1.162 83 F CA -1.405 56.653 58.000 0.097 0.000 0.910 83 F CB 0.748 39.819 39.000 0.117 0.000 1.314 83 F HN 0.180 nan 8.300 nan 0.000 0.454 84 D N 1.311 121.887 120.400 0.292 0.000 2.383 84 D HA 0.276 4.915 4.640 -0.001 0.000 0.245 84 D C 1.331 177.729 176.300 0.163 0.000 1.263 84 D CA 0.626 54.711 54.000 0.142 0.000 0.936 84 D CB 1.068 41.947 40.800 0.131 0.000 1.053 84 D HN 0.873 nan 8.370 nan 0.000 0.507 85 G N 2.452 111.223 108.800 -0.049 0.000 2.450 85 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.220 85 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.220 85 G C 1.476 176.415 174.900 0.065 0.000 1.130 85 G CA 1.041 46.125 45.100 -0.026 0.000 0.760 85 G HN 0.563 nan 8.290 nan 0.000 0.557 86 S N 1.013 116.740 115.700 0.045 0.000 2.507 86 S HA -0.081 4.389 4.470 -0.001 0.000 0.235 86 S C 2.262 176.903 174.600 0.069 0.000 0.988 86 S CA 1.591 59.820 58.200 0.048 0.000 0.944 86 S CB -0.385 62.834 63.200 0.032 0.000 0.762 86 S HN 0.541 nan 8.310 nan 0.000 0.526 87 S N 0.243 116.003 115.700 0.100 0.000 2.558 87 S HA 0.246 4.715 4.470 -0.001 0.000 0.217 87 S C 0.429 175.085 174.600 0.095 0.000 0.975 87 S CA -0.262 57.995 58.200 0.095 0.000 0.912 87 S CB -0.422 62.842 63.200 0.107 0.000 0.776 87 S HN 0.286 nan 8.310 nan 0.000 0.526 88 V N 3.020 123.005 119.914 0.118 0.000 2.470 88 V HA 0.373 4.492 4.120 -0.001 0.000 0.276 88 V C 0.066 176.198 176.094 0.065 0.000 1.040 88 V CA -0.132 62.231 62.300 0.106 0.000 1.008 88 V CB 0.411 32.329 31.823 0.158 0.000 0.990 88 V HN 0.572 nan 8.190 nan 0.000 0.477 89 K N 4.795 125.223 120.400 0.046 0.000 2.375 89 K HA 0.814 5.134 4.320 -0.001 0.000 0.249 89 K C -0.694 175.924 176.600 0.031 0.000 0.942 89 K CA -0.569 55.744 56.287 0.044 0.000 0.806 89 K CB 2.063 34.596 32.500 0.055 0.000 1.227 89 K HN 0.634 nan 8.250 nan 0.000 0.430 90 A N 3.482 126.321 122.820 0.031 0.000 2.294 90 A HA 0.254 4.573 4.320 -0.001 0.000 0.316 90 A C -0.712 177.020 177.584 0.247 0.000 1.359 90 A CA -0.686 51.363 52.037 0.020 0.000 0.956 90 A CB -0.122 18.742 19.000 -0.228 0.000 1.155 90 A HN 0.735 nan 8.150 nan 0.000 0.544 91 N N 3.428 122.287 118.700 0.265 0.000 2.555 91 N HA -0.043 4.697 4.740 -0.001 0.000 0.244 91 N C 0.963 176.706 175.510 0.389 0.000 1.114 91 N CA -0.588 52.630 53.050 0.280 0.000 0.963 91 N CB -0.002 38.577 38.487 0.153 0.000 1.276 91 N HN 0.874 nan 8.380 nan 0.000 0.510 92 W N 4.430 125.883 121.300 0.256 0.000 2.305 92 W HA -0.249 4.410 4.660 -0.001 0.000 0.308 92 W C 0.704 177.221 176.519 -0.005 0.000 1.226 92 W CA 1.318 58.702 57.345 0.065 0.000 1.253 92 W CB 0.247 29.761 29.460 0.090 0.000 1.146 92 W HN 0.494 nan 8.180 nan 0.000 0.507 93 K N 0.121 120.630 120.400 0.182 0.000 2.097 93 K HA -0.151 4.169 4.320 -0.001 0.000 0.205 93 K C 2.137 178.704 176.600 -0.055 0.000 1.050 93 K CA 1.387 57.703 56.287 0.048 0.000 0.938 93 K CB -0.254 32.327 32.500 0.136 0.000 0.718 93 K HN 0.059 nan 8.250 nan 0.000 0.442 94 K N 0.717 121.108 120.400 -0.016 0.000 2.057 94 K HA -0.134 4.186 4.320 -0.001 0.000 0.206 94 K C 2.130 178.657 176.600 -0.122 0.000 1.050 94 K CA 0.895 57.157 56.287 -0.042 0.000 0.935 94 K CB -0.224 32.278 32.500 0.003 0.000 0.715 94 K HN 0.030 nan 8.250 nan 0.000 0.439 95 L N 1.654 122.766 121.223 -0.185 0.000 2.013 95 L HA -0.217 4.122 4.340 -0.001 0.000 0.212 95 L C 2.001 178.626 176.870 -0.409 0.000 1.073 95 L CA 1.649 56.295 54.840 -0.323 0.000 0.753 95 L CB -0.348 41.361 42.059 -0.583 0.000 0.890 95 L HN 0.093 nan 8.230 nan 0.000 0.432 96 I N -0.029 120.220 120.570 -0.535 0.000 2.202 96 I HA -0.196 3.973 4.170 -0.001 0.000 0.242 96 I C 2.715 178.677 176.117 -0.257 0.000 1.091 96 I CA 1.438 62.444 61.300 -0.491 0.000 1.368 96 I CB -1.969 35.701 38.000 -0.551 0.000 1.058 96 I HN 0.375 nan 8.210 nan 0.000 0.410 97 A N 0.955 123.675 122.820 -0.167 0.000 1.908 97 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 97 A C 2.566 180.092 177.584 -0.097 0.000 1.181 97 A CA 2.135 54.121 52.037 -0.085 0.000 0.627 97 A CB -0.810 18.162 19.000 -0.046 0.000 0.818 97 A HN 0.419 nan 8.150 nan 0.000 0.445 98 A N -0.145 122.601 122.820 -0.123 0.000 1.902 98 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 98 A C 2.176 179.675 177.584 -0.143 0.000 1.181 98 A CA 2.029 53.997 52.037 -0.115 0.000 0.623 98 A CB -0.419 18.517 19.000 -0.105 0.000 0.818 98 A HN 0.439 nan 8.150 nan 0.000 0.443 99 K N 0.175 120.459 120.400 -0.194 0.000 2.026 99 K HA -0.181 4.138 4.320 -0.001 0.000 0.208 99 K C 1.479 177.928 176.600 -0.251 0.000 1.048 99 K CA 1.830 57.978 56.287 -0.230 0.000 0.929 99 K CB -0.527 31.806 32.500 -0.278 0.000 0.713 99 K HN 0.395 nan 8.250 nan 0.000 0.439 100 N N 1.515 120.089 118.700 -0.210 0.000 2.166 100 N HA -0.182 4.558 4.740 -0.001 0.000 0.186 100 N C 1.759 177.219 175.510 -0.084 0.000 1.019 100 N CA 1.528 54.474 53.050 -0.174 0.000 0.856 100 N CB -0.151 38.381 38.487 0.075 0.000 0.993 100 N HN 0.500 nan 8.380 nan 0.000 0.426 101 E N 0.674 120.838 120.200 -0.060 0.000 2.107 101 E HA 0.022 4.372 4.350 -0.001 0.000 0.191 101 E C 1.832 178.385 176.600 -0.078 0.000 0.982 101 E CA 1.064 57.444 56.400 -0.035 0.000 0.809 101 E CB -0.152 29.525 29.700 -0.038 0.000 0.756 101 E HN 0.242 nan 8.360 nan 0.000 0.459 102 A N 0.677 123.425 122.820 -0.120 0.000 1.865 102 A HA -0.172 4.148 4.320 -0.001 0.000 0.217 102 A C 2.491 179.973 177.584 -0.169 0.000 1.191 102 A CA 1.833 53.787 52.037 -0.138 0.000 0.623 102 A CB -0.988 17.923 19.000 -0.148 0.000 0.826 102 A HN 0.227 nan 8.150 nan 0.000 0.444 103 V N -0.355 119.418 119.914 -0.234 0.000 2.295 103 V HA -0.234 3.885 4.120 -0.001 0.000 0.246 103 V C 2.519 178.527 176.094 -0.143 0.000 1.049 103 V CA 2.004 64.138 62.300 -0.277 0.000 1.024 103 V CB -0.824 30.692 31.823 -0.512 0.000 0.648 103 V HN 0.604 nan 8.190 nan 0.000 0.447 104 L N 0.336 121.544 121.223 -0.025 0.000 2.083 104 L HA -0.179 4.160 4.340 -0.001 0.000 0.209 104 L C 2.092 178.944 176.870 -0.030 0.000 1.083 104 L CA 2.044 56.940 54.840 0.093 0.000 0.752 104 L CB -0.896 41.256 42.059 0.155 0.000 0.899 104 L HN 0.303 nan 8.230 nan 0.000 0.433 105 D N -0.138 120.220 120.400 -0.069 0.000 2.123 105 D HA -0.214 4.425 4.640 -0.001 0.000 0.196 105 D C 2.273 178.474 176.300 -0.165 0.000 0.992 105 D CA 2.015 55.957 54.000 -0.097 0.000 0.833 105 D CB -0.156 40.589 40.800 -0.092 0.000 0.954 105 D HN 0.475 nan 8.370 nan 0.000 0.455 106 I N 0.941 121.367 120.570 -0.241 0.000 2.179 106 I HA -0.283 3.886 4.170 -0.001 0.000 0.242 106 I C 1.947 177.745 176.117 -0.533 0.000 1.088 106 I CA 1.010 62.032 61.300 -0.462 0.000 1.357 106 I CB -0.458 37.229 38.000 -0.522 0.000 1.051 106 I HN -0.004 nan 8.210 nan 0.000 0.409 107 N N 1.009 119.534 118.700 -0.292 0.000 2.037 107 N HA -0.249 4.491 4.740 -0.001 0.000 0.196 107 N C 1.816 177.261 175.510 -0.108 0.000 1.034 107 N CA 1.584 54.541 53.050 -0.155 0.000 0.861 107 N CB -0.144 38.315 38.487 -0.047 0.000 1.039 107 N HN 0.346 nan 8.380 nan 0.000 0.427 108 K N 0.324 120.669 120.400 -0.091 0.000 2.057 108 K HA -0.056 4.263 4.320 -0.001 0.000 0.206 108 K C 2.317 178.902 176.600 -0.025 0.000 1.050 108 K CA 0.934 57.191 56.287 -0.050 0.000 0.935 108 K CB -0.220 32.254 32.500 -0.043 0.000 0.715 108 K HN 0.040 nan 8.250 nan 0.000 0.439 109 S N 0.053 115.718 115.700 -0.059 0.000 2.359 109 S HA -0.184 4.285 4.470 -0.001 0.000 0.224 109 S C 1.869 176.560 174.600 0.152 0.000 1.035 109 S CA 1.222 59.422 58.200 0.001 0.000 1.018 109 S CB -0.230 62.931 63.200 -0.065 0.000 0.876 109 S HN 0.257 nan 8.310 nan 0.000 0.448 110 Y N 1.551 121.826 120.300 -0.042 0.000 2.220 110 Y HA 0.099 4.648 4.550 -0.001 0.000 0.291 110 Y C 2.554 178.494 175.900 0.067 0.000 1.129 110 Y CA 0.879 58.969 58.100 -0.017 0.000 1.161 110 Y CB -1.338 37.124 38.460 0.005 0.000 0.997 110 Y HN 0.493 nan 8.280 nan 0.000 0.522 111 E N -0.251 120.055 120.200 0.177 0.000 2.070 111 E HA -0.195 4.154 4.350 -0.001 0.000 0.197 111 E C 2.542 179.220 176.600 0.130 0.000 1.004 111 E CA 1.493 57.940 56.400 0.079 0.000 0.805 111 E CB -0.519 29.154 29.700 -0.045 0.000 0.744 111 E HN 0.444 nan 8.360 nan 0.000 0.451 112 G N 0.605 109.460 108.800 0.090 0.000 2.440 112 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.218 112 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.218 112 G C 1.547 176.497 174.900 0.084 0.000 1.154 112 G CA 1.199 46.343 45.100 0.073 0.000 0.767 112 G HN 0.227 nan 8.290 nan 0.000 0.552 113 M N -0.555 119.091 119.600 0.075 0.000 2.149 113 M HA 0.048 4.528 4.480 -0.001 0.000 0.261 113 M C 2.266 178.573 176.300 0.011 0.000 1.064 113 M CA 1.162 56.479 55.300 0.028 0.000 1.102 113 M CB -0.325 32.232 32.600 -0.073 0.000 1.369 113 M HN 0.228 nan 8.290 nan 0.000 0.408 114 F N 0.802 120.796 119.950 0.073 0.000 2.084 114 F HA -0.186 4.341 4.527 -0.001 0.000 0.296 114 F C 2.269 178.098 175.800 0.048 0.000 1.111 114 F CA 1.316 59.359 58.000 0.071 0.000 1.224 114 F CB -0.817 38.221 39.000 0.064 0.000 0.991 114 F HN 0.182 nan 8.300 nan 0.000 0.471 115 N N 0.231 119.067 118.700 0.227 0.000 2.137 115 N HA -0.190 4.550 4.740 -0.001 0.000 0.190 115 N C 1.278 176.843 175.510 0.092 0.000 1.017 115 N CA 1.757 54.881 53.050 0.125 0.000 0.859 115 N CB -0.541 37.996 38.487 0.083 0.000 1.002 115 N HN 0.286 nan 8.380 nan 0.000 0.428 116 D N -0.587 119.863 120.400 0.083 0.000 2.301 116 D HA 0.049 4.688 4.640 -0.001 0.000 0.206 116 D C 0.014 176.338 176.300 0.040 0.000 0.979 116 D CA 0.601 54.635 54.000 0.056 0.000 0.874 116 D CB 0.032 40.865 40.800 0.054 0.000 0.968 116 D HN 0.082 nan 8.370 nan 0.000 0.510 117 T N 1.402 115.978 114.554 0.037 0.000 2.771 117 T HA 0.238 4.587 4.350 -0.001 0.000 0.291 117 T C 0.134 174.820 174.700 -0.023 0.000 0.954 117 T CA -0.494 61.594 62.100 -0.021 0.000 1.045 117 T CB 1.882 70.710 68.868 -0.067 0.000 0.917 117 T HN -0.192 nan 8.240 nan 0.000 0.484 118 E N 1.589 121.760 120.200 -0.047 0.000 2.384 118 E HA 0.415 4.764 4.350 -0.001 0.000 0.266 118 E C 1.332 177.914 176.600 -0.031 0.000 1.012 118 E CA 1.145 57.530 56.400 -0.025 0.000 0.901 118 E CB 0.142 29.820 29.700 -0.036 0.000 0.967 118 E HN 0.861 nan 8.360 nan 0.000 0.435 119 G N 3.041 111.858 108.800 0.027 0.000 2.168 119 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.263 119 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.263 119 G C -0.213 174.744 174.900 0.094 0.000 0.977 119 G CA 0.473 45.606 45.100 0.054 0.000 0.659 119 G HN 0.482 nan 8.290 nan 0.000 0.533 120 L N 1.082 122.367 121.223 0.104 0.000 2.427 120 L HA 0.747 5.086 4.340 -0.001 0.000 0.264 120 L C -1.475 175.616 176.870 0.367 0.000 0.989 120 L CA -1.046 53.894 54.840 0.166 0.000 0.865 120 L CB 1.591 43.648 42.059 -0.003 0.000 1.209 120 L HN 0.002 nan 8.230 nan 0.000 0.430 121 D N 3.715 124.332 120.400 0.363 0.000 2.362 121 D HA 0.363 5.003 4.640 -0.001 0.000 0.247 121 D C -1.232 175.042 176.300 -0.044 0.000 1.050 121 D CA 0.204 54.317 54.000 0.188 0.000 0.839 121 D CB 1.863 42.748 40.800 0.142 0.000 1.283 121 D HN 0.298 nan 8.370 nan 0.000 0.477 122 F N 2.528 122.153 119.950 -0.542 0.000 2.420 122 F HA 0.544 5.071 4.527 -0.001 0.000 0.342 122 F C -1.264 174.049 175.800 -0.812 0.000 1.113 122 F CA -0.757 56.734 58.000 -0.848 0.000 1.059 122 F CB 0.452 38.784 39.000 -1.113 0.000 1.128 122 F HN 0.127 nan 8.300 nan 0.000 0.475 123 F N 6.994 126.284 119.950 -1.100 0.000 2.493 123 F HA 0.419 4.945 4.527 -0.001 0.000 0.329 123 F C -0.731 174.376 175.800 -1.154 0.000 1.126 123 F CA -1.063 56.448 58.000 -0.815 0.000 0.937 123 F CB 1.538 40.273 39.000 -0.442 0.000 1.146 123 F HN 0.284 nan 8.300 nan 0.000 0.442 124 L N 3.733 124.641 121.223 -0.524 0.000 2.319 124 L HA 0.799 5.139 4.340 -0.001 0.000 0.280 124 L C 0.186 176.977 176.870 -0.132 0.000 1.099 124 L CA 0.681 55.358 54.840 -0.271 0.000 0.828 124 L CB 0.030 42.119 42.059 0.051 0.000 1.150 124 L HN 0.791 nan 8.230 nan 0.000 0.442 125 G N 3.109 111.804 108.800 -0.174 0.000 2.350 125 G HA2 0.019 3.978 3.960 -0.001 0.000 0.276 125 G HA3 0.019 3.978 3.960 -0.001 0.000 0.276 125 G C -2.165 172.590 174.900 -0.241 0.000 1.313 125 G CA -0.810 44.245 45.100 -0.075 0.000 0.903 125 G HN 0.464 nan 8.290 nan 0.000 0.490 126 W N 0.974 122.201 121.300 -0.122 0.000 2.376 126 W HA 0.611 5.271 4.660 -0.000 0.000 0.312 126 W C 0.616 177.066 176.519 -0.114 0.000 1.060 126 W CA 0.251 57.510 57.345 -0.142 0.000 1.221 126 W CB 1.956 31.315 29.460 -0.169 0.000 1.281 126 W HN 0.855 nan 8.180 nan 0.000 0.456 127 G N 2.025 110.850 108.800 0.042 0.000 2.348 127 G HA2 0.599 4.559 3.960 -0.001 0.000 0.312 127 G HA3 0.599 4.559 3.960 -0.001 0.000 0.312 127 G C -0.571 174.352 174.900 0.038 0.000 1.126 127 G CA -0.459 44.643 45.100 0.004 0.000 0.865 127 G HN 0.428 nan 8.290 nan 0.000 0.474 128 S N 0.547 116.258 115.700 0.018 0.000 2.651 128 S HA 0.655 5.125 4.470 -0.001 0.000 0.279 128 S C -1.284 173.314 174.600 -0.003 0.000 1.148 128 S CA -0.918 57.291 58.200 0.015 0.000 0.837 128 S CB 1.579 64.789 63.200 0.017 0.000 1.138 128 S HN 0.345 nan 8.310 nan 0.000 0.478 129 L N 1.883 123.104 121.223 -0.003 0.000 2.260 129 L HA 0.519 4.859 4.340 -0.001 0.000 0.289 129 L C 1.360 178.222 176.870 -0.013 0.000 1.057 129 L CA 0.244 55.078 54.840 -0.010 0.000 0.811 129 L CB 0.686 42.739 42.059 -0.010 0.000 1.184 129 L HN 1.069 nan 8.230 nan 0.000 0.429 130 E N 1.682 121.873 120.200 -0.015 0.000 2.127 130 E HA 0.066 4.415 4.350 -0.001 0.000 0.191 130 E C 0.230 176.820 176.600 -0.016 0.000 0.964 130 E CA 0.611 57.002 56.400 -0.016 0.000 0.832 130 E CB 0.583 30.273 29.700 -0.016 0.000 0.790 130 E HN 0.679 nan 8.360 nan 0.000 0.465 131 S N -1.278 114.412 115.700 -0.018 0.000 2.656 131 S HA 0.178 4.647 4.470 -0.001 0.000 0.273 131 S C 0.324 174.909 174.600 -0.024 0.000 1.168 131 S CA -0.436 57.752 58.200 -0.020 0.000 0.817 131 S CB 1.131 64.319 63.200 -0.019 0.000 1.146 131 S HN 0.209 nan 8.310 nan 0.000 0.475 132 K N 0.270 120.652 120.400 -0.030 0.000 2.362 132 K HA 0.049 4.369 4.320 -0.001 0.000 0.200 132 K C 0.403 176.979 176.600 -0.040 0.000 1.046 132 K CA 1.698 57.960 56.287 -0.042 0.000 0.952 132 K CB -0.642 31.827 32.500 -0.052 0.000 0.753 132 K HN 0.566 nan 8.250 nan 0.000 0.466 133 N N 0.151 118.835 118.700 -0.028 0.000 2.200 133 N HA 0.136 4.876 4.740 -0.001 0.000 0.224 133 N C -1.666 173.843 175.510 -0.002 0.000 1.179 133 N CA -0.331 52.710 53.050 -0.016 0.000 0.877 133 N CB 1.784 40.259 38.487 -0.020 0.000 1.072 133 N HN -0.107 nan 8.380 nan 0.000 0.519 134 V N 1.151 121.061 119.914 -0.007 0.000 2.569 134 V HA 0.365 4.485 4.120 -0.001 0.000 0.301 134 V C -0.457 175.629 176.094 -0.014 0.000 1.044 134 V CA -0.883 61.414 62.300 -0.006 0.000 0.874 134 V CB 2.128 33.943 31.823 -0.012 0.000 1.002 134 V HN -0.235 nan 8.190 nan 0.000 0.424 135 V N 5.487 125.389 119.914 -0.019 0.000 2.481 135 V HA 0.520 4.639 4.120 -0.001 0.000 0.286 135 V C -0.040 176.021 176.094 -0.054 0.000 1.042 135 V CA -0.479 61.800 62.300 -0.035 0.000 0.928 135 V CB 1.963 33.757 31.823 -0.048 0.000 0.986 135 V HN 0.625 nan 8.190 nan 0.000 0.462 136 V N 5.234 125.122 119.914 -0.043 0.000 2.483 136 V HA 0.488 4.608 4.120 -0.001 0.000 0.295 136 V C -0.220 175.850 176.094 -0.040 0.000 1.035 136 V CA -0.614 61.661 62.300 -0.042 0.000 0.896 136 V CB 1.971 33.781 31.823 -0.022 0.000 0.986 136 V HN 0.580 nan 8.190 nan 0.000 0.447 137 V N 5.744 125.628 119.914 -0.050 0.000 2.350 137 V HA 0.515 4.634 4.120 -0.001 0.000 0.285 137 V C 0.153 176.256 176.094 0.015 0.000 1.014 137 V CA -0.625 61.656 62.300 -0.031 0.000 0.831 137 V CB 1.261 33.031 31.823 -0.089 0.000 1.000 137 V HN 0.826 nan 8.190 nan 0.000 0.433 138 R N 2.517 123.056 120.500 0.065 0.000 2.758 138 R HA 0.480 4.820 4.340 -0.001 0.000 0.265 138 R C 0.681 177.061 176.300 0.134 0.000 1.016 138 R CA -0.757 55.386 56.100 0.071 0.000 1.040 138 R CB 1.915 32.236 30.300 0.034 0.000 1.152 138 R HN 0.658 nan 8.270 nan 0.000 0.503 139 E N 0.205 120.460 120.200 0.091 0.000 2.152 139 E HA -0.090 4.260 4.350 -0.001 0.000 0.192 139 E C 0.555 177.242 176.600 0.145 0.000 0.983 139 E CA 1.344 57.821 56.400 0.128 0.000 0.818 139 E CB 0.336 30.082 29.700 0.078 0.000 0.758 139 E HN 0.627 nan 8.360 nan 0.000 0.467 140 T N -4.487 110.026 114.554 -0.068 0.000 2.804 140 T HA 0.559 4.908 4.350 -0.001 0.000 0.290 140 T C 0.769 174.905 174.700 -0.940 0.000 1.099 140 T CA -0.313 61.477 62.100 -0.517 0.000 1.011 140 T CB 1.480 70.146 68.868 -0.337 0.000 1.291 140 T HN -0.119 nan 8.240 nan 0.000 0.523 141 A N -0.120 121.727 122.820 -1.622 0.000 2.172 141 A HA 0.129 4.449 4.320 -0.001 0.000 0.216 141 A C 0.994 178.268 177.584 -0.517 0.000 1.154 141 A CA 0.758 52.068 52.037 -1.211 0.000 0.701 141 A CB -0.932 17.143 19.000 -1.540 0.000 0.789 141 A HN 0.828 nan 8.150 nan 0.000 0.465 142 D N 0.308 120.468 120.400 -0.402 0.000 2.371 142 D HA 0.124 4.763 4.640 -0.001 0.000 0.256 142 D C -1.704 174.502 176.300 -0.156 0.000 1.193 142 D CA -1.856 52.011 54.000 -0.221 0.000 0.881 142 D CB 1.182 41.879 40.800 -0.172 0.000 1.143 142 D HN 0.106 nan 8.370 nan 0.000 0.473 143 P HA -0.030 nan 4.420 nan 0.000 0.239 143 P C 0.511 177.777 177.300 -0.057 0.000 1.184 143 P CA 0.632 63.689 63.100 -0.073 0.000 0.760 143 P CB 0.270 31.936 31.700 -0.056 0.000 0.884 144 K N -0.158 120.204 120.400 -0.063 0.000 2.374 144 K HA 0.100 4.419 4.320 -0.001 0.000 0.196 144 K C 0.956 177.529 176.600 -0.044 0.000 1.023 144 K CA -0.028 56.230 56.287 -0.047 0.000 1.103 144 K CB 0.250 32.724 32.500 -0.044 0.000 0.848 144 K HN 0.204 nan 8.250 nan 0.000 0.528 145 S N 0.502 116.167 115.700 -0.058 0.000 2.608 145 S HA 0.406 4.875 4.470 -0.001 0.000 0.261 145 S C 0.395 174.983 174.600 -0.020 0.000 1.314 145 S CA -0.975 57.199 58.200 -0.044 0.000 0.992 145 S CB 1.223 64.382 63.200 -0.068 0.000 0.935 145 S HN 0.164 nan 8.310 nan 0.000 0.564 146 A N 0.831 123.649 122.820 -0.003 0.000 2.425 146 A HA 0.486 4.805 4.320 -0.001 0.000 0.242 146 A C 0.027 177.620 177.584 0.016 0.000 1.077 146 A CA -0.662 51.380 52.037 0.008 0.000 0.781 146 A CB -0.175 18.834 19.000 0.016 0.000 1.020 146 A HN 0.866 nan 8.150 nan 0.000 0.494 147 V N 3.339 123.261 119.914 0.014 0.000 2.432 147 V HA 0.101 4.220 4.120 -0.001 0.000 0.271 147 V C 0.974 177.084 176.094 0.027 0.000 1.046 147 V CA 0.036 62.345 62.300 0.015 0.000 0.945 147 V CB 0.834 32.660 31.823 0.006 0.000 0.992 147 V HN 1.042 nan 8.190 nan 0.000 0.471 148 K N 2.767 123.186 120.400 0.031 0.000 2.166 148 K HA 0.211 4.530 4.320 -0.001 0.000 0.201 148 K C 0.191 176.810 176.600 0.032 0.000 1.052 148 K CA 0.549 56.863 56.287 0.044 0.000 0.969 148 K CB 0.393 32.926 32.500 0.054 0.000 0.761 148 K HN 0.606 nan 8.250 nan 0.000 0.459 149 E N 0.318 120.512 120.200 -0.011 0.000 2.392 149 E HA 0.311 4.660 4.350 -0.001 0.000 0.279 149 E C -1.218 175.331 176.600 -0.086 0.000 0.964 149 E CA -0.534 55.829 56.400 -0.063 0.000 0.777 149 E CB 2.336 31.925 29.700 -0.184 0.000 1.249 149 E HN -0.016 nan 8.360 nan 0.000 0.449 150 R N 1.182 121.632 120.500 -0.083 0.000 2.494 150 R HA 0.595 4.934 4.340 -0.001 0.000 0.305 150 R C -0.634 175.609 176.300 -0.095 0.000 0.959 150 R CA -0.609 55.446 56.100 -0.076 0.000 0.864 150 R CB 1.288 31.567 30.300 -0.036 0.000 1.159 150 R HN 0.299 nan 8.270 nan 0.000 0.446 151 L N 4.604 125.773 121.223 -0.090 0.000 2.316 151 L HA 0.345 4.685 4.340 -0.001 0.000 0.280 151 L C 0.017 176.931 176.870 0.073 0.000 1.006 151 L CA -0.859 53.976 54.840 -0.008 0.000 0.836 151 L CB 1.660 43.627 42.059 -0.152 0.000 1.221 151 L HN 0.476 nan 8.230 nan 0.000 0.418 152 Q N 2.627 122.486 119.800 0.099 0.000 2.299 152 Q HA 0.745 5.085 4.340 -0.001 0.000 0.246 152 Q C -0.512 175.583 176.000 0.159 0.000 0.935 152 Q CA -0.668 55.181 55.803 0.077 0.000 0.887 152 Q CB 2.084 30.834 28.738 0.020 0.000 1.223 152 Q HN 0.644 nan 8.270 nan 0.000 0.439 153 A N 1.902 124.790 122.820 0.113 0.000 2.408 153 A HA 0.289 4.608 4.320 -0.001 0.000 0.295 153 A C -0.516 177.122 177.584 0.089 0.000 1.040 153 A CA -0.732 51.397 52.037 0.153 0.000 0.707 153 A CB 1.360 20.440 19.000 0.133 0.000 1.235 153 A HN 0.733 nan 8.150 nan 0.000 0.418 154 D N 0.764 121.228 120.400 0.107 0.000 2.117 154 D HA -0.034 4.605 4.640 -0.001 0.000 0.197 154 D C 0.226 176.400 176.300 -0.211 0.000 0.987 154 D CA 1.782 55.764 54.000 -0.030 0.000 0.829 154 D CB 0.070 40.897 40.800 0.044 0.000 0.961 154 D HN 0.678 nan 8.370 nan 0.000 0.460 155 H N -1.179 118.014 119.070 0.205 0.000 2.768 155 H HA 0.510 5.065 4.556 -0.001 0.000 0.371 155 H C -0.359 175.091 175.328 0.204 0.000 1.151 155 H CA -0.612 55.577 56.048 0.235 0.000 1.165 155 H CB 2.181 32.208 29.762 0.442 0.000 1.722 155 H HN -0.145 nan 8.280 nan 0.000 0.543 156 I N 3.104 123.807 120.570 0.221 0.000 2.499 156 I HA 0.081 4.251 4.170 -0.001 0.000 0.288 156 I C -0.970 175.266 176.117 0.199 0.000 1.048 156 I CA -0.814 60.581 61.300 0.157 0.000 1.062 156 I CB 2.554 40.579 38.000 0.042 0.000 1.238 156 I HN 0.142 nan 8.210 nan 0.000 0.426 157 L N 7.898 129.261 121.223 0.233 0.000 2.287 157 L HA 0.543 4.882 4.340 -0.001 0.000 0.287 157 L C -1.021 175.938 176.870 0.147 0.000 1.022 157 L CA -0.149 54.836 54.840 0.243 0.000 0.814 157 L CB 1.117 43.326 42.059 0.250 0.000 1.217 157 L HN 0.415 nan 8.230 nan 0.000 0.420 158 L N 6.333 127.635 121.223 0.132 0.000 2.260 158 L HA 0.688 5.028 4.340 -0.001 0.000 0.289 158 L C 0.441 177.374 176.870 0.105 0.000 1.057 158 L CA -0.227 54.669 54.840 0.094 0.000 0.811 158 L CB 1.101 43.205 42.059 0.074 0.000 1.184 158 L HN 0.855 nan 8.230 nan 0.000 0.429 159 A N 1.026 123.902 122.820 0.094 0.000 3.106 159 A HA 0.225 4.545 4.320 -0.001 0.000 0.227 159 A C 0.874 178.513 177.584 0.092 0.000 0.920 159 A CA -0.111 51.987 52.037 0.101 0.000 1.088 159 A CB -0.085 18.982 19.000 0.112 0.000 1.233 159 A HN 0.715 nan 8.150 nan 0.000 0.503 160 T N -3.133 111.470 114.554 0.083 0.000 3.148 160 T HA 0.426 4.776 4.350 -0.001 0.000 0.253 160 T C 1.443 176.213 174.700 0.116 0.000 1.134 160 T CA 1.210 63.355 62.100 0.075 0.000 1.051 160 T CB -0.230 68.671 68.868 0.056 0.000 0.959 160 T HN 2.064 nan 8.240 nan 0.000 0.525 161 G N 1.802 110.681 108.800 0.131 0.000 2.547 161 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.271 161 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.271 161 G C 0.070 175.084 174.900 0.191 0.000 1.209 161 G CA 0.347 45.544 45.100 0.163 0.000 0.959 161 G HN 1.539 nan 8.290 nan 0.000 0.563 162 S N -1.601 114.244 115.700 0.240 0.000 2.811 162 S HA 0.823 5.293 4.470 -0.001 0.000 0.311 162 S C -0.841 174.018 174.600 0.431 0.000 1.152 162 S CA 0.141 58.507 58.200 0.277 0.000 0.864 162 S CB 2.685 66.016 63.200 0.219 0.000 1.226 162 S HN 1.689 nan 8.310 nan 0.000 0.541 163 W N 0.607 121.977 121.300 0.117 0.000 3.296 163 W HA 0.409 5.068 4.660 -0.001 0.000 0.314 163 W C -3.399 173.176 176.519 0.094 0.000 1.238 163 W CA -2.140 55.275 57.345 0.116 0.000 1.193 163 W CB 1.781 31.314 29.460 0.121 0.000 1.383 163 W HN 0.489 nan 8.180 nan 0.000 0.545 164 P HA 0.006 nan 4.420 nan 0.000 0.271 164 P C -0.917 176.371 177.300 -0.020 0.000 1.216 164 P CA 0.436 63.414 63.100 -0.204 0.000 0.771 164 P CB 0.691 32.170 31.700 -0.369 0.000 0.864 165 Q N 2.865 122.686 119.800 0.035 0.000 2.267 165 Q HA 0.375 4.715 4.340 -0.001 0.000 0.255 165 Q C -0.926 175.097 176.000 0.039 0.000 0.923 165 Q CA -0.370 55.479 55.803 0.076 0.000 0.925 165 Q CB 0.431 29.215 28.738 0.076 0.000 1.195 165 Q HN 0.320 nan 8.270 nan 0.000 0.417 166 M N 5.562 125.195 119.600 0.055 0.000 2.294 166 M HA 0.449 4.929 4.480 -0.001 0.000 0.335 166 M C -2.254 174.065 176.300 0.031 0.000 1.079 166 M CA -2.361 52.957 55.300 0.030 0.000 0.982 166 M CB 1.040 33.662 32.600 0.036 0.000 1.651 166 M HN 0.586 nan 8.290 nan 0.000 0.437 167 P HA 0.360 nan 4.420 nan 0.000 0.277 167 P C -0.803 176.503 177.300 0.010 0.000 1.240 167 P CA -0.498 62.612 63.100 0.017 0.000 0.798 167 P CB 0.707 32.414 31.700 0.012 0.000 0.979 168 A N 4.104 126.931 122.820 0.012 0.000 2.990 168 A HA 0.402 4.722 4.320 -0.001 0.000 0.282 168 A C 0.791 178.374 177.584 -0.002 0.000 1.688 168 A CA -0.537 51.504 52.037 0.007 0.000 1.391 168 A CB -1.556 17.450 19.000 0.011 0.000 1.112 168 A HN 0.578 nan 8.150 nan 0.000 0.588 169 I N -1.776 118.788 120.570 -0.010 0.000 2.797 169 I HA 0.701 4.870 4.170 -0.001 0.000 0.307 169 I C -2.740 173.366 176.117 -0.018 0.000 1.033 169 I CA -3.177 58.113 61.300 -0.016 0.000 1.071 169 I CB 1.859 39.842 38.000 -0.028 0.000 1.255 169 I HN 0.064 nan 8.210 nan 0.000 0.445 170 P HA 0.158 nan 4.420 nan 0.000 0.266 170 P C 0.712 178.011 177.300 -0.000 0.000 1.195 170 P CA 0.697 63.791 63.100 -0.009 0.000 0.768 170 P CB 0.622 32.322 31.700 0.001 0.000 0.838 171 G N 2.294 111.088 108.800 -0.009 0.000 2.168 171 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.257 171 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.257 171 G C 0.804 175.669 174.900 -0.058 0.000 0.997 171 G CA 0.244 45.343 45.100 -0.000 0.000 0.708 171 G HN 0.556 nan 8.290 nan 0.000 0.520 172 I N 1.664 122.194 120.570 -0.066 0.000 2.423 172 I HA -0.133 4.037 4.170 -0.001 0.000 0.254 172 I C 2.581 178.648 176.117 -0.082 0.000 1.151 172 I CA 2.295 63.564 61.300 -0.052 0.000 1.421 172 I CB -0.135 37.846 38.000 -0.032 0.000 1.079 172 I HN 0.530 nan 8.210 nan 0.000 0.431 173 E N -0.558 119.539 120.200 -0.173 0.000 2.338 173 E HA -0.255 4.095 4.350 -0.001 0.000 0.197 173 E C 1.268 177.749 176.600 -0.199 0.000 1.007 173 E CA 1.280 57.565 56.400 -0.192 0.000 0.849 173 E CB -0.975 28.583 29.700 -0.236 0.000 0.774 173 E HN 0.602 nan 8.360 nan 0.000 0.506 174 H N -0.161 118.900 119.070 -0.015 0.000 2.547 174 H HA 0.181 4.736 4.556 -0.001 0.000 0.266 174 H C 0.373 175.679 175.328 -0.036 0.000 0.988 174 H CA 0.063 56.097 56.048 -0.023 0.000 1.147 174 H CB -0.142 29.604 29.762 -0.028 0.000 1.365 174 H HN 0.154 nan 8.280 nan 0.000 0.589 175 C N 1.129 120.452 119.300 0.038 0.000 2.486 175 C HA 0.642 5.101 4.460 -0.001 0.000 0.348 175 C C 1.001 175.977 174.990 -0.024 0.000 1.203 175 C CA -0.852 58.163 59.018 -0.005 0.000 1.911 175 C CB 1.591 29.317 27.740 -0.023 0.000 2.340 175 C HN 0.423 nan 8.230 nan 0.000 0.511 176 I N -0.122 120.415 120.570 -0.056 0.000 3.206 176 I HA 0.858 5.027 4.170 -0.001 0.000 0.313 176 I C -0.039 176.000 176.117 -0.130 0.000 1.103 176 I CA -0.214 61.039 61.300 -0.079 0.000 0.985 176 I CB 2.007 39.962 38.000 -0.074 0.000 1.240 176 I HN 0.688 nan 8.210 nan 0.000 0.464 177 S N 0.456 116.043 115.700 -0.189 0.000 2.776 177 S HA 0.368 4.838 4.470 -0.001 0.000 0.306 177 S C 1.039 175.430 174.600 -0.349 0.000 1.114 177 S CA 0.039 58.084 58.200 -0.259 0.000 0.973 177 S CB 1.064 64.079 63.200 -0.307 0.000 1.250 177 S HN 0.914 nan 8.310 nan 0.000 0.549 178 S N 1.118 116.565 115.700 -0.421 0.000 2.419 178 S HA -0.188 4.281 4.470 -0.001 0.000 0.235 178 S C 1.458 175.877 174.600 -0.302 0.000 1.019 178 S CA 1.322 59.164 58.200 -0.596 0.000 0.982 178 S CB -1.046 61.937 63.200 -0.363 0.000 0.789 178 S HN 0.664 nan 8.310 nan 0.000 0.490 179 N N 2.159 120.700 118.700 -0.265 0.000 2.043 179 N HA -0.083 4.657 4.740 -0.001 0.000 0.193 179 N C 1.697 177.094 175.510 -0.187 0.000 1.037 179 N CA 1.868 54.729 53.050 -0.315 0.000 0.851 179 N CB -0.574 37.327 38.487 -0.977 0.000 1.027 179 N HN 0.552 nan 8.380 nan 0.000 0.422 180 E N 0.582 120.627 120.200 -0.258 0.000 2.208 180 E HA 0.091 4.440 4.350 -0.001 0.000 0.193 180 E C 1.846 178.555 176.600 0.182 0.000 0.988 180 E CA 0.765 57.199 56.400 0.057 0.000 0.828 180 E CB -0.321 29.386 29.700 0.011 0.000 0.763 180 E HN 0.350 nan 8.360 nan 0.000 0.478 181 A N 0.193 123.001 122.820 -0.020 0.000 1.978 181 A HA -0.171 4.148 4.320 -0.001 0.000 0.220 181 A C 1.650 179.330 177.584 0.159 0.000 1.170 181 A CA 1.072 53.101 52.037 -0.014 0.000 0.636 181 A CB -0.736 17.899 19.000 -0.609 0.000 0.810 181 A HN 0.239 nan 8.150 nan 0.000 0.448 182 F N -2.271 117.771 119.950 0.153 0.000 2.502 182 F HA -0.017 4.509 4.527 -0.001 0.000 0.298 182 F C 1.196 176.745 175.800 -0.418 0.000 1.111 182 F CA 0.971 58.905 58.000 -0.109 0.000 1.445 182 F CB -0.204 38.652 39.000 -0.239 0.000 1.081 182 F HN 0.339 nan 8.300 nan 0.000 0.558 183 Y N -1.126 119.413 120.300 0.398 0.000 2.588 183 Y HA 0.318 4.867 4.550 -0.001 0.000 0.247 183 Y C 0.373 176.473 175.900 0.333 0.000 1.157 183 Y CA -0.877 57.419 58.100 0.327 0.000 1.215 183 Y CB -0.246 38.411 38.460 0.328 0.000 1.245 183 Y HN -0.282 nan 8.280 nan 0.000 0.534 184 L N 3.090 124.609 121.223 0.493 0.000 2.601 184 L HA -0.022 4.318 4.340 -0.001 0.000 0.277 184 L C -1.361 175.805 176.870 0.492 0.000 1.219 184 L CA -0.950 54.141 54.840 0.418 0.000 0.915 184 L CB 0.459 42.705 42.059 0.311 0.000 1.160 184 L HN 0.002 nan 8.230 nan 0.000 0.494 185 P HA -0.135 nan 4.420 nan 0.000 0.219 185 P C -0.349 177.135 177.300 0.307 0.000 1.146 185 P CA 1.149 64.415 63.100 0.276 0.000 0.808 185 P CB 0.220 32.021 31.700 0.168 0.000 0.779 186 E N -2.186 118.118 120.200 0.173 0.000 2.390 186 E HA 0.418 4.767 4.350 -0.001 0.000 0.277 186 E C -3.117 173.205 176.600 -0.463 0.000 0.939 186 E CA -2.701 53.702 56.400 0.005 0.000 0.769 186 E CB 1.537 31.256 29.700 0.032 0.000 1.251 186 E HN -0.225 nan 8.360 nan 0.000 0.450 187 P HA 0.211 nan 4.420 nan 0.000 0.276 187 P C -2.385 174.644 177.300 -0.451 0.000 1.235 187 P CA -1.406 61.148 63.100 -0.909 0.000 0.772 187 P CB 0.147 31.503 31.700 -0.573 0.000 0.871 188 P HA 0.141 nan 4.420 nan 0.000 0.271 188 P C 1.057 178.208 177.300 -0.247 0.000 1.220 188 P CA -0.109 62.777 63.100 -0.356 0.000 0.768 188 P CB 1.035 32.436 31.700 -0.498 0.000 0.848 189 R N 3.591 123.993 120.500 -0.163 0.000 2.094 189 R HA -0.119 4.220 4.340 -0.001 0.000 0.239 189 R C 0.330 176.564 176.300 -0.109 0.000 1.137 189 R CA 1.407 57.443 56.100 -0.107 0.000 0.943 189 R CB 0.147 30.401 30.300 -0.076 0.000 0.850 189 R HN 0.494 nan 8.270 nan 0.000 0.433 190 R N -0.251 120.170 120.500 -0.130 0.000 2.534 190 R HA 0.425 4.764 4.340 -0.001 0.000 0.301 190 R C -1.608 174.585 176.300 -0.179 0.000 0.961 190 R CA -0.507 55.522 56.100 -0.117 0.000 0.871 190 R CB 2.759 33.013 30.300 -0.078 0.000 1.170 190 R HN 0.024 nan 8.270 nan 0.000 0.446 191 V N 4.541 124.344 119.914 -0.185 0.000 2.760 191 V HA 0.493 4.612 4.120 -0.001 0.000 0.309 191 V C -1.726 174.296 176.094 -0.120 0.000 1.077 191 V CA -1.002 61.149 62.300 -0.249 0.000 0.910 191 V CB 2.103 33.591 31.823 -0.558 0.000 1.008 191 V HN 0.598 nan 8.190 nan 0.000 0.424 192 L N 6.366 127.535 121.223 -0.091 0.000 2.272 192 L HA 0.780 5.120 4.340 -0.001 0.000 0.289 192 L C 0.263 177.132 176.870 -0.001 0.000 1.032 192 L CA 0.444 55.278 54.840 -0.009 0.000 0.810 192 L CB 1.636 43.707 42.059 0.021 0.000 1.205 192 L HN 0.925 nan 8.230 nan 0.000 0.422 193 T N 2.475 117.060 114.554 0.051 0.000 2.758 193 T HA 0.627 4.976 4.350 -0.001 0.000 0.285 193 T C -0.347 174.391 174.700 0.064 0.000 0.981 193 T CA -0.728 61.409 62.100 0.062 0.000 0.965 193 T CB 1.024 69.962 68.868 0.117 0.000 0.927 193 T HN 0.307 nan 8.240 nan 0.000 0.448 194 V N 3.350 123.291 119.914 0.045 0.000 2.350 194 V HA 0.824 4.943 4.120 -0.001 0.000 0.276 194 V C 0.844 176.982 176.094 0.073 0.000 1.028 194 V CA 0.151 62.495 62.300 0.073 0.000 0.860 194 V CB 0.202 32.053 31.823 0.047 0.000 0.990 194 V HN 1.489 nan 8.190 nan 0.000 0.453 195 G N 3.377 112.254 108.800 0.127 0.000 2.379 195 G HA2 0.347 4.307 3.960 -0.001 0.000 0.609 195 G HA3 0.347 4.307 3.960 -0.001 0.000 0.609 195 G C 0.085 175.010 174.900 0.040 0.000 1.484 195 G CA -0.344 44.830 45.100 0.123 0.000 0.921 195 G HN 0.998 nan 8.290 nan 0.000 0.658 196 G N -0.370 108.343 108.800 -0.144 0.000 3.393 196 G HA2 0.615 4.575 3.960 -0.001 0.000 0.255 196 G HA3 0.615 4.575 3.960 -0.001 0.000 0.255 196 G C 0.842 175.555 174.900 -0.311 0.000 1.097 196 G CA 1.108 45.901 45.100 -0.512 0.000 0.780 196 G HN 1.263 nan 8.290 nan 0.000 0.540 197 G N -0.002 108.723 108.800 -0.125 0.000 2.532 197 G HA2 0.413 4.372 3.960 -0.001 0.000 0.291 197 G HA3 0.413 4.372 3.960 -0.001 0.000 0.291 197 G C 0.796 175.710 174.900 0.024 0.000 1.349 197 G CA -0.420 44.693 45.100 0.021 0.000 1.038 197 G HN 0.215 nan 8.290 nan 0.000 0.518 198 F N -1.194 118.755 119.950 -0.001 0.000 2.293 198 F HA 0.134 4.660 4.527 -0.001 0.000 0.300 198 F C 2.003 177.821 175.800 0.029 0.000 1.086 198 F CA 0.653 58.635 58.000 -0.031 0.000 1.375 198 F CB -0.538 38.470 39.000 0.014 0.000 1.045 198 F HN 0.168 nan 8.300 nan 0.000 0.516 199 I N -0.017 120.103 120.570 -0.751 0.000 2.233 199 I HA -0.208 3.961 4.170 -0.001 0.000 0.243 199 I C 2.844 178.907 176.117 -0.090 0.000 1.093 199 I CA 1.315 62.323 61.300 -0.486 0.000 1.380 199 I CB -0.756 36.917 38.000 -0.545 0.000 1.067 199 I HN 0.314 nan 8.210 nan 0.000 0.413 200 S N 0.510 116.149 115.700 -0.102 0.000 2.359 200 S HA -0.183 4.286 4.470 -0.001 0.000 0.223 200 S C 2.109 176.723 174.600 0.023 0.000 1.039 200 S CA 1.808 60.001 58.200 -0.012 0.000 1.042 200 S CB -0.273 62.913 63.200 -0.024 0.000 0.915 200 S HN 0.227 nan 8.310 nan 0.000 0.439 201 V N 1.525 121.424 119.914 -0.025 0.000 2.427 201 V HA -0.111 4.009 4.120 -0.001 0.000 0.248 201 V C 2.417 178.498 176.094 -0.021 0.000 1.051 201 V CA 1.998 64.282 62.300 -0.027 0.000 1.048 201 V CB -0.714 31.070 31.823 -0.065 0.000 0.666 201 V HN 0.526 nan 8.190 nan 0.000 0.456 202 E N -0.579 119.603 120.200 -0.029 0.000 2.047 202 E HA -0.183 4.167 4.350 -0.001 0.000 0.191 202 E C 2.099 178.575 176.600 -0.205 0.000 0.987 202 E CA 1.333 57.684 56.400 -0.083 0.000 0.799 202 E CB -0.205 29.456 29.700 -0.065 0.000 0.752 202 E HN 0.563 nan 8.360 nan 0.000 0.449 203 F N 1.014 120.845 119.950 -0.199 0.000 2.216 203 F HA -0.152 4.375 4.527 -0.001 0.000 0.300 203 F C 2.372 178.040 175.800 -0.220 0.000 1.085 203 F CA 1.051 58.843 58.000 -0.347 0.000 1.326 203 F CB -0.340 38.438 39.000 -0.369 0.000 1.027 203 F HN 0.006 nan 8.300 nan 0.000 0.497 204 A N 0.002 122.897 122.820 0.124 0.000 1.908 204 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 204 A C 2.543 180.182 177.584 0.092 0.000 1.181 204 A CA 1.874 54.006 52.037 0.159 0.000 0.627 204 A CB -1.563 17.492 19.000 0.092 0.000 0.818 204 A HN 0.403 nan 8.150 nan 0.000 0.445 205 G N -0.420 108.385 108.800 0.008 0.000 2.421 205 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.217 205 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.217 205 G C 1.497 176.404 174.900 0.010 0.000 1.143 205 G CA 0.919 46.020 45.100 0.003 0.000 0.784 205 G HN 0.467 nan 8.290 nan 0.000 0.541 206 I N -0.006 120.508 120.570 -0.092 0.000 2.142 206 I HA -0.113 4.057 4.170 -0.001 0.000 0.240 206 I C 2.380 178.588 176.117 0.151 0.000 1.078 206 I CA 0.909 62.170 61.300 -0.064 0.000 1.343 206 I CB -0.255 37.502 38.000 -0.406 0.000 1.046 206 I HN 0.035 nan 8.210 nan 0.000 0.405 207 F N 0.993 121.041 119.950 0.164 0.000 2.171 207 F HA -0.226 4.301 4.527 -0.001 0.000 0.300 207 F C 2.354 178.206 175.800 0.087 0.000 1.090 207 F CA 1.601 59.661 58.000 0.100 0.000 1.293 207 F CB -1.305 37.713 39.000 0.029 0.000 1.013 207 F HN 0.167 nan 8.300 nan 0.000 0.486 208 N N 0.320 119.174 118.700 0.256 0.000 2.223 208 N HA -0.143 4.596 4.740 -0.001 0.000 0.185 208 N C 1.681 177.255 175.510 0.107 0.000 1.016 208 N CA 1.314 54.447 53.050 0.139 0.000 0.863 208 N CB -0.190 38.348 38.487 0.084 0.000 0.983 208 N HN 0.179 nan 8.380 nan 0.000 0.429 209 A N -1.500 121.398 122.820 0.130 0.000 2.021 209 A HA 0.074 4.394 4.320 -0.001 0.000 0.216 209 A C 1.198 178.744 177.584 -0.063 0.000 1.163 209 A CA 0.572 52.624 52.037 0.026 0.000 0.676 209 A CB -0.456 18.544 19.000 -0.001 0.000 0.818 209 A HN 0.452 nan 8.150 nan 0.000 0.453 210 Y N 0.939 121.340 120.300 0.168 0.000 2.458 210 Y HA 0.127 4.677 4.550 -0.001 0.000 0.256 210 Y C 0.898 176.860 175.900 0.105 0.000 1.159 210 Y CA -0.151 58.071 58.100 0.204 0.000 1.261 210 Y CB 0.210 38.921 38.460 0.418 0.000 1.119 210 Y HN 0.295 nan 8.280 nan 0.000 0.524 211 K N 2.096 122.592 120.400 0.160 0.000 2.485 211 K HA 0.095 4.414 4.320 -0.001 0.000 0.277 211 K C -2.659 173.966 176.600 0.041 0.000 0.990 211 K CA -1.381 54.941 56.287 0.059 0.000 0.994 211 K CB -0.082 32.437 32.500 0.031 0.000 0.906 211 K HN -0.043 nan 8.250 nan 0.000 0.488 212 P HA 0.112 nan 4.420 nan 0.000 0.274 212 P C -2.013 175.293 177.300 0.009 0.000 1.256 212 P CA -1.401 61.709 63.100 0.017 0.000 0.795 212 P CB -0.117 31.583 31.700 0.000 0.000 1.038 213 P HA -0.218 nan 4.420 nan 0.000 0.221 213 P C 1.113 178.414 177.300 0.003 0.000 1.107 213 P CA 2.551 65.657 63.100 0.010 0.000 0.986 213 P CB -0.604 31.102 31.700 0.011 0.000 0.774 214 G N -1.285 107.513 108.800 -0.004 0.000 3.882 214 G HA2 0.428 4.387 3.960 -0.001 0.000 0.283 214 G HA3 0.428 4.387 3.960 -0.001 0.000 0.283 214 G C 0.458 175.350 174.900 -0.014 0.000 1.283 214 G CA 0.122 45.217 45.100 -0.007 0.000 1.402 214 G HN 0.439 nan 8.290 nan 0.000 0.618 215 G N -0.043 108.748 108.800 -0.013 0.000 2.528 215 G HA2 0.561 4.521 3.960 -0.001 0.000 0.289 215 G HA3 0.561 4.521 3.960 -0.001 0.000 0.289 215 G C -0.737 174.151 174.900 -0.019 0.000 1.192 215 G CA -0.556 44.530 45.100 -0.023 0.000 0.921 215 G HN 0.347 nan 8.290 nan 0.000 0.512 216 K N -0.618 119.766 120.400 -0.027 0.000 2.561 216 K HA 0.459 4.778 4.320 -0.001 0.000 0.254 216 K C -1.452 175.134 176.600 -0.022 0.000 0.942 216 K CA -0.506 55.770 56.287 -0.019 0.000 0.818 216 K CB 1.904 34.392 32.500 -0.021 0.000 1.306 216 K HN 0.350 nan 8.250 nan 0.000 0.435 217 V N 3.467 123.381 119.914 0.000 0.000 2.435 217 V HA 0.609 4.729 4.120 -0.001 0.000 0.290 217 V C -0.561 175.542 176.094 0.015 0.000 1.030 217 V CA -0.519 61.791 62.300 0.017 0.000 0.881 217 V CB 1.902 33.772 31.823 0.078 0.000 0.983 217 V HN 0.870 nan 8.190 nan 0.000 0.445 218 T N 6.003 120.567 114.554 0.017 0.000 2.824 218 T HA 0.593 4.943 4.350 -0.001 0.000 0.282 218 T C -0.670 174.057 174.700 0.045 0.000 0.993 218 T CA -0.332 61.781 62.100 0.022 0.000 0.967 218 T CB 1.604 70.485 68.868 0.022 0.000 0.960 218 T HN 0.513 nan 8.240 nan 0.000 0.441 219 L N 3.959 125.207 121.223 0.041 0.000 2.313 219 L HA 0.708 5.047 4.340 -0.001 0.000 0.283 219 L C -0.168 176.741 176.870 0.065 0.000 1.013 219 L CA -0.668 54.206 54.840 0.058 0.000 0.816 219 L CB 0.351 42.436 42.059 0.044 0.000 1.236 219 L HN 0.966 nan 8.230 nan 0.000 0.419 220 C N 2.836 122.202 119.300 0.109 0.000 2.397 220 C HA 0.697 5.156 4.460 -0.001 0.000 0.343 220 C C -0.657 174.456 174.990 0.205 0.000 1.188 220 C CA -1.003 58.090 59.018 0.125 0.000 1.992 220 C CB 0.858 28.710 27.740 0.187 0.000 2.358 220 C HN 0.797 nan 8.230 nan 0.000 0.518 221 Y N 2.373 122.685 120.300 0.021 0.000 2.457 221 Y HA 0.507 5.056 4.550 -0.001 0.000 0.343 221 Y C 1.262 177.178 175.900 0.027 0.000 0.994 221 Y CA -1.193 56.924 58.100 0.028 0.000 1.031 221 Y CB 1.341 39.813 38.460 0.019 0.000 1.246 221 Y HN 0.923 nan 8.280 nan 0.000 0.449 222 R N 2.382 122.608 120.500 -0.456 0.000 2.148 222 R HA 0.019 4.359 4.340 -0.001 0.000 0.223 222 R C -0.786 175.183 176.300 -0.552 0.000 1.088 222 R CA 1.150 57.023 56.100 -0.377 0.000 0.985 222 R CB -0.258 29.903 30.300 -0.233 0.000 0.880 222 R HN 0.685 nan 8.270 nan 0.000 0.451 223 N N 0.335 118.336 118.700 -1.164 0.000 2.681 223 N HA 0.051 4.790 4.740 -0.001 0.000 0.311 223 N C 0.182 175.547 175.510 -0.242 0.000 1.303 223 N CA -0.234 52.459 53.050 -0.595 0.000 0.926 223 N CB 0.553 38.792 38.487 -0.415 0.000 1.136 223 N HN 0.250 nan 8.380 nan 0.000 0.592 224 N N -0.567 118.127 118.700 -0.009 0.000 2.373 224 N HA 0.073 4.813 4.740 -0.001 0.000 0.181 224 N C -0.713 174.878 175.510 0.135 0.000 1.082 224 N CA 0.238 53.320 53.050 0.054 0.000 0.885 224 N CB 0.427 38.925 38.487 0.019 0.000 0.977 224 N HN 0.249 nan 8.380 nan 0.000 0.462 225 L N 1.319 122.686 121.223 0.240 0.000 2.505 225 L HA 0.469 4.808 4.340 -0.001 0.000 0.266 225 L C -0.600 176.358 176.870 0.147 0.000 0.954 225 L CA -1.243 53.698 54.840 0.168 0.000 0.852 225 L CB 1.552 43.669 42.059 0.097 0.000 1.282 225 L HN 0.197 nan 8.230 nan 0.000 0.403 226 I N 2.246 122.809 120.570 -0.011 0.000 3.060 226 I HA 0.304 4.474 4.170 -0.001 0.000 0.285 226 I C 0.289 176.287 176.117 -0.198 0.000 1.190 226 I CA -0.601 60.529 61.300 -0.283 0.000 1.363 226 I CB 0.276 38.151 38.000 -0.208 0.000 1.396 226 I HN 0.792 nan 8.210 nan 0.000 0.607 227 L N 0.852 121.927 121.223 -0.246 0.000 3.548 227 L HA -0.169 4.171 4.340 -0.001 0.000 0.443 227 L C 0.604 177.565 176.870 0.151 0.000 1.286 227 L CA 0.266 55.078 54.840 -0.046 0.000 0.863 227 L CB -1.533 40.417 42.059 -0.182 0.000 1.734 227 L HN 0.748 nan 8.230 nan 0.000 0.873 228 R N 0.392 120.941 120.500 0.083 0.000 2.538 228 R HA 0.132 4.471 4.340 -0.001 0.000 0.273 228 R C 1.490 177.893 176.300 0.172 0.000 0.967 228 R CA 1.563 57.742 56.100 0.131 0.000 1.101 228 R CB 0.158 30.537 30.300 0.130 0.000 0.908 228 R HN 0.562 nan 8.270 nan 0.000 0.411 229 G N 2.217 111.059 108.800 0.070 0.000 2.241 229 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.244 229 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.244 229 G C -0.032 174.712 174.900 -0.259 0.000 0.998 229 G CA -0.170 44.876 45.100 -0.089 0.000 0.621 229 G HN 0.494 nan 8.290 nan 0.000 0.519 230 F N 1.473 121.397 119.950 -0.044 0.000 2.411 230 F HA 0.513 5.040 4.527 -0.001 0.000 0.324 230 F C 0.860 176.581 175.800 -0.132 0.000 1.086 230 F CA -0.452 57.504 58.000 -0.074 0.000 1.028 230 F CB 0.605 39.572 39.000 -0.055 0.000 1.284 230 F HN 0.025 nan 8.300 nan 0.000 0.501 231 D N 1.425 121.805 120.400 -0.032 0.000 2.488 231 D HA -0.097 4.542 4.640 -0.001 0.000 0.238 231 D C 0.818 177.102 176.300 -0.028 0.000 1.138 231 D CA 0.305 54.202 54.000 -0.171 0.000 0.873 231 D CB 0.933 41.586 40.800 -0.244 0.000 1.183 231 D HN 0.770 nan 8.370 nan 0.000 0.458 232 E N 2.019 122.207 120.200 -0.021 0.000 2.072 232 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 232 E C 1.401 178.012 176.600 0.018 0.000 0.985 232 E CA 1.179 57.589 56.400 0.016 0.000 0.801 232 E CB 0.228 29.944 29.700 0.028 0.000 0.750 232 E HN 0.574 nan 8.360 nan 0.000 0.452 233 T N 1.309 115.877 114.554 0.025 0.000 2.684 233 T HA -0.152 4.198 4.350 -0.001 0.000 0.267 233 T C 1.914 176.616 174.700 0.002 0.000 1.036 233 T CA 1.355 63.470 62.100 0.025 0.000 1.148 233 T CB -0.189 68.709 68.868 0.051 0.000 0.863 233 T HN 0.186 nan 8.240 nan 0.000 0.436 234 I N 0.540 121.108 120.570 -0.004 0.000 2.315 234 I HA -0.150 4.019 4.170 -0.001 0.000 0.248 234 I C 2.778 178.871 176.117 -0.040 0.000 1.117 234 I CA 1.158 62.440 61.300 -0.030 0.000 1.404 234 I CB -0.266 37.722 38.000 -0.019 0.000 1.071 234 I HN 0.140 nan 8.210 nan 0.000 0.419 235 R N 0.674 121.165 120.500 -0.015 0.000 2.083 235 R HA -0.210 4.129 4.340 -0.001 0.000 0.237 235 R C 2.188 178.471 176.300 -0.028 0.000 1.137 235 R CA 1.741 57.827 56.100 -0.023 0.000 0.951 235 R CB -0.367 29.940 30.300 0.012 0.000 0.851 235 R HN 0.412 nan 8.270 nan 0.000 0.434 236 E N 0.004 120.196 120.200 -0.013 0.000 2.077 236 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 236 E C 1.984 178.571 176.600 -0.022 0.000 0.989 236 E CA 0.881 57.273 56.400 -0.012 0.000 0.800 236 E CB 0.071 29.769 29.700 -0.002 0.000 0.746 236 E HN 0.152 nan 8.360 nan 0.000 0.452 237 E N 0.412 120.595 120.200 -0.029 0.000 2.072 237 E HA -0.092 4.257 4.350 -0.001 0.000 0.190 237 E C 2.006 178.578 176.600 -0.046 0.000 0.982 237 E CA 0.319 56.698 56.400 -0.034 0.000 0.803 237 E CB -0.247 29.424 29.700 -0.047 0.000 0.755 237 E HN 0.060 nan 8.360 nan 0.000 0.453 238 V N 0.349 120.223 119.914 -0.067 0.000 2.515 238 V HA -0.214 3.905 4.120 -0.001 0.000 0.250 238 V C 1.913 177.969 176.094 -0.064 0.000 1.058 238 V CA 2.171 64.424 62.300 -0.079 0.000 1.064 238 V CB -0.436 31.316 31.823 -0.118 0.000 0.675 238 V HN 0.321 nan 8.190 nan 0.000 0.461 239 T N -0.072 114.449 114.554 -0.056 0.000 2.652 239 T HA -0.222 4.127 4.350 -0.001 0.000 0.267 239 T C 1.861 176.531 174.700 -0.049 0.000 1.039 239 T CA 1.834 63.905 62.100 -0.047 0.000 1.153 239 T CB -0.215 68.634 68.868 -0.032 0.000 0.863 239 T HN 0.500 nan 8.240 nan 0.000 0.428 240 K N 0.911 121.286 120.400 -0.041 0.000 2.103 240 K HA -0.106 4.213 4.320 -0.001 0.000 0.207 240 K C 2.553 179.111 176.600 -0.070 0.000 1.048 240 K CA 1.252 57.511 56.287 -0.046 0.000 0.930 240 K CB -0.156 32.333 32.500 -0.019 0.000 0.716 240 K HN 0.477 nan 8.250 nan 0.000 0.444 241 Q N 0.421 120.200 119.800 -0.036 0.000 2.245 241 Q HA -0.002 4.337 4.340 -0.001 0.000 0.201 241 Q C 2.148 178.089 176.000 -0.098 0.000 0.955 241 Q CA 0.662 56.461 55.803 -0.006 0.000 0.870 241 Q CB 0.080 28.881 28.738 0.104 0.000 0.945 241 Q HN 0.297 nan 8.270 nan 0.000 0.461 242 L N -0.136 121.039 121.223 -0.080 0.000 2.072 242 L HA -0.121 4.219 4.340 -0.001 0.000 0.205 242 L C 2.304 179.108 176.870 -0.110 0.000 1.079 242 L CA 1.070 55.864 54.840 -0.078 0.000 0.752 242 L CB -0.446 41.580 42.059 -0.056 0.000 0.906 242 L HN 0.203 nan 8.230 nan 0.000 0.436 243 T N 0.072 114.556 114.554 -0.116 0.000 2.708 243 T HA -0.173 4.177 4.350 -0.001 0.000 0.266 243 T C 2.022 176.604 174.700 -0.196 0.000 1.037 243 T CA 1.327 63.353 62.100 -0.122 0.000 1.146 243 T CB -0.267 68.543 68.868 -0.096 0.000 0.865 243 T HN 0.427 nan 8.240 nan 0.000 0.435 244 A N 1.863 124.495 122.820 -0.313 0.000 1.986 244 A HA -0.152 4.168 4.320 -0.001 0.000 0.220 244 A C 2.011 179.272 177.584 -0.539 0.000 1.171 244 A CA 1.697 53.399 52.037 -0.558 0.000 0.640 244 A CB -0.604 17.713 19.000 -1.139 0.000 0.811 244 A HN 0.425 nan 8.150 nan 0.000 0.451 245 N N -1.079 117.399 118.700 -0.370 0.000 2.313 245 N HA 0.248 4.988 4.740 -0.001 0.000 0.207 245 N C 0.840 176.289 175.510 -0.101 0.000 1.141 245 N CA 0.959 53.895 53.050 -0.190 0.000 0.830 245 N CB 0.006 38.441 38.487 -0.086 0.000 1.008 245 N HN 0.591 nan 8.380 nan 0.000 0.481 246 G N -0.038 108.696 108.800 -0.110 0.000 2.157 246 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.239 246 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.239 246 G C -0.006 174.867 174.900 -0.045 0.000 0.982 246 G CA -0.030 45.031 45.100 -0.065 0.000 0.650 246 G HN 0.306 nan 8.290 nan 0.000 0.527 247 I N 1.241 121.781 120.570 -0.049 0.000 2.395 247 I HA 0.345 4.515 4.170 -0.001 0.000 0.289 247 I C 0.691 176.788 176.117 -0.034 0.000 1.023 247 I CA -0.468 60.817 61.300 -0.025 0.000 1.350 247 I CB 1.438 39.431 38.000 -0.012 0.000 1.409 247 I HN 0.265 nan 8.210 nan 0.000 0.507 248 E N 7.102 127.287 120.200 -0.024 0.000 2.089 248 E HA 0.306 4.655 4.350 -0.001 0.000 0.284 248 E C -1.057 175.527 176.600 -0.026 0.000 1.023 248 E CA -0.753 55.627 56.400 -0.033 0.000 0.819 248 E CB 0.820 30.499 29.700 -0.035 0.000 1.076 248 E HN 0.413 nan 8.360 nan 0.000 0.396 249 I N 5.343 125.895 120.570 -0.030 0.000 2.352 249 I HA 0.120 4.290 4.170 -0.001 0.000 0.290 249 I C 0.146 176.243 176.117 -0.033 0.000 1.036 249 I CA 0.197 61.486 61.300 -0.018 0.000 1.336 249 I CB 0.983 38.975 38.000 -0.013 0.000 1.407 249 I HN 0.610 nan 8.210 nan 0.000 0.497 250 M N 6.913 126.490 119.600 -0.039 0.000 2.103 250 M HA 0.270 4.750 4.480 -0.001 0.000 0.350 250 M C 0.037 176.313 176.300 -0.040 0.000 1.100 250 M CA -0.575 54.669 55.300 -0.092 0.000 1.042 250 M CB 0.487 32.960 32.600 -0.213 0.000 1.368 250 M HN 0.613 nan 8.290 nan 0.000 0.404 251 T N -1.310 113.234 114.554 -0.016 0.000 2.874 251 T HA 0.326 4.676 4.350 -0.001 0.000 0.281 251 T C 0.851 175.518 174.700 -0.055 0.000 0.994 251 T CA -0.762 61.348 62.100 0.016 0.000 1.015 251 T CB 0.656 69.560 68.868 0.061 0.000 1.028 251 T HN 0.738 nan 8.240 nan 0.000 0.523 252 N N 0.611 119.260 118.700 -0.085 0.000 2.708 252 N HA -0.145 4.595 4.740 -0.001 0.000 0.249 252 N C -0.802 174.654 175.510 -0.089 0.000 1.097 252 N CA 0.938 53.928 53.050 -0.099 0.000 0.710 252 N CB -0.776 37.669 38.487 -0.071 0.000 1.032 252 N HN 0.732 nan 8.380 nan 0.000 0.551 253 E N 0.490 120.639 120.200 -0.084 0.000 2.272 253 E HA 0.454 4.804 4.350 -0.001 0.000 0.269 253 E C -0.678 175.983 176.600 0.101 0.000 0.877 253 E CA -0.593 55.779 56.400 -0.046 0.000 0.755 253 E CB 2.139 31.664 29.700 -0.291 0.000 1.192 253 E HN 0.165 nan 8.360 nan 0.000 0.422 254 N N 2.141 120.980 118.700 0.232 0.000 2.310 254 N HA 0.398 5.137 4.740 -0.001 0.000 0.292 254 N C -2.973 172.666 175.510 0.214 0.000 1.049 254 N CA -1.925 51.247 53.050 0.205 0.000 0.849 254 N CB 2.039 40.568 38.487 0.069 0.000 1.532 254 N HN -0.012 nan 8.380 nan 0.000 0.479 255 P HA 0.149 nan 4.420 nan 0.000 0.267 255 P C -0.481 176.733 177.300 -0.143 0.000 1.205 255 P CA 0.050 62.983 63.100 -0.279 0.000 0.765 255 P CB 1.022 32.556 31.700 -0.277 0.000 0.828 256 A N 4.651 127.374 122.820 -0.162 0.000 2.014 256 A HA 0.115 4.435 4.320 -0.001 0.000 0.210 256 A C 0.547 178.082 177.584 -0.082 0.000 1.188 256 A CA 1.163 53.152 52.037 -0.079 0.000 0.731 256 A CB -0.238 18.737 19.000 -0.041 0.000 0.858 256 A HN 0.597 nan 8.150 nan 0.000 0.464 257 K N -2.450 117.877 120.400 -0.121 0.000 2.607 257 K HA 0.655 4.974 4.320 -0.001 0.000 0.287 257 K C -1.795 174.745 176.600 -0.099 0.000 0.996 257 K CA -0.817 55.425 56.287 -0.076 0.000 0.876 257 K CB 1.588 34.070 32.500 -0.030 0.000 1.496 257 K HN -0.070 nan 8.250 nan 0.000 0.415 258 V N 1.002 120.903 119.914 -0.022 0.000 2.760 258 V HA 0.620 4.740 4.120 -0.001 0.000 0.309 258 V C -0.957 175.197 176.094 0.099 0.000 1.077 258 V CA -0.532 61.768 62.300 0.001 0.000 0.910 258 V CB 1.801 33.638 31.823 0.023 0.000 1.008 258 V HN 1.017 nan 8.190 nan 0.000 0.424 259 S N 3.993 119.715 115.700 0.037 0.000 2.627 259 S HA 0.811 5.280 4.470 -0.001 0.000 0.283 259 S C -1.078 173.413 174.600 -0.182 0.000 1.127 259 S CA -0.933 57.255 58.200 -0.020 0.000 0.863 259 S CB 1.857 65.079 63.200 0.036 0.000 1.121 259 S HN 0.516 nan 8.310 nan 0.000 0.479 260 L N 2.317 123.366 121.223 -0.290 0.000 2.292 260 L HA 0.426 4.765 4.340 -0.001 0.000 0.284 260 L C 0.209 176.995 176.870 -0.141 0.000 1.065 260 L CA -0.888 53.785 54.840 -0.277 0.000 0.806 260 L CB 0.718 42.592 42.059 -0.308 0.000 1.175 260 L HN 0.685 nan 8.230 nan 0.000 0.431 261 N N 0.616 119.251 118.700 -0.109 0.000 2.354 261 N HA 0.019 4.758 4.740 -0.001 0.000 0.246 261 N C 1.259 176.719 175.510 -0.083 0.000 1.285 261 N CA 0.249 53.239 53.050 -0.100 0.000 0.925 261 N CB 0.909 39.348 38.487 -0.080 0.000 1.174 261 N HN 0.655 nan 8.380 nan 0.000 0.478 262 T N -2.460 112.050 114.554 -0.073 0.000 2.881 262 T HA -0.182 4.168 4.350 -0.001 0.000 0.270 262 T C 0.871 175.544 174.700 -0.046 0.000 1.068 262 T CA 1.296 63.363 62.100 -0.054 0.000 1.131 262 T CB -0.230 68.610 68.868 -0.047 0.000 0.871 262 T HN 0.601 nan 8.240 nan 0.000 0.479 263 D N 0.957 121.329 120.400 -0.046 0.000 2.363 263 D HA 0.221 4.861 4.640 -0.001 0.000 0.226 263 D C 1.698 177.972 176.300 -0.042 0.000 1.020 263 D CA 0.641 54.618 54.000 -0.038 0.000 0.892 263 D CB -0.807 39.972 40.800 -0.034 0.000 0.900 263 D HN 0.628 nan 8.370 nan 0.000 0.531 264 G N -0.006 108.761 108.800 -0.056 0.000 2.195 264 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.246 264 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.246 264 G C 0.501 175.355 174.900 -0.076 0.000 0.984 264 G CA 0.410 45.471 45.100 -0.064 0.000 0.633 264 G HN 0.816 nan 8.290 nan 0.000 0.525 265 S N -0.258 115.402 115.700 -0.066 0.000 2.589 265 S HA 0.605 5.075 4.470 -0.001 0.000 0.265 265 S C 0.102 174.654 174.600 -0.079 0.000 1.342 265 S CA 0.136 58.297 58.200 -0.064 0.000 1.005 265 S CB 1.482 64.656 63.200 -0.043 0.000 0.909 265 S HN 0.342 nan 8.310 nan 0.000 0.555 266 K N 0.911 121.267 120.400 -0.073 0.000 2.201 266 K HA 0.373 4.692 4.320 -0.001 0.000 0.278 266 K C -0.746 175.847 176.600 -0.012 0.000 1.027 266 K CA -0.188 56.052 56.287 -0.078 0.000 0.909 266 K CB 0.690 33.140 32.500 -0.083 0.000 1.062 266 K HN 0.767 nan 8.250 nan 0.000 0.465 267 H N 1.641 120.642 119.070 -0.116 0.000 2.551 267 H HA 0.471 5.026 4.556 -0.001 0.000 0.321 267 H C -1.201 174.061 175.328 -0.109 0.000 1.028 267 H CA -0.720 55.274 56.048 -0.090 0.000 1.215 267 H CB 0.628 30.345 29.762 -0.075 0.000 1.414 267 H HN 0.242 nan 8.280 nan 0.000 0.480 268 V N 5.513 125.160 119.914 -0.445 0.000 2.398 268 V HA 0.296 4.415 4.120 -0.001 0.000 0.286 268 V C 0.042 175.777 176.094 -0.598 0.000 1.026 268 V CA -0.683 61.331 62.300 -0.477 0.000 0.868 268 V CB 1.631 33.140 31.823 -0.522 0.000 0.982 268 V HN 0.893 nan 8.190 nan 0.000 0.443 269 T N 5.805 120.081 114.554 -0.464 0.000 2.758 269 T HA 0.598 4.948 4.350 -0.001 0.000 0.285 269 T C -0.321 174.151 174.700 -0.381 0.000 0.981 269 T CA -0.075 61.840 62.100 -0.308 0.000 0.965 269 T CB 0.327 69.120 68.868 -0.126 0.000 0.927 269 T HN 0.275 nan 8.240 nan 0.000 0.448 270 F N 1.136 121.043 119.950 -0.071 0.000 2.380 270 F HA 0.271 4.797 4.527 -0.001 0.000 0.325 270 F C 1.988 177.767 175.800 -0.035 0.000 1.136 270 F CA -0.724 57.247 58.000 -0.049 0.000 1.171 270 F CB 0.567 39.538 39.000 -0.048 0.000 1.230 270 F HN 0.627 nan 8.300 nan 0.000 0.554 271 E N 0.237 120.528 120.200 0.152 0.000 2.171 271 E HA -0.199 4.151 4.350 -0.001 0.000 0.197 271 E C 1.957 178.601 176.600 0.072 0.000 0.997 271 E CA 1.684 58.131 56.400 0.079 0.000 0.810 271 E CB -0.154 29.581 29.700 0.058 0.000 0.738 271 E HN 0.642 nan 8.360 nan 0.000 0.467 272 S N -0.874 114.882 115.700 0.093 0.000 2.561 272 S HA 0.088 4.557 4.470 -0.001 0.000 0.225 272 S C 1.657 176.292 174.600 0.058 0.000 0.977 272 S CA 0.428 58.659 58.200 0.052 0.000 0.926 272 S CB 0.329 63.543 63.200 0.022 0.000 0.769 272 S HN 0.410 nan 8.310 nan 0.000 0.533 273 G N 0.970 109.824 108.800 0.089 0.000 2.179 273 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.260 273 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.260 273 G C 0.067 175.021 174.900 0.091 0.000 0.977 273 G CA 0.217 45.362 45.100 0.075 0.000 0.641 273 G HN 0.552 nan 8.290 nan 0.000 0.533 274 K N 1.106 121.578 120.400 0.120 0.000 2.336 274 K HA 0.454 4.774 4.320 -0.001 0.000 0.262 274 K C 0.838 177.586 176.600 0.247 0.000 0.992 274 K CA 1.061 57.421 56.287 0.122 0.000 0.927 274 K CB 0.373 32.877 32.500 0.008 0.000 0.956 274 K HN 0.466 nan 8.250 nan 0.000 0.495 275 T N -0.715 113.934 114.554 0.159 0.000 2.906 275 T HA 0.664 5.013 4.350 -0.001 0.000 0.295 275 T C -1.157 173.608 174.700 0.108 0.000 1.075 275 T CA -1.038 61.099 62.100 0.063 0.000 1.005 275 T CB 1.437 70.261 68.868 -0.074 0.000 1.136 275 T HN 0.320 nan 8.240 nan 0.000 0.498 276 L N 1.033 122.264 121.223 0.012 0.000 2.526 276 L HA 0.567 4.906 4.340 -0.001 0.000 0.263 276 L C -1.909 174.939 176.870 -0.037 0.000 0.943 276 L CA -0.390 54.485 54.840 0.059 0.000 0.859 276 L CB 2.252 44.442 42.059 0.218 0.000 1.313 276 L HN 0.767 nan 8.230 nan 0.000 0.406 277 D N 3.962 124.376 120.400 0.022 0.000 2.177 277 D HA 0.693 5.332 4.640 -0.001 0.000 0.247 277 D C -0.495 175.801 176.300 -0.007 0.000 1.063 277 D CA 0.157 54.175 54.000 0.031 0.000 0.867 277 D CB 2.266 43.112 40.800 0.076 0.000 1.168 277 D HN 0.464 nan 8.370 nan 0.000 0.445 278 V N -1.181 118.713 119.914 -0.033 0.000 3.159 278 V HA 0.404 4.523 4.120 -0.001 0.000 0.308 278 V C 0.118 176.164 176.094 -0.080 0.000 1.190 278 V CA -0.806 61.457 62.300 -0.062 0.000 1.037 278 V CB 2.468 34.244 31.823 -0.078 0.000 1.060 278 V HN 0.303 nan 8.190 nan 0.000 0.437 279 D N 0.313 120.648 120.400 -0.108 0.000 2.305 279 D HA 0.185 4.825 4.640 -0.001 0.000 0.206 279 D C 0.275 176.490 176.300 -0.143 0.000 0.974 279 D CA 1.220 55.149 54.000 -0.119 0.000 0.871 279 D CB 1.323 42.046 40.800 -0.129 0.000 0.947 279 D HN 0.374 nan 8.370 nan 0.000 0.516 280 V N 1.139 120.943 119.914 -0.183 0.000 2.808 280 V HA 0.231 4.351 4.120 -0.001 0.000 0.308 280 V C -0.529 175.459 176.094 -0.176 0.000 1.099 280 V CA -0.849 61.333 62.300 -0.198 0.000 0.920 280 V CB 3.101 34.738 31.823 -0.310 0.000 1.014 280 V HN -0.270 nan 8.190 nan 0.000 0.425 281 V N 5.259 125.099 119.914 -0.124 0.000 2.350 281 V HA 0.475 4.594 4.120 -0.001 0.000 0.285 281 V C -0.077 175.959 176.094 -0.097 0.000 1.014 281 V CA -0.292 61.949 62.300 -0.098 0.000 0.831 281 V CB 1.524 33.303 31.823 -0.074 0.000 1.000 281 V HN 0.887 nan 8.190 nan 0.000 0.433 282 M N 6.272 125.814 119.600 -0.096 0.000 2.061 282 M HA 0.503 4.983 4.480 -0.001 0.000 0.346 282 M C -0.694 175.557 176.300 -0.082 0.000 1.112 282 M CA -0.474 54.763 55.300 -0.104 0.000 1.021 282 M CB 1.032 33.572 32.600 -0.099 0.000 1.530 282 M HN 0.472 nan 8.290 nan 0.000 0.437 283 M N 3.962 123.508 119.600 -0.089 0.000 2.200 283 M HA 0.321 4.800 4.480 -0.001 0.000 0.355 283 M C 0.013 176.258 176.300 -0.092 0.000 1.283 283 M CA 0.087 55.347 55.300 -0.066 0.000 1.124 283 M CB 0.767 33.334 32.600 -0.055 0.000 1.625 283 M HN 0.797 nan 8.290 nan 0.000 0.463 284 A N 4.358 127.142 122.820 -0.060 0.000 3.415 284 A HA 0.411 4.730 4.320 -0.001 0.000 0.244 284 A C 0.525 178.094 177.584 -0.025 0.000 0.988 284 A CA -0.469 51.519 52.037 -0.082 0.000 0.991 284 A CB -0.470 18.460 19.000 -0.116 0.000 1.240 284 A HN 0.920 nan 8.150 nan 0.000 0.541 285 I N -3.319 117.254 120.570 0.005 0.000 3.793 285 I HA 0.609 4.778 4.170 -0.001 0.000 0.315 285 I C 0.732 176.887 176.117 0.064 0.000 1.275 285 I CA 0.343 61.675 61.300 0.053 0.000 1.214 285 I CB 0.435 38.471 38.000 0.060 0.000 1.018 285 I HN 0.458 nan 8.210 nan 0.000 0.439 286 G N 0.873 109.699 108.800 0.043 0.000 2.339 286 G HA2 0.354 4.314 3.960 -0.001 0.000 0.302 286 G HA3 0.354 4.314 3.960 -0.001 0.000 0.302 286 G C -1.572 173.366 174.900 0.064 0.000 1.425 286 G CA -1.154 43.989 45.100 0.073 0.000 0.899 286 G HN 0.149 nan 8.290 nan 0.000 0.619 287 R N -0.568 119.992 120.500 0.100 0.000 2.686 287 R HA 0.721 5.060 4.340 -0.001 0.000 0.286 287 R C -0.114 176.270 176.300 0.140 0.000 0.969 287 R CA -0.885 55.284 56.100 0.115 0.000 0.898 287 R CB 2.220 32.599 30.300 0.132 0.000 1.183 287 R HN 0.737 nan 8.270 nan 0.000 0.456 288 I N -0.870 119.801 120.570 0.168 0.000 2.740 288 I HA 0.634 4.803 4.170 -0.001 0.000 0.303 288 I C -2.492 173.733 176.117 0.180 0.000 1.044 288 I CA -3.068 58.328 61.300 0.160 0.000 1.064 288 I CB 2.243 40.334 38.000 0.152 0.000 1.249 288 I HN 0.326 nan 8.210 nan 0.000 0.433 289 P HA 0.113 nan 4.420 nan 0.000 0.271 289 P C -0.898 176.487 177.300 0.142 0.000 1.218 289 P CA -0.221 62.962 63.100 0.138 0.000 0.780 289 P CB 0.652 32.414 31.700 0.103 0.000 0.901 290 R N 1.551 122.138 120.500 0.145 0.000 2.870 290 R HA 0.178 4.518 4.340 -0.001 0.000 0.254 290 R C 1.016 177.362 176.300 0.076 0.000 1.392 290 R CA 0.129 56.297 56.100 0.114 0.000 1.322 290 R CB -0.325 30.052 30.300 0.129 0.000 1.205 290 R HN 0.571 nan 8.270 nan 0.000 0.597 291 T N -2.792 111.798 114.554 0.061 0.000 2.959 291 T HA 0.049 4.399 4.350 -0.001 0.000 0.254 291 T C 1.219 175.936 174.700 0.028 0.000 1.003 291 T CA -0.219 61.909 62.100 0.046 0.000 0.950 291 T CB 0.220 69.115 68.868 0.045 0.000 1.090 291 T HN 0.292 nan 8.240 nan 0.000 0.503 292 N N 2.408 121.118 118.700 0.017 0.000 2.149 292 N HA -0.109 4.630 4.740 -0.001 0.000 0.188 292 N C 0.721 176.221 175.510 -0.017 0.000 1.019 292 N CA 1.600 54.647 53.050 -0.004 0.000 0.857 292 N CB -0.138 38.335 38.487 -0.022 0.000 0.997 292 N HN 0.525 nan 8.380 nan 0.000 0.426 293 D N 0.507 120.904 120.400 -0.005 0.000 2.350 293 D HA 0.082 4.721 4.640 -0.001 0.000 0.213 293 D C 1.772 178.089 176.300 0.028 0.000 1.031 293 D CA 0.049 54.046 54.000 -0.006 0.000 0.861 293 D CB 0.161 40.983 40.800 0.037 0.000 0.926 293 D HN 0.243 nan 8.370 nan 0.000 0.520 294 L N 0.412 121.653 121.223 0.030 0.000 2.552 294 L HA -0.036 4.304 4.340 -0.001 0.000 0.227 294 L C 0.187 177.063 176.870 0.010 0.000 1.146 294 L CA 0.240 55.096 54.840 0.027 0.000 0.858 294 L CB -0.218 41.858 42.059 0.029 0.000 0.969 294 L HN -0.154 nan 8.230 nan 0.000 0.451 295 Q N -0.348 119.452 119.800 0.000 0.000 2.463 295 Q HA -0.218 4.121 4.340 -0.001 0.000 0.299 295 Q C 1.001 176.998 176.000 -0.005 0.000 1.353 295 Q CA 0.623 56.422 55.803 -0.008 0.000 0.828 295 Q CB -2.206 26.525 28.738 -0.012 0.000 1.157 295 Q HN 0.509 nan 8.270 nan 0.000 0.436 296 L N -1.659 119.564 121.223 -0.001 0.000 2.265 296 L HA -0.125 4.215 4.340 -0.001 0.000 0.215 296 L C 2.241 179.107 176.870 -0.006 0.000 1.117 296 L CA 1.444 56.283 54.840 -0.002 0.000 0.782 296 L CB -0.329 41.733 42.059 0.004 0.000 0.914 296 L HN 0.518 nan 8.230 nan 0.000 0.441 297 G N -0.023 108.774 108.800 -0.006 0.000 2.448 297 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.219 297 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.219 297 G C 1.342 176.235 174.900 -0.010 0.000 1.127 297 G CA 0.528 45.624 45.100 -0.007 0.000 0.766 297 G HN 0.351 nan 8.290 nan 0.000 0.552 298 N N 0.211 118.904 118.700 -0.012 0.000 2.289 298 N HA -0.100 4.639 4.740 -0.001 0.000 0.184 298 N C 2.139 177.640 175.510 -0.015 0.000 1.016 298 N CA 1.593 54.635 53.050 -0.013 0.000 0.872 298 N CB 0.020 38.499 38.487 -0.014 0.000 0.973 298 N HN 0.458 nan 8.380 nan 0.000 0.433 299 V N -5.382 114.523 119.914 -0.016 0.000 3.556 299 V HA 0.543 4.662 4.120 -0.001 0.000 0.287 299 V C 1.120 177.202 176.094 -0.019 0.000 1.422 299 V CA 0.261 62.548 62.300 -0.021 0.000 1.038 299 V CB 0.088 31.895 31.823 -0.026 0.000 0.850 299 V HN 0.148 nan 8.190 nan 0.000 0.437 300 G N 0.953 109.744 108.800 -0.014 0.000 2.147 300 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.244 300 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.244 300 G C 0.068 174.961 174.900 -0.011 0.000 1.005 300 G CA 0.137 45.230 45.100 -0.011 0.000 0.713 300 G HN 0.818 nan 8.290 nan 0.000 0.515 301 V N 1.310 121.217 119.914 -0.011 0.000 2.485 301 V HA 0.141 4.260 4.120 -0.001 0.000 0.287 301 V C 1.223 177.318 176.094 0.001 0.000 1.022 301 V CA 0.324 62.619 62.300 -0.008 0.000 1.067 301 V CB 0.850 32.667 31.823 -0.009 0.000 0.967 301 V HN 0.357 nan 8.190 nan 0.000 0.479 302 K N 5.448 125.850 120.400 0.004 0.000 2.326 302 K HA 0.440 4.759 4.320 -0.001 0.000 0.275 302 K C -0.509 176.100 176.600 0.015 0.000 1.018 302 K CA -0.299 55.993 56.287 0.009 0.000 0.962 302 K CB 0.840 33.346 32.500 0.009 0.000 0.953 302 K HN 0.495 nan 8.250 nan 0.000 0.475 303 L N 1.790 123.023 121.223 0.016 0.000 2.344 303 L HA 0.261 4.600 4.340 -0.001 0.000 0.272 303 L C 0.984 177.866 176.870 0.020 0.000 1.035 303 L CA -0.860 53.993 54.840 0.021 0.000 0.807 303 L CB 1.584 43.657 42.059 0.023 0.000 1.237 303 L HN 0.777 nan 8.230 nan 0.000 0.442 304 T N -1.818 112.749 114.554 0.022 0.000 2.813 304 T HA 0.149 4.499 4.350 -0.001 0.000 0.297 304 T C -1.750 172.962 174.700 0.020 0.000 1.036 304 T CA -1.292 60.820 62.100 0.019 0.000 1.044 304 T CB 0.652 69.531 68.868 0.020 0.000 0.993 304 T HN 0.375 nan 8.240 nan 0.000 0.535 305 P HA -0.155 nan 4.420 nan 0.000 0.216 305 P C 1.270 178.584 177.300 0.023 0.000 1.154 305 P CA 1.541 64.652 63.100 0.018 0.000 0.865 305 P CB -0.072 31.637 31.700 0.016 0.000 0.789 306 K N -2.209 118.206 120.400 0.026 0.000 2.217 306 K HA 0.147 4.466 4.320 -0.001 0.000 0.202 306 K C 1.585 178.209 176.600 0.040 0.000 1.051 306 K CA 1.341 57.647 56.287 0.033 0.000 0.952 306 K CB -0.524 31.996 32.500 0.033 0.000 0.736 306 K HN 0.214 nan 8.250 nan 0.000 0.453 307 G N 0.676 109.499 108.800 0.038 0.000 2.260 307 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.179 307 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.179 307 G C 0.367 175.296 174.900 0.049 0.000 1.002 307 G CA -0.449 44.677 45.100 0.044 0.000 0.677 307 G HN 0.580 nan 8.290 nan 0.000 0.486 308 G N -0.030 108.798 108.800 0.047 0.000 2.539 308 G HA2 0.563 4.523 3.960 -0.001 0.000 0.258 308 G HA3 0.563 4.523 3.960 -0.001 0.000 0.258 308 G C 0.496 175.422 174.900 0.044 0.000 1.202 308 G CA 0.212 45.343 45.100 0.051 0.000 0.851 308 G HN 0.942 nan 8.290 nan 0.000 0.556 309 V N 1.377 121.320 119.914 0.049 0.000 2.557 309 V HA -0.022 4.098 4.120 -0.001 0.000 0.301 309 V C 0.953 177.070 176.094 0.038 0.000 1.026 309 V CA 0.264 62.589 62.300 0.043 0.000 1.137 309 V CB 0.686 32.539 31.823 0.050 0.000 0.917 309 V HN 0.810 nan 8.190 nan 0.000 0.484 310 Q N 3.685 123.503 119.800 0.030 0.000 2.311 310 Q HA 0.410 4.750 4.340 -0.001 0.000 0.272 310 Q C -0.495 175.526 176.000 0.035 0.000 1.012 310 Q CA -0.166 55.653 55.803 0.027 0.000 0.891 310 Q CB 1.135 29.885 28.738 0.021 0.000 1.201 310 Q HN 0.816 nan 8.270 nan 0.000 0.391 311 V N 0.673 120.607 119.914 0.033 0.000 3.078 311 V HA 0.533 4.652 4.120 -0.001 0.000 0.311 311 V C -0.673 175.446 176.094 0.041 0.000 1.138 311 V CA -1.086 61.245 62.300 0.052 0.000 1.007 311 V CB 1.854 33.718 31.823 0.067 0.000 1.045 311 V HN 0.927 nan 8.190 nan 0.000 0.432 312 D N 0.697 121.140 120.400 0.070 0.000 2.478 312 D HA 0.230 4.869 4.640 -0.001 0.000 0.274 312 D C 0.758 177.073 176.300 0.024 0.000 1.234 312 D CA -0.001 54.038 54.000 0.066 0.000 1.069 312 D CB 0.522 41.395 40.800 0.122 0.000 1.113 312 D HN 0.695 nan 8.370 nan 0.000 0.571 313 E N -1.397 118.784 120.200 -0.031 0.000 2.268 313 E HA -0.073 4.276 4.350 -0.001 0.000 0.195 313 E C 0.945 177.295 176.600 -0.418 0.000 0.995 313 E CA 0.645 56.914 56.400 -0.218 0.000 0.836 313 E CB -0.336 29.158 29.700 -0.344 0.000 0.763 313 E HN 0.392 nan 8.360 nan 0.000 0.491 314 F N 0.244 120.226 119.950 0.053 0.000 2.664 314 F HA 0.142 4.668 4.527 -0.001 0.000 0.301 314 F C 0.750 176.584 175.800 0.057 0.000 1.126 314 F CA 0.008 58.031 58.000 0.038 0.000 1.373 314 F CB 0.177 39.186 39.000 0.016 0.000 1.042 314 F HN -0.228 nan 8.300 nan 0.000 0.535 315 S N -0.434 115.351 115.700 0.142 0.000 3.382 315 S HA -0.245 4.224 4.470 -0.001 0.000 0.293 315 S C 0.425 175.183 174.600 0.263 0.000 1.262 315 S CA 0.344 58.644 58.200 0.166 0.000 0.969 315 S CB -1.482 61.804 63.200 0.143 0.000 1.136 315 S HN 0.487 nan 8.310 nan 0.000 0.635 316 R N 2.186 122.847 120.500 0.268 0.000 2.297 316 R HA 0.452 4.792 4.340 -0.001 0.000 0.308 316 R C 1.096 177.478 176.300 0.137 0.000 1.029 316 R CA 0.209 56.473 56.100 0.273 0.000 0.929 316 R CB 0.671 31.126 30.300 0.258 0.000 1.046 316 R HN 0.472 nan 8.270 nan 0.000 0.461 317 T N -1.275 113.321 114.554 0.070 0.000 2.729 317 T HA -0.016 4.334 4.350 -0.001 0.000 0.298 317 T C 1.151 175.859 174.700 0.012 0.000 1.013 317 T CA -0.252 61.863 62.100 0.026 0.000 0.957 317 T CB 0.456 69.318 68.868 -0.011 0.000 1.130 317 T HN 0.771 nan 8.240 nan 0.000 0.526 318 N N -0.915 117.788 118.700 0.004 0.000 2.459 318 N HA 0.006 4.746 4.740 -0.001 0.000 0.181 318 N C -0.049 175.450 175.510 -0.019 0.000 1.046 318 N CA 0.002 53.052 53.050 0.000 0.000 0.904 318 N CB -0.134 38.354 38.487 0.002 0.000 0.964 318 N HN 0.327 nan 8.380 nan 0.000 0.444 319 V N 2.180 122.069 119.914 -0.042 0.000 2.348 319 V HA 0.187 4.306 4.120 -0.001 0.000 0.270 319 V C -1.193 174.839 176.094 -0.103 0.000 1.037 319 V CA -1.541 60.720 62.300 -0.065 0.000 0.872 319 V CB 1.232 33.012 31.823 -0.072 0.000 1.002 319 V HN 0.062 nan 8.190 nan 0.000 0.464 320 P HA -0.184 nan 4.420 nan 0.000 0.218 320 P C 0.763 177.979 177.300 -0.139 0.000 1.152 320 P CA 1.559 64.620 63.100 -0.066 0.000 0.857 320 P CB 0.091 31.770 31.700 -0.036 0.000 0.787 321 N N -0.955 117.614 118.700 -0.219 0.000 2.273 321 N HA 0.099 4.839 4.740 -0.001 0.000 0.231 321 N C -0.097 175.019 175.510 -0.657 0.000 1.134 321 N CA -0.155 52.697 53.050 -0.329 0.000 0.856 321 N CB -0.035 38.308 38.487 -0.240 0.000 1.068 321 N HN 0.206 nan 8.380 nan 0.000 0.510 322 I N 1.373 121.512 120.570 -0.718 0.000 2.418 322 I HA 0.341 4.510 4.170 -0.001 0.000 0.287 322 I C -1.003 174.734 176.117 -0.633 0.000 1.008 322 I CA -0.937 60.020 61.300 -0.572 0.000 1.104 322 I CB 0.857 38.725 38.000 -0.221 0.000 1.264 322 I HN -0.122 nan 8.210 nan 0.000 0.438 323 Y N 4.409 124.752 120.300 0.072 0.000 2.587 323 Y HA 0.841 5.391 4.550 -0.001 0.000 0.337 323 Y C 0.177 176.118 175.900 0.067 0.000 1.065 323 Y CA -1.222 56.919 58.100 0.069 0.000 1.126 323 Y CB 1.678 40.181 38.460 0.071 0.000 1.279 323 Y HN 0.517 nan 8.280 nan 0.000 0.489 324 A N 2.294 125.251 122.820 0.228 0.000 2.422 324 A HA 0.871 5.190 4.320 -0.001 0.000 0.302 324 A C -1.096 176.575 177.584 0.146 0.000 1.041 324 A CA -0.659 51.471 52.037 0.155 0.000 0.708 324 A CB 0.921 19.985 19.000 0.106 0.000 1.257 324 A HN 0.798 nan 8.150 nan 0.000 0.414 325 I N -0.909 119.739 120.570 0.131 0.000 3.074 325 I HA 0.951 5.121 4.170 -0.001 0.000 0.310 325 I C 0.441 176.625 176.117 0.112 0.000 1.153 325 I CA -0.316 61.054 61.300 0.118 0.000 0.993 325 I CB 2.046 40.113 38.000 0.111 0.000 1.237 325 I HN 1.889 nan 8.210 nan 0.000 0.443 326 G N 2.913 111.779 108.800 0.111 0.000 2.632 326 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.224 326 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.224 326 G C -0.117 174.850 174.900 0.112 0.000 1.341 326 G CA 0.441 45.607 45.100 0.111 0.000 0.880 326 G HN 0.824 nan 8.290 nan 0.000 0.566 327 D N -0.286 120.187 120.400 0.121 0.000 2.310 327 D HA -0.016 4.623 4.640 -0.001 0.000 0.212 327 D C 2.261 178.633 176.300 0.119 0.000 0.965 327 D CA 0.876 54.951 54.000 0.126 0.000 0.879 327 D CB -0.002 40.887 40.800 0.149 0.000 0.921 327 D HN 0.448 nan 8.370 nan 0.000 0.510 328 I N 1.028 121.666 120.570 0.114 0.000 2.756 328 I HA -0.194 3.975 4.170 -0.001 0.000 0.262 328 I C 1.679 177.847 176.117 0.086 0.000 1.225 328 I CA 1.127 62.488 61.300 0.102 0.000 1.472 328 I CB 0.021 38.079 38.000 0.096 0.000 1.094 328 I HN 0.020 nan 8.210 nan 0.000 0.454 329 T N -3.140 111.463 114.554 0.082 0.000 3.148 329 T HA -0.031 4.318 4.350 -0.001 0.000 0.253 329 T C 0.840 175.571 174.700 0.052 0.000 1.134 329 T CA 0.403 62.540 62.100 0.062 0.000 1.051 329 T CB -0.309 68.592 68.868 0.055 0.000 0.959 329 T HN 0.389 nan 8.240 nan 0.000 0.525 330 D N 0.671 121.112 120.400 0.069 0.000 2.697 330 D HA -0.161 4.478 4.640 -0.001 0.000 0.238 330 D C 0.401 176.729 176.300 0.047 0.000 1.152 330 D CA 0.702 54.742 54.000 0.067 0.000 0.666 330 D CB -0.948 39.891 40.800 0.064 0.000 1.037 330 D HN 0.701 nan 8.370 nan 0.000 0.423 331 R N -0.571 119.956 120.500 0.045 0.000 2.548 331 R HA 0.515 4.854 4.340 -0.001 0.000 0.107 331 R C -0.069 176.260 176.300 0.048 0.000 1.296 331 R CA -0.590 55.522 56.100 0.020 0.000 1.097 331 R CB 0.194 30.474 30.300 -0.032 0.000 0.937 331 R HN 0.100 nan 8.270 nan 0.000 0.400 332 L N 3.205 124.468 121.223 0.067 0.000 2.315 332 L HA 0.349 4.688 4.340 -0.001 0.000 0.283 332 L C -0.151 176.767 176.870 0.079 0.000 1.089 332 L CA 0.160 55.041 54.840 0.069 0.000 0.833 332 L CB 1.152 43.259 42.059 0.080 0.000 1.170 332 L HN 0.472 nan 8.230 nan 0.000 0.442 333 M N 6.530 126.176 119.600 0.076 0.000 2.852 333 M HA 0.407 4.886 4.480 -0.001 0.000 0.321 333 M C -0.991 175.355 176.300 0.077 0.000 1.337 333 M CA 0.113 55.476 55.300 0.105 0.000 1.406 333 M CB 0.102 32.795 32.600 0.155 0.000 1.152 333 M HN 0.475 nan 8.290 nan 0.000 0.508 334 L N 0.033 121.294 121.223 0.063 0.000 2.431 334 L HA 0.402 4.741 4.340 -0.001 0.000 0.266 334 L C 1.087 177.993 176.870 0.060 0.000 0.978 334 L CA -0.519 54.345 54.840 0.039 0.000 0.822 334 L CB 2.305 44.367 42.059 0.004 0.000 1.310 334 L HN 0.302 nan 8.230 nan 0.000 0.409 335 T N 1.371 115.964 114.554 0.066 0.000 2.684 335 T HA -0.075 4.274 4.350 -0.001 0.000 0.267 335 T C -1.109 173.620 174.700 0.049 0.000 1.036 335 T CA 1.865 64.006 62.100 0.068 0.000 1.148 335 T CB -0.412 68.499 68.868 0.072 0.000 0.863 335 T HN 0.456 nan 8.240 nan 0.000 0.436 336 P HA 0.092 nan 4.420 nan 0.000 0.225 336 P C 1.432 178.737 177.300 0.008 0.000 1.156 336 P CA 0.311 63.423 63.100 0.020 0.000 0.787 336 P CB -0.031 31.677 31.700 0.014 0.000 0.802 337 V N 0.458 120.379 119.914 0.011 0.000 2.307 337 V HA -0.242 3.877 4.120 -0.001 0.000 0.245 337 V C 2.453 178.561 176.094 0.024 0.000 1.045 337 V CA 2.289 64.589 62.300 -0.000 0.000 1.024 337 V CB -1.664 30.173 31.823 0.023 0.000 0.651 337 V HN 0.099 nan 8.190 nan 0.000 0.449 338 A N -0.120 122.732 122.820 0.053 0.000 1.908 338 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 338 A C 2.195 179.813 177.584 0.057 0.000 1.181 338 A CA 2.089 54.167 52.037 0.070 0.000 0.627 338 A CB -0.566 18.485 19.000 0.084 0.000 0.818 338 A HN 0.515 nan 8.150 nan 0.000 0.445 339 I N -0.360 120.236 120.570 0.043 0.000 2.202 339 I HA -0.235 3.935 4.170 -0.001 0.000 0.242 339 I C 2.550 178.684 176.117 0.028 0.000 1.091 339 I CA 1.346 62.667 61.300 0.036 0.000 1.368 339 I CB -0.432 37.582 38.000 0.024 0.000 1.058 339 I HN 0.477 nan 8.210 nan 0.000 0.410 340 N N 1.131 119.836 118.700 0.008 0.000 2.104 340 N HA -0.229 4.511 4.740 -0.001 0.000 0.190 340 N C 1.726 177.233 175.510 -0.005 0.000 1.024 340 N CA 1.633 54.677 53.050 -0.009 0.000 0.853 340 N CB 0.028 38.486 38.487 -0.048 0.000 1.008 340 N HN 0.417 nan 8.380 nan 0.000 0.424 341 E N -0.379 119.821 120.200 -0.000 0.000 2.085 341 E HA -0.133 4.217 4.350 -0.001 0.000 0.194 341 E C 1.974 178.597 176.600 0.039 0.000 0.994 341 E CA 1.069 57.483 56.400 0.022 0.000 0.801 341 E CB -0.322 29.413 29.700 0.059 0.000 0.743 341 E HN 0.473 nan 8.360 nan 0.000 0.453 342 G N 1.225 110.057 108.800 0.053 0.000 2.421 342 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.216 342 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.216 342 G C 1.707 176.648 174.900 0.069 0.000 1.171 342 G CA 0.943 46.082 45.100 0.066 0.000 0.775 342 G HN 0.355 nan 8.290 nan 0.000 0.543 343 A N 1.147 124.008 122.820 0.068 0.000 1.908 343 A HA 0.227 4.546 4.320 -0.001 0.000 0.218 343 A C 2.804 180.434 177.584 0.077 0.000 1.181 343 A CA 2.441 54.529 52.037 0.084 0.000 0.627 343 A CB -0.794 18.246 19.000 0.067 0.000 0.818 343 A HN 0.822 nan 8.150 nan 0.000 0.445 344 A N -0.722 122.126 122.820 0.047 0.000 1.929 344 A HA 0.070 4.389 4.320 -0.001 0.000 0.216 344 A C 2.111 179.712 177.584 0.029 0.000 1.176 344 A CA 1.541 53.603 52.037 0.043 0.000 0.628 344 A CB -0.570 18.442 19.000 0.019 0.000 0.816 344 A HN 0.708 nan 8.150 nan 0.000 0.444 345 L N -0.005 121.217 121.223 -0.002 0.000 2.012 345 L HA -0.126 4.213 4.340 -0.001 0.000 0.210 345 L C 2.310 179.082 176.870 -0.163 0.000 1.073 345 L CA 2.124 56.904 54.840 -0.100 0.000 0.748 345 L CB -0.544 41.431 42.059 -0.140 0.000 0.891 345 L HN 0.134 nan 8.230 nan 0.000 0.431 346 V N -0.099 119.792 119.914 -0.039 0.000 2.515 346 V HA -0.229 3.891 4.120 -0.001 0.000 0.250 346 V C 2.239 178.353 176.094 0.032 0.000 1.058 346 V CA 1.698 64.028 62.300 0.050 0.000 1.064 346 V CB -0.828 31.145 31.823 0.250 0.000 0.675 346 V HN 0.464 nan 8.190 nan 0.000 0.461 347 D N 0.087 120.537 120.400 0.083 0.000 2.104 347 D HA -0.143 4.496 4.640 -0.001 0.000 0.194 347 D C 2.293 178.524 176.300 -0.115 0.000 0.994 347 D CA 1.949 55.973 54.000 0.039 0.000 0.830 347 D CB -0.417 40.449 40.800 0.111 0.000 0.959 347 D HN 0.385 nan 8.370 nan 0.000 0.452 348 T N 0.341 114.832 114.554 -0.104 0.000 2.708 348 T HA -0.076 4.274 4.350 -0.001 0.000 0.266 348 T C 2.226 176.755 174.700 -0.285 0.000 1.037 348 T CA 0.877 62.890 62.100 -0.145 0.000 1.146 348 T CB -0.284 68.551 68.868 -0.055 0.000 0.865 348 T HN -0.029 nan 8.240 nan 0.000 0.435 349 V N -0.078 119.566 119.914 -0.451 0.000 2.407 349 V HA 0.046 4.165 4.120 -0.001 0.000 0.245 349 V C 1.735 177.378 176.094 -0.752 0.000 1.041 349 V CA 1.422 63.295 62.300 -0.712 0.000 1.040 349 V CB -0.418 30.717 31.823 -1.146 0.000 0.671 349 V HN 0.382 nan 8.190 nan 0.000 0.455 350 F N -0.248 119.471 119.950 -0.385 0.000 2.752 350 F HA 0.505 5.031 4.527 -0.001 0.000 0.310 350 F C 1.396 176.712 175.800 -0.807 0.000 1.097 350 F CA -0.188 57.532 58.000 -0.466 0.000 1.238 350 F CB -0.472 38.295 39.000 -0.389 0.000 1.061 350 F HN 0.122 nan 8.300 nan 0.000 0.591 351 G N -0.430 107.878 108.800 -0.820 0.000 2.531 351 G HA2 0.207 4.166 3.960 -0.001 0.000 0.313 351 G HA3 0.207 4.166 3.960 -0.001 0.000 0.313 351 G C -0.238 174.491 174.900 -0.284 0.000 1.238 351 G CA -0.618 43.998 45.100 -0.806 0.000 0.994 351 G HN 0.085 nan 8.290 nan 0.000 0.493 352 N N 0.302 118.926 118.700 -0.127 0.000 3.228 352 N HA 0.216 4.956 4.740 -0.001 0.000 0.289 352 N C -0.568 174.913 175.510 -0.048 0.000 1.419 352 N CA 0.062 53.064 53.050 -0.081 0.000 1.088 352 N CB 0.559 39.022 38.487 -0.040 0.000 1.357 352 N HN 0.319 nan 8.380 nan 0.000 0.504 353 K N 1.386 121.749 120.400 -0.061 0.000 3.481 353 K HA 0.202 4.521 4.320 -0.001 0.000 0.166 353 K C -2.809 173.794 176.600 0.005 0.000 1.032 353 K CA -1.128 55.154 56.287 -0.009 0.000 0.776 353 K CB 0.958 33.478 32.500 0.032 0.000 0.797 353 K HN 0.099 nan 8.250 nan 0.000 0.516 354 P HA 0.011 nan 4.420 nan 0.000 0.265 354 P C -1.016 176.380 177.300 0.161 0.000 1.193 354 P CA 0.111 63.226 63.100 0.025 0.000 0.765 354 P CB 0.621 32.274 31.700 -0.078 0.000 0.823 355 R N 1.689 122.363 120.500 0.291 0.000 2.560 355 R HA 0.204 4.543 4.340 -0.001 0.000 0.267 355 R C -0.823 175.568 176.300 0.153 0.000 1.150 355 R CA -0.697 55.519 56.100 0.193 0.000 0.997 355 R CB 1.459 31.818 30.300 0.097 0.000 1.250 355 R HN 0.482 nan 8.270 nan 0.000 0.433 356 K N 1.763 122.146 120.400 -0.029 0.000 2.164 356 K HA 0.433 4.753 4.320 -0.001 0.000 0.258 356 K C -0.540 175.974 176.600 -0.144 0.000 0.951 356 K CA -0.805 55.325 56.287 -0.261 0.000 0.844 356 K CB 1.959 34.113 32.500 -0.577 0.000 1.099 356 K HN 0.194 nan 8.250 nan 0.000 0.435 357 T N 1.930 116.398 114.554 -0.144 0.000 2.928 357 T HA -0.056 4.293 4.350 -0.001 0.000 0.305 357 T C -0.371 174.184 174.700 -0.242 0.000 1.035 357 T CA 0.240 62.215 62.100 -0.209 0.000 1.145 357 T CB 0.328 69.014 68.868 -0.303 0.000 0.963 357 T HN 0.569 nan 8.240 nan 0.000 0.545 358 D N 1.082 121.351 120.400 -0.220 0.000 2.347 358 D HA 0.059 4.699 4.640 -0.001 0.000 0.235 358 D C 0.898 177.055 176.300 -0.239 0.000 1.149 358 D CA -0.306 53.608 54.000 -0.144 0.000 0.850 358 D CB 0.380 41.137 40.800 -0.072 0.000 1.061 358 D HN 0.549 nan 8.370 nan 0.000 0.487 359 H N 2.069 121.122 119.070 -0.028 0.000 2.539 359 H HA 0.062 4.617 4.556 -0.001 0.000 0.267 359 H C 0.627 175.945 175.328 -0.016 0.000 0.982 359 H CA 0.419 56.454 56.048 -0.021 0.000 1.146 359 H CB 0.290 30.038 29.762 -0.023 0.000 1.382 359 H HN 0.412 nan 8.280 nan 0.000 0.577 360 T N -1.875 112.711 114.554 0.053 0.000 2.934 360 T HA 0.341 4.690 4.350 -0.001 0.000 0.283 360 T C 0.587 175.294 174.700 0.012 0.000 1.005 360 T CA -0.854 61.270 62.100 0.040 0.000 1.041 360 T CB 1.925 70.821 68.868 0.046 0.000 1.042 360 T HN 0.268 nan 8.240 nan 0.000 0.505 361 R N -0.686 119.821 120.500 0.012 0.000 3.516 361 R HA -0.097 4.243 4.340 -0.001 0.000 0.271 361 R C -0.565 175.729 176.300 -0.010 0.000 1.098 361 R CA 0.372 56.473 56.100 0.001 0.000 0.732 361 R CB -2.500 27.804 30.300 0.008 0.000 1.152 361 R HN 0.543 nan 8.270 nan 0.000 0.455 362 V N 1.190 121.095 119.914 -0.015 0.000 2.408 362 V HA 0.431 4.551 4.120 -0.001 0.000 0.267 362 V C 1.115 177.196 176.094 -0.023 0.000 1.047 362 V CA -0.011 62.276 62.300 -0.022 0.000 0.937 362 V CB 1.328 33.137 31.823 -0.023 0.000 0.999 362 V HN 0.395 nan 8.190 nan 0.000 0.472 363 A N 5.227 128.038 122.820 -0.017 0.000 2.440 363 A HA 0.667 4.986 4.320 -0.001 0.000 0.251 363 A C 0.560 178.137 177.584 -0.011 0.000 1.089 363 A CA 0.297 52.326 52.037 -0.013 0.000 0.779 363 A CB 0.270 19.268 19.000 -0.003 0.000 1.022 363 A HN 1.148 nan 8.150 nan 0.000 0.492 364 S N 0.280 115.974 115.700 -0.009 0.000 2.705 364 S HA 0.909 5.378 4.470 -0.001 0.000 0.280 364 S C -0.534 174.064 174.600 -0.004 0.000 1.174 364 S CA -0.178 58.018 58.200 -0.006 0.000 0.823 364 S CB 1.464 64.649 63.200 -0.026 0.000 1.162 364 S HN 2.250 nan 8.310 nan 0.000 0.487 365 A N 0.034 122.833 122.820 -0.035 0.000 2.515 365 A HA 0.843 5.162 4.320 -0.001 0.000 0.296 365 A C -1.467 176.006 177.584 -0.185 0.000 1.094 365 A CA -0.829 51.101 52.037 -0.178 0.000 0.718 365 A CB 1.705 20.465 19.000 -0.399 0.000 1.307 365 A HN 1.240 nan 8.150 nan 0.000 0.408 366 V N 0.930 120.655 119.914 -0.316 0.000 2.483 366 V HA 0.351 4.470 4.120 -0.001 0.000 0.297 366 V C -0.995 174.900 176.094 -0.332 0.000 1.027 366 V CA -0.099 62.076 62.300 -0.207 0.000 0.855 366 V CB 1.212 32.868 31.823 -0.278 0.000 0.995 366 V HN 0.759 nan 8.190 nan 0.000 0.424 367 F N 3.057 123.007 119.950 0.001 0.000 2.833 367 F HA 0.189 4.716 4.527 -0.001 0.000 0.327 367 F C 1.564 177.327 175.800 -0.061 0.000 1.184 367 F CA -0.241 57.740 58.000 -0.031 0.000 1.328 367 F CB -0.152 38.834 39.000 -0.024 0.000 1.440 367 F HN 0.569 nan 8.300 nan 0.000 0.569 368 S N -0.091 115.604 115.700 -0.007 0.000 2.596 368 S HA 0.438 4.907 4.470 -0.001 0.000 0.260 368 S C -0.101 174.480 174.600 -0.032 0.000 1.336 368 S CA -0.653 57.523 58.200 -0.040 0.000 0.993 368 S CB 1.180 64.319 63.200 -0.102 0.000 0.923 368 S HN 0.278 nan 8.310 nan 0.000 0.567 369 I N 2.095 122.644 120.570 -0.036 0.000 2.359 369 I HA 0.332 4.502 4.170 -0.001 0.000 0.284 369 I C -2.349 173.746 176.117 -0.037 0.000 1.018 369 I CA -2.247 59.031 61.300 -0.036 0.000 1.173 369 I CB 1.245 39.226 38.000 -0.031 0.000 1.326 369 I HN 0.446 nan 8.210 nan 0.000 0.462 370 P HA 0.209 nan 4.420 nan 0.000 0.273 370 P C -2.525 174.709 177.300 -0.111 0.000 1.250 370 P CA -0.960 62.093 63.100 -0.079 0.000 0.793 370 P CB -0.046 31.595 31.700 -0.098 0.000 1.011 371 P HA 0.334 nan 4.420 nan 0.000 0.281 371 P C -0.650 176.498 177.300 -0.252 0.000 1.264 371 P CA -0.230 62.742 63.100 -0.215 0.000 0.824 371 P CB 0.920 32.448 31.700 -0.287 0.000 1.092 372 I N 0.148 120.548 120.570 -0.283 0.000 2.392 372 I HA 0.525 4.695 4.170 -0.001 0.000 0.295 372 I C 0.904 176.900 176.117 -0.201 0.000 0.985 372 I CA -0.327 60.839 61.300 -0.222 0.000 1.221 372 I CB 1.549 39.422 38.000 -0.211 0.000 1.366 372 I HN 0.347 nan 8.210 nan 0.000 0.467 373 G N 2.701 111.431 108.800 -0.116 0.000 2.530 373 G HA2 0.595 4.554 3.960 -0.001 0.000 0.316 373 G HA3 0.595 4.554 3.960 -0.001 0.000 0.316 373 G C -1.050 173.856 174.900 0.011 0.000 1.298 373 G CA -0.309 44.754 45.100 -0.062 0.000 0.948 373 G HN 0.491 nan 8.290 nan 0.000 0.486 374 T N -0.577 114.000 114.554 0.038 0.000 2.900 374 T HA 0.556 4.906 4.350 -0.001 0.000 0.303 374 T C -1.436 173.250 174.700 -0.024 0.000 1.142 374 T CA -0.534 61.594 62.100 0.047 0.000 1.007 374 T CB 1.599 70.589 68.868 0.204 0.000 1.156 374 T HN 1.087 nan 8.240 nan 0.000 0.490 375 C N 3.526 122.762 119.300 -0.106 0.000 2.705 375 C HA 0.839 5.299 4.460 -0.001 0.000 0.369 375 C C 0.649 175.571 174.990 -0.113 0.000 1.069 375 C CA 1.076 60.044 59.018 -0.084 0.000 1.260 375 C CB -0.298 27.409 27.740 -0.054 0.000 1.764 375 C HN 1.702 nan 8.230 nan 0.000 0.469 376 G N 4.719 113.494 108.800 -0.042 0.000 2.545 376 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.216 376 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.216 376 G C -1.004 173.935 174.900 0.066 0.000 1.314 376 G CA -0.327 44.768 45.100 -0.009 0.000 0.906 376 G HN 1.158 nan 8.290 nan 0.000 0.563 377 L N 1.225 122.499 121.223 0.085 0.000 2.349 377 L HA 0.550 4.889 4.340 -0.001 0.000 0.275 377 L C 1.500 178.496 176.870 0.209 0.000 1.115 377 L CA -0.776 54.132 54.840 0.114 0.000 0.820 377 L CB 0.906 43.021 42.059 0.094 0.000 1.135 377 L HN 0.709 nan 8.230 nan 0.000 0.445 378 I N -0.746 119.859 120.570 0.058 0.000 2.779 378 I HA 0.079 4.249 4.170 -0.001 0.000 0.285 378 I C 1.389 177.477 176.117 -0.049 0.000 1.134 378 I CA -0.522 60.713 61.300 -0.109 0.000 1.398 378 I CB 0.711 38.574 38.000 -0.228 0.000 1.404 378 I HN 0.846 nan 8.210 nan 0.000 0.587 379 E N 3.439 123.598 120.200 -0.068 0.000 2.085 379 E HA -0.276 4.073 4.350 -0.001 0.000 0.194 379 E C 1.389 177.817 176.600 -0.286 0.000 0.994 379 E CA 1.623 57.960 56.400 -0.105 0.000 0.801 379 E CB -0.416 29.286 29.700 0.004 0.000 0.743 379 E HN 0.859 nan 8.360 nan 0.000 0.453 380 E N 1.771 121.823 120.200 -0.246 0.000 2.106 380 E HA -0.138 4.212 4.350 -0.001 0.000 0.192 380 E C 2.353 178.863 176.600 -0.149 0.000 0.984 380 E CA 1.307 57.553 56.400 -0.257 0.000 0.806 380 E CB -0.572 29.051 29.700 -0.129 0.000 0.750 380 E HN 0.298 nan 8.360 nan 0.000 0.458 381 V N 2.110 121.973 119.914 -0.085 0.000 2.358 381 V HA -0.181 3.938 4.120 -0.001 0.000 0.246 381 V C 2.735 178.837 176.094 0.014 0.000 1.047 381 V CA 1.807 64.088 62.300 -0.032 0.000 1.035 381 V CB -0.861 30.956 31.823 -0.011 0.000 0.658 381 V HN 0.429 nan 8.190 nan 0.000 0.452 382 A N 0.064 122.902 122.820 0.030 0.000 1.972 382 A HA -0.054 4.265 4.320 -0.001 0.000 0.219 382 A C 2.333 180.025 177.584 0.179 0.000 1.169 382 A CA 1.832 53.969 52.037 0.166 0.000 0.635 382 A CB -0.606 18.456 19.000 0.102 0.000 0.810 382 A HN 0.570 nan 8.150 nan 0.000 0.446 383 A N -0.654 122.150 122.820 -0.026 0.000 2.119 383 A HA -0.012 4.307 4.320 -0.001 0.000 0.217 383 A C 1.950 179.547 177.584 0.022 0.000 1.153 383 A CA 1.343 53.355 52.037 -0.040 0.000 0.692 383 A CB -0.246 18.533 19.000 -0.369 0.000 0.799 383 A HN 0.511 nan 8.150 nan 0.000 0.458 384 K N -0.573 119.827 120.400 -0.000 0.000 2.400 384 K HA 0.043 4.362 4.320 -0.001 0.000 0.194 384 K C 1.068 177.648 176.600 -0.034 0.000 1.033 384 K CA 0.774 57.057 56.287 -0.007 0.000 1.021 384 K CB 0.187 32.675 32.500 -0.020 0.000 0.808 384 K HN 0.584 nan 8.250 nan 0.000 0.505 385 E N -0.647 119.526 120.200 -0.045 0.000 2.389 385 E HA 0.099 4.448 4.350 -0.001 0.000 0.199 385 E C -0.493 175.833 176.600 -0.458 0.000 0.978 385 E CA 0.204 56.441 56.400 -0.272 0.000 0.912 385 E CB 0.504 29.954 29.700 -0.416 0.000 0.907 385 E HN -0.001 nan 8.360 nan 0.000 0.494 386 F N 0.359 120.326 119.950 0.029 0.000 2.547 386 F HA 0.192 4.719 4.527 -0.001 0.000 0.316 386 F C 1.179 177.017 175.800 0.063 0.000 1.121 386 F CA -0.878 57.150 58.000 0.048 0.000 0.911 386 F CB 1.921 40.956 39.000 0.058 0.000 1.179 386 F HN -0.210 nan 8.300 nan 0.000 0.443 387 E N 2.141 122.478 120.200 0.228 0.000 2.058 387 E HA -0.122 4.228 4.350 -0.001 0.000 0.194 387 E C -0.243 176.478 176.600 0.201 0.000 0.997 387 E CA 1.517 58.019 56.400 0.170 0.000 0.801 387 E CB 0.276 30.052 29.700 0.128 0.000 0.746 387 E HN 0.462 nan 8.360 nan 0.000 0.450 388 K N 0.456 120.999 120.400 0.237 0.000 2.413 388 K HA 0.395 4.714 4.320 -0.001 0.000 0.257 388 K C -1.567 175.195 176.600 0.271 0.000 0.946 388 K CA -0.638 55.800 56.287 0.250 0.000 0.823 388 K CB 2.740 35.392 32.500 0.253 0.000 1.109 388 K HN -0.120 nan 8.250 nan 0.000 0.427 389 V N 1.979 122.061 119.914 0.279 0.000 2.555 389 V HA 0.644 4.764 4.120 -0.001 0.000 0.302 389 V C -0.480 175.706 176.094 0.153 0.000 1.038 389 V CA -0.800 61.627 62.300 0.211 0.000 0.887 389 V CB 1.692 33.647 31.823 0.219 0.000 0.991 389 V HN 0.907 nan 8.190 nan 0.000 0.434 390 A N 4.096 126.918 122.820 0.003 0.000 2.355 390 A HA 0.895 5.214 4.320 -0.001 0.000 0.324 390 A C -1.018 176.337 177.584 -0.381 0.000 1.117 390 A CA -0.582 51.215 52.037 -0.401 0.000 0.785 390 A CB 1.794 20.479 19.000 -0.526 0.000 1.254 390 A HN 0.662 nan 8.150 nan 0.000 0.453 391 V N 2.501 121.991 119.914 -0.707 0.000 2.407 391 V HA 0.333 4.452 4.120 -0.001 0.000 0.291 391 V C -1.396 174.257 176.094 -0.736 0.000 1.018 391 V CA -0.305 61.628 62.300 -0.612 0.000 0.842 391 V CB 0.734 32.034 31.823 -0.871 0.000 0.996 391 V HN 0.764 nan 8.190 nan 0.000 0.426 392 Y N 4.955 125.075 120.300 -0.299 0.000 2.328 392 Y HA 0.706 5.255 4.550 -0.001 0.000 0.337 392 Y C 0.204 176.031 175.900 -0.122 0.000 1.008 392 Y CA -0.458 57.522 58.100 -0.200 0.000 1.129 392 Y CB 1.718 40.095 38.460 -0.139 0.000 1.185 392 Y HN 0.586 nan 8.280 nan 0.000 0.476 393 M N 3.589 123.219 119.600 0.050 0.000 2.326 393 M HA 0.528 5.007 4.480 -0.001 0.000 0.292 393 M C -1.382 175.000 176.300 0.137 0.000 1.081 393 M CA -0.389 54.964 55.300 0.089 0.000 0.919 393 M CB 1.593 34.243 32.600 0.084 0.000 1.634 393 M HN 0.566 nan 8.290 nan 0.000 0.451 394 S N 3.348 119.161 115.700 0.189 0.000 2.647 394 S HA 0.728 5.198 4.470 -0.001 0.000 0.300 394 S C -1.497 173.315 174.600 0.352 0.000 1.129 394 S CA -0.433 57.923 58.200 0.260 0.000 1.029 394 S CB 1.795 65.147 63.200 0.253 0.000 1.007 394 S HN 0.789 nan 8.310 nan 0.000 0.484 395 S N 4.108 120.012 115.700 0.341 0.000 2.536 395 S HA 0.933 5.403 4.470 -0.001 0.000 0.287 395 S C -1.420 173.377 174.600 0.328 0.000 1.101 395 S CA -0.665 57.681 58.200 0.243 0.000 0.950 395 S CB 0.700 63.974 63.200 0.124 0.000 1.056 395 S HN 1.385 nan 8.310 nan 0.000 0.481 396 F N -0.368 119.660 119.950 0.131 0.000 2.686 396 F HA 0.363 4.889 4.527 -0.001 0.000 0.315 396 F C -0.734 175.143 175.800 0.127 0.000 1.088 396 F CA -0.902 57.163 58.000 0.109 0.000 1.034 396 F CB 0.156 39.213 39.000 0.094 0.000 1.280 396 F HN 0.315 nan 8.300 nan 0.000 0.463 397 T N 5.085 119.669 114.554 0.049 0.000 2.765 397 T HA 0.266 4.616 4.350 -0.001 0.000 0.284 397 T C -2.323 172.508 174.700 0.219 0.000 0.946 397 T CA -0.343 61.783 62.100 0.044 0.000 1.185 397 T CB -0.072 68.840 68.868 0.073 0.000 0.887 397 T HN 0.377 nan 8.240 nan 0.000 0.532 398 P HA 0.058 nan 4.420 nan 0.000 0.269 398 P C 1.043 178.485 177.300 0.237 0.000 1.217 398 P CA -0.534 62.801 63.100 0.391 0.000 0.783 398 P CB 0.576 32.448 31.700 0.286 0.000 0.898 399 L N 3.072 124.408 121.223 0.189 0.000 2.042 399 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 399 L C 2.473 179.393 176.870 0.083 0.000 1.076 399 L CA 1.944 56.852 54.840 0.113 0.000 0.749 399 L CB -1.154 40.954 42.059 0.082 0.000 0.893 399 L HN 0.447 nan 8.230 nan 0.000 0.432 400 M N -1.710 117.925 119.600 0.059 0.000 2.143 400 M HA -0.284 4.195 4.480 -0.001 0.000 0.258 400 M C 1.710 178.021 176.300 0.019 0.000 1.071 400 M CA 2.117 57.459 55.300 0.069 0.000 1.088 400 M CB -0.720 31.833 32.600 -0.079 0.000 1.360 400 M HN 0.270 nan 8.290 nan 0.000 0.404 401 H N 0.225 119.369 119.070 0.123 0.000 2.551 401 H HA 0.175 4.730 4.556 -0.001 0.000 0.266 401 H C 1.108 176.443 175.328 0.011 0.000 0.964 401 H CA 0.637 56.714 56.048 0.048 0.000 1.180 401 H CB -0.236 29.508 29.762 -0.031 0.000 1.408 401 H HN 0.589 nan 8.280 nan 0.000 0.563 402 N N 0.400 119.169 118.700 0.115 0.000 2.463 402 N HA -0.031 4.708 4.740 -0.001 0.000 0.181 402 N C 1.379 176.890 175.510 0.001 0.000 1.078 402 N CA 0.354 53.438 53.050 0.058 0.000 0.902 402 N CB 0.456 38.977 38.487 0.057 0.000 0.970 402 N HN 0.280 nan 8.380 nan 0.000 0.451 403 I N -0.027 120.516 120.570 -0.044 0.000 3.265 403 I HA -0.052 4.117 4.170 -0.001 0.000 0.282 403 I C 2.133 178.120 176.117 -0.216 0.000 1.207 403 I CA 0.424 61.594 61.300 -0.218 0.000 1.449 403 I CB 0.010 37.729 38.000 -0.469 0.000 1.121 403 I HN 0.012 nan 8.210 nan 0.000 0.442 404 S N -0.101 115.609 115.700 0.017 0.000 2.436 404 S HA 0.177 4.647 4.470 -0.001 0.000 0.228 404 S C 1.872 176.556 174.600 0.140 0.000 1.014 404 S CA 0.781 59.105 58.200 0.206 0.000 0.950 404 S CB -0.012 63.443 63.200 0.425 0.000 0.784 404 S HN 0.519 nan 8.310 nan 0.000 0.504 405 G N 0.345 109.199 108.800 0.090 0.000 2.238 405 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.217 405 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.217 405 G C 0.462 175.393 174.900 0.052 0.000 0.996 405 G CA 0.063 45.206 45.100 0.071 0.000 0.632 405 G HN 0.645 nan 8.290 nan 0.000 0.503 406 S N 1.471 117.164 115.700 -0.013 0.000 3.697 406 S HA 0.276 4.745 4.470 -0.001 0.000 0.207 406 S C 1.545 175.835 174.600 -0.518 0.000 1.459 406 S CA 0.264 58.228 58.200 -0.392 0.000 1.122 406 S CB 0.512 63.384 63.200 -0.547 0.000 1.311 406 S HN 0.524 nan 8.310 nan 0.000 0.487 407 K N 0.684 120.977 120.400 -0.178 0.000 2.218 407 K HA -0.196 4.124 4.320 -0.001 0.000 0.205 407 K C 1.534 178.070 176.600 -0.108 0.000 1.046 407 K CA 1.526 57.767 56.287 -0.076 0.000 0.933 407 K CB -0.297 32.224 32.500 0.035 0.000 0.728 407 K HN 0.802 nan 8.250 nan 0.000 0.454 408 Y N 0.251 120.535 120.300 -0.026 0.000 2.497 408 Y HA 0.016 4.566 4.550 -0.001 0.000 0.292 408 Y C 0.181 176.030 175.900 -0.084 0.000 1.137 408 Y CA 0.171 58.243 58.100 -0.046 0.000 1.285 408 Y CB -0.499 37.932 38.460 -0.048 0.000 0.991 408 Y HN -0.251 nan 8.280 nan 0.000 0.556 409 K N 2.925 122.966 120.400 -0.598 0.000 2.081 409 K HA 0.059 4.379 4.320 -0.001 0.000 0.230 409 K C -0.313 176.158 176.600 -0.214 0.000 1.199 409 K CA 0.168 56.193 56.287 -0.436 0.000 1.130 409 K CB -0.018 31.995 32.500 -0.812 0.000 1.386 409 K HN 0.236 nan 8.250 nan 0.000 0.280 410 K N 2.193 122.513 120.400 -0.133 0.000 2.312 410 K HA 0.099 4.418 4.320 -0.001 0.000 0.287 410 K C -0.212 176.272 176.600 -0.194 0.000 1.062 410 K CA -0.346 55.856 56.287 -0.142 0.000 0.934 410 K CB 0.490 32.939 32.500 -0.084 0.000 1.027 410 K HN 0.243 nan 8.250 nan 0.000 0.478 411 F N 3.320 122.985 119.950 -0.475 0.000 2.456 411 F HA 0.086 4.613 4.527 -0.001 0.000 0.358 411 F C -0.107 175.477 175.800 -0.360 0.000 1.095 411 F CA -0.237 57.493 58.000 -0.450 0.000 1.216 411 F CB 0.722 39.360 39.000 -0.603 0.000 1.125 411 F HN 0.089 nan 8.300 nan 0.000 0.549 412 V N 5.332 125.034 119.914 -0.354 0.000 2.540 412 V HA 0.742 4.861 4.120 -0.001 0.000 0.302 412 V C -0.554 175.537 176.094 -0.005 0.000 1.035 412 V CA -0.747 61.504 62.300 -0.081 0.000 0.873 412 V CB 1.434 33.195 31.823 -0.104 0.000 0.992 412 V HN 0.923 nan 8.190 nan 0.000 0.428 413 A N 5.195 128.145 122.820 0.217 0.000 2.335 413 A HA 0.839 5.159 4.320 -0.001 0.000 0.304 413 A C -0.626 177.047 177.584 0.149 0.000 1.118 413 A CA -0.718 51.454 52.037 0.225 0.000 0.757 413 A CB 1.047 20.264 19.000 0.361 0.000 1.188 413 A HN 0.775 nan 8.150 nan 0.000 0.460 414 K N 1.959 122.423 120.400 0.106 0.000 2.378 414 K HA 0.675 4.995 4.320 -0.001 0.000 0.252 414 K C -1.374 175.241 176.600 0.025 0.000 0.931 414 K CA -0.327 56.017 56.287 0.096 0.000 0.794 414 K CB 2.510 35.096 32.500 0.144 0.000 1.181 414 K HN 0.652 nan 8.250 nan 0.000 0.425 415 I N 2.716 123.287 120.570 0.003 0.000 2.378 415 I HA 0.276 4.446 4.170 -0.001 0.000 0.291 415 I C -0.663 175.478 176.117 0.041 0.000 0.992 415 I CA -1.151 60.099 61.300 -0.083 0.000 1.154 415 I CB 1.834 39.681 38.000 -0.255 0.000 1.315 415 I HN 0.176 nan 8.210 nan 0.000 0.448 416 V N 5.015 124.930 119.914 0.002 0.000 2.435 416 V HA 0.539 4.659 4.120 -0.001 0.000 0.290 416 V C 0.251 176.344 176.094 -0.002 0.000 1.030 416 V CA -0.366 61.952 62.300 0.031 0.000 0.881 416 V CB 1.733 33.600 31.823 0.074 0.000 0.983 416 V HN 0.879 nan 8.190 nan 0.000 0.445 417 T N 0.549 115.119 114.554 0.027 0.000 2.916 417 T HA 0.437 4.787 4.350 -0.001 0.000 0.292 417 T C -0.383 174.272 174.700 -0.076 0.000 1.055 417 T CA -0.876 61.224 62.100 -0.001 0.000 1.009 417 T CB 1.728 70.682 68.868 0.144 0.000 1.118 417 T HN 0.448 nan 8.240 nan 0.000 0.497 418 N N 0.375 118.953 118.700 -0.203 0.000 2.402 418 N HA 0.085 4.824 4.740 -0.001 0.000 0.252 418 N C 0.602 176.123 175.510 0.018 0.000 1.118 418 N CA -0.051 52.861 53.050 -0.228 0.000 0.945 418 N CB 0.345 38.557 38.487 -0.458 0.000 1.147 418 N HN 0.853 nan 8.380 nan 0.000 0.495 419 H N 2.191 121.281 119.070 0.032 0.000 2.491 419 H HA 0.059 4.615 4.556 -0.001 0.000 0.290 419 H C 1.356 176.734 175.328 0.084 0.000 1.050 419 H CA 1.490 57.597 56.048 0.097 0.000 1.309 419 H CB 0.453 30.321 29.762 0.177 0.000 1.392 419 H HN 0.517 nan 8.280 nan 0.000 0.554 420 S N -0.139 115.595 115.700 0.057 0.000 2.383 420 S HA -0.147 4.323 4.470 -0.001 0.000 0.229 420 S C 1.040 175.617 174.600 -0.039 0.000 1.030 420 S CA 1.612 59.817 58.200 0.009 0.000 1.002 420 S CB -0.058 63.191 63.200 0.082 0.000 0.829 420 S HN 0.855 nan 8.310 nan 0.000 0.467 421 D N -2.381 117.999 120.400 -0.033 0.000 2.538 421 D HA 0.280 4.919 4.640 -0.001 0.000 0.241 421 D C 0.950 177.234 176.300 -0.028 0.000 1.297 421 D CA 0.579 54.561 54.000 -0.030 0.000 0.804 421 D CB -0.424 40.376 40.800 0.001 0.000 1.122 421 D HN 0.290 nan 8.370 nan 0.000 0.519 422 G N 0.352 109.137 108.800 -0.024 0.000 2.212 422 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.266 422 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.266 422 G C 0.521 175.428 174.900 0.012 0.000 0.978 422 G CA 0.525 45.635 45.100 0.016 0.000 0.632 422 G HN 0.459 nan 8.290 nan 0.000 0.537 423 T N 1.625 116.167 114.554 -0.019 0.000 2.871 423 T HA 0.351 4.700 4.350 -0.001 0.000 0.296 423 T C 0.895 175.569 174.700 -0.044 0.000 0.998 423 T CA 0.181 62.266 62.100 -0.026 0.000 1.162 423 T CB 1.680 70.517 68.868 -0.052 0.000 0.947 423 T HN 0.508 nan 8.240 nan 0.000 0.536 424 V N 6.293 126.207 119.914 -0.000 0.000 2.450 424 V HA 0.043 4.163 4.120 -0.001 0.000 0.281 424 V C 1.347 177.410 176.094 -0.053 0.000 1.019 424 V CA 0.316 62.598 62.300 -0.030 0.000 1.062 424 V CB 0.196 32.029 31.823 0.017 0.000 0.979 424 V HN 0.830 nan 8.190 nan 0.000 0.477 425 L N 4.146 125.315 121.223 -0.090 0.000 2.408 425 L HA 0.458 4.797 4.340 -0.001 0.000 0.215 425 L C 1.048 177.892 176.870 -0.043 0.000 1.081 425 L CA 0.728 55.518 54.840 -0.083 0.000 0.840 425 L CB 0.195 42.167 42.059 -0.145 0.000 1.002 425 L HN 0.793 nan 8.230 nan 0.000 0.468 426 G N -0.594 108.158 108.800 -0.080 0.000 2.667 426 G HA2 0.532 4.491 3.960 -0.001 0.000 0.294 426 G HA3 0.532 4.491 3.960 -0.001 0.000 0.294 426 G C -1.931 172.745 174.900 -0.373 0.000 1.467 426 G CA -0.317 44.678 45.100 -0.174 0.000 0.852 426 G HN -0.287 nan 8.290 nan 0.000 0.521 427 V N 2.297 121.832 119.914 -0.631 0.000 2.686 427 V HA 0.627 4.746 4.120 -0.001 0.000 0.306 427 V C -1.155 174.504 176.094 -0.726 0.000 1.065 427 V CA -0.947 61.026 62.300 -0.545 0.000 0.894 427 V CB 2.029 33.672 31.823 -0.299 0.000 1.004 427 V HN 0.835 nan 8.190 nan 0.000 0.424 428 H N 5.245 124.303 119.070 -0.019 0.000 2.689 428 H HA 0.692 5.247 4.556 -0.001 0.000 0.346 428 H C -1.241 174.073 175.328 -0.024 0.000 1.037 428 H CA -0.496 55.548 56.048 -0.006 0.000 1.234 428 H CB 2.294 32.062 29.762 0.009 0.000 1.572 428 H HN 0.429 nan 8.280 nan 0.000 0.524 429 L N 3.413 124.651 121.223 0.026 0.000 2.401 429 L HA 0.447 4.786 4.340 -0.001 0.000 0.266 429 L C -0.992 175.723 176.870 -0.259 0.000 0.991 429 L CA -0.992 53.779 54.840 -0.115 0.000 0.818 429 L CB 2.826 44.859 42.059 -0.043 0.000 1.321 429 L HN 0.250 nan 8.230 nan 0.000 0.413 430 L N 2.159 123.057 121.223 -0.541 0.000 2.439 430 L HA 0.994 5.333 4.340 -0.001 0.000 0.270 430 L C -0.295 175.994 176.870 -0.968 0.000 0.972 430 L CA 0.323 54.843 54.840 -0.532 0.000 0.836 430 L CB 1.778 43.636 42.059 -0.335 0.000 1.255 430 L HN 0.749 nan 8.230 nan 0.000 0.404 431 G N 2.685 111.112 108.800 -0.623 0.000 2.347 431 G HA2 0.086 4.045 3.960 -0.001 0.000 0.321 431 G HA3 0.086 4.045 3.960 -0.001 0.000 0.321 431 G C -1.778 173.133 174.900 0.019 0.000 1.412 431 G CA -0.988 43.888 45.100 -0.374 0.000 0.990 431 G HN 0.566 nan 8.290 nan 0.000 0.637 432 D N 0.110 120.634 120.400 0.206 0.000 2.525 432 D HA 0.390 5.029 4.640 -0.001 0.000 0.235 432 D C 1.610 178.059 176.300 0.248 0.000 1.137 432 D CA 2.237 56.354 54.000 0.194 0.000 0.868 432 D CB 0.845 41.779 40.800 0.224 0.000 1.180 432 D HN 1.908 nan 8.370 nan 0.000 0.465 433 G N 1.808 110.701 108.800 0.154 0.000 2.212 433 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.266 433 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.266 433 G C 1.277 176.259 174.900 0.137 0.000 0.978 433 G CA 1.056 46.242 45.100 0.143 0.000 0.632 433 G HN 0.730 nan 8.290 nan 0.000 0.537 434 A N 1.331 124.225 122.820 0.122 0.000 1.892 434 A HA 0.095 4.414 4.320 -0.001 0.000 0.218 434 A C 0.641 178.218 177.584 -0.012 0.000 1.188 434 A CA 2.642 54.714 52.037 0.057 0.000 0.631 434 A CB -1.224 17.711 19.000 -0.107 0.000 0.822 434 A HN 0.482 nan 8.150 nan 0.000 0.447 435 P HA -0.125 nan 4.420 nan 0.000 0.218 435 P C 1.201 178.509 177.300 0.014 0.000 1.148 435 P CA 1.160 64.193 63.100 -0.112 0.000 0.822 435 P CB 0.010 31.548 31.700 -0.270 0.000 0.784 436 E N -0.650 119.582 120.200 0.053 0.000 2.076 436 E HA -0.031 4.318 4.350 -0.001 0.000 0.190 436 E C 2.120 178.756 176.600 0.061 0.000 0.979 436 E CA 0.777 57.217 56.400 0.067 0.000 0.807 436 E CB -0.661 29.082 29.700 0.073 0.000 0.761 436 E HN 0.321 nan 8.360 nan 0.000 0.454 437 I N 0.821 121.436 120.570 0.076 0.000 2.226 437 I HA -0.253 3.916 4.170 -0.001 0.000 0.245 437 I C 2.411 178.574 176.117 0.076 0.000 1.100 437 I CA 0.671 62.024 61.300 0.087 0.000 1.374 437 I CB -0.156 37.926 38.000 0.138 0.000 1.057 437 I HN 0.028 nan 8.210 nan 0.000 0.413 438 I N 0.662 121.267 120.570 0.058 0.000 2.493 438 I HA -0.270 3.900 4.170 -0.001 0.000 0.254 438 I C 2.440 178.581 176.117 0.039 0.000 1.160 438 I CA 1.330 62.655 61.300 0.042 0.000 1.445 438 I CB -0.333 37.674 38.000 0.012 0.000 1.086 438 I HN 0.217 nan 8.210 nan 0.000 0.433 439 Q N 1.120 120.942 119.800 0.037 0.000 2.045 439 Q HA -0.204 4.135 4.340 -0.001 0.000 0.206 439 Q C 2.169 178.185 176.000 0.027 0.000 0.991 439 Q CA 2.695 58.515 55.803 0.030 0.000 0.851 439 Q CB -0.570 28.186 28.738 0.030 0.000 0.911 439 Q HN 0.522 nan 8.270 nan 0.000 0.418 440 A N -0.678 122.159 122.820 0.029 0.000 2.066 440 A HA -0.014 4.306 4.320 -0.001 0.000 0.218 440 A C 2.208 179.809 177.584 0.029 0.000 1.157 440 A CA 1.100 53.147 52.037 0.016 0.000 0.670 440 A CB -0.457 18.546 19.000 0.006 0.000 0.804 440 A HN 0.284 nan 8.150 nan 0.000 0.453 441 V N 0.021 119.977 119.914 0.071 0.000 2.407 441 V HA -0.213 3.907 4.120 -0.001 0.000 0.248 441 V C 2.802 178.945 176.094 0.083 0.000 1.055 441 V CA 1.881 64.259 62.300 0.129 0.000 1.049 441 V CB -1.378 30.536 31.823 0.152 0.000 0.662 441 V HN 0.598 nan 8.190 nan 0.000 0.455 442 G N -0.040 108.784 108.800 0.041 0.000 2.442 442 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.219 442 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.219 442 G C 1.611 176.520 174.900 0.015 0.000 1.141 442 G CA 1.357 46.470 45.100 0.021 0.000 0.763 442 G HN 0.431 nan 8.290 nan 0.000 0.554 443 V N 0.446 120.365 119.914 0.008 0.000 2.358 443 V HA -0.184 3.935 4.120 -0.001 0.000 0.246 443 V C 3.037 179.123 176.094 -0.014 0.000 1.047 443 V CA 1.580 63.876 62.300 -0.008 0.000 1.035 443 V CB -0.794 31.018 31.823 -0.018 0.000 0.658 443 V HN 0.498 nan 8.190 nan 0.000 0.452 444 C N -0.074 119.215 119.300 -0.017 0.000 2.393 444 C HA -0.186 4.274 4.460 -0.001 0.000 0.276 444 C C 2.644 177.648 174.990 0.023 0.000 1.215 444 C CA 0.974 59.969 59.018 -0.038 0.000 1.743 444 C CB -1.198 26.498 27.740 -0.074 0.000 2.044 444 C HN 0.482 nan 8.230 nan 0.000 0.464 445 L N 0.593 121.855 121.223 0.064 0.000 2.042 445 L HA -0.113 4.227 4.340 -0.001 0.000 0.210 445 L C 2.751 179.638 176.870 0.028 0.000 1.076 445 L CA 1.703 56.577 54.840 0.056 0.000 0.749 445 L CB -0.733 41.353 42.059 0.045 0.000 0.893 445 L HN 0.264 nan 8.230 nan 0.000 0.432 446 R N -0.488 120.021 120.500 0.015 0.000 2.189 446 R HA -0.005 4.334 4.340 -0.001 0.000 0.223 446 R C 1.605 177.908 176.300 0.004 0.000 1.092 446 R CA 0.825 56.929 56.100 0.006 0.000 0.989 446 R CB -0.372 29.927 30.300 -0.001 0.000 0.876 446 R HN 0.364 nan 8.270 nan 0.000 0.457 447 L N 1.520 122.741 121.223 -0.002 0.000 2.688 447 L HA 0.091 4.430 4.340 -0.001 0.000 0.234 447 L C -0.230 176.639 176.870 -0.001 0.000 1.192 447 L CA -0.169 54.666 54.840 -0.009 0.000 0.984 447 L CB -0.270 41.773 42.059 -0.028 0.000 1.232 447 L HN 0.134 nan 8.230 nan 0.000 0.465 448 N N 0.706 119.414 118.700 0.013 0.000 2.714 448 N HA -0.189 4.550 4.740 -0.001 0.000 0.252 448 N C 0.443 175.967 175.510 0.024 0.000 1.014 448 N CA 0.874 53.937 53.050 0.022 0.000 0.735 448 N CB -0.877 37.622 38.487 0.020 0.000 0.924 448 N HN 0.434 nan 8.380 nan 0.000 0.540 449 A N 0.257 123.097 122.820 0.034 0.000 2.555 449 A HA 0.151 4.470 4.320 -0.001 0.000 0.233 449 A C 0.816 178.464 177.584 0.106 0.000 1.060 449 A CA 0.574 52.640 52.037 0.049 0.000 0.759 449 A CB 0.515 19.556 19.000 0.068 0.000 0.995 449 A HN 0.324 nan 8.150 nan 0.000 0.506 450 K N 1.073 121.532 120.400 0.098 0.000 2.238 450 K HA 0.394 4.714 4.320 -0.001 0.000 0.239 450 K C 0.925 177.624 176.600 0.164 0.000 0.987 450 K CA -0.824 55.518 56.287 0.093 0.000 0.857 450 K CB 1.475 34.002 32.500 0.045 0.000 1.154 450 K HN 0.540 nan 8.250 nan 0.000 0.439 451 I N 1.665 122.279 120.570 0.073 0.000 2.264 451 I HA -0.314 3.855 4.170 -0.001 0.000 0.248 451 I C 2.022 178.190 176.117 0.086 0.000 1.111 451 I CA 1.966 63.260 61.300 -0.010 0.000 1.382 451 I CB -0.175 37.644 38.000 -0.302 0.000 1.060 451 I HN 0.754 nan 8.210 nan 0.000 0.418 452 S N -0.616 115.130 115.700 0.077 0.000 2.423 452 S HA -0.160 4.309 4.470 -0.001 0.000 0.231 452 S C 1.768 176.439 174.600 0.118 0.000 1.014 452 S CA 1.070 59.336 58.200 0.110 0.000 0.965 452 S CB -0.708 62.532 63.200 0.067 0.000 0.785 452 S HN 0.507 nan 8.310 nan 0.000 0.495 453 D N 1.009 121.456 120.400 0.079 0.000 2.117 453 D HA -0.041 4.599 4.640 -0.001 0.000 0.197 453 D C 1.498 177.758 176.300 -0.067 0.000 0.987 453 D CA 1.077 55.066 54.000 -0.018 0.000 0.829 453 D CB -0.384 40.363 40.800 -0.089 0.000 0.961 453 D HN 0.455 nan 8.370 nan 0.000 0.460 454 F N 0.161 120.096 119.950 -0.026 0.000 2.084 454 F HA -0.175 4.351 4.527 -0.001 0.000 0.296 454 F C 2.441 178.221 175.800 -0.033 0.000 1.111 454 F CA 0.864 58.841 58.000 -0.038 0.000 1.224 454 F CB -0.719 38.247 39.000 -0.057 0.000 0.991 454 F HN -0.056 nan 8.300 nan 0.000 0.471 455 Y N 1.456 121.821 120.300 0.109 0.000 2.165 455 Y HA -0.275 4.275 4.550 -0.001 0.000 0.286 455 Y C 2.205 178.111 175.900 0.011 0.000 1.155 455 Y CA 1.787 59.905 58.100 0.029 0.000 1.164 455 Y CB -0.681 37.774 38.460 -0.009 0.000 0.978 455 Y HN -0.024 nan 8.280 nan 0.000 0.513 456 N N -0.402 118.307 118.700 0.015 0.000 2.364 456 N HA -0.094 4.646 4.740 -0.001 0.000 0.183 456 N C 0.346 175.784 175.510 -0.119 0.000 1.022 456 N CA 1.246 54.261 53.050 -0.057 0.000 0.883 456 N CB -0.729 37.766 38.487 0.013 0.000 0.965 456 N HN 0.211 nan 8.380 nan 0.000 0.438 457 T N 2.040 116.525 114.554 -0.116 0.000 2.916 457 T HA 0.166 4.515 4.350 -0.001 0.000 0.303 457 T C 0.903 175.523 174.700 -0.134 0.000 1.025 457 T CA -0.192 61.839 62.100 -0.116 0.000 1.142 457 T CB 0.824 69.622 68.868 -0.117 0.000 0.947 457 T HN 0.007 nan 8.240 nan 0.000 0.544 458 I N 2.731 123.236 120.570 -0.109 0.000 2.496 458 I HA 0.206 4.375 4.170 -0.001 0.000 0.285 458 I C 1.489 177.557 176.117 -0.081 0.000 1.080 458 I CA -0.363 60.873 61.300 -0.107 0.000 1.404 458 I CB 0.458 38.410 38.000 -0.081 0.000 1.403 458 I HN 0.671 nan 8.210 nan 0.000 0.539 459 G N 5.721 114.471 108.800 -0.084 0.000 2.432 459 G HA2 0.275 4.235 3.960 -0.001 0.000 0.239 459 G HA3 0.275 4.235 3.960 -0.001 0.000 0.239 459 G C -0.186 174.709 174.900 -0.008 0.000 1.291 459 G CA -0.439 44.635 45.100 -0.043 0.000 0.863 459 G HN 0.414 nan 8.290 nan 0.000 0.560 460 V N 2.868 122.787 119.914 0.007 0.000 2.432 460 V HA 0.257 4.377 4.120 -0.001 0.000 0.271 460 V C 0.097 176.231 176.094 0.066 0.000 1.046 460 V CA -0.319 61.995 62.300 0.023 0.000 0.945 460 V CB 0.742 32.565 31.823 0.001 0.000 0.992 460 V HN 0.880 nan 8.190 nan 0.000 0.471 461 H N 5.954 124.997 119.070 -0.044 0.000 2.600 461 H HA 0.719 5.274 4.556 -0.001 0.000 0.357 461 H C -2.658 172.647 175.328 -0.038 0.000 1.106 461 H CA -1.920 54.100 56.048 -0.047 0.000 1.193 461 H CB 2.085 31.816 29.762 -0.051 0.000 1.594 461 H HN 0.524 nan 8.280 nan 0.000 0.526 462 P HA 0.331 nan 4.420 nan 0.000 0.297 462 P C -1.284 175.902 177.300 -0.190 0.000 1.319 462 P CA -0.554 62.226 63.100 -0.534 0.000 0.810 462 P CB 1.422 32.794 31.700 -0.546 0.000 0.947 463 T N -2.183 112.317 114.554 -0.089 0.000 2.816 463 T HA 0.341 4.691 4.350 -0.001 0.000 0.299 463 T C 0.770 175.410 174.700 -0.100 0.000 1.230 463 T CA -0.568 61.484 62.100 -0.079 0.000 1.007 463 T CB 1.125 69.961 68.868 -0.053 0.000 1.289 463 T HN -0.035 nan 8.240 nan 0.000 0.508 464 S N 0.277 115.866 115.700 -0.186 0.000 2.371 464 S HA 0.044 4.514 4.470 -0.001 0.000 0.224 464 S C 2.504 176.941 174.600 -0.271 0.000 1.029 464 S CA 1.087 59.039 58.200 -0.412 0.000 0.978 464 S CB -0.892 61.735 63.200 -0.955 0.000 0.833 464 S HN 0.936 nan 8.310 nan 0.000 0.466 465 A N 2.310 125.062 122.820 -0.113 0.000 1.948 465 A HA -0.240 4.080 4.320 -0.001 0.000 0.220 465 A C 1.992 179.589 177.584 0.022 0.000 1.177 465 A CA 1.890 53.928 52.037 0.002 0.000 0.636 465 A CB -0.801 18.220 19.000 0.036 0.000 0.815 465 A HN 0.785 nan 8.150 nan 0.000 0.449 466 E N -0.441 119.757 120.200 -0.003 0.000 2.219 466 E HA -0.285 4.065 4.350 -0.001 0.000 0.198 466 E C 1.549 178.151 176.600 0.003 0.000 0.998 466 E CA 1.411 57.813 56.400 0.004 0.000 0.818 466 E CB -0.326 29.378 29.700 0.007 0.000 0.741 466 E HN 0.502 nan 8.360 nan 0.000 0.477 467 E N 1.067 121.267 120.200 0.001 0.000 2.187 467 E HA -0.145 4.205 4.350 -0.001 0.000 0.199 467 E C 1.882 178.521 176.600 0.066 0.000 1.004 467 E CA 1.096 57.518 56.400 0.036 0.000 0.813 467 E CB -0.219 29.548 29.700 0.112 0.000 0.736 467 E HN 0.445 nan 8.360 nan 0.000 0.468 468 L N -1.156 120.114 121.223 0.078 0.000 2.465 468 L HA -0.075 4.264 4.340 -0.001 0.000 0.224 468 L C 1.312 178.246 176.870 0.107 0.000 1.145 468 L CA 0.247 55.123 54.840 0.060 0.000 0.834 468 L CB 0.104 42.224 42.059 0.102 0.000 0.944 468 L HN 0.202 nan 8.230 nan 0.000 0.451 469 C N -1.753 117.600 119.300 0.089 0.000 3.104 469 C HA 0.193 4.652 4.460 -0.001 0.000 0.284 469 C C 1.927 176.882 174.990 -0.058 0.000 1.326 469 C CA -0.163 58.887 59.018 0.054 0.000 1.725 469 C CB -0.280 27.467 27.740 0.013 0.000 2.156 469 C HN 0.309 nan 8.230 nan 0.000 0.638 470 S N 0.359 116.073 115.700 0.024 0.000 2.629 470 S HA 0.353 4.822 4.470 -0.001 0.000 0.236 470 S C 0.217 174.965 174.600 0.246 0.000 1.010 470 S CA 0.033 58.272 58.200 0.064 0.000 0.981 470 S CB 0.009 63.218 63.200 0.015 0.000 0.919 470 S HN 0.521 nan 8.310 nan 0.000 0.514 471 M N 2.061 121.816 119.600 0.257 0.000 2.167 471 M HA 0.384 4.863 4.480 -0.001 0.000 0.333 471 M C 0.692 177.054 176.300 0.103 0.000 1.030 471 M CA -0.225 55.183 55.300 0.180 0.000 0.963 471 M CB 1.586 34.243 32.600 0.094 0.000 1.589 471 M HN 0.163 nan 8.290 nan 0.000 0.431 472 R N -0.079 120.440 120.500 0.032 0.000 2.544 472 R HA 0.299 4.639 4.340 -0.001 0.000 0.303 472 R C -0.681 175.704 176.300 0.141 0.000 0.939 472 R CA -0.220 55.775 56.100 -0.175 0.000 1.102 472 R CB 0.547 30.350 30.300 -0.827 0.000 1.440 472 R HN 0.410 nan 8.270 nan 0.000 0.532 473 T N 3.322 118.004 114.554 0.212 0.000 2.809 473 T HA 0.416 4.766 4.350 -0.001 0.000 0.284 473 T C -2.778 171.875 174.700 -0.079 0.000 0.992 473 T CA -1.728 60.436 62.100 0.107 0.000 0.957 473 T CB 2.149 71.035 68.868 0.031 0.000 0.942 473 T HN -0.071 nan 8.240 nan 0.000 0.439 474 P HA 0.172 nan 4.420 nan 0.000 0.264 474 P C 0.597 177.562 177.300 -0.558 0.000 1.193 474 P CA 0.051 62.529 63.100 -1.038 0.000 0.763 474 P CB 0.536 31.406 31.700 -1.384 0.000 0.810 475 S N 2.026 117.441 115.700 -0.474 0.000 2.382 475 S HA -0.064 4.405 4.470 -0.001 0.000 0.228 475 S C 0.511 175.028 174.600 -0.138 0.000 1.027 475 S CA 1.323 59.401 58.200 -0.204 0.000 0.991 475 S CB -0.708 62.446 63.200 -0.076 0.000 0.823 475 S HN 0.714 nan 8.310 nan 0.000 0.469 476 Y N -2.916 117.100 120.300 -0.474 0.000 2.818 476 Y HA 0.686 5.235 4.550 -0.001 0.000 0.341 476 Y C -1.528 173.932 175.900 -0.734 0.000 1.283 476 Y CA -2.201 55.645 58.100 -0.423 0.000 1.075 476 Y CB 0.524 38.839 38.460 -0.241 0.000 1.370 476 Y HN -0.082 nan 8.280 nan 0.000 0.448 477 Y N -0.788 119.476 120.300 -0.059 0.000 2.609 477 Y HA 0.679 5.228 4.550 -0.001 0.000 0.342 477 Y C -1.471 174.330 175.900 -0.165 0.000 1.058 477 Y CA -1.465 56.564 58.100 -0.118 0.000 1.055 477 Y CB 2.206 40.584 38.460 -0.137 0.000 1.292 477 Y HN 0.573 nan 8.280 nan 0.000 0.476 478 Y N 0.385 120.814 120.300 0.216 0.000 2.376 478 Y HA 0.667 5.216 4.550 -0.001 0.000 0.340 478 Y C -0.766 175.224 175.900 0.150 0.000 0.965 478 Y CA -1.127 57.075 58.100 0.170 0.000 1.078 478 Y CB 1.866 40.410 38.460 0.139 0.000 1.193 478 Y HN 0.183 nan 8.280 nan 0.000 0.452 479 V N 3.996 124.046 119.914 0.226 0.000 2.540 479 V HA 0.229 4.348 4.120 -0.001 0.000 0.302 479 V C -0.486 175.691 176.094 0.138 0.000 1.035 479 V CA -1.936 60.455 62.300 0.152 0.000 0.873 479 V CB 1.748 33.614 31.823 0.071 0.000 0.992 479 V HN 0.811 nan 8.190 nan 0.000 0.428 480 K N 3.343 123.818 120.400 0.124 0.000 3.585 480 K HA -0.290 4.030 4.320 -0.001 0.000 0.272 480 K C 0.976 177.644 176.600 0.113 0.000 0.828 480 K CA 0.962 57.310 56.287 0.103 0.000 0.631 480 K CB -1.949 30.592 32.500 0.069 0.000 1.636 480 K HN 1.730 nan 8.250 nan 0.000 0.448 481 G N -0.100 108.796 108.800 0.161 0.000 2.199 481 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.254 481 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.254 481 G C -0.158 174.903 174.900 0.268 0.000 0.982 481 G CA 0.506 45.712 45.100 0.176 0.000 0.632 481 G HN 0.791 nan 8.290 nan 0.000 0.529 482 E N 0.200 120.539 120.200 0.231 0.000 2.183 482 E HA 0.677 5.026 4.350 -0.001 0.000 0.271 482 E C -0.171 176.471 176.600 0.070 0.000 0.919 482 E CA -1.138 55.363 56.400 0.169 0.000 0.781 482 E CB 1.948 31.696 29.700 0.079 0.000 1.140 482 E HN 0.223 nan 8.360 nan 0.000 0.402 483 K N 4.400 124.755 120.400 -0.075 0.000 2.249 483 K HA 0.334 4.653 4.320 -0.001 0.000 0.280 483 K C -0.733 175.741 176.600 -0.211 0.000 1.033 483 K CA -0.297 55.735 56.287 -0.425 0.000 0.946 483 K CB 0.523 32.702 32.500 -0.536 0.000 1.005 483 K HN 0.787 nan 8.250 nan 0.000 0.469 484 M N 2.039 121.545 119.600 -0.157 0.000 2.373 484 M HA 0.159 4.638 4.480 -0.001 0.000 0.290 484 M C 0.275 176.602 176.300 0.045 0.000 1.143 484 M CA -0.778 54.489 55.300 -0.055 0.000 0.949 484 M CB 1.766 34.350 32.600 -0.027 0.000 1.756 484 M HN 0.674 nan 8.290 nan 0.000 0.494 485 E N 2.141 122.360 120.200 0.031 0.000 2.204 485 E HA -0.032 4.318 4.350 -0.001 0.000 0.195 485 E C -0.415 176.293 176.600 0.179 0.000 0.990 485 E CA 1.325 57.785 56.400 0.099 0.000 0.821 485 E CB 0.450 30.172 29.700 0.036 0.000 0.750 485 E HN 0.696 nan 8.360 nan 0.000 0.477 486 K N -0.071 120.383 120.400 0.091 0.000 2.395 486 K HA 0.451 4.771 4.320 -0.001 0.000 0.247 486 K C -0.402 176.073 176.600 -0.208 0.000 0.973 486 K CA -0.670 55.609 56.287 -0.013 0.000 0.828 486 K CB 2.109 34.591 32.500 -0.030 0.000 1.272 486 K HN -0.068 nan 8.250 nan 0.000 0.439 487 L N 0.000 120.951 121.223 -0.453 0.000 2.949 487 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 487 L CA 0.000 54.605 54.840 -0.391 0.000 0.813 487 L CB 0.000 41.785 42.059 -0.458 0.000 0.961 487 L HN 0.000 nan 8.230 nan 0.000 0.502