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_D 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 VKGEKMEKLP 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 0.000 174.603 174.600 0.005 0.000 1.055 -1 S CA 0.000 58.168 58.200 -0.054 0.000 1.107 -1 S CB 0.000 63.162 63.200 -0.064 0.000 0.593 0 H N -0.754 118.317 119.070 0.001 0.000 2.946 0 H HA 0.741 5.293 4.556 -0.006 0.000 0.365 0 H C -0.708 174.620 175.328 -0.001 0.000 1.197 0 H CA -1.286 54.762 56.048 0.001 0.000 1.131 0 H CB 0.458 30.223 29.762 0.004 0.000 1.849 0 H HN 0.472 nan 8.280 nan 0.000 0.555 1 M N 1.633 121.312 119.600 0.132 0.000 2.238 1 M HA 0.180 4.656 4.480 -0.006 0.000 0.350 1 M C -0.117 176.224 176.300 0.069 0.000 1.321 1 M CA 0.023 55.358 55.300 0.059 0.000 1.097 1 M CB 0.802 33.426 32.600 0.040 0.000 1.713 1 M HN 0.602 nan 8.290 nan 0.000 0.455 2 S N 2.924 118.638 115.700 0.022 0.000 2.560 2 S HA 0.099 4.565 4.470 -0.006 0.000 0.284 2 S C 0.153 174.765 174.600 0.019 0.000 1.327 2 S CA -0.429 57.788 58.200 0.027 0.000 1.055 2 S CB 0.361 63.564 63.200 0.006 0.000 0.868 2 S HN 0.445 nan 8.310 nan 0.000 0.506 3 K N 1.820 122.247 120.400 0.044 0.000 2.484 3 K HA 0.254 4.570 4.320 -0.006 0.000 0.280 3 K C -0.007 176.519 176.600 -0.123 0.000 1.013 3 K CA 0.059 56.337 56.287 -0.015 0.000 1.029 3 K CB 0.254 32.854 32.500 0.168 0.000 0.902 3 K HN 0.599 nan 8.250 nan 0.000 0.481 4 A N 3.338 125.909 122.820 -0.416 0.000 2.380 4 A HA 0.812 5.129 4.320 -0.006 0.000 0.315 4 A C -1.208 175.915 177.584 -0.767 0.000 1.101 4 A CA -0.693 51.148 52.037 -0.326 0.000 0.771 4 A CB 0.685 19.595 19.000 -0.150 0.000 1.287 4 A HN 0.540 nan 8.150 nan 0.000 0.436 5 F N -0.144 119.834 119.950 0.048 0.000 2.601 5 F HA 0.325 4.848 4.527 -0.007 0.000 0.309 5 F C 0.705 176.560 175.800 0.091 0.000 1.089 5 F CA -0.685 57.355 58.000 0.067 0.000 0.940 5 F CB 2.083 41.132 39.000 0.080 0.000 1.273 5 F HN 0.658 nan 8.300 nan 0.000 0.450 6 D N 0.767 121.319 120.400 0.253 0.000 2.144 6 D HA -0.046 4.590 4.640 -0.006 0.000 0.200 6 D C 0.047 176.609 176.300 0.436 0.000 0.978 6 D CA 1.667 55.831 54.000 0.274 0.000 0.833 6 D CB 0.464 41.277 40.800 0.021 0.000 0.961 6 D HN 0.179 nan 8.370 nan 0.000 0.470 7 L N 0.450 121.875 121.223 0.337 0.000 2.470 7 L HA 0.317 4.653 4.340 -0.006 0.000 0.268 7 L C -1.482 175.517 176.870 0.214 0.000 0.964 7 L CA -0.627 54.424 54.840 0.352 0.000 0.839 7 L CB 2.450 44.685 42.059 0.293 0.000 1.276 7 L HN -0.361 nan 8.230 nan 0.000 0.403 8 V N 5.592 125.605 119.914 0.166 0.000 2.409 8 V HA 0.561 4.677 4.120 -0.006 0.000 0.291 8 V C -0.419 175.716 176.094 0.069 0.000 1.020 8 V CA -0.663 61.639 62.300 0.004 0.000 0.848 8 V CB 1.805 33.586 31.823 -0.071 0.000 0.990 8 V HN 0.533 nan 8.190 nan 0.000 0.430 9 V N 6.509 126.457 119.914 0.057 0.000 2.394 9 V HA 0.500 4.616 4.120 -0.006 0.000 0.282 9 V C -0.067 176.051 176.094 0.041 0.000 1.031 9 V CA -0.422 61.932 62.300 0.090 0.000 0.881 9 V CB 1.656 33.555 31.823 0.127 0.000 0.982 9 V HN 0.662 nan 8.190 nan 0.000 0.451 10 I N 4.136 124.730 120.570 0.040 0.000 2.330 10 I HA 0.725 4.891 4.170 -0.006 0.000 0.289 10 I C 0.623 176.754 176.117 0.023 0.000 1.001 10 I CA -0.223 61.077 61.300 -0.000 0.000 1.193 10 I CB 1.486 39.481 38.000 -0.008 0.000 1.345 10 I HN 0.889 nan 8.210 nan 0.000 0.461 11 G N 4.545 113.349 108.800 0.008 0.000 3.373 11 G HA2 0.078 4.034 3.960 -0.006 0.000 0.685 11 G HA3 0.078 4.034 3.960 -0.006 0.000 0.685 11 G C -0.237 174.727 174.900 0.106 0.000 1.166 11 G CA -0.398 44.728 45.100 0.043 0.000 1.063 11 G HN 0.950 nan 8.290 nan 0.000 0.481 12 A N 1.701 124.607 122.820 0.144 0.000 3.135 12 A HA 0.738 5.054 4.320 -0.006 0.000 0.253 12 A C 1.377 179.090 177.584 0.214 0.000 1.638 12 A CA 1.269 53.446 52.037 0.234 0.000 1.295 12 A CB -0.323 18.889 19.000 0.355 0.000 1.106 12 A HN 1.992 nan 8.150 nan 0.000 0.648 13 G N -0.874 108.029 108.800 0.172 0.000 3.039 13 G HA2 0.388 4.344 3.960 -0.006 0.000 0.159 13 G HA3 0.388 4.344 3.960 -0.006 0.000 0.159 13 G C 1.077 176.061 174.900 0.141 0.000 1.284 13 G CA 0.534 45.731 45.100 0.163 0.000 0.996 13 G HN 0.230 nan 8.290 nan 0.000 0.592 14 S N -0.367 115.410 115.700 0.128 0.000 2.353 14 S HA -0.098 4.368 4.470 -0.006 0.000 0.222 14 S C 2.337 176.992 174.600 0.091 0.000 1.035 14 S CA 1.936 60.198 58.200 0.104 0.000 1.025 14 S CB -0.592 62.669 63.200 0.101 0.000 0.902 14 S HN 0.735 nan 8.310 nan 0.000 0.440 15 G N 0.496 109.358 108.800 0.104 0.000 2.411 15 G HA2 0.125 4.081 3.960 -0.006 0.000 0.213 15 G HA3 0.125 4.081 3.960 -0.006 0.000 0.213 15 G C 1.452 176.420 174.900 0.112 0.000 1.166 15 G CA 0.675 45.836 45.100 0.101 0.000 0.802 15 G HN 0.552 nan 8.290 nan 0.000 0.533 16 G N 0.920 109.795 108.800 0.125 0.000 2.442 16 G HA2 -0.160 3.797 3.960 -0.006 0.000 0.219 16 G HA3 -0.160 3.797 3.960 -0.006 0.000 0.219 16 G C 1.752 176.744 174.900 0.154 0.000 1.141 16 G CA 0.664 45.849 45.100 0.142 0.000 0.763 16 G HN 0.402 nan 8.290 nan 0.000 0.554 17 L N -0.307 120.997 121.223 0.136 0.000 2.131 17 L HA 0.047 4.384 4.340 -0.006 0.000 0.206 17 L C 2.745 179.666 176.870 0.085 0.000 1.087 17 L CA 1.240 56.145 54.840 0.107 0.000 0.767 17 L CB -0.255 41.823 42.059 0.031 0.000 0.917 17 L HN 0.268 nan 8.230 nan 0.000 0.441 18 E N 0.765 121.007 120.200 0.070 0.000 2.031 18 E HA -0.212 4.135 4.350 -0.006 0.000 0.193 18 E C 2.137 178.824 176.600 0.144 0.000 0.994 18 E CA 1.613 58.063 56.400 0.083 0.000 0.800 18 E CB -0.121 29.615 29.700 0.060 0.000 0.752 18 E HN 0.331 nan 8.360 nan 0.000 0.447 19 A N 0.458 123.359 122.820 0.136 0.000 1.884 19 A HA -0.186 4.130 4.320 -0.006 0.000 0.219 19 A C 2.520 180.198 177.584 0.156 0.000 1.197 19 A CA 2.398 54.527 52.037 0.153 0.000 0.637 19 A CB -1.709 17.380 19.000 0.149 0.000 0.827 19 A HN 0.461 nan 8.150 nan 0.000 0.450 20 G N -1.616 107.277 108.800 0.155 0.000 2.459 20 G HA2 -0.309 3.647 3.960 -0.006 0.000 0.217 20 G HA3 -0.309 3.647 3.960 -0.006 0.000 0.217 20 G C 1.529 176.479 174.900 0.083 0.000 1.183 20 G CA 1.005 46.183 45.100 0.129 0.000 0.776 20 G HN 0.686 nan 8.290 nan 0.000 0.552 21 W N 1.820 123.063 121.300 -0.096 0.000 2.335 21 W HA -0.160 4.495 4.660 -0.008 0.000 0.311 21 W C 2.106 178.562 176.519 -0.105 0.000 1.213 21 W CA 1.726 58.981 57.345 -0.150 0.000 1.274 21 W CB -0.357 28.994 29.460 -0.182 0.000 1.148 21 W HN 0.184 nan 8.180 nan 0.000 0.498 22 N N 0.723 119.492 118.700 0.115 0.000 2.106 22 N HA -0.135 4.602 4.740 -0.006 0.000 0.188 22 N C 1.956 177.422 175.510 -0.072 0.000 1.029 22 N CA 2.459 55.511 53.050 0.003 0.000 0.848 22 N CB -1.208 37.358 38.487 0.131 0.000 1.007 22 N HN 0.169 nan 8.380 nan 0.000 0.423 23 A N 0.646 123.487 122.820 0.036 0.000 1.908 23 A HA -0.000 4.316 4.320 -0.006 0.000 0.218 23 A C 2.285 179.787 177.584 -0.137 0.000 1.181 23 A CA 2.053 54.101 52.037 0.019 0.000 0.627 23 A CB -0.850 18.093 19.000 -0.095 0.000 0.818 23 A HN 0.333 nan 8.150 nan 0.000 0.445 24 A N -0.759 121.939 122.820 -0.203 0.000 1.898 24 A HA 0.002 4.318 4.320 -0.006 0.000 0.214 24 A C 2.407 179.770 177.584 -0.368 0.000 1.183 24 A CA 2.311 54.193 52.037 -0.259 0.000 0.622 24 A CB -0.987 17.860 19.000 -0.254 0.000 0.824 24 A HN 0.723 nan 8.150 nan 0.000 0.444 25 T N -2.659 111.561 114.554 -0.557 0.000 3.031 25 T HA 0.212 4.558 4.350 -0.006 0.000 0.254 25 T C 1.759 176.191 174.700 -0.448 0.000 1.060 25 T CA 0.881 62.617 62.100 -0.607 0.000 1.135 25 T CB -0.268 67.992 68.868 -1.014 0.000 0.896 25 T HN 0.228 nan 8.240 nan 0.000 0.472 26 L N -1.238 119.685 121.223 -0.499 0.000 2.168 26 L HA 0.253 4.589 4.340 -0.006 0.000 0.203 26 L C 1.487 177.892 176.870 -0.776 0.000 1.078 26 L CA 0.822 55.258 54.840 -0.673 0.000 0.780 26 L CB -0.207 41.286 42.059 -0.943 0.000 0.939 26 L HN 0.217 nan 8.230 nan 0.000 0.451 27 Y N -0.316 119.916 120.300 -0.113 0.000 2.584 27 Y HA 0.401 4.948 4.550 -0.005 0.000 0.254 27 Y C 1.561 177.388 175.900 -0.121 0.000 1.177 27 Y CA -0.223 57.824 58.100 -0.090 0.000 1.216 27 Y CB 0.065 38.500 38.460 -0.043 0.000 1.172 27 Y HN 0.189 nan 8.280 nan 0.000 0.529 28 G N 0.522 109.280 108.800 -0.071 0.000 2.179 28 G HA2 -0.279 3.677 3.960 -0.006 0.000 0.257 28 G HA3 -0.279 3.677 3.960 -0.006 0.000 0.257 28 G C 0.198 175.048 174.900 -0.084 0.000 1.010 28 G CA -0.013 45.041 45.100 -0.076 0.000 0.736 28 G HN 0.069 nan 8.290 nan 0.000 0.513 29 K N -0.133 120.185 120.400 -0.136 0.000 2.118 29 K HA 0.436 4.752 4.320 -0.006 0.000 0.264 29 K C 0.653 177.193 176.600 -0.099 0.000 1.000 29 K CA -0.763 55.408 56.287 -0.193 0.000 0.929 29 K CB 0.809 33.013 32.500 -0.493 0.000 1.021 29 K HN 0.249 nan 8.250 nan 0.000 0.463 30 R N 1.392 121.877 120.500 -0.025 0.000 2.221 30 R HA 0.350 4.686 4.340 -0.006 0.000 0.327 30 R C -0.936 175.544 176.300 0.300 0.000 1.033 30 R CA -0.456 55.706 56.100 0.104 0.000 0.887 30 R CB 0.709 31.034 30.300 0.043 0.000 1.057 30 R HN 0.238 nan 8.270 nan 0.000 0.455 31 V N 2.661 122.786 119.914 0.352 0.000 2.709 31 V HA 0.560 4.677 4.120 -0.006 0.000 0.308 31 V C -0.449 175.758 176.094 0.187 0.000 1.062 31 V CA -0.954 61.494 62.300 0.247 0.000 0.901 31 V CB 1.876 33.763 31.823 0.106 0.000 1.003 31 V HN 0.872 nan 8.190 nan 0.000 0.425 32 A N 4.014 126.682 122.820 -0.253 0.000 2.330 32 A HA 0.929 5.245 4.320 -0.006 0.000 0.327 32 A C -0.951 176.601 177.584 -0.054 0.000 1.155 32 A CA -0.574 51.232 52.037 -0.386 0.000 0.803 32 A CB 1.599 19.791 19.000 -1.347 0.000 1.208 32 A HN 0.794 nan 8.150 nan 0.000 0.477 33 V N 2.752 122.724 119.914 0.097 0.000 2.577 33 V HA 0.454 4.570 4.120 -0.006 0.000 0.303 33 V C -0.477 175.539 176.094 -0.131 0.000 1.042 33 V CA -0.581 61.773 62.300 0.090 0.000 0.872 33 V CB 1.523 33.560 31.823 0.358 0.000 0.998 33 V HN 0.682 nan 8.190 nan 0.000 0.423 34 V N 3.485 123.303 119.914 -0.159 0.000 2.483 34 V HA 0.666 4.783 4.120 -0.006 0.000 0.295 34 V C -0.448 175.483 176.094 -0.272 0.000 1.035 34 V CA -0.266 61.844 62.300 -0.316 0.000 0.896 34 V CB 1.834 33.534 31.823 -0.206 0.000 0.986 34 V HN 0.949 nan 8.190 nan 0.000 0.447 35 D N 1.300 121.469 120.400 -0.386 0.000 2.583 35 D HA 0.318 4.954 4.640 -0.006 0.000 0.248 35 D C 0.401 176.543 176.300 -0.263 0.000 1.209 35 D CA -0.322 53.577 54.000 -0.169 0.000 0.848 35 D CB 2.930 43.822 40.800 0.152 0.000 1.431 35 D HN 0.390 nan 8.370 nan 0.000 0.436 36 V N -1.081 118.594 119.914 -0.398 0.000 3.541 36 V HA 0.303 4.419 4.120 -0.006 0.000 0.267 36 V C 0.294 176.339 176.094 -0.082 0.000 1.213 36 V CA 0.831 62.776 62.300 -0.592 0.000 1.149 36 V CB -0.161 30.804 31.823 -1.430 0.000 0.822 36 V HN 0.365 nan 8.190 nan 0.000 0.462 37 Q N -0.198 119.643 119.800 0.068 0.000 2.426 37 Q HA 0.326 4.662 4.340 -0.006 0.000 0.278 37 Q C 0.278 176.350 176.000 0.120 0.000 1.007 37 Q CA 0.325 56.207 55.803 0.131 0.000 0.850 37 Q CB 2.142 30.953 28.738 0.122 0.000 1.427 37 Q HN 0.401 nan 8.270 nan 0.000 0.391 38 T N -3.081 111.499 114.554 0.043 0.000 3.057 38 T HA 0.104 4.450 4.350 -0.006 0.000 0.254 38 T C 0.764 175.406 174.700 -0.098 0.000 1.094 38 T CA 0.732 62.767 62.100 -0.108 0.000 1.088 38 T CB 0.121 68.899 68.868 -0.149 0.000 0.934 38 T HN 0.513 nan 8.240 nan 0.000 0.497 39 S N 0.671 116.338 115.700 -0.055 0.000 2.671 39 S HA 0.527 4.993 4.470 -0.006 0.000 0.277 39 S C -0.542 174.031 174.600 -0.045 0.000 1.165 39 S CA -1.113 57.059 58.200 -0.047 0.000 0.822 39 S CB 0.919 64.070 63.200 -0.081 0.000 1.150 39 S HN 0.709 nan 8.310 nan 0.000 0.479 40 H N -0.471 118.589 119.070 -0.016 0.000 2.745 40 H HA 0.690 5.242 4.556 -0.006 0.000 0.373 40 H C 0.711 176.024 175.328 -0.025 0.000 1.226 40 H CA 0.324 56.390 56.048 0.030 0.000 1.435 40 H CB -0.133 29.674 29.762 0.075 0.000 1.461 40 H HN 1.642 nan 8.280 nan 0.000 0.616 41 G N 0.278 109.051 108.800 -0.045 0.000 2.462 41 G HA2 -0.042 3.914 3.960 -0.006 0.000 0.685 41 G HA3 -0.042 3.914 3.960 -0.006 0.000 0.685 41 G C -3.117 171.292 174.900 -0.817 0.000 1.295 41 G CA -0.810 43.965 45.100 -0.541 0.000 0.941 41 G HN 0.765 nan 8.290 nan 0.000 0.554 42 P HA 0.224 nan 4.420 nan 0.000 0.269 42 P C -1.599 175.290 177.300 -0.685 0.000 1.215 42 P CA -0.788 61.645 63.100 -1.111 0.000 0.780 42 P CB 0.544 31.844 31.700 -0.668 0.000 0.898 43 P HA 0.070 nan 4.420 nan 0.000 0.230 43 P C 0.533 177.506 177.300 -0.545 0.000 1.168 43 P CA 1.048 63.712 63.100 -0.727 0.000 0.793 43 P CB 0.136 31.328 31.700 -0.846 0.000 0.851 44 F N -2.484 117.390 119.950 -0.126 0.000 2.721 44 F HA 0.229 4.752 4.527 -0.007 0.000 0.301 44 F C 1.262 177.295 175.800 0.389 0.000 1.096 44 F CA -0.670 57.456 58.000 0.209 0.000 1.308 44 F CB -0.663 38.436 39.000 0.165 0.000 1.086 44 F HN -0.249 nan 8.300 nan 0.000 0.587 45 Y N -1.337 119.148 120.300 0.308 0.000 2.734 45 Y HA -0.394 4.152 4.550 -0.007 0.000 0.481 45 Y C 1.581 177.635 175.900 0.257 0.000 1.145 45 Y CA 0.261 58.517 58.100 0.259 0.000 2.851 45 Y CB -1.910 36.729 38.460 0.298 0.000 1.011 45 Y HN 0.033 nan 8.280 nan 0.000 0.572 46 A N 1.424 124.527 122.820 0.471 0.000 2.272 46 A HA 0.849 5.165 4.320 -0.006 0.000 0.275 46 A C 0.459 178.179 177.584 0.226 0.000 1.096 46 A CA 0.665 52.889 52.037 0.313 0.000 0.822 46 A CB 0.740 19.939 19.000 0.332 0.000 1.088 46 A HN 1.512 nan 8.150 nan 0.000 0.495 47 A N -0.849 122.069 122.820 0.164 0.000 2.438 47 A HA 0.524 4.841 4.320 -0.006 0.000 0.301 47 A C -0.775 176.885 177.584 0.127 0.000 1.101 47 A CA -0.538 51.573 52.037 0.123 0.000 0.621 47 A CB -0.307 18.751 19.000 0.096 0.000 1.350 47 A HN 2.131 nan 8.150 nan 0.000 0.496 48 L N 1.119 122.405 121.223 0.105 0.000 2.720 48 L HA 0.334 4.671 4.340 -0.006 0.000 0.289 48 L C 1.390 178.365 176.870 0.174 0.000 1.232 48 L CA 2.909 57.810 54.840 0.101 0.000 0.915 48 L CB -0.435 41.534 42.059 -0.151 0.000 1.184 48 L HN 2.454 nan 8.230 nan 0.000 0.491 49 G N 1.867 110.847 108.800 0.300 0.000 2.234 49 G HA2 0.129 4.086 3.960 -0.006 0.000 0.235 49 G HA3 0.129 4.086 3.960 -0.006 0.000 0.235 49 G C 1.333 176.368 174.900 0.226 0.000 0.997 49 G CA 0.305 45.622 45.100 0.361 0.000 0.623 49 G HN 2.352 nan 8.290 nan 0.000 0.514 50 G N -1.794 107.115 108.800 0.180 0.000 2.685 50 G HA2 0.163 4.119 3.960 -0.006 0.000 0.387 50 G HA3 0.163 4.119 3.960 -0.006 0.000 0.387 50 G C 0.692 175.680 174.900 0.146 0.000 1.324 50 G CA 0.656 45.853 45.100 0.162 0.000 0.878 50 G HN 1.212 nan 8.290 nan 0.000 0.527 51 T N -0.508 114.140 114.554 0.157 0.000 2.708 51 T HA -0.191 4.156 4.350 -0.006 0.000 0.266 51 T C 2.510 177.269 174.700 0.098 0.000 1.037 51 T CA 2.561 64.752 62.100 0.152 0.000 1.146 51 T CB -0.579 68.402 68.868 0.188 0.000 0.865 51 T HN 1.048 nan 8.240 nan 0.000 0.435 52 c N 1.137 119.799 118.600 0.103 0.000 2.413 52 c HA -0.083 4.483 4.570 -0.006 0.000 0.277 52 c C 2.783 176.876 174.090 0.005 0.000 1.228 52 c CA 0.803 57.176 56.329 0.073 0.000 1.731 52 c CB -1.213 41.350 42.510 0.088 0.000 2.042 52 c HN 0.381 nan 8.230 nan 0.000 0.468 53 V N 1.629 121.551 119.914 0.013 0.000 2.358 53 V HA -0.163 3.953 4.120 -0.006 0.000 0.246 53 V C 2.310 178.335 176.094 -0.115 0.000 1.047 53 V CA 2.368 64.636 62.300 -0.052 0.000 1.035 53 V CB -0.673 31.132 31.823 -0.030 0.000 0.658 53 V HN 0.588 nan 8.190 nan 0.000 0.452 54 N N 0.034 118.696 118.700 -0.062 0.000 2.368 54 N HA 0.008 4.744 4.740 -0.006 0.000 0.178 54 N C 0.892 176.265 175.510 -0.229 0.000 1.021 54 N CA 1.727 54.739 53.050 -0.062 0.000 0.875 54 N CB 1.034 39.576 38.487 0.093 0.000 1.020 54 N HN 0.532 nan 8.380 nan 0.000 0.433 55 V N -3.544 116.202 119.914 -0.280 0.000 3.823 55 V HA 0.651 4.767 4.120 -0.006 0.000 0.594 55 V C 0.166 176.125 176.094 -0.225 0.000 1.832 55 V CA -0.297 61.655 62.300 -0.581 0.000 2.447 55 V CB 0.546 32.347 31.823 -0.038 0.000 1.172 55 V HN 0.166 nan 8.190 nan 0.000 0.640 56 G N -0.039 108.663 108.800 -0.164 0.000 3.255 56 G HA2 0.274 4.230 3.960 -0.006 0.000 0.161 56 G HA3 0.274 4.230 3.960 -0.006 0.000 0.161 56 G C 0.876 175.844 174.900 0.113 0.000 1.173 56 G CA 0.662 45.845 45.100 0.138 0.000 1.106 56 G HN 0.353 nan 8.290 nan 0.000 0.650 57 c N 0.213 118.881 118.600 0.114 0.000 2.385 57 c HA -0.024 4.542 4.570 -0.006 0.000 0.275 57 c C 2.829 176.901 174.090 -0.029 0.000 1.207 57 c CA 1.097 57.470 56.329 0.073 0.000 1.760 57 c CB -1.498 41.052 42.510 0.065 0.000 2.051 57 c HN 0.255 nan 8.230 nan 0.000 0.467 58 V N 2.767 122.640 119.914 -0.067 0.000 2.270 58 V HA -0.109 4.008 4.120 -0.006 0.000 0.245 58 V C 0.336 176.344 176.094 -0.144 0.000 1.043 58 V CA 2.547 64.778 62.300 -0.115 0.000 1.014 58 V CB -1.847 29.905 31.823 -0.118 0.000 0.645 58 V HN 0.398 nan 8.190 nan 0.000 0.447 59 P HA -0.176 nan 4.420 nan 0.000 0.219 59 P C 1.382 178.693 177.300 0.018 0.000 1.150 59 P CA 1.628 64.631 63.100 -0.162 0.000 0.814 59 P CB -0.038 31.418 31.700 -0.407 0.000 0.787 60 K N 0.967 121.440 120.400 0.122 0.000 2.097 60 K HA -0.137 4.179 4.320 -0.006 0.000 0.205 60 K C 2.164 178.669 176.600 -0.160 0.000 1.050 60 K CA 1.554 57.850 56.287 0.015 0.000 0.938 60 K CB -0.807 31.720 32.500 0.044 0.000 0.718 60 K HN -0.106 nan 8.250 nan 0.000 0.442 61 K N 1.224 121.510 120.400 -0.190 0.000 2.057 61 K HA 0.046 4.362 4.320 -0.006 0.000 0.206 61 K C 1.896 178.364 176.600 -0.221 0.000 1.050 61 K CA 1.365 57.458 56.287 -0.323 0.000 0.935 61 K CB -0.371 31.881 32.500 -0.413 0.000 0.715 61 K HN 0.271 nan 8.250 nan 0.000 0.439 62 L N 0.007 121.131 121.223 -0.164 0.000 2.042 62 L HA -0.203 4.133 4.340 -0.006 0.000 0.210 62 L C 2.527 179.333 176.870 -0.106 0.000 1.076 62 L CA 1.636 56.402 54.840 -0.122 0.000 0.749 62 L CB -0.438 41.546 42.059 -0.126 0.000 0.893 62 L HN 0.276 nan 8.230 nan 0.000 0.432 63 M N -1.315 118.198 119.600 -0.146 0.000 2.254 63 M HA -0.127 4.349 4.480 -0.006 0.000 0.265 63 M C 2.230 178.468 176.300 -0.104 0.000 1.066 63 M CA 1.008 56.204 55.300 -0.173 0.000 1.123 63 M CB -0.205 32.223 32.600 -0.287 0.000 1.388 63 M HN 0.026 nan 8.290 nan 0.000 0.425 64 V N -0.060 119.773 119.914 -0.136 0.000 2.358 64 V HA -0.215 3.901 4.120 -0.006 0.000 0.246 64 V C 2.288 178.365 176.094 -0.028 0.000 1.047 64 V CA 2.129 64.382 62.300 -0.079 0.000 1.035 64 V CB -0.964 30.810 31.823 -0.083 0.000 0.658 64 V HN 0.478 nan 8.190 nan 0.000 0.452 65 T N 0.387 114.913 114.554 -0.046 0.000 2.720 65 T HA -0.141 4.206 4.350 -0.006 0.000 0.268 65 T C 1.910 176.638 174.700 0.046 0.000 1.037 65 T CA 1.580 63.658 62.100 -0.038 0.000 1.144 65 T CB -0.640 68.220 68.868 -0.014 0.000 0.864 65 T HN 0.625 nan 8.240 nan 0.000 0.444 66 G N 1.226 110.136 108.800 0.184 0.000 2.433 66 G HA2 -0.078 3.878 3.960 -0.006 0.000 0.216 66 G HA3 -0.078 3.878 3.960 -0.006 0.000 0.216 66 G C 1.862 177.012 174.900 0.416 0.000 1.186 66 G CA 0.894 46.245 45.100 0.420 0.000 0.779 66 G HN 0.581 nan 8.290 nan 0.000 0.543 67 A N 0.276 123.299 122.820 0.338 0.000 1.978 67 A HA -0.118 4.198 4.320 -0.006 0.000 0.220 67 A C 2.309 179.898 177.584 0.009 0.000 1.170 67 A CA 2.034 54.186 52.037 0.191 0.000 0.636 67 A CB -0.450 18.649 19.000 0.165 0.000 0.810 67 A HN 0.467 nan 8.150 nan 0.000 0.448 68 Q N -1.697 118.048 119.800 -0.092 0.000 2.234 68 Q HA -0.209 4.127 4.340 -0.006 0.000 0.206 68 Q C 1.629 177.384 176.000 -0.408 0.000 0.980 68 Q CA 1.679 57.304 55.803 -0.296 0.000 0.869 68 Q CB -0.364 28.147 28.738 -0.378 0.000 0.912 68 Q HN 0.848 nan 8.270 nan 0.000 0.436 69 Y N -0.080 120.206 120.300 -0.024 0.000 2.256 69 Y HA -0.265 4.281 4.550 -0.007 0.000 0.288 69 Y C 2.188 178.078 175.900 -0.016 0.000 1.155 69 Y CA 1.274 59.395 58.100 0.034 0.000 1.203 69 Y CB -0.348 38.130 38.460 0.029 0.000 0.980 69 Y HN 0.202 nan 8.280 nan 0.000 0.530 70 M N 0.056 119.684 119.600 0.046 0.000 2.080 70 M HA -0.285 4.191 4.480 -0.006 0.000 0.260 70 M C 1.320 177.642 176.300 0.037 0.000 1.068 70 M CA 2.251 57.565 55.300 0.023 0.000 1.109 70 M CB -0.138 32.449 32.600 -0.021 0.000 1.342 70 M HN 0.141 nan 8.290 nan 0.000 0.405 71 D N -0.630 119.744 120.400 -0.043 0.000 2.097 71 D HA -0.179 4.457 4.640 -0.006 0.000 0.195 71 D C 1.943 178.251 176.300 0.013 0.000 0.989 71 D CA 1.351 55.326 54.000 -0.042 0.000 0.827 71 D CB -0.646 40.074 40.800 -0.133 0.000 0.966 71 D HN 0.458 nan 8.370 nan 0.000 0.456 72 H N 0.403 119.506 119.070 0.055 0.000 2.290 72 H HA -0.042 4.511 4.556 -0.006 0.000 0.298 72 H C 2.423 177.828 175.328 0.128 0.000 1.087 72 H CA 0.761 56.844 56.048 0.059 0.000 1.291 72 H CB -0.683 29.083 29.762 0.007 0.000 1.369 72 H HN 0.162 nan 8.280 nan 0.000 0.492 73 L N 0.168 121.562 121.223 0.283 0.000 2.013 73 L HA -0.223 4.114 4.340 -0.006 0.000 0.212 73 L C 2.827 179.921 176.870 0.372 0.000 1.073 73 L CA 1.669 56.708 54.840 0.332 0.000 0.753 73 L CB -0.498 41.742 42.059 0.302 0.000 0.890 73 L HN 0.194 nan 8.230 nan 0.000 0.432 74 R N 0.703 121.354 120.500 0.252 0.000 2.073 74 R HA -0.180 4.157 4.340 -0.006 0.000 0.234 74 R C 2.110 178.542 176.300 0.219 0.000 1.134 74 R CA 1.713 57.932 56.100 0.199 0.000 0.952 74 R CB -0.099 30.289 30.300 0.146 0.000 0.850 74 R HN 0.387 nan 8.270 nan 0.000 0.433 75 E N 0.225 120.572 120.200 0.246 0.000 2.204 75 E HA -0.142 4.204 4.350 -0.006 0.000 0.194 75 E C 1.918 178.757 176.600 0.398 0.000 0.989 75 E CA 1.239 57.820 56.400 0.301 0.000 0.824 75 E CB 0.035 29.927 29.700 0.320 0.000 0.756 75 E HN 0.485 nan 8.360 nan 0.000 0.477 76 S N 1.045 116.966 115.700 0.369 0.000 2.402 76 S HA -0.203 4.263 4.470 -0.006 0.000 0.233 76 S C 2.178 177.107 174.600 0.548 0.000 1.030 76 S CA 0.999 59.466 58.200 0.445 0.000 1.003 76 S CB -0.215 63.159 63.200 0.290 0.000 0.813 76 S HN 0.292 nan 8.310 nan 0.000 0.477 77 A N 1.823 124.856 122.820 0.355 0.000 1.898 77 A HA 0.238 4.554 4.320 -0.006 0.000 0.216 77 A C 2.448 180.130 177.584 0.163 0.000 1.181 77 A CA 1.424 53.594 52.037 0.221 0.000 0.620 77 A CB -1.783 17.265 19.000 0.080 0.000 0.819 77 A HN 0.709 nan 8.150 nan 0.000 0.442 78 G N -1.540 107.335 108.800 0.124 0.000 2.479 78 G HA2 -0.138 3.818 3.960 -0.006 0.000 0.220 78 G HA3 -0.138 3.818 3.960 -0.006 0.000 0.220 78 G C 0.948 175.695 174.900 -0.256 0.000 1.115 78 G CA 0.928 45.969 45.100 -0.099 0.000 0.757 78 G HN 0.491 nan 8.290 nan 0.000 0.560 79 F N 0.065 120.111 119.950 0.161 0.000 2.641 79 F HA 0.405 4.929 4.527 -0.005 0.000 0.302 79 F C 1.780 177.626 175.800 0.078 0.000 1.098 79 F CA 0.239 58.333 58.000 0.156 0.000 1.318 79 F CB 0.764 39.917 39.000 0.256 0.000 1.035 79 F HN 0.205 nan 8.300 nan 0.000 0.551 80 G N -1.084 107.807 108.800 0.153 0.000 2.163 80 G HA2 -0.273 3.683 3.960 -0.006 0.000 0.213 80 G HA3 -0.273 3.683 3.960 -0.006 0.000 0.213 80 G C -0.213 174.620 174.900 -0.112 0.000 0.991 80 G CA -0.814 44.265 45.100 -0.036 0.000 0.653 80 G HN 0.234 nan 8.290 nan 0.000 0.518 81 W N 1.360 122.752 121.300 0.155 0.000 2.266 81 W HA 0.633 5.290 4.660 -0.006 0.000 0.317 81 W C 0.653 177.259 176.519 0.145 0.000 1.310 81 W CA -0.211 57.249 57.345 0.191 0.000 1.207 81 W CB 0.649 30.274 29.460 0.274 0.000 1.199 81 W HN 0.138 nan 8.180 nan 0.000 0.544 82 E N 3.264 123.674 120.200 0.351 0.000 2.248 82 E HA 0.611 4.957 4.350 -0.006 0.000 0.267 82 E C -0.929 175.875 176.600 0.339 0.000 0.877 82 E CA -0.880 55.611 56.400 0.152 0.000 0.759 82 E CB 1.827 31.564 29.700 0.062 0.000 1.182 82 E HN 0.306 nan 8.360 nan 0.000 0.418 83 F N -1.165 118.861 119.950 0.127 0.000 2.926 83 F HA 0.333 4.857 4.527 -0.005 0.000 0.321 83 F C -1.177 174.667 175.800 0.074 0.000 1.168 83 F CA -1.441 56.620 58.000 0.101 0.000 0.890 83 F CB 0.579 39.647 39.000 0.113 0.000 1.357 83 F HN 0.152 nan 8.300 nan 0.000 0.468 84 D N 1.093 121.668 120.400 0.292 0.000 2.383 84 D HA 0.272 4.908 4.640 -0.006 0.000 0.245 84 D C 1.351 177.766 176.300 0.192 0.000 1.263 84 D CA 0.615 54.706 54.000 0.152 0.000 0.936 84 D CB 1.141 42.028 40.800 0.145 0.000 1.053 84 D HN 0.866 nan 8.370 nan 0.000 0.507 85 G N 2.588 111.391 108.800 0.006 0.000 2.475 85 G HA2 -0.287 3.669 3.960 -0.006 0.000 0.220 85 G HA3 -0.287 3.669 3.960 -0.006 0.000 0.220 85 G C 1.387 176.346 174.900 0.098 0.000 1.125 85 G CA 1.109 46.229 45.100 0.033 0.000 0.755 85 G HN 0.560 nan 8.290 nan 0.000 0.565 86 S N 0.467 116.211 115.700 0.072 0.000 2.527 86 S HA 0.018 4.484 4.470 -0.006 0.000 0.222 86 S C 2.157 176.803 174.600 0.076 0.000 0.985 86 S CA 1.113 59.350 58.200 0.062 0.000 0.921 86 S CB -0.088 63.136 63.200 0.041 0.000 0.772 86 S HN 0.514 nan 8.310 nan 0.000 0.529 87 S N 0.609 116.371 115.700 0.104 0.000 2.603 87 S HA 0.209 4.675 4.470 -0.006 0.000 0.220 87 S C 0.446 175.101 174.600 0.091 0.000 0.967 87 S CA -0.352 57.903 58.200 0.093 0.000 0.920 87 S CB -0.485 62.773 63.200 0.098 0.000 0.773 87 S HN 0.277 nan 8.310 nan 0.000 0.529 88 V N 2.916 122.900 119.914 0.116 0.000 2.488 88 V HA 0.492 4.608 4.120 -0.006 0.000 0.277 88 V C -0.032 176.099 176.094 0.063 0.000 1.046 88 V CA -0.231 62.130 62.300 0.102 0.000 0.986 88 V CB 0.597 32.514 31.823 0.157 0.000 0.989 88 V HN 0.671 nan 8.190 nan 0.000 0.475 89 K N 4.453 124.878 120.400 0.041 0.000 2.498 89 K HA 0.814 5.130 4.320 -0.006 0.000 0.254 89 K C -1.040 175.579 176.600 0.031 0.000 0.933 89 K CA -0.458 55.852 56.287 0.039 0.000 0.806 89 K CB 2.110 34.640 32.500 0.050 0.000 1.301 89 K HN 0.648 nan 8.250 nan 0.000 0.432 90 A N 3.222 126.061 122.820 0.032 0.000 2.280 90 A HA 0.336 4.652 4.320 -0.006 0.000 0.320 90 A C -0.849 176.882 177.584 0.244 0.000 1.366 90 A CA -0.704 51.348 52.037 0.025 0.000 0.938 90 A CB 0.037 18.895 19.000 -0.236 0.000 1.157 90 A HN 0.709 nan 8.150 nan 0.000 0.536 91 N N 3.333 122.198 118.700 0.274 0.000 2.521 91 N HA -0.022 4.714 4.740 -0.006 0.000 0.236 91 N C 0.867 176.612 175.510 0.392 0.000 1.067 91 N CA -0.660 52.561 53.050 0.284 0.000 0.939 91 N CB 0.125 38.706 38.487 0.156 0.000 1.201 91 N HN 0.873 nan 8.380 nan 0.000 0.511 92 W N 4.820 126.262 121.300 0.236 0.000 2.338 92 W HA -0.188 4.469 4.660 -0.005 0.000 0.304 92 W C 0.774 177.294 176.519 0.002 0.000 1.212 92 W CA 1.100 58.482 57.345 0.062 0.000 1.264 92 W CB 0.266 29.779 29.460 0.087 0.000 1.142 92 W HN 0.508 nan 8.180 nan 0.000 0.512 93 K N 0.397 120.903 120.400 0.177 0.000 2.063 93 K HA -0.261 4.055 4.320 -0.006 0.000 0.208 93 K C 2.074 178.632 176.600 -0.072 0.000 1.048 93 K CA 2.135 58.436 56.287 0.023 0.000 0.928 93 K CB -0.420 32.144 32.500 0.107 0.000 0.713 93 K HN 0.100 nan 8.250 nan 0.000 0.442 94 K N 1.257 121.644 120.400 -0.022 0.000 2.103 94 K HA -0.130 4.186 4.320 -0.006 0.000 0.204 94 K C 2.121 178.654 176.600 -0.112 0.000 1.052 94 K CA 0.758 57.019 56.287 -0.044 0.000 0.945 94 K CB -0.092 32.412 32.500 0.007 0.000 0.722 94 K HN -0.008 nan 8.250 nan 0.000 0.443 95 L N 1.215 122.337 121.223 -0.167 0.000 2.017 95 L HA -0.123 4.213 4.340 -0.006 0.000 0.208 95 L C 1.954 178.594 176.870 -0.382 0.000 1.073 95 L CA 1.523 56.200 54.840 -0.271 0.000 0.745 95 L CB -0.348 41.434 42.059 -0.463 0.000 0.894 95 L HN 0.233 nan 8.230 nan 0.000 0.432 96 I N 0.108 120.358 120.570 -0.533 0.000 2.315 96 I HA -0.171 3.995 4.170 -0.006 0.000 0.248 96 I C 2.680 178.647 176.117 -0.251 0.000 1.117 96 I CA 1.303 62.311 61.300 -0.488 0.000 1.404 96 I CB -2.068 35.592 38.000 -0.566 0.000 1.071 96 I HN 0.366 nan 8.210 nan 0.000 0.419 97 A N 1.007 123.721 122.820 -0.177 0.000 1.877 97 A HA -0.089 4.227 4.320 -0.006 0.000 0.216 97 A C 2.592 180.120 177.584 -0.093 0.000 1.186 97 A CA 1.928 53.912 52.037 -0.088 0.000 0.620 97 A CB -0.782 18.186 19.000 -0.053 0.000 0.822 97 A HN 0.388 nan 8.150 nan 0.000 0.443 98 A N -0.142 122.608 122.820 -0.115 0.000 1.902 98 A HA -0.173 4.144 4.320 -0.006 0.000 0.217 98 A C 2.189 179.694 177.584 -0.132 0.000 1.181 98 A CA 2.022 53.995 52.037 -0.106 0.000 0.623 98 A CB -0.435 18.506 19.000 -0.099 0.000 0.818 98 A HN 0.429 nan 8.150 nan 0.000 0.443 99 K N 0.050 120.343 120.400 -0.179 0.000 2.026 99 K HA -0.185 4.131 4.320 -0.006 0.000 0.208 99 K C 1.539 177.992 176.600 -0.244 0.000 1.048 99 K CA 1.780 57.939 56.287 -0.214 0.000 0.929 99 K CB -0.502 31.846 32.500 -0.254 0.000 0.713 99 K HN 0.390 nan 8.250 nan 0.000 0.439 100 N N 1.573 120.152 118.700 -0.202 0.000 2.149 100 N HA -0.189 4.547 4.740 -0.006 0.000 0.188 100 N C 1.725 177.185 175.510 -0.084 0.000 1.019 100 N CA 1.337 54.292 53.050 -0.159 0.000 0.857 100 N CB -0.175 38.366 38.487 0.090 0.000 0.997 100 N HN 0.476 nan 8.380 nan 0.000 0.426 101 E N 0.223 120.385 120.200 -0.064 0.000 2.107 101 E HA -0.009 4.337 4.350 -0.006 0.000 0.191 101 E C 1.809 178.362 176.600 -0.079 0.000 0.982 101 E CA 0.797 57.173 56.400 -0.040 0.000 0.809 101 E CB -0.008 29.668 29.700 -0.040 0.000 0.756 101 E HN 0.305 nan 8.360 nan 0.000 0.459 102 A N 0.546 123.294 122.820 -0.120 0.000 1.877 102 A HA -0.141 4.175 4.320 -0.006 0.000 0.216 102 A C 2.374 179.855 177.584 -0.171 0.000 1.186 102 A CA 1.526 53.482 52.037 -0.135 0.000 0.620 102 A CB -0.666 18.248 19.000 -0.143 0.000 0.822 102 A HN 0.228 nan 8.150 nan 0.000 0.443 103 V N -0.384 119.385 119.914 -0.243 0.000 2.427 103 V HA -0.188 3.928 4.120 -0.006 0.000 0.248 103 V C 2.464 178.464 176.094 -0.157 0.000 1.051 103 V CA 1.754 63.881 62.300 -0.288 0.000 1.048 103 V CB -0.737 30.769 31.823 -0.529 0.000 0.666 103 V HN 0.572 nan 8.190 nan 0.000 0.456 104 L N 0.510 121.705 121.223 -0.046 0.000 2.046 104 L HA -0.176 4.161 4.340 -0.006 0.000 0.208 104 L C 2.057 178.904 176.870 -0.038 0.000 1.077 104 L CA 2.046 56.928 54.840 0.070 0.000 0.747 104 L CB -0.930 41.205 42.059 0.126 0.000 0.896 104 L HN 0.284 nan 8.230 nan 0.000 0.432 105 D N -0.332 120.026 120.400 -0.070 0.000 2.149 105 D HA -0.197 4.440 4.640 -0.006 0.000 0.198 105 D C 2.301 178.518 176.300 -0.138 0.000 0.990 105 D CA 1.775 55.724 54.000 -0.085 0.000 0.839 105 D CB -0.114 40.637 40.800 -0.082 0.000 0.948 105 D HN 0.454 nan 8.370 nan 0.000 0.460 106 I N 0.975 121.418 120.570 -0.212 0.000 2.252 106 I HA -0.228 3.938 4.170 -0.006 0.000 0.245 106 I C 1.979 177.796 176.117 -0.500 0.000 1.102 106 I CA 0.639 61.695 61.300 -0.406 0.000 1.385 106 I CB -0.225 37.492 38.000 -0.473 0.000 1.064 106 I HN -0.051 nan 8.210 nan 0.000 0.414 107 N N 1.326 119.853 118.700 -0.289 0.000 2.104 107 N HA -0.195 4.541 4.740 -0.006 0.000 0.190 107 N C 1.803 177.246 175.510 -0.112 0.000 1.024 107 N CA 1.468 54.409 53.050 -0.183 0.000 0.853 107 N CB -0.264 38.181 38.487 -0.069 0.000 1.008 107 N HN 0.398 nan 8.380 nan 0.000 0.424 108 K N 0.355 120.702 120.400 -0.088 0.000 2.103 108 K HA 0.037 4.353 4.320 -0.006 0.000 0.204 108 K C 2.230 178.828 176.600 -0.004 0.000 1.052 108 K CA 0.691 56.952 56.287 -0.044 0.000 0.945 108 K CB -0.124 32.353 32.500 -0.038 0.000 0.722 108 K HN 0.023 nan 8.250 nan 0.000 0.443 109 S N 0.016 115.706 115.700 -0.017 0.000 2.356 109 S HA -0.172 4.294 4.470 -0.006 0.000 0.223 109 S C 1.852 176.581 174.600 0.215 0.000 1.032 109 S CA 1.168 59.402 58.200 0.057 0.000 1.005 109 S CB -0.235 62.971 63.200 0.009 0.000 0.867 109 S HN 0.249 nan 8.310 nan 0.000 0.449 110 Y N 1.773 122.066 120.300 -0.012 0.000 2.181 110 Y HA 0.024 4.569 4.550 -0.008 0.000 0.288 110 Y C 2.585 178.562 175.900 0.129 0.000 1.146 110 Y CA 1.014 59.137 58.100 0.040 0.000 1.164 110 Y CB -1.315 37.175 38.460 0.050 0.000 0.982 110 Y HN 0.534 nan 8.280 nan 0.000 0.515 111 E N -0.256 120.059 120.200 0.190 0.000 2.058 111 E HA -0.164 4.182 4.350 -0.006 0.000 0.194 111 E C 2.561 179.249 176.600 0.147 0.000 0.997 111 E CA 1.305 57.749 56.400 0.074 0.000 0.801 111 E CB -0.566 29.088 29.700 -0.078 0.000 0.746 111 E HN 0.423 nan 8.360 nan 0.000 0.450 112 G N 0.777 109.642 108.800 0.110 0.000 2.469 112 G HA2 -0.295 3.662 3.960 -0.006 0.000 0.220 112 G HA3 -0.295 3.662 3.960 -0.006 0.000 0.220 112 G C 1.551 176.524 174.900 0.122 0.000 1.136 112 G CA 1.159 46.317 45.100 0.096 0.000 0.759 112 G HN 0.240 nan 8.290 nan 0.000 0.562 113 M N -0.712 118.971 119.600 0.138 0.000 2.175 113 M HA 0.134 4.610 4.480 -0.006 0.000 0.264 113 M C 2.246 178.608 176.300 0.103 0.000 1.063 113 M CA 0.947 56.312 55.300 0.109 0.000 1.119 113 M CB -0.252 32.358 32.600 0.016 0.000 1.377 113 M HN 0.231 nan 8.290 nan 0.000 0.415 114 F N 1.004 121.008 119.950 0.090 0.000 2.075 114 F HA -0.244 4.280 4.527 -0.006 0.000 0.297 114 F C 2.271 178.106 175.800 0.058 0.000 1.113 114 F CA 1.377 59.428 58.000 0.085 0.000 1.218 114 F CB -0.721 38.319 39.000 0.065 0.000 0.984 114 F HN 0.205 nan 8.300 nan 0.000 0.472 115 N N 0.155 118.999 118.700 0.239 0.000 2.192 115 N HA -0.183 4.554 4.740 -0.006 0.000 0.188 115 N C 1.119 176.685 175.510 0.094 0.000 1.013 115 N CA 1.680 54.811 53.050 0.135 0.000 0.863 115 N CB -0.571 37.971 38.487 0.092 0.000 0.990 115 N HN 0.299 nan 8.380 nan 0.000 0.430 116 D N -0.652 119.800 120.400 0.086 0.000 2.350 116 D HA 0.055 4.691 4.640 -0.006 0.000 0.213 116 D C -0.134 176.185 176.300 0.030 0.000 1.031 116 D CA 0.511 54.545 54.000 0.056 0.000 0.861 116 D CB 0.193 41.031 40.800 0.062 0.000 0.926 116 D HN 0.058 nan 8.370 nan 0.000 0.520 117 T N 2.093 116.659 114.554 0.020 0.000 2.770 117 T HA 0.196 4.542 4.350 -0.006 0.000 0.297 117 T C 0.076 174.743 174.700 -0.055 0.000 0.997 117 T CA -0.724 61.340 62.100 -0.060 0.000 0.949 117 T CB 1.843 70.631 68.868 -0.133 0.000 0.941 117 T HN -0.166 nan 8.240 nan 0.000 0.457 118 E N 1.577 121.737 120.200 -0.066 0.000 2.373 118 E HA 0.346 4.693 4.350 -0.006 0.000 0.267 118 E C 1.363 177.934 176.600 -0.049 0.000 1.032 118 E CA 0.478 56.856 56.400 -0.037 0.000 0.889 118 E CB 0.853 30.530 29.700 -0.037 0.000 0.984 118 E HN 1.005 nan 8.360 nan 0.000 0.425 119 G N 2.019 110.824 108.800 0.007 0.000 2.162 119 G HA2 -0.274 3.683 3.960 -0.006 0.000 0.260 119 G HA3 -0.274 3.683 3.960 -0.006 0.000 0.260 119 G C -0.187 174.759 174.900 0.077 0.000 0.976 119 G CA 0.410 45.529 45.100 0.032 0.000 0.655 119 G HN 0.346 nan 8.290 nan 0.000 0.533 120 L N 1.407 122.680 121.223 0.083 0.000 2.388 120 L HA 0.710 5.046 4.340 -0.006 0.000 0.267 120 L C -1.392 175.678 176.870 0.334 0.000 0.995 120 L CA -1.244 53.664 54.840 0.114 0.000 0.864 120 L CB 1.493 43.480 42.059 -0.121 0.000 1.216 120 L HN 0.039 nan 8.230 nan 0.000 0.430 121 D N 3.910 124.556 120.400 0.411 0.000 2.362 121 D HA 0.333 4.969 4.640 -0.006 0.000 0.247 121 D C -1.133 175.245 176.300 0.130 0.000 1.050 121 D CA 0.082 54.251 54.000 0.282 0.000 0.839 121 D CB 2.125 43.049 40.800 0.207 0.000 1.283 121 D HN 0.301 nan 8.370 nan 0.000 0.477 122 F N 1.997 121.699 119.950 -0.412 0.000 2.421 122 F HA 0.534 5.058 4.527 -0.005 0.000 0.337 122 F C -1.252 174.061 175.800 -0.812 0.000 1.105 122 F CA -0.777 56.772 58.000 -0.751 0.000 1.049 122 F CB 0.629 38.963 39.000 -1.110 0.000 1.139 122 F HN 0.099 nan 8.300 nan 0.000 0.479 123 F N 6.840 126.168 119.950 -1.037 0.000 2.477 123 F HA 0.422 4.946 4.527 -0.005 0.000 0.335 123 F C -0.780 174.382 175.800 -1.064 0.000 1.130 123 F CA -1.004 56.541 58.000 -0.759 0.000 0.948 123 F CB 1.570 40.312 39.000 -0.430 0.000 1.154 123 F HN 0.292 nan 8.300 nan 0.000 0.439 124 L N 3.827 124.790 121.223 -0.434 0.000 2.319 124 L HA 0.836 5.172 4.340 -0.006 0.000 0.280 124 L C 0.153 176.956 176.870 -0.112 0.000 1.099 124 L CA 0.586 55.302 54.840 -0.207 0.000 0.828 124 L CB 0.131 42.235 42.059 0.076 0.000 1.150 124 L HN 0.780 nan 8.230 nan 0.000 0.442 125 G N 3.195 111.886 108.800 -0.183 0.000 2.339 125 G HA2 -0.017 3.939 3.960 -0.006 0.000 0.275 125 G HA3 -0.017 3.939 3.960 -0.006 0.000 0.275 125 G C -2.099 172.616 174.900 -0.309 0.000 1.323 125 G CA -0.738 44.296 45.100 -0.111 0.000 0.927 125 G HN 0.483 nan 8.290 nan 0.000 0.486 126 W N 1.352 122.576 121.300 -0.127 0.000 2.291 126 W HA 0.579 5.236 4.660 -0.005 0.000 0.312 126 W C 0.780 177.225 176.519 -0.123 0.000 1.061 126 W CA 0.216 57.471 57.345 -0.150 0.000 1.296 126 W CB 1.552 30.906 29.460 -0.177 0.000 1.223 126 W HN 0.874 nan 8.180 nan 0.000 0.421 127 G N 2.362 111.170 108.800 0.013 0.000 2.380 127 G HA2 0.481 4.437 3.960 -0.006 0.000 0.262 127 G HA3 0.481 4.437 3.960 -0.006 0.000 0.262 127 G C -0.338 174.575 174.900 0.022 0.000 1.243 127 G CA -0.338 44.752 45.100 -0.017 0.000 0.865 127 G HN 0.413 nan 8.290 nan 0.000 0.513 128 S N 1.102 116.804 115.700 0.003 0.000 2.595 128 S HA 0.614 5.081 4.470 -0.006 0.000 0.281 128 S C -1.005 173.585 174.600 -0.016 0.000 1.117 128 S CA -0.985 57.215 58.200 0.001 0.000 0.873 128 S CB 1.727 64.928 63.200 0.002 0.000 1.108 128 S HN 0.312 nan 8.310 nan 0.000 0.477 129 L N 2.241 123.456 121.223 -0.015 0.000 2.315 129 L HA 0.460 4.796 4.340 -0.006 0.000 0.283 129 L C 1.528 178.384 176.870 -0.022 0.000 1.089 129 L CA 0.333 55.161 54.840 -0.020 0.000 0.833 129 L CB 0.306 42.353 42.059 -0.019 0.000 1.170 129 L HN 1.049 nan 8.230 nan 0.000 0.442 130 E N 1.512 121.697 120.200 -0.026 0.000 2.086 130 E HA -0.004 4.342 4.350 -0.006 0.000 0.190 130 E C 0.234 176.819 176.600 -0.025 0.000 0.975 130 E CA 0.861 57.246 56.400 -0.026 0.000 0.813 130 E CB 0.519 30.203 29.700 -0.028 0.000 0.768 130 E HN 0.775 nan 8.360 nan 0.000 0.457 131 S N -1.637 114.047 115.700 -0.026 0.000 2.843 131 S HA 0.204 4.670 4.470 -0.006 0.000 0.301 131 S C 0.376 174.957 174.600 -0.031 0.000 1.206 131 S CA -0.710 57.473 58.200 -0.028 0.000 0.875 131 S CB 0.926 64.110 63.200 -0.027 0.000 1.248 131 S HN 0.083 nan 8.310 nan 0.000 0.555 132 K N 0.461 120.839 120.400 -0.036 0.000 2.209 132 K HA 0.031 4.347 4.320 -0.006 0.000 0.204 132 K C 0.155 176.726 176.600 -0.049 0.000 1.048 132 K CA 1.784 58.043 56.287 -0.047 0.000 0.940 132 K CB -0.360 32.110 32.500 -0.050 0.000 0.729 132 K HN 0.588 nan 8.250 nan 0.000 0.451 133 N N -0.447 118.231 118.700 -0.037 0.000 2.377 133 N HA 0.138 4.874 4.740 -0.006 0.000 0.259 133 N C -1.957 173.547 175.510 -0.011 0.000 1.332 133 N CA -0.310 52.724 53.050 -0.027 0.000 0.877 133 N CB 2.056 40.523 38.487 -0.033 0.000 1.299 133 N HN -0.161 nan 8.380 nan 0.000 0.501 134 V N 1.108 121.011 119.914 -0.017 0.000 2.419 134 V HA 0.385 4.501 4.120 -0.006 0.000 0.287 134 V C -0.361 175.716 176.094 -0.027 0.000 1.017 134 V CA -0.820 61.469 62.300 -0.019 0.000 0.844 134 V CB 1.792 33.601 31.823 -0.023 0.000 1.011 134 V HN -0.180 nan 8.190 nan 0.000 0.429 135 V N 5.753 125.646 119.914 -0.036 0.000 2.439 135 V HA 0.539 4.655 4.120 -0.006 0.000 0.282 135 V C 0.096 176.144 176.094 -0.077 0.000 1.039 135 V CA -0.480 61.786 62.300 -0.056 0.000 0.913 135 V CB 2.027 33.803 31.823 -0.077 0.000 0.983 135 V HN 0.740 nan 8.190 nan 0.000 0.460 136 V N 3.714 123.590 119.914 -0.063 0.000 2.547 136 V HA 0.759 4.875 4.120 -0.006 0.000 0.299 136 V C -0.412 175.643 176.094 -0.066 0.000 1.040 136 V CA -0.668 61.593 62.300 -0.065 0.000 0.913 136 V CB 1.745 33.544 31.823 -0.039 0.000 0.992 136 V HN 0.458 nan 8.190 nan 0.000 0.449 137 V N 5.055 124.923 119.914 -0.076 0.000 2.357 137 V HA 0.571 4.687 4.120 -0.006 0.000 0.284 137 V C 0.299 176.396 176.094 0.005 0.000 1.018 137 V CA -0.469 61.801 62.300 -0.051 0.000 0.841 137 V CB 1.013 32.771 31.823 -0.108 0.000 0.991 137 V HN 0.970 nan 8.190 nan 0.000 0.437 138 R N 2.517 123.052 120.500 0.059 0.000 2.720 138 R HA 0.445 4.781 4.340 -0.006 0.000 0.272 138 R C 0.744 177.131 176.300 0.145 0.000 0.991 138 R CA -0.824 55.320 56.100 0.073 0.000 1.010 138 R CB 1.729 32.052 30.300 0.039 0.000 1.141 138 R HN 0.619 nan 8.270 nan 0.000 0.494 139 E N 0.510 120.773 120.200 0.104 0.000 2.085 139 E HA -0.124 4.223 4.350 -0.006 0.000 0.194 139 E C 0.866 177.573 176.600 0.178 0.000 0.994 139 E CA 1.762 58.244 56.400 0.138 0.000 0.801 139 E CB 0.087 29.834 29.700 0.078 0.000 0.743 139 E HN 0.705 nan 8.360 nan 0.000 0.453 140 T N -4.322 110.208 114.554 -0.040 0.000 2.864 140 T HA 0.618 4.964 4.350 -0.006 0.000 0.289 140 T C 0.885 175.001 174.700 -0.973 0.000 1.082 140 T CA -0.224 61.616 62.100 -0.434 0.000 1.009 140 T CB 1.740 70.437 68.868 -0.285 0.000 1.234 140 T HN -0.069 nan 8.240 nan 0.000 0.526 141 A N -0.026 121.717 122.820 -1.795 0.000 2.178 141 A HA 0.097 4.413 4.320 -0.006 0.000 0.218 141 A C 1.021 178.250 177.584 -0.593 0.000 1.157 141 A CA 0.862 52.048 52.037 -1.419 0.000 0.689 141 A CB -0.958 16.991 19.000 -1.753 0.000 0.787 141 A HN 0.844 nan 8.150 nan 0.000 0.465 142 D N 0.450 120.580 120.400 -0.451 0.000 2.358 142 D HA 0.095 4.732 4.640 -0.006 0.000 0.258 142 D C -1.408 174.786 176.300 -0.177 0.000 1.223 142 D CA -1.956 51.894 54.000 -0.250 0.000 0.886 142 D CB 1.038 41.723 40.800 -0.191 0.000 1.120 142 D HN 0.145 nan 8.370 nan 0.000 0.482 143 P HA -0.134 nan 4.420 nan 0.000 0.229 143 P C 0.336 177.596 177.300 -0.067 0.000 1.150 143 P CA 0.853 63.900 63.100 -0.087 0.000 0.765 143 P CB 0.293 31.951 31.700 -0.071 0.000 0.783 144 K N -0.132 120.226 120.400 -0.070 0.000 2.358 144 K HA 0.097 4.413 4.320 -0.006 0.000 0.197 144 K C 1.105 177.677 176.600 -0.047 0.000 1.025 144 K CA -0.107 56.149 56.287 -0.051 0.000 1.104 144 K CB 0.299 32.773 32.500 -0.045 0.000 0.855 144 K HN 0.169 nan 8.250 nan 0.000 0.531 145 S N 0.675 116.338 115.700 -0.062 0.000 2.589 145 S HA 0.345 4.811 4.470 -0.006 0.000 0.265 145 S C 0.441 175.027 174.600 -0.023 0.000 1.342 145 S CA -0.915 57.257 58.200 -0.047 0.000 1.005 145 S CB 1.061 64.218 63.200 -0.071 0.000 0.909 145 S HN 0.184 nan 8.310 nan 0.000 0.555 146 A N 1.796 124.612 122.820 -0.006 0.000 2.520 146 A HA 0.417 4.733 4.320 -0.006 0.000 0.245 146 A C 0.277 177.868 177.584 0.011 0.000 1.072 146 A CA -0.630 51.409 52.037 0.004 0.000 0.761 146 A CB -0.424 18.584 19.000 0.014 0.000 1.004 146 A HN 0.972 nan 8.150 nan 0.000 0.499 147 V N 4.516 124.433 119.914 0.005 0.000 2.493 147 V HA -0.041 4.075 4.120 -0.006 0.000 0.292 147 V C 1.185 177.290 176.094 0.018 0.000 1.016 147 V CA 0.699 63.002 62.300 0.005 0.000 1.097 147 V CB 0.211 32.030 31.823 -0.006 0.000 0.947 147 V HN 1.058 nan 8.190 nan 0.000 0.479 148 K N 3.048 123.463 120.400 0.025 0.000 2.128 148 K HA 0.164 4.481 4.320 -0.006 0.000 0.202 148 K C 0.302 176.920 176.600 0.030 0.000 1.050 148 K CA 0.636 56.947 56.287 0.039 0.000 0.966 148 K CB 0.315 32.849 32.500 0.057 0.000 0.759 148 K HN 0.606 nan 8.250 nan 0.000 0.454 149 E N 0.734 120.928 120.200 -0.010 0.000 2.308 149 E HA 0.203 4.550 4.350 -0.006 0.000 0.275 149 E C -1.442 175.107 176.600 -0.085 0.000 0.890 149 E CA -0.524 55.844 56.400 -0.053 0.000 0.754 149 E CB 2.614 32.222 29.700 -0.152 0.000 1.207 149 E HN 0.028 nan 8.360 nan 0.000 0.426 150 R N 3.817 124.279 120.500 -0.063 0.000 2.288 150 R HA 0.451 4.787 4.340 -0.006 0.000 0.326 150 R C -0.962 175.304 176.300 -0.058 0.000 0.959 150 R CA -0.411 55.651 56.100 -0.062 0.000 0.834 150 R CB 0.377 30.653 30.300 -0.040 0.000 1.157 150 R HN 0.400 nan 8.270 nan 0.000 0.470 151 L N 3.811 124.989 121.223 -0.075 0.000 2.307 151 L HA 0.388 4.724 4.340 -0.006 0.000 0.284 151 L C 0.112 177.011 176.870 0.048 0.000 1.023 151 L CA -0.760 54.075 54.840 -0.009 0.000 0.810 151 L CB 1.777 43.770 42.059 -0.110 0.000 1.231 151 L HN 0.572 nan 8.230 nan 0.000 0.423 152 Q N 2.480 122.338 119.800 0.095 0.000 2.304 152 Q HA 0.549 4.886 4.340 -0.006 0.000 0.260 152 Q C -0.796 175.293 176.000 0.148 0.000 0.965 152 Q CA -0.358 55.491 55.803 0.077 0.000 0.898 152 Q CB 1.244 30.003 28.738 0.036 0.000 1.196 152 Q HN 0.762 nan 8.270 nan 0.000 0.402 153 A N 4.511 127.390 122.820 0.099 0.000 2.375 153 A HA 0.262 4.578 4.320 -0.006 0.000 0.291 153 A C -0.442 177.187 177.584 0.075 0.000 1.160 153 A CA -0.750 51.368 52.037 0.135 0.000 0.747 153 A CB 1.096 20.154 19.000 0.097 0.000 1.170 153 A HN 0.920 nan 8.150 nan 0.000 0.458 154 D N 0.898 121.355 120.400 0.096 0.000 2.104 154 D HA -0.058 4.578 4.640 -0.006 0.000 0.194 154 D C 0.314 176.440 176.300 -0.290 0.000 0.994 154 D CA 1.820 55.785 54.000 -0.059 0.000 0.830 154 D CB 0.019 40.844 40.800 0.042 0.000 0.959 154 D HN 0.706 nan 8.370 nan 0.000 0.452 155 H N -1.009 118.197 119.070 0.226 0.000 2.622 155 H HA 0.513 5.066 4.556 -0.006 0.000 0.363 155 H C -0.191 175.270 175.328 0.222 0.000 1.151 155 H CA -0.599 55.606 56.048 0.261 0.000 1.184 155 H CB 2.229 32.266 29.762 0.458 0.000 1.643 155 H HN -0.112 nan 8.280 nan 0.000 0.531 156 I N 3.252 123.978 120.570 0.261 0.000 2.499 156 I HA 0.087 4.253 4.170 -0.006 0.000 0.288 156 I C -0.940 175.316 176.117 0.232 0.000 1.048 156 I CA -0.844 60.558 61.300 0.170 0.000 1.062 156 I CB 2.479 40.504 38.000 0.041 0.000 1.238 156 I HN 0.122 nan 8.210 nan 0.000 0.426 157 L N 7.938 129.306 121.223 0.242 0.000 2.305 157 L HA 0.520 4.857 4.340 -0.006 0.000 0.284 157 L C -0.975 175.985 176.870 0.151 0.000 1.013 157 L CA -0.252 54.737 54.840 0.248 0.000 0.819 157 L CB 1.256 43.467 42.059 0.252 0.000 1.227 157 L HN 0.417 nan 8.230 nan 0.000 0.417 158 L N 6.192 127.497 121.223 0.135 0.000 2.260 158 L HA 0.654 4.990 4.340 -0.006 0.000 0.289 158 L C 0.465 177.400 176.870 0.108 0.000 1.057 158 L CA -0.215 54.684 54.840 0.097 0.000 0.811 158 L CB 1.122 43.227 42.059 0.076 0.000 1.184 158 L HN 0.864 nan 8.230 nan 0.000 0.429 159 A N 1.100 123.978 122.820 0.097 0.000 3.106 159 A HA 0.228 4.544 4.320 -0.006 0.000 0.227 159 A C 0.841 178.482 177.584 0.096 0.000 0.920 159 A CA -0.199 51.902 52.037 0.106 0.000 1.088 159 A CB -0.091 18.981 19.000 0.119 0.000 1.233 159 A HN 0.703 nan 8.150 nan 0.000 0.503 160 T N -2.978 111.626 114.554 0.084 0.000 3.129 160 T HA 0.444 4.791 4.350 -0.006 0.000 0.251 160 T C 1.364 176.132 174.700 0.114 0.000 1.117 160 T CA 1.040 63.185 62.100 0.074 0.000 1.034 160 T CB -0.203 68.694 68.868 0.047 0.000 0.968 160 T HN 2.038 nan 8.240 nan 0.000 0.526 161 G N 1.837 110.715 108.800 0.131 0.000 2.552 161 G HA2 -0.133 3.823 3.960 -0.006 0.000 0.265 161 G HA3 -0.133 3.823 3.960 -0.006 0.000 0.265 161 G C 0.034 175.046 174.900 0.188 0.000 1.234 161 G CA 0.108 45.306 45.100 0.163 0.000 0.944 161 G HN 1.452 nan 8.290 nan 0.000 0.568 162 S N -1.648 114.195 115.700 0.238 0.000 2.841 162 S HA 0.846 5.312 4.470 -0.006 0.000 0.318 162 S C -0.760 174.095 174.600 0.425 0.000 1.127 162 S CA 0.188 58.552 58.200 0.273 0.000 0.883 162 S CB 2.622 65.951 63.200 0.216 0.000 1.271 162 S HN 1.820 nan 8.310 nan 0.000 0.567 163 W N 0.450 121.815 121.300 0.108 0.000 3.419 163 W HA 0.360 5.016 4.660 -0.007 0.000 0.298 163 W C -3.454 173.115 176.519 0.083 0.000 1.260 163 W CA -1.983 55.425 57.345 0.105 0.000 1.199 163 W CB 1.506 31.032 29.460 0.110 0.000 1.349 163 W HN 0.477 nan 8.180 nan 0.000 0.557 164 P HA -0.083 nan 4.420 nan 0.000 0.264 164 P C -0.653 176.625 177.300 -0.036 0.000 1.193 164 P CA 0.782 63.756 63.100 -0.210 0.000 0.763 164 P CB 0.471 31.937 31.700 -0.390 0.000 0.810 165 Q N 3.522 123.335 119.800 0.021 0.000 2.296 165 Q HA 0.268 4.604 4.340 -0.006 0.000 0.262 165 Q C -0.890 175.125 176.000 0.026 0.000 0.981 165 Q CA -0.090 55.748 55.803 0.059 0.000 0.905 165 Q CB 0.326 29.102 28.738 0.064 0.000 1.186 165 Q HN 0.309 nan 8.270 nan 0.000 0.399 166 M N 6.808 126.433 119.600 0.042 0.000 2.043 166 M HA 0.360 4.837 4.480 -0.006 0.000 0.322 166 M C -2.276 174.038 176.300 0.024 0.000 0.962 166 M CA -2.550 52.762 55.300 0.020 0.000 0.927 166 M CB 0.911 33.529 32.600 0.030 0.000 1.466 166 M HN 0.541 nan 8.290 nan 0.000 0.412 167 P HA 0.114 nan 4.420 nan 0.000 0.266 167 P C -0.358 176.945 177.300 0.004 0.000 1.195 167 P CA -0.170 62.936 63.100 0.011 0.000 0.768 167 P CB 0.545 32.247 31.700 0.004 0.000 0.838 168 A N 4.593 127.417 122.820 0.007 0.000 3.037 168 A HA 0.397 4.713 4.320 -0.006 0.000 0.272 168 A C 0.764 178.343 177.584 -0.007 0.000 1.723 168 A CA -0.524 51.513 52.037 0.001 0.000 1.413 168 A CB -1.495 17.509 19.000 0.007 0.000 1.112 168 A HN 0.582 nan 8.150 nan 0.000 0.606 169 I N -1.984 118.576 120.570 -0.017 0.000 2.740 169 I HA 0.673 4.840 4.170 -0.006 0.000 0.303 169 I C -2.830 173.271 176.117 -0.026 0.000 1.044 169 I CA -3.214 58.072 61.300 -0.022 0.000 1.064 169 I CB 1.860 39.840 38.000 -0.033 0.000 1.249 169 I HN 0.018 nan 8.210 nan 0.000 0.433 170 P HA 0.178 nan 4.420 nan 0.000 0.264 170 P C 0.664 177.956 177.300 -0.013 0.000 1.193 170 P CA 0.772 63.863 63.100 -0.016 0.000 0.763 170 P CB 0.638 32.337 31.700 -0.002 0.000 0.810 171 G N 3.017 111.794 108.800 -0.039 0.000 2.136 171 G HA2 -0.323 3.633 3.960 -0.006 0.000 0.242 171 G HA3 -0.323 3.633 3.960 -0.006 0.000 0.242 171 G C 0.770 175.606 174.900 -0.106 0.000 0.989 171 G CA 0.121 45.189 45.100 -0.053 0.000 0.682 171 G HN 0.544 nan 8.290 nan 0.000 0.522 172 I N 1.667 122.179 120.570 -0.096 0.000 2.315 172 I HA -0.157 4.009 4.170 -0.006 0.000 0.251 172 I C 2.609 178.657 176.117 -0.116 0.000 1.125 172 I CA 2.522 63.775 61.300 -0.078 0.000 1.392 172 I CB -0.056 37.915 38.000 -0.048 0.000 1.065 172 I HN 0.512 nan 8.210 nan 0.000 0.424 173 E N -0.492 119.580 120.200 -0.213 0.000 2.401 173 E HA -0.271 4.075 4.350 -0.006 0.000 0.199 173 E C 1.157 177.600 176.600 -0.263 0.000 1.023 173 E CA 1.372 57.629 56.400 -0.239 0.000 0.859 173 E CB -0.856 28.682 29.700 -0.270 0.000 0.780 173 E HN 0.628 nan 8.360 nan 0.000 0.523 174 H N -0.317 118.744 119.070 -0.014 0.000 2.553 174 H HA 0.210 4.762 4.556 -0.006 0.000 0.265 174 H C 0.457 175.764 175.328 -0.035 0.000 0.964 174 H CA -0.188 55.846 56.048 -0.022 0.000 1.156 174 H CB -0.093 29.653 29.762 -0.027 0.000 1.411 174 H HN 0.139 nan 8.280 nan 0.000 0.558 175 C N 1.595 120.912 119.300 0.029 0.000 2.335 175 C HA 0.544 5.000 4.460 -0.006 0.000 0.363 175 C C 1.300 176.276 174.990 -0.025 0.000 1.198 175 C CA -0.814 58.198 59.018 -0.010 0.000 2.279 175 C CB 0.998 28.718 27.740 -0.033 0.000 2.334 175 C HN 0.413 nan 8.230 nan 0.000 0.559 176 I N 0.307 120.846 120.570 -0.052 0.000 3.436 176 I HA 0.869 5.035 4.170 -0.006 0.000 0.296 176 I C 0.113 176.152 176.117 -0.129 0.000 1.143 176 I CA -0.253 61.001 61.300 -0.077 0.000 1.009 176 I CB 1.660 39.619 38.000 -0.069 0.000 1.301 176 I HN 0.678 nan 8.210 nan 0.000 0.503 177 S N -0.291 115.294 115.700 -0.191 0.000 2.823 177 S HA 0.335 4.801 4.470 -0.006 0.000 0.316 177 S C 0.964 175.363 174.600 -0.335 0.000 1.116 177 S CA 0.036 58.081 58.200 -0.258 0.000 0.911 177 S CB 0.922 63.933 63.200 -0.316 0.000 1.276 177 S HN 0.929 nan 8.310 nan 0.000 0.565 178 S N 1.165 116.629 115.700 -0.394 0.000 2.419 178 S HA -0.200 4.266 4.470 -0.006 0.000 0.235 178 S C 1.408 175.846 174.600 -0.271 0.000 1.019 178 S CA 1.491 59.365 58.200 -0.544 0.000 0.982 178 S CB -1.119 61.868 63.200 -0.355 0.000 0.789 178 S HN 0.650 nan 8.310 nan 0.000 0.490 179 N N 2.172 120.727 118.700 -0.243 0.000 2.043 179 N HA -0.097 4.639 4.740 -0.006 0.000 0.193 179 N C 1.678 177.119 175.510 -0.115 0.000 1.037 179 N CA 1.968 54.844 53.050 -0.291 0.000 0.851 179 N CB -0.632 37.288 38.487 -0.944 0.000 1.027 179 N HN 0.596 nan 8.380 nan 0.000 0.422 180 E N 0.299 120.396 120.200 -0.172 0.000 2.208 180 E HA 0.115 4.461 4.350 -0.006 0.000 0.193 180 E C 1.808 178.524 176.600 0.194 0.000 0.988 180 E CA 0.726 57.181 56.400 0.092 0.000 0.828 180 E CB -0.219 29.493 29.700 0.020 0.000 0.763 180 E HN 0.364 nan 8.360 nan 0.000 0.478 181 A N 0.089 122.912 122.820 0.004 0.000 1.969 181 A HA -0.126 4.190 4.320 -0.006 0.000 0.218 181 A C 1.613 179.288 177.584 0.151 0.000 1.169 181 A CA 0.861 52.905 52.037 0.012 0.000 0.635 181 A CB -0.644 18.015 19.000 -0.569 0.000 0.810 181 A HN 0.223 nan 8.150 nan 0.000 0.445 182 F N -1.919 118.102 119.950 0.118 0.000 2.451 182 F HA -0.061 4.462 4.527 -0.006 0.000 0.299 182 F C 1.202 176.706 175.800 -0.494 0.000 1.101 182 F CA 1.054 58.968 58.000 -0.144 0.000 1.436 182 F CB -0.260 38.586 39.000 -0.257 0.000 1.074 182 F HN 0.346 nan 8.300 nan 0.000 0.553 183 Y N -1.128 119.404 120.300 0.386 0.000 2.588 183 Y HA 0.318 4.864 4.550 -0.007 0.000 0.247 183 Y C 0.412 176.494 175.900 0.304 0.000 1.157 183 Y CA -0.900 57.384 58.100 0.306 0.000 1.215 183 Y CB -0.318 38.328 38.460 0.310 0.000 1.245 183 Y HN -0.278 nan 8.280 nan 0.000 0.534 184 L N 2.967 124.468 121.223 0.464 0.000 2.578 184 L HA -0.029 4.308 4.340 -0.006 0.000 0.279 184 L C -1.381 175.788 176.870 0.497 0.000 1.227 184 L CA -0.875 54.220 54.840 0.425 0.000 0.900 184 L CB 0.491 42.774 42.059 0.374 0.000 1.144 184 L HN 0.015 nan 8.230 nan 0.000 0.496 185 P HA -0.021 nan 4.420 nan 0.000 0.222 185 P C -0.218 177.289 177.300 0.345 0.000 1.153 185 P CA 0.974 64.246 63.100 0.287 0.000 0.798 185 P CB 0.427 32.234 31.700 0.180 0.000 0.796 186 E N -0.834 119.518 120.200 0.252 0.000 2.314 186 E HA 0.322 4.668 4.350 -0.006 0.000 0.272 186 E C -2.690 173.733 176.600 -0.294 0.000 0.884 186 E CA -2.712 53.742 56.400 0.089 0.000 0.753 186 E CB 2.139 31.862 29.700 0.039 0.000 1.213 186 E HN -0.075 nan 8.360 nan 0.000 0.432 187 P HA 0.163 nan 4.420 nan 0.000 0.276 187 P C -2.624 174.381 177.300 -0.492 0.000 1.230 187 P CA -1.353 61.155 63.100 -0.987 0.000 0.776 187 P CB 0.255 31.549 31.700 -0.676 0.000 0.888 188 P HA 0.284 nan 4.420 nan 0.000 0.279 188 P C 0.920 178.057 177.300 -0.272 0.000 1.239 188 P CA -0.372 62.504 63.100 -0.374 0.000 0.789 188 P CB 1.366 32.766 31.700 -0.501 0.000 0.933 189 R N 2.055 122.447 120.500 -0.180 0.000 2.062 189 R HA -0.041 4.295 4.340 -0.006 0.000 0.231 189 R C 0.417 176.645 176.300 -0.120 0.000 1.136 189 R CA 1.271 57.299 56.100 -0.120 0.000 0.948 189 R CB 0.165 30.416 30.300 -0.082 0.000 0.845 189 R HN 0.512 nan 8.270 nan 0.000 0.430 190 R N -0.209 120.210 120.500 -0.135 0.000 2.480 190 R HA 0.399 4.735 4.340 -0.006 0.000 0.306 190 R C -1.534 174.661 176.300 -0.176 0.000 0.958 190 R CA -0.482 55.547 56.100 -0.118 0.000 0.861 190 R CB 2.800 33.056 30.300 -0.073 0.000 1.171 190 R HN -0.044 nan 8.270 nan 0.000 0.445 191 V N 4.493 124.297 119.914 -0.183 0.000 2.709 191 V HA 0.511 4.627 4.120 -0.006 0.000 0.308 191 V C -1.618 174.416 176.094 -0.099 0.000 1.062 191 V CA -1.059 61.101 62.300 -0.233 0.000 0.901 191 V CB 2.064 33.566 31.823 -0.535 0.000 1.003 191 V HN 0.627 nan 8.190 nan 0.000 0.425 192 L N 6.373 127.553 121.223 -0.071 0.000 2.272 192 L HA 0.728 5.064 4.340 -0.006 0.000 0.289 192 L C 0.347 177.224 176.870 0.012 0.000 1.032 192 L CA 0.375 55.218 54.840 0.004 0.000 0.810 192 L CB 1.698 43.774 42.059 0.028 0.000 1.205 192 L HN 0.908 nan 8.230 nan 0.000 0.422 193 T N 2.532 117.124 114.554 0.062 0.000 2.733 193 T HA 0.547 4.893 4.350 -0.006 0.000 0.294 193 T C -0.150 174.589 174.700 0.065 0.000 0.956 193 T CA -0.713 61.429 62.100 0.069 0.000 0.987 193 T CB 0.719 69.658 68.868 0.117 0.000 0.920 193 T HN 0.315 nan 8.240 nan 0.000 0.470 194 V N 3.810 123.750 119.914 0.043 0.000 2.406 194 V HA 0.783 4.899 4.120 -0.006 0.000 0.272 194 V C 0.968 177.110 176.094 0.079 0.000 1.043 194 V CA 0.394 62.739 62.300 0.075 0.000 0.915 194 V CB 0.118 31.970 31.823 0.047 0.000 0.988 194 V HN 1.478 nan 8.190 nan 0.000 0.466 195 G N 3.677 112.561 108.800 0.140 0.000 2.362 195 G HA2 0.350 4.306 3.960 -0.006 0.000 0.656 195 G HA3 0.350 4.306 3.960 -0.006 0.000 0.656 195 G C 0.060 175.014 174.900 0.090 0.000 1.376 195 G CA -0.343 44.860 45.100 0.172 0.000 0.971 195 G HN 1.067 nan 8.290 nan 0.000 0.636 196 G N -0.586 108.176 108.800 -0.064 0.000 3.651 196 G HA2 0.658 4.614 3.960 -0.006 0.000 0.279 196 G HA3 0.658 4.614 3.960 -0.006 0.000 0.279 196 G C 0.772 175.487 174.900 -0.308 0.000 1.024 196 G CA 1.163 45.991 45.100 -0.453 0.000 0.813 196 G HN 1.370 nan 8.290 nan 0.000 0.518 197 G N 0.021 108.750 108.800 -0.118 0.000 2.557 197 G HA2 0.397 4.353 3.960 -0.006 0.000 0.292 197 G HA3 0.397 4.353 3.960 -0.006 0.000 0.292 197 G C 0.880 175.779 174.900 -0.001 0.000 1.237 197 G CA -0.364 44.736 45.100 0.001 0.000 0.978 197 G HN 0.265 nan 8.290 nan 0.000 0.498 198 F N -0.729 119.221 119.950 -0.001 0.000 2.161 198 F HA -0.047 4.476 4.527 -0.007 0.000 0.300 198 F C 2.080 177.902 175.800 0.037 0.000 1.089 198 F CA 1.137 59.123 58.000 -0.023 0.000 1.282 198 F CB -0.571 38.447 39.000 0.031 0.000 1.010 198 F HN 0.199 nan 8.300 nan 0.000 0.485 199 I N 0.206 120.277 120.570 -0.831 0.000 2.163 199 I HA -0.262 3.905 4.170 -0.006 0.000 0.240 199 I C 2.898 178.958 176.117 -0.095 0.000 1.081 199 I CA 1.551 62.551 61.300 -0.500 0.000 1.353 199 I CB -0.870 36.809 38.000 -0.534 0.000 1.054 199 I HN 0.362 nan 8.210 nan 0.000 0.407 200 S N 0.467 116.106 115.700 -0.102 0.000 2.359 200 S HA -0.189 4.278 4.470 -0.006 0.000 0.223 200 S C 2.129 176.743 174.600 0.023 0.000 1.039 200 S CA 1.895 60.088 58.200 -0.011 0.000 1.042 200 S CB -0.334 62.853 63.200 -0.022 0.000 0.915 200 S HN 0.227 nan 8.310 nan 0.000 0.439 201 V N 1.528 121.430 119.914 -0.021 0.000 2.295 201 V HA -0.166 3.950 4.120 -0.006 0.000 0.246 201 V C 2.455 178.544 176.094 -0.007 0.000 1.049 201 V CA 2.241 64.528 62.300 -0.021 0.000 1.024 201 V CB -0.846 30.939 31.823 -0.062 0.000 0.648 201 V HN 0.526 nan 8.190 nan 0.000 0.447 202 E N -0.672 119.525 120.200 -0.006 0.000 2.077 202 E HA -0.196 4.150 4.350 -0.006 0.000 0.193 202 E C 2.057 178.559 176.600 -0.164 0.000 0.989 202 E CA 1.452 57.822 56.400 -0.051 0.000 0.800 202 E CB -0.206 29.476 29.700 -0.031 0.000 0.746 202 E HN 0.576 nan 8.360 nan 0.000 0.452 203 F N 0.633 120.466 119.950 -0.195 0.000 2.234 203 F HA -0.101 4.422 4.527 -0.006 0.000 0.299 203 F C 2.270 177.909 175.800 -0.268 0.000 1.087 203 F CA 0.960 58.734 58.000 -0.376 0.000 1.340 203 F CB -0.238 38.503 39.000 -0.432 0.000 1.031 203 F HN 0.006 nan 8.300 nan 0.000 0.500 204 A N -0.036 122.851 122.820 0.111 0.000 1.933 204 A HA -0.097 4.219 4.320 -0.006 0.000 0.218 204 A C 2.542 180.186 177.584 0.100 0.000 1.175 204 A CA 1.775 53.907 52.037 0.158 0.000 0.628 204 A CB -1.563 17.499 19.000 0.104 0.000 0.814 204 A HN 0.397 nan 8.150 nan 0.000 0.444 205 G N -0.296 108.518 108.800 0.024 0.000 2.422 205 G HA2 -0.104 3.852 3.960 -0.006 0.000 0.218 205 G HA3 -0.104 3.852 3.960 -0.006 0.000 0.218 205 G C 1.500 176.417 174.900 0.029 0.000 1.140 205 G CA 1.011 46.123 45.100 0.020 0.000 0.775 205 G HN 0.471 nan 8.290 nan 0.000 0.545 206 I N -0.066 120.460 120.570 -0.074 0.000 2.163 206 I HA -0.080 4.086 4.170 -0.006 0.000 0.240 206 I C 2.366 178.590 176.117 0.178 0.000 1.081 206 I CA 0.786 62.059 61.300 -0.045 0.000 1.353 206 I CB -0.247 37.514 38.000 -0.398 0.000 1.054 206 I HN 0.033 nan 8.210 nan 0.000 0.407 207 F N 1.080 121.119 119.950 0.149 0.000 2.154 207 F HA -0.265 4.259 4.527 -0.006 0.000 0.301 207 F C 2.343 178.181 175.800 0.063 0.000 1.087 207 F CA 1.634 59.672 58.000 0.064 0.000 1.274 207 F CB -1.382 37.627 39.000 0.014 0.000 1.009 207 F HN 0.204 nan 8.300 nan 0.000 0.485 208 N N 0.289 119.139 118.700 0.249 0.000 2.188 208 N HA -0.109 4.627 4.740 -0.006 0.000 0.184 208 N C 1.729 177.300 175.510 0.101 0.000 1.018 208 N CA 1.344 54.475 53.050 0.135 0.000 0.858 208 N CB -0.240 38.298 38.487 0.084 0.000 0.989 208 N HN 0.158 nan 8.380 nan 0.000 0.426 209 A N -1.390 121.504 122.820 0.123 0.000 1.975 209 A HA 0.061 4.377 4.320 -0.006 0.000 0.215 209 A C 1.201 178.734 177.584 -0.084 0.000 1.170 209 A CA 0.652 52.695 52.037 0.009 0.000 0.656 209 A CB -0.519 18.472 19.000 -0.015 0.000 0.821 209 A HN 0.447 nan 8.150 nan 0.000 0.449 210 Y N 0.834 121.218 120.300 0.140 0.000 2.458 210 Y HA 0.138 4.684 4.550 -0.007 0.000 0.256 210 Y C 0.803 176.731 175.900 0.048 0.000 1.159 210 Y CA -0.123 58.072 58.100 0.159 0.000 1.261 210 Y CB 0.230 38.893 38.460 0.338 0.000 1.119 210 Y HN 0.293 nan 8.280 nan 0.000 0.524 211 K N 1.531 122.003 120.400 0.121 0.000 2.350 211 K HA 0.222 4.538 4.320 -0.006 0.000 0.279 211 K C -2.723 173.887 176.600 0.017 0.000 1.027 211 K CA -1.718 54.581 56.287 0.020 0.000 0.969 211 K CB 0.152 32.652 32.500 0.001 0.000 0.954 211 K HN -0.093 nan 8.250 nan 0.000 0.474 212 P HA 0.094 nan 4.420 nan 0.000 0.272 212 P C -2.474 174.826 177.300 0.000 0.000 1.254 212 P CA -1.252 61.851 63.100 0.005 0.000 0.795 212 P CB -0.783 30.911 31.700 -0.009 0.000 1.022 213 P HA -0.032 nan 4.420 nan 0.000 0.261 213 P C 0.810 178.107 177.300 -0.004 0.000 1.173 213 P CA 1.282 64.384 63.100 0.004 0.000 0.760 213 P CB -0.379 31.326 31.700 0.008 0.000 0.783 214 G N 2.255 111.053 108.800 -0.005 0.000 2.305 214 G HA2 -0.136 3.820 3.960 -0.006 0.000 0.287 214 G HA3 -0.136 3.820 3.960 -0.006 0.000 0.287 214 G C 0.576 175.466 174.900 -0.017 0.000 1.036 214 G CA -0.032 45.063 45.100 -0.009 0.000 0.887 214 G HN 0.899 nan 8.290 nan 0.000 0.505 215 G N -1.190 107.599 108.800 -0.018 0.000 2.522 215 G HA2 0.717 4.673 3.960 -0.006 0.000 0.304 215 G HA3 0.717 4.673 3.960 -0.006 0.000 0.304 215 G C -0.396 174.489 174.900 -0.024 0.000 1.210 215 G CA -0.226 44.855 45.100 -0.030 0.000 0.960 215 G HN 0.641 nan 8.290 nan 0.000 0.497 216 K N -0.609 119.772 120.400 -0.032 0.000 2.565 216 K HA 0.470 4.786 4.320 -0.006 0.000 0.251 216 K C -1.174 175.412 176.600 -0.022 0.000 0.956 216 K CA -0.518 55.756 56.287 -0.021 0.000 0.809 216 K CB 1.906 34.395 32.500 -0.018 0.000 1.267 216 K HN 0.311 nan 8.250 nan 0.000 0.438 217 V N 3.418 123.333 119.914 0.002 0.000 2.439 217 V HA 0.586 4.703 4.120 -0.006 0.000 0.282 217 V C -0.396 175.712 176.094 0.023 0.000 1.039 217 V CA -0.453 61.861 62.300 0.023 0.000 0.913 217 V CB 1.693 33.565 31.823 0.081 0.000 0.983 217 V HN 0.850 nan 8.190 nan 0.000 0.460 218 T N 5.978 120.549 114.554 0.028 0.000 2.848 218 T HA 0.571 4.917 4.350 -0.006 0.000 0.285 218 T C -0.731 174.002 174.700 0.054 0.000 0.995 218 T CA -0.324 61.795 62.100 0.032 0.000 0.970 218 T CB 1.560 70.450 68.868 0.035 0.000 0.976 218 T HN 0.546 nan 8.240 nan 0.000 0.441 219 L N 4.206 125.458 121.223 0.049 0.000 2.313 219 L HA 0.762 5.098 4.340 -0.006 0.000 0.283 219 L C -0.168 176.745 176.870 0.072 0.000 1.013 219 L CA -0.582 54.297 54.840 0.064 0.000 0.816 219 L CB 0.366 42.454 42.059 0.047 0.000 1.236 219 L HN 0.969 nan 8.230 nan 0.000 0.419 220 C N 2.881 122.249 119.300 0.114 0.000 2.454 220 C HA 0.729 5.185 4.460 -0.006 0.000 0.336 220 C C -0.784 174.335 174.990 0.215 0.000 1.189 220 C CA -0.981 58.117 59.018 0.133 0.000 1.877 220 C CB 0.958 28.809 27.740 0.185 0.000 2.348 220 C HN 0.826 nan 8.230 nan 0.000 0.508 221 Y N 2.437 122.752 120.300 0.024 0.000 2.441 221 Y HA 0.478 5.025 4.550 -0.006 0.000 0.334 221 Y C 1.199 177.113 175.900 0.023 0.000 1.061 221 Y CA -1.105 57.011 58.100 0.027 0.000 1.032 221 Y CB 1.304 39.774 38.460 0.017 0.000 1.266 221 Y HN 0.917 nan 8.280 nan 0.000 0.441 222 R N 2.260 122.404 120.500 -0.593 0.000 2.189 222 R HA 0.038 4.374 4.340 -0.006 0.000 0.218 222 R C -0.758 175.242 176.300 -0.502 0.000 1.074 222 R CA 0.992 56.849 56.100 -0.405 0.000 0.991 222 R CB -0.210 29.928 30.300 -0.269 0.000 0.883 222 R HN 0.642 nan 8.270 nan 0.000 0.457 223 N N 0.156 118.259 118.700 -0.996 0.000 2.643 223 N HA 0.070 4.806 4.740 -0.006 0.000 0.305 223 N C 0.077 175.506 175.510 -0.135 0.000 1.283 223 N CA -0.678 52.070 53.050 -0.503 0.000 0.946 223 N CB 0.516 38.772 38.487 -0.386 0.000 1.149 223 N HN 0.016 nan 8.380 nan 0.000 0.600 224 N N -0.105 118.617 118.700 0.037 0.000 2.416 224 N HA -0.002 4.734 4.740 -0.006 0.000 0.177 224 N C -0.860 174.736 175.510 0.143 0.000 1.036 224 N CA 0.577 53.671 53.050 0.073 0.000 0.901 224 N CB 0.296 38.810 38.487 0.044 0.000 0.976 224 N HN 0.211 nan 8.380 nan 0.000 0.444 225 L N 1.655 123.030 121.223 0.253 0.000 2.562 225 L HA 0.400 4.736 4.340 -0.006 0.000 0.266 225 L C -0.312 176.622 176.870 0.107 0.000 0.949 225 L CA -0.787 54.147 54.840 0.156 0.000 0.879 225 L CB 1.407 43.522 42.059 0.093 0.000 1.278 225 L HN 0.022 nan 8.230 nan 0.000 0.404 226 I N 2.114 122.651 120.570 -0.055 0.000 3.246 226 I HA 0.254 4.421 4.170 -0.006 0.000 0.280 226 I C 0.475 176.445 176.117 -0.244 0.000 1.239 226 I CA -0.593 60.498 61.300 -0.349 0.000 1.336 226 I CB 0.224 38.080 38.000 -0.240 0.000 1.383 226 I HN 0.761 nan 8.210 nan 0.000 0.617 227 L N 0.355 121.409 121.223 -0.281 0.000 3.634 227 L HA -0.197 4.139 4.340 -0.006 0.000 0.423 227 L C 0.740 177.704 176.870 0.156 0.000 1.253 227 L CA 0.306 55.112 54.840 -0.056 0.000 0.885 227 L CB -1.483 40.461 42.059 -0.192 0.000 1.789 227 L HN 0.766 nan 8.230 nan 0.000 0.904 228 R N 0.598 121.147 120.500 0.082 0.000 2.538 228 R HA 0.147 4.483 4.340 -0.006 0.000 0.273 228 R C 1.486 177.890 176.300 0.175 0.000 0.967 228 R CA 1.693 57.875 56.100 0.137 0.000 1.101 228 R CB 0.156 30.546 30.300 0.150 0.000 0.908 228 R HN 0.515 nan 8.270 nan 0.000 0.411 229 G N 2.689 111.534 108.800 0.074 0.000 2.254 229 G HA2 -0.277 3.679 3.960 -0.006 0.000 0.225 229 G HA3 -0.277 3.679 3.960 -0.006 0.000 0.225 229 G C -0.093 174.669 174.900 -0.229 0.000 1.003 229 G CA -0.140 44.913 45.100 -0.080 0.000 0.622 229 G HN 0.495 nan 8.290 nan 0.000 0.507 230 F N 1.470 121.401 119.950 -0.033 0.000 2.411 230 F HA 0.572 5.095 4.527 -0.007 0.000 0.324 230 F C 0.831 176.559 175.800 -0.121 0.000 1.086 230 F CA -0.139 57.827 58.000 -0.056 0.000 1.028 230 F CB 0.720 39.695 39.000 -0.041 0.000 1.284 230 F HN 0.113 nan 8.300 nan 0.000 0.501 231 D N 0.704 121.098 120.400 -0.010 0.000 2.472 231 D HA -0.051 4.586 4.640 -0.006 0.000 0.237 231 D C 0.990 177.264 176.300 -0.044 0.000 1.141 231 D CA 0.363 54.249 54.000 -0.189 0.000 0.875 231 D CB 0.746 41.390 40.800 -0.260 0.000 1.192 231 D HN 0.600 nan 8.370 nan 0.000 0.450 232 E N 1.358 121.532 120.200 -0.044 0.000 2.072 232 E HA -0.163 4.183 4.350 -0.006 0.000 0.191 232 E C 1.522 178.123 176.600 0.002 0.000 0.985 232 E CA 1.236 57.635 56.400 -0.001 0.000 0.801 232 E CB 0.142 29.849 29.700 0.013 0.000 0.750 232 E HN 0.661 nan 8.360 nan 0.000 0.452 233 T N 1.590 116.146 114.554 0.003 0.000 2.684 233 T HA -0.165 4.181 4.350 -0.006 0.000 0.267 233 T C 1.971 176.658 174.700 -0.022 0.000 1.036 233 T CA 1.259 63.358 62.100 -0.001 0.000 1.148 233 T CB -0.231 68.643 68.868 0.010 0.000 0.863 233 T HN 0.175 nan 8.240 nan 0.000 0.436 234 I N 0.742 121.295 120.570 -0.030 0.000 2.226 234 I HA -0.208 3.958 4.170 -0.006 0.000 0.245 234 I C 2.827 178.916 176.117 -0.046 0.000 1.100 234 I CA 1.371 62.643 61.300 -0.046 0.000 1.374 234 I CB -0.363 37.621 38.000 -0.027 0.000 1.057 234 I HN 0.166 nan 8.210 nan 0.000 0.413 235 R N 0.635 121.122 120.500 -0.021 0.000 2.083 235 R HA -0.206 4.131 4.340 -0.006 0.000 0.237 235 R C 2.204 178.484 176.300 -0.034 0.000 1.137 235 R CA 1.661 57.742 56.100 -0.031 0.000 0.951 235 R CB -0.301 30.001 30.300 0.004 0.000 0.851 235 R HN 0.426 nan 8.270 nan 0.000 0.434 236 E N 0.021 120.209 120.200 -0.020 0.000 2.072 236 E HA -0.157 4.189 4.350 -0.006 0.000 0.191 236 E C 2.019 178.605 176.600 -0.023 0.000 0.985 236 E CA 0.756 57.146 56.400 -0.017 0.000 0.801 236 E CB 0.128 29.823 29.700 -0.009 0.000 0.750 236 E HN 0.193 nan 8.360 nan 0.000 0.452 237 E N 0.399 120.580 120.200 -0.031 0.000 2.072 237 E HA -0.137 4.209 4.350 -0.006 0.000 0.191 237 E C 2.204 178.784 176.600 -0.034 0.000 0.985 237 E CA 0.561 56.942 56.400 -0.032 0.000 0.801 237 E CB -0.385 29.284 29.700 -0.052 0.000 0.750 237 E HN 0.150 nan 8.360 nan 0.000 0.452 238 V N 0.904 120.785 119.914 -0.056 0.000 2.407 238 V HA -0.239 3.877 4.120 -0.006 0.000 0.248 238 V C 1.975 178.041 176.094 -0.046 0.000 1.055 238 V CA 2.486 64.748 62.300 -0.062 0.000 1.049 238 V CB -0.600 31.159 31.823 -0.106 0.000 0.662 238 V HN 0.242 nan 8.190 nan 0.000 0.455 239 T N -0.003 114.524 114.554 -0.045 0.000 2.720 239 T HA -0.213 4.133 4.350 -0.006 0.000 0.268 239 T C 1.859 176.540 174.700 -0.031 0.000 1.037 239 T CA 2.117 64.195 62.100 -0.036 0.000 1.144 239 T CB -0.250 68.602 68.868 -0.027 0.000 0.864 239 T HN 0.551 nan 8.240 nan 0.000 0.444 240 K N 0.590 120.977 120.400 -0.022 0.000 2.155 240 K HA 0.028 4.344 4.320 -0.006 0.000 0.203 240 K C 2.565 179.150 176.600 -0.024 0.000 1.052 240 K CA 0.844 57.119 56.287 -0.020 0.000 0.948 240 K CB -0.014 32.486 32.500 0.000 0.000 0.728 240 K HN 0.410 nan 8.250 nan 0.000 0.448 241 Q N 0.399 120.208 119.800 0.015 0.000 2.269 241 Q HA 0.023 4.359 4.340 -0.006 0.000 0.201 241 Q C 2.062 178.056 176.000 -0.010 0.000 0.946 241 Q CA 0.572 56.426 55.803 0.085 0.000 0.877 241 Q CB 0.152 28.985 28.738 0.158 0.000 0.963 241 Q HN 0.271 nan 8.270 nan 0.000 0.472 242 L N 0.025 121.231 121.223 -0.029 0.000 2.027 242 L HA -0.175 4.161 4.340 -0.006 0.000 0.206 242 L C 2.372 179.191 176.870 -0.084 0.000 1.074 242 L CA 1.311 56.124 54.840 -0.044 0.000 0.745 242 L CB -0.674 41.365 42.059 -0.033 0.000 0.898 242 L HN 0.225 nan 8.230 nan 0.000 0.433 243 T N 0.077 114.577 114.554 -0.088 0.000 2.652 243 T HA -0.223 4.123 4.350 -0.006 0.000 0.267 243 T C 1.966 176.560 174.700 -0.176 0.000 1.039 243 T CA 1.452 63.490 62.100 -0.103 0.000 1.153 243 T CB -0.352 68.468 68.868 -0.080 0.000 0.863 243 T HN 0.451 nan 8.240 nan 0.000 0.428 244 A N 1.641 124.294 122.820 -0.278 0.000 2.024 244 A HA -0.127 4.190 4.320 -0.006 0.000 0.220 244 A C 2.063 179.329 177.584 -0.529 0.000 1.164 244 A CA 1.605 53.334 52.037 -0.513 0.000 0.643 244 A CB -0.584 17.833 19.000 -0.972 0.000 0.806 244 A HN 0.415 nan 8.150 nan 0.000 0.451 245 N N -1.425 117.058 118.700 -0.361 0.000 2.322 245 N HA 0.223 4.960 4.740 -0.006 0.000 0.194 245 N C 0.932 176.378 175.510 -0.106 0.000 1.126 245 N CA 1.071 54.002 53.050 -0.199 0.000 0.845 245 N CB 0.269 38.707 38.487 -0.081 0.000 0.976 245 N HN 0.558 nan 8.380 nan 0.000 0.475 246 G N -0.137 108.597 108.800 -0.111 0.000 2.179 246 G HA2 -0.231 3.726 3.960 -0.006 0.000 0.220 246 G HA3 -0.231 3.726 3.960 -0.006 0.000 0.220 246 G C 0.037 174.912 174.900 -0.041 0.000 0.990 246 G CA -0.108 44.952 45.100 -0.067 0.000 0.646 246 G HN 0.272 nan 8.290 nan 0.000 0.517 247 I N 1.630 122.178 120.570 -0.038 0.000 2.496 247 I HA 0.299 4.466 4.170 -0.006 0.000 0.285 247 I C 0.759 176.862 176.117 -0.024 0.000 1.080 247 I CA -0.217 61.074 61.300 -0.016 0.000 1.404 247 I CB 1.218 39.217 38.000 -0.002 0.000 1.403 247 I HN 0.264 nan 8.210 nan 0.000 0.539 248 E N 7.318 127.509 120.200 -0.015 0.000 2.167 248 E HA 0.260 4.606 4.350 -0.006 0.000 0.284 248 E C -1.014 175.576 176.600 -0.017 0.000 1.016 248 E CA -0.753 55.634 56.400 -0.023 0.000 0.817 248 E CB 0.843 30.529 29.700 -0.024 0.000 1.080 248 E HN 0.364 nan 8.360 nan 0.000 0.397 249 I N 5.660 126.216 120.570 -0.023 0.000 2.304 249 I HA 0.189 4.355 4.170 -0.006 0.000 0.291 249 I C 0.163 176.262 176.117 -0.029 0.000 1.018 249 I CA -0.443 60.849 61.300 -0.013 0.000 1.260 249 I CB 0.750 38.744 38.000 -0.009 0.000 1.390 249 I HN 0.673 nan 8.210 nan 0.000 0.475 250 M N 6.595 126.172 119.600 -0.037 0.000 2.152 250 M HA 0.216 4.692 4.480 -0.006 0.000 0.354 250 M C 0.311 176.585 176.300 -0.043 0.000 1.173 250 M CA -0.418 54.826 55.300 -0.094 0.000 1.110 250 M CB 0.715 33.182 32.600 -0.221 0.000 1.366 250 M HN 0.584 nan 8.290 nan 0.000 0.415 251 T N -1.184 113.360 114.554 -0.017 0.000 2.874 251 T HA 0.330 4.676 4.350 -0.006 0.000 0.281 251 T C 0.813 175.484 174.700 -0.049 0.000 0.994 251 T CA -0.809 61.306 62.100 0.024 0.000 1.015 251 T CB 0.682 69.588 68.868 0.064 0.000 1.028 251 T HN 0.742 nan 8.240 nan 0.000 0.523 252 N N 0.713 119.372 118.700 -0.068 0.000 2.708 252 N HA -0.145 4.591 4.740 -0.006 0.000 0.249 252 N C -0.703 174.745 175.510 -0.103 0.000 1.097 252 N CA 0.931 53.922 53.050 -0.097 0.000 0.710 252 N CB -0.771 37.674 38.487 -0.070 0.000 1.032 252 N HN 0.745 nan 8.380 nan 0.000 0.551 253 E N 0.416 120.553 120.200 -0.104 0.000 2.317 253 E HA 0.515 4.861 4.350 -0.006 0.000 0.270 253 E C -0.620 176.033 176.600 0.089 0.000 0.885 253 E CA -0.643 55.708 56.400 -0.082 0.000 0.760 253 E CB 2.200 31.670 29.700 -0.383 0.000 1.227 253 E HN 0.187 nan 8.360 nan 0.000 0.434 254 N N 1.530 120.387 118.700 0.261 0.000 2.425 254 N HA 0.347 5.084 4.740 -0.006 0.000 0.289 254 N C -3.037 172.617 175.510 0.239 0.000 1.074 254 N CA -1.696 51.492 53.050 0.229 0.000 0.905 254 N CB 2.002 40.530 38.487 0.068 0.000 1.586 254 N HN -0.011 nan 8.380 nan 0.000 0.490 255 P HA 0.153 nan 4.420 nan 0.000 0.268 255 P C -0.481 176.750 177.300 -0.115 0.000 1.204 255 P CA 0.081 63.042 63.100 -0.231 0.000 0.768 255 P CB 1.004 32.547 31.700 -0.261 0.000 0.842 256 A N 4.183 126.922 122.820 -0.135 0.000 2.167 256 A HA 0.171 4.487 4.320 -0.006 0.000 0.208 256 A C 0.351 177.889 177.584 -0.077 0.000 1.198 256 A CA 0.870 52.865 52.037 -0.070 0.000 0.863 256 A CB -0.154 18.825 19.000 -0.035 0.000 0.904 256 A HN 0.590 nan 8.150 nan 0.000 0.484 257 K N -1.935 118.392 120.400 -0.121 0.000 2.610 257 K HA 0.616 4.932 4.320 -0.006 0.000 0.278 257 K C -1.789 174.742 176.600 -0.116 0.000 0.964 257 K CA -0.778 55.459 56.287 -0.084 0.000 0.859 257 K CB 1.472 33.947 32.500 -0.042 0.000 1.434 257 K HN -0.104 nan 8.250 nan 0.000 0.410 258 V N 1.187 121.075 119.914 -0.044 0.000 2.656 258 V HA 0.626 4.743 4.120 -0.006 0.000 0.307 258 V C -0.704 175.438 176.094 0.079 0.000 1.051 258 V CA -0.558 61.728 62.300 -0.023 0.000 0.893 258 V CB 1.855 33.683 31.823 0.008 0.000 0.999 258 V HN 0.984 nan 8.190 nan 0.000 0.426 259 S N 4.115 119.845 115.700 0.049 0.000 2.568 259 S HA 0.730 5.196 4.470 -0.006 0.000 0.293 259 S C -0.904 173.617 174.600 -0.132 0.000 1.089 259 S CA -0.817 57.403 58.200 0.032 0.000 0.945 259 S CB 1.812 65.047 63.200 0.058 0.000 1.077 259 S HN 0.577 nan 8.310 nan 0.000 0.485 260 L N 2.764 123.786 121.223 -0.335 0.000 2.281 260 L HA 0.347 4.683 4.340 -0.006 0.000 0.285 260 L C -0.096 176.673 176.870 -0.169 0.000 1.074 260 L CA -0.522 54.089 54.840 -0.380 0.000 0.817 260 L CB 0.554 42.303 42.059 -0.517 0.000 1.168 260 L HN 0.745 nan 8.230 nan 0.000 0.434 261 N N 1.079 119.708 118.700 -0.118 0.000 2.424 261 N HA 0.061 4.797 4.740 -0.006 0.000 0.257 261 N C 1.219 176.681 175.510 -0.080 0.000 1.250 261 N CA 0.132 53.130 53.050 -0.087 0.000 0.946 261 N CB 1.169 39.617 38.487 -0.065 0.000 1.175 261 N HN 0.585 nan 8.380 nan 0.000 0.477 262 T N -2.639 111.875 114.554 -0.066 0.000 2.962 262 T HA -0.168 4.178 4.350 -0.006 0.000 0.270 262 T C 0.821 175.494 174.700 -0.045 0.000 1.088 262 T CA 1.083 63.151 62.100 -0.052 0.000 1.127 262 T CB -0.184 68.658 68.868 -0.044 0.000 0.883 262 T HN 0.595 nan 8.240 nan 0.000 0.493 263 D N 0.938 121.311 120.400 -0.045 0.000 2.336 263 D HA 0.225 4.861 4.640 -0.006 0.000 0.229 263 D C 1.679 177.955 176.300 -0.040 0.000 1.061 263 D CA 0.539 54.516 54.000 -0.037 0.000 0.875 263 D CB -0.734 40.046 40.800 -0.033 0.000 0.904 263 D HN 0.582 nan 8.370 nan 0.000 0.525 264 G N 0.200 108.968 108.800 -0.053 0.000 2.253 264 G HA2 -0.332 3.624 3.960 -0.006 0.000 0.251 264 G HA3 -0.332 3.624 3.960 -0.006 0.000 0.251 264 G C 0.599 175.458 174.900 -0.067 0.000 0.998 264 G CA 0.576 45.641 45.100 -0.059 0.000 0.621 264 G HN 0.825 nan 8.290 nan 0.000 0.524 265 S N -0.397 115.268 115.700 -0.059 0.000 2.606 265 S HA 0.654 5.121 4.470 -0.006 0.000 0.257 265 S C 0.004 174.565 174.600 -0.065 0.000 1.327 265 S CA 0.402 58.568 58.200 -0.056 0.000 0.984 265 S CB 1.505 64.682 63.200 -0.039 0.000 0.941 265 S HN 0.386 nan 8.310 nan 0.000 0.576 266 K N 0.094 120.464 120.400 -0.050 0.000 2.270 266 K HA 0.433 4.749 4.320 -0.006 0.000 0.255 266 K C -1.367 175.233 176.600 0.000 0.000 0.936 266 K CA -0.442 55.814 56.287 -0.051 0.000 0.809 266 K CB 1.263 33.727 32.500 -0.060 0.000 1.131 266 K HN 0.773 nan 8.250 nan 0.000 0.427 267 H N 1.776 120.789 119.070 -0.095 0.000 2.623 267 H HA 0.435 4.987 4.556 -0.006 0.000 0.299 267 H C -1.177 174.088 175.328 -0.105 0.000 1.052 267 H CA -0.606 55.394 56.048 -0.080 0.000 1.231 267 H CB 0.462 30.184 29.762 -0.066 0.000 1.389 267 H HN 0.211 nan 8.280 nan 0.000 0.469 268 V N 5.966 125.589 119.914 -0.486 0.000 2.364 268 V HA 0.244 4.360 4.120 -0.006 0.000 0.272 268 V C 0.207 175.908 176.094 -0.655 0.000 1.036 268 V CA -0.542 61.440 62.300 -0.530 0.000 0.880 268 V CB 1.164 32.657 31.823 -0.548 0.000 0.991 268 V HN 0.852 nan 8.190 nan 0.000 0.460 269 T N 6.073 120.318 114.554 -0.515 0.000 2.767 269 T HA 0.613 4.959 4.350 -0.006 0.000 0.284 269 T C -0.324 174.141 174.700 -0.392 0.000 0.973 269 T CA -0.081 61.814 62.100 -0.342 0.000 0.996 269 T CB 0.523 69.298 68.868 -0.155 0.000 0.927 269 T HN 0.270 nan 8.240 nan 0.000 0.456 270 F N 1.010 120.918 119.950 -0.070 0.000 2.370 270 F HA 0.308 4.831 4.527 -0.007 0.000 0.324 270 F C 1.938 177.717 175.800 -0.036 0.000 1.116 270 F CA -0.859 57.112 58.000 -0.049 0.000 1.123 270 F CB 0.627 39.599 39.000 -0.046 0.000 1.238 270 F HN 0.633 nan 8.300 nan 0.000 0.536 271 E N 0.222 120.521 120.200 0.164 0.000 2.187 271 E HA -0.213 4.134 4.350 -0.006 0.000 0.199 271 E C 1.874 178.520 176.600 0.076 0.000 1.004 271 E CA 1.732 58.183 56.400 0.084 0.000 0.813 271 E CB -0.098 29.637 29.700 0.059 0.000 0.736 271 E HN 0.609 nan 8.360 nan 0.000 0.468 272 S N -1.350 114.409 115.700 0.098 0.000 2.607 272 S HA 0.140 4.606 4.470 -0.006 0.000 0.224 272 S C 1.607 176.242 174.600 0.058 0.000 0.969 272 S CA 0.388 58.620 58.200 0.053 0.000 0.927 272 S CB 0.515 63.726 63.200 0.019 0.000 0.772 272 S HN 0.417 nan 8.310 nan 0.000 0.533 273 G N 0.423 109.275 108.800 0.086 0.000 2.241 273 G HA2 -0.279 3.677 3.960 -0.006 0.000 0.244 273 G HA3 -0.279 3.677 3.960 -0.006 0.000 0.244 273 G C 0.149 175.109 174.900 0.100 0.000 0.998 273 G CA 0.183 45.327 45.100 0.074 0.000 0.621 273 G HN 0.565 nan 8.290 nan 0.000 0.519 274 K N 1.700 122.178 120.400 0.131 0.000 2.380 274 K HA 0.536 4.852 4.320 -0.006 0.000 0.267 274 K C 0.955 177.731 176.600 0.294 0.000 0.990 274 K CA 0.956 57.333 56.287 0.149 0.000 0.946 274 K CB 0.624 33.140 32.500 0.027 0.000 0.937 274 K HN 0.555 nan 8.250 nan 0.000 0.491 275 T N -0.553 114.127 114.554 0.210 0.000 2.916 275 T HA 0.745 5.092 4.350 -0.006 0.000 0.292 275 T C -1.270 173.532 174.700 0.170 0.000 1.055 275 T CA -1.013 61.151 62.100 0.106 0.000 1.009 275 T CB 1.202 70.055 68.868 -0.025 0.000 1.118 275 T HN 0.279 nan 8.240 nan 0.000 0.497 276 L N 0.905 122.148 121.223 0.033 0.000 2.482 276 L HA 0.671 5.007 4.340 -0.006 0.000 0.263 276 L C -2.044 174.815 176.870 -0.018 0.000 0.957 276 L CA -0.304 54.586 54.840 0.084 0.000 0.836 276 L CB 2.366 44.569 42.059 0.239 0.000 1.324 276 L HN 0.811 nan 8.230 nan 0.000 0.406 277 D N 3.094 123.521 120.400 0.045 0.000 2.217 277 D HA 0.697 5.334 4.640 -0.006 0.000 0.243 277 D C -0.784 175.519 176.300 0.006 0.000 1.054 277 D CA 0.112 54.139 54.000 0.045 0.000 0.838 277 D CB 1.990 42.852 40.800 0.104 0.000 1.162 277 D HN 0.489 nan 8.370 nan 0.000 0.472 278 V N -0.727 119.173 119.914 -0.023 0.000 3.159 278 V HA 0.468 4.584 4.120 -0.006 0.000 0.308 278 V C -0.105 175.947 176.094 -0.070 0.000 1.190 278 V CA -0.774 61.495 62.300 -0.052 0.000 1.037 278 V CB 2.344 34.127 31.823 -0.066 0.000 1.060 278 V HN 0.326 nan 8.190 nan 0.000 0.437 279 D N 0.502 120.843 120.400 -0.098 0.000 2.249 279 D HA 0.139 4.776 4.640 -0.006 0.000 0.205 279 D C 0.380 176.604 176.300 -0.127 0.000 0.962 279 D CA 1.337 55.272 54.000 -0.108 0.000 0.860 279 D CB 1.008 41.735 40.800 -0.122 0.000 0.955 279 D HN 0.376 nan 8.370 nan 0.000 0.505 280 V N 1.368 121.182 119.914 -0.167 0.000 2.623 280 V HA 0.216 4.332 4.120 -0.006 0.000 0.304 280 V C -0.379 175.622 176.094 -0.155 0.000 1.054 280 V CA -0.804 61.387 62.300 -0.181 0.000 0.882 280 V CB 2.935 34.578 31.823 -0.301 0.000 1.002 280 V HN -0.262 nan 8.190 nan 0.000 0.424 281 V N 5.767 125.617 119.914 -0.107 0.000 2.328 281 V HA 0.432 4.548 4.120 -0.006 0.000 0.278 281 V C 0.057 176.098 176.094 -0.087 0.000 1.021 281 V CA -0.248 61.999 62.300 -0.087 0.000 0.838 281 V CB 1.397 33.178 31.823 -0.070 0.000 0.999 281 V HN 0.889 nan 8.190 nan 0.000 0.447 282 M N 6.334 125.883 119.600 -0.085 0.000 2.055 282 M HA 0.453 4.929 4.480 -0.006 0.000 0.347 282 M C -0.527 175.723 176.300 -0.083 0.000 1.123 282 M CA -0.508 54.733 55.300 -0.098 0.000 1.035 282 M CB 0.756 33.301 32.600 -0.092 0.000 1.484 282 M HN 0.465 nan 8.290 nan 0.000 0.428 283 M N 3.895 123.441 119.600 -0.090 0.000 2.227 283 M HA 0.208 4.685 4.480 -0.006 0.000 0.349 283 M C 0.128 176.371 176.300 -0.095 0.000 1.443 283 M CA 0.249 55.506 55.300 -0.070 0.000 1.110 283 M CB 0.362 32.924 32.600 -0.063 0.000 1.773 283 M HN 0.772 nan 8.290 nan 0.000 0.463 284 A N 4.828 127.610 122.820 -0.062 0.000 3.234 284 A HA 0.375 4.691 4.320 -0.006 0.000 0.247 284 A C 0.778 178.348 177.584 -0.023 0.000 0.938 284 A CA -0.467 51.522 52.037 -0.080 0.000 1.039 284 A CB -0.372 18.560 19.000 -0.114 0.000 1.197 284 A HN 0.941 nan 8.150 nan 0.000 0.498 285 I N -3.606 116.967 120.570 0.006 0.000 3.578 285 I HA 0.560 4.727 4.170 -0.006 0.000 0.295 285 I C 0.698 176.854 176.117 0.065 0.000 1.280 285 I CA 0.524 61.857 61.300 0.056 0.000 1.347 285 I CB 0.388 38.424 38.000 0.060 0.000 1.051 285 I HN 0.403 nan 8.210 nan 0.000 0.460 286 G N 0.960 109.784 108.800 0.039 0.000 2.321 286 G HA2 0.385 4.341 3.960 -0.006 0.000 0.298 286 G HA3 0.385 4.341 3.960 -0.006 0.000 0.298 286 G C -1.601 173.331 174.900 0.054 0.000 1.385 286 G CA -1.115 44.023 45.100 0.064 0.000 0.856 286 G HN 0.167 nan 8.290 nan 0.000 0.584 287 R N -0.510 120.044 120.500 0.089 0.000 2.628 287 R HA 0.664 5.001 4.340 -0.006 0.000 0.288 287 R C -0.228 176.152 176.300 0.134 0.000 0.980 287 R CA -0.861 55.303 56.100 0.107 0.000 0.891 287 R CB 2.253 32.628 30.300 0.125 0.000 1.188 287 R HN 0.732 nan 8.270 nan 0.000 0.450 288 I N -0.803 119.864 120.570 0.162 0.000 2.530 288 I HA 0.589 4.755 4.170 -0.006 0.000 0.297 288 I C -2.521 173.702 176.117 0.176 0.000 1.011 288 I CA -3.189 58.204 61.300 0.155 0.000 1.107 288 I CB 1.887 39.974 38.000 0.144 0.000 1.285 288 I HN 0.245 nan 8.210 nan 0.000 0.436 289 P HA 0.022 nan 4.420 nan 0.000 0.265 289 P C -0.834 176.547 177.300 0.135 0.000 1.187 289 P CA -0.019 63.160 63.100 0.132 0.000 0.766 289 P CB 0.399 32.158 31.700 0.099 0.000 0.820 290 R N 1.802 122.382 120.500 0.134 0.000 2.825 290 R HA 0.170 4.507 4.340 -0.006 0.000 0.261 290 R C 0.933 177.269 176.300 0.061 0.000 1.341 290 R CA 0.094 56.256 56.100 0.104 0.000 1.353 290 R CB -0.382 29.987 30.300 0.115 0.000 1.191 290 R HN 0.564 nan 8.270 nan 0.000 0.590 291 T N -1.778 112.806 114.554 0.050 0.000 3.015 291 T HA 0.034 4.380 4.350 -0.006 0.000 0.250 291 T C 1.340 176.050 174.700 0.016 0.000 1.057 291 T CA -0.025 62.096 62.100 0.036 0.000 1.066 291 T CB 0.132 69.023 68.868 0.038 0.000 0.959 291 T HN 0.310 nan 8.240 nan 0.000 0.488 292 N N 2.333 121.035 118.700 0.003 0.000 2.192 292 N HA -0.123 4.613 4.740 -0.006 0.000 0.188 292 N C 0.853 176.345 175.510 -0.029 0.000 1.013 292 N CA 1.626 54.665 53.050 -0.018 0.000 0.863 292 N CB -0.207 38.260 38.487 -0.033 0.000 0.990 292 N HN 0.546 nan 8.380 nan 0.000 0.430 293 D N 0.327 120.715 120.400 -0.019 0.000 2.354 293 D HA 0.076 4.713 4.640 -0.006 0.000 0.209 293 D C 1.799 178.106 176.300 0.011 0.000 1.015 293 D CA 0.057 54.048 54.000 -0.015 0.000 0.867 293 D CB 0.205 41.029 40.800 0.039 0.000 0.933 293 D HN 0.267 nan 8.370 nan 0.000 0.520 294 L N 0.382 121.613 121.223 0.014 0.000 2.492 294 L HA -0.020 4.316 4.340 -0.006 0.000 0.223 294 L C 0.226 177.096 176.870 -0.000 0.000 1.132 294 L CA 0.212 55.060 54.840 0.014 0.000 0.850 294 L CB -0.141 41.928 42.059 0.018 0.000 0.966 294 L HN -0.145 nan 8.230 nan 0.000 0.454 295 Q N -0.258 119.537 119.800 -0.008 0.000 2.463 295 Q HA -0.223 4.113 4.340 -0.006 0.000 0.299 295 Q C 1.102 177.095 176.000 -0.012 0.000 1.353 295 Q CA 0.599 56.394 55.803 -0.015 0.000 0.828 295 Q CB -2.206 26.520 28.738 -0.020 0.000 1.157 295 Q HN 0.523 nan 8.270 nan 0.000 0.436 296 L N -1.537 119.682 121.223 -0.007 0.000 2.261 296 L HA -0.179 4.157 4.340 -0.006 0.000 0.216 296 L C 2.235 179.099 176.870 -0.010 0.000 1.114 296 L CA 1.611 56.447 54.840 -0.006 0.000 0.777 296 L CB -0.480 41.579 42.059 0.001 0.000 0.910 296 L HN 0.522 nan 8.230 nan 0.000 0.440 297 G N -0.006 108.788 108.800 -0.010 0.000 2.448 297 G HA2 -0.255 3.701 3.960 -0.006 0.000 0.219 297 G HA3 -0.255 3.701 3.960 -0.006 0.000 0.219 297 G C 1.325 176.217 174.900 -0.014 0.000 1.127 297 G CA 0.481 45.574 45.100 -0.011 0.000 0.766 297 G HN 0.373 nan 8.290 nan 0.000 0.552 298 N N 0.311 119.001 118.700 -0.016 0.000 2.348 298 N HA -0.119 4.618 4.740 -0.006 0.000 0.185 298 N C 2.080 177.578 175.510 -0.020 0.000 1.019 298 N CA 1.723 54.762 53.050 -0.019 0.000 0.880 298 N CB 0.048 38.523 38.487 -0.020 0.000 0.965 298 N HN 0.498 nan 8.380 nan 0.000 0.437 299 V N -5.847 114.054 119.914 -0.020 0.000 3.451 299 V HA 0.538 4.655 4.120 -0.006 0.000 0.288 299 V C 1.078 177.158 176.094 -0.022 0.000 1.502 299 V CA 0.321 62.606 62.300 -0.024 0.000 1.026 299 V CB 0.200 32.005 31.823 -0.031 0.000 0.840 299 V HN 0.129 nan 8.190 nan 0.000 0.437 300 G N 1.047 109.837 108.800 -0.017 0.000 2.149 300 G HA2 -0.194 3.763 3.960 -0.006 0.000 0.235 300 G HA3 -0.194 3.763 3.960 -0.006 0.000 0.235 300 G C 0.027 174.919 174.900 -0.013 0.000 1.018 300 G CA 0.099 45.191 45.100 -0.014 0.000 0.728 300 G HN 0.854 nan 8.290 nan 0.000 0.508 301 V N 1.848 121.754 119.914 -0.013 0.000 2.485 301 V HA 0.210 4.326 4.120 -0.006 0.000 0.287 301 V C 0.877 176.971 176.094 -0.000 0.000 1.022 301 V CA -0.056 62.238 62.300 -0.010 0.000 1.067 301 V CB 1.000 32.817 31.823 -0.010 0.000 0.967 301 V HN 0.292 nan 8.190 nan 0.000 0.479 302 K N 6.087 126.489 120.400 0.003 0.000 2.249 302 K HA 0.472 4.788 4.320 -0.006 0.000 0.280 302 K C -0.515 176.094 176.600 0.014 0.000 1.033 302 K CA -0.252 56.039 56.287 0.008 0.000 0.946 302 K CB 1.323 33.828 32.500 0.009 0.000 1.005 302 K HN 0.483 nan 8.250 nan 0.000 0.469 303 L N 2.040 123.272 121.223 0.015 0.000 2.325 303 L HA 0.217 4.553 4.340 -0.006 0.000 0.279 303 L C 1.230 178.112 176.870 0.020 0.000 1.054 303 L CA -0.807 54.045 54.840 0.021 0.000 0.804 303 L CB 1.319 43.391 42.059 0.021 0.000 1.200 303 L HN 0.740 nan 8.230 nan 0.000 0.436 304 T N -0.972 113.595 114.554 0.022 0.000 2.734 304 T HA 0.086 4.432 4.350 -0.006 0.000 0.314 304 T C -1.674 173.038 174.700 0.020 0.000 1.057 304 T CA -1.033 61.078 62.100 0.020 0.000 1.047 304 T CB 0.442 69.323 68.868 0.020 0.000 0.991 304 T HN 0.422 nan 8.240 nan 0.000 0.540 305 P HA -0.065 nan 4.420 nan 0.000 0.216 305 P C 1.136 178.450 177.300 0.023 0.000 1.150 305 P CA 1.302 64.413 63.100 0.018 0.000 0.837 305 P CB -0.073 31.636 31.700 0.016 0.000 0.786 306 K N -1.706 118.709 120.400 0.026 0.000 2.444 306 K HA 0.315 4.632 4.320 -0.006 0.000 0.193 306 K C 1.085 177.709 176.600 0.040 0.000 1.024 306 K CA 0.793 57.100 56.287 0.033 0.000 1.077 306 K CB -0.428 32.093 32.500 0.035 0.000 0.833 306 K HN 0.143 nan 8.250 nan 0.000 0.517 307 G N 0.238 109.061 108.800 0.037 0.000 2.192 307 G HA2 -0.179 3.777 3.960 -0.006 0.000 0.193 307 G HA3 -0.179 3.777 3.960 -0.006 0.000 0.193 307 G C 0.394 175.322 174.900 0.046 0.000 0.999 307 G CA -0.479 44.646 45.100 0.042 0.000 0.659 307 G HN 0.608 nan 8.290 nan 0.000 0.503 308 G N -0.392 108.435 108.800 0.045 0.000 2.634 308 G HA2 0.537 4.493 3.960 -0.006 0.000 0.255 308 G HA3 0.537 4.493 3.960 -0.006 0.000 0.255 308 G C 0.434 175.360 174.900 0.043 0.000 1.205 308 G CA 0.231 45.360 45.100 0.048 0.000 0.884 308 G HN 0.916 nan 8.290 nan 0.000 0.549 309 V N 0.870 120.813 119.914 0.048 0.000 2.521 309 V HA 0.068 4.184 4.120 -0.006 0.000 0.286 309 V C 0.769 176.887 176.094 0.040 0.000 1.034 309 V CA 0.019 62.345 62.300 0.043 0.000 1.045 309 V CB 1.045 32.898 31.823 0.051 0.000 0.974 309 V HN 0.806 nan 8.190 nan 0.000 0.480 310 Q N 4.266 124.085 119.800 0.033 0.000 2.313 310 Q HA 0.480 4.816 4.340 -0.006 0.000 0.266 310 Q C -0.700 175.324 176.000 0.041 0.000 0.989 310 Q CA -0.327 55.494 55.803 0.030 0.000 0.890 310 Q CB 1.263 30.016 28.738 0.024 0.000 1.200 310 Q HN 0.758 nan 8.270 nan 0.000 0.396 311 V N 0.781 120.721 119.914 0.043 0.000 2.962 311 V HA 0.514 4.630 4.120 -0.006 0.000 0.313 311 V C -0.564 175.568 176.094 0.063 0.000 1.099 311 V CA -1.120 61.221 62.300 0.068 0.000 0.971 311 V CB 1.743 33.617 31.823 0.085 0.000 1.028 311 V HN 0.951 nan 8.190 nan 0.000 0.430 312 D N 0.770 121.228 120.400 0.097 0.000 2.425 312 D HA 0.194 4.830 4.640 -0.006 0.000 0.274 312 D C 0.750 177.094 176.300 0.074 0.000 1.242 312 D CA -0.145 53.914 54.000 0.099 0.000 1.060 312 D CB 0.490 41.382 40.800 0.153 0.000 1.112 312 D HN 0.680 nan 8.370 nan 0.000 0.561 313 E N -1.574 118.637 120.200 0.018 0.000 2.338 313 E HA -0.051 4.295 4.350 -0.006 0.000 0.197 313 E C 0.630 177.041 176.600 -0.315 0.000 1.007 313 E CA 0.587 56.881 56.400 -0.176 0.000 0.849 313 E CB -0.261 29.229 29.700 -0.350 0.000 0.774 313 E HN 0.377 nan 8.360 nan 0.000 0.506 314 F N -0.293 119.694 119.950 0.062 0.000 2.647 314 F HA 0.195 4.718 4.527 -0.007 0.000 0.300 314 F C 0.680 176.519 175.800 0.064 0.000 1.106 314 F CA -0.164 57.862 58.000 0.044 0.000 1.313 314 F CB 0.532 39.545 39.000 0.021 0.000 1.007 314 F HN -0.230 nan 8.300 nan 0.000 0.536 315 S N -0.400 115.418 115.700 0.197 0.000 3.228 315 S HA -0.229 4.237 4.470 -0.006 0.000 0.282 315 S C 0.462 175.231 174.600 0.283 0.000 1.286 315 S CA 0.284 58.602 58.200 0.198 0.000 1.066 315 S CB -1.411 61.889 63.200 0.167 0.000 1.277 315 S HN 0.466 nan 8.310 nan 0.000 0.661 316 R N 2.424 123.096 120.500 0.288 0.000 2.298 316 R HA 0.400 4.737 4.340 -0.006 0.000 0.310 316 R C 1.124 177.506 176.300 0.137 0.000 1.068 316 R CA 0.393 56.660 56.100 0.279 0.000 0.957 316 R CB 0.565 31.013 30.300 0.247 0.000 1.003 316 R HN 0.505 nan 8.270 nan 0.000 0.454 317 T N -1.108 113.480 114.554 0.057 0.000 2.729 317 T HA -0.011 4.335 4.350 -0.006 0.000 0.298 317 T C 1.171 175.875 174.700 0.006 0.000 1.013 317 T CA -0.320 61.791 62.100 0.018 0.000 0.957 317 T CB 0.505 69.363 68.868 -0.018 0.000 1.130 317 T HN 0.754 nan 8.240 nan 0.000 0.526 318 N N -0.850 117.850 118.700 0.000 0.000 2.512 318 N HA 0.004 4.740 4.740 -0.006 0.000 0.183 318 N C -0.026 175.470 175.510 -0.024 0.000 1.073 318 N CA 0.012 53.060 53.050 -0.004 0.000 0.911 318 N CB -0.168 38.319 38.487 -0.000 0.000 0.964 318 N HN 0.332 nan 8.380 nan 0.000 0.447 319 V N 1.956 121.841 119.914 -0.048 0.000 2.406 319 V HA 0.294 4.410 4.120 -0.006 0.000 0.272 319 V C -2.095 173.932 176.094 -0.111 0.000 1.043 319 V CA -1.951 60.306 62.300 -0.070 0.000 0.915 319 V CB 0.948 32.728 31.823 -0.072 0.000 0.988 319 V HN 0.093 nan 8.190 nan 0.000 0.466 320 P HA 0.058 nan 4.420 nan 0.000 0.264 320 P C 0.724 177.921 177.300 -0.173 0.000 1.183 320 P CA 0.348 63.391 63.100 -0.096 0.000 0.763 320 P CB 0.084 31.750 31.700 -0.056 0.000 0.807 321 N N 0.570 119.129 118.700 -0.235 0.000 2.828 321 N HA -0.201 4.535 4.740 -0.006 0.000 0.248 321 N C -1.027 174.113 175.510 -0.616 0.000 1.044 321 N CA 0.494 53.355 53.050 -0.316 0.000 0.851 321 N CB -1.932 36.432 38.487 -0.205 0.000 1.136 321 N HN 0.343 nan 8.380 nan 0.000 0.572 322 I N 1.146 121.278 120.570 -0.729 0.000 2.389 322 I HA 0.441 4.607 4.170 -0.006 0.000 0.288 322 I C -0.643 175.087 176.117 -0.645 0.000 0.999 322 I CA -0.884 60.085 61.300 -0.552 0.000 1.129 322 I CB 0.860 38.726 38.000 -0.224 0.000 1.288 322 I HN -0.034 nan 8.210 nan 0.000 0.444 323 Y N 4.174 124.519 120.300 0.076 0.000 2.598 323 Y HA 0.848 5.394 4.550 -0.006 0.000 0.340 323 Y C 0.124 176.068 175.900 0.074 0.000 1.038 323 Y CA -1.246 56.900 58.100 0.076 0.000 1.100 323 Y CB 1.906 40.415 38.460 0.081 0.000 1.281 323 Y HN 0.557 nan 8.280 nan 0.000 0.488 324 A N 2.138 125.099 122.820 0.234 0.000 2.459 324 A HA 0.812 5.128 4.320 -0.006 0.000 0.296 324 A C -1.234 176.442 177.584 0.152 0.000 1.039 324 A CA -0.586 51.547 52.037 0.159 0.000 0.698 324 A CB 0.857 19.923 19.000 0.110 0.000 1.261 324 A HN 0.795 nan 8.150 nan 0.000 0.405 325 I N -0.533 120.120 120.570 0.139 0.000 3.145 325 I HA 0.956 5.122 4.170 -0.006 0.000 0.313 325 I C 0.531 176.721 176.117 0.121 0.000 1.122 325 I CA -0.274 61.103 61.300 0.129 0.000 0.987 325 I CB 2.040 40.115 38.000 0.125 0.000 1.236 325 I HN 1.958 nan 8.210 nan 0.000 0.453 326 G N 2.884 111.757 108.800 0.122 0.000 2.598 326 G HA2 -0.243 3.713 3.960 -0.006 0.000 0.244 326 G HA3 -0.243 3.713 3.960 -0.006 0.000 0.244 326 G C 0.003 174.974 174.900 0.119 0.000 1.302 326 G CA 0.533 45.706 45.100 0.121 0.000 0.903 326 G HN 0.834 nan 8.290 nan 0.000 0.575 327 D N -0.212 120.264 120.400 0.128 0.000 2.263 327 D HA -0.040 4.596 4.640 -0.006 0.000 0.208 327 D C 2.254 178.626 176.300 0.120 0.000 0.971 327 D CA 0.962 55.041 54.000 0.131 0.000 0.867 327 D CB -0.036 40.857 40.800 0.156 0.000 0.929 327 D HN 0.451 nan 8.370 nan 0.000 0.492 328 I N 1.067 121.706 120.570 0.115 0.000 2.756 328 I HA -0.192 3.974 4.170 -0.006 0.000 0.262 328 I C 1.673 177.841 176.117 0.085 0.000 1.225 328 I CA 1.148 62.508 61.300 0.101 0.000 1.472 328 I CB 0.006 38.063 38.000 0.096 0.000 1.094 328 I HN 0.019 nan 8.210 nan 0.000 0.454 329 T N -3.147 111.456 114.554 0.081 0.000 3.148 329 T HA -0.036 4.310 4.350 -0.006 0.000 0.253 329 T C 0.914 175.642 174.700 0.046 0.000 1.134 329 T CA 0.438 62.574 62.100 0.060 0.000 1.051 329 T CB -0.271 68.630 68.868 0.055 0.000 0.959 329 T HN 0.400 nan 8.240 nan 0.000 0.525 330 D N 0.696 121.134 120.400 0.064 0.000 2.723 330 D HA -0.171 4.465 4.640 -0.006 0.000 0.236 330 D C 0.426 176.749 176.300 0.038 0.000 1.138 330 D CA 0.827 54.864 54.000 0.062 0.000 0.676 330 D CB -1.036 39.801 40.800 0.061 0.000 1.069 330 D HN 0.734 nan 8.370 nan 0.000 0.430 331 R N -0.721 119.796 120.500 0.028 0.000 2.366 331 R HA 0.533 4.869 4.340 -0.006 0.000 0.113 331 R C 0.071 176.389 176.300 0.029 0.000 1.519 331 R CA -0.531 55.564 56.100 -0.009 0.000 1.310 331 R CB 0.113 30.358 30.300 -0.090 0.000 1.109 331 R HN 0.101 nan 8.270 nan 0.000 0.432 332 L N 3.108 124.357 121.223 0.044 0.000 2.315 332 L HA 0.311 4.647 4.340 -0.006 0.000 0.283 332 L C -0.081 176.843 176.870 0.091 0.000 1.089 332 L CA 0.108 54.991 54.840 0.071 0.000 0.833 332 L CB 1.135 43.252 42.059 0.097 0.000 1.170 332 L HN 0.522 nan 8.230 nan 0.000 0.442 333 M N 6.332 125.991 119.600 0.099 0.000 3.176 333 M HA 0.344 4.820 4.480 -0.006 0.000 0.284 333 M C -0.878 175.485 176.300 0.105 0.000 1.392 333 M CA 0.238 55.615 55.300 0.128 0.000 1.520 333 M CB -0.140 32.568 32.600 0.180 0.000 1.100 333 M HN 0.469 nan 8.290 nan 0.000 0.555 334 L N -0.318 120.954 121.223 0.081 0.000 2.401 334 L HA 0.410 4.746 4.340 -0.006 0.000 0.266 334 L C 1.219 178.133 176.870 0.074 0.000 0.991 334 L CA -0.496 54.376 54.840 0.052 0.000 0.818 334 L CB 2.247 44.314 42.059 0.013 0.000 1.321 334 L HN 0.255 nan 8.230 nan 0.000 0.413 335 T N 1.268 115.867 114.554 0.076 0.000 2.684 335 T HA -0.058 4.288 4.350 -0.006 0.000 0.267 335 T C -1.148 173.586 174.700 0.057 0.000 1.036 335 T CA 1.757 63.904 62.100 0.078 0.000 1.148 335 T CB -0.365 68.551 68.868 0.080 0.000 0.863 335 T HN 0.433 nan 8.240 nan 0.000 0.436 336 P HA 0.111 nan 4.420 nan 0.000 0.233 336 P C 1.274 178.586 177.300 0.020 0.000 1.167 336 P CA 0.313 63.429 63.100 0.027 0.000 0.770 336 P CB 0.023 31.733 31.700 0.018 0.000 0.837 337 V N 0.157 120.088 119.914 0.029 0.000 2.346 337 V HA -0.148 3.969 4.120 -0.006 0.000 0.244 337 V C 2.432 178.555 176.094 0.049 0.000 1.037 337 V CA 1.996 64.311 62.300 0.025 0.000 1.029 337 V CB -1.565 30.292 31.823 0.057 0.000 0.663 337 V HN 0.074 nan 8.190 nan 0.000 0.454 338 A N 0.024 122.888 122.820 0.074 0.000 1.917 338 A HA -0.226 4.090 4.320 -0.006 0.000 0.219 338 A C 2.195 179.821 177.584 0.070 0.000 1.182 338 A CA 2.100 54.188 52.037 0.086 0.000 0.633 338 A CB -0.572 18.487 19.000 0.099 0.000 0.819 338 A HN 0.505 nan 8.150 nan 0.000 0.448 339 I N -0.436 120.166 120.570 0.053 0.000 2.202 339 I HA -0.221 3.945 4.170 -0.006 0.000 0.242 339 I C 2.544 178.683 176.117 0.037 0.000 1.091 339 I CA 1.365 62.692 61.300 0.044 0.000 1.368 339 I CB -0.401 37.616 38.000 0.030 0.000 1.058 339 I HN 0.482 nan 8.210 nan 0.000 0.410 340 N N 1.099 119.811 118.700 0.019 0.000 2.142 340 N HA -0.205 4.531 4.740 -0.006 0.000 0.186 340 N C 1.679 177.192 175.510 0.004 0.000 1.023 340 N CA 1.454 54.504 53.050 -0.001 0.000 0.852 340 N CB 0.079 38.544 38.487 -0.037 0.000 0.998 340 N HN 0.420 nan 8.380 nan 0.000 0.424 341 E N -0.309 119.901 120.200 0.017 0.000 2.077 341 E HA -0.105 4.241 4.350 -0.006 0.000 0.193 341 E C 1.984 178.619 176.600 0.057 0.000 0.989 341 E CA 0.980 57.404 56.400 0.040 0.000 0.800 341 E CB -0.306 29.444 29.700 0.083 0.000 0.746 341 E HN 0.442 nan 8.360 nan 0.000 0.452 342 G N 1.415 110.256 108.800 0.069 0.000 2.446 342 G HA2 -0.288 3.668 3.960 -0.006 0.000 0.217 342 G HA3 -0.288 3.668 3.960 -0.006 0.000 0.217 342 G C 1.716 176.667 174.900 0.084 0.000 1.168 342 G CA 1.011 46.161 45.100 0.083 0.000 0.771 342 G HN 0.354 nan 8.290 nan 0.000 0.551 343 A N 1.043 123.910 122.820 0.078 0.000 1.902 343 A HA 0.292 4.608 4.320 -0.006 0.000 0.217 343 A C 2.800 180.436 177.584 0.086 0.000 1.181 343 A CA 2.284 54.376 52.037 0.092 0.000 0.623 343 A CB -0.742 18.303 19.000 0.075 0.000 0.818 343 A HN 0.806 nan 8.150 nan 0.000 0.443 344 A N -0.546 122.308 122.820 0.056 0.000 1.930 344 A HA 0.037 4.353 4.320 -0.006 0.000 0.217 344 A C 2.124 179.732 177.584 0.040 0.000 1.175 344 A CA 1.569 53.635 52.037 0.049 0.000 0.627 344 A CB -0.568 18.446 19.000 0.023 0.000 0.815 344 A HN 0.744 nan 8.150 nan 0.000 0.443 345 L N -0.259 120.975 121.223 0.019 0.000 2.046 345 L HA -0.088 4.248 4.340 -0.006 0.000 0.208 345 L C 2.263 179.062 176.870 -0.119 0.000 1.077 345 L CA 1.874 56.675 54.840 -0.064 0.000 0.747 345 L CB -0.367 41.645 42.059 -0.078 0.000 0.896 345 L HN 0.121 nan 8.230 nan 0.000 0.432 346 V N -0.284 119.634 119.914 0.007 0.000 2.379 346 V HA -0.206 3.910 4.120 -0.006 0.000 0.245 346 V C 2.214 178.328 176.094 0.033 0.000 1.044 346 V CA 1.675 64.034 62.300 0.099 0.000 1.036 346 V CB -0.719 31.262 31.823 0.264 0.000 0.664 346 V HN 0.423 nan 8.190 nan 0.000 0.453 347 D N 0.112 120.557 120.400 0.076 0.000 2.158 347 D HA -0.158 4.478 4.640 -0.006 0.000 0.197 347 D C 2.242 178.466 176.300 -0.127 0.000 0.995 347 D CA 2.019 56.029 54.000 0.017 0.000 0.846 347 D CB -0.230 40.627 40.800 0.095 0.000 0.941 347 D HN 0.408 nan 8.370 nan 0.000 0.456 348 T N -0.463 114.015 114.554 -0.127 0.000 2.894 348 T HA 0.007 4.354 4.350 -0.006 0.000 0.258 348 T C 2.179 176.695 174.700 -0.307 0.000 1.043 348 T CA 0.355 62.358 62.100 -0.162 0.000 1.141 348 T CB 0.037 68.856 68.868 -0.082 0.000 0.873 348 T HN -0.038 nan 8.240 nan 0.000 0.449 349 V N 0.230 119.865 119.914 -0.465 0.000 2.407 349 V HA 0.058 4.174 4.120 -0.006 0.000 0.245 349 V C 1.697 177.278 176.094 -0.855 0.000 1.041 349 V CA 1.487 63.327 62.300 -0.767 0.000 1.040 349 V CB -0.415 30.694 31.823 -1.191 0.000 0.671 349 V HN 0.385 nan 8.190 nan 0.000 0.455 350 F N -0.249 119.463 119.950 -0.395 0.000 2.680 350 F HA 0.490 5.013 4.527 -0.006 0.000 0.290 350 F C 1.613 176.920 175.800 -0.822 0.000 1.114 350 F CA -0.025 57.693 58.000 -0.470 0.000 1.333 350 F CB -0.669 38.118 39.000 -0.355 0.000 1.091 350 F HN 0.127 nan 8.300 nan 0.000 0.606 351 G N -0.004 108.284 108.800 -0.853 0.000 2.510 351 G HA2 0.182 4.138 3.960 -0.006 0.000 0.280 351 G HA3 0.182 4.138 3.960 -0.006 0.000 0.280 351 G C -0.020 174.672 174.900 -0.347 0.000 1.386 351 G CA -0.521 44.013 45.100 -0.943 0.000 1.047 351 G HN 0.301 nan 8.290 nan 0.000 0.527 352 N N -1.045 117.554 118.700 -0.167 0.000 2.338 352 N HA 0.192 4.929 4.740 -0.006 0.000 0.251 352 N C -0.594 174.893 175.510 -0.039 0.000 1.199 352 N CA -0.021 52.980 53.050 -0.082 0.000 0.879 352 N CB 0.854 39.324 38.487 -0.027 0.000 1.159 352 N HN 0.177 nan 8.380 nan 0.000 0.514 353 K N 1.830 122.209 120.400 -0.034 0.000 2.679 353 K HA 0.259 4.575 4.320 -0.006 0.000 0.188 353 K C -2.728 173.877 176.600 0.008 0.000 1.055 353 K CA -1.603 54.688 56.287 0.007 0.000 1.006 353 K CB 1.397 33.925 32.500 0.047 0.000 1.317 353 K HN -0.008 nan 8.250 nan 0.000 0.584 354 P HA 0.037 nan 4.420 nan 0.000 0.266 354 P C -0.711 176.679 177.300 0.149 0.000 1.195 354 P CA -0.042 63.073 63.100 0.024 0.000 0.768 354 P CB 0.759 32.420 31.700 -0.065 0.000 0.838 355 R N 1.339 121.994 120.500 0.258 0.000 2.579 355 R HA 0.310 4.646 4.340 -0.006 0.000 0.260 355 R C -1.116 175.273 176.300 0.149 0.000 1.103 355 R CA -0.770 55.443 56.100 0.188 0.000 0.942 355 R CB 1.615 31.968 30.300 0.088 0.000 1.251 355 R HN 0.544 nan 8.270 nan 0.000 0.450 356 K N 1.741 122.108 120.400 -0.056 0.000 2.259 356 K HA 0.431 4.747 4.320 -0.006 0.000 0.249 356 K C -0.921 175.576 176.600 -0.170 0.000 0.942 356 K CA -0.783 55.343 56.287 -0.269 0.000 0.816 356 K CB 2.159 34.205 32.500 -0.757 0.000 1.155 356 K HN 0.308 nan 8.250 nan 0.000 0.428 357 T N 2.108 116.559 114.554 -0.170 0.000 2.888 357 T HA -0.038 4.309 4.350 -0.006 0.000 0.301 357 T C -0.526 173.978 174.700 -0.327 0.000 1.001 357 T CA 0.270 62.217 62.100 -0.255 0.000 1.147 357 T CB 0.395 69.058 68.868 -0.341 0.000 0.931 357 T HN 0.568 nan 8.240 nan 0.000 0.541 358 D N 1.462 121.701 120.400 -0.268 0.000 2.339 358 D HA 0.051 4.687 4.640 -0.006 0.000 0.241 358 D C 0.888 177.033 176.300 -0.259 0.000 1.183 358 D CA -0.305 53.585 54.000 -0.184 0.000 0.859 358 D CB 0.419 41.160 40.800 -0.097 0.000 1.067 358 D HN 0.566 nan 8.370 nan 0.000 0.484 359 H N 2.078 121.129 119.070 -0.031 0.000 2.539 359 H HA 0.069 4.621 4.556 -0.006 0.000 0.267 359 H C 0.628 175.945 175.328 -0.018 0.000 0.982 359 H CA 0.318 56.353 56.048 -0.022 0.000 1.146 359 H CB 0.242 29.991 29.762 -0.021 0.000 1.382 359 H HN 0.409 nan 8.280 nan 0.000 0.577 360 T N -1.584 113.003 114.554 0.054 0.000 2.918 360 T HA 0.305 4.652 4.350 -0.006 0.000 0.283 360 T C 0.626 175.332 174.700 0.010 0.000 1.001 360 T CA -0.825 61.297 62.100 0.037 0.000 1.041 360 T CB 1.742 70.634 68.868 0.039 0.000 1.028 360 T HN 0.293 nan 8.240 nan 0.000 0.511 361 R N -0.680 119.823 120.500 0.006 0.000 3.516 361 R HA -0.100 4.237 4.340 -0.006 0.000 0.271 361 R C -0.516 175.772 176.300 -0.019 0.000 1.098 361 R CA 0.368 56.463 56.100 -0.009 0.000 0.732 361 R CB -2.545 27.754 30.300 -0.003 0.000 1.152 361 R HN 0.543 nan 8.270 nan 0.000 0.455 362 V N 1.246 121.147 119.914 -0.021 0.000 2.427 362 V HA 0.391 4.507 4.120 -0.006 0.000 0.268 362 V C 1.187 177.261 176.094 -0.034 0.000 1.046 362 V CA 0.057 62.342 62.300 -0.025 0.000 0.970 362 V CB 1.241 33.053 31.823 -0.018 0.000 1.001 362 V HN 0.409 nan 8.190 nan 0.000 0.476 363 A N 5.181 127.984 122.820 -0.028 0.000 2.462 363 A HA 0.630 4.947 4.320 -0.006 0.000 0.243 363 A C 0.549 178.118 177.584 -0.024 0.000 1.076 363 A CA 0.463 52.483 52.037 -0.028 0.000 0.773 363 A CB 0.288 19.278 19.000 -0.016 0.000 1.010 363 A HN 1.218 nan 8.150 nan 0.000 0.493 364 S N 0.449 116.134 115.700 -0.026 0.000 2.625 364 S HA 0.872 5.339 4.470 -0.006 0.000 0.271 364 S C -0.638 173.955 174.600 -0.011 0.000 1.161 364 S CA -0.111 58.076 58.200 -0.022 0.000 0.820 364 S CB 1.399 64.570 63.200 -0.048 0.000 1.137 364 S HN 2.302 nan 8.310 nan 0.000 0.470 365 A N 0.369 123.165 122.820 -0.039 0.000 2.515 365 A HA 0.860 5.176 4.320 -0.006 0.000 0.296 365 A C -1.373 176.110 177.584 -0.168 0.000 1.094 365 A CA -0.809 51.136 52.037 -0.153 0.000 0.718 365 A CB 1.775 20.577 19.000 -0.330 0.000 1.307 365 A HN 1.297 nan 8.150 nan 0.000 0.408 366 V N 0.906 120.650 119.914 -0.284 0.000 2.531 366 V HA 0.349 4.465 4.120 -0.006 0.000 0.301 366 V C -0.974 174.905 176.094 -0.358 0.000 1.034 366 V CA -0.112 62.068 62.300 -0.200 0.000 0.865 366 V CB 1.269 32.936 31.823 -0.261 0.000 0.995 366 V HN 0.763 nan 8.190 nan 0.000 0.424 367 F N 3.077 123.038 119.950 0.019 0.000 2.833 367 F HA 0.189 4.712 4.527 -0.006 0.000 0.327 367 F C 1.546 177.325 175.800 -0.036 0.000 1.184 367 F CA -0.235 57.760 58.000 -0.009 0.000 1.328 367 F CB -0.193 38.804 39.000 -0.005 0.000 1.440 367 F HN 0.564 nan 8.300 nan 0.000 0.569 368 S N -0.197 115.500 115.700 -0.006 0.000 2.617 368 S HA 0.490 4.956 4.470 -0.006 0.000 0.259 368 S C -0.130 174.467 174.600 -0.006 0.000 1.301 368 S CA -0.643 57.545 58.200 -0.020 0.000 0.984 368 S CB 1.245 64.401 63.200 -0.073 0.000 0.954 368 S HN 0.267 nan 8.310 nan 0.000 0.572 369 I N 1.969 122.535 120.570 -0.008 0.000 2.405 369 I HA 0.351 4.517 4.170 -0.006 0.000 0.280 369 I C -2.455 173.658 176.117 -0.007 0.000 1.027 369 I CA -2.031 59.263 61.300 -0.009 0.000 1.161 369 I CB 1.229 39.222 38.000 -0.012 0.000 1.300 369 I HN 0.442 nan 8.210 nan 0.000 0.463 370 P HA 0.366 nan 4.420 nan 0.000 0.276 370 P C -2.578 174.686 177.300 -0.060 0.000 1.261 370 P CA -1.428 61.650 63.100 -0.037 0.000 0.800 370 P CB 0.138 31.816 31.700 -0.036 0.000 1.066 371 P HA 0.327 nan 4.420 nan 0.000 0.280 371 P C -0.634 176.555 177.300 -0.184 0.000 1.272 371 P CA -0.193 62.803 63.100 -0.174 0.000 0.819 371 P CB 0.953 32.491 31.700 -0.270 0.000 1.122 372 I N -0.122 120.305 120.570 -0.238 0.000 2.437 372 I HA 0.546 4.712 4.170 -0.006 0.000 0.298 372 I C 0.801 176.822 176.117 -0.161 0.000 0.984 372 I CA -0.405 60.793 61.300 -0.170 0.000 1.214 372 I CB 1.728 39.626 38.000 -0.170 0.000 1.365 372 I HN 0.369 nan 8.210 nan 0.000 0.469 373 G N 2.519 111.269 108.800 -0.083 0.000 2.590 373 G HA2 0.595 4.552 3.960 -0.006 0.000 0.310 373 G HA3 0.595 4.552 3.960 -0.006 0.000 0.310 373 G C -1.162 173.735 174.900 -0.005 0.000 1.347 373 G CA -0.319 44.748 45.100 -0.054 0.000 0.963 373 G HN 0.481 nan 8.290 nan 0.000 0.494 374 T N -0.573 113.987 114.554 0.009 0.000 2.916 374 T HA 0.552 4.898 4.350 -0.006 0.000 0.305 374 T C -1.503 173.147 174.700 -0.083 0.000 1.119 374 T CA -0.495 61.595 62.100 -0.018 0.000 1.008 374 T CB 1.578 70.525 68.868 0.133 0.000 1.129 374 T HN 1.035 nan 8.240 nan 0.000 0.480 375 C N 3.661 122.852 119.300 -0.181 0.000 2.705 375 C HA 0.851 5.307 4.460 -0.006 0.000 0.369 375 C C 0.618 175.504 174.990 -0.174 0.000 1.069 375 C CA 1.082 60.019 59.018 -0.135 0.000 1.260 375 C CB -0.280 27.403 27.740 -0.094 0.000 1.764 375 C HN 1.653 nan 8.230 nan 0.000 0.469 376 G N 4.693 113.439 108.800 -0.089 0.000 2.548 376 G HA2 -0.044 3.913 3.960 -0.006 0.000 0.208 376 G HA3 -0.044 3.913 3.960 -0.006 0.000 0.208 376 G C -1.141 173.773 174.900 0.023 0.000 1.308 376 G CA -0.408 44.664 45.100 -0.046 0.000 0.924 376 G HN 1.035 nan 8.290 nan 0.000 0.540 377 L N 1.443 122.702 121.223 0.060 0.000 2.326 377 L HA 0.508 4.844 4.340 -0.006 0.000 0.278 377 L C 1.639 178.625 176.870 0.193 0.000 1.092 377 L CA -0.769 54.129 54.840 0.097 0.000 0.810 377 L CB 0.970 43.077 42.059 0.081 0.000 1.153 377 L HN 0.727 nan 8.230 nan 0.000 0.439 378 I N -0.306 120.295 120.570 0.052 0.000 2.993 378 I HA -0.009 4.157 4.170 -0.006 0.000 0.286 378 I C 1.427 177.493 176.117 -0.084 0.000 1.215 378 I CA -0.373 60.843 61.300 -0.141 0.000 1.393 378 I CB 0.560 38.421 38.000 -0.232 0.000 1.371 378 I HN 0.853 nan 8.210 nan 0.000 0.602 379 E N 3.249 123.376 120.200 -0.123 0.000 2.110 379 E HA -0.258 4.088 4.350 -0.006 0.000 0.193 379 E C 1.340 177.733 176.600 -0.346 0.000 0.988 379 E CA 1.546 57.839 56.400 -0.179 0.000 0.804 379 E CB -0.373 29.270 29.700 -0.095 0.000 0.745 379 E HN 0.876 nan 8.360 nan 0.000 0.458 380 E N 1.622 121.664 120.200 -0.263 0.000 2.285 380 E HA -0.067 4.279 4.350 -0.006 0.000 0.194 380 E C 2.179 178.691 176.600 -0.148 0.000 0.997 380 E CA 0.736 56.978 56.400 -0.263 0.000 0.845 380 E CB -0.164 29.457 29.700 -0.131 0.000 0.782 380 E HN 0.264 nan 8.360 nan 0.000 0.491 381 V N 1.860 121.719 119.914 -0.092 0.000 2.407 381 V HA -0.081 4.035 4.120 -0.006 0.000 0.245 381 V C 2.678 178.785 176.094 0.022 0.000 1.041 381 V CA 1.495 63.777 62.300 -0.030 0.000 1.040 381 V CB -0.633 31.183 31.823 -0.011 0.000 0.671 381 V HN 0.389 nan 8.190 nan 0.000 0.455 382 A N 0.346 123.187 122.820 0.036 0.000 1.908 382 A HA -0.173 4.144 4.320 -0.006 0.000 0.218 382 A C 2.351 180.054 177.584 0.199 0.000 1.181 382 A CA 2.216 54.358 52.037 0.175 0.000 0.627 382 A CB -0.735 18.302 19.000 0.062 0.000 0.818 382 A HN 0.578 nan 8.150 nan 0.000 0.445 383 A N -0.625 122.178 122.820 -0.028 0.000 2.066 383 A HA -0.050 4.266 4.320 -0.006 0.000 0.218 383 A C 1.972 179.581 177.584 0.042 0.000 1.157 383 A CA 1.522 53.550 52.037 -0.015 0.000 0.670 383 A CB -0.311 18.524 19.000 -0.274 0.000 0.804 383 A HN 0.549 nan 8.150 nan 0.000 0.453 384 K N -0.601 119.804 120.400 0.009 0.000 2.432 384 K HA -0.011 4.305 4.320 -0.006 0.000 0.196 384 K C 0.974 177.556 176.600 -0.030 0.000 1.038 384 K CA 1.143 57.431 56.287 0.001 0.000 0.986 384 K CB 0.086 32.579 32.500 -0.013 0.000 0.782 384 K HN 0.530 nan 8.250 nan 0.000 0.485 385 E N -1.047 119.129 120.200 -0.040 0.000 2.562 385 E HA 0.166 4.512 4.350 -0.006 0.000 0.214 385 E C -0.888 175.322 176.600 -0.650 0.000 0.979 385 E CA -0.106 56.118 56.400 -0.292 0.000 1.002 385 E CB 0.604 30.109 29.700 -0.325 0.000 1.048 385 E HN -0.011 nan 8.360 nan 0.000 0.488 386 F N -0.303 119.664 119.950 0.029 0.000 2.581 386 F HA 0.229 4.752 4.527 -0.006 0.000 0.311 386 F C 1.073 176.913 175.800 0.067 0.000 1.113 386 F CA -0.920 57.110 58.000 0.049 0.000 0.935 386 F CB 1.772 40.806 39.000 0.058 0.000 1.232 386 F HN -0.206 nan 8.300 nan 0.000 0.445 387 E N 1.719 122.066 120.200 0.246 0.000 2.072 387 E HA -0.043 4.303 4.350 -0.006 0.000 0.191 387 E C -0.215 176.507 176.600 0.204 0.000 0.985 387 E CA 1.211 57.716 56.400 0.175 0.000 0.801 387 E CB 0.342 30.120 29.700 0.130 0.000 0.750 387 E HN 0.487 nan 8.360 nan 0.000 0.452 388 K N 0.542 121.090 120.400 0.246 0.000 2.545 388 K HA 0.374 4.690 4.320 -0.006 0.000 0.252 388 K C -1.713 175.058 176.600 0.284 0.000 0.948 388 K CA -0.526 55.916 56.287 0.259 0.000 0.827 388 K CB 2.677 35.333 32.500 0.259 0.000 1.128 388 K HN -0.139 nan 8.250 nan 0.000 0.429 389 V N 2.488 122.572 119.914 0.283 0.000 2.444 389 V HA 0.545 4.661 4.120 -0.006 0.000 0.294 389 V C -0.379 175.811 176.094 0.161 0.000 1.022 389 V CA -0.876 61.551 62.300 0.212 0.000 0.850 389 V CB 1.568 33.512 31.823 0.201 0.000 0.992 389 V HN 0.884 nan 8.190 nan 0.000 0.426 390 A N 4.806 127.648 122.820 0.037 0.000 2.306 390 A HA 0.848 5.164 4.320 -0.006 0.000 0.314 390 A C -0.659 176.750 177.584 -0.292 0.000 1.164 390 A CA -0.471 51.373 52.037 -0.322 0.000 0.822 390 A CB 1.287 20.123 19.000 -0.272 0.000 1.130 390 A HN 0.700 nan 8.150 nan 0.000 0.496 391 V N 2.761 122.292 119.914 -0.639 0.000 2.443 391 V HA 0.313 4.429 4.120 -0.006 0.000 0.293 391 V C -1.398 174.308 176.094 -0.646 0.000 1.021 391 V CA -0.278 61.695 62.300 -0.544 0.000 0.848 391 V CB 0.872 32.181 31.823 -0.857 0.000 0.998 391 V HN 0.787 nan 8.190 nan 0.000 0.424 392 Y N 5.032 125.141 120.300 -0.318 0.000 2.331 392 Y HA 0.715 5.262 4.550 -0.006 0.000 0.338 392 Y C 0.191 176.008 175.900 -0.137 0.000 0.992 392 Y CA -0.527 57.445 58.100 -0.213 0.000 1.121 392 Y CB 1.826 40.202 38.460 -0.141 0.000 1.184 392 Y HN 0.611 nan 8.280 nan 0.000 0.469 393 M N 3.505 123.119 119.600 0.023 0.000 2.327 393 M HA 0.559 5.035 4.480 -0.006 0.000 0.298 393 M C -1.406 174.961 176.300 0.112 0.000 1.065 393 M CA -0.360 54.975 55.300 0.058 0.000 0.916 393 M CB 1.681 34.312 32.600 0.052 0.000 1.630 393 M HN 0.558 nan 8.290 nan 0.000 0.442 394 S N 2.938 118.729 115.700 0.152 0.000 2.500 394 S HA 0.828 5.294 4.470 -0.006 0.000 0.301 394 S C -1.450 173.295 174.600 0.241 0.000 1.092 394 S CA -0.402 57.947 58.200 0.249 0.000 1.030 394 S CB 1.849 65.257 63.200 0.345 0.000 1.031 394 S HN 0.810 nan 8.310 nan 0.000 0.483 395 S N 3.258 119.138 115.700 0.299 0.000 2.543 395 S HA 0.846 5.312 4.470 -0.006 0.000 0.271 395 S C -1.650 173.112 174.600 0.269 0.000 1.148 395 S CA -0.674 57.601 58.200 0.126 0.000 0.914 395 S CB 0.474 63.700 63.200 0.043 0.000 1.096 395 S HN 1.109 nan 8.310 nan 0.000 0.471 396 F N -0.548 119.485 119.950 0.138 0.000 2.769 396 F HA 0.486 5.009 4.527 -0.007 0.000 0.313 396 F C -0.722 175.157 175.800 0.132 0.000 1.146 396 F CA -1.022 57.048 58.000 0.117 0.000 0.934 396 F CB 0.529 39.596 39.000 0.112 0.000 1.283 396 F HN 0.273 nan 8.300 nan 0.000 0.443 397 T N 3.405 118.099 114.554 0.234 0.000 2.752 397 T HA 0.395 4.741 4.350 -0.006 0.000 0.295 397 T C -2.536 172.399 174.700 0.391 0.000 0.923 397 T CA -0.797 61.417 62.100 0.189 0.000 1.112 397 T CB 0.251 69.204 68.868 0.141 0.000 0.884 397 T HN 0.342 nan 8.240 nan 0.000 0.525 398 P HA 0.059 nan 4.420 nan 0.000 0.267 398 P C 1.046 178.483 177.300 0.228 0.000 1.200 398 P CA -0.601 62.736 63.100 0.396 0.000 0.772 398 P CB 0.510 32.362 31.700 0.254 0.000 0.855 399 L N 4.027 125.346 121.223 0.160 0.000 2.051 399 L HA -0.219 4.117 4.340 -0.006 0.000 0.214 399 L C 2.271 179.184 176.870 0.073 0.000 1.076 399 L CA 2.214 57.109 54.840 0.092 0.000 0.758 399 L CB -1.365 40.727 42.059 0.056 0.000 0.890 399 L HN 0.518 nan 8.230 nan 0.000 0.433 400 M N -1.840 117.791 119.600 0.052 0.000 2.144 400 M HA -0.242 4.234 4.480 -0.006 0.000 0.260 400 M C 1.779 178.075 176.300 -0.006 0.000 1.067 400 M CA 2.078 57.414 55.300 0.060 0.000 1.095 400 M CB -0.846 31.726 32.600 -0.047 0.000 1.365 400 M HN 0.264 nan 8.290 nan 0.000 0.406 401 H N 0.621 119.759 119.070 0.113 0.000 2.551 401 H HA 0.145 4.697 4.556 -0.006 0.000 0.266 401 H C 1.283 176.628 175.328 0.028 0.000 0.977 401 H CA 0.687 56.768 56.048 0.055 0.000 1.163 401 H CB -0.376 29.377 29.762 -0.016 0.000 1.381 401 H HN 0.601 nan 8.280 nan 0.000 0.581 402 N N 0.787 119.557 118.700 0.117 0.000 2.109 402 N HA -0.065 4.671 4.740 -0.006 0.000 0.188 402 N C 2.100 177.613 175.510 0.006 0.000 1.034 402 N CA 0.489 53.577 53.050 0.063 0.000 0.846 402 N CB 0.022 38.539 38.487 0.050 0.000 1.010 402 N HN 0.318 nan 8.380 nan 0.000 0.425 403 I N 1.389 121.922 120.570 -0.062 0.000 2.286 403 I HA -0.243 3.924 4.170 -0.006 0.000 0.248 403 I C 2.459 178.436 176.117 -0.232 0.000 1.115 403 I CA 1.124 62.285 61.300 -0.231 0.000 1.392 403 I CB -0.483 37.235 38.000 -0.469 0.000 1.065 403 I HN 0.180 nan 8.210 nan 0.000 0.418 404 S N 0.412 116.092 115.700 -0.033 0.000 2.399 404 S HA -0.070 4.396 4.470 -0.006 0.000 0.231 404 S C 1.829 176.511 174.600 0.135 0.000 1.022 404 S CA 1.286 59.588 58.200 0.170 0.000 0.983 404 S CB -0.030 63.405 63.200 0.391 0.000 0.803 404 S HN 0.650 nan 8.310 nan 0.000 0.480 405 G N -0.065 108.796 108.800 0.102 0.000 2.232 405 G HA2 -0.212 3.744 3.960 -0.006 0.000 0.226 405 G HA3 -0.212 3.744 3.960 -0.006 0.000 0.226 405 G C 0.405 175.374 174.900 0.115 0.000 0.996 405 G CA 0.145 45.304 45.100 0.097 0.000 0.626 405 G HN 0.736 nan 8.290 nan 0.000 0.509 406 S N 1.361 117.115 115.700 0.089 0.000 3.965 406 S HA 0.323 4.789 4.470 -0.006 0.000 0.195 406 S C 1.433 175.851 174.600 -0.304 0.000 1.449 406 S CA 0.002 58.125 58.200 -0.128 0.000 0.965 406 S CB 0.704 63.671 63.200 -0.388 0.000 1.459 406 S HN 0.516 nan 8.310 nan 0.000 0.476 407 K N 0.682 121.068 120.400 -0.022 0.000 2.209 407 K HA -0.155 4.161 4.320 -0.006 0.000 0.204 407 K C 1.459 178.057 176.600 -0.004 0.000 1.048 407 K CA 1.283 57.580 56.287 0.016 0.000 0.940 407 K CB -0.269 32.283 32.500 0.087 0.000 0.729 407 K HN 0.790 nan 8.250 nan 0.000 0.451 408 Y N 0.548 120.838 120.300 -0.016 0.000 2.574 408 Y HA 0.039 4.585 4.550 -0.006 0.000 0.294 408 Y C 0.167 176.030 175.900 -0.062 0.000 1.142 408 Y CA 0.108 58.189 58.100 -0.033 0.000 1.314 408 Y CB -0.511 37.926 38.460 -0.040 0.000 0.991 408 Y HN -0.254 nan 8.280 nan 0.000 0.555 409 K N 2.945 122.962 120.400 -0.638 0.000 2.121 409 K HA 0.084 4.400 4.320 -0.006 0.000 0.235 409 K C -0.371 176.106 176.600 -0.204 0.000 1.200 409 K CA 0.146 56.121 56.287 -0.520 0.000 1.115 409 K CB 0.014 31.990 32.500 -0.873 0.000 1.474 409 K HN 0.279 nan 8.250 nan 0.000 0.295 410 K N 2.223 122.555 120.400 -0.112 0.000 2.312 410 K HA 0.103 4.420 4.320 -0.006 0.000 0.287 410 K C -0.144 176.372 176.600 -0.140 0.000 1.062 410 K CA -0.463 55.768 56.287 -0.095 0.000 0.934 410 K CB 0.501 32.966 32.500 -0.058 0.000 1.027 410 K HN 0.205 nan 8.250 nan 0.000 0.478 411 F N 3.487 123.203 119.950 -0.390 0.000 2.484 411 F HA 0.089 4.612 4.527 -0.006 0.000 0.360 411 F C -0.268 175.300 175.800 -0.387 0.000 1.101 411 F CA -0.139 57.600 58.000 -0.435 0.000 1.251 411 F CB 0.668 39.279 39.000 -0.649 0.000 1.132 411 F HN 0.097 nan 8.300 nan 0.000 0.570 412 V N 5.392 124.712 119.914 -0.989 0.000 2.531 412 V HA 0.718 4.834 4.120 -0.006 0.000 0.301 412 V C -0.604 175.056 176.094 -0.723 0.000 1.034 412 V CA -0.759 61.183 62.300 -0.597 0.000 0.865 412 V CB 1.296 32.926 31.823 -0.322 0.000 0.995 412 V HN 0.991 nan 8.190 nan 0.000 0.424 413 A N 5.040 127.672 122.820 -0.313 0.000 2.340 413 A HA 0.797 5.113 4.320 -0.006 0.000 0.297 413 A C -0.530 177.047 177.584 -0.011 0.000 1.195 413 A CA -0.686 51.288 52.037 -0.106 0.000 0.769 413 A CB 0.866 19.974 19.000 0.180 0.000 1.163 413 A HN 0.760 nan 8.150 nan 0.000 0.472 414 K N 2.263 122.657 120.400 -0.010 0.000 2.323 414 K HA 0.657 4.974 4.320 -0.006 0.000 0.259 414 K C -1.265 175.332 176.600 -0.005 0.000 0.947 414 K CA -0.248 56.057 56.287 0.031 0.000 0.819 414 K CB 2.188 34.735 32.500 0.078 0.000 1.109 414 K HN 0.672 nan 8.250 nan 0.000 0.429 415 I N 2.915 123.469 120.570 -0.026 0.000 2.378 415 I HA 0.275 4.441 4.170 -0.006 0.000 0.291 415 I C -0.588 175.531 176.117 0.004 0.000 0.992 415 I CA -1.212 60.020 61.300 -0.114 0.000 1.154 415 I CB 1.859 39.679 38.000 -0.300 0.000 1.315 415 I HN 0.166 nan 8.210 nan 0.000 0.448 416 V N 4.836 124.742 119.914 -0.014 0.000 2.370 416 V HA 0.444 4.560 4.120 -0.006 0.000 0.283 416 V C 0.319 176.396 176.094 -0.028 0.000 1.023 416 V CA -0.434 61.873 62.300 0.012 0.000 0.857 416 V CB 1.523 33.376 31.823 0.050 0.000 0.985 416 V HN 0.875 nan 8.190 nan 0.000 0.443 417 T N 0.806 115.371 114.554 0.018 0.000 2.912 417 T HA 0.433 4.779 4.350 -0.006 0.000 0.288 417 T C -0.190 174.466 174.700 -0.073 0.000 1.030 417 T CA -0.846 61.251 62.100 -0.005 0.000 1.020 417 T CB 1.611 70.559 68.868 0.133 0.000 1.056 417 T HN 0.471 nan 8.240 nan 0.000 0.480 418 N N 0.472 119.057 118.700 -0.191 0.000 2.399 418 N HA 0.063 4.800 4.740 -0.006 0.000 0.259 418 N C 0.647 176.177 175.510 0.034 0.000 1.160 418 N CA -0.028 52.893 53.050 -0.214 0.000 0.946 418 N CB 0.276 38.510 38.487 -0.422 0.000 1.156 418 N HN 0.838 nan 8.380 nan 0.000 0.489 419 H N 2.141 121.233 119.070 0.037 0.000 2.489 419 H HA 0.026 4.578 4.556 -0.006 0.000 0.293 419 H C 1.272 176.653 175.328 0.088 0.000 1.066 419 H CA 1.656 57.767 56.048 0.104 0.000 1.305 419 H CB 0.453 30.325 29.762 0.183 0.000 1.386 419 H HN 0.552 nan 8.280 nan 0.000 0.551 420 S N -0.259 115.480 115.700 0.065 0.000 2.399 420 S HA -0.124 4.342 4.470 -0.006 0.000 0.231 420 S C 1.032 175.608 174.600 -0.041 0.000 1.022 420 S CA 1.429 59.635 58.200 0.010 0.000 0.983 420 S CB 0.027 63.273 63.200 0.076 0.000 0.803 420 S HN 0.834 nan 8.310 nan 0.000 0.480 421 D N -2.165 118.217 120.400 -0.031 0.000 2.530 421 D HA 0.261 4.897 4.640 -0.006 0.000 0.253 421 D C 0.943 177.228 176.300 -0.025 0.000 1.338 421 D CA 0.554 54.538 54.000 -0.027 0.000 0.806 421 D CB -0.358 40.444 40.800 0.004 0.000 1.160 421 D HN 0.304 nan 8.370 nan 0.000 0.514 422 G N 0.154 108.940 108.800 -0.023 0.000 2.175 422 G HA2 -0.264 3.693 3.960 -0.006 0.000 0.244 422 G HA3 -0.264 3.693 3.960 -0.006 0.000 0.244 422 G C 0.387 175.287 174.900 0.001 0.000 0.982 422 G CA 0.283 45.386 45.100 0.005 0.000 0.641 422 G HN 0.439 nan 8.290 nan 0.000 0.527 423 T N 1.464 116.005 114.554 -0.022 0.000 2.888 423 T HA 0.411 4.757 4.350 -0.006 0.000 0.301 423 T C 0.783 175.447 174.700 -0.060 0.000 1.001 423 T CA 0.001 62.083 62.100 -0.030 0.000 1.147 423 T CB 2.084 70.927 68.868 -0.041 0.000 0.931 423 T HN 0.445 nan 8.240 nan 0.000 0.541 424 V N 5.786 125.684 119.914 -0.027 0.000 2.470 424 V HA 0.098 4.214 4.120 -0.006 0.000 0.276 424 V C 1.204 177.250 176.094 -0.080 0.000 1.040 424 V CA 0.164 62.427 62.300 -0.062 0.000 1.008 424 V CB 0.495 32.298 31.823 -0.032 0.000 0.990 424 V HN 0.826 nan 8.190 nan 0.000 0.477 425 L N 4.202 125.355 121.223 -0.118 0.000 2.513 425 L HA 0.482 4.818 4.340 -0.006 0.000 0.222 425 L C 1.004 177.833 176.870 -0.068 0.000 1.096 425 L CA 0.586 55.359 54.840 -0.110 0.000 0.857 425 L CB 0.250 42.196 42.059 -0.189 0.000 1.026 425 L HN 0.786 nan 8.230 nan 0.000 0.469 426 G N -0.314 108.426 108.800 -0.101 0.000 2.752 426 G HA2 0.520 4.476 3.960 -0.006 0.000 0.298 426 G HA3 0.520 4.476 3.960 -0.006 0.000 0.298 426 G C -1.862 172.837 174.900 -0.336 0.000 1.434 426 G CA -0.303 44.697 45.100 -0.166 0.000 1.004 426 G HN -0.282 nan 8.290 nan 0.000 0.560 427 V N 3.140 122.688 119.914 -0.609 0.000 2.686 427 V HA 0.622 4.738 4.120 -0.006 0.000 0.306 427 V C -1.089 174.570 176.094 -0.725 0.000 1.065 427 V CA -0.918 61.072 62.300 -0.516 0.000 0.894 427 V CB 1.967 33.596 31.823 -0.323 0.000 1.004 427 V HN 0.821 nan 8.190 nan 0.000 0.424 428 H N 5.380 124.404 119.070 -0.077 0.000 2.744 428 H HA 0.673 5.226 4.556 -0.006 0.000 0.339 428 H C -1.198 174.067 175.328 -0.106 0.000 1.004 428 H CA -0.452 55.559 56.048 -0.062 0.000 1.257 428 H CB 2.352 32.089 29.762 -0.042 0.000 1.552 428 H HN 0.430 nan 8.280 nan 0.000 0.522 429 L N 3.505 124.706 121.223 -0.038 0.000 2.401 429 L HA 0.421 4.758 4.340 -0.006 0.000 0.266 429 L C -1.022 175.720 176.870 -0.212 0.000 0.991 429 L CA -1.011 53.723 54.840 -0.177 0.000 0.818 429 L CB 2.783 44.792 42.059 -0.084 0.000 1.321 429 L HN 0.250 nan 8.230 nan 0.000 0.413 430 L N 2.317 123.289 121.223 -0.417 0.000 2.441 430 L HA 0.968 5.304 4.340 -0.006 0.000 0.270 430 L C -0.425 176.231 176.870 -0.356 0.000 0.973 430 L CA 0.229 54.884 54.840 -0.309 0.000 0.842 430 L CB 1.642 43.549 42.059 -0.253 0.000 1.239 430 L HN 0.697 nan 8.230 nan 0.000 0.406 431 G N 2.678 111.434 108.800 -0.073 0.000 2.350 431 G HA2 0.165 4.121 3.960 -0.006 0.000 0.305 431 G HA3 0.165 4.121 3.960 -0.006 0.000 0.305 431 G C -1.860 173.148 174.900 0.180 0.000 1.479 431 G CA -1.014 44.206 45.100 0.200 0.000 0.949 431 G HN 0.498 nan 8.290 nan 0.000 0.651 432 D N 0.045 120.548 120.400 0.172 0.000 2.488 432 D HA 0.410 5.047 4.640 -0.006 0.000 0.238 432 D C 1.554 177.921 176.300 0.113 0.000 1.138 432 D CA 2.036 56.106 54.000 0.117 0.000 0.873 432 D CB 0.984 41.861 40.800 0.128 0.000 1.183 432 D HN 1.849 nan 8.370 nan 0.000 0.458 433 G N 1.682 110.532 108.800 0.084 0.000 2.184 433 G HA2 -0.374 3.582 3.960 -0.006 0.000 0.264 433 G HA3 -0.374 3.582 3.960 -0.006 0.000 0.264 433 G C 1.267 176.214 174.900 0.079 0.000 0.975 433 G CA 0.982 46.127 45.100 0.075 0.000 0.642 433 G HN 0.723 nan 8.290 nan 0.000 0.536 434 A N 1.259 124.128 122.820 0.083 0.000 1.903 434 A HA 0.070 4.387 4.320 -0.006 0.000 0.219 434 A C 0.650 178.228 177.584 -0.009 0.000 1.191 434 A CA 2.663 54.732 52.037 0.054 0.000 0.638 434 A CB -1.212 17.783 19.000 -0.008 0.000 0.823 434 A HN 0.485 nan 8.150 nan 0.000 0.451 435 P HA -0.112 nan 4.420 nan 0.000 0.218 435 P C 1.217 178.533 177.300 0.025 0.000 1.149 435 P CA 1.118 64.175 63.100 -0.072 0.000 0.817 435 P CB 0.012 31.610 31.700 -0.170 0.000 0.785 436 E N -0.498 119.733 120.200 0.051 0.000 2.072 436 E HA -0.054 4.292 4.350 -0.006 0.000 0.190 436 E C 2.129 178.758 176.600 0.048 0.000 0.982 436 E CA 0.869 57.303 56.400 0.058 0.000 0.803 436 E CB -0.706 29.030 29.700 0.060 0.000 0.755 436 E HN 0.321 nan 8.360 nan 0.000 0.453 437 I N 0.724 121.327 120.570 0.054 0.000 2.226 437 I HA -0.244 3.922 4.170 -0.006 0.000 0.245 437 I C 2.391 178.545 176.117 0.060 0.000 1.100 437 I CA 0.642 61.982 61.300 0.066 0.000 1.374 437 I CB -0.173 37.887 38.000 0.101 0.000 1.057 437 I HN 0.027 nan 8.210 nan 0.000 0.413 438 I N 0.750 121.345 120.570 0.041 0.000 2.756 438 I HA -0.258 3.909 4.170 -0.006 0.000 0.262 438 I C 2.357 178.489 176.117 0.026 0.000 1.225 438 I CA 1.278 62.593 61.300 0.024 0.000 1.472 438 I CB -0.350 37.647 38.000 -0.006 0.000 1.094 438 I HN 0.213 nan 8.210 nan 0.000 0.454 439 Q N 1.043 120.860 119.800 0.029 0.000 1.993 439 Q HA -0.130 4.207 4.340 -0.006 0.000 0.202 439 Q C 2.251 178.264 176.000 0.021 0.000 0.984 439 Q CA 2.466 58.283 55.803 0.023 0.000 0.837 439 Q CB -0.590 28.163 28.738 0.025 0.000 0.902 439 Q HN 0.487 nan 8.270 nan 0.000 0.423 440 A N -0.420 122.415 122.820 0.024 0.000 2.070 440 A HA -0.092 4.224 4.320 -0.006 0.000 0.220 440 A C 2.240 179.844 177.584 0.033 0.000 1.159 440 A CA 1.388 53.435 52.037 0.017 0.000 0.656 440 A CB -0.681 18.323 19.000 0.006 0.000 0.800 440 A HN 0.295 nan 8.150 nan 0.000 0.453 441 V N -0.172 119.784 119.914 0.070 0.000 2.407 441 V HA -0.200 3.916 4.120 -0.006 0.000 0.248 441 V C 2.788 178.927 176.094 0.076 0.000 1.055 441 V CA 1.907 64.284 62.300 0.129 0.000 1.049 441 V CB -1.284 30.611 31.823 0.120 0.000 0.662 441 V HN 0.614 nan 8.190 nan 0.000 0.455 442 G N -0.387 108.432 108.800 0.032 0.000 2.450 442 G HA2 -0.190 3.766 3.960 -0.006 0.000 0.220 442 G HA3 -0.190 3.766 3.960 -0.006 0.000 0.220 442 G C 1.588 176.495 174.900 0.011 0.000 1.130 442 G CA 1.282 46.389 45.100 0.012 0.000 0.760 442 G HN 0.428 nan 8.290 nan 0.000 0.557 443 V N 0.292 120.212 119.914 0.010 0.000 2.407 443 V HA -0.135 3.981 4.120 -0.006 0.000 0.245 443 V C 2.990 179.080 176.094 -0.006 0.000 1.041 443 V CA 1.454 63.752 62.300 -0.004 0.000 1.040 443 V CB -0.490 31.325 31.823 -0.013 0.000 0.671 443 V HN 0.484 nan 8.190 nan 0.000 0.455 444 C N -0.029 119.270 119.300 -0.001 0.000 2.413 444 C HA -0.147 4.309 4.460 -0.006 0.000 0.276 444 C C 2.602 177.615 174.990 0.039 0.000 1.236 444 C CA 0.673 59.686 59.018 -0.009 0.000 1.735 444 C CB -1.131 26.603 27.740 -0.011 0.000 2.031 444 C HN 0.456 nan 8.230 nan 0.000 0.474 445 L N 0.659 121.919 121.223 0.061 0.000 2.093 445 L HA -0.055 4.281 4.340 -0.006 0.000 0.208 445 L C 2.666 179.548 176.870 0.021 0.000 1.085 445 L CA 1.609 56.476 54.840 0.044 0.000 0.755 445 L CB -0.825 41.249 42.059 0.025 0.000 0.904 445 L HN 0.280 nan 8.230 nan 0.000 0.435 446 R N -0.711 119.796 120.500 0.011 0.000 2.193 446 R HA -0.025 4.312 4.340 -0.006 0.000 0.229 446 R C 1.438 177.739 176.300 0.002 0.000 1.110 446 R CA 0.750 56.852 56.100 0.004 0.000 0.988 446 R CB -0.217 30.081 30.300 -0.004 0.000 0.871 446 R HN 0.341 nan 8.270 nan 0.000 0.458 447 L N 1.349 122.572 121.223 -0.000 0.000 2.685 447 L HA 0.093 4.430 4.340 -0.006 0.000 0.233 447 L C -0.304 176.566 176.870 -0.000 0.000 1.173 447 L CA -0.199 54.637 54.840 -0.006 0.000 0.961 447 L CB -0.106 41.940 42.059 -0.022 0.000 1.217 447 L HN 0.163 nan 8.230 nan 0.000 0.478 448 N N 0.935 119.642 118.700 0.012 0.000 2.708 448 N HA -0.203 4.533 4.740 -0.006 0.000 0.251 448 N C 0.465 175.989 175.510 0.022 0.000 1.017 448 N CA 0.960 54.022 53.050 0.019 0.000 0.742 448 N CB -0.997 37.500 38.487 0.017 0.000 0.943 448 N HN 0.413 nan 8.380 nan 0.000 0.539 449 A N -0.009 122.830 122.820 0.031 0.000 2.555 449 A HA 0.189 4.505 4.320 -0.006 0.000 0.233 449 A C 0.827 178.470 177.584 0.097 0.000 1.060 449 A CA 0.502 52.565 52.037 0.044 0.000 0.759 449 A CB 0.506 19.522 19.000 0.026 0.000 0.995 449 A HN 0.326 nan 8.150 nan 0.000 0.506 450 K N 0.967 121.420 120.400 0.089 0.000 2.185 450 K HA 0.409 4.725 4.320 -0.006 0.000 0.240 450 K C 0.964 177.646 176.600 0.137 0.000 0.983 450 K CA -0.820 55.514 56.287 0.078 0.000 0.873 450 K CB 1.340 33.863 32.500 0.038 0.000 1.118 450 K HN 0.533 nan 8.250 nan 0.000 0.441 451 I N 1.506 122.098 120.570 0.036 0.000 2.335 451 I HA -0.307 3.859 4.170 -0.006 0.000 0.251 451 I C 1.913 178.079 176.117 0.082 0.000 1.129 451 I CA 1.898 63.174 61.300 -0.041 0.000 1.402 451 I CB -0.199 37.577 38.000 -0.374 0.000 1.069 451 I HN 0.745 nan 8.210 nan 0.000 0.424 452 S N -0.420 115.322 115.700 0.070 0.000 2.402 452 S HA -0.180 4.286 4.470 -0.006 0.000 0.229 452 S C 1.802 176.473 174.600 0.118 0.000 1.021 452 S CA 1.143 59.407 58.200 0.108 0.000 0.974 452 S CB -0.774 62.465 63.200 0.065 0.000 0.800 452 S HN 0.491 nan 8.310 nan 0.000 0.484 453 D N 1.271 121.713 120.400 0.070 0.000 2.104 453 D HA -0.073 4.563 4.640 -0.006 0.000 0.194 453 D C 1.571 177.825 176.300 -0.075 0.000 0.994 453 D CA 1.144 55.129 54.000 -0.025 0.000 0.830 453 D CB -0.498 40.251 40.800 -0.084 0.000 0.959 453 D HN 0.423 nan 8.370 nan 0.000 0.452 454 F N 0.162 120.106 119.950 -0.010 0.000 2.069 454 F HA -0.220 4.303 4.527 -0.006 0.000 0.298 454 F C 2.499 178.305 175.800 0.009 0.000 1.113 454 F CA 1.204 59.196 58.000 -0.014 0.000 1.214 454 F CB -0.799 38.176 39.000 -0.041 0.000 0.978 454 F HN -0.010 nan 8.300 nan 0.000 0.474 455 Y N 0.975 121.345 120.300 0.116 0.000 2.242 455 Y HA -0.202 4.344 4.550 -0.006 0.000 0.291 455 Y C 2.155 178.070 175.900 0.026 0.000 1.137 455 Y CA 1.530 59.663 58.100 0.054 0.000 1.181 455 Y CB -0.533 37.941 38.460 0.025 0.000 0.989 455 Y HN -0.051 nan 8.280 nan 0.000 0.527 456 N N -0.320 118.426 118.700 0.077 0.000 2.453 456 N HA -0.072 4.664 4.740 -0.006 0.000 0.183 456 N C 0.125 175.582 175.510 -0.088 0.000 1.041 456 N CA 1.074 54.116 53.050 -0.013 0.000 0.900 456 N CB -0.457 38.058 38.487 0.046 0.000 0.961 456 N HN 0.182 nan 8.380 nan 0.000 0.443 457 T N 1.448 115.944 114.554 -0.097 0.000 2.884 457 T HA 0.293 4.640 4.350 -0.006 0.000 0.298 457 T C 0.819 175.450 174.700 -0.114 0.000 0.998 457 T CA -0.368 61.670 62.100 -0.103 0.000 1.124 457 T CB 1.050 69.847 68.868 -0.119 0.000 0.931 457 T HN -0.027 nan 8.240 nan 0.000 0.531 458 I N 2.631 123.145 120.570 -0.094 0.000 2.496 458 I HA 0.236 4.402 4.170 -0.006 0.000 0.285 458 I C 1.496 177.576 176.117 -0.062 0.000 1.080 458 I CA -0.306 60.940 61.300 -0.090 0.000 1.404 458 I CB 0.408 38.366 38.000 -0.071 0.000 1.403 458 I HN 0.676 nan 8.210 nan 0.000 0.539 459 G N 5.719 114.483 108.800 -0.061 0.000 2.391 459 G HA2 0.227 4.183 3.960 -0.006 0.000 0.234 459 G HA3 0.227 4.183 3.960 -0.006 0.000 0.234 459 G C -0.183 174.723 174.900 0.010 0.000 1.284 459 G CA -0.431 44.658 45.100 -0.018 0.000 0.873 459 G HN 0.405 nan 8.290 nan 0.000 0.549 460 V N 3.130 123.060 119.914 0.027 0.000 2.432 460 V HA 0.271 4.388 4.120 -0.006 0.000 0.275 460 V C -0.001 176.145 176.094 0.086 0.000 1.043 460 V CA -0.394 61.928 62.300 0.038 0.000 0.925 460 V CB 1.007 32.838 31.823 0.014 0.000 0.985 460 V HN 0.873 nan 8.190 nan 0.000 0.466 461 H N 5.953 125.006 119.070 -0.029 0.000 2.529 461 H HA 0.721 5.273 4.556 -0.006 0.000 0.348 461 H C -2.621 172.691 175.328 -0.027 0.000 1.079 461 H CA -1.871 54.159 56.048 -0.031 0.000 1.198 461 H CB 2.022 31.764 29.762 -0.033 0.000 1.521 461 H HN 0.515 nan 8.280 nan 0.000 0.514 462 P HA 0.351 nan 4.420 nan 0.000 0.301 462 P C -1.275 175.920 177.300 -0.176 0.000 1.338 462 P CA -0.643 62.159 63.100 -0.497 0.000 0.834 462 P CB 1.601 32.951 31.700 -0.583 0.000 0.967 463 T N -2.151 112.359 114.554 -0.073 0.000 2.841 463 T HA 0.363 4.709 4.350 -0.006 0.000 0.296 463 T C 0.810 175.458 174.700 -0.086 0.000 1.166 463 T CA -0.582 61.477 62.100 -0.068 0.000 1.007 463 T CB 1.164 70.013 68.868 -0.033 0.000 1.253 463 T HN -0.011 nan 8.240 nan 0.000 0.511 464 S N 0.347 115.940 115.700 -0.179 0.000 2.387 464 S HA 0.048 4.514 4.470 -0.006 0.000 0.226 464 S C 2.465 176.954 174.600 -0.184 0.000 1.026 464 S CA 0.919 58.874 58.200 -0.408 0.000 0.972 464 S CB -0.829 61.860 63.200 -0.852 0.000 0.814 464 S HN 0.923 nan 8.310 nan 0.000 0.477 465 A N 2.297 125.091 122.820 -0.043 0.000 1.978 465 A HA -0.203 4.113 4.320 -0.006 0.000 0.220 465 A C 2.016 179.657 177.584 0.095 0.000 1.170 465 A CA 1.678 53.757 52.037 0.070 0.000 0.636 465 A CB -0.664 18.372 19.000 0.062 0.000 0.810 465 A HN 0.771 nan 8.150 nan 0.000 0.448 466 E N -0.472 119.767 120.200 0.064 0.000 2.265 466 E HA -0.230 4.116 4.350 -0.006 0.000 0.196 466 E C 1.546 178.203 176.600 0.096 0.000 0.996 466 E CA 1.207 57.650 56.400 0.073 0.000 0.832 466 E CB -0.240 29.500 29.700 0.066 0.000 0.756 466 E HN 0.478 nan 8.360 nan 0.000 0.491 467 E N 1.341 121.621 120.200 0.132 0.000 2.160 467 E HA -0.125 4.221 4.350 -0.006 0.000 0.195 467 E C 1.910 178.617 176.600 0.178 0.000 0.991 467 E CA 0.948 57.464 56.400 0.194 0.000 0.810 467 E CB -0.253 29.655 29.700 0.346 0.000 0.742 467 E HN 0.412 nan 8.360 nan 0.000 0.466 468 L N -0.908 120.416 121.223 0.169 0.000 2.353 468 L HA -0.168 4.168 4.340 -0.006 0.000 0.220 468 L C 1.361 178.342 176.870 0.184 0.000 1.133 468 L CA 0.574 55.493 54.840 0.131 0.000 0.798 468 L CB -0.077 42.084 42.059 0.169 0.000 0.922 468 L HN 0.244 nan 8.230 nan 0.000 0.445 469 C N -1.600 117.794 119.300 0.157 0.000 3.000 469 C HA 0.187 4.643 4.460 -0.006 0.000 0.286 469 C C 1.855 176.847 174.990 0.003 0.000 1.343 469 C CA -0.235 58.850 59.018 0.112 0.000 1.742 469 C CB -0.473 27.295 27.740 0.046 0.000 2.200 469 C HN 0.369 nan 8.230 nan 0.000 0.621 470 S N -0.105 115.652 115.700 0.096 0.000 2.603 470 S HA 0.302 4.769 4.470 -0.006 0.000 0.232 470 S C 0.253 175.058 174.600 0.341 0.000 1.016 470 S CA -0.090 58.185 58.200 0.125 0.000 0.976 470 S CB 0.020 63.266 63.200 0.075 0.000 0.921 470 S HN 0.520 nan 8.310 nan 0.000 0.516 471 M N 2.742 122.540 119.600 0.329 0.000 2.063 471 M HA 0.350 4.826 4.480 -0.006 0.000 0.348 471 M C 0.843 177.274 176.300 0.220 0.000 1.180 471 M CA -0.164 55.299 55.300 0.272 0.000 1.059 471 M CB 0.980 33.693 32.600 0.188 0.000 1.544 471 M HN 0.228 nan 8.290 nan 0.000 0.447 472 R N -0.135 120.424 120.500 0.099 0.000 2.521 472 R HA 0.282 4.618 4.340 -0.006 0.000 0.289 472 R C -0.443 175.938 176.300 0.136 0.000 0.936 472 R CA -0.163 55.825 56.100 -0.187 0.000 1.089 472 R CB 0.381 30.096 30.300 -0.974 0.000 1.348 472 R HN 0.351 nan 8.270 nan 0.000 0.536 473 T N 3.258 117.911 114.554 0.165 0.000 2.786 473 T HA 0.425 4.771 4.350 -0.006 0.000 0.283 473 T C -2.666 171.877 174.700 -0.262 0.000 0.992 473 T CA -1.760 60.352 62.100 0.019 0.000 0.954 473 T CB 2.070 70.936 68.868 -0.003 0.000 0.934 473 T HN -0.082 nan 8.240 nan 0.000 0.440 474 P HA 0.163 nan 4.420 nan 0.000 0.268 474 P C 0.476 177.391 177.300 -0.642 0.000 1.208 474 P CA -0.004 62.388 63.100 -1.180 0.000 0.777 474 P CB 0.534 31.362 31.700 -1.453 0.000 0.875 475 S N 0.585 115.922 115.700 -0.605 0.000 2.425 475 S HA 0.069 4.535 4.470 -0.006 0.000 0.225 475 S C 0.214 174.703 174.600 -0.185 0.000 1.024 475 S CA 0.855 58.897 58.200 -0.263 0.000 0.951 475 S CB -0.505 62.630 63.200 -0.109 0.000 0.796 475 S HN 0.696 nan 8.310 nan 0.000 0.498 476 Y N -2.743 117.235 120.300 -0.538 0.000 2.952 476 Y HA 0.638 5.184 4.550 -0.006 0.000 0.346 476 Y C -1.819 173.598 175.900 -0.806 0.000 1.388 476 Y CA -2.138 55.680 58.100 -0.471 0.000 1.097 476 Y CB 0.547 38.859 38.460 -0.246 0.000 1.732 476 Y HN -0.085 nan 8.280 nan 0.000 0.431 477 Y N -1.091 119.194 120.300 -0.025 0.000 2.638 477 Y HA 0.650 5.197 4.550 -0.006 0.000 0.335 477 Y C -1.692 174.128 175.900 -0.134 0.000 1.155 477 Y CA -1.437 56.610 58.100 -0.088 0.000 1.046 477 Y CB 2.156 40.538 38.460 -0.130 0.000 1.303 477 Y HN 0.583 nan 8.280 nan 0.000 0.460 478 Y N 0.690 121.123 120.300 0.223 0.000 2.376 478 Y HA 0.702 5.248 4.550 -0.006 0.000 0.340 478 Y C -0.792 175.196 175.900 0.148 0.000 0.965 478 Y CA -1.144 57.058 58.100 0.170 0.000 1.078 478 Y CB 1.971 40.517 38.460 0.144 0.000 1.193 478 Y HN 0.238 nan 8.280 nan 0.000 0.452 479 V N 2.897 122.943 119.914 0.220 0.000 2.656 479 V HA 0.350 4.466 4.120 -0.006 0.000 0.307 479 V C -0.164 176.011 176.094 0.133 0.000 1.051 479 V CA -1.778 60.615 62.300 0.155 0.000 0.893 479 V CB 1.664 33.536 31.823 0.082 0.000 0.999 479 V HN 0.603 nan 8.190 nan 0.000 0.426 480 K N 3.142 123.614 120.400 0.120 0.000 3.264 480 K HA -0.235 4.082 4.320 -0.006 0.000 0.267 480 K C 1.198 177.865 176.600 0.110 0.000 0.886 480 K CA 1.295 57.641 56.287 0.098 0.000 0.665 480 K CB -1.527 31.012 32.500 0.066 0.000 1.447 480 K HN 1.776 nan 8.250 nan 0.000 0.464 481 G N -1.075 107.821 108.800 0.160 0.000 2.199 481 G HA2 -0.365 3.591 3.960 -0.006 0.000 0.254 481 G HA3 -0.365 3.591 3.960 -0.006 0.000 0.254 481 G C -0.177 174.876 174.900 0.255 0.000 0.982 481 G CA 0.473 45.679 45.100 0.176 0.000 0.632 481 G HN 0.653 nan 8.290 nan 0.000 0.529 482 E N 0.238 120.565 120.200 0.213 0.000 2.195 482 E HA 0.704 5.050 4.350 -0.006 0.000 0.271 482 E C 0.066 176.708 176.600 0.069 0.000 0.923 482 E CA -1.085 55.413 56.400 0.164 0.000 0.790 482 E CB 1.714 31.460 29.700 0.078 0.000 1.155 482 E HN 0.250 nan 8.360 nan 0.000 0.402 483 K N 3.520 123.872 120.400 -0.081 0.000 2.258 483 K HA 0.266 4.582 4.320 -0.006 0.000 0.264 483 K C -0.427 176.053 176.600 -0.201 0.000 1.007 483 K CA -0.014 56.015 56.287 -0.429 0.000 0.941 483 K CB 0.496 32.694 32.500 -0.504 0.000 0.966 483 K HN 0.756 nan 8.250 nan 0.000 0.480 484 M N 1.026 120.530 119.600 -0.159 0.000 2.694 484 M HA 0.264 4.740 4.480 -0.006 0.000 0.276 484 M C -0.738 175.593 176.300 0.051 0.000 1.167 484 M CA -0.830 54.438 55.300 -0.053 0.000 0.849 484 M CB 1.729 34.313 32.600 -0.027 0.000 1.705 484 M HN 0.384 nan 8.290 nan 0.000 0.504 485 E N 0.598 120.828 120.200 0.050 0.000 2.415 485 E HA 0.328 4.674 4.350 -0.006 0.000 0.197 485 E C -0.321 176.388 176.600 0.182 0.000 1.007 485 E CA 0.544 57.013 56.400 0.115 0.000 0.890 485 E CB 0.686 30.407 29.700 0.034 0.000 0.891 485 E HN 0.511 nan 8.360 nan 0.000 0.496 486 K N 0.691 121.140 120.400 0.083 0.000 2.482 486 K HA 0.336 4.652 4.320 -0.006 0.000 0.257 486 K C -0.828 175.632 176.600 -0.233 0.000 0.969 486 K CA -1.143 55.122 56.287 -0.036 0.000 0.842 486 K CB 2.258 34.743 32.500 -0.026 0.000 1.359 486 K HN -0.116 nan 8.250 nan 0.000 0.441 487 L N 3.699 124.643 121.223 -0.465 0.000 2.410 487 L HA 0.213 4.549 4.340 -0.006 0.000 0.273 487 L C -1.356 175.397 176.870 -0.195 0.000 1.152 487 L CA -1.215 53.368 54.840 -0.428 0.000 0.855 487 L CB -0.832 40.923 42.059 -0.508 0.000 1.129 487 L HN 0.547 nan 8.230 nan 0.000 0.463 488 P HA 0.000 nan 4.420 nan 0.000 0.216 488 P CA 0.000 63.056 63.100 -0.074 0.000 0.800 488 P CB 0.000 31.670 31.700 -0.050 0.000 0.726