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 2wov_1_A DATA FIRST_RESID -1 DATA SEQUENCE SHMSKAFDLV VIGAGSGGLE AGWNAATLYG KRVAVVDVQT SHGPPFYAAL DATA SEQUENCE GGTCVNVGCV PKKLMVTGAQ YMDHLRESAG FGWEFDGSSV KANWKKLIAA DATA SEQUENCE KNEAVLDINK SYEGMFNDTE GLDFFLGWGS LESKNVVVVR ETADPKSAVK DATA SEQUENCE ERLQADHILL ATGSWPQMPA IPGIEHCISS NEAFYLPEPP RRVLTVGGGF DATA SEQUENCE ISVEFAGIFN AYKPPGGKVT LCYRNNLILR GFDETIREEV TKQLTANGIE DATA SEQUENCE IMTNENPAKV SLNTDGSKHV TFESGKTLDV DVVMMAIGRI PRTNDLQLGN DATA SEQUENCE VGVKLTPKGG VQVDEFSRTN VPNIYAIGDI TDRLMLTPVA INEGAALVDT DATA SEQUENCE VFGNKPRKTD HTRVASAVFS IPPIGTCGLI EEVAAKEFEK VAVYMSSFTP DATA SEQUENCE LMHNISGSKY KKFVAKIVTN HSDGTVLGVH LLGDGAPEII QAVGVCLRLN DATA SEQUENCE AKISDFYNTI GVHPTSAEEL CSMRTPSYYY 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 0.000 174.363 174.600 -0.395 0.000 1.055 -1 S CA 0.000 58.026 58.200 -0.290 0.000 1.107 -1 S CB 0.000 63.151 63.200 -0.082 0.000 0.593 0 H N 0.410 119.491 119.070 0.019 0.000 2.528 0 H HA 0.362 4.918 4.556 -0.000 0.000 0.282 0 H C -0.330 175.005 175.328 0.011 0.000 1.097 0 H CA 0.139 56.196 56.048 0.016 0.000 1.121 0 H CB 0.161 29.930 29.762 0.012 0.000 1.590 0 H HN 0.282 nan 8.280 nan 0.000 0.553 1 M N 1.327 120.965 119.600 0.062 0.000 2.367 1 M HA 0.203 4.683 4.480 -0.000 0.000 0.339 1 M C 0.867 177.178 176.300 0.018 0.000 1.177 1 M CA -0.553 54.769 55.300 0.036 0.000 1.068 1 M CB 1.743 34.354 32.600 0.018 0.000 1.602 1 M HN 0.033 nan 8.290 nan 0.000 0.457 2 S N 2.319 118.023 115.700 0.007 0.000 2.593 2 S HA 0.367 4.837 4.470 -0.000 0.000 0.269 2 S C -0.378 174.209 174.600 -0.022 0.000 1.334 2 S CA -0.651 57.546 58.200 -0.006 0.000 1.015 2 S CB 0.787 63.979 63.200 -0.012 0.000 0.912 2 S HN 0.569 nan 8.310 nan 0.000 0.541 3 K N 0.692 121.081 120.400 -0.019 0.000 2.156 3 K HA 0.736 5.056 4.320 -0.000 0.000 0.250 3 K C -0.681 175.780 176.600 -0.231 0.000 0.955 3 K CA -0.828 55.392 56.287 -0.113 0.000 0.855 3 K CB 1.704 34.189 32.500 -0.024 0.000 1.101 3 K HN 0.757 nan 8.250 nan 0.000 0.434 4 A N 2.426 124.950 122.820 -0.494 0.000 2.331 4 A HA 0.778 5.098 4.320 -0.000 0.000 0.320 4 A C -1.198 175.974 177.584 -0.688 0.000 1.138 4 A CA -0.651 51.162 52.037 -0.374 0.000 0.790 4 A CB 0.291 19.174 19.000 -0.194 0.000 1.206 4 A HN 0.563 nan 8.150 nan 0.000 0.470 5 F N 0.192 120.156 119.950 0.023 0.000 2.593 5 F HA 0.379 4.906 4.527 -0.000 0.000 0.320 5 F C 0.801 176.650 175.800 0.082 0.000 1.060 5 F CA -0.722 57.310 58.000 0.054 0.000 0.940 5 F CB 1.738 40.778 39.000 0.065 0.000 1.268 5 F HN 0.589 nan 8.300 nan 0.000 0.475 6 D N 0.506 121.070 120.400 0.274 0.000 2.183 6 D HA 0.013 4.653 4.640 -0.000 0.000 0.203 6 D C -0.113 176.449 176.300 0.435 0.000 0.969 6 D CA 1.523 55.695 54.000 0.285 0.000 0.842 6 D CB 0.459 41.334 40.800 0.124 0.000 0.957 6 D HN 0.155 nan 8.370 nan 0.000 0.484 7 L N 0.403 121.846 121.223 0.366 0.000 2.543 7 L HA 0.276 4.616 4.340 -0.000 0.000 0.265 7 L C -1.512 175.484 176.870 0.210 0.000 0.945 7 L CA -0.604 54.452 54.840 0.361 0.000 0.869 7 L CB 2.299 44.583 42.059 0.375 0.000 1.294 7 L HN -0.365 nan 8.230 nan 0.000 0.405 8 V N 5.270 125.273 119.914 0.149 0.000 2.435 8 V HA 0.635 4.755 4.120 -0.000 0.000 0.290 8 V C -0.439 175.692 176.094 0.062 0.000 1.030 8 V CA -0.661 61.643 62.300 0.007 0.000 0.881 8 V CB 1.811 33.598 31.823 -0.060 0.000 0.983 8 V HN 0.513 nan 8.190 nan 0.000 0.445 9 V N 6.091 126.029 119.914 0.040 0.000 2.417 9 V HA 0.504 4.624 4.120 -0.000 0.000 0.291 9 V C -0.171 175.939 176.094 0.027 0.000 1.024 9 V CA -0.474 61.869 62.300 0.072 0.000 0.861 9 V CB 1.672 33.561 31.823 0.111 0.000 0.985 9 V HN 0.671 nan 8.190 nan 0.000 0.436 10 I N 4.351 124.937 120.570 0.026 0.000 2.307 10 I HA 0.710 4.880 4.170 -0.000 0.000 0.289 10 I C 0.735 176.854 176.117 0.004 0.000 1.021 10 I CA -0.097 61.198 61.300 -0.008 0.000 1.224 10 I CB 1.215 39.209 38.000 -0.010 0.000 1.376 10 I HN 0.913 nan 8.210 nan 0.000 0.470 11 G N 4.595 113.387 108.800 -0.013 0.000 3.448 11 G HA2 0.096 4.056 3.960 -0.000 0.000 0.685 11 G HA3 0.096 4.056 3.960 -0.000 0.000 0.685 11 G C -0.321 174.602 174.900 0.038 0.000 1.151 11 G CA -0.411 44.688 45.100 -0.003 0.000 1.023 11 G HN 0.937 nan 8.290 nan 0.000 0.499 12 A N 1.804 124.652 122.820 0.048 0.000 3.260 12 A HA 0.780 5.100 4.320 -0.000 0.000 0.268 12 A C 1.284 178.866 177.584 -0.005 0.000 1.491 12 A CA 1.117 53.196 52.037 0.071 0.000 1.181 12 A CB -0.224 18.861 19.000 0.141 0.000 1.137 12 A HN 2.018 nan 8.150 nan 0.000 0.642 13 G N -0.821 107.984 108.800 0.009 0.000 2.990 13 G HA2 0.416 4.376 3.960 -0.000 0.000 0.208 13 G HA3 0.416 4.376 3.960 -0.000 0.000 0.208 13 G C 1.018 175.915 174.900 -0.005 0.000 1.334 13 G CA 0.466 45.567 45.100 0.001 0.000 1.024 13 G HN 0.243 nan 8.290 nan 0.000 0.574 14 S N -0.200 115.511 115.700 0.018 0.000 2.359 14 S HA -0.141 4.329 4.470 -0.000 0.000 0.222 14 S C 2.474 177.094 174.600 0.032 0.000 1.038 14 S CA 1.910 60.123 58.200 0.022 0.000 1.051 14 S CB -0.803 62.419 63.200 0.036 0.000 0.944 14 S HN 0.800 nan 8.310 nan 0.000 0.433 15 G N 0.812 109.640 108.800 0.047 0.000 2.402 15 G HA2 0.004 3.964 3.960 -0.000 0.000 0.216 15 G HA3 0.004 3.964 3.960 -0.000 0.000 0.216 15 G C 1.406 176.349 174.900 0.071 0.000 1.162 15 G CA 0.943 46.079 45.100 0.061 0.000 0.777 15 G HN 0.571 nan 8.290 nan 0.000 0.539 16 G N 0.727 109.567 108.800 0.067 0.000 2.394 16 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.214 16 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.214 16 G C 1.798 176.759 174.900 0.101 0.000 1.176 16 G CA 0.533 45.686 45.100 0.088 0.000 0.786 16 G HN 0.384 nan 8.290 nan 0.000 0.533 17 L N 0.201 121.458 121.223 0.057 0.000 1.990 17 L HA -0.152 4.188 4.340 -0.000 0.000 0.213 17 L C 2.829 179.751 176.870 0.086 0.000 1.072 17 L CA 1.907 56.763 54.840 0.026 0.000 0.755 17 L CB -0.388 41.587 42.059 -0.139 0.000 0.889 17 L HN 0.304 nan 8.230 nan 0.000 0.432 18 E N 0.175 120.424 120.200 0.082 0.000 2.051 18 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 18 E C 2.071 178.781 176.600 0.184 0.000 0.991 18 E CA 1.498 57.979 56.400 0.134 0.000 0.799 18 E CB -0.111 29.647 29.700 0.097 0.000 0.748 18 E HN 0.389 nan 8.360 nan 0.000 0.449 19 A N 0.427 123.336 122.820 0.148 0.000 1.859 19 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 19 A C 2.515 180.206 177.584 0.178 0.000 1.198 19 A CA 2.244 54.374 52.037 0.155 0.000 0.629 19 A CB -1.667 17.413 19.000 0.134 0.000 0.830 19 A HN 0.451 nan 8.150 nan 0.000 0.446 20 G N -1.392 107.517 108.800 0.182 0.000 2.480 20 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.216 20 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.216 20 G C 1.555 176.559 174.900 0.175 0.000 1.200 20 G CA 1.067 46.278 45.100 0.186 0.000 0.782 20 G HN 0.716 nan 8.290 nan 0.000 0.554 21 W N 1.743 123.042 121.300 -0.001 0.000 2.318 21 W HA -0.171 4.489 4.660 -0.000 0.000 0.313 21 W C 2.108 178.626 176.519 -0.002 0.000 1.221 21 W CA 1.641 58.964 57.345 -0.037 0.000 1.266 21 W CB -0.344 29.078 29.460 -0.064 0.000 1.150 21 W HN 0.176 nan 8.180 nan 0.000 0.496 22 N N 0.898 119.659 118.700 0.102 0.000 2.084 22 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 22 N C 2.013 177.518 175.510 -0.009 0.000 1.030 22 N CA 2.556 55.607 53.050 0.002 0.000 0.849 22 N CB -1.201 37.385 38.487 0.166 0.000 1.012 22 N HN 0.195 nan 8.380 nan 0.000 0.423 23 A N 0.697 123.564 122.820 0.078 0.000 1.908 23 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 23 A C 2.299 179.826 177.584 -0.095 0.000 1.181 23 A CA 2.203 54.261 52.037 0.035 0.000 0.627 23 A CB -0.978 18.004 19.000 -0.031 0.000 0.818 23 A HN 0.349 nan 8.150 nan 0.000 0.445 24 A N -0.586 122.149 122.820 -0.142 0.000 1.832 24 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 24 A C 2.513 179.922 177.584 -0.293 0.000 1.204 24 A CA 2.661 54.587 52.037 -0.185 0.000 0.606 24 A CB -1.431 17.477 19.000 -0.152 0.000 0.849 24 A HN 0.789 nan 8.150 nan 0.000 0.445 25 T N -1.694 112.543 114.554 -0.527 0.000 2.857 25 T HA 0.030 4.380 4.350 -0.000 0.000 0.266 25 T C 1.860 176.306 174.700 -0.423 0.000 1.048 25 T CA 1.382 63.123 62.100 -0.600 0.000 1.139 25 T CB -0.462 67.757 68.868 -1.081 0.000 0.874 25 T HN 0.240 nan 8.240 nan 0.000 0.455 26 L N -1.386 119.582 121.223 -0.425 0.000 2.068 26 L HA 0.138 4.478 4.340 -0.000 0.000 0.204 26 L C 1.926 178.486 176.870 -0.517 0.000 1.076 26 L CA 1.226 55.767 54.840 -0.498 0.000 0.753 26 L CB -0.298 41.374 42.059 -0.644 0.000 0.910 26 L HN 0.235 nan 8.230 nan 0.000 0.439 27 Y N -0.587 119.624 120.300 -0.149 0.000 2.531 27 Y HA 0.316 4.866 4.550 0.000 0.000 0.249 27 Y C 1.609 177.420 175.900 -0.148 0.000 1.168 27 Y CA 0.003 58.029 58.100 -0.123 0.000 1.226 27 Y CB 0.275 38.666 38.460 -0.116 0.000 1.177 27 Y HN 0.210 nan 8.280 nan 0.000 0.527 28 G N 0.732 109.498 108.800 -0.056 0.000 2.233 28 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.270 28 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.270 28 G C 0.311 175.161 174.900 -0.083 0.000 1.011 28 G CA 0.127 45.184 45.100 -0.071 0.000 0.762 28 G HN 0.073 nan 8.290 nan 0.000 0.511 29 K N 0.029 120.343 120.400 -0.144 0.000 2.202 29 K HA 0.340 4.660 4.320 -0.000 0.000 0.264 29 K C 0.948 177.497 176.600 -0.085 0.000 1.010 29 K CA -0.406 55.758 56.287 -0.205 0.000 0.940 29 K CB 0.656 32.826 32.500 -0.549 0.000 0.983 29 K HN 0.368 nan 8.250 nan 0.000 0.475 30 R N 0.881 121.375 120.500 -0.009 0.000 2.265 30 R HA 0.351 4.691 4.340 -0.000 0.000 0.314 30 R C -0.428 176.022 176.300 0.250 0.000 1.053 30 R CA -0.492 55.685 56.100 0.129 0.000 0.931 30 R CB 0.835 31.201 30.300 0.110 0.000 1.024 30 R HN 0.195 nan 8.270 nan 0.000 0.457 31 V N 1.773 121.878 119.914 0.318 0.000 2.789 31 V HA 0.663 4.782 4.120 -0.000 0.000 0.311 31 V C -0.585 175.586 176.094 0.128 0.000 1.073 31 V CA -0.897 61.537 62.300 0.224 0.000 0.921 31 V CB 2.033 33.941 31.823 0.142 0.000 1.009 31 V HN 0.905 nan 8.190 nan 0.000 0.426 32 A N 3.515 126.202 122.820 -0.222 0.000 2.365 32 A HA 0.947 5.267 4.320 -0.000 0.000 0.318 32 A C -1.160 176.373 177.584 -0.086 0.000 1.091 32 A CA -0.595 51.202 52.037 -0.401 0.000 0.763 32 A CB 1.860 20.088 19.000 -1.288 0.000 1.248 32 A HN 0.742 nan 8.150 nan 0.000 0.442 33 V N 2.053 121.986 119.914 0.031 0.000 2.588 33 V HA 0.562 4.682 4.120 -0.000 0.000 0.304 33 V C -0.571 175.466 176.094 -0.096 0.000 1.042 33 V CA -0.562 61.773 62.300 0.058 0.000 0.877 33 V CB 1.689 33.692 31.823 0.300 0.000 0.996 33 V HN 0.707 nan 8.190 nan 0.000 0.425 34 V N 3.175 123.024 119.914 -0.109 0.000 2.495 34 V HA 0.684 4.804 4.120 -0.000 0.000 0.298 34 V C -0.608 175.397 176.094 -0.149 0.000 1.031 34 V CA -0.366 61.786 62.300 -0.246 0.000 0.871 34 V CB 1.864 33.568 31.823 -0.199 0.000 0.988 34 V HN 0.947 nan 8.190 nan 0.000 0.432 35 D N 1.304 121.597 120.400 -0.180 0.000 2.583 35 D HA 0.338 4.978 4.640 -0.000 0.000 0.248 35 D C 0.430 176.598 176.300 -0.221 0.000 1.209 35 D CA -0.286 53.661 54.000 -0.088 0.000 0.848 35 D CB 3.030 43.930 40.800 0.167 0.000 1.431 35 D HN 0.413 nan 8.370 nan 0.000 0.436 36 V N -0.662 119.008 119.914 -0.406 0.000 3.406 36 V HA 0.271 4.391 4.120 -0.000 0.000 0.263 36 V C 0.409 176.415 176.094 -0.146 0.000 1.172 36 V CA 0.874 62.802 62.300 -0.619 0.000 1.140 36 V CB 0.016 30.984 31.823 -1.425 0.000 0.784 36 V HN 0.471 nan 8.190 nan 0.000 0.467 37 Q N -0.290 119.521 119.800 0.019 0.000 2.386 37 Q HA 0.317 4.657 4.340 -0.000 0.000 0.274 37 Q C 0.472 176.522 176.000 0.082 0.000 1.011 37 Q CA 0.397 56.265 55.803 0.108 0.000 0.867 37 Q CB 2.181 31.020 28.738 0.168 0.000 1.409 37 Q HN 0.432 nan 8.270 nan 0.000 0.395 38 T N -1.541 113.043 114.554 0.051 0.000 3.054 38 T HA 0.140 4.490 4.350 -0.000 0.000 0.259 38 T C 0.767 175.446 174.700 -0.035 0.000 1.092 38 T CA 0.890 62.969 62.100 -0.035 0.000 1.121 38 T CB 0.013 68.862 68.868 -0.032 0.000 0.912 38 T HN 0.490 nan 8.240 nan 0.000 0.489 39 S N 0.811 116.499 115.700 -0.019 0.000 2.685 39 S HA 0.551 5.021 4.470 -0.000 0.000 0.282 39 S C -0.546 174.033 174.600 -0.035 0.000 1.159 39 S CA -1.114 57.072 58.200 -0.024 0.000 0.833 39 S CB 0.994 64.148 63.200 -0.078 0.000 1.151 39 S HN 0.699 nan 8.310 nan 0.000 0.485 40 H N -0.537 118.557 119.070 0.040 0.000 2.671 40 H HA 0.693 5.249 4.556 -0.000 0.000 0.372 40 H C 0.776 176.108 175.328 0.007 0.000 1.227 40 H CA 0.387 56.479 56.048 0.073 0.000 1.426 40 H CB -0.270 29.569 29.762 0.128 0.000 1.480 40 H HN 1.653 nan 8.280 nan 0.000 0.611 41 G N 0.280 109.112 108.800 0.054 0.000 2.566 41 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.599 41 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.599 41 G C -2.900 171.525 174.900 -0.792 0.000 1.292 41 G CA -0.816 43.964 45.100 -0.533 0.000 0.922 41 G HN 0.793 nan 8.290 nan 0.000 0.514 42 P HA 0.169 nan 4.420 nan 0.000 0.266 42 P C -1.607 175.350 177.300 -0.573 0.000 1.193 42 P CA -0.383 62.171 63.100 -0.909 0.000 0.770 42 P CB 0.407 31.763 31.700 -0.574 0.000 0.836 43 P HA 0.131 nan 4.420 nan 0.000 0.257 43 P C 0.349 177.361 177.300 -0.481 0.000 1.241 43 P CA 0.817 63.523 63.100 -0.657 0.000 0.816 43 P CB 0.218 31.458 31.700 -0.767 0.000 1.150 44 F N -2.469 117.429 119.950 -0.086 0.000 2.704 44 F HA 0.232 4.759 4.527 -0.000 0.000 0.304 44 F C 1.272 177.318 175.800 0.411 0.000 1.094 44 F CA -0.519 57.612 58.000 0.218 0.000 1.275 44 F CB -0.486 38.607 39.000 0.155 0.000 1.073 44 F HN -0.264 nan 8.300 nan 0.000 0.586 45 Y N -1.124 119.361 120.300 0.308 0.000 2.728 45 Y HA -0.402 4.148 4.550 -0.000 0.000 0.481 45 Y C 1.537 177.585 175.900 0.246 0.000 1.108 45 Y CA 0.289 58.535 58.100 0.244 0.000 2.921 45 Y CB -1.900 36.718 38.460 0.264 0.000 1.016 45 Y HN -0.008 nan 8.280 nan 0.000 0.580 46 A N 1.864 124.960 122.820 0.459 0.000 2.425 46 A HA 0.696 5.016 4.320 -0.000 0.000 0.249 46 A C 0.445 178.148 177.584 0.199 0.000 1.084 46 A CA 0.548 52.763 52.037 0.296 0.000 0.781 46 A CB 0.238 19.424 19.000 0.309 0.000 1.019 46 A HN 1.236 nan 8.150 nan 0.000 0.490 47 A N 1.298 124.198 122.820 0.134 0.000 2.533 47 A HA 0.648 4.968 4.320 -0.000 0.000 0.293 47 A C -0.424 177.185 177.584 0.042 0.000 1.228 47 A CA -0.833 51.252 52.037 0.081 0.000 0.689 47 A CB 0.076 19.127 19.000 0.085 0.000 1.303 47 A HN 1.798 nan 8.150 nan 0.000 0.444 48 L N 0.922 122.141 121.223 -0.007 0.000 2.987 48 L HA 0.214 4.554 4.340 -0.000 0.000 0.308 48 L C 1.389 178.238 176.870 -0.036 0.000 1.140 48 L CA 2.760 57.546 54.840 -0.090 0.000 0.889 48 L CB -0.749 41.184 42.059 -0.210 0.000 1.285 48 L HN 2.142 nan 8.230 nan 0.000 0.500 49 G N 1.627 110.332 108.800 -0.159 0.000 2.232 49 G HA2 0.154 4.114 3.960 -0.000 0.000 0.226 49 G HA3 0.154 4.114 3.960 -0.000 0.000 0.226 49 G C 1.375 176.275 174.900 -0.000 0.000 0.996 49 G CA 0.368 45.401 45.100 -0.113 0.000 0.626 49 G HN 2.257 nan 8.290 nan 0.000 0.509 50 G N -1.555 107.260 108.800 0.024 0.000 2.587 50 G HA2 0.122 4.082 3.960 -0.000 0.000 0.212 50 G HA3 0.122 4.082 3.960 -0.000 0.000 0.212 50 G C 0.684 175.632 174.900 0.081 0.000 1.327 50 G CA 0.827 45.958 45.100 0.052 0.000 0.898 50 G HN 1.182 nan 8.290 nan 0.000 0.551 51 T N -0.347 114.261 114.554 0.089 0.000 2.851 51 T HA -0.083 4.267 4.350 -0.000 0.000 0.262 51 T C 2.497 177.225 174.700 0.047 0.000 1.043 51 T CA 2.431 64.588 62.100 0.095 0.000 1.140 51 T CB -0.619 68.320 68.868 0.119 0.000 0.872 51 T HN 1.119 nan 8.240 nan 0.000 0.446 52 C N 1.334 120.660 119.300 0.043 0.000 2.328 52 C HA -0.146 4.314 4.460 -0.000 0.000 0.276 52 C C 2.692 177.674 174.990 -0.014 0.000 1.173 52 C CA 1.216 60.247 59.018 0.021 0.000 1.774 52 C CB -1.220 26.539 27.740 0.031 0.000 2.009 52 C HN 0.376 nan 8.230 nan 0.000 0.436 53 V N 1.566 121.488 119.914 0.013 0.000 2.427 53 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 53 V C 2.352 178.415 176.094 -0.051 0.000 1.051 53 V CA 2.389 64.693 62.300 0.006 0.000 1.048 53 V CB -0.711 31.176 31.823 0.106 0.000 0.666 53 V HN 0.598 nan 8.190 nan 0.000 0.456 54 N N 0.055 118.738 118.700 -0.029 0.000 2.368 54 N HA 0.021 4.761 4.740 -0.000 0.000 0.178 54 N C 0.793 176.180 175.510 -0.205 0.000 1.021 54 N CA 1.596 54.630 53.050 -0.027 0.000 0.875 54 N CB 1.057 39.612 38.487 0.114 0.000 1.020 54 N HN 0.509 nan 8.380 nan 0.000 0.433 55 V N -2.705 117.059 119.914 -0.251 0.000 2.965 55 V HA 0.743 4.863 4.120 -0.000 0.000 0.403 55 V C 0.150 176.102 176.094 -0.238 0.000 1.393 55 V CA -0.440 61.548 62.300 -0.521 0.000 1.554 55 V CB 0.607 32.434 31.823 0.006 0.000 1.360 55 V HN 0.215 nan 8.190 nan 0.000 0.657 56 G N -0.504 108.166 108.800 -0.216 0.000 2.562 56 G HA2 0.278 4.238 3.960 -0.000 0.000 0.190 56 G HA3 0.278 4.238 3.960 -0.000 0.000 0.190 56 G C 0.665 175.591 174.900 0.043 0.000 1.196 56 G CA 0.604 45.751 45.100 0.077 0.000 0.986 56 G HN 0.331 nan 8.290 nan 0.000 0.512 57 C N -0.179 119.140 119.300 0.032 0.000 2.304 57 C HA -0.155 4.305 4.460 -0.000 0.000 0.269 57 C C 2.828 177.767 174.990 -0.084 0.000 1.136 57 C CA 1.355 60.366 59.018 -0.011 0.000 1.796 57 C CB -1.643 26.096 27.740 -0.001 0.000 2.017 57 C HN 0.376 nan 8.230 nan 0.000 0.431 58 V N 2.495 122.351 119.914 -0.096 0.000 2.270 58 V HA -0.121 3.999 4.120 -0.000 0.000 0.245 58 V C 0.103 176.107 176.094 -0.150 0.000 1.043 58 V CA 2.697 64.920 62.300 -0.129 0.000 1.014 58 V CB -1.758 29.996 31.823 -0.116 0.000 0.645 58 V HN 0.452 nan 8.190 nan 0.000 0.447 59 P HA -0.103 nan 4.420 nan 0.000 0.227 59 P C 1.310 178.623 177.300 0.022 0.000 1.161 59 P CA 1.191 64.195 63.100 -0.159 0.000 0.788 59 P CB -0.014 31.453 31.700 -0.389 0.000 0.822 60 K N 1.033 121.493 120.400 0.099 0.000 2.217 60 K HA -0.122 4.198 4.320 -0.000 0.000 0.202 60 K C 2.032 178.539 176.600 -0.155 0.000 1.051 60 K CA 1.556 57.863 56.287 0.034 0.000 0.952 60 K CB -0.729 31.802 32.500 0.051 0.000 0.736 60 K HN -0.141 nan 8.250 nan 0.000 0.453 61 K N 0.923 121.205 120.400 -0.196 0.000 2.116 61 K HA 0.134 4.454 4.320 -0.000 0.000 0.203 61 K C 1.822 178.300 176.600 -0.202 0.000 1.052 61 K CA 1.077 57.182 56.287 -0.304 0.000 0.952 61 K CB -0.237 32.009 32.500 -0.423 0.000 0.729 61 K HN 0.268 nan 8.250 nan 0.000 0.446 62 L N -0.063 121.067 121.223 -0.155 0.000 2.056 62 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 62 L C 2.467 179.281 176.870 -0.094 0.000 1.078 62 L CA 1.398 56.171 54.840 -0.111 0.000 0.749 62 L CB -0.357 41.632 42.059 -0.116 0.000 0.901 62 L HN 0.236 nan 8.230 nan 0.000 0.433 63 M N -1.039 118.479 119.600 -0.136 0.000 2.117 63 M HA -0.181 4.299 4.480 -0.000 0.000 0.262 63 M C 2.229 178.470 176.300 -0.100 0.000 1.065 63 M CA 1.371 56.572 55.300 -0.166 0.000 1.114 63 M CB -0.306 32.131 32.600 -0.272 0.000 1.361 63 M HN 0.027 nan 8.290 nan 0.000 0.408 64 V N -0.287 119.545 119.914 -0.136 0.000 2.515 64 V HA -0.217 3.903 4.120 -0.000 0.000 0.250 64 V C 2.226 178.293 176.094 -0.045 0.000 1.058 64 V CA 1.978 64.226 62.300 -0.088 0.000 1.064 64 V CB -0.895 30.876 31.823 -0.087 0.000 0.675 64 V HN 0.510 nan 8.190 nan 0.000 0.461 65 T N 0.214 114.735 114.554 -0.055 0.000 2.770 65 T HA -0.067 4.283 4.350 -0.000 0.000 0.263 65 T C 1.977 176.668 174.700 -0.014 0.000 1.039 65 T CA 1.427 63.488 62.100 -0.064 0.000 1.142 65 T CB -0.605 68.235 68.868 -0.047 0.000 0.868 65 T HN 0.599 nan 8.240 nan 0.000 0.435 66 G N 1.505 110.412 108.800 0.178 0.000 2.529 66 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 66 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 66 G C 1.827 176.956 174.900 0.382 0.000 1.177 66 G CA 1.078 46.438 45.100 0.434 0.000 0.773 66 G HN 0.588 nan 8.290 nan 0.000 0.573 67 A N -0.040 122.967 122.820 0.312 0.000 2.076 67 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 67 A C 2.303 179.888 177.584 0.002 0.000 1.160 67 A CA 1.928 54.081 52.037 0.193 0.000 0.653 67 A CB -0.342 18.764 19.000 0.178 0.000 0.801 67 A HN 0.521 nan 8.150 nan 0.000 0.455 68 Q N -1.839 117.891 119.800 -0.115 0.000 2.297 68 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 68 Q C 1.482 177.265 176.000 -0.363 0.000 0.962 68 Q CA 1.102 56.730 55.803 -0.292 0.000 0.879 68 Q CB -0.229 28.291 28.738 -0.362 0.000 0.947 68 Q HN 0.853 nan 8.270 nan 0.000 0.462 69 Y N 0.312 120.617 120.300 0.009 0.000 2.315 69 Y HA -0.264 4.286 4.550 -0.000 0.000 0.288 69 Y C 2.209 178.105 175.900 -0.006 0.000 1.154 69 Y CA 1.135 59.271 58.100 0.059 0.000 1.229 69 Y CB -0.396 38.082 38.460 0.030 0.000 0.980 69 Y HN 0.182 nan 8.280 nan 0.000 0.540 70 M N 0.041 119.673 119.600 0.053 0.000 2.073 70 M HA -0.287 4.193 4.480 -0.000 0.000 0.258 70 M C 1.393 177.721 176.300 0.046 0.000 1.070 70 M CA 2.228 57.544 55.300 0.026 0.000 1.103 70 M CB -0.154 32.437 32.600 -0.016 0.000 1.321 70 M HN 0.130 nan 8.290 nan 0.000 0.405 71 D N -0.681 119.704 120.400 -0.025 0.000 2.097 71 D HA -0.179 4.461 4.640 -0.000 0.000 0.195 71 D C 1.951 178.270 176.300 0.032 0.000 0.989 71 D CA 1.302 55.282 54.000 -0.033 0.000 0.827 71 D CB -0.531 40.179 40.800 -0.149 0.000 0.966 71 D HN 0.455 nan 8.370 nan 0.000 0.456 72 H N 0.246 119.348 119.070 0.054 0.000 2.293 72 H HA -0.025 4.531 4.556 -0.000 0.000 0.300 72 H C 2.445 177.829 175.328 0.093 0.000 1.082 72 H CA 0.729 56.807 56.048 0.050 0.000 1.308 72 H CB -0.690 29.083 29.762 0.017 0.000 1.375 72 H HN 0.155 nan 8.280 nan 0.000 0.495 73 L N 0.248 121.617 121.223 0.243 0.000 2.013 73 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 73 L C 2.853 179.952 176.870 0.382 0.000 1.073 73 L CA 1.775 56.760 54.840 0.242 0.000 0.753 73 L CB -0.402 41.773 42.059 0.194 0.000 0.890 73 L HN 0.190 nan 8.230 nan 0.000 0.432 74 R N 0.524 121.189 120.500 0.274 0.000 2.075 74 R HA -0.165 4.175 4.340 -0.000 0.000 0.232 74 R C 2.025 178.466 176.300 0.236 0.000 1.126 74 R CA 1.661 57.898 56.100 0.228 0.000 0.963 74 R CB -0.100 30.292 30.300 0.154 0.000 0.858 74 R HN 0.427 nan 8.270 nan 0.000 0.435 75 E N 0.320 120.668 120.200 0.246 0.000 2.285 75 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 75 E C 1.907 178.744 176.600 0.394 0.000 0.997 75 E CA 0.998 57.570 56.400 0.287 0.000 0.845 75 E CB 0.131 30.007 29.700 0.293 0.000 0.782 75 E HN 0.476 nan 8.360 nan 0.000 0.491 76 S N 1.492 117.409 115.700 0.362 0.000 2.400 76 S HA -0.205 4.265 4.470 -0.000 0.000 0.232 76 S C 2.285 177.222 174.600 0.561 0.000 1.025 76 S CA 0.935 59.392 58.200 0.428 0.000 0.993 76 S CB -0.297 63.042 63.200 0.231 0.000 0.808 76 S HN 0.292 nan 8.310 nan 0.000 0.478 77 A N 2.076 125.142 122.820 0.410 0.000 1.927 77 A HA 0.058 4.378 4.320 -0.000 0.000 0.220 77 A C 2.473 180.173 177.584 0.194 0.000 1.185 77 A CA 1.861 54.059 52.037 0.269 0.000 0.639 77 A CB -1.943 17.135 19.000 0.130 0.000 0.820 77 A HN 0.767 nan 8.150 nan 0.000 0.451 78 G N -2.097 106.801 108.800 0.162 0.000 2.479 78 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.220 78 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.220 78 G C 1.045 175.827 174.900 -0.195 0.000 1.115 78 G CA 1.041 46.101 45.100 -0.067 0.000 0.757 78 G HN 0.506 nan 8.290 nan 0.000 0.560 79 F N -0.349 119.696 119.950 0.158 0.000 2.678 79 F HA 0.400 4.927 4.527 -0.000 0.000 0.305 79 F C 1.798 177.642 175.800 0.073 0.000 1.090 79 F CA 0.388 58.479 58.000 0.151 0.000 1.272 79 F CB 1.074 40.214 39.000 0.234 0.000 1.060 79 F HN 0.221 nan 8.300 nan 0.000 0.576 80 G N -1.156 107.749 108.800 0.175 0.000 2.192 80 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.193 80 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.193 80 G C -0.359 174.476 174.900 -0.108 0.000 0.999 80 G CA -0.922 44.157 45.100 -0.036 0.000 0.659 80 G HN 0.164 nan 8.290 nan 0.000 0.503 81 W N 1.776 123.178 121.300 0.171 0.000 2.311 81 W HA 0.624 5.284 4.660 0.000 0.000 0.310 81 W C 0.542 177.190 176.519 0.214 0.000 1.274 81 W CA -0.217 57.251 57.345 0.206 0.000 1.215 81 W CB 0.633 30.242 29.460 0.248 0.000 1.227 81 W HN 0.116 nan 8.180 nan 0.000 0.523 82 E N 3.901 124.314 120.200 0.354 0.000 2.199 82 E HA 0.511 4.861 4.350 -0.000 0.000 0.265 82 E C -0.841 175.973 176.600 0.357 0.000 0.882 82 E CA -0.852 55.677 56.400 0.214 0.000 0.759 82 E CB 1.372 31.121 29.700 0.081 0.000 1.148 82 E HN 0.303 nan 8.360 nan 0.000 0.412 83 F N -1.011 119.013 119.950 0.123 0.000 2.754 83 F HA 0.440 4.967 4.527 -0.000 0.000 0.320 83 F C -0.777 175.065 175.800 0.069 0.000 1.156 83 F CA -1.570 56.489 58.000 0.099 0.000 0.950 83 F CB 0.685 39.752 39.000 0.110 0.000 1.388 83 F HN 0.104 nan 8.300 nan 0.000 0.485 84 D N 0.890 121.415 120.400 0.208 0.000 2.402 84 D HA 0.266 4.906 4.640 -0.000 0.000 0.235 84 D C 1.359 177.703 176.300 0.074 0.000 1.226 84 D CA 0.388 54.433 54.000 0.076 0.000 0.918 84 D CB 1.043 41.905 40.800 0.103 0.000 1.043 84 D HN 0.844 nan 8.370 nan 0.000 0.506 85 G N 2.514 111.224 108.800 -0.151 0.000 2.475 85 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.220 85 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.220 85 G C 1.507 176.422 174.900 0.025 0.000 1.125 85 G CA 1.132 46.160 45.100 -0.120 0.000 0.755 85 G HN 0.558 nan 8.290 nan 0.000 0.565 86 S N 1.117 116.829 115.700 0.020 0.000 2.428 86 S HA -0.110 4.360 4.470 -0.000 0.000 0.230 86 S C 2.415 177.049 174.600 0.057 0.000 1.014 86 S CA 1.619 59.838 58.200 0.033 0.000 0.957 86 S CB -0.508 62.704 63.200 0.021 0.000 0.784 86 S HN 0.564 nan 8.310 nan 0.000 0.499 87 S N 0.693 116.443 115.700 0.083 0.000 2.555 87 S HA 0.156 4.626 4.470 -0.000 0.000 0.230 87 S C 0.554 175.208 174.600 0.091 0.000 0.978 87 S CA -0.018 58.234 58.200 0.086 0.000 0.934 87 S CB -0.741 62.518 63.200 0.098 0.000 0.766 87 S HN 0.315 nan 8.310 nan 0.000 0.533 88 V N 2.995 122.977 119.914 0.115 0.000 2.446 88 V HA 0.276 4.396 4.120 -0.000 0.000 0.276 88 V C 0.245 176.378 176.094 0.066 0.000 1.030 88 V CA 0.214 62.581 62.300 0.111 0.000 1.033 88 V CB 0.425 32.354 31.823 0.178 0.000 0.993 88 V HN 0.395 nan 8.190 nan 0.000 0.477 89 K N 4.165 124.593 120.400 0.047 0.000 2.371 89 K HA 0.759 5.079 4.320 -0.000 0.000 0.251 89 K C -0.747 175.869 176.600 0.027 0.000 0.934 89 K CA -0.741 55.571 56.287 0.042 0.000 0.798 89 K CB 2.157 34.690 32.500 0.054 0.000 1.204 89 K HN 0.628 nan 8.250 nan 0.000 0.427 90 A N 3.794 126.630 122.820 0.027 0.000 2.341 90 A HA 0.217 4.537 4.320 -0.000 0.000 0.326 90 A C -0.513 177.204 177.584 0.222 0.000 1.402 90 A CA -0.640 51.396 52.037 -0.001 0.000 0.957 90 A CB -0.017 18.858 19.000 -0.209 0.000 1.151 90 A HN 0.664 nan 8.150 nan 0.000 0.533 91 N N 3.253 122.111 118.700 0.263 0.000 2.469 91 N HA -0.016 4.724 4.740 -0.000 0.000 0.239 91 N C 0.821 176.583 175.510 0.418 0.000 1.053 91 N CA -0.582 52.645 53.050 0.296 0.000 0.937 91 N CB 0.271 38.859 38.487 0.170 0.000 1.163 91 N HN 0.875 nan 8.380 nan 0.000 0.509 92 W N 5.107 126.552 121.300 0.243 0.000 2.363 92 W HA -0.126 4.533 4.660 -0.000 0.000 0.296 92 W C 0.641 177.172 176.519 0.021 0.000 1.212 92 W CA 0.994 58.389 57.345 0.084 0.000 1.260 92 W CB 0.307 29.823 29.460 0.093 0.000 1.131 92 W HN 0.512 nan 8.180 nan 0.000 0.530 93 K N 0.119 120.637 120.400 0.196 0.000 2.148 93 K HA -0.185 4.135 4.320 -0.000 0.000 0.204 93 K C 2.104 178.677 176.600 -0.046 0.000 1.050 93 K CA 0.992 57.302 56.287 0.038 0.000 0.942 93 K CB -0.272 32.304 32.500 0.126 0.000 0.724 93 K HN -0.168 nan 8.250 nan 0.000 0.446 94 K N 1.619 122.024 120.400 0.007 0.000 2.001 94 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 94 K C 2.102 178.656 176.600 -0.076 0.000 1.048 94 K CA 1.050 57.331 56.287 -0.010 0.000 0.932 94 K CB -0.584 31.938 32.500 0.038 0.000 0.715 94 K HN 0.054 nan 8.250 nan 0.000 0.437 95 L N 1.236 122.398 121.223 -0.100 0.000 1.997 95 L HA -0.214 4.126 4.340 -0.000 0.000 0.216 95 L C 2.165 178.831 176.870 -0.340 0.000 1.074 95 L CA 1.690 56.403 54.840 -0.213 0.000 0.763 95 L CB -0.568 41.281 42.059 -0.350 0.000 0.890 95 L HN 0.125 nan 8.230 nan 0.000 0.434 96 I N -0.093 120.177 120.570 -0.499 0.000 2.252 96 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 96 I C 2.708 178.665 176.117 -0.266 0.000 1.102 96 I CA 1.465 62.465 61.300 -0.500 0.000 1.385 96 I CB -1.896 35.714 38.000 -0.651 0.000 1.064 96 I HN 0.404 nan 8.210 nan 0.000 0.414 97 A N 0.782 123.498 122.820 -0.173 0.000 1.908 97 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 97 A C 2.532 180.060 177.584 -0.093 0.000 1.181 97 A CA 2.157 54.142 52.037 -0.087 0.000 0.627 97 A CB -0.749 18.226 19.000 -0.042 0.000 0.818 97 A HN 0.423 nan 8.150 nan 0.000 0.445 98 A N -0.380 122.373 122.820 -0.112 0.000 1.929 98 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 98 A C 2.145 179.652 177.584 -0.129 0.000 1.176 98 A CA 1.783 53.761 52.037 -0.099 0.000 0.628 98 A CB -0.391 18.558 19.000 -0.084 0.000 0.816 98 A HN 0.417 nan 8.150 nan 0.000 0.444 99 K N 0.467 120.759 120.400 -0.180 0.000 2.063 99 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 99 K C 1.344 177.799 176.600 -0.242 0.000 1.048 99 K CA 1.956 58.112 56.287 -0.217 0.000 0.928 99 K CB -0.460 31.880 32.500 -0.267 0.000 0.713 99 K HN 0.415 nan 8.250 nan 0.000 0.442 100 N N 1.326 119.896 118.700 -0.216 0.000 2.188 100 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 100 N C 1.729 177.210 175.510 -0.049 0.000 1.018 100 N CA 1.193 54.129 53.050 -0.189 0.000 0.858 100 N CB -0.260 38.240 38.487 0.023 0.000 0.989 100 N HN 0.350 nan 8.380 nan 0.000 0.426 101 E N 1.060 121.235 120.200 -0.041 0.000 2.047 101 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 101 E C 1.794 178.366 176.600 -0.046 0.000 0.987 101 E CA 1.289 57.677 56.400 -0.019 0.000 0.799 101 E CB -0.364 29.318 29.700 -0.029 0.000 0.752 101 E HN 0.278 nan 8.360 nan 0.000 0.449 102 A N 0.178 122.946 122.820 -0.086 0.000 1.865 102 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 102 A C 2.528 180.048 177.584 -0.107 0.000 1.191 102 A CA 1.855 53.832 52.037 -0.099 0.000 0.623 102 A CB -1.024 17.907 19.000 -0.115 0.000 0.826 102 A HN 0.194 nan 8.150 nan 0.000 0.444 103 V N -0.263 119.560 119.914 -0.152 0.000 2.231 103 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 103 V C 2.519 178.610 176.094 -0.004 0.000 1.054 103 V CA 2.195 64.405 62.300 -0.149 0.000 1.015 103 V CB -0.926 30.672 31.823 -0.374 0.000 0.638 103 V HN 0.584 nan 8.190 nan 0.000 0.444 104 L N 0.394 121.671 121.223 0.089 0.000 2.043 104 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 104 L C 2.132 179.016 176.870 0.023 0.000 1.075 104 L CA 2.178 57.099 54.840 0.135 0.000 0.752 104 L CB -0.898 41.245 42.059 0.140 0.000 0.891 104 L HN 0.350 nan 8.230 nan 0.000 0.432 105 D N -0.374 120.012 120.400 -0.024 0.000 2.133 105 D HA -0.226 4.414 4.640 -0.000 0.000 0.195 105 D C 2.290 178.518 176.300 -0.120 0.000 0.997 105 D CA 1.955 55.914 54.000 -0.067 0.000 0.840 105 D CB -0.198 40.553 40.800 -0.080 0.000 0.947 105 D HN 0.448 nan 8.370 nan 0.000 0.452 106 I N 0.844 121.331 120.570 -0.138 0.000 2.179 106 I HA -0.274 3.895 4.170 -0.000 0.000 0.242 106 I C 1.902 177.882 176.117 -0.229 0.000 1.088 106 I CA 1.019 62.168 61.300 -0.252 0.000 1.357 106 I CB -0.357 37.518 38.000 -0.208 0.000 1.051 106 I HN 0.006 nan 8.210 nan 0.000 0.409 107 N N 0.916 119.602 118.700 -0.023 0.000 2.036 107 N HA -0.232 4.508 4.740 -0.000 0.000 0.195 107 N C 1.786 177.306 175.510 0.017 0.000 1.037 107 N CA 1.366 54.458 53.050 0.071 0.000 0.855 107 N CB -0.137 38.396 38.487 0.077 0.000 1.033 107 N HN 0.303 nan 8.380 nan 0.000 0.423 108 K N 0.422 120.806 120.400 -0.027 0.000 2.097 108 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 108 K C 2.380 178.946 176.600 -0.056 0.000 1.049 108 K CA 1.506 57.772 56.287 -0.034 0.000 0.933 108 K CB -0.124 32.354 32.500 -0.036 0.000 0.717 108 K HN 0.273 nan 8.250 nan 0.000 0.442 109 S N -0.164 115.457 115.700 -0.131 0.000 2.428 109 S HA -0.115 4.355 4.470 -0.000 0.000 0.230 109 S C 1.858 176.379 174.600 -0.133 0.000 1.014 109 S CA 0.514 58.612 58.200 -0.169 0.000 0.957 109 S CB -0.354 62.693 63.200 -0.256 0.000 0.784 109 S HN 0.185 nan 8.310 nan 0.000 0.499 110 Y N 2.114 122.368 120.300 -0.077 0.000 2.133 110 Y HA 0.069 4.619 4.550 0.000 0.000 0.287 110 Y C 2.662 178.565 175.900 0.005 0.000 1.134 110 Y CA 0.754 58.812 58.100 -0.071 0.000 1.133 110 Y CB -1.099 37.328 38.460 -0.055 0.000 0.987 110 Y HN 0.352 nan 8.280 nan 0.000 0.502 111 E N -0.429 119.859 120.200 0.147 0.000 2.082 111 E HA -0.326 4.024 4.350 -0.000 0.000 0.215 111 E C 2.455 179.115 176.600 0.099 0.000 1.048 111 E CA 1.633 58.072 56.400 0.065 0.000 0.869 111 E CB -0.723 28.977 29.700 0.000 0.000 0.773 111 E HN 0.550 nan 8.360 nan 0.000 0.466 112 G N 1.343 110.172 108.800 0.049 0.000 2.599 112 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.219 112 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.219 112 G C 1.508 176.444 174.900 0.059 0.000 1.193 112 G CA 1.519 46.639 45.100 0.034 0.000 0.778 112 G HN 0.387 nan 8.290 nan 0.000 0.589 113 M N -0.907 118.719 119.600 0.042 0.000 2.108 113 M HA -0.012 4.468 4.480 -0.000 0.000 0.261 113 M C 2.271 178.599 176.300 0.047 0.000 1.066 113 M CA 1.679 56.987 55.300 0.013 0.000 1.107 113 M CB -0.224 32.326 32.600 -0.084 0.000 1.356 113 M HN 0.173 nan 8.290 nan 0.000 0.406 114 F N 1.164 121.164 119.950 0.082 0.000 2.407 114 F HA -0.070 4.457 4.527 -0.000 0.000 0.299 114 F C 1.878 177.714 175.800 0.060 0.000 1.097 114 F CA 0.987 59.036 58.000 0.083 0.000 1.422 114 F CB -0.539 38.494 39.000 0.055 0.000 1.067 114 F HN 0.335 nan 8.300 nan 0.000 0.539 115 N N -0.314 118.519 118.700 0.222 0.000 2.446 115 N HA -0.081 4.659 4.740 -0.000 0.000 0.179 115 N C 1.047 176.620 175.510 0.104 0.000 1.054 115 N CA 0.877 54.006 53.050 0.132 0.000 0.905 115 N CB -0.180 38.359 38.487 0.086 0.000 0.973 115 N HN 0.260 nan 8.380 nan 0.000 0.448 116 D N -0.326 120.138 120.400 0.107 0.000 2.323 116 D HA 0.045 4.685 4.640 -0.000 0.000 0.218 116 D C 0.128 176.480 176.300 0.085 0.000 0.973 116 D CA 0.720 54.769 54.000 0.082 0.000 0.890 116 D CB 0.014 40.858 40.800 0.074 0.000 1.011 116 D HN 0.001 nan 8.370 nan 0.000 0.499 117 T N 1.592 116.210 114.554 0.107 0.000 2.771 117 T HA 0.212 4.562 4.350 -0.000 0.000 0.291 117 T C 0.129 174.869 174.700 0.066 0.000 0.954 117 T CA -0.489 61.661 62.100 0.083 0.000 1.045 117 T CB 2.077 71.011 68.868 0.111 0.000 0.917 117 T HN -0.204 nan 8.240 nan 0.000 0.484 118 E N 1.940 122.155 120.200 0.024 0.000 2.351 118 E HA 0.371 4.720 4.350 -0.000 0.000 0.266 118 E C 1.219 177.834 176.600 0.024 0.000 1.031 118 E CA 0.745 57.160 56.400 0.024 0.000 0.911 118 E CB -0.307 29.392 29.700 -0.001 0.000 0.986 118 E HN 0.910 nan 8.360 nan 0.000 0.446 119 G N 3.742 112.588 108.800 0.077 0.000 2.147 119 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.244 119 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.244 119 G C -0.355 174.639 174.900 0.157 0.000 1.005 119 G CA 0.276 45.442 45.100 0.110 0.000 0.713 119 G HN 0.489 nan 8.290 nan 0.000 0.515 120 L N 1.233 122.572 121.223 0.193 0.000 2.454 120 L HA 0.634 4.974 4.340 -0.000 0.000 0.258 120 L C -1.246 175.890 176.870 0.443 0.000 1.025 120 L CA -1.003 54.005 54.840 0.281 0.000 0.901 120 L CB 1.338 43.502 42.059 0.175 0.000 1.210 120 L HN 0.051 nan 8.230 nan 0.000 0.457 121 D N 3.313 123.945 120.400 0.385 0.000 2.185 121 D HA 0.333 4.973 4.640 -0.000 0.000 0.247 121 D C -0.975 175.268 176.300 -0.095 0.000 1.027 121 D CA 0.121 54.232 54.000 0.185 0.000 0.861 121 D CB 1.863 42.768 40.800 0.175 0.000 1.202 121 D HN 0.237 nan 8.370 nan 0.000 0.453 122 F N 2.023 121.567 119.950 -0.677 0.000 2.421 122 F HA 0.543 5.070 4.527 0.000 0.000 0.337 122 F C -1.310 173.947 175.800 -0.904 0.000 1.105 122 F CA -0.860 56.552 58.000 -0.979 0.000 1.049 122 F CB 0.523 38.716 39.000 -1.345 0.000 1.139 122 F HN 0.112 nan 8.300 nan 0.000 0.479 123 F N 6.614 125.770 119.950 -1.323 0.000 2.493 123 F HA 0.443 4.970 4.527 0.000 0.000 0.329 123 F C -0.873 174.126 175.800 -1.336 0.000 1.126 123 F CA -1.010 56.388 58.000 -1.003 0.000 0.937 123 F CB 1.718 40.391 39.000 -0.545 0.000 1.146 123 F HN 0.312 nan 8.300 nan 0.000 0.442 124 L N 3.859 124.681 121.223 -0.668 0.000 2.261 124 L HA 0.845 5.185 4.340 -0.000 0.000 0.289 124 L C 0.032 176.794 176.870 -0.180 0.000 1.059 124 L CA 0.551 55.179 54.840 -0.355 0.000 0.816 124 L CB 0.006 42.038 42.059 -0.045 0.000 1.191 124 L HN 0.762 nan 8.230 nan 0.000 0.431 125 G N 3.137 111.802 108.800 -0.226 0.000 2.351 125 G HA2 0.039 3.999 3.960 -0.000 0.000 0.279 125 G HA3 0.039 3.999 3.960 -0.000 0.000 0.279 125 G C -2.184 172.529 174.900 -0.313 0.000 1.297 125 G CA -0.799 44.212 45.100 -0.149 0.000 0.886 125 G HN 0.382 nan 8.290 nan 0.000 0.493 126 W N 1.293 122.507 121.300 -0.144 0.000 2.294 126 W HA 0.596 5.256 4.660 0.000 0.000 0.314 126 W C 0.671 177.112 176.519 -0.129 0.000 1.044 126 W CA 0.089 57.339 57.345 -0.159 0.000 1.284 126 W CB 1.767 31.121 29.460 -0.178 0.000 1.231 126 W HN 0.843 nan 8.180 nan 0.000 0.419 127 G N 2.198 111.018 108.800 0.033 0.000 2.390 127 G HA2 0.523 4.483 3.960 -0.000 0.000 0.270 127 G HA3 0.523 4.483 3.960 -0.000 0.000 0.270 127 G C -0.317 174.603 174.900 0.033 0.000 1.211 127 G CA -0.304 44.793 45.100 -0.005 0.000 0.842 127 G HN 0.417 nan 8.290 nan 0.000 0.519 128 S N 0.527 116.232 115.700 0.008 0.000 2.685 128 S HA 0.631 5.101 4.470 -0.000 0.000 0.282 128 S C -1.201 173.391 174.600 -0.013 0.000 1.159 128 S CA -0.951 57.251 58.200 0.004 0.000 0.833 128 S CB 1.663 64.864 63.200 0.002 0.000 1.151 128 S HN 0.335 nan 8.310 nan 0.000 0.485 129 L N 1.880 123.094 121.223 -0.014 0.000 2.261 129 L HA 0.507 4.847 4.340 -0.000 0.000 0.289 129 L C 1.338 178.195 176.870 -0.022 0.000 1.059 129 L CA 0.120 54.948 54.840 -0.020 0.000 0.816 129 L CB 0.612 42.659 42.059 -0.019 0.000 1.191 129 L HN 1.045 nan 8.230 nan 0.000 0.431 130 E N 1.800 121.986 120.200 -0.024 0.000 2.060 130 E HA 0.029 4.379 4.350 -0.000 0.000 0.189 130 E C 0.281 176.867 176.600 -0.023 0.000 0.974 130 E CA 0.817 57.203 56.400 -0.023 0.000 0.808 130 E CB 0.498 30.183 29.700 -0.023 0.000 0.768 130 E HN 0.694 nan 8.360 nan 0.000 0.453 131 S N -1.947 113.738 115.700 -0.025 0.000 2.672 131 S HA 0.243 4.713 4.470 -0.000 0.000 0.271 131 S C 0.369 174.950 174.600 -0.032 0.000 1.171 131 S CA -0.558 57.626 58.200 -0.027 0.000 0.817 131 S CB 1.069 64.254 63.200 -0.025 0.000 1.150 131 S HN 0.088 nan 8.310 nan 0.000 0.478 132 K N 0.613 120.990 120.400 -0.038 0.000 2.144 132 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 132 K C 0.355 176.926 176.600 -0.050 0.000 1.047 132 K CA 2.489 58.746 56.287 -0.050 0.000 0.927 132 K CB -0.446 32.023 32.500 -0.052 0.000 0.716 132 K HN 0.667 nan 8.250 nan 0.000 0.454 133 N N -1.054 117.624 118.700 -0.037 0.000 2.299 133 N HA 0.142 4.882 4.740 -0.000 0.000 0.246 133 N C -1.815 173.689 175.510 -0.010 0.000 1.254 133 N CA -0.296 52.739 53.050 -0.026 0.000 0.879 133 N CB 1.988 40.456 38.487 -0.031 0.000 1.214 133 N HN -0.163 nan 8.380 nan 0.000 0.510 134 V N 1.285 121.190 119.914 -0.016 0.000 2.482 134 V HA 0.379 4.499 4.120 -0.000 0.000 0.295 134 V C -0.381 175.698 176.094 -0.024 0.000 1.026 134 V CA -0.838 61.453 62.300 -0.016 0.000 0.856 134 V CB 1.994 33.805 31.823 -0.019 0.000 1.001 134 V HN -0.165 nan 8.190 nan 0.000 0.424 135 V N 5.971 125.865 119.914 -0.033 0.000 2.439 135 V HA 0.419 4.539 4.120 -0.000 0.000 0.282 135 V C 0.097 176.149 176.094 -0.069 0.000 1.039 135 V CA -0.460 61.809 62.300 -0.052 0.000 0.913 135 V CB 1.843 33.623 31.823 -0.072 0.000 0.983 135 V HN 0.602 nan 8.190 nan 0.000 0.460 136 V N 5.723 125.605 119.914 -0.053 0.000 2.481 136 V HA 0.403 4.522 4.120 -0.000 0.000 0.286 136 V C -0.054 176.009 176.094 -0.052 0.000 1.042 136 V CA -0.511 61.758 62.300 -0.051 0.000 0.928 136 V CB 1.806 33.611 31.823 -0.030 0.000 0.986 136 V HN 0.601 nan 8.190 nan 0.000 0.462 137 V N 6.215 126.090 119.914 -0.064 0.000 2.334 137 V HA 0.512 4.632 4.120 -0.000 0.000 0.281 137 V C 0.219 176.317 176.094 0.007 0.000 1.016 137 V CA -0.631 61.643 62.300 -0.043 0.000 0.832 137 V CB 1.100 32.859 31.823 -0.107 0.000 0.999 137 V HN 0.835 nan 8.190 nan 0.000 0.439 138 R N 2.399 122.933 120.500 0.057 0.000 2.797 138 R HA 0.494 4.834 4.340 -0.000 0.000 0.251 138 R C 0.684 177.064 176.300 0.133 0.000 1.107 138 R CA -0.786 55.352 56.100 0.063 0.000 1.084 138 R CB 1.746 32.060 30.300 0.023 0.000 1.205 138 R HN 0.656 nan 8.270 nan 0.000 0.515 139 E N 0.123 120.382 120.200 0.099 0.000 2.216 139 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 139 E C 0.443 177.157 176.600 0.190 0.000 0.988 139 E CA 1.101 57.588 56.400 0.145 0.000 0.834 139 E CB 0.379 30.131 29.700 0.087 0.000 0.772 139 E HN 0.620 nan 8.360 nan 0.000 0.479 140 T N -4.588 109.942 114.554 -0.038 0.000 2.754 140 T HA 0.546 4.896 4.350 -0.000 0.000 0.296 140 T C 0.786 174.916 174.700 -0.951 0.000 1.205 140 T CA -0.300 61.477 62.100 -0.539 0.000 1.009 140 T CB 1.430 70.094 68.868 -0.340 0.000 1.368 140 T HN -0.136 nan 8.240 nan 0.000 0.509 141 A N 0.113 121.978 122.820 -1.592 0.000 2.019 141 A HA 0.084 4.404 4.320 -0.000 0.000 0.219 141 A C 1.104 178.370 177.584 -0.529 0.000 1.164 141 A CA 1.150 52.474 52.037 -1.190 0.000 0.644 141 A CB -1.052 17.139 19.000 -1.347 0.000 0.805 141 A HN 0.878 nan 8.150 nan 0.000 0.449 142 D N 0.315 120.467 120.400 -0.413 0.000 2.472 142 D HA 0.034 4.674 4.640 -0.000 0.000 0.248 142 D C -1.543 174.650 176.300 -0.177 0.000 1.174 142 D CA -1.345 52.515 54.000 -0.232 0.000 0.883 142 D CB 1.015 41.712 40.800 -0.171 0.000 1.149 142 D HN 0.167 nan 8.370 nan 0.000 0.488 143 P HA -0.043 nan 4.420 nan 0.000 0.242 143 P C 0.360 177.620 177.300 -0.066 0.000 1.197 143 P CA 0.671 63.718 63.100 -0.088 0.000 0.765 143 P CB 0.290 31.947 31.700 -0.072 0.000 0.936 144 K N -0.172 120.186 120.400 -0.070 0.000 2.373 144 K HA 0.125 4.445 4.320 -0.000 0.000 0.202 144 K C 0.882 177.455 176.600 -0.046 0.000 1.025 144 K CA -0.115 56.142 56.287 -0.051 0.000 1.115 144 K CB 0.368 32.841 32.500 -0.045 0.000 0.858 144 K HN 0.166 nan 8.250 nan 0.000 0.525 145 S N 0.468 116.133 115.700 -0.059 0.000 2.608 145 S HA 0.419 4.889 4.470 -0.000 0.000 0.261 145 S C 0.516 175.104 174.600 -0.021 0.000 1.314 145 S CA -0.988 57.185 58.200 -0.044 0.000 0.992 145 S CB 1.082 64.244 63.200 -0.064 0.000 0.935 145 S HN 0.178 nan 8.310 nan 0.000 0.564 146 A N 0.619 123.437 122.820 -0.004 0.000 2.425 146 A HA 0.485 4.805 4.320 -0.000 0.000 0.242 146 A C 0.022 177.614 177.584 0.012 0.000 1.077 146 A CA -0.643 51.398 52.037 0.007 0.000 0.781 146 A CB -0.196 18.814 19.000 0.017 0.000 1.020 146 A HN 0.821 nan 8.150 nan 0.000 0.494 147 V N 3.209 123.129 119.914 0.011 0.000 2.461 147 V HA 0.127 4.247 4.120 -0.000 0.000 0.275 147 V C 0.951 177.058 176.094 0.022 0.000 1.047 147 V CA -0.037 62.270 62.300 0.011 0.000 0.955 147 V CB 1.000 32.825 31.823 0.003 0.000 0.988 147 V HN 1.045 nan 8.190 nan 0.000 0.471 148 K N 2.670 123.084 120.400 0.023 0.000 2.202 148 K HA 0.255 4.575 4.320 -0.000 0.000 0.201 148 K C 0.124 176.738 176.600 0.023 0.000 1.051 148 K CA 0.442 56.749 56.287 0.034 0.000 0.977 148 K CB 0.470 32.993 32.500 0.039 0.000 0.792 148 K HN 0.600 nan 8.250 nan 0.000 0.469 149 E N 0.517 120.706 120.200 -0.018 0.000 2.392 149 E HA 0.308 4.658 4.350 -0.000 0.000 0.279 149 E C -1.153 175.397 176.600 -0.082 0.000 0.964 149 E CA -0.524 55.839 56.400 -0.061 0.000 0.777 149 E CB 2.329 31.928 29.700 -0.168 0.000 1.249 149 E HN -0.004 nan 8.360 nan 0.000 0.449 150 R N 1.271 121.728 120.500 -0.073 0.000 2.387 150 R HA 0.554 4.894 4.340 -0.000 0.000 0.314 150 R C -0.482 175.769 176.300 -0.081 0.000 0.958 150 R CA -0.575 55.483 56.100 -0.070 0.000 0.846 150 R CB 1.186 31.465 30.300 -0.034 0.000 1.147 150 R HN 0.280 nan 8.270 nan 0.000 0.447 151 L N 3.974 125.141 121.223 -0.092 0.000 2.298 151 L HA 0.361 4.701 4.340 -0.000 0.000 0.284 151 L C -0.188 176.716 176.870 0.057 0.000 1.013 151 L CA -0.759 54.067 54.840 -0.024 0.000 0.824 151 L CB 1.729 43.671 42.059 -0.194 0.000 1.221 151 L HN 0.442 nan 8.230 nan 0.000 0.418 152 Q N 2.672 122.533 119.800 0.103 0.000 2.304 152 Q HA 0.620 4.960 4.340 -0.000 0.000 0.260 152 Q C -0.300 175.786 176.000 0.143 0.000 0.965 152 Q CA -0.224 55.622 55.803 0.072 0.000 0.898 152 Q CB 1.764 30.514 28.738 0.021 0.000 1.196 152 Q HN 0.714 nan 8.270 nan 0.000 0.402 153 A N 2.523 125.400 122.820 0.095 0.000 2.374 153 A HA 0.365 4.685 4.320 -0.000 0.000 0.305 153 A C -0.706 176.912 177.584 0.057 0.000 1.053 153 A CA -0.732 51.379 52.037 0.125 0.000 0.726 153 A CB 1.241 20.308 19.000 0.112 0.000 1.229 153 A HN 0.732 nan 8.150 nan 0.000 0.431 154 D N 0.335 120.777 120.400 0.070 0.000 2.162 154 D HA 0.062 4.702 4.640 -0.000 0.000 0.203 154 D C 0.041 176.134 176.300 -0.345 0.000 0.967 154 D CA 1.607 55.532 54.000 -0.125 0.000 0.840 154 D CB 0.107 40.851 40.800 -0.093 0.000 0.972 154 D HN 0.638 nan 8.370 nan 0.000 0.482 155 H N -0.578 118.603 119.070 0.186 0.000 2.667 155 H HA 0.433 4.989 4.556 -0.000 0.000 0.353 155 H C -0.533 174.919 175.328 0.207 0.000 1.072 155 H CA -0.601 55.580 56.048 0.222 0.000 1.214 155 H CB 1.731 31.727 29.762 0.390 0.000 1.600 155 H HN -0.110 nan 8.280 nan 0.000 0.527 156 I N 3.585 124.280 120.570 0.209 0.000 2.404 156 I HA 0.127 4.297 4.170 -0.000 0.000 0.293 156 I C -0.542 175.707 176.117 0.220 0.000 0.992 156 I CA -0.832 60.558 61.300 0.151 0.000 1.149 156 I CB 1.973 39.997 38.000 0.039 0.000 1.315 156 I HN 0.206 nan 8.210 nan 0.000 0.446 157 L N 7.855 129.216 121.223 0.231 0.000 2.296 157 L HA 0.546 4.886 4.340 -0.000 0.000 0.286 157 L C -1.133 175.818 176.870 0.136 0.000 1.023 157 L CA -0.157 54.824 54.840 0.235 0.000 0.812 157 L CB 1.205 43.401 42.059 0.227 0.000 1.223 157 L HN 0.434 nan 8.230 nan 0.000 0.421 158 L N 6.309 127.605 121.223 0.121 0.000 2.257 158 L HA 0.709 5.049 4.340 -0.000 0.000 0.290 158 L C 0.275 177.196 176.870 0.086 0.000 1.044 158 L CA -0.217 54.672 54.840 0.081 0.000 0.810 158 L CB 1.305 43.402 42.059 0.065 0.000 1.193 158 L HN 0.857 nan 8.230 nan 0.000 0.425 159 A N 1.041 123.904 122.820 0.072 0.000 3.292 159 A HA 0.256 4.576 4.320 -0.000 0.000 0.231 159 A C 0.779 178.398 177.584 0.058 0.000 0.952 159 A CA -0.167 51.913 52.037 0.072 0.000 1.044 159 A CB -0.050 18.997 19.000 0.079 0.000 1.236 159 A HN 0.700 nan 8.150 nan 0.000 0.525 160 T N -2.932 111.655 114.554 0.055 0.000 3.129 160 T HA 0.438 4.788 4.350 -0.000 0.000 0.251 160 T C 1.383 176.133 174.700 0.082 0.000 1.117 160 T CA 1.146 63.274 62.100 0.047 0.000 1.034 160 T CB -0.239 68.650 68.868 0.034 0.000 0.968 160 T HN 2.080 nan 8.240 nan 0.000 0.526 161 G N 1.856 110.711 108.800 0.092 0.000 2.564 161 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.273 161 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.273 161 G C 0.066 175.056 174.900 0.150 0.000 1.242 161 G CA 0.273 45.444 45.100 0.117 0.000 0.951 161 G HN 1.505 nan 8.290 nan 0.000 0.564 162 S N -1.765 114.052 115.700 0.195 0.000 2.841 162 S HA 0.831 5.301 4.470 -0.000 0.000 0.318 162 S C -0.813 174.039 174.600 0.419 0.000 1.127 162 S CA 0.075 58.421 58.200 0.243 0.000 0.883 162 S CB 2.613 65.914 63.200 0.167 0.000 1.271 162 S HN 1.636 nan 8.310 nan 0.000 0.567 163 W N 0.632 121.980 121.300 0.080 0.000 3.363 163 W HA 0.398 5.057 4.660 -0.000 0.000 0.306 163 W C -3.423 173.139 176.519 0.073 0.000 1.253 163 W CA -2.057 55.340 57.345 0.087 0.000 1.195 163 W CB 1.861 31.378 29.460 0.095 0.000 1.366 163 W HN 0.478 nan 8.180 nan 0.000 0.551 164 P HA 0.018 nan 4.420 nan 0.000 0.271 164 P C -0.823 176.456 177.300 -0.036 0.000 1.216 164 P CA 0.360 63.331 63.100 -0.216 0.000 0.771 164 P CB 0.711 32.196 31.700 -0.359 0.000 0.864 165 Q N 2.790 122.606 119.800 0.026 0.000 2.286 165 Q HA 0.320 4.660 4.340 -0.000 0.000 0.257 165 Q C -0.914 175.106 176.000 0.033 0.000 0.941 165 Q CA -0.163 55.678 55.803 0.062 0.000 0.912 165 Q CB 0.370 29.149 28.738 0.068 0.000 1.192 165 Q HN 0.330 nan 8.270 nan 0.000 0.410 166 M N 5.984 125.613 119.600 0.047 0.000 2.181 166 M HA 0.421 4.900 4.480 -0.000 0.000 0.323 166 M C -2.262 174.056 176.300 0.030 0.000 1.004 166 M CA -2.362 52.955 55.300 0.028 0.000 0.941 166 M CB 1.084 33.702 32.600 0.030 0.000 1.579 166 M HN 0.552 nan 8.290 nan 0.000 0.427 167 P HA 0.336 nan 4.420 nan 0.000 0.274 167 P C -0.852 176.455 177.300 0.011 0.000 1.231 167 P CA -0.454 62.657 63.100 0.019 0.000 0.790 167 P CB 0.721 32.429 31.700 0.013 0.000 0.951 168 A N 3.978 126.805 122.820 0.012 0.000 2.798 168 A HA 0.513 4.833 4.320 -0.000 0.000 0.316 168 A C 0.607 178.191 177.584 -0.000 0.000 1.506 168 A CA -0.623 51.419 52.037 0.007 0.000 1.162 168 A CB -1.216 17.791 19.000 0.012 0.000 1.138 168 A HN 0.567 nan 8.150 nan 0.000 0.532 169 I N -1.259 119.306 120.570 -0.009 0.000 2.846 169 I HA 0.662 4.832 4.170 -0.000 0.000 0.307 169 I C -2.840 173.268 176.117 -0.015 0.000 1.053 169 I CA -3.266 58.026 61.300 -0.014 0.000 1.050 169 I CB 1.890 39.875 38.000 -0.025 0.000 1.239 169 I HN 0.089 nan 8.210 nan 0.000 0.439 170 P HA 0.135 nan 4.420 nan 0.000 0.261 170 P C 0.628 177.934 177.300 0.010 0.000 1.183 170 P CA 0.950 64.051 63.100 0.001 0.000 0.761 170 P CB 0.408 32.114 31.700 0.010 0.000 0.785 171 G N 3.253 112.049 108.800 -0.006 0.000 2.160 171 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.244 171 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.244 171 G C 0.716 175.572 174.900 -0.074 0.000 1.022 171 G CA 0.118 45.216 45.100 -0.004 0.000 0.741 171 G HN 0.574 nan 8.290 nan 0.000 0.508 172 I N 1.195 121.715 120.570 -0.083 0.000 2.454 172 I HA -0.093 4.077 4.170 -0.000 0.000 0.254 172 I C 2.505 178.555 176.117 -0.112 0.000 1.156 172 I CA 2.338 63.598 61.300 -0.067 0.000 1.433 172 I CB -0.064 37.912 38.000 -0.041 0.000 1.082 172 I HN 0.469 nan 8.210 nan 0.000 0.432 173 E N -0.348 119.722 120.200 -0.217 0.000 2.333 173 E HA -0.262 4.088 4.350 -0.000 0.000 0.198 173 E C 1.204 177.655 176.600 -0.249 0.000 1.007 173 E CA 1.309 57.569 56.400 -0.233 0.000 0.845 173 E CB -0.978 28.569 29.700 -0.256 0.000 0.766 173 E HN 0.631 nan 8.360 nan 0.000 0.507 174 H N -0.106 118.960 119.070 -0.007 0.000 2.539 174 H HA 0.180 4.736 4.556 0.000 0.000 0.267 174 H C 0.423 175.736 175.328 -0.025 0.000 0.982 174 H CA -0.008 56.032 56.048 -0.013 0.000 1.146 174 H CB -0.156 29.596 29.762 -0.018 0.000 1.382 174 H HN 0.136 nan 8.280 nan 0.000 0.577 175 C N 1.882 121.201 119.300 0.032 0.000 2.364 175 C HA 0.541 5.001 4.460 -0.000 0.000 0.356 175 C C 1.205 176.186 174.990 -0.015 0.000 1.201 175 C CA -0.869 58.148 59.018 -0.001 0.000 2.227 175 C CB 0.846 28.574 27.740 -0.019 0.000 2.387 175 C HN 0.386 nan 8.230 nan 0.000 0.546 176 I N 0.503 121.051 120.570 -0.035 0.000 3.133 176 I HA 0.866 5.036 4.170 -0.000 0.000 0.311 176 I C 0.143 176.203 176.117 -0.095 0.000 1.072 176 I CA -0.200 61.068 61.300 -0.053 0.000 1.015 176 I CB 1.746 39.721 38.000 -0.042 0.000 1.233 176 I HN 0.671 nan 8.210 nan 0.000 0.473 177 S N 0.215 115.828 115.700 -0.145 0.000 2.801 177 S HA 0.362 4.832 4.470 -0.000 0.000 0.312 177 S C 0.947 175.385 174.600 -0.269 0.000 1.112 177 S CA 0.035 58.114 58.200 -0.202 0.000 0.943 177 S CB 1.033 64.084 63.200 -0.249 0.000 1.269 177 S HN 0.885 nan 8.310 nan 0.000 0.558 178 S N 0.995 116.508 115.700 -0.312 0.000 2.440 178 S HA -0.151 4.319 4.470 -0.000 0.000 0.238 178 S C 1.357 175.845 174.600 -0.187 0.000 1.010 178 S CA 1.158 59.099 58.200 -0.432 0.000 0.972 178 S CB -0.959 62.108 63.200 -0.222 0.000 0.774 178 S HN 0.660 nan 8.310 nan 0.000 0.501 179 N N 2.081 120.655 118.700 -0.211 0.000 2.106 179 N HA -0.041 4.699 4.740 -0.000 0.000 0.188 179 N C 1.648 177.142 175.510 -0.025 0.000 1.029 179 N CA 1.670 54.570 53.050 -0.250 0.000 0.848 179 N CB -0.499 37.385 38.487 -1.006 0.000 1.007 179 N HN 0.532 nan 8.380 nan 0.000 0.423 180 E N 0.605 120.743 120.200 -0.104 0.000 2.216 180 E HA 0.119 4.469 4.350 -0.000 0.000 0.192 180 E C 1.834 178.575 176.600 0.235 0.000 0.988 180 E CA 0.636 57.128 56.400 0.153 0.000 0.834 180 E CB -0.241 29.503 29.700 0.073 0.000 0.772 180 E HN 0.329 nan 8.360 nan 0.000 0.479 181 A N 0.243 123.090 122.820 0.045 0.000 1.940 181 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 181 A C 1.654 179.377 177.584 0.231 0.000 1.176 181 A CA 1.088 53.153 52.037 0.046 0.000 0.631 181 A CB -0.773 17.924 19.000 -0.504 0.000 0.814 181 A HN 0.254 nan 8.150 nan 0.000 0.446 182 F N -2.188 117.882 119.950 0.201 0.000 2.546 182 F HA -0.050 4.477 4.527 -0.000 0.000 0.298 182 F C 1.107 176.705 175.800 -0.336 0.000 1.120 182 F CA 1.009 58.983 58.000 -0.044 0.000 1.456 182 F CB -0.244 38.661 39.000 -0.158 0.000 1.088 182 F HN 0.340 nan 8.300 nan 0.000 0.572 183 Y N -1.237 119.299 120.300 0.394 0.000 2.675 183 Y HA 0.308 4.858 4.550 -0.000 0.000 0.248 183 Y C 0.440 176.532 175.900 0.319 0.000 1.161 183 Y CA -0.853 57.434 58.100 0.311 0.000 1.203 183 Y CB -0.128 38.525 38.460 0.320 0.000 1.262 183 Y HN -0.283 nan 8.280 nan 0.000 0.544 184 L N 4.169 125.696 121.223 0.507 0.000 2.601 184 L HA -0.024 4.316 4.340 -0.000 0.000 0.277 184 L C -1.035 176.156 176.870 0.535 0.000 1.219 184 L CA -0.881 54.249 54.840 0.483 0.000 0.915 184 L CB 0.559 42.909 42.059 0.485 0.000 1.160 184 L HN 0.029 nan 8.230 nan 0.000 0.494 185 P HA -0.085 nan 4.420 nan 0.000 0.222 185 P C 0.022 177.533 177.300 0.352 0.000 1.147 185 P CA 1.197 64.476 63.100 0.299 0.000 0.790 185 P CB 0.464 32.277 31.700 0.189 0.000 0.780 186 E N -0.475 119.879 120.200 0.256 0.000 2.356 186 E HA 0.331 4.681 4.350 -0.000 0.000 0.275 186 E C -2.791 173.546 176.600 -0.438 0.000 0.904 186 E CA -2.667 53.760 56.400 0.045 0.000 0.757 186 E CB 2.509 32.216 29.700 0.012 0.000 1.232 186 E HN -0.043 nan 8.360 nan 0.000 0.442 187 P HA 0.133 nan 4.420 nan 0.000 0.271 187 P C -2.587 174.434 177.300 -0.466 0.000 1.216 187 P CA -1.251 61.236 63.100 -1.022 0.000 0.771 187 P CB -0.066 31.215 31.700 -0.698 0.000 0.864 188 P HA 0.204 nan 4.420 nan 0.000 0.275 188 P C 0.905 178.069 177.300 -0.227 0.000 1.227 188 P CA -0.278 62.624 63.100 -0.331 0.000 0.781 188 P CB 1.212 32.643 31.700 -0.449 0.000 0.906 189 R N 2.904 123.314 120.500 -0.150 0.000 2.062 189 R HA -0.050 4.290 4.340 -0.000 0.000 0.231 189 R C 0.373 176.617 176.300 -0.094 0.000 1.136 189 R CA 1.207 57.250 56.100 -0.095 0.000 0.948 189 R CB 0.170 30.431 30.300 -0.064 0.000 0.845 189 R HN 0.450 nan 8.270 nan 0.000 0.430 190 R N -0.074 120.360 120.500 -0.110 0.000 2.534 190 R HA 0.423 4.763 4.340 -0.000 0.000 0.301 190 R C -1.667 174.541 176.300 -0.152 0.000 0.961 190 R CA -0.498 55.543 56.100 -0.098 0.000 0.871 190 R CB 2.687 32.950 30.300 -0.061 0.000 1.170 190 R HN 0.054 nan 8.270 nan 0.000 0.446 191 V N 4.710 124.528 119.914 -0.160 0.000 2.808 191 V HA 0.505 4.625 4.120 -0.000 0.000 0.308 191 V C -1.874 174.153 176.094 -0.113 0.000 1.099 191 V CA -0.950 61.212 62.300 -0.231 0.000 0.920 191 V CB 2.055 33.569 31.823 -0.516 0.000 1.014 191 V HN 0.607 nan 8.190 nan 0.000 0.425 192 L N 6.505 127.678 121.223 -0.083 0.000 2.287 192 L HA 0.800 5.140 4.340 -0.000 0.000 0.287 192 L C 0.242 177.119 176.870 0.011 0.000 1.022 192 L CA 0.382 55.222 54.840 -0.001 0.000 0.814 192 L CB 1.726 43.800 42.059 0.026 0.000 1.217 192 L HN 0.922 nan 8.230 nan 0.000 0.420 193 T N 2.497 117.093 114.554 0.069 0.000 2.753 193 T HA 0.565 4.915 4.350 -0.000 0.000 0.297 193 T C -0.219 174.538 174.700 0.095 0.000 0.981 193 T CA -0.704 61.455 62.100 0.097 0.000 0.956 193 T CB 0.752 69.722 68.868 0.169 0.000 0.936 193 T HN 0.312 nan 8.240 nan 0.000 0.463 194 V N 3.759 123.718 119.914 0.075 0.000 2.408 194 V HA 0.769 4.889 4.120 -0.000 0.000 0.267 194 V C 0.995 177.151 176.094 0.104 0.000 1.047 194 V CA 0.385 62.740 62.300 0.092 0.000 0.937 194 V CB 0.002 31.858 31.823 0.054 0.000 0.999 194 V HN 1.458 nan 8.190 nan 0.000 0.472 195 G N 3.544 112.432 108.800 0.147 0.000 2.335 195 G HA2 0.370 4.330 3.960 -0.000 0.000 0.592 195 G HA3 0.370 4.330 3.960 -0.000 0.000 0.592 195 G C -0.034 174.931 174.900 0.109 0.000 1.442 195 G CA -0.382 44.812 45.100 0.157 0.000 0.976 195 G HN 1.022 nan 8.290 nan 0.000 0.652 196 G N -0.506 108.293 108.800 -0.001 0.000 3.899 196 G HA2 0.673 4.633 3.960 -0.000 0.000 0.293 196 G HA3 0.673 4.633 3.960 -0.000 0.000 0.293 196 G C 0.650 175.377 174.900 -0.289 0.000 1.054 196 G CA 1.065 45.965 45.100 -0.334 0.000 0.846 196 G HN 1.311 nan 8.290 nan 0.000 0.525 197 G N -0.531 108.207 108.800 -0.104 0.000 2.971 197 G HA2 0.474 4.434 3.960 -0.000 0.000 0.235 197 G HA3 0.474 4.434 3.960 -0.000 0.000 0.235 197 G C 0.615 175.486 174.900 -0.048 0.000 1.351 197 G CA -0.815 44.251 45.100 -0.057 0.000 1.039 197 G HN -0.029 nan 8.290 nan 0.000 0.563 198 F N -0.390 119.557 119.950 -0.004 0.000 2.063 198 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 198 F C 2.623 178.451 175.800 0.046 0.000 1.109 198 F CA 1.648 59.654 58.000 0.010 0.000 1.212 198 F CB -0.290 38.761 39.000 0.086 0.000 0.973 198 F HN 0.124 nan 8.300 nan 0.000 0.480 199 I N -1.599 119.150 120.570 0.298 0.000 2.406 199 I HA -0.233 3.937 4.170 -0.000 0.000 0.249 199 I C 2.579 178.844 176.117 0.247 0.000 1.122 199 I CA 1.129 62.595 61.300 0.277 0.000 1.431 199 I CB -0.495 37.639 38.000 0.224 0.000 1.087 199 I HN 0.102 nan 8.210 nan 0.000 0.424 200 S N 0.411 116.204 115.700 0.155 0.000 2.368 200 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 200 S C 1.993 176.659 174.600 0.110 0.000 1.030 200 S CA 1.280 59.557 58.200 0.130 0.000 0.999 200 S CB -0.070 63.181 63.200 0.084 0.000 0.844 200 S HN 0.223 nan 8.310 nan 0.000 0.459 201 V N 1.315 121.254 119.914 0.041 0.000 2.649 201 V HA 0.013 4.133 4.120 -0.000 0.000 0.248 201 V C 2.287 178.377 176.094 -0.006 0.000 1.054 201 V CA 1.409 63.697 62.300 -0.019 0.000 1.073 201 V CB -0.496 31.251 31.823 -0.128 0.000 0.699 201 V HN 0.480 nan 8.190 nan 0.000 0.463 202 E N -0.475 119.740 120.200 0.025 0.000 2.072 202 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 202 E C 2.055 178.581 176.600 -0.124 0.000 0.982 202 E CA 1.125 57.507 56.400 -0.030 0.000 0.803 202 E CB -0.140 29.563 29.700 0.005 0.000 0.755 202 E HN 0.551 nan 8.360 nan 0.000 0.453 203 F N 1.065 120.947 119.950 -0.113 0.000 2.234 203 F HA -0.120 4.407 4.527 0.000 0.000 0.299 203 F C 2.319 177.994 175.800 -0.208 0.000 1.087 203 F CA 0.955 58.785 58.000 -0.283 0.000 1.340 203 F CB -0.202 38.613 39.000 -0.309 0.000 1.031 203 F HN 0.007 nan 8.300 nan 0.000 0.500 204 A N 0.134 123.043 122.820 0.149 0.000 1.877 204 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 204 A C 2.581 180.230 177.584 0.107 0.000 1.186 204 A CA 1.786 53.934 52.037 0.186 0.000 0.620 204 A CB -1.613 17.458 19.000 0.119 0.000 0.822 204 A HN 0.397 nan 8.150 nan 0.000 0.443 205 G N 0.074 108.888 108.800 0.023 0.000 2.469 205 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.219 205 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.219 205 G C 1.528 176.434 174.900 0.010 0.000 1.150 205 G CA 1.259 46.360 45.100 0.002 0.000 0.763 205 G HN 0.492 nan 8.290 nan 0.000 0.561 206 I N -0.203 120.310 120.570 -0.094 0.000 2.113 206 I HA -0.101 4.069 4.170 -0.000 0.000 0.238 206 I C 2.481 178.668 176.117 0.117 0.000 1.070 206 I CA 0.895 62.147 61.300 -0.079 0.000 1.332 206 I CB -0.347 37.405 38.000 -0.412 0.000 1.044 206 I HN 0.038 nan 8.210 nan 0.000 0.402 207 F N 1.118 121.162 119.950 0.156 0.000 2.154 207 F HA -0.264 4.263 4.527 -0.000 0.000 0.301 207 F C 2.360 178.211 175.800 0.085 0.000 1.087 207 F CA 1.703 59.756 58.000 0.088 0.000 1.274 207 F CB -1.362 37.659 39.000 0.036 0.000 1.009 207 F HN 0.177 nan 8.300 nan 0.000 0.485 208 N N 0.334 119.181 118.700 0.246 0.000 2.166 208 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 208 N C 1.763 177.342 175.510 0.115 0.000 1.019 208 N CA 1.344 54.479 53.050 0.142 0.000 0.856 208 N CB -0.300 38.239 38.487 0.087 0.000 0.993 208 N HN 0.175 nan 8.380 nan 0.000 0.426 209 A N -1.495 121.407 122.820 0.137 0.000 2.014 209 A HA -0.004 4.315 4.320 -0.000 0.000 0.218 209 A C 1.190 178.754 177.584 -0.033 0.000 1.163 209 A CA 0.832 52.895 52.037 0.042 0.000 0.652 209 A CB -0.506 18.507 19.000 0.023 0.000 0.808 209 A HN 0.496 nan 8.150 nan 0.000 0.449 210 Y N 0.403 120.783 120.300 0.132 0.000 2.467 210 Y HA 0.145 4.695 4.550 -0.000 0.000 0.250 210 Y C 0.784 176.727 175.900 0.071 0.000 1.155 210 Y CA -0.329 57.865 58.100 0.156 0.000 1.249 210 Y CB 0.327 38.973 38.460 0.310 0.000 1.146 210 Y HN 0.282 nan 8.280 nan 0.000 0.524 211 K N 2.070 122.561 120.400 0.152 0.000 2.436 211 K HA 0.131 4.451 4.320 -0.000 0.000 0.275 211 K C -2.668 173.958 176.600 0.042 0.000 0.999 211 K CA -1.449 54.874 56.287 0.059 0.000 0.980 211 K CB -0.058 32.466 32.500 0.041 0.000 0.919 211 K HN -0.059 nan 8.250 nan 0.000 0.484 212 P HA 0.112 nan 4.420 nan 0.000 0.272 212 P C -2.413 174.894 177.300 0.013 0.000 1.240 212 P CA -1.287 61.824 63.100 0.019 0.000 0.791 212 P CB -0.590 31.113 31.700 0.004 0.000 0.978 213 P HA -0.063 nan 4.420 nan 0.000 0.266 213 P C 0.909 178.211 177.300 0.004 0.000 1.186 213 P CA 1.088 64.195 63.100 0.012 0.000 0.767 213 P CB -0.256 31.453 31.700 0.014 0.000 0.820 214 G N 1.322 110.123 108.800 0.002 0.000 2.168 214 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.257 214 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.257 214 G C 0.552 175.447 174.900 -0.008 0.000 0.997 214 G CA 0.039 45.137 45.100 -0.003 0.000 0.708 214 G HN 0.929 nan 8.290 nan 0.000 0.520 215 G N -1.051 107.745 108.800 -0.007 0.000 2.451 215 G HA2 0.659 4.619 3.960 -0.000 0.000 0.303 215 G HA3 0.659 4.619 3.960 -0.000 0.000 0.303 215 G C -0.469 174.424 174.900 -0.011 0.000 1.166 215 G CA -0.110 44.981 45.100 -0.015 0.000 0.884 215 G HN 0.566 nan 8.290 nan 0.000 0.514 216 K N 0.184 120.573 120.400 -0.018 0.000 2.553 216 K HA 0.491 4.811 4.320 -0.000 0.000 0.250 216 K C -1.136 175.457 176.600 -0.010 0.000 0.953 216 K CA -0.536 55.744 56.287 -0.011 0.000 0.800 216 K CB 1.907 34.399 32.500 -0.013 0.000 1.243 216 K HN 0.299 nan 8.250 nan 0.000 0.435 217 V N 3.370 123.291 119.914 0.012 0.000 2.472 217 V HA 0.601 4.721 4.120 -0.000 0.000 0.290 217 V C -0.453 175.657 176.094 0.027 0.000 1.037 217 V CA -0.553 61.765 62.300 0.031 0.000 0.908 217 V CB 1.850 33.727 31.823 0.090 0.000 0.985 217 V HN 0.861 nan 8.190 nan 0.000 0.454 218 T N 5.951 120.524 114.554 0.032 0.000 2.841 218 T HA 0.536 4.886 4.350 -0.000 0.000 0.285 218 T C -0.677 174.061 174.700 0.063 0.000 0.991 218 T CA -0.312 61.810 62.100 0.037 0.000 0.966 218 T CB 1.449 70.341 68.868 0.039 0.000 0.962 218 T HN 0.578 nan 8.240 nan 0.000 0.438 219 L N 4.327 125.586 121.223 0.060 0.000 2.305 219 L HA 0.709 5.049 4.340 -0.000 0.000 0.284 219 L C -0.081 176.844 176.870 0.093 0.000 1.013 219 L CA -0.793 54.095 54.840 0.081 0.000 0.819 219 L CB 0.253 42.350 42.059 0.064 0.000 1.227 219 L HN 0.955 nan 8.230 nan 0.000 0.417 220 C N 3.221 122.604 119.300 0.138 0.000 2.358 220 C HA 0.640 5.100 4.460 -0.000 0.000 0.342 220 C C -0.569 174.558 174.990 0.227 0.000 1.234 220 C CA -0.865 58.252 59.018 0.164 0.000 1.969 220 C CB 0.598 28.494 27.740 0.262 0.000 2.346 220 C HN 0.805 nan 8.230 nan 0.000 0.525 221 Y N 3.477 123.800 120.300 0.038 0.000 2.406 221 Y HA 0.515 5.065 4.550 -0.000 0.000 0.340 221 Y C 1.272 177.191 175.900 0.033 0.000 0.975 221 Y CA -1.354 56.765 58.100 0.032 0.000 1.056 221 Y CB 1.307 39.773 38.460 0.011 0.000 1.210 221 Y HN 0.910 nan 8.280 nan 0.000 0.448 222 R N 2.092 122.264 120.500 -0.546 0.000 2.237 222 R HA 0.051 4.390 4.340 -0.000 0.000 0.219 222 R C -0.570 175.363 176.300 -0.611 0.000 1.080 222 R CA 1.304 57.142 56.100 -0.437 0.000 0.995 222 R CB -0.232 29.947 30.300 -0.202 0.000 0.875 222 R HN 0.638 nan 8.270 nan 0.000 0.462 223 N N -0.703 117.241 118.700 -1.261 0.000 3.255 223 N HA 0.126 4.866 4.740 -0.000 0.000 0.359 223 N C -0.264 175.029 175.510 -0.361 0.000 1.463 223 N CA -0.788 51.870 53.050 -0.654 0.000 0.695 223 N CB 0.552 38.835 38.487 -0.341 0.000 1.581 223 N HN -0.033 nan 8.380 nan 0.000 0.622 224 N N -0.305 118.381 118.700 -0.023 0.000 2.336 224 N HA 0.040 4.780 4.740 -0.000 0.000 0.177 224 N C -0.708 174.907 175.510 0.176 0.000 1.018 224 N CA 0.569 53.652 53.050 0.056 0.000 0.878 224 N CB 0.404 38.908 38.487 0.029 0.000 0.997 224 N HN 0.184 nan 8.380 nan 0.000 0.433 225 L N 2.141 123.541 121.223 0.294 0.000 2.406 225 L HA 0.436 4.776 4.340 -0.000 0.000 0.272 225 L C -0.206 176.704 176.870 0.065 0.000 0.980 225 L CA -0.852 54.093 54.840 0.175 0.000 0.831 225 L CB 1.326 43.430 42.059 0.076 0.000 1.253 225 L HN 0.057 nan 8.230 nan 0.000 0.406 226 I N 2.526 123.007 120.570 -0.149 0.000 3.112 226 I HA 0.195 4.365 4.170 -0.000 0.000 0.284 226 I C 0.319 176.212 176.117 -0.372 0.000 1.227 226 I CA -0.452 60.522 61.300 -0.544 0.000 1.369 226 I CB 0.215 37.982 38.000 -0.388 0.000 1.376 226 I HN 0.795 nan 8.210 nan 0.000 0.608 227 L N 1.097 122.066 121.223 -0.424 0.000 3.598 227 L HA -0.178 4.162 4.340 -0.000 0.000 0.422 227 L C 0.704 177.557 176.870 -0.028 0.000 1.262 227 L CA 0.346 55.020 54.840 -0.278 0.000 0.889 227 L CB -1.277 40.511 42.059 -0.452 0.000 1.857 227 L HN 0.835 nan 8.230 nan 0.000 0.858 228 R N 0.833 121.313 120.500 -0.035 0.000 2.583 228 R HA 0.246 4.586 4.340 -0.000 0.000 0.274 228 R C 1.451 177.830 176.300 0.130 0.000 0.998 228 R CA 1.560 57.695 56.100 0.059 0.000 1.081 228 R CB 0.302 30.647 30.300 0.076 0.000 0.940 228 R HN 0.478 nan 8.270 nan 0.000 0.413 229 G N 2.907 111.753 108.800 0.076 0.000 2.254 229 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.225 229 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.225 229 G C -0.073 174.739 174.900 -0.147 0.000 1.003 229 G CA -0.063 45.023 45.100 -0.023 0.000 0.622 229 G HN 0.510 nan 8.290 nan 0.000 0.507 230 F N 1.584 121.476 119.950 -0.097 0.000 2.410 230 F HA 0.493 5.020 4.527 -0.000 0.000 0.324 230 F C 0.908 176.607 175.800 -0.168 0.000 1.093 230 F CA -0.365 57.560 58.000 -0.125 0.000 1.028 230 F CB 0.578 39.483 39.000 -0.158 0.000 1.309 230 F HN 0.023 nan 8.300 nan 0.000 0.499 231 D N 1.501 121.868 120.400 -0.056 0.000 2.487 231 D HA -0.093 4.547 4.640 -0.000 0.000 0.243 231 D C 0.867 177.131 176.300 -0.060 0.000 1.154 231 D CA 0.322 54.200 54.000 -0.204 0.000 0.876 231 D CB 0.850 41.463 40.800 -0.312 0.000 1.161 231 D HN 0.662 nan 8.370 nan 0.000 0.478 232 E N 1.991 122.164 120.200 -0.046 0.000 2.049 232 E HA -0.197 4.153 4.350 -0.000 0.000 0.198 232 E C 1.616 178.214 176.600 -0.004 0.000 1.007 232 E CA 1.675 58.070 56.400 -0.008 0.000 0.809 232 E CB 0.173 29.881 29.700 0.015 0.000 0.749 232 E HN 0.606 nan 8.360 nan 0.000 0.450 233 T N 1.264 115.824 114.554 0.009 0.000 2.665 233 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 233 T C 1.944 176.637 174.700 -0.012 0.000 1.035 233 T CA 1.340 63.449 62.100 0.014 0.000 1.151 233 T CB -0.236 68.657 68.868 0.043 0.000 0.862 233 T HN 0.166 nan 8.240 nan 0.000 0.438 234 I N 0.628 121.183 120.570 -0.025 0.000 2.226 234 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 234 I C 2.761 178.832 176.117 -0.077 0.000 1.100 234 I CA 1.271 62.540 61.300 -0.052 0.000 1.374 234 I CB -0.308 37.668 38.000 -0.040 0.000 1.057 234 I HN 0.154 nan 8.210 nan 0.000 0.413 235 R N 0.827 121.287 120.500 -0.065 0.000 2.091 235 R HA -0.203 4.137 4.340 -0.000 0.000 0.238 235 R C 2.127 178.381 176.300 -0.077 0.000 1.136 235 R CA 1.727 57.773 56.100 -0.091 0.000 0.959 235 R CB -0.395 29.868 30.300 -0.062 0.000 0.856 235 R HN 0.484 nan 8.270 nan 0.000 0.437 236 E N 0.142 120.314 120.200 -0.046 0.000 2.106 236 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 236 E C 1.930 178.506 176.600 -0.040 0.000 0.984 236 E CA 0.582 56.961 56.400 -0.035 0.000 0.806 236 E CB 0.053 29.742 29.700 -0.018 0.000 0.750 236 E HN 0.209 nan 8.360 nan 0.000 0.458 237 E N 0.743 120.917 120.200 -0.043 0.000 2.072 237 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 237 E C 2.179 178.744 176.600 -0.058 0.000 0.982 237 E CA 0.412 56.788 56.400 -0.040 0.000 0.803 237 E CB -0.262 29.414 29.700 -0.041 0.000 0.755 237 E HN 0.076 nan 8.360 nan 0.000 0.453 238 V N 0.841 120.701 119.914 -0.090 0.000 2.515 238 V HA -0.221 3.899 4.120 -0.000 0.000 0.250 238 V C 2.021 178.058 176.094 -0.095 0.000 1.058 238 V CA 2.159 64.395 62.300 -0.107 0.000 1.064 238 V CB -0.431 31.295 31.823 -0.162 0.000 0.675 238 V HN 0.301 nan 8.190 nan 0.000 0.461 239 T N -0.226 114.274 114.554 -0.090 0.000 2.652 239 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 239 T C 1.878 176.535 174.700 -0.071 0.000 1.039 239 T CA 1.966 64.021 62.100 -0.076 0.000 1.153 239 T CB -0.224 68.607 68.868 -0.061 0.000 0.863 239 T HN 0.472 nan 8.240 nan 0.000 0.428 240 K N 0.787 121.151 120.400 -0.060 0.000 2.063 240 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 240 K C 2.641 179.181 176.600 -0.100 0.000 1.048 240 K CA 1.428 57.677 56.287 -0.064 0.000 0.928 240 K CB -0.129 32.352 32.500 -0.031 0.000 0.713 240 K HN 0.438 nan 8.250 nan 0.000 0.442 241 Q N 0.300 120.060 119.800 -0.068 0.000 2.172 241 Q HA -0.061 4.279 4.340 -0.000 0.000 0.200 241 Q C 2.175 178.087 176.000 -0.146 0.000 0.964 241 Q CA 0.845 56.611 55.803 -0.062 0.000 0.855 241 Q CB 0.048 28.822 28.738 0.061 0.000 0.918 241 Q HN 0.318 nan 8.270 nan 0.000 0.444 242 L N -0.099 121.058 121.223 -0.111 0.000 2.023 242 L HA -0.154 4.186 4.340 -0.000 0.000 0.205 242 L C 2.422 179.212 176.870 -0.132 0.000 1.073 242 L CA 1.260 56.039 54.840 -0.103 0.000 0.745 242 L CB -0.791 41.221 42.059 -0.078 0.000 0.900 242 L HN 0.223 nan 8.230 nan 0.000 0.435 243 T N 0.353 114.829 114.554 -0.130 0.000 2.624 243 T HA -0.293 4.057 4.350 -0.000 0.000 0.268 243 T C 1.967 176.541 174.700 -0.209 0.000 1.041 243 T CA 1.678 63.697 62.100 -0.135 0.000 1.159 243 T CB -0.428 68.374 68.868 -0.110 0.000 0.863 243 T HN 0.467 nan 8.240 nan 0.000 0.434 244 A N 1.619 124.239 122.820 -0.334 0.000 1.986 244 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 244 A C 2.060 179.304 177.584 -0.567 0.000 1.171 244 A CA 1.842 53.533 52.037 -0.577 0.000 0.640 244 A CB -0.652 17.675 19.000 -1.123 0.000 0.811 244 A HN 0.455 nan 8.150 nan 0.000 0.451 245 N N -1.298 117.155 118.700 -0.412 0.000 2.314 245 N HA 0.241 4.981 4.740 -0.000 0.000 0.200 245 N C 0.812 176.258 175.510 -0.107 0.000 1.135 245 N CA 1.055 53.981 53.050 -0.206 0.000 0.835 245 N CB 0.186 38.617 38.487 -0.094 0.000 0.989 245 N HN 0.588 nan 8.380 nan 0.000 0.478 246 G N -0.133 108.599 108.800 -0.114 0.000 2.148 246 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.203 246 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.203 246 G C -0.156 174.718 174.900 -0.042 0.000 0.993 246 G CA -0.225 44.836 45.100 -0.064 0.000 0.661 246 G HN 0.251 nan 8.290 nan 0.000 0.518 247 I N 1.220 121.762 120.570 -0.047 0.000 2.336 247 I HA 0.424 4.594 4.170 -0.000 0.000 0.292 247 I C 0.380 176.479 176.117 -0.031 0.000 0.991 247 I CA -0.815 60.471 61.300 -0.023 0.000 1.227 247 I CB 1.615 39.608 38.000 -0.011 0.000 1.366 247 I HN 0.191 nan 8.210 nan 0.000 0.466 248 E N 7.279 127.467 120.200 -0.020 0.000 2.180 248 E HA 0.306 4.656 4.350 -0.000 0.000 0.283 248 E C -0.933 175.657 176.600 -0.017 0.000 1.061 248 E CA -0.174 56.209 56.400 -0.027 0.000 0.861 248 E CB 0.561 30.244 29.700 -0.028 0.000 1.056 248 E HN 0.422 nan 8.360 nan 0.000 0.407 249 I N 5.905 126.460 120.570 -0.024 0.000 2.291 249 I HA 0.161 4.331 4.170 -0.000 0.000 0.292 249 I C 0.136 176.243 176.117 -0.017 0.000 1.064 249 I CA -0.072 61.223 61.300 -0.009 0.000 1.269 249 I CB 0.619 38.613 38.000 -0.011 0.000 1.418 249 I HN 0.490 nan 8.210 nan 0.000 0.485 250 M N 6.636 126.225 119.600 -0.018 0.000 2.094 250 M HA 0.223 4.703 4.480 -0.000 0.000 0.348 250 M C 0.243 176.530 176.300 -0.023 0.000 1.267 250 M CA -0.319 54.941 55.300 -0.067 0.000 1.125 250 M CB 0.777 33.288 32.600 -0.148 0.000 1.527 250 M HN 0.588 nan 8.290 nan 0.000 0.447 251 T N -0.398 114.139 114.554 -0.028 0.000 2.929 251 T HA 0.378 4.728 4.350 -0.000 0.000 0.284 251 T C 0.598 175.248 174.700 -0.082 0.000 1.014 251 T CA -0.743 61.354 62.100 -0.005 0.000 1.051 251 T CB 1.055 69.949 68.868 0.043 0.000 1.028 251 T HN 0.756 nan 8.240 nan 0.000 0.485 252 N N 1.089 119.703 118.700 -0.144 0.000 2.735 252 N HA -0.131 4.609 4.740 -0.000 0.000 0.248 252 N C -0.906 174.535 175.510 -0.115 0.000 1.083 252 N CA 0.882 53.843 53.050 -0.149 0.000 0.703 252 N CB -0.705 37.721 38.487 -0.101 0.000 1.005 252 N HN 0.777 nan 8.380 nan 0.000 0.550 253 E N 0.456 120.597 120.200 -0.099 0.000 2.292 253 E HA 0.465 4.815 4.350 -0.000 0.000 0.272 253 E C -0.762 175.917 176.600 0.132 0.000 0.881 253 E CA -0.586 55.800 56.400 -0.023 0.000 0.754 253 E CB 2.197 31.770 29.700 -0.213 0.000 1.201 253 E HN 0.204 nan 8.360 nan 0.000 0.425 254 N N 1.942 120.796 118.700 0.257 0.000 2.336 254 N HA 0.398 5.138 4.740 -0.000 0.000 0.290 254 N C -2.995 172.598 175.510 0.139 0.000 1.058 254 N CA -1.789 51.373 53.050 0.185 0.000 0.865 254 N CB 2.147 40.670 38.487 0.061 0.000 1.581 254 N HN -0.004 nan 8.380 nan 0.000 0.480 255 P HA 0.181 nan 4.420 nan 0.000 0.271 255 P C -0.573 176.636 177.300 -0.152 0.000 1.220 255 P CA 0.019 62.940 63.100 -0.298 0.000 0.768 255 P CB 1.157 32.677 31.700 -0.299 0.000 0.848 256 A N 4.370 127.094 122.820 -0.161 0.000 2.035 256 A HA 0.170 4.490 4.320 -0.000 0.000 0.208 256 A C 0.538 178.077 177.584 -0.075 0.000 1.206 256 A CA 1.019 53.009 52.037 -0.078 0.000 0.773 256 A CB -0.126 18.849 19.000 -0.042 0.000 0.878 256 A HN 0.575 nan 8.150 nan 0.000 0.469 257 K N -1.776 118.557 120.400 -0.113 0.000 2.597 257 K HA 0.628 4.948 4.320 -0.000 0.000 0.282 257 K C -1.964 174.577 176.600 -0.098 0.000 0.975 257 K CA -0.729 55.516 56.287 -0.071 0.000 0.867 257 K CB 1.703 34.186 32.500 -0.028 0.000 1.465 257 K HN -0.041 nan 8.250 nan 0.000 0.417 258 V N 1.347 121.247 119.914 -0.023 0.000 2.686 258 V HA 0.603 4.723 4.120 -0.000 0.000 0.306 258 V C -0.805 175.342 176.094 0.087 0.000 1.065 258 V CA -0.455 61.845 62.300 -0.001 0.000 0.894 258 V CB 1.592 33.440 31.823 0.041 0.000 1.004 258 V HN 1.022 nan 8.190 nan 0.000 0.424 259 S N 4.390 120.107 115.700 0.028 0.000 2.667 259 S HA 0.842 5.312 4.470 -0.000 0.000 0.292 259 S C -1.062 173.432 174.600 -0.177 0.000 1.126 259 S CA -0.941 57.235 58.200 -0.040 0.000 0.881 259 S CB 1.809 65.029 63.200 0.032 0.000 1.132 259 S HN 0.492 nan 8.310 nan 0.000 0.492 260 L N 2.247 123.296 121.223 -0.290 0.000 2.289 260 L HA 0.471 4.811 4.340 -0.000 0.000 0.285 260 L C 0.220 177.012 176.870 -0.130 0.000 1.049 260 L CA -0.929 53.760 54.840 -0.253 0.000 0.804 260 L CB 0.787 42.667 42.059 -0.298 0.000 1.195 260 L HN 0.647 nan 8.230 nan 0.000 0.428 261 N N 0.386 119.028 118.700 -0.095 0.000 2.317 261 N HA 0.057 4.797 4.740 -0.000 0.000 0.245 261 N C 1.280 176.744 175.510 -0.077 0.000 1.294 261 N CA 0.264 53.259 53.050 -0.093 0.000 0.924 261 N CB 0.726 39.168 38.487 -0.076 0.000 1.186 261 N HN 0.684 nan 8.380 nan 0.000 0.495 262 T N -2.268 112.245 114.554 -0.069 0.000 2.788 262 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 262 T C 0.875 175.551 174.700 -0.041 0.000 1.044 262 T CA 1.400 63.469 62.100 -0.051 0.000 1.139 262 T CB -0.318 68.523 68.868 -0.044 0.000 0.867 262 T HN 0.620 nan 8.240 nan 0.000 0.454 263 D N 1.217 121.593 120.400 -0.040 0.000 2.352 263 D HA 0.232 4.872 4.640 -0.000 0.000 0.232 263 D C 1.660 177.941 176.300 -0.033 0.000 1.055 263 D CA 0.577 54.559 54.000 -0.031 0.000 0.891 263 D CB -0.845 39.939 40.800 -0.027 0.000 0.897 263 D HN 0.642 nan 8.370 nan 0.000 0.529 264 G N 0.046 108.820 108.800 -0.044 0.000 2.234 264 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.260 264 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.260 264 G C 0.572 175.438 174.900 -0.057 0.000 0.987 264 G CA 0.590 45.661 45.100 -0.049 0.000 0.625 264 G HN 0.880 nan 8.290 nan 0.000 0.532 265 S N -0.391 115.280 115.700 -0.048 0.000 2.596 265 S HA 0.583 5.053 4.470 -0.000 0.000 0.260 265 S C 0.083 174.651 174.600 -0.054 0.000 1.336 265 S CA 0.427 58.600 58.200 -0.045 0.000 0.993 265 S CB 1.278 64.460 63.200 -0.030 0.000 0.923 265 S HN 0.427 nan 8.310 nan 0.000 0.567 266 K N 0.762 121.136 120.400 -0.044 0.000 2.213 266 K HA 0.331 4.651 4.320 -0.000 0.000 0.270 266 K C -0.957 175.648 176.600 0.008 0.000 1.002 266 K CA -0.291 55.968 56.287 -0.047 0.000 0.868 266 K CB 0.904 33.371 32.500 -0.055 0.000 1.093 266 K HN 0.719 nan 8.250 nan 0.000 0.454 267 H N 2.392 121.406 119.070 -0.093 0.000 2.685 267 H HA 0.325 4.881 4.556 -0.000 0.000 0.286 267 H C -1.035 174.242 175.328 -0.085 0.000 1.102 267 H CA -0.632 55.374 56.048 -0.069 0.000 1.254 267 H CB 0.333 30.058 29.762 -0.061 0.000 1.397 267 H HN 0.238 nan 8.280 nan 0.000 0.473 268 V N 5.413 125.116 119.914 -0.352 0.000 2.465 268 V HA 0.255 4.375 4.120 -0.000 0.000 0.279 268 V C 0.303 176.080 176.094 -0.529 0.000 1.045 268 V CA -0.428 61.612 62.300 -0.432 0.000 0.938 268 V CB 1.416 32.955 31.823 -0.473 0.000 0.986 268 V HN 0.843 nan 8.190 nan 0.000 0.467 269 T N 5.721 120.012 114.554 -0.438 0.000 2.770 269 T HA 0.596 4.946 4.350 -0.000 0.000 0.283 269 T C -0.385 174.124 174.700 -0.317 0.000 0.988 269 T CA -0.134 61.806 62.100 -0.267 0.000 0.957 269 T CB 0.477 69.267 68.868 -0.129 0.000 0.930 269 T HN 0.273 nan 8.240 nan 0.000 0.443 270 F N 1.223 121.130 119.950 -0.072 0.000 2.380 270 F HA 0.266 4.793 4.527 -0.000 0.000 0.325 270 F C 2.014 177.791 175.800 -0.038 0.000 1.136 270 F CA -0.669 57.301 58.000 -0.050 0.000 1.171 270 F CB 0.582 39.552 39.000 -0.050 0.000 1.230 270 F HN 0.642 nan 8.300 nan 0.000 0.554 271 E N 0.347 120.628 120.200 0.135 0.000 2.147 271 E HA -0.240 4.110 4.350 -0.000 0.000 0.199 271 E C 2.067 178.708 176.600 0.068 0.000 1.005 271 E CA 1.815 58.257 56.400 0.070 0.000 0.810 271 E CB -0.193 29.535 29.700 0.048 0.000 0.736 271 E HN 0.652 nan 8.360 nan 0.000 0.460 272 S N -0.847 114.908 115.700 0.091 0.000 2.547 272 S HA 0.021 4.491 4.470 -0.000 0.000 0.235 272 S C 1.708 176.339 174.600 0.050 0.000 0.980 272 S CA 0.700 58.928 58.200 0.047 0.000 0.941 272 S CB 0.130 63.336 63.200 0.011 0.000 0.763 272 S HN 0.459 nan 8.310 nan 0.000 0.532 273 G N 1.046 109.896 108.800 0.083 0.000 2.225 273 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.254 273 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.254 273 G C 0.106 175.061 174.900 0.091 0.000 0.988 273 G CA 0.369 45.511 45.100 0.071 0.000 0.625 273 G HN 0.818 nan 8.290 nan 0.000 0.527 274 K N 1.505 121.969 120.400 0.106 0.000 2.397 274 K HA 0.456 4.776 4.320 -0.000 0.000 0.265 274 K C 0.836 177.581 176.600 0.242 0.000 0.982 274 K CA 0.809 57.151 56.287 0.091 0.000 0.931 274 K CB 0.206 32.665 32.500 -0.068 0.000 0.943 274 K HN 0.474 nan 8.250 nan 0.000 0.501 275 T N 0.695 115.343 114.554 0.157 0.000 2.908 275 T HA 0.645 4.995 4.350 -0.000 0.000 0.290 275 T C -1.103 173.696 174.700 0.165 0.000 1.034 275 T CA -1.062 61.107 62.100 0.115 0.000 1.010 275 T CB 1.411 70.275 68.868 -0.007 0.000 1.068 275 T HN 0.427 nan 8.240 nan 0.000 0.481 276 L N 1.232 122.514 121.223 0.099 0.000 2.526 276 L HA 0.529 4.869 4.340 -0.000 0.000 0.263 276 L C -1.918 174.960 176.870 0.013 0.000 0.943 276 L CA -0.394 54.513 54.840 0.113 0.000 0.859 276 L CB 2.300 44.523 42.059 0.274 0.000 1.313 276 L HN 0.743 nan 8.230 nan 0.000 0.406 277 D N 4.064 124.494 120.400 0.050 0.000 2.232 277 D HA 0.640 5.280 4.640 -0.000 0.000 0.242 277 D C -0.468 175.839 176.300 0.013 0.000 1.093 277 D CA 0.187 54.217 54.000 0.050 0.000 0.845 277 D CB 2.078 42.927 40.800 0.082 0.000 1.124 277 D HN 0.421 nan 8.370 nan 0.000 0.467 278 V N -0.770 119.136 119.914 -0.014 0.000 3.160 278 V HA 0.445 4.565 4.120 -0.000 0.000 0.310 278 V C 0.249 176.307 176.094 -0.059 0.000 1.181 278 V CA -0.772 61.502 62.300 -0.042 0.000 1.047 278 V CB 2.516 34.304 31.823 -0.058 0.000 1.068 278 V HN 0.267 nan 8.190 nan 0.000 0.441 279 D N 0.200 120.548 120.400 -0.086 0.000 2.271 279 D HA 0.177 4.817 4.640 -0.000 0.000 0.206 279 D C 0.195 176.428 176.300 -0.110 0.000 0.967 279 D CA 1.289 55.233 54.000 -0.093 0.000 0.867 279 D CB 1.325 42.061 40.800 -0.107 0.000 0.960 279 D HN 0.357 nan 8.370 nan 0.000 0.509 280 V N 1.349 121.174 119.914 -0.149 0.000 2.668 280 V HA 0.194 4.314 4.120 -0.000 0.000 0.304 280 V C -0.517 175.484 176.094 -0.155 0.000 1.071 280 V CA -0.784 61.416 62.300 -0.167 0.000 0.894 280 V CB 3.006 34.664 31.823 -0.276 0.000 1.008 280 V HN -0.264 nan 8.190 nan 0.000 0.425 281 V N 5.677 125.529 119.914 -0.103 0.000 2.313 281 V HA 0.449 4.569 4.120 -0.000 0.000 0.278 281 V C 0.029 176.078 176.094 -0.076 0.000 1.017 281 V CA -0.260 61.990 62.300 -0.083 0.000 0.823 281 V CB 1.480 33.266 31.823 -0.062 0.000 1.010 281 V HN 0.870 nan 8.190 nan 0.000 0.443 282 M N 6.321 125.876 119.600 -0.074 0.000 2.061 282 M HA 0.477 4.957 4.480 -0.000 0.000 0.346 282 M C -0.565 175.711 176.300 -0.040 0.000 1.112 282 M CA -0.474 54.786 55.300 -0.067 0.000 1.021 282 M CB 0.959 33.530 32.600 -0.049 0.000 1.530 282 M HN 0.475 nan 8.290 nan 0.000 0.437 283 M N 3.901 123.472 119.600 -0.047 0.000 2.188 283 M HA 0.267 4.747 4.480 -0.000 0.000 0.354 283 M C 0.066 176.349 176.300 -0.029 0.000 1.342 283 M CA 0.104 55.388 55.300 -0.026 0.000 1.117 283 M CB 0.522 33.106 32.600 -0.027 0.000 1.670 283 M HN 0.756 nan 8.290 nan 0.000 0.466 284 A N 4.839 127.665 122.820 0.011 0.000 3.410 284 A HA 0.461 4.781 4.320 -0.000 0.000 0.276 284 A C 0.434 178.057 177.584 0.064 0.000 0.995 284 A CA -0.522 51.531 52.037 0.027 0.000 0.934 284 A CB -0.360 18.668 19.000 0.047 0.000 1.191 284 A HN 0.949 nan 8.150 nan 0.000 0.511 285 I N -2.974 117.631 120.570 0.058 0.000 3.941 285 I HA 0.646 4.816 4.170 -0.000 0.000 0.335 285 I C 0.522 176.691 176.117 0.087 0.000 1.402 285 I CA 0.216 61.565 61.300 0.082 0.000 1.112 285 I CB 0.464 38.507 38.000 0.071 0.000 1.043 285 I HN 0.543 nan 8.210 nan 0.000 0.395 286 G N 1.145 109.994 108.800 0.082 0.000 2.339 286 G HA2 0.193 4.153 3.960 -0.000 0.000 0.381 286 G HA3 0.193 4.153 3.960 -0.000 0.000 0.381 286 G C -1.467 173.473 174.900 0.068 0.000 1.400 286 G CA -1.177 43.976 45.100 0.088 0.000 1.002 286 G HN 0.261 nan 8.290 nan 0.000 0.633 287 R N -0.410 120.136 120.500 0.077 0.000 2.628 287 R HA 0.707 5.047 4.340 -0.000 0.000 0.288 287 R C 0.164 176.527 176.300 0.104 0.000 0.980 287 R CA -0.925 55.223 56.100 0.080 0.000 0.891 287 R CB 2.113 32.456 30.300 0.071 0.000 1.188 287 R HN 0.779 nan 8.270 nan 0.000 0.450 288 I N -0.852 119.801 120.570 0.139 0.000 2.603 288 I HA 0.634 4.804 4.170 -0.000 0.000 0.300 288 I C -2.593 173.617 176.117 0.155 0.000 1.017 288 I CA -3.290 58.091 61.300 0.135 0.000 1.098 288 I CB 2.063 40.141 38.000 0.130 0.000 1.279 288 I HN 0.277 nan 8.210 nan 0.000 0.437 289 P HA 0.141 nan 4.420 nan 0.000 0.266 289 P C -0.903 176.466 177.300 0.116 0.000 1.195 289 P CA -0.135 63.031 63.100 0.110 0.000 0.768 289 P CB 0.399 32.146 31.700 0.079 0.000 0.838 290 R N 1.604 122.172 120.500 0.114 0.000 2.825 290 R HA 0.167 4.507 4.340 -0.000 0.000 0.261 290 R C 0.949 177.281 176.300 0.053 0.000 1.341 290 R CA 0.126 56.277 56.100 0.085 0.000 1.353 290 R CB -0.237 30.116 30.300 0.089 0.000 1.191 290 R HN 0.587 nan 8.270 nan 0.000 0.590 291 T N -2.209 112.370 114.554 0.042 0.000 2.990 291 T HA -0.067 4.283 4.350 -0.000 0.000 0.249 291 T C 1.231 175.937 174.700 0.011 0.000 1.039 291 T CA 0.255 62.372 62.100 0.028 0.000 1.036 291 T CB -0.043 68.842 68.868 0.029 0.000 0.994 291 T HN 0.539 nan 8.240 nan 0.000 0.489 292 N N 2.578 121.278 118.700 0.000 0.000 2.096 292 N HA -0.211 4.529 4.740 -0.000 0.000 0.195 292 N C 0.977 176.465 175.510 -0.037 0.000 1.017 292 N CA 1.852 54.889 53.050 -0.022 0.000 0.870 292 N CB -0.473 37.990 38.487 -0.040 0.000 1.024 292 N HN 0.386 nan 8.380 nan 0.000 0.434 293 D N -0.109 120.274 120.400 -0.028 0.000 2.360 293 D HA 0.113 4.753 4.640 -0.000 0.000 0.210 293 D C 1.602 177.902 176.300 0.001 0.000 1.047 293 D CA 0.095 54.074 54.000 -0.034 0.000 0.854 293 D CB 0.248 41.035 40.800 -0.022 0.000 0.936 293 D HN 0.346 nan 8.370 nan 0.000 0.514 294 L N 0.461 121.690 121.223 0.010 0.000 2.395 294 L HA -0.057 4.283 4.340 -0.000 0.000 0.218 294 L C 0.210 177.078 176.870 -0.003 0.000 1.130 294 L CA 0.405 55.252 54.840 0.012 0.000 0.826 294 L CB -0.151 41.918 42.059 0.016 0.000 0.941 294 L HN -0.124 nan 8.230 nan 0.000 0.451 295 Q N -0.400 119.392 119.800 -0.013 0.000 2.460 295 Q HA -0.219 4.121 4.340 -0.000 0.000 0.311 295 Q C 0.944 176.935 176.000 -0.015 0.000 1.396 295 Q CA 0.594 56.386 55.803 -0.018 0.000 0.838 295 Q CB -2.170 26.555 28.738 -0.022 0.000 1.140 295 Q HN 0.504 nan 8.270 nan 0.000 0.415 296 L N -1.468 119.748 121.223 -0.011 0.000 2.201 296 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 296 L C 2.295 179.157 176.870 -0.013 0.000 1.105 296 L CA 1.327 56.161 54.840 -0.010 0.000 0.775 296 L CB -0.401 41.656 42.059 -0.005 0.000 0.913 296 L HN 0.547 nan 8.230 nan 0.000 0.440 297 G N 0.398 109.191 108.800 -0.013 0.000 2.517 297 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.222 297 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.222 297 G C 1.345 176.235 174.900 -0.016 0.000 1.109 297 G CA 0.931 46.022 45.100 -0.014 0.000 0.746 297 G HN 0.378 nan 8.290 nan 0.000 0.576 298 N N -0.078 118.611 118.700 -0.018 0.000 2.396 298 N HA -0.047 4.693 4.740 -0.000 0.000 0.180 298 N C 2.144 177.641 175.510 -0.021 0.000 1.028 298 N CA 1.468 54.506 53.050 -0.020 0.000 0.893 298 N CB 0.243 38.718 38.487 -0.021 0.000 0.967 298 N HN 0.468 nan 8.380 nan 0.000 0.440 299 V N -5.333 114.567 119.914 -0.023 0.000 3.562 299 V HA 0.542 4.662 4.120 -0.000 0.000 0.270 299 V C 1.095 177.173 176.094 -0.026 0.000 1.418 299 V CA 0.303 62.586 62.300 -0.027 0.000 1.033 299 V CB 0.167 31.970 31.823 -0.034 0.000 0.820 299 V HN 0.117 nan 8.190 nan 0.000 0.441 300 G N 1.013 109.800 108.800 -0.021 0.000 2.164 300 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.212 300 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.212 300 G C -0.087 174.803 174.900 -0.017 0.000 1.031 300 G CA -0.045 45.045 45.100 -0.017 0.000 0.730 300 G HN 0.724 nan 8.290 nan 0.000 0.501 301 V N 0.491 120.395 119.914 -0.017 0.000 2.521 301 V HA 0.283 4.403 4.120 -0.000 0.000 0.286 301 V C 1.020 177.111 176.094 -0.005 0.000 1.034 301 V CA 0.269 62.560 62.300 -0.014 0.000 1.045 301 V CB 1.280 33.095 31.823 -0.015 0.000 0.974 301 V HN 0.381 nan 8.190 nan 0.000 0.480 302 K N 4.622 125.021 120.400 -0.001 0.000 2.174 302 K HA 0.569 4.889 4.320 -0.000 0.000 0.275 302 K C -0.591 176.014 176.600 0.009 0.000 1.015 302 K CA -0.396 55.893 56.287 0.003 0.000 0.933 302 K CB 0.995 33.498 32.500 0.004 0.000 1.025 302 K HN 0.524 nan 8.250 nan 0.000 0.463 303 L N 1.790 123.019 121.223 0.010 0.000 2.375 303 L HA 0.338 4.678 4.340 -0.000 0.000 0.268 303 L C 0.831 177.709 176.870 0.014 0.000 1.058 303 L CA -0.884 53.964 54.840 0.014 0.000 0.803 303 L CB 1.448 43.516 42.059 0.016 0.000 1.212 303 L HN 0.756 nan 8.230 nan 0.000 0.451 304 T N -2.390 112.174 114.554 0.016 0.000 2.868 304 T HA 0.174 4.524 4.350 -0.000 0.000 0.292 304 T C -1.506 173.203 174.700 0.016 0.000 1.028 304 T CA -1.473 60.635 62.100 0.014 0.000 1.059 304 T CB 0.932 69.808 68.868 0.013 0.000 0.991 304 T HN 0.447 nan 8.240 nan 0.000 0.531 305 P HA -0.184 nan 4.420 nan 0.000 0.218 305 P C 1.327 178.638 177.300 0.020 0.000 1.152 305 P CA 1.290 64.399 63.100 0.015 0.000 0.857 305 P CB 0.092 31.800 31.700 0.013 0.000 0.787 306 K N -1.634 118.779 120.400 0.021 0.000 2.025 306 K HA 0.015 4.335 4.320 -0.000 0.000 0.207 306 K C 1.999 178.619 176.600 0.033 0.000 1.049 306 K CA 1.809 58.112 56.287 0.028 0.000 0.933 306 K CB -0.768 31.748 32.500 0.027 0.000 0.714 306 K HN 0.377 nan 8.250 nan 0.000 0.438 307 G N -0.537 108.282 108.800 0.031 0.000 2.935 307 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.213 307 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.213 307 G C 0.448 175.371 174.900 0.038 0.000 0.984 307 G CA -0.096 45.026 45.100 0.036 0.000 0.790 307 G HN 0.522 nan 8.290 nan 0.000 0.538 308 G N 0.181 109.003 108.800 0.036 0.000 2.539 308 G HA2 0.539 4.499 3.960 -0.000 0.000 0.258 308 G HA3 0.539 4.499 3.960 -0.000 0.000 0.258 308 G C 0.377 175.295 174.900 0.031 0.000 1.202 308 G CA 0.110 45.232 45.100 0.037 0.000 0.851 308 G HN 0.816 nan 8.290 nan 0.000 0.556 309 V N 1.503 121.438 119.914 0.035 0.000 2.493 309 V HA 0.002 4.122 4.120 -0.000 0.000 0.292 309 V C 0.905 177.017 176.094 0.029 0.000 1.016 309 V CA 0.198 62.517 62.300 0.032 0.000 1.097 309 V CB 0.834 32.680 31.823 0.039 0.000 0.947 309 V HN 0.818 nan 8.190 nan 0.000 0.479 310 Q N 3.906 123.720 119.800 0.023 0.000 2.311 310 Q HA 0.435 4.775 4.340 -0.000 0.000 0.272 310 Q C -0.581 175.438 176.000 0.032 0.000 1.012 310 Q CA -0.204 55.612 55.803 0.021 0.000 0.891 310 Q CB 1.150 29.899 28.738 0.017 0.000 1.201 310 Q HN 0.792 nan 8.270 nan 0.000 0.391 311 V N 0.560 120.493 119.914 0.031 0.000 3.007 311 V HA 0.525 4.645 4.120 -0.000 0.000 0.311 311 V C -0.774 175.349 176.094 0.048 0.000 1.120 311 V CA -1.143 61.190 62.300 0.054 0.000 0.980 311 V CB 1.847 33.712 31.823 0.070 0.000 1.033 311 V HN 0.928 nan 8.190 nan 0.000 0.429 312 D N 0.733 121.183 120.400 0.083 0.000 2.440 312 D HA 0.240 4.880 4.640 -0.000 0.000 0.269 312 D C 0.770 177.093 176.300 0.038 0.000 1.249 312 D CA -0.092 53.957 54.000 0.082 0.000 1.055 312 D CB 0.509 41.401 40.800 0.154 0.000 1.104 312 D HN 0.681 nan 8.370 nan 0.000 0.561 313 E N -1.472 118.698 120.200 -0.049 0.000 2.265 313 E HA -0.084 4.266 4.350 -0.000 0.000 0.196 313 E C 0.870 177.249 176.600 -0.369 0.000 0.996 313 E CA 0.747 56.994 56.400 -0.254 0.000 0.832 313 E CB -0.297 29.126 29.700 -0.462 0.000 0.756 313 E HN 0.404 nan 8.360 nan 0.000 0.491 314 F N -0.232 119.751 119.950 0.054 0.000 2.660 314 F HA 0.182 4.709 4.527 -0.000 0.000 0.302 314 F C 0.788 176.615 175.800 0.044 0.000 1.103 314 F CA -0.035 57.986 58.000 0.034 0.000 1.340 314 F CB 0.415 39.424 39.000 0.015 0.000 1.048 314 F HN -0.233 nan 8.300 nan 0.000 0.551 315 S N -0.456 115.346 115.700 0.171 0.000 3.171 315 S HA -0.215 4.255 4.470 -0.000 0.000 0.279 315 S C 0.386 175.133 174.600 0.245 0.000 1.294 315 S CA 0.267 58.568 58.200 0.167 0.000 1.077 315 S CB -1.414 61.866 63.200 0.134 0.000 1.298 315 S HN 0.481 nan 8.310 nan 0.000 0.666 316 R N 2.316 122.976 120.500 0.266 0.000 2.308 316 R HA 0.463 4.803 4.340 -0.000 0.000 0.305 316 R C 1.006 177.387 176.300 0.135 0.000 1.053 316 R CA 0.188 56.455 56.100 0.278 0.000 0.957 316 R CB 0.536 31.001 30.300 0.275 0.000 1.022 316 R HN 0.467 nan 8.270 nan 0.000 0.461 317 T N -1.330 113.262 114.554 0.063 0.000 2.732 317 T HA -0.028 4.322 4.350 -0.000 0.000 0.287 317 T C 1.176 175.879 174.700 0.005 0.000 0.993 317 T CA -0.257 61.854 62.100 0.019 0.000 0.966 317 T CB 0.455 69.311 68.868 -0.019 0.000 1.047 317 T HN 0.777 nan 8.240 nan 0.000 0.527 318 N N -0.846 117.853 118.700 -0.002 0.000 2.520 318 N HA -0.001 4.739 4.740 -0.000 0.000 0.185 318 N C -0.060 175.435 175.510 -0.026 0.000 1.068 318 N CA 0.034 53.080 53.050 -0.005 0.000 0.911 318 N CB -0.161 38.325 38.487 -0.003 0.000 0.961 318 N HN 0.339 nan 8.380 nan 0.000 0.446 319 V N 1.636 121.519 119.914 -0.052 0.000 2.383 319 V HA 0.198 4.318 4.120 -0.000 0.000 0.275 319 V C -1.262 174.758 176.094 -0.123 0.000 1.036 319 V CA -1.575 60.678 62.300 -0.077 0.000 0.889 319 V CB 1.387 33.161 31.823 -0.080 0.000 0.985 319 V HN -0.011 nan 8.190 nan 0.000 0.459 320 P HA -0.182 nan 4.420 nan 0.000 0.218 320 P C 0.828 178.036 177.300 -0.154 0.000 1.154 320 P CA 1.649 64.699 63.100 -0.084 0.000 0.872 320 P CB 0.086 31.751 31.700 -0.058 0.000 0.790 321 N N -1.782 116.768 118.700 -0.251 0.000 2.235 321 N HA 0.097 4.837 4.740 -0.000 0.000 0.231 321 N C -0.161 174.897 175.510 -0.752 0.000 1.177 321 N CA -0.022 52.815 53.050 -0.355 0.000 0.874 321 N CB 0.169 38.530 38.487 -0.209 0.000 1.097 321 N HN 0.179 nan 8.380 nan 0.000 0.518 322 I N 1.328 121.431 120.570 -0.778 0.000 2.406 322 I HA 0.371 4.540 4.170 -0.000 0.000 0.290 322 I C -1.075 174.664 176.117 -0.630 0.000 0.999 322 I CA -0.945 60.019 61.300 -0.560 0.000 1.124 322 I CB 0.977 38.841 38.000 -0.227 0.000 1.289 322 I HN -0.102 nan 8.210 nan 0.000 0.441 323 Y N 4.329 124.661 120.300 0.053 0.000 2.536 323 Y HA 0.825 5.375 4.550 0.000 0.000 0.347 323 Y C 0.016 175.946 175.900 0.051 0.000 1.000 323 Y CA -1.133 56.998 58.100 0.051 0.000 1.051 323 Y CB 1.761 40.249 38.460 0.047 0.000 1.259 323 Y HN 0.513 nan 8.280 nan 0.000 0.468 324 A N 2.442 125.388 122.820 0.210 0.000 2.401 324 A HA 0.944 5.264 4.320 -0.000 0.000 0.310 324 A C -1.075 176.587 177.584 0.130 0.000 1.075 324 A CA -0.711 51.410 52.037 0.140 0.000 0.746 324 A CB 1.029 20.086 19.000 0.094 0.000 1.277 324 A HN 0.844 nan 8.150 nan 0.000 0.425 325 I N -1.822 118.814 120.570 0.110 0.000 3.102 325 I HA 0.919 5.089 4.170 -0.000 0.000 0.310 325 I C 0.346 176.516 176.117 0.089 0.000 1.246 325 I CA -0.083 61.277 61.300 0.099 0.000 0.979 325 I CB 1.918 39.975 38.000 0.095 0.000 1.267 325 I HN 2.025 nan 8.210 nan 0.000 0.451 326 G N 2.749 111.602 108.800 0.088 0.000 2.584 326 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.229 326 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.229 326 G C -0.053 174.893 174.900 0.077 0.000 1.320 326 G CA 0.485 45.633 45.100 0.081 0.000 0.891 326 G HN 0.862 nan 8.290 nan 0.000 0.573 327 D N -0.247 120.197 120.400 0.074 0.000 2.311 327 D HA -0.051 4.589 4.640 -0.000 0.000 0.212 327 D C 2.241 178.586 176.300 0.074 0.000 0.972 327 D CA 1.009 55.052 54.000 0.072 0.000 0.887 327 D CB -0.053 40.796 40.800 0.082 0.000 0.915 327 D HN 0.473 nan 8.370 nan 0.000 0.497 328 I N 0.753 121.369 120.570 0.076 0.000 2.756 328 I HA -0.206 3.964 4.170 -0.000 0.000 0.262 328 I C 1.682 177.835 176.117 0.060 0.000 1.225 328 I CA 1.210 62.553 61.300 0.072 0.000 1.472 328 I CB 0.051 38.094 38.000 0.070 0.000 1.094 328 I HN 0.043 nan 8.210 nan 0.000 0.454 329 T N -3.337 111.251 114.554 0.056 0.000 3.081 329 T HA 0.006 4.356 4.350 -0.000 0.000 0.250 329 T C 0.987 175.701 174.700 0.024 0.000 1.100 329 T CA 0.451 62.574 62.100 0.039 0.000 1.038 329 T CB -0.203 68.687 68.868 0.036 0.000 0.962 329 T HN 0.413 nan 8.240 nan 0.000 0.516 330 D N 0.994 121.416 120.400 0.036 0.000 2.701 330 D HA -0.197 4.443 4.640 -0.000 0.000 0.235 330 D C 0.642 176.944 176.300 0.005 0.000 1.155 330 D CA 0.705 54.724 54.000 0.030 0.000 0.649 330 D CB -1.064 39.758 40.800 0.037 0.000 1.050 330 D HN 0.605 nan 8.370 nan 0.000 0.425 331 R N -0.418 120.073 120.500 -0.015 0.000 1.769 331 R HA 0.469 4.809 4.340 -0.000 0.000 0.141 331 R C 0.593 176.890 176.300 -0.006 0.000 1.855 331 R CA -0.216 55.844 56.100 -0.066 0.000 1.662 331 R CB -0.004 30.172 30.300 -0.206 0.000 1.064 331 R HN 0.201 nan 8.270 nan 0.000 0.499 332 L N 2.343 123.591 121.223 0.042 0.000 2.265 332 L HA 0.335 4.675 4.340 -0.000 0.000 0.288 332 L C -0.614 176.287 176.870 0.052 0.000 1.058 332 L CA -0.101 54.782 54.840 0.071 0.000 0.809 332 L CB 1.084 43.229 42.059 0.144 0.000 1.179 332 L HN 0.405 nan 8.230 nan 0.000 0.429 333 M N 7.268 126.875 119.600 0.011 0.000 2.664 333 M HA 0.368 4.848 4.480 -0.000 0.000 0.332 333 M C -1.139 175.132 176.300 -0.048 0.000 1.354 333 M CA 0.105 55.400 55.300 -0.009 0.000 1.399 333 M CB 0.087 32.677 32.600 -0.016 0.000 1.224 333 M HN 0.405 nan 8.290 nan 0.000 0.479 334 L N 0.069 121.289 121.223 -0.004 0.000 2.434 334 L HA 0.412 4.752 4.340 -0.000 0.000 0.260 334 L C 1.095 177.980 176.870 0.026 0.000 0.983 334 L CA -0.536 54.301 54.840 -0.003 0.000 0.820 334 L CB 2.352 44.416 42.059 0.008 0.000 1.361 334 L HN 0.324 nan 8.230 nan 0.000 0.410 335 T N 1.257 115.829 114.554 0.031 0.000 2.622 335 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 335 T C -1.172 173.550 174.700 0.038 0.000 1.047 335 T CA 1.943 64.066 62.100 0.038 0.000 1.159 335 T CB -0.449 68.443 68.868 0.040 0.000 0.863 335 T HN 0.457 nan 8.240 nan 0.000 0.422 336 P HA 0.102 nan 4.420 nan 0.000 0.229 336 P C 1.396 178.710 177.300 0.023 0.000 1.160 336 P CA 0.301 63.421 63.100 0.032 0.000 0.777 336 P CB -0.041 31.681 31.700 0.037 0.000 0.814 337 V N 0.366 120.294 119.914 0.024 0.000 2.307 337 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 337 V C 2.441 178.553 176.094 0.030 0.000 1.045 337 V CA 2.261 64.570 62.300 0.014 0.000 1.024 337 V CB -1.585 30.262 31.823 0.039 0.000 0.651 337 V HN 0.099 nan 8.190 nan 0.000 0.449 338 A N -0.052 122.796 122.820 0.046 0.000 1.908 338 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 338 A C 2.189 179.803 177.584 0.050 0.000 1.181 338 A CA 1.991 54.062 52.037 0.055 0.000 0.627 338 A CB -0.587 18.447 19.000 0.056 0.000 0.818 338 A HN 0.494 nan 8.150 nan 0.000 0.445 339 I N 0.013 120.608 120.570 0.042 0.000 2.163 339 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 339 I C 2.607 178.749 176.117 0.041 0.000 1.085 339 I CA 1.687 63.013 61.300 0.043 0.000 1.347 339 I CB -0.436 37.586 38.000 0.036 0.000 1.044 339 I HN 0.509 nan 8.210 nan 0.000 0.408 340 N N 0.966 119.680 118.700 0.023 0.000 2.084 340 N HA -0.214 4.526 4.740 -0.000 0.000 0.190 340 N C 1.741 177.258 175.510 0.012 0.000 1.030 340 N CA 1.597 54.652 53.050 0.008 0.000 0.849 340 N CB -0.019 38.452 38.487 -0.027 0.000 1.012 340 N HN 0.404 nan 8.380 nan 0.000 0.423 341 E N -0.182 120.027 120.200 0.014 0.000 2.070 341 E HA -0.170 4.179 4.350 -0.000 0.000 0.197 341 E C 1.971 178.599 176.600 0.046 0.000 1.004 341 E CA 1.221 57.642 56.400 0.034 0.000 0.805 341 E CB -0.411 29.329 29.700 0.068 0.000 0.744 341 E HN 0.497 nan 8.360 nan 0.000 0.451 342 G N 1.296 110.131 108.800 0.057 0.000 2.459 342 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 342 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 342 G C 1.718 176.662 174.900 0.074 0.000 1.183 342 G CA 1.226 46.368 45.100 0.069 0.000 0.776 342 G HN 0.375 nan 8.290 nan 0.000 0.552 343 A N 1.216 124.084 122.820 0.080 0.000 1.877 343 A HA 0.214 4.534 4.320 -0.000 0.000 0.216 343 A C 2.870 180.503 177.584 0.082 0.000 1.186 343 A CA 2.579 54.675 52.037 0.097 0.000 0.620 343 A CB -1.000 18.053 19.000 0.090 0.000 0.822 343 A HN 0.938 nan 8.150 nan 0.000 0.443 344 A N -0.420 122.433 122.820 0.055 0.000 1.908 344 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 344 A C 2.214 179.814 177.584 0.027 0.000 1.181 344 A CA 1.818 53.885 52.037 0.049 0.000 0.627 344 A CB -0.726 18.295 19.000 0.035 0.000 0.818 344 A HN 0.816 nan 8.150 nan 0.000 0.445 345 L N -0.241 120.980 121.223 -0.002 0.000 1.970 345 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 345 L C 2.389 179.154 176.870 -0.175 0.000 1.071 345 L CA 2.158 56.937 54.840 -0.102 0.000 0.751 345 L CB -0.487 41.498 42.059 -0.123 0.000 0.889 345 L HN 0.154 nan 8.230 nan 0.000 0.432 346 V N 0.235 120.112 119.914 -0.061 0.000 2.255 346 V HA -0.347 3.772 4.120 -0.000 0.000 0.247 346 V C 2.344 178.401 176.094 -0.063 0.000 1.051 346 V CA 2.178 64.485 62.300 0.012 0.000 1.018 346 V CB -0.862 31.077 31.823 0.193 0.000 0.641 346 V HN 0.535 nan 8.190 nan 0.000 0.445 347 D N -0.262 120.161 120.400 0.039 0.000 2.133 347 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 347 D C 2.281 178.515 176.300 -0.110 0.000 0.997 347 D CA 1.993 56.022 54.000 0.047 0.000 0.840 347 D CB -0.330 40.549 40.800 0.130 0.000 0.947 347 D HN 0.457 nan 8.370 nan 0.000 0.452 348 T N -0.021 114.456 114.554 -0.129 0.000 2.770 348 T HA -0.058 4.292 4.350 -0.000 0.000 0.263 348 T C 2.249 176.757 174.700 -0.320 0.000 1.039 348 T CA 0.688 62.684 62.100 -0.174 0.000 1.142 348 T CB -0.278 68.516 68.868 -0.122 0.000 0.868 348 T HN -0.031 nan 8.240 nan 0.000 0.435 349 V N 0.305 119.914 119.914 -0.508 0.000 2.379 349 V HA -0.026 4.094 4.120 -0.000 0.000 0.245 349 V C 1.787 177.359 176.094 -0.870 0.000 1.044 349 V CA 1.597 63.402 62.300 -0.824 0.000 1.036 349 V CB -0.496 30.538 31.823 -1.315 0.000 0.664 349 V HN 0.409 nan 8.190 nan 0.000 0.453 350 F N -0.280 119.372 119.950 -0.497 0.000 2.724 350 F HA 0.480 5.007 4.527 0.000 0.000 0.306 350 F C 1.457 176.766 175.800 -0.819 0.000 1.100 350 F CA -0.168 57.457 58.000 -0.624 0.000 1.255 350 F CB -0.501 38.071 39.000 -0.713 0.000 1.072 350 F HN 0.121 nan 8.300 nan 0.000 0.589 351 G N -0.202 108.253 108.800 -0.575 0.000 2.557 351 G HA2 0.122 4.082 3.960 -0.000 0.000 0.292 351 G HA3 0.122 4.082 3.960 -0.000 0.000 0.292 351 G C 0.543 175.385 174.900 -0.098 0.000 1.237 351 G CA -0.438 44.516 45.100 -0.243 0.000 0.978 351 G HN 0.043 nan 8.290 nan 0.000 0.498 352 N N -0.491 118.210 118.700 0.001 0.000 2.322 352 N HA 0.060 4.800 4.740 -0.000 0.000 0.194 352 N C -0.237 175.262 175.510 -0.019 0.000 1.126 352 N CA 0.410 53.456 53.050 -0.008 0.000 0.845 352 N CB 0.375 38.876 38.487 0.023 0.000 0.976 352 N HN 0.619 nan 8.380 nan 0.000 0.475 353 K N 0.009 120.396 120.400 -0.021 0.000 2.695 353 K HA 0.437 4.757 4.320 -0.000 0.000 0.255 353 K C -3.307 173.285 176.600 -0.012 0.000 1.016 353 K CA -1.463 54.819 56.287 -0.009 0.000 0.928 353 K CB 1.921 34.436 32.500 0.024 0.000 1.235 353 K HN -0.281 nan 8.250 nan 0.000 0.467 354 P HA 0.144 nan 4.420 nan 0.000 0.269 354 P C -1.064 176.316 177.300 0.134 0.000 1.209 354 P CA -0.401 62.683 63.100 -0.027 0.000 0.776 354 P CB 0.505 32.075 31.700 -0.216 0.000 0.876 355 R N 1.317 121.958 120.500 0.235 0.000 2.564 355 R HA 0.368 4.708 4.340 -0.000 0.000 0.284 355 R C -0.625 175.807 176.300 0.220 0.000 1.031 355 R CA -0.755 55.470 56.100 0.208 0.000 0.904 355 R CB 1.690 32.055 30.300 0.107 0.000 1.199 355 R HN 0.399 nan 8.270 nan 0.000 0.443 356 K N 0.705 121.138 120.400 0.054 0.000 2.259 356 K HA 0.515 4.835 4.320 -0.000 0.000 0.252 356 K C -0.763 175.773 176.600 -0.107 0.000 0.936 356 K CA -0.828 55.362 56.287 -0.162 0.000 0.810 356 K CB 1.891 34.073 32.500 -0.530 0.000 1.143 356 K HN 0.263 nan 8.250 nan 0.000 0.427 357 T N 2.315 116.797 114.554 -0.121 0.000 2.867 357 T HA -0.059 4.291 4.350 -0.000 0.000 0.297 357 T C -0.413 174.126 174.700 -0.268 0.000 0.989 357 T CA 0.286 62.268 62.100 -0.197 0.000 1.159 357 T CB 0.222 68.927 68.868 -0.271 0.000 0.928 357 T HN 0.561 nan 8.240 nan 0.000 0.538 358 D N 1.842 122.116 120.400 -0.210 0.000 2.352 358 D HA 0.018 4.658 4.640 -0.000 0.000 0.245 358 D C 1.113 177.278 176.300 -0.224 0.000 1.224 358 D CA -0.257 53.650 54.000 -0.156 0.000 0.879 358 D CB 0.337 41.098 40.800 -0.064 0.000 1.057 358 D HN 0.556 nan 8.370 nan 0.000 0.491 359 H N 2.042 121.101 119.070 -0.018 0.000 2.555 359 H HA 0.017 4.573 4.556 0.000 0.000 0.269 359 H C 0.735 176.062 175.328 -0.001 0.000 0.988 359 H CA 0.621 56.664 56.048 -0.009 0.000 1.178 359 H CB 0.107 29.861 29.762 -0.013 0.000 1.373 359 H HN 0.416 nan 8.280 nan 0.000 0.588 360 T N -1.834 112.763 114.554 0.072 0.000 2.927 360 T HA 0.347 4.697 4.350 -0.000 0.000 0.281 360 T C 0.555 175.273 174.700 0.031 0.000 0.998 360 T CA -0.893 61.241 62.100 0.057 0.000 1.019 360 T CB 1.839 70.740 68.868 0.056 0.000 1.061 360 T HN 0.292 nan 8.240 nan 0.000 0.518 361 R N -0.991 119.527 120.500 0.029 0.000 3.525 361 R HA -0.091 4.249 4.340 -0.000 0.000 0.276 361 R C -0.769 175.537 176.300 0.012 0.000 1.116 361 R CA 0.201 56.311 56.100 0.017 0.000 0.745 361 R CB -2.541 27.770 30.300 0.020 0.000 1.185 361 R HN 0.515 nan 8.270 nan 0.000 0.454 362 V N 1.316 121.239 119.914 0.015 0.000 2.364 362 V HA 0.472 4.592 4.120 -0.000 0.000 0.272 362 V C 1.022 177.130 176.094 0.024 0.000 1.036 362 V CA -0.048 62.262 62.300 0.016 0.000 0.880 362 V CB 1.389 33.224 31.823 0.021 0.000 0.991 362 V HN 0.425 nan 8.190 nan 0.000 0.460 363 A N 5.084 127.920 122.820 0.027 0.000 2.462 363 A HA 0.683 5.003 4.320 -0.000 0.000 0.243 363 A C 0.496 178.115 177.584 0.059 0.000 1.076 363 A CA 0.577 52.635 52.037 0.035 0.000 0.773 363 A CB 0.406 19.429 19.000 0.038 0.000 1.010 363 A HN 1.256 nan 8.150 nan 0.000 0.493 364 S N 0.280 116.026 115.700 0.076 0.000 2.636 364 S HA 0.840 5.310 4.470 -0.000 0.000 0.268 364 S C -0.736 173.933 174.600 0.114 0.000 1.159 364 S CA -0.056 58.214 58.200 0.117 0.000 0.815 364 S CB 1.014 64.308 63.200 0.156 0.000 1.130 364 S HN 2.432 nan 8.310 nan 0.000 0.471 365 A N 0.297 123.181 122.820 0.106 0.000 2.556 365 A HA 0.827 5.147 4.320 -0.000 0.000 0.294 365 A C -1.424 176.110 177.584 -0.083 0.000 1.091 365 A CA -0.722 51.235 52.037 -0.134 0.000 0.704 365 A CB 1.714 20.353 19.000 -0.602 0.000 1.300 365 A HN 1.406 nan 8.150 nan 0.000 0.406 366 V N 0.948 120.696 119.914 -0.276 0.000 2.409 366 V HA 0.363 4.483 4.120 -0.000 0.000 0.291 366 V C -0.931 174.929 176.094 -0.390 0.000 1.020 366 V CA -0.102 62.054 62.300 -0.239 0.000 0.848 366 V CB 0.960 32.546 31.823 -0.394 0.000 0.990 366 V HN 0.720 nan 8.190 nan 0.000 0.430 367 F N 2.959 122.924 119.950 0.024 0.000 2.833 367 F HA 0.224 4.751 4.527 -0.000 0.000 0.327 367 F C 1.457 177.220 175.800 -0.062 0.000 1.184 367 F CA -0.302 57.687 58.000 -0.018 0.000 1.328 367 F CB -0.239 38.754 39.000 -0.013 0.000 1.440 367 F HN 0.540 nan 8.300 nan 0.000 0.569 368 S N -0.346 115.342 115.700 -0.021 0.000 2.614 368 S HA 0.568 5.038 4.470 -0.000 0.000 0.265 368 S C -0.197 174.381 174.600 -0.037 0.000 1.303 368 S CA -0.722 57.445 58.200 -0.054 0.000 1.000 368 S CB 1.482 64.603 63.200 -0.132 0.000 0.935 368 S HN 0.277 nan 8.310 nan 0.000 0.551 369 I N 2.922 123.468 120.570 -0.040 0.000 2.347 369 I HA 0.329 4.499 4.170 -0.000 0.000 0.283 369 I C -2.082 174.017 176.117 -0.030 0.000 1.058 369 I CA -2.000 59.280 61.300 -0.032 0.000 1.202 369 I CB 1.248 39.230 38.000 -0.029 0.000 1.386 369 I HN 0.536 nan 8.210 nan 0.000 0.475 370 P HA 0.463 nan 4.420 nan 0.000 0.281 370 P C -2.838 174.416 177.300 -0.077 0.000 1.264 370 P CA -2.176 60.897 63.100 -0.045 0.000 0.824 370 P CB 0.813 32.485 31.700 -0.047 0.000 1.092 371 P HA 0.379 nan 4.420 nan 0.000 0.281 371 P C -0.276 176.924 177.300 -0.166 0.000 1.249 371 P CA -0.280 62.747 63.100 -0.122 0.000 0.810 371 P CB 0.938 32.589 31.700 -0.082 0.000 1.008 372 I N 0.797 121.239 120.570 -0.215 0.000 2.488 372 I HA 0.575 4.745 4.170 -0.000 0.000 0.299 372 I C 0.931 176.969 176.117 -0.131 0.000 0.984 372 I CA -0.328 60.869 61.300 -0.172 0.000 1.250 372 I CB 1.561 39.447 38.000 -0.191 0.000 1.389 372 I HN 0.377 nan 8.210 nan 0.000 0.488 373 G N 2.308 111.079 108.800 -0.049 0.000 2.723 373 G HA2 0.551 4.511 3.960 -0.000 0.000 0.295 373 G HA3 0.551 4.511 3.960 -0.000 0.000 0.295 373 G C -1.158 173.771 174.900 0.048 0.000 1.464 373 G CA -0.274 44.824 45.100 -0.003 0.000 1.012 373 G HN 0.489 nan 8.290 nan 0.000 0.522 374 T N -0.144 114.452 114.554 0.072 0.000 2.909 374 T HA 0.578 4.928 4.350 -0.000 0.000 0.299 374 T C -1.368 173.317 174.700 -0.025 0.000 1.073 374 T CA -0.502 61.624 62.100 0.045 0.000 0.999 374 T CB 1.600 70.591 68.868 0.205 0.000 1.098 374 T HN 0.966 nan 8.240 nan 0.000 0.477 375 C N 3.740 122.957 119.300 -0.138 0.000 2.607 375 C HA 0.869 5.329 4.460 -0.000 0.000 0.350 375 C C 0.661 175.564 174.990 -0.145 0.000 1.101 375 C CA 1.085 60.048 59.018 -0.091 0.000 1.282 375 C CB -0.202 27.509 27.740 -0.049 0.000 1.825 375 C HN 1.593 nan 8.230 nan 0.000 0.460 376 G N 4.693 113.459 108.800 -0.058 0.000 2.472 376 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.205 376 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.205 376 G C -1.161 173.766 174.900 0.046 0.000 1.270 376 G CA -0.362 44.726 45.100 -0.019 0.000 0.974 376 G HN 1.001 nan 8.290 nan 0.000 0.542 377 L N 1.346 122.617 121.223 0.079 0.000 2.350 377 L HA 0.579 4.919 4.340 -0.000 0.000 0.275 377 L C 1.464 178.466 176.870 0.220 0.000 1.099 377 L CA -0.809 54.102 54.840 0.118 0.000 0.808 377 L CB 1.073 43.194 42.059 0.104 0.000 1.149 377 L HN 0.720 nan 8.230 nan 0.000 0.442 378 I N -0.898 119.732 120.570 0.100 0.000 2.945 378 I HA 0.117 4.287 4.170 -0.000 0.000 0.292 378 I C 1.324 177.424 176.117 -0.027 0.000 1.093 378 I CA -0.545 60.727 61.300 -0.047 0.000 1.336 378 I CB 0.729 38.622 38.000 -0.179 0.000 1.435 378 I HN 0.823 nan 8.210 nan 0.000 0.593 379 E N 2.716 122.874 120.200 -0.070 0.000 2.077 379 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 379 E C 1.393 177.818 176.600 -0.291 0.000 0.989 379 E CA 1.492 57.818 56.400 -0.122 0.000 0.800 379 E CB -0.446 29.227 29.700 -0.045 0.000 0.746 379 E HN 0.845 nan 8.360 nan 0.000 0.452 380 E N 1.649 121.699 120.200 -0.251 0.000 2.204 380 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 380 E C 2.236 178.749 176.600 -0.145 0.000 0.989 380 E CA 1.106 57.349 56.400 -0.261 0.000 0.824 380 E CB -0.275 29.343 29.700 -0.136 0.000 0.756 380 E HN 0.277 nan 8.360 nan 0.000 0.477 381 V N 1.871 121.737 119.914 -0.080 0.000 2.407 381 V HA -0.106 4.014 4.120 -0.000 0.000 0.245 381 V C 2.692 178.801 176.094 0.025 0.000 1.041 381 V CA 1.481 63.767 62.300 -0.022 0.000 1.040 381 V CB -0.655 31.168 31.823 -0.001 0.000 0.671 381 V HN 0.396 nan 8.190 nan 0.000 0.455 382 A N 0.455 123.309 122.820 0.058 0.000 1.892 382 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 382 A C 2.381 180.082 177.584 0.196 0.000 1.188 382 A CA 2.340 54.497 52.037 0.200 0.000 0.631 382 A CB -0.884 18.191 19.000 0.125 0.000 0.822 382 A HN 0.591 nan 8.150 nan 0.000 0.447 383 A N -0.677 122.141 122.820 -0.003 0.000 2.070 383 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 383 A C 2.004 179.602 177.584 0.024 0.000 1.159 383 A CA 1.670 53.697 52.037 -0.016 0.000 0.656 383 A CB -0.364 18.451 19.000 -0.309 0.000 0.800 383 A HN 0.576 nan 8.150 nan 0.000 0.453 384 K N -0.675 119.722 120.400 -0.006 0.000 2.366 384 K HA -0.019 4.301 4.320 -0.000 0.000 0.198 384 K C 1.109 177.680 176.600 -0.048 0.000 1.044 384 K CA 1.172 57.451 56.287 -0.013 0.000 0.973 384 K CB 0.069 32.556 32.500 -0.022 0.000 0.767 384 K HN 0.582 nan 8.250 nan 0.000 0.475 385 E N -0.927 119.229 120.200 -0.073 0.000 2.511 385 E HA 0.129 4.479 4.350 -0.000 0.000 0.209 385 E C -0.805 175.410 176.600 -0.641 0.000 0.986 385 E CA -0.094 56.102 56.400 -0.340 0.000 0.974 385 E CB 0.600 30.037 29.700 -0.438 0.000 1.030 385 E HN 0.005 nan 8.360 nan 0.000 0.490 386 F N 0.311 120.281 119.950 0.033 0.000 2.562 386 F HA 0.209 4.736 4.527 0.000 0.000 0.319 386 F C 1.137 176.978 175.800 0.068 0.000 1.154 386 F CA -0.867 57.164 58.000 0.052 0.000 0.931 386 F CB 1.631 40.669 39.000 0.063 0.000 1.198 386 F HN -0.197 nan 8.300 nan 0.000 0.444 387 E N 2.403 122.731 120.200 0.214 0.000 2.114 387 E HA -0.181 4.169 4.350 -0.000 0.000 0.199 387 E C -0.136 176.585 176.600 0.201 0.000 1.008 387 E CA 1.444 57.943 56.400 0.165 0.000 0.810 387 E CB 0.287 30.061 29.700 0.123 0.000 0.739 387 E HN 0.484 nan 8.360 nan 0.000 0.456 388 K N 0.490 121.035 120.400 0.242 0.000 2.450 388 K HA 0.386 4.706 4.320 -0.000 0.000 0.257 388 K C -1.485 175.277 176.600 0.270 0.000 0.953 388 K CA -0.498 55.939 56.287 0.250 0.000 0.844 388 K CB 2.679 35.325 32.500 0.243 0.000 1.103 388 K HN -0.142 nan 8.250 nan 0.000 0.429 389 V N 2.178 122.254 119.914 0.271 0.000 2.487 389 V HA 0.536 4.656 4.120 -0.000 0.000 0.298 389 V C -0.501 175.687 176.094 0.157 0.000 1.028 389 V CA -0.850 61.575 62.300 0.208 0.000 0.860 389 V CB 1.610 33.564 31.823 0.219 0.000 0.991 389 V HN 0.888 nan 8.190 nan 0.000 0.427 390 A N 4.673 127.507 122.820 0.022 0.000 2.324 390 A HA 0.894 5.214 4.320 -0.000 0.000 0.330 390 A C -0.811 176.552 177.584 -0.368 0.000 1.165 390 A CA -0.557 51.280 52.037 -0.332 0.000 0.813 390 A CB 1.584 20.368 19.000 -0.360 0.000 1.197 390 A HN 0.667 nan 8.150 nan 0.000 0.484 391 V N 2.494 121.977 119.914 -0.718 0.000 2.448 391 V HA 0.357 4.477 4.120 -0.000 0.000 0.295 391 V C -1.369 174.265 176.094 -0.767 0.000 1.025 391 V CA -0.306 61.613 62.300 -0.634 0.000 0.859 391 V CB 1.021 32.309 31.823 -0.891 0.000 0.988 391 V HN 0.774 nan 8.190 nan 0.000 0.431 392 Y N 4.920 125.040 120.300 -0.300 0.000 2.331 392 Y HA 0.683 5.233 4.550 -0.000 0.000 0.338 392 Y C 0.171 175.986 175.900 -0.140 0.000 0.976 392 Y CA -0.475 57.495 58.100 -0.216 0.000 1.137 392 Y CB 1.731 40.096 38.460 -0.157 0.000 1.172 392 Y HN 0.575 nan 8.280 nan 0.000 0.478 393 M N 3.235 122.840 119.600 0.009 0.000 2.326 393 M HA 0.607 5.087 4.480 -0.000 0.000 0.306 393 M C -1.370 174.975 176.300 0.074 0.000 1.054 393 M CA -0.342 54.990 55.300 0.052 0.000 0.922 393 M CB 1.628 34.267 32.600 0.065 0.000 1.632 393 M HN 0.561 nan 8.290 nan 0.000 0.436 394 S N 2.557 118.319 115.700 0.103 0.000 2.594 394 S HA 0.682 5.152 4.470 -0.000 0.000 0.296 394 S C -1.585 173.153 174.600 0.230 0.000 1.124 394 S CA -0.448 57.817 58.200 0.109 0.000 1.011 394 S CB 1.560 64.785 63.200 0.041 0.000 1.016 394 S HN 0.739 nan 8.310 nan 0.000 0.485 395 S N 4.875 120.740 115.700 0.275 0.000 2.680 395 S HA 0.723 5.193 4.470 -0.000 0.000 0.262 395 S C -1.457 173.397 174.600 0.422 0.000 1.138 395 S CA -0.626 57.781 58.200 0.346 0.000 1.072 395 S CB 0.040 63.353 63.200 0.188 0.000 1.097 395 S HN 0.879 nan 8.310 nan 0.000 0.468 396 F N 0.483 120.510 119.950 0.127 0.000 2.665 396 F HA 0.627 5.154 4.527 -0.000 0.000 0.308 396 F C -0.582 175.293 175.800 0.124 0.000 1.112 396 F CA -0.955 57.109 58.000 0.106 0.000 0.972 396 F CB 0.491 39.549 39.000 0.096 0.000 1.295 396 F HN 0.209 nan 8.300 nan 0.000 0.440 397 T N 4.405 118.843 114.554 -0.193 0.000 2.853 397 T HA 0.346 4.696 4.350 -0.000 0.000 0.298 397 T C -2.487 171.909 174.700 -0.507 0.000 0.978 397 T CA -0.361 61.566 62.100 -0.288 0.000 1.152 397 T CB 0.391 69.204 68.868 -0.092 0.000 0.914 397 T HN 0.359 nan 8.240 nan 0.000 0.539 398 P HA 0.157 nan 4.420 nan 0.000 0.271 398 P C 0.926 178.175 177.300 -0.086 0.000 1.216 398 P CA -0.555 62.331 63.100 -0.358 0.000 0.776 398 P CB 0.570 32.141 31.700 -0.214 0.000 0.881 399 L N 4.106 125.334 121.223 0.008 0.000 2.081 399 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 399 L C 2.115 178.998 176.870 0.021 0.000 1.080 399 L CA 1.959 56.821 54.840 0.037 0.000 0.754 399 L CB -0.952 41.148 42.059 0.069 0.000 0.893 399 L HN 0.444 nan 8.230 nan 0.000 0.433 400 M N -2.512 117.088 119.600 0.000 0.000 2.267 400 M HA -0.209 4.271 4.480 -0.000 0.000 0.263 400 M C 1.440 177.734 176.300 -0.010 0.000 1.063 400 M CA 1.831 57.163 55.300 0.053 0.000 1.090 400 M CB -0.702 31.853 32.600 -0.073 0.000 1.392 400 M HN 0.202 nan 8.290 nan 0.000 0.422 401 H N 0.707 119.800 119.070 0.038 0.000 2.539 401 H HA 0.221 4.777 4.556 -0.000 0.000 0.269 401 H C 0.795 176.091 175.328 -0.055 0.000 0.980 401 H CA 0.349 56.385 56.048 -0.020 0.000 1.152 401 H CB -0.141 29.558 29.762 -0.105 0.000 1.407 401 H HN 0.605 nan 8.280 nan 0.000 0.564 402 N N 0.234 118.958 118.700 0.040 0.000 2.422 402 N HA 0.022 4.762 4.740 -0.000 0.000 0.181 402 N C 1.642 177.119 175.510 -0.054 0.000 1.080 402 N CA 0.268 53.316 53.050 -0.003 0.000 0.893 402 N CB 0.931 39.416 38.487 -0.002 0.000 0.973 402 N HN 0.411 nan 8.380 nan 0.000 0.456 403 I N 0.276 120.780 120.570 -0.109 0.000 2.729 403 I HA -0.098 4.072 4.170 -0.000 0.000 0.256 403 I C 2.262 178.216 176.117 -0.271 0.000 1.115 403 I CA 0.490 61.610 61.300 -0.301 0.000 1.446 403 I CB -0.283 37.349 38.000 -0.613 0.000 1.176 403 I HN 0.038 nan 8.210 nan 0.000 0.446 404 S N 0.987 116.647 115.700 -0.067 0.000 2.419 404 S HA -0.085 4.385 4.470 -0.000 0.000 0.233 404 S C 1.810 176.482 174.600 0.120 0.000 1.016 404 S CA 1.275 59.588 58.200 0.187 0.000 0.974 404 S CB -0.251 63.207 63.200 0.429 0.000 0.786 404 S HN 0.668 nan 8.310 nan 0.000 0.492 405 G N -0.043 108.793 108.800 0.059 0.000 2.176 405 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.232 405 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.232 405 G C 0.324 175.229 174.900 0.008 0.000 0.986 405 G CA 0.145 45.266 45.100 0.034 0.000 0.643 405 G HN 0.741 nan 8.290 nan 0.000 0.522 406 S N 0.877 116.543 115.700 -0.058 0.000 3.812 406 S HA 0.347 4.817 4.470 -0.000 0.000 0.195 406 S C 1.457 175.759 174.600 -0.496 0.000 1.460 406 S CA 0.177 58.123 58.200 -0.424 0.000 1.052 406 S CB 0.870 63.662 63.200 -0.679 0.000 1.385 406 S HN 0.450 nan 8.310 nan 0.000 0.490 407 K N 1.173 121.456 120.400 -0.196 0.000 2.160 407 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 407 K C 1.450 177.974 176.600 -0.126 0.000 1.047 407 K CA 1.430 57.655 56.287 -0.102 0.000 0.930 407 K CB -0.370 32.132 32.500 0.003 0.000 0.720 407 K HN 0.808 nan 8.250 nan 0.000 0.450 408 Y N -0.496 119.769 120.300 -0.059 0.000 2.680 408 Y HA 0.048 4.598 4.550 -0.000 0.000 0.303 408 Y C -0.108 175.729 175.900 -0.104 0.000 1.166 408 Y CA 0.163 58.222 58.100 -0.068 0.000 1.344 408 Y CB -0.374 38.047 38.460 -0.064 0.000 1.002 408 Y HN -0.231 nan 8.280 nan 0.000 0.537 409 K N 2.772 122.879 120.400 -0.488 0.000 2.502 409 K HA 0.111 4.431 4.320 -0.000 0.000 0.244 409 K C -0.310 176.179 176.600 -0.184 0.000 1.249 409 K CA -0.127 55.919 56.287 -0.401 0.000 1.193 409 K CB 0.108 32.125 32.500 -0.805 0.000 1.674 409 K HN 0.275 nan 8.250 nan 0.000 0.302 410 K N 1.423 121.773 120.400 -0.083 0.000 2.416 410 K HA 0.021 4.341 4.320 -0.000 0.000 0.283 410 K C -0.114 176.477 176.600 -0.014 0.000 1.037 410 K CA 0.005 56.262 56.287 -0.049 0.000 0.995 410 K CB 0.381 32.887 32.500 0.011 0.000 0.938 410 K HN 0.188 nan 8.250 nan 0.000 0.475 411 F N 3.405 123.267 119.950 -0.147 0.000 2.420 411 F HA 0.116 4.644 4.527 0.000 0.000 0.352 411 F C -0.235 175.640 175.800 0.126 0.000 1.108 411 F CA -0.560 57.430 58.000 -0.016 0.000 1.162 411 F CB 0.766 39.760 39.000 -0.011 0.000 1.118 411 F HN 0.100 nan 8.300 nan 0.000 0.510 412 V N 5.817 125.576 119.914 -0.259 0.000 2.398 412 V HA 0.735 4.855 4.120 -0.000 0.000 0.286 412 V C -0.274 175.803 176.094 -0.028 0.000 1.026 412 V CA -0.722 61.560 62.300 -0.030 0.000 0.868 412 V CB 1.138 32.913 31.823 -0.080 0.000 0.982 412 V HN 0.915 nan 8.190 nan 0.000 0.443 413 A N 5.284 128.226 122.820 0.204 0.000 2.357 413 A HA 0.783 5.103 4.320 -0.000 0.000 0.295 413 A C -0.517 177.140 177.584 0.121 0.000 1.121 413 A CA -0.733 51.424 52.037 0.199 0.000 0.742 413 A CB 0.934 20.125 19.000 0.319 0.000 1.181 413 A HN 0.769 nan 8.150 nan 0.000 0.454 414 K N 2.518 122.974 120.400 0.093 0.000 2.426 414 K HA 0.639 4.959 4.320 -0.000 0.000 0.254 414 K C -1.383 175.249 176.600 0.054 0.000 0.936 414 K CA -0.257 56.084 56.287 0.091 0.000 0.801 414 K CB 2.263 34.845 32.500 0.136 0.000 1.139 414 K HN 0.670 nan 8.250 nan 0.000 0.424 415 I N 2.754 123.338 120.570 0.024 0.000 2.433 415 I HA 0.322 4.492 4.170 -0.000 0.000 0.292 415 I C -0.558 175.598 176.117 0.064 0.000 1.001 415 I CA -1.250 60.020 61.300 -0.050 0.000 1.119 415 I CB 2.001 39.866 38.000 -0.225 0.000 1.289 415 I HN 0.169 nan 8.210 nan 0.000 0.438 416 V N 4.692 124.624 119.914 0.031 0.000 2.417 416 V HA 0.511 4.631 4.120 -0.000 0.000 0.291 416 V C 0.136 176.247 176.094 0.028 0.000 1.024 416 V CA -0.360 61.970 62.300 0.050 0.000 0.861 416 V CB 1.908 33.779 31.823 0.079 0.000 0.985 416 V HN 0.889 nan 8.190 nan 0.000 0.436 417 T N 0.824 115.413 114.554 0.058 0.000 2.908 417 T HA 0.455 4.805 4.350 -0.000 0.000 0.290 417 T C -0.397 174.281 174.700 -0.036 0.000 1.034 417 T CA -0.867 61.258 62.100 0.040 0.000 1.010 417 T CB 1.708 70.686 68.868 0.182 0.000 1.068 417 T HN 0.436 nan 8.240 nan 0.000 0.481 418 N N 0.412 119.011 118.700 -0.168 0.000 2.401 418 N HA 0.104 4.844 4.740 -0.000 0.000 0.255 418 N C 0.600 176.125 175.510 0.026 0.000 1.110 418 N CA -0.069 52.846 53.050 -0.226 0.000 0.949 418 N CB 0.595 38.770 38.487 -0.520 0.000 1.110 418 N HN 0.855 nan 8.380 nan 0.000 0.490 419 H N 2.325 121.413 119.070 0.030 0.000 2.462 419 H HA 0.078 4.634 4.556 -0.000 0.000 0.292 419 H C 1.348 176.720 175.328 0.074 0.000 1.049 419 H CA 1.552 57.657 56.048 0.095 0.000 1.334 419 H CB 0.424 30.289 29.762 0.172 0.000 1.404 419 H HN 0.542 nan 8.280 nan 0.000 0.544 420 S N 0.099 115.820 115.700 0.035 0.000 2.368 420 S HA -0.181 4.289 4.470 -0.000 0.000 0.226 420 S C 1.358 175.914 174.600 -0.072 0.000 1.044 420 S CA 1.781 59.967 58.200 -0.023 0.000 1.062 420 S CB -0.163 63.069 63.200 0.054 0.000 0.931 420 S HN 0.855 nan 8.310 nan 0.000 0.440 421 D N -1.734 118.641 120.400 -0.040 0.000 2.500 421 D HA 0.284 4.924 4.640 -0.000 0.000 0.217 421 D C 1.109 177.396 176.300 -0.022 0.000 1.159 421 D CA 0.745 54.727 54.000 -0.030 0.000 0.828 421 D CB -0.175 40.622 40.800 -0.004 0.000 1.039 421 D HN 0.434 nan 8.370 nan 0.000 0.512 422 G N 0.417 109.209 108.800 -0.013 0.000 2.234 422 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.260 422 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.260 422 G C 0.537 175.449 174.900 0.020 0.000 0.987 422 G CA 0.441 45.556 45.100 0.024 0.000 0.625 422 G HN 0.441 nan 8.290 nan 0.000 0.532 423 T N 1.706 116.252 114.554 -0.014 0.000 2.866 423 T HA 0.340 4.690 4.350 -0.000 0.000 0.293 423 T C 0.885 175.569 174.700 -0.026 0.000 1.005 423 T CA 0.331 62.418 62.100 -0.021 0.000 1.162 423 T CB 1.560 70.397 68.868 -0.052 0.000 0.968 423 T HN 0.562 nan 8.240 nan 0.000 0.530 424 V N 6.393 126.323 119.914 0.027 0.000 2.446 424 V HA 0.069 4.189 4.120 -0.000 0.000 0.276 424 V C 1.305 177.393 176.094 -0.010 0.000 1.030 424 V CA 0.225 62.540 62.300 0.026 0.000 1.033 424 V CB 0.370 32.270 31.823 0.128 0.000 0.993 424 V HN 0.828 nan 8.190 nan 0.000 0.477 425 L N 4.030 125.226 121.223 -0.044 0.000 2.408 425 L HA 0.474 4.814 4.340 -0.000 0.000 0.215 425 L C 1.046 177.906 176.870 -0.018 0.000 1.081 425 L CA 0.734 55.549 54.840 -0.042 0.000 0.840 425 L CB 0.271 42.283 42.059 -0.078 0.000 1.002 425 L HN 0.805 nan 8.230 nan 0.000 0.468 426 G N -0.568 108.201 108.800 -0.052 0.000 2.691 426 G HA2 0.504 4.464 3.960 -0.000 0.000 0.298 426 G HA3 0.504 4.464 3.960 -0.000 0.000 0.298 426 G C -1.926 172.786 174.900 -0.314 0.000 1.471 426 G CA -0.339 44.668 45.100 -0.155 0.000 0.912 426 G HN -0.292 nan 8.290 nan 0.000 0.553 427 V N 2.993 122.589 119.914 -0.530 0.000 2.588 427 V HA 0.609 4.729 4.120 -0.000 0.000 0.304 427 V C -0.947 174.754 176.094 -0.656 0.000 1.042 427 V CA -0.919 61.110 62.300 -0.452 0.000 0.877 427 V CB 1.842 33.514 31.823 -0.251 0.000 0.996 427 V HN 0.801 nan 8.190 nan 0.000 0.425 428 H N 5.447 124.508 119.070 -0.015 0.000 2.609 428 H HA 0.684 5.240 4.556 -0.000 0.000 0.344 428 H C -1.098 174.217 175.328 -0.021 0.000 1.040 428 H CA -0.451 55.596 56.048 -0.003 0.000 1.216 428 H CB 2.247 32.014 29.762 0.008 0.000 1.529 428 H HN 0.427 nan 8.280 nan 0.000 0.519 429 L N 3.071 124.317 121.223 0.038 0.000 2.354 429 L HA 0.519 4.859 4.340 -0.000 0.000 0.264 429 L C -0.907 175.828 176.870 -0.226 0.000 1.008 429 L CA -1.094 53.683 54.840 -0.105 0.000 0.819 429 L CB 2.573 44.621 42.059 -0.019 0.000 1.339 429 L HN 0.263 nan 8.230 nan 0.000 0.420 430 L N 1.349 122.261 121.223 -0.518 0.000 2.464 430 L HA 0.993 5.333 4.340 -0.000 0.000 0.266 430 L C -0.333 176.050 176.870 -0.812 0.000 0.965 430 L CA 0.387 54.951 54.840 -0.460 0.000 0.833 430 L CB 1.867 43.746 42.059 -0.300 0.000 1.296 430 L HN 0.778 nan 8.230 nan 0.000 0.405 431 G N 2.577 111.136 108.800 -0.402 0.000 2.361 431 G HA2 0.063 4.023 3.960 -0.000 0.000 0.331 431 G HA3 0.063 4.023 3.960 -0.000 0.000 0.331 431 G C -1.804 173.202 174.900 0.177 0.000 1.324 431 G CA -0.830 44.217 45.100 -0.088 0.000 0.984 431 G HN 0.624 nan 8.290 nan 0.000 0.586 432 D N 0.393 120.958 120.400 0.276 0.000 2.455 432 D HA 0.430 5.070 4.640 -0.000 0.000 0.241 432 D C 1.516 177.964 176.300 0.247 0.000 1.138 432 D CA 2.017 56.140 54.000 0.205 0.000 0.877 432 D CB 0.993 41.900 40.800 0.178 0.000 1.187 432 D HN 1.915 nan 8.370 nan 0.000 0.451 433 G N 1.831 110.736 108.800 0.174 0.000 2.234 433 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.260 433 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.260 433 G C 1.285 176.296 174.900 0.185 0.000 0.987 433 G CA 0.957 46.153 45.100 0.161 0.000 0.625 433 G HN 0.717 nan 8.290 nan 0.000 0.532 434 A N 1.631 124.581 122.820 0.216 0.000 1.896 434 A HA -0.023 4.297 4.320 -0.000 0.000 0.220 434 A C 0.674 178.303 177.584 0.075 0.000 1.206 434 A CA 2.925 55.050 52.037 0.146 0.000 0.647 434 A CB -1.437 17.568 19.000 0.009 0.000 0.828 434 A HN 0.510 nan 8.150 nan 0.000 0.455 435 P HA -0.138 nan 4.420 nan 0.000 0.216 435 P C 1.216 178.572 177.300 0.094 0.000 1.150 435 P CA 1.335 64.445 63.100 0.017 0.000 0.837 435 P CB -0.053 31.656 31.700 0.015 0.000 0.786 436 E N -0.552 119.716 120.200 0.113 0.000 2.076 436 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 436 E C 2.201 178.853 176.600 0.088 0.000 0.979 436 E CA 0.752 57.212 56.400 0.100 0.000 0.807 436 E CB -0.694 29.061 29.700 0.092 0.000 0.761 436 E HN 0.314 nan 8.360 nan 0.000 0.454 437 I N 0.897 121.528 120.570 0.101 0.000 2.208 437 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 437 I C 2.497 178.672 176.117 0.096 0.000 1.097 437 I CA 0.831 62.194 61.300 0.104 0.000 1.363 437 I CB -0.193 37.896 38.000 0.148 0.000 1.051 437 I HN 0.042 nan 8.210 nan 0.000 0.413 438 I N 0.650 121.273 120.570 0.088 0.000 2.676 438 I HA -0.263 3.907 4.170 -0.000 0.000 0.259 438 I C 2.392 178.548 176.117 0.066 0.000 1.194 438 I CA 1.225 62.568 61.300 0.072 0.000 1.473 438 I CB -0.265 37.765 38.000 0.050 0.000 1.096 438 I HN 0.195 nan 8.210 nan 0.000 0.443 439 Q N 1.161 121.001 119.800 0.066 0.000 2.030 439 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 439 Q C 2.199 178.229 176.000 0.049 0.000 0.986 439 Q CA 2.575 58.412 55.803 0.057 0.000 0.843 439 Q CB -0.550 28.222 28.738 0.056 0.000 0.904 439 Q HN 0.538 nan 8.270 nan 0.000 0.420 440 A N -0.574 122.276 122.820 0.051 0.000 1.969 440 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 440 A C 2.264 179.881 177.584 0.055 0.000 1.169 440 A CA 1.324 53.385 52.037 0.041 0.000 0.635 440 A CB -0.672 18.349 19.000 0.034 0.000 0.810 440 A HN 0.286 nan 8.150 nan 0.000 0.445 441 V N 0.086 120.055 119.914 0.091 0.000 2.469 441 V HA -0.235 3.885 4.120 -0.000 0.000 0.251 441 V C 2.768 178.916 176.094 0.089 0.000 1.064 441 V CA 1.846 64.229 62.300 0.138 0.000 1.066 441 V CB -1.407 30.498 31.823 0.137 0.000 0.667 441 V HN 0.622 nan 8.190 nan 0.000 0.461 442 G N -0.031 108.802 108.800 0.055 0.000 2.440 442 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 442 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 442 G C 1.611 176.527 174.900 0.027 0.000 1.154 442 G CA 1.354 46.475 45.100 0.036 0.000 0.767 442 G HN 0.440 nan 8.290 nan 0.000 0.552 443 V N 0.331 120.257 119.914 0.020 0.000 2.427 443 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 443 V C 3.000 179.089 176.094 -0.008 0.000 1.051 443 V CA 1.548 63.850 62.300 0.003 0.000 1.048 443 V CB -0.654 31.166 31.823 -0.005 0.000 0.666 443 V HN 0.497 nan 8.190 nan 0.000 0.456 444 C N -0.264 119.032 119.300 -0.007 0.000 2.432 444 C HA -0.106 4.354 4.460 -0.000 0.000 0.277 444 C C 2.613 177.605 174.990 0.003 0.000 1.249 444 C CA 0.635 59.627 59.018 -0.043 0.000 1.725 444 C CB -1.040 26.657 27.740 -0.071 0.000 2.028 444 C HN 0.467 nan 8.230 nan 0.000 0.477 445 L N 0.623 121.875 121.223 0.048 0.000 2.046 445 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 445 L C 2.682 179.566 176.870 0.024 0.000 1.077 445 L CA 1.548 56.416 54.840 0.048 0.000 0.747 445 L CB -0.881 41.207 42.059 0.049 0.000 0.896 445 L HN 0.274 nan 8.230 nan 0.000 0.432 446 R N -0.256 120.252 120.500 0.014 0.000 2.117 446 R HA -0.154 4.186 4.340 -0.000 0.000 0.243 446 R C 1.823 178.124 176.300 0.001 0.000 1.143 446 R CA 1.326 57.430 56.100 0.007 0.000 0.968 446 R CB -0.300 30.002 30.300 0.002 0.000 0.863 446 R HN 0.317 nan 8.270 nan 0.000 0.444 447 L N 1.211 122.428 121.223 -0.009 0.000 2.645 447 L HA 0.038 4.378 4.340 -0.000 0.000 0.235 447 L C -0.101 176.759 176.870 -0.016 0.000 1.150 447 L CA 0.070 54.900 54.840 -0.018 0.000 0.911 447 L CB -0.186 41.850 42.059 -0.038 0.000 1.077 447 L HN 0.313 nan 8.230 nan 0.000 0.438 448 N N 0.115 118.814 118.700 -0.001 0.000 2.754 448 N HA -0.161 4.579 4.740 -0.000 0.000 0.248 448 N C 0.432 175.943 175.510 0.000 0.000 1.093 448 N CA 0.733 53.787 53.050 0.007 0.000 0.699 448 N CB -0.931 37.561 38.487 0.008 0.000 1.016 448 N HN 0.402 nan 8.380 nan 0.000 0.552 449 A N 0.438 123.255 122.820 -0.006 0.000 2.586 449 A HA 0.156 4.476 4.320 -0.000 0.000 0.231 449 A C 0.761 178.376 177.584 0.053 0.000 1.055 449 A CA 0.676 52.700 52.037 -0.022 0.000 0.756 449 A CB 0.510 19.460 19.000 -0.083 0.000 0.988 449 A HN 0.274 nan 8.150 nan 0.000 0.509 450 K N 1.224 121.652 120.400 0.047 0.000 2.340 450 K HA 0.356 4.676 4.320 -0.000 0.000 0.244 450 K C 0.792 177.481 176.600 0.148 0.000 0.973 450 K CA -0.944 55.389 56.287 0.077 0.000 0.828 450 K CB 1.674 34.193 32.500 0.032 0.000 1.226 450 K HN 0.496 nan 8.250 nan 0.000 0.437 451 I N 2.215 122.842 120.570 0.096 0.000 2.185 451 I HA -0.358 3.812 4.170 -0.000 0.000 0.246 451 I C 2.170 178.346 176.117 0.098 0.000 1.088 451 I CA 2.204 63.521 61.300 0.028 0.000 1.347 451 I CB -0.364 37.511 38.000 -0.208 0.000 1.041 451 I HN 0.804 nan 8.210 nan 0.000 0.415 452 S N -0.649 115.094 115.700 0.072 0.000 2.447 452 S HA -0.165 4.305 4.470 -0.000 0.000 0.233 452 S C 1.766 176.427 174.600 0.102 0.000 1.006 452 S CA 1.126 59.388 58.200 0.103 0.000 0.957 452 S CB -0.694 62.542 63.200 0.060 0.000 0.773 452 S HN 0.525 nan 8.310 nan 0.000 0.507 453 D N 1.120 121.548 120.400 0.047 0.000 2.097 453 D HA -0.037 4.603 4.640 -0.000 0.000 0.195 453 D C 1.520 177.758 176.300 -0.103 0.000 0.989 453 D CA 1.136 55.097 54.000 -0.065 0.000 0.827 453 D CB -0.461 40.240 40.800 -0.165 0.000 0.966 453 D HN 0.485 nan 8.370 nan 0.000 0.456 454 F N 0.057 119.998 119.950 -0.015 0.000 2.102 454 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 454 F C 2.423 178.215 175.800 -0.013 0.000 1.105 454 F CA 0.809 58.794 58.000 -0.024 0.000 1.239 454 F CB -0.689 38.286 39.000 -0.042 0.000 0.991 454 F HN -0.026 nan 8.300 nan 0.000 0.474 455 Y N 1.324 121.687 120.300 0.105 0.000 2.200 455 Y HA -0.219 4.331 4.550 -0.000 0.000 0.290 455 Y C 2.165 178.070 175.900 0.009 0.000 1.137 455 Y CA 1.600 59.717 58.100 0.029 0.000 1.163 455 Y CB -0.604 37.851 38.460 -0.009 0.000 0.988 455 Y HN -0.048 nan 8.280 nan 0.000 0.518 456 N N -0.471 118.245 118.700 0.027 0.000 2.381 456 N HA -0.080 4.660 4.740 -0.000 0.000 0.182 456 N C 0.288 175.733 175.510 -0.109 0.000 1.025 456 N CA 1.151 54.170 53.050 -0.052 0.000 0.888 456 N CB -0.694 37.800 38.487 0.012 0.000 0.965 456 N HN 0.184 nan 8.380 nan 0.000 0.438 457 T N 2.327 116.823 114.554 -0.098 0.000 2.902 457 T HA 0.134 4.484 4.350 -0.000 0.000 0.301 457 T C 0.865 175.494 174.700 -0.118 0.000 1.012 457 T CA -0.087 61.955 62.100 -0.095 0.000 1.151 457 T CB 0.696 69.516 68.868 -0.081 0.000 0.946 457 T HN 0.018 nan 8.240 nan 0.000 0.542 458 I N 3.059 123.571 120.570 -0.097 0.000 2.471 458 I HA 0.229 4.399 4.170 -0.000 0.000 0.286 458 I C 1.465 177.540 176.117 -0.069 0.000 1.079 458 I CA -0.453 60.788 61.300 -0.098 0.000 1.398 458 I CB 0.456 38.410 38.000 -0.076 0.000 1.403 458 I HN 0.666 nan 8.210 nan 0.000 0.530 459 G N 5.715 114.469 108.800 -0.077 0.000 2.554 459 G HA2 0.337 4.297 3.960 -0.000 0.000 0.238 459 G HA3 0.337 4.297 3.960 -0.000 0.000 0.238 459 G C -0.259 174.640 174.900 -0.002 0.000 1.259 459 G CA -0.360 44.717 45.100 -0.038 0.000 0.843 459 G HN 0.413 nan 8.290 nan 0.000 0.582 460 V N 1.993 121.920 119.914 0.021 0.000 2.394 460 V HA 0.378 4.498 4.120 -0.000 0.000 0.282 460 V C -0.214 175.935 176.094 0.092 0.000 1.031 460 V CA -0.606 61.719 62.300 0.041 0.000 0.881 460 V CB 1.123 32.957 31.823 0.018 0.000 0.982 460 V HN 0.888 nan 8.190 nan 0.000 0.451 461 H N 5.197 124.252 119.070 -0.026 0.000 2.679 461 H HA 0.717 5.273 4.556 -0.000 0.000 0.360 461 H C -2.668 172.650 175.328 -0.017 0.000 1.105 461 H CA -1.901 54.133 56.048 -0.023 0.000 1.196 461 H CB 2.138 31.886 29.762 -0.023 0.000 1.636 461 H HN 0.526 nan 8.280 nan 0.000 0.531 462 P HA 0.279 nan 4.420 nan 0.000 0.287 462 P C -1.072 176.155 177.300 -0.120 0.000 1.294 462 P CA -0.540 62.296 63.100 -0.440 0.000 0.776 462 P CB 1.069 32.478 31.700 -0.485 0.000 0.889 463 T N -1.907 112.637 114.554 -0.015 0.000 2.887 463 T HA 0.376 4.726 4.350 -0.000 0.000 0.292 463 T C 0.932 175.593 174.700 -0.065 0.000 1.087 463 T CA -0.561 61.513 62.100 -0.044 0.000 1.009 463 T CB 1.332 70.179 68.868 -0.034 0.000 1.203 463 T HN -0.019 nan 8.240 nan 0.000 0.518 464 S N 0.261 115.850 115.700 -0.185 0.000 2.371 464 S HA 0.040 4.510 4.470 -0.000 0.000 0.224 464 S C 2.505 176.916 174.600 -0.316 0.000 1.029 464 S CA 1.047 58.982 58.200 -0.442 0.000 0.978 464 S CB -0.939 61.704 63.200 -0.929 0.000 0.833 464 S HN 0.912 nan 8.310 nan 0.000 0.466 465 A N 2.306 125.034 122.820 -0.155 0.000 1.948 465 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 465 A C 1.989 179.575 177.584 0.003 0.000 1.177 465 A CA 1.938 53.960 52.037 -0.025 0.000 0.636 465 A CB -0.826 18.185 19.000 0.019 0.000 0.815 465 A HN 0.784 nan 8.150 nan 0.000 0.449 466 E N -0.510 119.686 120.200 -0.008 0.000 2.267 466 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 466 E C 1.237 177.828 176.600 -0.015 0.000 0.998 466 E CA 1.170 57.571 56.400 0.001 0.000 0.830 466 E CB -0.351 29.357 29.700 0.013 0.000 0.751 466 E HN 0.506 nan 8.360 nan 0.000 0.491 467 E N 1.078 121.261 120.200 -0.028 0.000 2.187 467 E HA -0.175 4.175 4.350 -0.000 0.000 0.199 467 E C 2.087 178.689 176.600 0.003 0.000 1.004 467 E CA 0.915 57.298 56.400 -0.028 0.000 0.813 467 E CB -0.259 29.450 29.700 0.015 0.000 0.736 467 E HN 0.497 nan 8.360 nan 0.000 0.468 468 L N -0.928 120.306 121.223 0.018 0.000 2.395 468 L HA -0.074 4.266 4.340 -0.000 0.000 0.218 468 L C 1.575 178.456 176.870 0.018 0.000 1.130 468 L CA 0.335 55.159 54.840 -0.025 0.000 0.826 468 L CB 0.150 42.210 42.059 0.002 0.000 0.941 468 L HN 0.100 nan 8.230 nan 0.000 0.451 469 C N -1.605 117.726 119.300 0.051 0.000 3.125 469 C HA 0.204 4.664 4.460 -0.000 0.000 0.284 469 C C 1.610 176.578 174.990 -0.037 0.000 1.386 469 C CA -0.234 58.817 59.018 0.054 0.000 1.763 469 C CB -0.255 27.506 27.740 0.034 0.000 2.377 469 C HN 0.288 nan 8.230 nan 0.000 0.620 470 S N 0.448 116.161 115.700 0.021 0.000 2.741 470 S HA 0.367 4.837 4.470 -0.000 0.000 0.247 470 S C -0.013 174.714 174.600 0.213 0.000 1.050 470 S CA -0.021 58.217 58.200 0.063 0.000 1.025 470 S CB -0.057 63.133 63.200 -0.018 0.000 0.897 470 S HN 0.498 nan 8.310 nan 0.000 0.508 471 M N 2.486 122.225 119.600 0.232 0.000 2.078 471 M HA 0.380 4.860 4.480 -0.000 0.000 0.320 471 M C 0.914 177.219 176.300 0.009 0.000 0.969 471 M CA -0.271 55.102 55.300 0.122 0.000 0.929 471 M CB 1.491 34.109 32.600 0.030 0.000 1.504 471 M HN 0.231 nan 8.290 nan 0.000 0.419 472 R N -0.008 120.446 120.500 -0.076 0.000 2.342 472 R HA 0.287 4.627 4.340 -0.000 0.000 0.204 472 R C -0.283 176.048 176.300 0.052 0.000 0.882 472 R CA 0.021 55.925 56.100 -0.327 0.000 1.041 472 R CB 0.385 30.166 30.300 -0.866 0.000 1.188 472 R HN 0.367 nan 8.270 nan 0.000 0.598 473 T N 3.926 118.556 114.554 0.127 0.000 2.770 473 T HA 0.406 4.756 4.350 -0.000 0.000 0.283 473 T C -2.664 172.001 174.700 -0.059 0.000 0.988 473 T CA -1.632 60.515 62.100 0.078 0.000 0.957 473 T CB 2.080 70.957 68.868 0.014 0.000 0.930 473 T HN -0.015 nan 8.240 nan 0.000 0.443 474 P HA 0.218 nan 4.420 nan 0.000 0.268 474 P C 0.481 177.409 177.300 -0.620 0.000 1.205 474 P CA -0.079 62.379 63.100 -1.069 0.000 0.771 474 P CB 0.605 31.463 31.700 -1.403 0.000 0.858 475 S N 1.471 116.842 115.700 -0.548 0.000 2.406 475 S HA -0.007 4.463 4.470 -0.000 0.000 0.228 475 S C 0.402 174.905 174.600 -0.161 0.000 1.020 475 S CA 1.139 59.191 58.200 -0.246 0.000 0.965 475 S CB -0.594 62.558 63.200 -0.079 0.000 0.798 475 S HN 0.684 nan 8.310 nan 0.000 0.488 476 Y N -2.548 117.452 120.300 -0.500 0.000 2.853 476 Y HA 0.709 5.259 4.550 -0.000 0.000 0.326 476 Y C -1.444 174.029 175.900 -0.712 0.000 1.384 476 Y CA -2.238 55.598 58.100 -0.441 0.000 1.077 476 Y CB 0.578 38.886 38.460 -0.253 0.000 1.395 476 Y HN -0.073 nan 8.280 nan 0.000 0.451 477 Y N -1.065 119.216 120.300 -0.032 0.000 2.609 477 Y HA 0.661 5.210 4.550 -0.000 0.000 0.342 477 Y C -1.576 174.287 175.900 -0.062 0.000 1.058 477 Y CA -1.500 56.553 58.100 -0.078 0.000 1.055 477 Y CB 2.229 40.612 38.460 -0.128 0.000 1.292 477 Y HN 0.568 nan 8.280 nan 0.000 0.476 478 Y N -0.024 120.404 120.300 0.213 0.000 2.350 478 Y HA 0.450 5.000 4.550 0.000 0.000 0.338 478 Y C 0.258 176.243 175.900 0.141 0.000 0.961 478 Y CA -0.639 57.559 58.100 0.164 0.000 1.100 478 Y CB 1.767 40.311 38.460 0.140 0.000 1.179 478 Y HN 0.409 nan 8.280 nan 0.000 0.454 479 V N 2.252 122.296 119.914 0.217 0.000 2.599 479 V HA 0.045 4.165 4.120 -0.000 0.000 0.237 479 V C 0.683 176.858 176.094 0.136 0.000 1.081 479 V CA 0.954 63.342 62.300 0.147 0.000 1.107 479 V CB 0.179 32.043 31.823 0.068 0.000 0.808 479 V HN 0.605 nan 8.190 nan 0.000 0.486 480 K N -0.099 120.374 120.400 0.121 0.000 3.045 480 K HA 0.437 4.757 4.320 -0.000 0.000 0.211 480 K C 0.678 177.348 176.600 0.117 0.000 1.141 480 K CA 0.548 56.896 56.287 0.102 0.000 1.036 480 K CB 0.760 33.300 32.500 0.067 0.000 0.851 480 K HN 0.489 nan 8.250 nan 0.000 0.462 481 G N 1.064 109.969 108.800 0.175 0.000 2.141 481 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.242 481 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.242 481 G C -0.241 174.831 174.900 0.287 0.000 0.982 481 G CA -0.182 45.039 45.100 0.202 0.000 0.662 481 G HN 0.418 nan 8.290 nan 0.000 0.527 482 E N 0.510 120.853 120.200 0.237 0.000 2.156 482 E HA 0.397 4.747 4.350 -0.000 0.000 0.279 482 E C 0.091 176.710 176.600 0.031 0.000 0.965 482 E CA -0.737 55.751 56.400 0.146 0.000 0.789 482 E CB 0.680 30.421 29.700 0.069 0.000 1.098 482 E HN 0.251 nan 8.360 nan 0.000 0.397 483 K N 5.634 125.946 120.400 -0.147 0.000 2.322 483 K HA 0.240 4.560 4.320 -0.000 0.000 0.283 483 K C -0.419 176.028 176.600 -0.255 0.000 1.042 483 K CA -0.043 55.923 56.287 -0.534 0.000 0.958 483 K CB 0.419 32.540 32.500 -0.631 0.000 0.984 483 K HN 0.540 nan 8.250 nan 0.000 0.473 484 M N 1.837 121.324 119.600 -0.189 0.000 2.413 484 M HA 0.203 4.683 4.480 -0.000 0.000 0.287 484 M C 0.219 176.535 176.300 0.026 0.000 1.186 484 M CA -0.799 54.460 55.300 -0.069 0.000 0.927 484 M CB 1.881 34.465 32.600 -0.026 0.000 1.715 484 M HN 0.663 nan 8.290 nan 0.000 0.478 485 E N 2.062 122.270 120.200 0.013 0.000 2.058 485 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 485 E C -0.260 176.442 176.600 0.169 0.000 0.997 485 E CA 1.708 58.149 56.400 0.067 0.000 0.801 485 E CB 0.480 30.191 29.700 0.019 0.000 0.746 485 E HN 0.645 nan 8.360 nan 0.000 0.450 486 K N -0.361 120.106 120.400 0.111 0.000 2.350 486 K HA 0.434 4.754 4.320 -0.000 0.000 0.241 486 K C -0.919 175.617 176.600 -0.107 0.000 0.994 486 K CA -0.605 55.727 56.287 0.075 0.000 0.839 486 K CB 1.741 34.255 32.500 0.022 0.000 1.244 486 K HN -0.039 nan 8.250 nan 0.000 0.443 487 L N 3.746 124.757 121.223 -0.354 0.000 2.380 487 L HA 0.316 4.656 4.340 -0.000 0.000 0.273 487 L C -1.372 175.396 176.870 -0.170 0.000 1.138 487 L CA -1.493 53.121 54.840 -0.378 0.000 0.832 487 L CB 0.338 42.076 42.059 -0.536 0.000 1.124 487 L HN 0.658 nan 8.230 nan 0.000 0.454 488 P HA 0.000 nan 4.420 nan 0.000 0.216 488 P CA 0.000 63.061 63.100 -0.066 0.000 0.800 488 P CB 0.000 31.673 31.700 -0.046 0.000 0.726