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 2coi_1_A DATA FIRST_RESID 22 DATA SEQUENCE VGTFKAKDLI VTPATILKEK PDPNXLVFGT VFTDHMLTVE WSSEFGWEKP DATA SEQUENCE HIKPLQNLSL HPGSSALHYA VELFEGLKAF RGVDNKIRLF QPNLNMDRMY DATA SEQUENCE RSAVRATLPV FDKEELLECI QQLVKLDQEW VPYSTSASLY IRPTFIGTEP DATA SEQUENCE SLGVKKPTKA LLFVLLSPVG PYXXXXXFNP VSLWANPKYV RAWKGGTGDC DATA SEQUENCE KMGGNYGSSL FAQCEAVDNG CQQVLWLYGE DHQITEVGTM NLFLYWINED DATA SEQUENCE GEEELATPPL DGIILPGVTR RCILDLAHQW GEFKVSERYL TMDDLTTALE DATA SEQUENCE GNRVREMFGS GTACVVCPVS DILYKGETIH IPTMENGPKL ASRILSKLTD DATA SEQUENCE IQYGREERDW TIVL 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 22 V HA 0.000 nan 4.120 nan 0.000 0.244 22 V C 0.000 176.232 176.094 0.230 0.000 1.182 22 V CA 0.000 62.423 62.300 0.206 0.000 1.235 22 V CB 0.000 31.902 31.823 0.132 0.000 1.184 23 G N 3.603 112.598 108.800 0.325 0.000 2.450 23 G HA2 0.747 4.703 3.960 -0.006 0.000 0.273 23 G HA3 0.747 4.703 3.960 -0.006 0.000 0.273 23 G C -0.557 174.592 174.900 0.415 0.000 1.221 23 G CA 0.482 45.775 45.100 0.322 0.000 0.900 23 G HN 1.548 nan 8.290 nan 0.000 0.483 24 T N -1.072 113.681 114.554 0.332 0.000 2.733 24 T HA 0.581 4.928 4.350 -0.006 0.000 0.312 24 T C -1.688 172.984 174.700 -0.046 0.000 1.590 24 T CA -0.346 61.746 62.100 -0.014 0.000 1.005 24 T CB 0.910 69.633 68.868 -0.241 0.000 1.528 24 T HN 1.314 nan 8.240 nan 0.000 0.496 25 F N 1.119 120.955 119.950 -0.191 0.000 2.403 25 F HA 0.869 5.392 4.527 -0.007 0.000 0.326 25 F C -0.061 175.692 175.800 -0.079 0.000 1.081 25 F CA -0.956 56.997 58.000 -0.078 0.000 1.041 25 F CB 0.710 39.607 39.000 -0.171 0.000 1.234 25 F HN 0.358 nan 8.300 nan 0.000 0.503 26 K N 1.174 121.681 120.400 0.179 0.000 2.324 26 K HA 0.614 4.931 4.320 -0.006 0.000 0.253 26 K C 0.330 177.004 176.600 0.123 0.000 0.932 26 K CA -0.670 55.669 56.287 0.086 0.000 0.799 26 K CB 2.172 34.696 32.500 0.039 0.000 1.154 26 K HN 0.792 nan 8.250 nan 0.000 0.425 27 A N 2.657 125.533 122.820 0.093 0.000 1.948 27 A HA -0.249 4.067 4.320 -0.006 0.000 0.220 27 A C 2.235 179.835 177.584 0.027 0.000 1.177 27 A CA 2.442 54.516 52.037 0.061 0.000 0.636 27 A CB -0.731 18.292 19.000 0.038 0.000 0.815 27 A HN 0.796 nan 8.150 nan 0.000 0.449 28 K N -0.284 120.130 120.400 0.023 0.000 2.360 28 K HA -0.125 4.191 4.320 -0.006 0.000 0.201 28 K C 1.130 177.735 176.600 0.007 0.000 1.046 28 K CA 1.785 58.078 56.287 0.011 0.000 0.945 28 K CB -0.773 31.733 32.500 0.011 0.000 0.750 28 K HN 0.584 nan 8.250 nan 0.000 0.464 29 D N -0.447 119.964 120.400 0.018 0.000 2.339 29 D HA 0.171 4.807 4.640 -0.006 0.000 0.217 29 D C -0.040 176.237 176.300 -0.037 0.000 1.050 29 D CA -0.297 53.706 54.000 0.006 0.000 0.856 29 D CB -0.190 40.634 40.800 0.040 0.000 0.922 29 D HN 0.400 nan 8.370 nan 0.000 0.518 30 L N 1.280 122.478 121.223 -0.042 0.000 2.640 30 L HA -0.042 4.294 4.340 -0.006 0.000 0.280 30 L C 0.349 177.139 176.870 -0.135 0.000 1.229 30 L CA 0.594 55.381 54.840 -0.088 0.000 0.919 30 L CB 0.322 42.345 42.059 -0.060 0.000 1.168 30 L HN -0.050 nan 8.230 nan 0.000 0.496 31 I N 4.761 125.181 120.570 -0.251 0.000 2.347 31 I HA 0.192 4.358 4.170 -0.006 0.000 0.283 31 I C -0.385 175.625 176.117 -0.178 0.000 1.058 31 I CA -0.467 60.663 61.300 -0.283 0.000 1.202 31 I CB 1.232 38.876 38.000 -0.593 0.000 1.386 31 I HN 0.220 nan 8.210 nan 0.000 0.475 32 V N 5.166 125.031 119.914 -0.082 0.000 2.383 32 V HA 0.300 4.416 4.120 -0.006 0.000 0.275 32 V C 0.349 176.450 176.094 0.011 0.000 1.036 32 V CA -0.220 62.062 62.300 -0.030 0.000 0.889 32 V CB 1.376 33.173 31.823 -0.043 0.000 0.985 32 V HN 0.637 nan 8.190 nan 0.000 0.459 33 T N 7.333 121.922 114.554 0.059 0.000 2.977 33 T HA 0.355 4.702 4.350 -0.006 0.000 0.346 33 T C -2.530 172.249 174.700 0.132 0.000 1.140 33 T CA -1.088 61.061 62.100 0.082 0.000 1.040 33 T CB 1.272 70.197 68.868 0.094 0.000 1.046 33 T HN 0.414 nan 8.240 nan 0.000 0.494 34 P HA 0.257 nan 4.420 nan 0.000 0.268 34 P C -0.639 176.796 177.300 0.225 0.000 1.208 34 P CA -0.324 62.911 63.100 0.225 0.000 0.777 34 P CB 0.459 32.234 31.700 0.125 0.000 0.875 35 A N 1.631 124.632 122.820 0.302 0.000 2.366 35 A HA 0.321 4.638 4.320 -0.006 0.000 0.272 35 A C 1.555 179.183 177.584 0.074 0.000 1.135 35 A CA 0.205 52.274 52.037 0.053 0.000 0.804 35 A CB -0.358 18.544 19.000 -0.163 0.000 1.064 35 A HN 0.670 nan 8.150 nan 0.000 0.499 36 T N 1.209 115.787 114.554 0.041 0.000 2.737 36 T HA 0.008 4.355 4.350 -0.006 0.000 0.265 36 T C 0.649 175.373 174.700 0.040 0.000 1.038 36 T CA 1.133 63.257 62.100 0.040 0.000 1.144 36 T CB -0.412 68.471 68.868 0.025 0.000 0.866 36 T HN 0.431 nan 8.240 nan 0.000 0.434 37 I N 2.803 123.390 120.570 0.028 0.000 2.330 37 I HA 0.329 4.496 4.170 -0.006 0.000 0.289 37 I C -0.536 175.608 176.117 0.045 0.000 1.001 37 I CA -1.054 60.267 61.300 0.033 0.000 1.193 37 I CB 1.556 39.569 38.000 0.022 0.000 1.345 37 I HN 0.140 nan 8.210 nan 0.000 0.461 38 L N 6.306 127.574 121.223 0.075 0.000 2.360 38 L HA 0.481 4.817 4.340 -0.006 0.000 0.271 38 L C 0.230 177.183 176.870 0.139 0.000 1.057 38 L CA -0.645 54.270 54.840 0.125 0.000 0.803 38 L CB 1.241 43.397 42.059 0.160 0.000 1.207 38 L HN 0.530 nan 8.230 nan 0.000 0.445 39 K N 0.678 121.222 120.400 0.240 0.000 2.098 39 K HA 0.490 4.806 4.320 -0.006 0.000 0.261 39 K C 0.127 176.831 176.600 0.174 0.000 0.987 39 K CA -0.446 55.991 56.287 0.250 0.000 0.916 39 K CB 0.809 33.527 32.500 0.363 0.000 1.039 39 K HN 0.698 nan 8.250 nan 0.000 0.455 40 E N 2.159 122.406 120.200 0.078 0.000 2.338 40 E HA 0.095 4.442 4.350 -0.006 0.000 0.272 40 E C -0.548 175.950 176.600 -0.170 0.000 1.029 40 E CA -0.565 55.799 56.400 -0.060 0.000 0.872 40 E CB 0.247 29.934 29.700 -0.021 0.000 1.015 40 E HN 0.310 nan 8.360 nan 0.000 0.417 41 K N 2.597 122.749 120.400 -0.413 0.000 2.319 41 K HA 0.290 4.606 4.320 -0.006 0.000 0.265 41 K C -1.642 174.880 176.600 -0.130 0.000 1.000 41 K CA -0.954 55.028 56.287 -0.509 0.000 0.943 41 K CB 0.635 32.828 32.500 -0.512 0.000 0.950 41 K HN 0.641 nan 8.250 nan 0.000 0.485 42 P HA 0.104 nan 4.420 nan 0.000 0.293 42 P C -0.939 176.377 177.300 0.026 0.000 1.304 42 P CA -0.379 62.751 63.100 0.049 0.000 0.767 42 P CB 0.545 32.309 31.700 0.106 0.000 1.247 43 D N -0.232 120.188 120.400 0.033 0.000 2.317 43 D HA 0.165 4.801 4.640 -0.006 0.000 0.234 43 D C -1.621 174.705 176.300 0.043 0.000 1.112 43 D CA -2.013 52.005 54.000 0.029 0.000 0.840 43 D CB 1.052 41.865 40.800 0.022 0.000 1.078 43 D HN -0.010 nan 8.370 nan 0.000 0.486 44 P HA -0.156 nan 4.420 nan 0.000 0.219 44 P C 0.312 177.645 177.300 0.056 0.000 1.145 44 P CA 1.220 64.359 63.100 0.065 0.000 0.813 44 P CB 0.094 31.838 31.700 0.074 0.000 0.771 48 V N 2.968 122.895 119.914 0.023 0.000 2.470 48 V HA 0.135 4.251 4.120 -0.006 0.000 0.276 48 V C 0.381 176.495 176.094 0.033 0.000 1.040 48 V CA -0.082 62.241 62.300 0.038 0.000 1.008 48 V CB 0.923 32.755 31.823 0.015 0.000 0.990 48 V HN 0.487 nan 8.190 nan 0.000 0.477 49 F N 4.976 124.902 119.950 -0.039 0.000 2.568 49 F HA 0.242 4.765 4.527 -0.006 0.000 0.394 49 F C 1.466 177.196 175.800 -0.116 0.000 1.032 49 F CA 1.399 59.365 58.000 -0.057 0.000 1.242 49 F CB 0.214 39.236 39.000 0.036 0.000 0.966 49 F HN 0.875 nan 8.300 nan 0.000 0.560 50 G N 3.758 111.874 108.800 -1.140 0.000 2.225 50 G HA2 -0.389 3.567 3.960 -0.006 0.000 0.272 50 G HA3 -0.389 3.567 3.960 -0.006 0.000 0.272 50 G C 0.931 175.449 174.900 -0.637 0.000 0.996 50 G CA 0.912 45.446 45.100 -0.944 0.000 0.710 50 G HN 0.848 nan 8.290 nan 0.000 0.522 51 T N -0.971 113.306 114.554 -0.462 0.000 2.976 51 T HA 0.264 4.611 4.350 -0.006 0.000 0.257 51 T C 1.190 175.644 174.700 -0.410 0.000 1.051 51 T CA 1.065 62.987 62.100 -0.296 0.000 1.141 51 T CB 0.329 69.124 68.868 -0.121 0.000 0.881 51 T HN 0.203 nan 8.240 nan 0.000 0.461 52 V N 2.067 121.683 119.914 -0.498 0.000 2.532 52 V HA 0.522 4.638 4.120 -0.006 0.000 0.295 52 V C -0.895 174.797 176.094 -0.670 0.000 1.041 52 V CA -0.847 61.236 62.300 -0.361 0.000 0.926 52 V CB 1.176 32.945 31.823 -0.091 0.000 0.992 52 V HN 0.233 nan 8.190 nan 0.000 0.457 53 F N 1.453 121.312 119.950 -0.151 0.000 2.546 53 F HA 0.558 5.082 4.527 -0.005 0.000 0.320 53 F C 0.925 176.362 175.800 -0.604 0.000 1.076 53 F CA -0.666 57.168 58.000 -0.276 0.000 0.928 53 F CB 1.991 40.870 39.000 -0.201 0.000 1.189 53 F HN 0.630 nan 8.300 nan 0.000 0.465 54 T N -2.687 111.466 114.554 -0.668 0.000 2.750 54 T HA 0.044 4.391 4.350 -0.006 0.000 0.351 54 T C 0.691 174.893 174.700 -0.830 0.000 1.082 54 T CA -0.213 60.967 62.100 -1.533 0.000 1.022 54 T CB 0.452 68.588 68.868 -1.221 0.000 1.249 54 T HN 0.566 nan 8.240 nan 0.000 0.520 55 D N -0.225 119.807 120.400 -0.612 0.000 2.289 55 D HA 0.083 4.719 4.640 -0.006 0.000 0.207 55 D C 0.315 176.322 176.300 -0.489 0.000 0.966 55 D CA 1.002 54.827 54.000 -0.292 0.000 0.868 55 D CB 0.030 40.812 40.800 -0.029 0.000 0.943 55 D HN 0.618 nan 8.370 nan 0.000 0.514 56 H N -1.079 117.911 119.070 -0.133 0.000 2.855 56 H HA 0.573 5.125 4.556 -0.006 0.000 0.363 56 H C 0.091 175.368 175.328 -0.085 0.000 1.185 56 H CA -0.873 55.129 56.048 -0.077 0.000 1.174 56 H CB 1.793 31.536 29.762 -0.032 0.000 1.857 56 H HN -0.182 nan 8.280 nan 0.000 0.565 57 M N 0.456 120.103 119.600 0.078 0.000 2.683 57 M HA 0.571 5.047 4.480 -0.006 0.000 0.274 57 M C -1.917 174.407 176.300 0.040 0.000 1.272 57 M CA -1.297 54.023 55.300 0.032 0.000 0.833 57 M CB 2.622 35.213 32.600 -0.015 0.000 1.708 57 M HN 0.407 nan 8.290 nan 0.000 0.463 58 L N 2.022 123.265 121.223 0.033 0.000 2.313 58 L HA 0.854 5.190 4.340 -0.006 0.000 0.283 58 L C -1.012 175.872 176.870 0.024 0.000 1.013 58 L CA 0.425 55.265 54.840 0.000 0.000 0.816 58 L CB 1.978 44.002 42.059 -0.058 0.000 1.236 58 L HN 0.932 nan 8.230 nan 0.000 0.419 59 T N 2.183 116.741 114.554 0.008 0.000 2.881 59 T HA 0.795 5.141 4.350 -0.006 0.000 0.290 59 T C -1.032 173.660 174.700 -0.014 0.000 1.000 59 T CA -0.689 61.427 62.100 0.026 0.000 0.978 59 T CB 1.445 70.317 68.868 0.007 0.000 0.997 59 T HN 0.403 nan 8.240 nan 0.000 0.443 60 V N 2.853 122.757 119.914 -0.016 0.000 2.482 60 V HA 0.460 4.577 4.120 -0.006 0.000 0.295 60 V C -0.322 175.946 176.094 0.289 0.000 1.026 60 V CA -0.904 61.400 62.300 0.006 0.000 0.856 60 V CB 1.618 33.175 31.823 -0.443 0.000 1.001 60 V HN 0.911 nan 8.190 nan 0.000 0.424 61 E N 2.313 122.690 120.200 0.295 0.000 2.349 61 E HA 0.373 4.720 4.350 -0.006 0.000 0.265 61 E C -1.089 175.769 176.600 0.430 0.000 1.064 61 E CA -0.267 56.316 56.400 0.305 0.000 0.886 61 E CB 2.437 32.232 29.700 0.158 0.000 1.036 61 E HN 0.700 nan 8.360 nan 0.000 0.413 62 W N 0.757 122.085 121.300 0.047 0.000 3.107 62 W HA 0.363 5.018 4.660 -0.008 0.000 0.331 62 W C -1.172 175.284 176.519 -0.105 0.000 1.204 62 W CA -0.367 56.856 57.345 -0.204 0.000 1.184 62 W CB 1.331 30.304 29.460 -0.811 0.000 1.421 62 W HN 0.462 nan 8.180 nan 0.000 0.544 63 S N 1.131 116.052 115.700 -1.299 0.000 2.550 63 S HA 0.343 4.809 4.470 -0.006 0.000 0.270 63 S C 0.129 173.588 174.600 -1.902 0.000 1.145 63 S CA -0.111 57.400 58.200 -1.147 0.000 0.852 63 S CB 1.289 64.256 63.200 -0.388 0.000 1.119 63 S HN 0.879 nan 8.310 nan 0.000 0.465 64 S N 0.277 115.159 115.700 -1.364 0.000 2.489 64 S HA -0.027 4.440 4.470 -0.006 0.000 0.228 64 S C 1.263 175.562 174.600 -0.503 0.000 0.995 64 S CA 0.878 58.589 58.200 -0.816 0.000 0.934 64 S CB -0.478 62.564 63.200 -0.264 0.000 0.771 64 S HN 0.811 nan 8.310 nan 0.000 0.522 65 E N 0.600 120.481 120.200 -0.533 0.000 2.021 65 E HA -0.004 4.343 4.350 -0.006 0.000 0.189 65 E C 0.831 176.993 176.600 -0.730 0.000 0.980 65 E CA 1.156 57.176 56.400 -0.633 0.000 0.803 65 E CB -0.076 29.149 29.700 -0.792 0.000 0.766 65 E HN 0.684 nan 8.360 nan 0.000 0.449 66 F N -0.315 119.486 119.950 -0.247 0.000 2.721 66 F HA 0.353 4.876 4.527 -0.007 0.000 0.301 66 F C 1.204 176.908 175.800 -0.159 0.000 1.096 66 F CA 0.267 58.175 58.000 -0.154 0.000 1.308 66 F CB 0.834 39.772 39.000 -0.104 0.000 1.086 66 F HN 0.267 nan 8.300 nan 0.000 0.587 67 G N 0.158 108.804 108.800 -0.256 0.000 2.542 67 G HA2 -0.303 3.654 3.960 -0.006 0.000 0.235 67 G HA3 -0.303 3.654 3.960 -0.006 0.000 0.235 67 G C -0.728 174.111 174.900 -0.102 0.000 1.286 67 G CA -0.760 44.181 45.100 -0.265 0.000 0.904 67 G HN 0.206 nan 8.290 nan 0.000 0.577 68 W N 2.028 123.569 121.300 0.402 0.000 2.253 68 W HA 0.529 5.188 4.660 -0.001 0.000 0.322 68 W C 1.057 177.748 176.519 0.288 0.000 1.342 68 W CA -0.424 57.207 57.345 0.477 0.000 1.218 68 W CB 0.623 30.429 29.460 0.576 0.000 1.205 68 W HN 0.482 nan 8.180 nan 0.000 0.551 69 E N 2.023 122.533 120.200 0.518 0.000 2.849 69 E HA 0.222 4.569 4.350 -0.006 0.000 0.257 69 E C -0.446 176.341 176.600 0.311 0.000 1.306 69 E CA -0.699 55.891 56.400 0.317 0.000 1.058 69 E CB 0.406 30.240 29.700 0.223 0.000 1.249 69 E HN 0.288 nan 8.360 nan 0.000 0.638 70 K N 2.334 122.865 120.400 0.218 0.000 2.322 70 K HA 0.201 4.517 4.320 -0.006 0.000 0.283 70 K C -2.119 174.547 176.600 0.109 0.000 1.042 70 K CA -1.466 54.903 56.287 0.136 0.000 0.958 70 K CB 0.326 32.852 32.500 0.043 0.000 0.984 70 K HN 0.237 nan 8.250 nan 0.000 0.473 71 P HA -0.043 nan 4.420 nan 0.000 0.268 71 P C -0.935 176.307 177.300 -0.096 0.000 1.205 71 P CA 0.397 63.434 63.100 -0.106 0.000 0.771 71 P CB 0.706 32.252 31.700 -0.256 0.000 0.858 72 H N 1.917 120.934 119.070 -0.089 0.000 2.572 72 H HA 0.468 5.021 4.556 -0.005 0.000 0.359 72 H C -0.221 175.080 175.328 -0.045 0.000 1.134 72 H CA -0.760 55.260 56.048 -0.047 0.000 1.187 72 H CB 1.919 31.664 29.762 -0.028 0.000 1.597 72 H HN 0.311 nan 8.280 nan 0.000 0.524 73 I N 4.659 125.268 120.570 0.065 0.000 2.390 73 I HA 0.181 4.348 4.170 -0.006 0.000 0.283 73 I C -0.219 175.962 176.117 0.107 0.000 1.016 73 I CA -0.409 60.921 61.300 0.050 0.000 1.151 73 I CB 0.793 38.785 38.000 -0.012 0.000 1.293 73 I HN 0.459 nan 8.210 nan 0.000 0.458 74 K N 5.889 126.368 120.400 0.132 0.000 2.372 74 K HA 0.757 5.073 4.320 -0.006 0.000 0.251 74 K C -3.068 173.601 176.600 0.115 0.000 1.055 74 K CA -2.231 54.141 56.287 0.141 0.000 0.879 74 K CB 0.941 33.488 32.500 0.078 0.000 1.384 74 K HN -0.036 nan 8.250 nan 0.000 0.465 75 P HA 0.004 nan 4.420 nan 0.000 0.268 75 P C -0.669 176.546 177.300 -0.142 0.000 1.205 75 P CA -0.419 62.578 63.100 -0.172 0.000 0.771 75 P CB 0.329 31.947 31.700 -0.137 0.000 0.858 76 L N 4.260 125.369 121.223 -0.189 0.000 2.601 76 L HA 0.030 4.366 4.340 -0.006 0.000 0.277 76 L C 0.272 177.045 176.870 -0.161 0.000 1.219 76 L CA 1.368 56.106 54.840 -0.170 0.000 0.915 76 L CB -0.646 41.301 42.059 -0.188 0.000 1.160 76 L HN 0.462 nan 8.230 nan 0.000 0.494 77 Q N 2.644 122.340 119.800 -0.172 0.000 2.626 77 Q HA 0.540 4.877 4.340 -0.006 0.000 0.300 77 Q C -1.093 174.787 176.000 -0.200 0.000 0.988 77 Q CA -1.179 54.528 55.803 -0.161 0.000 0.761 77 Q CB 0.757 29.419 28.738 -0.127 0.000 1.494 77 Q HN 0.509 nan 8.270 nan 0.000 0.439 78 N N 0.177 118.774 118.700 -0.172 0.000 2.503 78 N HA 0.351 5.087 4.740 -0.006 0.000 0.267 78 N C -0.838 174.559 175.510 -0.189 0.000 1.214 78 N CA -0.200 52.740 53.050 -0.183 0.000 0.959 78 N CB 0.498 38.904 38.487 -0.136 0.000 1.142 78 N HN 0.456 nan 8.380 nan 0.000 0.455 79 L N 0.231 121.326 121.223 -0.214 0.000 2.350 79 L HA 0.283 4.620 4.340 -0.006 0.000 0.275 79 L C 0.704 177.502 176.870 -0.121 0.000 1.099 79 L CA -0.385 54.338 54.840 -0.195 0.000 0.808 79 L CB 1.133 43.044 42.059 -0.248 0.000 1.149 79 L HN 0.386 nan 8.230 nan 0.000 0.442 80 S N 4.154 119.801 115.700 -0.089 0.000 2.488 80 S HA 0.559 5.026 4.470 -0.006 0.000 0.310 80 S C -0.530 174.054 174.600 -0.026 0.000 1.093 80 S CA -0.621 57.544 58.200 -0.058 0.000 1.129 80 S CB -0.258 62.911 63.200 -0.053 0.000 0.989 80 S HN 0.378 nan 8.310 nan 0.000 0.479 81 L N 4.384 125.598 121.223 -0.016 0.000 2.334 81 L HA 0.497 4.834 4.340 -0.006 0.000 0.276 81 L C 0.623 177.524 176.870 0.051 0.000 1.014 81 L CA -1.168 53.692 54.840 0.032 0.000 0.815 81 L CB 1.180 43.260 42.059 0.034 0.000 1.268 81 L HN 0.581 nan 8.230 nan 0.000 0.428 82 H N 3.914 122.993 119.070 0.015 0.000 2.928 82 H HA 0.060 4.613 4.556 -0.005 0.000 0.338 82 H C -1.944 173.406 175.328 0.037 0.000 1.047 82 H CA -1.146 54.913 56.048 0.019 0.000 1.435 82 H CB 1.734 31.508 29.762 0.020 0.000 1.428 82 H HN 0.339 nan 8.280 nan 0.000 0.590 83 P HA -0.072 nan 4.420 nan 0.000 0.221 83 P C 1.041 178.524 177.300 0.305 0.000 1.145 83 P CA 1.568 64.690 63.100 0.037 0.000 0.795 83 P CB 0.087 31.737 31.700 -0.083 0.000 0.775 84 G N -1.366 107.746 108.800 0.520 0.000 3.141 84 G HA2 -0.009 3.947 3.960 -0.006 0.000 0.218 84 G HA3 -0.009 3.947 3.960 -0.006 0.000 0.218 84 G C 0.224 175.209 174.900 0.141 0.000 1.170 84 G CA -0.078 45.161 45.100 0.231 0.000 0.769 84 G HN 0.139 nan 8.290 nan 0.000 0.546 85 S N 1.066 116.914 115.700 0.247 0.000 2.626 85 S HA 0.044 4.511 4.470 -0.006 0.000 0.303 85 S C 1.901 176.610 174.600 0.180 0.000 1.256 85 S CA 0.456 58.756 58.200 0.168 0.000 1.069 85 S CB 1.049 64.338 63.200 0.150 0.000 0.807 85 S HN 0.590 nan 8.310 nan 0.000 0.500 86 S N 3.151 118.919 115.700 0.114 0.000 2.440 86 S HA -0.158 4.308 4.470 -0.006 0.000 0.238 86 S C 1.779 176.437 174.600 0.097 0.000 1.010 86 S CA 0.650 58.919 58.200 0.114 0.000 0.972 86 S CB -0.358 62.938 63.200 0.160 0.000 0.774 86 S HN 0.822 nan 8.310 nan 0.000 0.501 87 A N 1.356 124.232 122.820 0.094 0.000 2.066 87 A HA 0.325 4.641 4.320 -0.006 0.000 0.218 87 A C 2.133 179.735 177.584 0.031 0.000 1.157 87 A CA 0.835 52.919 52.037 0.079 0.000 0.670 87 A CB -0.516 18.545 19.000 0.101 0.000 0.804 87 A HN 0.577 nan 8.150 nan 0.000 0.453 88 L N -2.011 119.206 121.223 -0.009 0.000 2.416 88 L HA 0.073 4.409 4.340 -0.006 0.000 0.216 88 L C 2.243 178.893 176.870 -0.368 0.000 1.098 88 L CA 0.479 55.224 54.840 -0.158 0.000 0.840 88 L CB -0.328 41.614 42.059 -0.195 0.000 0.981 88 L HN 0.442 nan 8.230 nan 0.000 0.462 89 H N -1.594 117.311 119.070 -0.276 0.000 2.422 89 H HA 0.116 4.674 4.556 0.004 0.000 0.303 89 H C 0.668 175.662 175.328 -0.557 0.000 1.033 89 H CA 0.873 56.584 56.048 -0.563 0.000 1.335 89 H CB 0.510 29.642 29.762 -1.049 0.000 1.458 89 H HN 0.280 nan 8.280 nan 0.000 0.556 90 Y N 0.024 120.420 120.300 0.160 0.000 2.696 90 Y HA 0.471 5.013 4.550 -0.013 0.000 0.260 90 Y C 0.979 176.921 175.900 0.070 0.000 1.165 90 Y CA 0.033 58.189 58.100 0.094 0.000 1.189 90 Y CB 0.834 39.339 38.460 0.075 0.000 1.180 90 Y HN 0.142 nan 8.280 nan 0.000 0.538 91 A N 0.122 123.024 122.820 0.136 0.000 2.745 91 A HA -0.207 4.110 4.320 -0.006 0.000 0.296 91 A C -0.067 177.586 177.584 0.115 0.000 1.500 91 A CA 0.656 52.764 52.037 0.118 0.000 0.766 91 A CB -2.288 16.787 19.000 0.124 0.000 1.030 91 A HN 0.212 nan 8.150 nan 0.000 0.489 92 V N 1.389 121.367 119.914 0.108 0.000 2.326 92 V HA 0.489 4.606 4.120 -0.006 0.000 0.249 92 V C 0.460 176.577 176.094 0.039 0.000 1.114 92 V CA 1.011 63.347 62.300 0.060 0.000 1.028 92 V CB -0.361 31.496 31.823 0.056 0.000 1.170 92 V HN 0.868 nan 8.190 nan 0.000 0.494 93 E N 5.269 125.498 120.200 0.049 0.000 2.422 93 E HA 0.760 5.106 4.350 -0.006 0.000 0.280 93 E C -1.675 174.992 176.600 0.112 0.000 1.091 93 E CA -1.182 55.266 56.400 0.080 0.000 0.849 93 E CB 2.314 32.093 29.700 0.132 0.000 1.353 93 E HN 0.300 nan 8.360 nan 0.000 0.449 94 L N -1.577 119.742 121.223 0.160 0.000 2.775 94 L HA 0.862 5.199 4.340 -0.006 0.000 0.263 94 L C -1.356 175.657 176.870 0.238 0.000 1.017 94 L CA -0.802 54.140 54.840 0.170 0.000 0.891 94 L CB 1.288 43.398 42.059 0.085 0.000 1.482 94 L HN 0.778 nan 8.230 nan 0.000 0.410 95 F N -2.046 117.914 119.950 0.017 0.000 2.754 95 F HA 1.001 5.524 4.527 -0.007 0.000 0.320 95 F C -0.913 174.881 175.800 -0.011 0.000 1.156 95 F CA -0.508 57.473 58.000 -0.032 0.000 0.950 95 F CB 1.581 40.543 39.000 -0.064 0.000 1.388 95 F HN 0.615 nan 8.300 nan 0.000 0.485 96 E N -0.354 119.908 120.200 0.104 0.000 2.433 96 E HA 0.629 4.976 4.350 -0.006 0.000 0.278 96 E C -1.458 175.218 176.600 0.126 0.000 0.976 96 E CA -0.951 55.450 56.400 0.001 0.000 0.793 96 E CB 2.166 31.847 29.700 -0.032 0.000 1.311 96 E HN 1.077 nan 8.360 nan 0.000 0.460 97 G N 1.331 110.172 108.800 0.068 0.000 2.719 97 G HA2 0.595 4.551 3.960 -0.006 0.000 0.284 97 G HA3 0.595 4.551 3.960 -0.006 0.000 0.284 97 G C -0.969 173.906 174.900 -0.043 0.000 1.488 97 G CA -0.509 44.568 45.100 -0.038 0.000 1.139 97 G HN 0.304 nan 8.290 nan 0.000 0.552 98 L N -1.251 119.840 121.223 -0.219 0.000 2.403 98 L HA 0.913 5.249 4.340 -0.006 0.000 0.253 98 L C -0.822 175.983 176.870 -0.108 0.000 1.045 98 L CA -1.379 53.434 54.840 -0.046 0.000 0.845 98 L CB 2.236 44.289 42.059 -0.011 0.000 1.447 98 L HN 0.272 nan 8.230 nan 0.000 0.411 99 K N 0.322 120.712 120.400 -0.016 0.000 2.395 99 K HA 0.865 5.181 4.320 -0.006 0.000 0.247 99 K C -1.249 175.194 176.600 -0.261 0.000 0.973 99 K CA -0.775 55.382 56.287 -0.217 0.000 0.828 99 K CB 2.430 34.649 32.500 -0.468 0.000 1.272 99 K HN 0.823 nan 8.250 nan 0.000 0.439 100 A N 2.003 124.585 122.820 -0.397 0.000 2.331 100 A HA 0.744 5.061 4.320 -0.006 0.000 0.320 100 A C -1.373 175.941 177.584 -0.450 0.000 1.138 100 A CA -0.551 51.350 52.037 -0.226 0.000 0.790 100 A CB 0.178 19.112 19.000 -0.111 0.000 1.206 100 A HN 0.532 nan 8.150 nan 0.000 0.470 101 F N 0.971 120.853 119.950 -0.113 0.000 2.507 101 F HA 0.512 5.036 4.527 -0.006 0.000 0.325 101 F C 0.753 176.492 175.800 -0.102 0.000 1.116 101 F CA -0.511 57.350 58.000 -0.232 0.000 0.930 101 F CB 1.980 40.601 39.000 -0.633 0.000 1.146 101 F HN 0.637 nan 8.300 nan 0.000 0.447 102 R N 2.547 123.140 120.500 0.155 0.000 2.419 102 R HA 0.400 4.737 4.340 -0.006 0.000 0.305 102 R C 0.430 176.890 176.300 0.267 0.000 1.242 102 R CA -0.235 55.941 56.100 0.127 0.000 1.105 102 R CB -0.143 30.158 30.300 0.002 0.000 1.116 102 R HN 0.902 nan 8.270 nan 0.000 0.523 103 G N 1.180 110.114 108.800 0.225 0.000 2.716 103 G HA2 0.005 3.962 3.960 -0.006 0.000 0.251 103 G HA3 0.005 3.962 3.960 -0.006 0.000 0.251 103 G C 1.211 176.230 174.900 0.198 0.000 1.224 103 G CA -0.073 45.182 45.100 0.259 0.000 0.891 103 G HN 0.505 nan 8.290 nan 0.000 0.561 104 V N -1.483 118.528 119.914 0.163 0.000 2.594 104 V HA -0.098 4.019 4.120 -0.006 0.000 0.253 104 V C 1.765 177.912 176.094 0.088 0.000 1.069 104 V CA 2.236 64.597 62.300 0.101 0.000 1.082 104 V CB -0.610 31.253 31.823 0.068 0.000 0.680 104 V HN 0.730 nan 8.190 nan 0.000 0.469 105 D N 0.015 120.467 120.400 0.088 0.000 2.325 105 D HA -0.071 4.566 4.640 -0.006 0.000 0.234 105 D C 1.074 177.423 176.300 0.081 0.000 1.122 105 D CA 0.421 54.464 54.000 0.072 0.000 0.850 105 D CB -0.828 40.009 40.800 0.061 0.000 0.921 105 D HN 0.608 nan 8.370 nan 0.000 0.513 106 N N 0.776 119.536 118.700 0.101 0.000 2.708 106 N HA -0.145 4.591 4.740 -0.006 0.000 0.251 106 N C -0.917 174.644 175.510 0.085 0.000 1.123 106 N CA 0.626 53.741 53.050 0.108 0.000 0.739 106 N CB -0.465 38.096 38.487 0.124 0.000 1.113 106 N HN 0.209 nan 8.380 nan 0.000 0.561 107 K N 1.267 121.716 120.400 0.081 0.000 2.234 107 K HA 0.368 4.685 4.320 -0.006 0.000 0.277 107 K C 0.528 177.169 176.600 0.069 0.000 1.038 107 K CA -0.541 55.786 56.287 0.067 0.000 0.888 107 K CB 0.822 33.359 32.500 0.063 0.000 1.091 107 K HN 0.213 nan 8.250 nan 0.000 0.467 108 I N 4.258 124.859 120.570 0.051 0.000 2.587 108 I HA 0.038 4.205 4.170 -0.006 0.000 0.284 108 I C 0.713 176.871 176.117 0.068 0.000 1.134 108 I CA 0.378 61.707 61.300 0.047 0.000 1.410 108 I CB 0.245 38.257 38.000 0.019 0.000 1.392 108 I HN 0.209 nan 8.210 nan 0.000 0.545 109 R N 6.420 126.982 120.500 0.102 0.000 2.750 109 R HA 0.709 5.045 4.340 -0.006 0.000 0.281 109 R C -1.150 175.260 176.300 0.184 0.000 0.972 109 R CA -1.030 55.149 56.100 0.131 0.000 0.912 109 R CB 2.290 32.674 30.300 0.140 0.000 1.187 109 R HN 0.486 nan 8.270 nan 0.000 0.464 110 L N 1.745 123.067 121.223 0.165 0.000 2.334 110 L HA 0.525 4.861 4.340 -0.006 0.000 0.272 110 L C -0.796 176.239 176.870 0.276 0.000 1.020 110 L CA -0.810 54.142 54.840 0.186 0.000 0.812 110 L CB 1.154 43.268 42.059 0.091 0.000 1.264 110 L HN 0.473 nan 8.230 nan 0.000 0.439 111 F N 2.461 122.500 119.950 0.148 0.000 2.427 111 F HA 0.275 4.798 4.527 -0.006 0.000 0.348 111 F C 0.433 176.258 175.800 0.042 0.000 1.125 111 F CA -0.446 57.628 58.000 0.122 0.000 0.989 111 F CB 0.734 39.843 39.000 0.181 0.000 1.165 111 F HN 0.523 nan 8.300 nan 0.000 0.442 112 Q N 4.155 123.637 119.800 -0.531 0.000 2.435 112 Q HA -0.219 4.117 4.340 -0.006 0.000 0.286 112 Q C -1.799 174.079 176.000 -0.203 0.000 1.229 112 Q CA 0.787 56.299 55.803 -0.486 0.000 0.884 112 Q CB -1.335 26.918 28.738 -0.807 0.000 1.245 112 Q HN 0.566 nan 8.270 nan 0.000 0.488 113 P HA -0.180 nan 4.420 nan 0.000 0.216 113 P C 1.156 178.428 177.300 -0.048 0.000 1.153 113 P CA 1.179 64.257 63.100 -0.038 0.000 0.858 113 P CB 0.014 31.707 31.700 -0.012 0.000 0.789 114 N N -0.628 118.033 118.700 -0.065 0.000 2.205 114 N HA -0.122 4.615 4.740 -0.006 0.000 0.186 114 N C 1.686 177.155 175.510 -0.068 0.000 1.015 114 N CA 1.070 54.084 53.050 -0.060 0.000 0.862 114 N CB -0.623 37.822 38.487 -0.069 0.000 0.986 114 N HN 0.254 nan 8.380 nan 0.000 0.429 115 L N 0.857 122.022 121.223 -0.096 0.000 2.109 115 L HA -0.053 4.284 4.340 -0.006 0.000 0.207 115 L C 1.895 178.736 176.870 -0.049 0.000 1.086 115 L CA 0.710 55.496 54.840 -0.090 0.000 0.760 115 L CB -0.388 41.589 42.059 -0.137 0.000 0.910 115 L HN 0.141 nan 8.230 nan 0.000 0.437 116 N N -0.041 118.637 118.700 -0.036 0.000 2.188 116 N HA -0.134 4.602 4.740 -0.006 0.000 0.184 116 N C 1.830 177.358 175.510 0.030 0.000 1.018 116 N CA 1.224 54.271 53.050 -0.007 0.000 0.858 116 N CB -0.026 38.458 38.487 -0.006 0.000 0.989 116 N HN 0.288 nan 8.380 nan 0.000 0.426 117 M N 0.908 120.530 119.600 0.036 0.000 2.254 117 M HA -0.061 4.415 4.480 -0.006 0.000 0.265 117 M C 1.073 177.424 176.300 0.086 0.000 1.066 117 M CA 1.058 56.419 55.300 0.103 0.000 1.123 117 M CB -0.801 31.844 32.600 0.076 0.000 1.388 117 M HN -0.000 nan 8.290 nan 0.000 0.425 118 D N -0.208 120.198 120.400 0.011 0.000 2.123 118 D HA -0.113 4.523 4.640 -0.006 0.000 0.200 118 D C 2.136 178.464 176.300 0.046 0.000 0.976 118 D CA 0.988 54.980 54.000 -0.014 0.000 0.831 118 D CB -0.202 40.566 40.800 -0.054 0.000 0.974 118 D HN 0.331 nan 8.370 nan 0.000 0.469 119 R N 0.038 120.559 120.500 0.036 0.000 2.073 119 R HA 0.033 4.370 4.340 -0.006 0.000 0.229 119 R C 2.315 178.658 176.300 0.071 0.000 1.120 119 R CA 0.619 56.739 56.100 0.034 0.000 0.967 119 R CB -0.151 30.147 30.300 -0.003 0.000 0.862 119 R HN 0.079 nan 8.270 nan 0.000 0.436 120 M N -0.477 119.191 119.600 0.114 0.000 2.159 120 M HA -0.229 4.247 4.480 -0.006 0.000 0.263 120 M C 1.785 178.244 176.300 0.266 0.000 1.063 120 M CA 1.684 57.095 55.300 0.185 0.000 1.110 120 M CB -0.186 32.560 32.600 0.243 0.000 1.374 120 M HN 0.258 nan 8.290 nan 0.000 0.411 121 Y N 0.612 120.965 120.300 0.089 0.000 2.145 121 Y HA -0.288 4.259 4.550 -0.004 0.000 0.286 121 Y C 2.576 178.459 175.900 -0.029 0.000 1.145 121 Y CA 3.030 61.083 58.100 -0.078 0.000 1.148 121 Y CB -0.566 37.721 38.460 -0.288 0.000 0.981 121 Y HN 0.257 nan 8.280 nan 0.000 0.507 122 R N -0.176 120.430 120.500 0.176 0.000 2.120 122 R HA -0.092 4.245 4.340 -0.006 0.000 0.234 122 R C 2.235 178.541 176.300 0.010 0.000 1.123 122 R CA 1.837 57.990 56.100 0.088 0.000 0.975 122 R CB -1.642 28.702 30.300 0.074 0.000 0.866 122 R HN 0.475 nan 8.270 nan 0.000 0.446 123 S N 0.185 115.900 115.700 0.026 0.000 2.395 123 S HA 0.099 4.566 4.470 -0.006 0.000 0.225 123 S C 2.577 177.172 174.600 -0.009 0.000 1.027 123 S CA 0.754 58.960 58.200 0.011 0.000 0.965 123 S CB -0.161 63.052 63.200 0.022 0.000 0.812 123 S HN 0.804 nan 8.310 nan 0.000 0.482 124 A N 1.122 123.953 122.820 0.019 0.000 1.972 124 A HA -0.043 4.273 4.320 -0.006 0.000 0.219 124 A C 2.271 179.769 177.584 -0.144 0.000 1.169 124 A CA 1.347 53.373 52.037 -0.018 0.000 0.635 124 A CB -0.758 18.369 19.000 0.212 0.000 0.810 124 A HN 0.345 nan 8.150 nan 0.000 0.446 125 V N -0.392 119.416 119.914 -0.177 0.000 2.379 125 V HA -0.155 3.962 4.120 -0.006 0.000 0.245 125 V C 2.602 178.638 176.094 -0.098 0.000 1.044 125 V CA 2.162 64.364 62.300 -0.164 0.000 1.036 125 V CB -0.641 31.086 31.823 -0.159 0.000 0.664 125 V HN 0.594 nan 8.190 nan 0.000 0.453 126 R N 0.805 121.264 120.500 -0.069 0.000 2.235 126 R HA 0.041 4.378 4.340 -0.006 0.000 0.213 126 R C 1.737 178.007 176.300 -0.049 0.000 1.059 126 R CA 1.361 57.434 56.100 -0.045 0.000 0.997 126 R CB -0.448 29.836 30.300 -0.026 0.000 0.884 126 R HN 0.464 nan 8.270 nan 0.000 0.462 127 A N -0.896 121.881 122.820 -0.072 0.000 2.267 127 A HA 0.144 4.461 4.320 -0.006 0.000 0.213 127 A C 0.702 178.218 177.584 -0.113 0.000 1.192 127 A CA 0.771 52.760 52.037 -0.080 0.000 0.851 127 A CB -0.243 18.700 19.000 -0.095 0.000 0.881 127 A HN 0.518 nan 8.150 nan 0.000 0.494 128 T N -2.999 111.479 114.554 -0.126 0.000 4.886 128 T HA -0.176 4.170 4.350 -0.006 0.000 0.295 128 T C -0.048 174.522 174.700 -0.216 0.000 1.495 128 T CA 1.095 63.114 62.100 -0.135 0.000 2.670 128 T CB -2.850 65.965 68.868 -0.089 0.000 1.686 128 T HN 0.375 nan 8.240 nan 0.000 0.981 129 L N 1.640 122.679 121.223 -0.307 0.000 2.399 129 L HA 0.533 4.870 4.340 -0.006 0.000 0.266 129 L C -1.476 175.145 176.870 -0.416 0.000 1.114 129 L CA -2.666 51.861 54.840 -0.521 0.000 0.804 129 L CB 0.664 42.158 42.059 -0.942 0.000 1.146 129 L HN 0.070 nan 8.230 nan 0.000 0.451 130 P HA 0.008 nan 4.420 nan 0.000 0.263 130 P C -0.331 177.069 177.300 0.167 0.000 1.195 130 P CA -0.123 62.685 63.100 -0.487 0.000 0.762 130 P CB 0.606 31.283 31.700 -1.704 0.000 0.799 131 V N 2.674 122.624 119.914 0.061 0.000 3.237 131 V HA 0.503 4.620 4.120 -0.006 0.000 0.305 131 V C 0.093 176.422 176.094 0.391 0.000 1.096 131 V CA 0.066 62.369 62.300 0.005 0.000 1.130 131 V CB -0.550 31.156 31.823 -0.195 0.000 1.048 131 V HN 0.584 nan 8.190 nan 0.000 0.484 132 F N -1.199 118.871 119.950 0.199 0.000 2.745 132 F HA 0.596 5.118 4.527 -0.007 0.000 0.316 132 F C -0.724 175.039 175.800 -0.062 0.000 1.155 132 F CA -1.250 56.709 58.000 -0.068 0.000 0.937 132 F CB 1.379 40.114 39.000 -0.441 0.000 1.361 132 F HN 0.632 nan 8.300 nan 0.000 0.472 133 D N 1.561 121.873 120.400 -0.147 0.000 2.316 133 D HA 0.183 4.820 4.640 -0.006 0.000 0.245 133 D C 0.370 176.661 176.300 -0.016 0.000 1.171 133 D CA -0.093 53.809 54.000 -0.164 0.000 0.856 133 D CB 1.495 42.178 40.800 -0.194 0.000 1.090 133 D HN 0.687 nan 8.370 nan 0.000 0.476 134 K N 2.605 122.952 120.400 -0.089 0.000 2.063 134 K HA -0.166 4.150 4.320 -0.006 0.000 0.208 134 K C 1.584 178.210 176.600 0.043 0.000 1.048 134 K CA 1.023 57.352 56.287 0.070 0.000 0.928 134 K CB 0.269 32.720 32.500 -0.083 0.000 0.713 134 K HN 0.454 nan 8.250 nan 0.000 0.442 135 E N 1.157 121.335 120.200 -0.036 0.000 2.051 135 E HA -0.190 4.156 4.350 -0.006 0.000 0.192 135 E C 1.958 178.547 176.600 -0.020 0.000 0.991 135 E CA 1.154 57.534 56.400 -0.033 0.000 0.799 135 E CB -0.187 29.482 29.700 -0.052 0.000 0.748 135 E HN 0.328 nan 8.360 nan 0.000 0.449 136 E N 1.123 121.291 120.200 -0.053 0.000 2.058 136 E HA -0.140 4.206 4.350 -0.006 0.000 0.194 136 E C 2.368 179.005 176.600 0.060 0.000 0.997 136 E CA 0.403 56.776 56.400 -0.046 0.000 0.801 136 E CB -0.539 29.037 29.700 -0.207 0.000 0.746 136 E HN 0.238 nan 8.360 nan 0.000 0.450 137 L N 0.654 121.920 121.223 0.072 0.000 1.994 137 L HA -0.188 4.148 4.340 -0.006 0.000 0.208 137 L C 2.558 179.456 176.870 0.048 0.000 1.071 137 L CA 1.023 55.945 54.840 0.136 0.000 0.745 137 L CB -0.268 41.800 42.059 0.016 0.000 0.892 137 L HN 0.161 nan 8.230 nan 0.000 0.431 138 L N 0.390 121.637 121.223 0.040 0.000 2.079 138 L HA -0.253 4.084 4.340 -0.006 0.000 0.210 138 L C 2.334 179.208 176.870 0.006 0.000 1.081 138 L CA 2.113 56.961 54.840 0.014 0.000 0.752 138 L CB -0.626 41.441 42.059 0.012 0.000 0.896 138 L HN 0.328 nan 8.230 nan 0.000 0.433 139 E N -1.151 119.057 120.200 0.013 0.000 2.107 139 E HA -0.159 4.187 4.350 -0.006 0.000 0.191 139 E C 2.217 178.821 176.600 0.006 0.000 0.982 139 E CA 1.674 58.079 56.400 0.008 0.000 0.809 139 E CB -0.657 29.049 29.700 0.009 0.000 0.756 139 E HN 0.572 nan 8.360 nan 0.000 0.459 140 C N 0.214 119.525 119.300 0.018 0.000 2.425 140 C HA -0.026 4.430 4.460 -0.006 0.000 0.277 140 C C 2.596 177.566 174.990 -0.033 0.000 1.280 140 C CA 0.639 59.652 59.018 -0.008 0.000 1.744 140 C CB -0.989 26.742 27.740 -0.016 0.000 1.989 140 C HN 0.485 nan 8.230 nan 0.000 0.491 141 I N 0.362 120.912 120.570 -0.033 0.000 2.286 141 I HA -0.237 3.929 4.170 -0.006 0.000 0.248 141 I C 2.707 178.807 176.117 -0.029 0.000 1.115 141 I CA 1.295 62.570 61.300 -0.042 0.000 1.392 141 I CB -0.587 37.385 38.000 -0.047 0.000 1.065 141 I HN 0.448 nan 8.210 nan 0.000 0.418 142 Q N 0.524 120.314 119.800 -0.017 0.000 2.061 142 Q HA -0.233 4.104 4.340 -0.006 0.000 0.204 142 Q C 2.244 178.236 176.000 -0.013 0.000 0.984 142 Q CA 1.391 57.188 55.803 -0.010 0.000 0.846 142 Q CB -0.377 28.359 28.738 -0.004 0.000 0.902 142 Q HN 0.592 nan 8.270 nan 0.000 0.421 143 Q N 0.429 120.218 119.800 -0.019 0.000 2.084 143 Q HA -0.099 4.238 4.340 -0.006 0.000 0.202 143 Q C 2.171 178.149 176.000 -0.037 0.000 0.978 143 Q CA 0.671 56.458 55.803 -0.026 0.000 0.844 143 Q CB -0.502 28.218 28.738 -0.030 0.000 0.898 143 Q HN 0.326 nan 8.270 nan 0.000 0.426 144 L N 0.825 122.026 121.223 -0.038 0.000 2.083 144 L HA -0.113 4.223 4.340 -0.006 0.000 0.209 144 L C 2.091 178.946 176.870 -0.025 0.000 1.083 144 L CA 1.342 56.159 54.840 -0.039 0.000 0.752 144 L CB -0.448 41.591 42.059 -0.033 0.000 0.899 144 L HN 0.019 nan 8.230 nan 0.000 0.433 145 V N 0.192 120.096 119.914 -0.016 0.000 2.591 145 V HA -0.212 3.905 4.120 -0.006 0.000 0.249 145 V C 2.622 178.725 176.094 0.016 0.000 1.053 145 V CA 1.606 63.906 62.300 0.001 0.000 1.068 145 V CB -0.564 31.254 31.823 -0.008 0.000 0.689 145 V HN 0.447 nan 8.190 nan 0.000 0.462 146 K N 0.204 120.605 120.400 0.002 0.000 2.026 146 K HA -0.140 4.176 4.320 -0.006 0.000 0.208 146 K C 2.239 178.845 176.600 0.010 0.000 1.048 146 K CA 1.439 57.730 56.287 0.007 0.000 0.929 146 K CB -0.182 32.316 32.500 -0.003 0.000 0.713 146 K HN 0.383 nan 8.250 nan 0.000 0.439 147 L N 0.902 122.110 121.223 -0.024 0.000 2.046 147 L HA -0.181 4.156 4.340 -0.006 0.000 0.208 147 L C 0.661 177.548 176.870 0.029 0.000 1.077 147 L CA 1.659 56.464 54.840 -0.058 0.000 0.747 147 L CB -0.084 41.852 42.059 -0.204 0.000 0.896 147 L HN 0.231 nan 8.230 nan 0.000 0.432 148 D N -0.958 119.496 120.400 0.090 0.000 2.395 148 D HA -0.035 4.601 4.640 -0.006 0.000 0.226 148 D C 1.787 178.258 176.300 0.286 0.000 1.146 148 D CA 0.040 54.214 54.000 0.290 0.000 0.830 148 D CB 0.327 41.264 40.800 0.228 0.000 0.958 148 D HN 0.533 nan 8.370 nan 0.000 0.501 149 Q N 0.362 120.249 119.800 0.145 0.000 2.248 149 Q HA -0.194 4.142 4.340 -0.006 0.000 0.208 149 Q C 0.962 177.001 176.000 0.065 0.000 0.984 149 Q CA 1.062 56.916 55.803 0.084 0.000 0.875 149 Q CB -0.081 28.684 28.738 0.044 0.000 0.910 149 Q HN 0.056 nan 8.270 nan 0.000 0.433 150 E N 0.252 120.514 120.200 0.104 0.000 2.338 150 E HA -0.138 4.208 4.350 -0.006 0.000 0.197 150 E C 1.119 177.692 176.600 -0.045 0.000 1.007 150 E CA 0.750 57.173 56.400 0.037 0.000 0.849 150 E CB -0.171 29.544 29.700 0.025 0.000 0.774 150 E HN 0.613 nan 8.360 nan 0.000 0.506 151 W N 0.789 122.099 121.300 0.016 0.000 2.584 151 W HA -0.012 4.645 4.660 -0.005 0.000 0.264 151 W C 0.649 177.143 176.519 -0.041 0.000 1.264 151 W CA 0.064 57.416 57.345 0.013 0.000 1.306 151 W CB -0.054 29.421 29.460 0.025 0.000 1.110 151 W HN -0.291 nan 8.180 nan 0.000 0.606 152 V N 3.805 123.772 119.914 0.089 0.000 2.420 152 V HA -0.037 4.079 4.120 -0.006 0.000 0.274 152 V C -1.802 174.216 176.094 -0.127 0.000 1.003 152 V CA -1.295 60.988 62.300 -0.028 0.000 1.092 152 V CB -0.707 31.065 31.823 -0.085 0.000 1.002 152 V HN -0.261 nan 8.190 nan 0.000 0.473 153 P HA -0.111 nan 4.420 nan 0.000 0.257 153 P C -0.561 176.724 177.300 -0.024 0.000 1.153 153 P CA 0.526 63.636 63.100 0.018 0.000 0.762 153 P CB -0.014 31.737 31.700 0.085 0.000 0.743 154 Y N 2.688 123.023 120.300 0.058 0.000 2.623 154 Y HA 0.280 4.826 4.550 -0.006 0.000 0.341 154 Y C 1.400 177.331 175.900 0.052 0.000 1.292 154 Y CA 0.718 58.850 58.100 0.054 0.000 1.840 154 Y CB -0.141 38.331 38.460 0.020 0.000 1.865 154 Y HN 0.315 nan 8.280 nan 0.000 0.440 155 S N -0.318 115.481 115.700 0.165 0.000 3.341 155 S HA 0.503 4.970 4.470 -0.006 0.000 0.326 155 S C 0.400 175.034 174.600 0.056 0.000 1.178 155 S CA 0.177 58.441 58.200 0.106 0.000 1.002 155 S CB 1.777 65.036 63.200 0.098 0.000 1.385 155 S HN 0.204 nan 8.310 nan 0.000 0.710 156 T N 0.007 114.521 114.554 -0.067 0.000 3.328 156 T HA 0.263 4.609 4.350 -0.006 0.000 0.297 156 T C 0.557 174.968 174.700 -0.481 0.000 0.882 156 T CA 0.752 62.589 62.100 -0.438 0.000 0.906 156 T CB -0.465 68.183 68.868 -0.367 0.000 1.210 156 T HN 0.710 nan 8.240 nan 0.000 0.631 157 S N -0.117 115.524 115.700 -0.099 0.000 2.603 157 S HA 0.771 5.238 4.470 -0.006 0.000 0.232 157 S C 0.538 175.233 174.600 0.158 0.000 1.016 157 S CA 0.063 58.271 58.200 0.012 0.000 0.976 157 S CB 0.798 63.994 63.200 -0.007 0.000 0.921 157 S HN 0.528 nan 8.310 nan 0.000 0.516 158 A N 1.452 124.399 122.820 0.212 0.000 2.387 158 A HA 0.970 5.286 4.320 -0.006 0.000 0.298 158 A C -0.010 177.739 177.584 0.276 0.000 1.165 158 A CA -0.283 51.882 52.037 0.214 0.000 0.814 158 A CB 1.573 20.657 19.000 0.141 0.000 1.357 158 A HN 0.953 nan 8.150 nan 0.000 0.443 159 S N -1.306 114.464 115.700 0.117 0.000 2.757 159 S HA 0.672 5.139 4.470 -0.006 0.000 0.285 159 S C -1.798 172.755 174.600 -0.078 0.000 1.196 159 S CA -0.527 57.622 58.200 -0.084 0.000 0.856 159 S CB 0.765 63.706 63.200 -0.431 0.000 1.212 159 S HN 1.548 nan 8.310 nan 0.000 0.516 160 L N 1.854 122.970 121.223 -0.178 0.000 2.316 160 L HA 0.580 4.916 4.340 -0.006 0.000 0.280 160 L C -1.369 175.468 176.870 -0.055 0.000 1.006 160 L CA -0.609 54.191 54.840 -0.067 0.000 0.836 160 L CB 0.927 42.955 42.059 -0.053 0.000 1.221 160 L HN 0.800 nan 8.230 nan 0.000 0.418 161 Y N 5.744 125.977 120.300 -0.112 0.000 2.402 161 Y HA 0.448 4.994 4.550 -0.006 0.000 0.333 161 Y C -0.197 175.671 175.900 -0.054 0.000 1.076 161 Y CA -0.232 57.824 58.100 -0.073 0.000 1.299 161 Y CB 0.490 38.898 38.460 -0.085 0.000 1.197 161 Y HN 0.489 nan 8.280 nan 0.000 0.517 162 I N 7.688 127.923 120.570 -0.559 0.000 2.330 162 I HA 0.293 4.460 4.170 -0.006 0.000 0.289 162 I C -0.439 175.346 176.117 -0.552 0.000 1.001 162 I CA -0.871 60.187 61.300 -0.404 0.000 1.193 162 I CB 1.120 38.975 38.000 -0.242 0.000 1.345 162 I HN 0.411 nan 8.210 nan 0.000 0.461 163 R N 9.058 129.375 120.500 -0.305 0.000 2.332 163 R HA 0.484 4.821 4.340 -0.006 0.000 0.306 163 R C -2.867 173.362 176.300 -0.119 0.000 1.117 163 R CA -2.281 53.721 56.100 -0.163 0.000 1.108 163 R CB 0.519 30.843 30.300 0.041 0.000 1.126 163 R HN 0.181 nan 8.270 nan 0.000 0.548 164 P HA 0.309 nan 4.420 nan 0.000 0.279 164 P C -1.151 176.016 177.300 -0.222 0.000 1.239 164 P CA -0.170 62.817 63.100 -0.188 0.000 0.789 164 P CB 1.574 33.189 31.700 -0.142 0.000 0.933 165 T N 2.962 117.226 114.554 -0.484 0.000 2.921 165 T HA 0.508 4.854 4.350 -0.006 0.000 0.297 165 T C -1.387 173.115 174.700 -0.330 0.000 1.013 165 T CA -0.182 61.590 62.100 -0.546 0.000 0.990 165 T CB 0.675 68.751 68.868 -1.320 0.000 1.023 165 T HN 0.084 nan 8.240 nan 0.000 0.447 166 F N 4.962 124.808 119.950 -0.174 0.000 2.507 166 F HA 0.722 5.246 4.527 -0.005 0.000 0.328 166 F C -0.789 175.046 175.800 0.058 0.000 1.136 166 F CA -2.308 55.679 58.000 -0.020 0.000 0.930 166 F CB 0.687 39.702 39.000 0.024 0.000 1.166 166 F HN 0.597 nan 8.300 nan 0.000 0.436 167 I N 1.858 122.649 120.570 0.368 0.000 2.828 167 I HA 0.863 5.030 4.170 -0.006 0.000 0.302 167 I C -0.133 176.054 176.117 0.115 0.000 1.101 167 I CA -1.159 60.252 61.300 0.185 0.000 1.031 167 I CB 2.225 40.381 38.000 0.260 0.000 1.231 167 I HN 0.623 nan 8.210 nan 0.000 0.427 168 G N 1.618 110.447 108.800 0.048 0.000 2.353 168 G HA2 0.474 4.431 3.960 -0.006 0.000 0.284 168 G HA3 0.474 4.431 3.960 -0.006 0.000 0.284 168 G C 0.311 175.275 174.900 0.106 0.000 1.172 168 G CA -0.174 44.956 45.100 0.050 0.000 0.854 168 G HN 0.869 nan 8.290 nan 0.000 0.485 169 T N -0.738 113.890 114.554 0.124 0.000 3.266 169 T HA 0.229 4.575 4.350 -0.006 0.000 0.278 169 T C 0.255 175.003 174.700 0.080 0.000 1.010 169 T CA -0.511 61.659 62.100 0.116 0.000 0.909 169 T CB 0.488 69.435 68.868 0.131 0.000 1.122 169 T HN 0.375 nan 8.240 nan 0.000 0.536 170 E N 3.958 124.199 120.200 0.068 0.000 2.406 170 E HA 0.089 4.435 4.350 -0.006 0.000 0.258 170 E C -1.372 175.204 176.600 -0.041 0.000 1.043 170 E CA -2.020 54.394 56.400 0.024 0.000 0.929 170 E CB 1.414 31.142 29.700 0.047 0.000 0.969 170 E HN 0.237 nan 8.360 nan 0.000 0.462 171 P HA -0.090 nan 4.420 nan 0.000 0.226 171 P C 0.309 177.430 177.300 -0.300 0.000 1.153 171 P CA 0.451 63.297 63.100 -0.424 0.000 0.777 171 P CB 0.255 31.474 31.700 -0.802 0.000 0.794 172 S N -0.394 115.215 115.700 -0.152 0.000 2.584 172 S HA 0.259 4.725 4.470 -0.006 0.000 0.273 172 S C 1.161 175.734 174.600 -0.044 0.000 1.311 172 S CA -0.711 57.436 58.200 -0.088 0.000 1.034 172 S CB 0.704 63.873 63.200 -0.051 0.000 0.939 172 S HN -0.055 nan 8.310 nan 0.000 0.513 173 L N 1.703 122.905 121.223 -0.035 0.000 2.492 173 L HA 0.201 4.537 4.340 -0.006 0.000 0.223 173 L C 1.667 178.636 176.870 0.165 0.000 1.132 173 L CA 0.114 54.968 54.840 0.022 0.000 0.850 173 L CB -1.099 40.947 42.059 -0.022 0.000 0.966 173 L HN 0.926 nan 8.230 nan 0.000 0.454 174 G N 0.482 109.320 108.800 0.063 0.000 2.441 174 G HA2 0.282 4.238 3.960 -0.006 0.000 0.243 174 G HA3 0.282 4.238 3.960 -0.006 0.000 0.243 174 G C -0.201 174.678 174.900 -0.035 0.000 1.281 174 G CA -0.341 44.761 45.100 0.002 0.000 0.854 174 G HN -0.095 nan 8.290 nan 0.000 0.560 175 V N 4.833 124.613 119.914 -0.224 0.000 2.405 175 V HA 0.433 4.550 4.120 -0.006 0.000 0.264 175 V C 0.351 176.354 176.094 -0.151 0.000 1.048 175 V CA 0.088 62.172 62.300 -0.360 0.000 0.966 175 V CB -0.072 31.427 31.823 -0.540 0.000 1.015 175 V HN 1.019 nan 8.190 nan 0.000 0.477 176 K N 4.262 124.622 120.400 -0.067 0.000 2.735 176 K HA 0.278 4.594 4.320 -0.006 0.000 0.295 176 K C -1.002 175.595 176.600 -0.006 0.000 1.052 176 K CA -1.021 55.244 56.287 -0.037 0.000 0.853 176 K CB 1.130 33.613 32.500 -0.029 0.000 1.535 176 K HN 0.300 nan 8.250 nan 0.000 0.383 177 K N 2.418 122.813 120.400 -0.009 0.000 2.472 177 K HA 0.102 4.418 4.320 -0.006 0.000 0.280 177 K C -1.819 174.798 176.600 0.028 0.000 1.028 177 K CA -0.854 55.431 56.287 -0.004 0.000 1.045 177 K CB 0.124 32.620 32.500 -0.006 0.000 0.902 177 K HN 0.352 nan 8.250 nan 0.000 0.478 178 P HA -0.025 nan 4.420 nan 0.000 0.271 178 P C -0.048 177.370 177.300 0.197 0.000 1.216 178 P CA -0.071 63.079 63.100 0.084 0.000 0.776 178 P CB 1.114 32.847 31.700 0.055 0.000 0.881 179 T N -0.772 113.888 114.554 0.177 0.000 3.105 179 T HA 0.239 4.585 4.350 -0.006 0.000 0.253 179 T C 0.447 175.224 174.700 0.129 0.000 1.047 179 T CA 0.012 62.212 62.100 0.167 0.000 0.944 179 T CB -0.013 68.860 68.868 0.008 0.000 1.016 179 T HN 0.342 nan 8.240 nan 0.000 0.544 180 K N 0.322 120.881 120.400 0.265 0.000 2.543 180 K HA 0.740 5.056 4.320 -0.006 0.000 0.255 180 K C -1.641 175.154 176.600 0.325 0.000 0.934 180 K CA -0.764 55.669 56.287 0.244 0.000 0.810 180 K CB 2.610 35.166 32.500 0.093 0.000 1.315 180 K HN 0.213 nan 8.250 nan 0.000 0.433 181 A N 2.238 125.300 122.820 0.404 0.000 2.609 181 A HA 0.714 5.031 4.320 -0.006 0.000 0.291 181 A C -2.147 175.675 177.584 0.395 0.000 1.096 181 A CA -0.708 51.529 52.037 0.333 0.000 0.684 181 A CB 1.762 20.901 19.000 0.231 0.000 1.282 181 A HN 0.466 nan 8.150 nan 0.000 0.412 182 L N 1.936 123.420 121.223 0.434 0.000 2.410 182 L HA 0.614 4.950 4.340 -0.006 0.000 0.270 182 L C -1.885 175.293 176.870 0.513 0.000 0.983 182 L CA -0.623 54.470 54.840 0.422 0.000 0.822 182 L CB 1.530 43.773 42.059 0.305 0.000 1.285 182 L HN 0.764 nan 8.230 nan 0.000 0.409 183 L N 6.905 128.340 121.223 0.353 0.000 2.305 183 L HA 0.595 4.932 4.340 -0.006 0.000 0.284 183 L C -1.196 175.716 176.870 0.069 0.000 1.013 183 L CA -0.326 54.534 54.840 0.032 0.000 0.819 183 L CB 1.099 42.941 42.059 -0.361 0.000 1.227 183 L HN 0.647 nan 8.230 nan 0.000 0.417 184 F N 4.015 123.921 119.950 -0.072 0.000 2.629 184 F HA 0.855 5.377 4.527 -0.007 0.000 0.316 184 F C -1.304 174.442 175.800 -0.089 0.000 1.081 184 F CA -1.098 56.850 58.000 -0.086 0.000 0.954 184 F CB 1.623 40.596 39.000 -0.045 0.000 1.337 184 F HN 0.034 nan 8.300 nan 0.000 0.474 185 V N 3.286 123.271 119.914 0.119 0.000 2.577 185 V HA 0.492 4.608 4.120 -0.006 0.000 0.303 185 V C -0.515 175.642 176.094 0.105 0.000 1.042 185 V CA -0.679 61.626 62.300 0.007 0.000 0.872 185 V CB 1.709 33.491 31.823 -0.068 0.000 0.998 185 V HN 0.773 nan 8.190 nan 0.000 0.423 186 L N 5.151 126.435 121.223 0.101 0.000 2.330 186 L HA 0.691 5.027 4.340 -0.006 0.000 0.271 186 L C -0.907 176.014 176.870 0.084 0.000 1.013 186 L CA -0.755 54.163 54.840 0.131 0.000 0.816 186 L CB 2.056 44.246 42.059 0.218 0.000 1.287 186 L HN 0.385 nan 8.230 nan 0.000 0.435 187 L N 1.488 122.765 121.223 0.089 0.000 2.362 187 L HA 0.551 4.887 4.340 -0.006 0.000 0.275 187 L C -0.457 176.410 176.870 -0.004 0.000 0.998 187 L CA -0.278 54.566 54.840 0.007 0.000 0.820 187 L CB 2.005 44.024 42.059 -0.066 0.000 1.270 187 L HN 0.548 nan 8.230 nan 0.000 0.415 188 S N 4.444 120.115 115.700 -0.048 0.000 2.677 188 S HA 0.579 5.046 4.470 -0.006 0.000 0.283 188 S C -2.829 171.712 174.600 -0.097 0.000 1.159 188 S CA -1.206 56.872 58.200 -0.203 0.000 1.001 188 S CB 2.060 64.985 63.200 -0.458 0.000 1.032 188 S HN 0.302 nan 8.310 nan 0.000 0.487 189 P HA 0.334 nan 4.420 nan 0.000 0.276 189 P C -0.482 176.813 177.300 -0.008 0.000 1.235 189 P CA -0.285 62.839 63.100 0.039 0.000 0.772 189 P CB 1.028 32.819 31.700 0.153 0.000 0.871 190 V N 0.300 120.237 119.914 0.037 0.000 3.078 190 V HA 0.891 5.007 4.120 -0.006 0.000 0.311 190 V C 0.267 176.437 176.094 0.125 0.000 1.138 190 V CA -0.383 61.962 62.300 0.075 0.000 1.007 190 V CB 1.591 33.495 31.823 0.136 0.000 1.045 190 V HN 0.622 nan 8.190 nan 0.000 0.432 191 G N 1.194 110.080 108.800 0.144 0.000 2.968 191 G HA2 0.589 4.545 3.960 -0.006 0.000 0.206 191 G HA3 0.589 4.545 3.960 -0.006 0.000 0.206 191 G C -1.616 173.384 174.900 0.167 0.000 2.051 191 G CA 0.291 45.474 45.100 0.139 0.000 0.773 191 G HN 0.776 nan 8.290 nan 0.000 0.741 192 P HA 0.345 nan 4.420 nan 0.000 0.337 192 P C -1.207 176.240 177.300 0.246 0.000 1.404 192 P CA 0.156 63.357 63.100 0.167 0.000 0.864 192 P CB 0.969 32.743 31.700 0.123 0.000 2.124 200 N N 0.470 119.355 118.700 0.309 0.000 3.409 200 N HA 0.453 5.190 4.740 -0.006 0.000 0.169 200 N C -3.165 172.420 175.510 0.125 0.000 1.443 200 N CA -1.089 52.061 53.050 0.167 0.000 0.933 200 N CB -0.172 38.393 38.487 0.130 0.000 1.669 200 N HN 0.400 nan 8.380 nan 0.000 0.640 201 P HA 0.145 nan 4.420 nan 0.000 0.265 201 P C 0.289 177.622 177.300 0.054 0.000 1.167 201 P CA 0.465 63.591 63.100 0.043 0.000 0.760 201 P CB 0.778 32.497 31.700 0.032 0.000 0.783 202 V N -0.872 119.071 119.914 0.047 0.000 2.769 202 V HA 0.640 4.756 4.120 -0.006 0.000 0.312 202 V C 0.075 176.194 176.094 0.042 0.000 1.058 202 V CA -0.909 61.420 62.300 0.049 0.000 0.952 202 V CB 1.716 33.576 31.823 0.062 0.000 1.019 202 V HN 0.605 nan 8.190 nan 0.000 0.445 203 S N 2.681 118.409 115.700 0.046 0.000 2.541 203 S HA 0.792 5.258 4.470 -0.006 0.000 0.283 203 S C -0.617 174.020 174.600 0.061 0.000 1.196 203 S CA -0.626 57.607 58.200 0.054 0.000 1.062 203 S CB 0.480 63.718 63.200 0.064 0.000 1.009 203 S HN 0.685 nan 8.310 nan 0.000 0.502 204 L N 3.693 124.954 121.223 0.063 0.000 2.346 204 L HA 0.539 4.875 4.340 -0.006 0.000 0.274 204 L C -0.551 176.399 176.870 0.134 0.000 1.007 204 L CA -0.738 54.142 54.840 0.067 0.000 0.818 204 L CB 1.511 43.574 42.059 0.007 0.000 1.284 204 L HN 0.677 nan 8.230 nan 0.000 0.424 205 W N 3.472 124.717 121.300 -0.092 0.000 2.291 205 W HA 0.620 5.276 4.660 -0.006 0.000 0.312 205 W C -0.993 175.470 176.519 -0.094 0.000 1.061 205 W CA -0.855 56.440 57.345 -0.084 0.000 1.296 205 W CB 1.541 30.931 29.460 -0.116 0.000 1.223 205 W HN 0.533 nan 8.180 nan 0.000 0.421 206 A N 5.927 128.473 122.820 -0.457 0.000 2.582 206 A HA 0.215 4.531 4.320 -0.006 0.000 0.336 206 A C -0.733 176.586 177.584 -0.442 0.000 1.445 206 A CA -0.487 51.341 52.037 -0.347 0.000 0.997 206 A CB 0.047 18.954 19.000 -0.156 0.000 1.148 206 A HN 0.562 nan 8.150 nan 0.000 0.514 207 N N 3.910 122.361 118.700 -0.414 0.000 2.524 207 N HA 0.327 5.064 4.740 -0.006 0.000 0.261 207 N C -1.910 173.617 175.510 0.029 0.000 0.998 207 N CA -2.102 50.812 53.050 -0.227 0.000 0.915 207 N CB 2.022 40.465 38.487 -0.074 0.000 1.187 207 N HN 0.265 nan 8.380 nan 0.000 0.507 208 P HA -0.119 nan 4.420 nan 0.000 0.229 208 P C 0.899 178.251 177.300 0.086 0.000 1.150 208 P CA 0.945 64.112 63.100 0.111 0.000 0.765 208 P CB 0.208 31.966 31.700 0.096 0.000 0.783 209 K N -0.615 119.770 120.400 -0.026 0.000 2.365 209 K HA -0.077 4.239 4.320 -0.006 0.000 0.199 209 K C 0.600 177.024 176.600 -0.294 0.000 1.045 209 K CA 0.853 57.016 56.287 -0.206 0.000 0.962 209 K CB -1.108 31.167 32.500 -0.375 0.000 0.759 209 K HN 0.309 nan 8.250 nan 0.000 0.469 210 Y N -0.828 119.606 120.300 0.224 0.000 2.352 210 Y HA 0.513 5.059 4.550 -0.007 0.000 0.339 210 Y C -0.258 175.925 175.900 0.470 0.000 0.992 210 Y CA -1.438 56.870 58.100 0.347 0.000 1.100 210 Y CB 2.279 40.992 38.460 0.421 0.000 1.192 210 Y HN -0.169 nan 8.280 nan 0.000 0.458 211 V N 4.554 124.792 119.914 0.540 0.000 2.487 211 V HA 0.360 4.477 4.120 -0.006 0.000 0.298 211 V C 0.715 176.933 176.094 0.207 0.000 1.028 211 V CA -0.861 61.712 62.300 0.454 0.000 0.860 211 V CB 1.664 33.734 31.823 0.412 0.000 0.991 211 V HN 0.893 nan 8.190 nan 0.000 0.427 212 R N 3.062 123.516 120.500 -0.077 0.000 2.057 212 R HA 0.267 4.604 4.340 -0.006 0.000 0.229 212 R C 0.642 176.774 176.300 -0.279 0.000 1.136 212 R CA 1.426 57.136 56.100 -0.652 0.000 0.952 212 R CB 0.208 29.735 30.300 -1.288 0.000 0.848 212 R HN 0.817 nan 8.270 nan 0.000 0.430 213 A N -0.895 121.863 122.820 -0.103 0.000 2.479 213 A HA 0.482 4.799 4.320 -0.006 0.000 0.296 213 A C -1.890 175.789 177.584 0.159 0.000 1.121 213 A CA -0.717 51.304 52.037 -0.025 0.000 0.743 213 A CB 1.215 20.135 19.000 -0.134 0.000 1.323 213 A HN 0.379 nan 8.150 nan 0.000 0.415 214 W N 0.894 122.148 121.300 -0.077 0.000 3.033 214 W HA 0.491 5.147 4.660 -0.006 0.000 0.336 214 W C -1.171 175.307 176.519 -0.069 0.000 1.173 214 W CA -0.814 56.524 57.345 -0.012 0.000 1.185 214 W CB 1.874 31.368 29.460 0.056 0.000 1.425 214 W HN 0.636 nan 8.180 nan 0.000 0.536 215 K N 1.488 121.646 120.400 -0.404 0.000 2.436 215 K HA 0.344 4.661 4.320 -0.006 0.000 0.282 215 K C 0.687 177.296 176.600 0.014 0.000 1.044 215 K CA 1.730 57.876 56.287 -0.236 0.000 1.028 215 K CB 0.113 32.425 32.500 -0.313 0.000 0.919 215 K HN 0.693 nan 8.250 nan 0.000 0.474 216 G N 1.622 110.438 108.800 0.028 0.000 2.179 216 G HA2 -0.179 3.777 3.960 -0.006 0.000 0.220 216 G HA3 -0.179 3.777 3.960 -0.006 0.000 0.220 216 G C 0.519 175.471 174.900 0.087 0.000 0.990 216 G CA -0.239 44.905 45.100 0.072 0.000 0.646 216 G HN 0.882 nan 8.290 nan 0.000 0.517 217 G N -0.873 107.981 108.800 0.089 0.000 2.702 217 G HA2 0.629 4.586 3.960 -0.006 0.000 0.254 217 G HA3 0.629 4.586 3.960 -0.006 0.000 0.254 217 G C 0.941 175.853 174.900 0.020 0.000 1.380 217 G CA 1.002 46.145 45.100 0.072 0.000 1.042 217 G HN 1.053 nan 8.290 nan 0.000 0.557 218 T N -3.166 111.391 114.554 0.005 0.000 3.174 218 T HA 0.273 4.619 4.350 -0.006 0.000 0.269 218 T C 1.932 176.611 174.700 -0.035 0.000 1.017 218 T CA 0.803 62.897 62.100 -0.010 0.000 0.899 218 T CB 0.705 69.575 68.868 0.003 0.000 1.077 218 T HN 0.645 nan 8.240 nan 0.000 0.552 219 G N 2.952 111.716 108.800 -0.059 0.000 2.516 219 G HA2 -0.220 3.737 3.960 -0.006 0.000 0.221 219 G HA3 -0.220 3.737 3.960 -0.006 0.000 0.221 219 G C 1.154 176.002 174.900 -0.087 0.000 1.107 219 G CA 1.034 46.071 45.100 -0.106 0.000 0.747 219 G HN 0.718 nan 8.290 nan 0.000 0.567 220 D N -0.895 119.468 120.400 -0.062 0.000 2.325 220 D HA 0.112 4.748 4.640 -0.006 0.000 0.225 220 D C 0.512 176.794 176.300 -0.031 0.000 1.096 220 D CA -0.417 53.553 54.000 -0.050 0.000 0.844 220 D CB -0.646 40.124 40.800 -0.050 0.000 0.925 220 D HN 0.159 nan 8.370 nan 0.000 0.513 221 C N -0.123 119.164 119.300 -0.021 0.000 2.667 221 C HA 0.465 4.921 4.460 -0.006 0.000 0.323 221 C C 0.472 175.466 174.990 0.007 0.000 1.214 221 C CA -1.024 57.986 59.018 -0.012 0.000 1.721 221 C CB 1.945 29.681 27.740 -0.006 0.000 2.275 221 C HN 0.063 nan 8.230 nan 0.000 0.491 222 K N 1.504 121.871 120.400 -0.055 0.000 2.758 222 K HA 0.356 4.673 4.320 -0.006 0.000 0.250 222 K C -0.578 175.950 176.600 -0.120 0.000 1.268 222 K CA 0.184 56.368 56.287 -0.172 0.000 1.228 222 K CB -0.079 32.114 32.500 -0.513 0.000 1.715 222 K HN 0.595 nan 8.250 nan 0.000 0.334 223 M N -0.172 119.515 119.600 0.145 0.000 2.209 223 M HA 0.160 4.636 4.480 -0.006 0.000 0.355 223 M C 1.527 178.082 176.300 0.425 0.000 1.171 223 M CA -0.299 55.121 55.300 0.200 0.000 1.069 223 M CB 1.646 34.318 32.600 0.119 0.000 1.622 223 M HN 0.431 nan 8.290 nan 0.000 0.459 224 G N 2.168 111.217 108.800 0.416 0.000 2.545 224 G HA2 -0.256 3.700 3.960 -0.006 0.000 0.222 224 G HA3 -0.256 3.700 3.960 -0.006 0.000 0.222 224 G C 1.323 176.475 174.900 0.421 0.000 1.126 224 G CA 1.280 46.649 45.100 0.448 0.000 0.754 224 G HN 0.992 nan 8.290 nan 0.000 0.583 225 G N 0.783 109.742 108.800 0.265 0.000 2.485 225 G HA2 -0.247 3.709 3.960 -0.006 0.000 0.221 225 G HA3 -0.247 3.709 3.960 -0.006 0.000 0.221 225 G C 1.549 176.521 174.900 0.120 0.000 1.115 225 G CA 0.992 46.195 45.100 0.172 0.000 0.751 225 G HN 0.489 nan 8.290 nan 0.000 0.567 226 N N -0.519 118.236 118.700 0.092 0.000 2.461 226 N HA 0.035 4.771 4.740 -0.006 0.000 0.188 226 N C 0.868 176.120 175.510 -0.431 0.000 1.134 226 N CA 0.511 53.433 53.050 -0.214 0.000 0.878 226 N CB 0.009 38.266 38.487 -0.383 0.000 0.972 226 N HN 0.493 nan 8.380 nan 0.000 0.456 227 Y N -0.413 119.944 120.300 0.096 0.000 2.558 227 Y HA 0.314 4.860 4.550 -0.007 0.000 0.273 227 Y C 2.431 178.396 175.900 0.108 0.000 1.100 227 Y CA -0.019 58.148 58.100 0.112 0.000 1.276 227 Y CB -0.486 38.069 38.460 0.159 0.000 1.196 227 Y HN -0.043 nan 8.280 nan 0.000 0.527 228 G N 0.175 109.113 108.800 0.231 0.000 2.422 228 G HA2 -0.257 3.699 3.960 -0.006 0.000 0.218 228 G HA3 -0.257 3.699 3.960 -0.006 0.000 0.218 228 G C 1.639 176.627 174.900 0.146 0.000 1.146 228 G CA 1.365 46.566 45.100 0.168 0.000 0.769 228 G HN 0.430 nan 8.290 nan 0.000 0.547 229 S N 0.700 116.472 115.700 0.119 0.000 2.607 229 S HA 0.027 4.493 4.470 -0.006 0.000 0.224 229 S C 2.010 176.724 174.600 0.190 0.000 0.969 229 S CA 1.140 59.415 58.200 0.126 0.000 0.927 229 S CB -0.028 63.221 63.200 0.082 0.000 0.772 229 S HN 0.504 nan 8.310 nan 0.000 0.533 230 S N 0.406 116.231 115.700 0.208 0.000 2.524 230 S HA 0.264 4.730 4.470 -0.006 0.000 0.215 230 S C 1.352 176.126 174.600 0.291 0.000 0.986 230 S CA -0.276 58.131 58.200 0.345 0.000 0.911 230 S CB -0.443 62.985 63.200 0.381 0.000 0.805 230 S HN 0.288 nan 8.310 nan 0.000 0.501 231 L N 0.931 122.288 121.223 0.223 0.000 2.083 231 L HA 0.138 4.474 4.340 -0.006 0.000 0.209 231 L C 2.072 179.018 176.870 0.126 0.000 1.083 231 L CA 1.389 56.326 54.840 0.161 0.000 0.752 231 L CB -1.314 40.832 42.059 0.144 0.000 0.899 231 L HN 0.381 nan 8.230 nan 0.000 0.433 232 F N 0.241 120.200 119.950 0.016 0.000 2.102 232 F HA -0.226 4.297 4.527 -0.005 0.000 0.298 232 F C 2.386 178.084 175.800 -0.170 0.000 1.105 232 F CA 1.361 59.336 58.000 -0.043 0.000 1.239 232 F CB -0.374 38.630 39.000 0.006 0.000 0.991 232 F HN 0.050 nan 8.300 nan 0.000 0.474 233 A N -0.344 122.411 122.820 -0.109 0.000 1.902 233 A HA -0.275 4.042 4.320 -0.006 0.000 0.217 233 A C 2.075 179.500 177.584 -0.266 0.000 1.181 233 A CA 1.857 53.663 52.037 -0.385 0.000 0.623 233 A CB -1.028 17.770 19.000 -0.336 0.000 0.818 233 A HN 0.544 nan 8.150 nan 0.000 0.443 234 Q N -0.333 119.396 119.800 -0.118 0.000 2.020 234 Q HA -0.184 4.152 4.340 -0.006 0.000 0.202 234 Q C 2.033 177.915 176.000 -0.196 0.000 0.982 234 Q CA 2.554 58.297 55.803 -0.100 0.000 0.838 234 Q CB -0.896 27.849 28.738 0.012 0.000 0.899 234 Q HN 0.617 nan 8.270 nan 0.000 0.423 235 C N 0.762 119.931 119.300 -0.219 0.000 2.429 235 C HA -0.113 4.343 4.460 -0.006 0.000 0.277 235 C C 2.486 177.239 174.990 -0.396 0.000 1.262 235 C CA 1.127 59.983 59.018 -0.271 0.000 1.733 235 C CB -1.049 26.531 27.740 -0.267 0.000 2.010 235 C HN 0.722 nan 8.230 nan 0.000 0.483 236 E N 0.755 120.644 120.200 -0.518 0.000 2.338 236 E HA -0.127 4.220 4.350 -0.006 0.000 0.197 236 E C 2.049 178.117 176.600 -0.887 0.000 1.007 236 E CA 0.991 57.016 56.400 -0.625 0.000 0.849 236 E CB -0.032 29.350 29.700 -0.529 0.000 0.774 236 E HN 0.653 nan 8.360 nan 0.000 0.506 237 A N 0.702 123.115 122.820 -0.680 0.000 1.855 237 A HA -0.097 4.220 4.320 -0.006 0.000 0.213 237 A C 2.407 179.725 177.584 -0.443 0.000 1.195 237 A CA 1.316 52.976 52.037 -0.628 0.000 0.610 237 A CB -0.906 17.944 19.000 -0.250 0.000 0.837 237 A HN 0.291 nan 8.150 nan 0.000 0.444 238 V N -1.299 118.431 119.914 -0.307 0.000 2.469 238 V HA -0.223 3.894 4.120 -0.006 0.000 0.251 238 V C 1.517 177.462 176.094 -0.248 0.000 1.064 238 V CA 2.601 64.769 62.300 -0.219 0.000 1.066 238 V CB -1.232 30.492 31.823 -0.164 0.000 0.667 238 V HN 0.383 nan 8.190 nan 0.000 0.461 239 D N 1.159 121.361 120.400 -0.329 0.000 2.403 239 D HA -0.042 4.594 4.640 -0.006 0.000 0.227 239 D C 1.061 177.168 176.300 -0.321 0.000 0.995 239 D CA 1.017 54.834 54.000 -0.306 0.000 0.928 239 D CB -0.343 40.249 40.800 -0.347 0.000 0.887 239 D HN 0.651 nan 8.370 nan 0.000 0.529 240 N N -1.097 117.382 118.700 -0.369 0.000 2.466 240 N HA 0.161 4.898 4.740 -0.006 0.000 0.272 240 N C 0.779 176.213 175.510 -0.127 0.000 1.455 240 N CA 0.308 53.191 53.050 -0.279 0.000 0.875 240 N CB 1.496 39.683 38.487 -0.500 0.000 1.372 240 N HN 0.079 nan 8.380 nan 0.000 0.492 241 G N 0.787 109.519 108.800 -0.114 0.000 2.205 241 G HA2 -0.330 3.626 3.960 -0.006 0.000 0.269 241 G HA3 -0.330 3.626 3.960 -0.006 0.000 0.269 241 G C 0.374 175.255 174.900 -0.031 0.000 0.977 241 G CA 0.477 45.543 45.100 -0.055 0.000 0.652 241 G HN 0.457 nan 8.290 nan 0.000 0.539 242 C N 0.359 119.633 119.300 -0.043 0.000 2.452 242 C HA 0.532 4.989 4.460 -0.006 0.000 0.379 242 C C 1.612 176.585 174.990 -0.028 0.000 1.275 242 C CA -0.268 58.753 59.018 0.006 0.000 2.056 242 C CB 1.336 29.128 27.740 0.087 0.000 2.506 242 C HN 0.564 nan 8.230 nan 0.000 0.560 243 Q N 0.423 120.220 119.800 -0.004 0.000 2.389 243 Q HA 0.091 4.427 4.340 -0.006 0.000 0.204 243 Q C 0.643 176.640 176.000 -0.006 0.000 0.944 243 Q CA 1.145 56.937 55.803 -0.017 0.000 0.908 243 Q CB 0.035 28.771 28.738 -0.004 0.000 1.002 243 Q HN 0.699 nan 8.270 nan 0.000 0.493 244 Q N -1.308 118.501 119.800 0.016 0.000 2.648 244 Q HA 0.475 4.811 4.340 -0.006 0.000 0.300 244 Q C -1.123 174.878 176.000 0.001 0.000 0.954 244 Q CA -0.773 55.045 55.803 0.025 0.000 0.757 244 Q CB 1.881 30.657 28.738 0.064 0.000 1.482 244 Q HN -0.115 nan 8.270 nan 0.000 0.437 245 V N 1.579 121.446 119.914 -0.077 0.000 2.483 245 V HA 0.358 4.475 4.120 -0.006 0.000 0.295 245 V C -0.525 175.353 176.094 -0.360 0.000 1.035 245 V CA -0.765 61.367 62.300 -0.281 0.000 0.896 245 V CB 1.519 32.918 31.823 -0.707 0.000 0.986 245 V HN 0.560 nan 8.190 nan 0.000 0.447 246 L N 5.457 126.504 121.223 -0.294 0.000 2.264 246 L HA 0.509 4.845 4.340 -0.006 0.000 0.287 246 L C -0.817 175.941 176.870 -0.187 0.000 1.039 246 L CA -0.260 54.475 54.840 -0.175 0.000 0.829 246 L CB 0.400 42.390 42.059 -0.116 0.000 1.211 246 L HN 0.642 nan 8.230 nan 0.000 0.427 247 W N 6.596 127.934 121.300 0.063 0.000 2.419 247 W HA 0.394 5.050 4.660 -0.005 0.000 0.312 247 W C -0.293 176.280 176.519 0.090 0.000 1.323 247 W CA -0.322 57.078 57.345 0.093 0.000 1.293 247 W CB 0.277 29.790 29.460 0.089 0.000 1.324 247 W HN 0.339 nan 8.180 nan 0.000 0.512 248 L N 3.936 125.365 121.223 0.343 0.000 2.344 248 L HA 0.578 4.914 4.340 -0.006 0.000 0.272 248 L C -0.714 176.371 176.870 0.360 0.000 1.035 248 L CA -1.460 53.544 54.840 0.274 0.000 0.807 248 L CB 1.122 43.309 42.059 0.213 0.000 1.237 248 L HN 0.347 nan 8.230 nan 0.000 0.442 249 Y N 0.587 120.968 120.300 0.134 0.000 2.504 249 Y HA 0.612 5.158 4.550 -0.006 0.000 0.344 249 Y C 0.141 176.025 175.900 -0.027 0.000 1.023 249 Y CA 0.019 58.164 58.100 0.076 0.000 1.020 249 Y CB 1.927 40.390 38.460 0.004 0.000 1.282 249 Y HN 0.792 nan 8.280 nan 0.000 0.454 250 G N 4.431 112.614 108.800 -1.029 0.000 2.846 250 G HA2 -0.218 3.739 3.960 -0.006 0.000 0.660 250 G HA3 -0.218 3.739 3.960 -0.006 0.000 0.660 250 G C 0.384 174.981 174.900 -0.504 0.000 1.464 250 G CA -0.039 44.529 45.100 -0.888 0.000 0.891 250 G HN 0.721 nan 8.290 nan 0.000 0.552 251 E N 0.549 120.498 120.200 -0.419 0.000 2.086 251 E HA -0.203 4.143 4.350 -0.006 0.000 0.200 251 E C 1.934 178.191 176.600 -0.571 0.000 1.012 251 E CA 2.156 58.326 56.400 -0.383 0.000 0.812 251 E CB -0.294 29.266 29.700 -0.234 0.000 0.743 251 E HN 0.790 nan 8.360 nan 0.000 0.453 252 D N -0.469 119.679 120.400 -0.421 0.000 2.319 252 D HA -0.079 4.558 4.640 -0.006 0.000 0.230 252 D C -0.262 175.901 176.300 -0.230 0.000 1.094 252 D CA -0.104 53.715 54.000 -0.302 0.000 0.856 252 D CB -0.626 40.086 40.800 -0.148 0.000 0.915 252 D HN 0.138 nan 8.370 nan 0.000 0.517 253 H N 0.148 119.192 119.070 -0.043 0.000 2.591 253 H HA -0.171 4.381 4.556 -0.006 0.000 0.325 253 H C -0.551 174.765 175.328 -0.020 0.000 1.096 253 H CA 0.603 56.643 56.048 -0.013 0.000 1.108 253 H CB -2.386 27.388 29.762 0.019 0.000 1.590 253 H HN 0.499 nan 8.280 nan 0.000 0.399 254 Q N 0.982 120.819 119.800 0.062 0.000 2.352 254 Q HA 0.379 4.716 4.340 -0.006 0.000 0.260 254 Q C 1.455 177.505 176.000 0.083 0.000 0.976 254 Q CA -0.148 55.693 55.803 0.064 0.000 0.881 254 Q CB 1.189 29.970 28.738 0.071 0.000 1.235 254 Q HN 0.564 nan 8.270 nan 0.000 0.419 255 I N -0.750 119.835 120.570 0.025 0.000 2.342 255 I HA 0.278 4.445 4.170 -0.006 0.000 0.291 255 I C 0.723 176.851 176.117 0.019 0.000 1.010 255 I CA -0.411 60.893 61.300 0.006 0.000 1.308 255 I CB 1.262 39.216 38.000 -0.077 0.000 1.400 255 I HN 0.717 nan 8.210 nan 0.000 0.488 256 T N 1.998 116.592 114.554 0.066 0.000 3.111 256 T HA 0.327 4.674 4.350 -0.006 0.000 0.236 256 T C 0.555 175.265 174.700 0.017 0.000 0.984 256 T CA 0.075 62.197 62.100 0.037 0.000 1.195 256 T CB 0.132 69.034 68.868 0.057 0.000 0.929 256 T HN 0.733 nan 8.240 nan 0.000 0.431 257 E N 0.258 120.528 120.200 0.116 0.000 2.356 257 E HA 0.559 4.905 4.350 -0.006 0.000 0.275 257 E C -1.763 174.965 176.600 0.213 0.000 0.904 257 E CA -0.866 55.611 56.400 0.129 0.000 0.757 257 E CB 3.264 33.044 29.700 0.133 0.000 1.232 257 E HN 0.040 nan 8.360 nan 0.000 0.442 258 V N 3.058 123.057 119.914 0.143 0.000 2.304 258 V HA 0.330 4.446 4.120 -0.006 0.000 0.262 258 V C 0.935 177.153 176.094 0.207 0.000 1.061 258 V CA 0.865 63.243 62.300 0.130 0.000 0.872 258 V CB -0.230 31.641 31.823 0.079 0.000 1.077 258 V HN 1.000 nan 8.190 nan 0.000 0.480 259 G N 5.541 114.502 108.800 0.268 0.000 2.591 259 G HA2 -0.314 3.643 3.960 -0.006 0.000 0.298 259 G HA3 -0.314 3.643 3.960 -0.006 0.000 0.298 259 G C 0.562 175.729 174.900 0.445 0.000 1.195 259 G CA 0.398 45.717 45.100 0.365 0.000 0.989 259 G HN 1.230 nan 8.290 nan 0.000 0.551 260 T N -1.739 113.015 114.554 0.334 0.000 3.255 260 T HA 0.723 5.069 4.350 -0.006 0.000 0.243 260 T C 0.152 174.976 174.700 0.208 0.000 1.057 260 T CA 0.164 62.438 62.100 0.290 0.000 1.121 260 T CB -0.145 68.958 68.868 0.392 0.000 1.104 260 T HN 0.573 nan 8.240 nan 0.000 0.571 261 M N 1.655 121.359 119.600 0.173 0.000 2.446 261 M HA 0.420 4.897 4.480 -0.006 0.000 0.294 261 M C -0.743 175.611 176.300 0.089 0.000 1.158 261 M CA -0.854 54.522 55.300 0.127 0.000 0.899 261 M CB 2.165 34.842 32.600 0.129 0.000 1.687 261 M HN 0.060 nan 8.290 nan 0.000 0.455 262 N N 2.244 120.979 118.700 0.058 0.000 2.479 262 N HA 0.264 5.000 4.740 -0.006 0.000 0.257 262 N C -1.081 174.346 175.510 -0.138 0.000 1.232 262 N CA -0.060 52.951 53.050 -0.065 0.000 0.920 262 N CB 1.186 39.606 38.487 -0.112 0.000 1.105 262 N HN 0.617 nan 8.380 nan 0.000 0.444 263 L N 2.580 123.634 121.223 -0.282 0.000 2.264 263 L HA 0.430 4.766 4.340 -0.006 0.000 0.289 263 L C -1.203 175.305 176.870 -0.603 0.000 1.044 263 L CA -0.481 54.170 54.840 -0.314 0.000 0.807 263 L CB 0.101 42.039 42.059 -0.202 0.000 1.192 263 L HN 0.328 nan 8.230 nan 0.000 0.425 264 F N 5.487 125.140 119.950 -0.494 0.000 2.482 264 F HA 0.465 4.989 4.527 -0.006 0.000 0.331 264 F C -0.454 174.993 175.800 -0.589 0.000 1.115 264 F CA -0.644 56.966 58.000 -0.651 0.000 0.955 264 F CB 1.982 40.260 39.000 -1.203 0.000 1.136 264 F HN 0.292 nan 8.300 nan 0.000 0.452 265 L N 5.438 126.546 121.223 -0.192 0.000 2.342 265 L HA 0.381 4.718 4.340 -0.006 0.000 0.276 265 L C -1.688 175.194 176.870 0.019 0.000 0.997 265 L CA -0.643 54.082 54.840 -0.193 0.000 0.838 265 L CB 0.733 42.517 42.059 -0.458 0.000 1.224 265 L HN 0.621 nan 8.230 nan 0.000 0.416 266 Y N 6.989 127.300 120.300 0.019 0.000 2.404 266 Y HA 0.536 5.082 4.550 -0.006 0.000 0.344 266 Y C -0.992 175.042 175.900 0.223 0.000 0.970 266 Y CA -0.662 57.510 58.100 0.121 0.000 1.180 266 Y CB 0.426 38.960 38.460 0.124 0.000 1.138 266 Y HN 0.790 nan 8.280 nan 0.000 0.510 267 W N 5.772 127.030 121.300 -0.069 0.000 2.871 267 W HA 0.451 5.108 4.660 -0.006 0.000 0.416 267 W C -2.803 173.636 176.519 -0.134 0.000 1.108 267 W CA -1.838 55.406 57.345 -0.169 0.000 1.179 267 W CB 0.031 29.455 29.460 -0.061 0.000 1.479 267 W HN 0.207 nan 8.180 nan 0.000 0.598 268 I N 3.366 123.758 120.570 -0.297 0.000 2.307 268 I HA 0.168 4.335 4.170 -0.006 0.000 0.289 268 I C 0.911 176.407 176.117 -1.035 0.000 1.021 268 I CA -0.733 60.283 61.300 -0.474 0.000 1.224 268 I CB 0.278 38.116 38.000 -0.271 0.000 1.376 268 I HN 0.430 nan 8.210 nan 0.000 0.470 269 N N 4.400 122.451 118.700 -1.082 0.000 2.262 269 N HA 0.023 4.759 4.740 -0.006 0.000 0.260 269 N C 0.319 175.414 175.510 -0.690 0.000 1.305 269 N CA -0.472 51.845 53.050 -1.221 0.000 0.913 269 N CB 0.524 38.704 38.487 -0.512 0.000 1.116 269 N HN 0.415 nan 8.380 nan 0.000 0.512 270 E N -0.764 119.174 120.200 -0.437 0.000 2.338 270 E HA -0.104 4.243 4.350 -0.006 0.000 0.197 270 E C 0.205 176.716 176.600 -0.149 0.000 1.007 270 E CA 0.933 57.202 56.400 -0.219 0.000 0.849 270 E CB -0.031 29.617 29.700 -0.086 0.000 0.774 270 E HN 0.468 nan 8.360 nan 0.000 0.506 271 D N -1.153 119.159 120.400 -0.147 0.000 2.360 271 D HA 0.124 4.761 4.640 -0.006 0.000 0.210 271 D C 1.030 177.272 176.300 -0.098 0.000 1.047 271 D CA 0.769 54.715 54.000 -0.091 0.000 0.854 271 D CB 0.762 41.529 40.800 -0.055 0.000 0.936 271 D HN 0.241 nan 8.370 nan 0.000 0.514 272 G N 1.191 109.900 108.800 -0.151 0.000 2.131 272 G HA2 -0.242 3.715 3.960 -0.006 0.000 0.223 272 G HA3 -0.242 3.715 3.960 -0.006 0.000 0.223 272 G C -0.036 174.798 174.900 -0.110 0.000 0.990 272 G CA -0.325 44.697 45.100 -0.131 0.000 0.671 272 G HN 0.333 nan 8.290 nan 0.000 0.521 273 E N 0.221 120.350 120.200 -0.119 0.000 2.204 273 E HA 0.418 4.764 4.350 -0.006 0.000 0.276 273 E C 0.025 176.588 176.600 -0.061 0.000 0.974 273 E CA -0.734 55.633 56.400 -0.054 0.000 0.815 273 E CB 1.558 31.256 29.700 -0.003 0.000 1.119 273 E HN 0.372 nan 8.360 nan 0.000 0.393 274 E N 2.560 122.771 120.200 0.019 0.000 2.417 274 E HA -0.048 4.298 4.350 -0.006 0.000 0.261 274 E C -0.734 175.979 176.600 0.189 0.000 1.000 274 E CA 0.469 56.903 56.400 0.057 0.000 0.919 274 E CB 0.588 30.364 29.700 0.128 0.000 0.955 274 E HN 0.403 nan 8.360 nan 0.000 0.455 275 E N 4.547 124.885 120.200 0.230 0.000 2.343 275 E HA 0.243 4.589 4.350 -0.006 0.000 0.278 275 E C -1.701 175.210 176.600 0.518 0.000 0.910 275 E CA -0.737 55.896 56.400 0.387 0.000 0.757 275 E CB 1.220 31.114 29.700 0.323 0.000 1.218 275 E HN 0.462 nan 8.360 nan 0.000 0.435 276 L N 3.736 125.228 121.223 0.449 0.000 2.277 276 L HA 0.710 5.046 4.340 -0.006 0.000 0.284 276 L C -0.789 176.271 176.870 0.316 0.000 1.028 276 L CA -0.201 54.855 54.840 0.361 0.000 0.835 276 L CB 0.731 43.011 42.059 0.368 0.000 1.215 276 L HN 0.726 nan 8.230 nan 0.000 0.425 277 A N 3.428 126.388 122.820 0.233 0.000 2.322 277 A HA 0.853 5.169 4.320 -0.006 0.000 0.327 277 A C -0.476 177.089 177.584 -0.032 0.000 1.134 277 A CA -0.481 51.621 52.037 0.107 0.000 0.831 277 A CB 2.030 21.066 19.000 0.060 0.000 1.288 277 A HN 0.582 nan 8.150 nan 0.000 0.472 278 T N 0.255 114.729 114.554 -0.134 0.000 3.087 278 T HA 0.540 4.886 4.350 -0.006 0.000 0.351 278 T C -3.184 171.373 174.700 -0.238 0.000 1.520 278 T CA -0.741 61.155 62.100 -0.339 0.000 1.111 278 T CB 1.442 69.920 68.868 -0.649 0.000 1.353 278 T HN 0.330 nan 8.240 nan 0.000 0.481 279 P HA 0.231 nan 4.420 nan 0.000 0.266 279 P C -2.456 174.752 177.300 -0.153 0.000 1.195 279 P CA -0.775 62.242 63.100 -0.138 0.000 0.768 279 P CB 0.039 31.688 31.700 -0.084 0.000 0.838 280 P HA 0.116 nan 4.420 nan 0.000 0.274 280 P C -0.445 176.799 177.300 -0.092 0.000 1.246 280 P CA -0.079 62.926 63.100 -0.157 0.000 0.795 280 P CB 0.734 32.270 31.700 -0.272 0.000 1.006 281 L N 2.199 123.375 121.223 -0.079 0.000 2.391 281 L HA 0.099 4.436 4.340 -0.006 0.000 0.249 281 L C 0.893 177.731 176.870 -0.054 0.000 1.308 281 L CA 0.097 54.899 54.840 -0.064 0.000 1.209 281 L CB -0.852 41.175 42.059 -0.053 0.000 1.401 281 L HN 0.389 nan 8.230 nan 0.000 0.416 282 D N -0.244 120.128 120.400 -0.047 0.000 2.427 282 D HA 0.174 4.811 4.640 -0.006 0.000 0.224 282 D C 1.223 177.472 176.300 -0.085 0.000 1.157 282 D CA 0.343 54.320 54.000 -0.039 0.000 0.828 282 D CB 0.919 41.737 40.800 0.031 0.000 0.974 282 D HN 0.487 nan 8.370 nan 0.000 0.498 283 G N 1.363 110.106 108.800 -0.095 0.000 2.339 283 G HA2 -0.276 3.680 3.960 -0.006 0.000 0.209 283 G HA3 -0.276 3.680 3.960 -0.006 0.000 0.209 283 G C 0.849 175.664 174.900 -0.141 0.000 1.015 283 G CA 0.022 45.057 45.100 -0.109 0.000 0.635 283 G HN 0.535 nan 8.290 nan 0.000 0.499 284 I N -0.764 119.686 120.570 -0.201 0.000 3.956 284 I HA 0.645 4.811 4.170 -0.006 0.000 0.333 284 I C 0.114 176.129 176.117 -0.170 0.000 1.302 284 I CA -0.235 60.927 61.300 -0.231 0.000 1.122 284 I CB 0.182 37.930 38.000 -0.420 0.000 1.013 284 I HN 0.018 nan 8.210 nan 0.000 0.405 285 I N 1.670 122.164 120.570 -0.127 0.000 2.433 285 I HA 0.352 4.518 4.170 -0.006 0.000 0.292 285 I C -0.464 175.607 176.117 -0.076 0.000 1.001 285 I CA -0.596 60.645 61.300 -0.099 0.000 1.119 285 I CB 2.128 40.071 38.000 -0.095 0.000 1.289 285 I HN 0.094 nan 8.210 nan 0.000 0.438 286 L N 8.552 129.741 121.223 -0.057 0.000 2.367 286 L HA 0.441 4.778 4.340 -0.006 0.000 0.275 286 L C -1.975 174.880 176.870 -0.025 0.000 1.129 286 L CA -1.301 53.520 54.840 -0.031 0.000 0.839 286 L CB 0.835 42.896 42.059 0.004 0.000 1.133 286 L HN 0.410 nan 8.230 nan 0.000 0.453 287 P HA 0.127 nan 4.420 nan 0.000 0.260 287 P C -0.048 177.250 177.300 -0.004 0.000 1.651 287 P CA -0.216 62.872 63.100 -0.020 0.000 1.139 287 P CB 0.295 31.980 31.700 -0.025 0.000 1.756 288 G N 1.904 110.714 108.800 0.016 0.000 2.491 288 G HA2 0.165 4.121 3.960 -0.006 0.000 0.242 288 G HA3 0.165 4.121 3.960 -0.006 0.000 0.242 288 G C 1.184 176.105 174.900 0.035 0.000 1.266 288 G CA -0.549 44.576 45.100 0.042 0.000 0.844 288 G HN 0.189 nan 8.290 nan 0.000 0.571 289 V N 1.894 121.826 119.914 0.031 0.000 2.427 289 V HA -0.153 3.963 4.120 -0.006 0.000 0.248 289 V C 3.023 179.129 176.094 0.020 0.000 1.051 289 V CA 2.370 64.665 62.300 -0.009 0.000 1.048 289 V CB -0.726 31.102 31.823 0.008 0.000 0.666 289 V HN 0.787 nan 8.190 nan 0.000 0.456 290 T N -0.413 114.202 114.554 0.101 0.000 2.857 290 T HA -0.165 4.181 4.350 -0.006 0.000 0.266 290 T C 2.025 176.814 174.700 0.150 0.000 1.048 290 T CA 1.447 63.625 62.100 0.130 0.000 1.139 290 T CB -0.207 68.750 68.868 0.150 0.000 0.874 290 T HN 0.420 nan 8.240 nan 0.000 0.455 291 R N 0.898 121.519 120.500 0.203 0.000 2.073 291 R HA -0.108 4.228 4.340 -0.006 0.000 0.234 291 R C 2.537 178.980 176.300 0.237 0.000 1.134 291 R CA 1.470 57.780 56.100 0.350 0.000 0.952 291 R CB -0.122 30.295 30.300 0.196 0.000 0.850 291 R HN 0.078 nan 8.270 nan 0.000 0.433 292 R N 0.545 121.095 120.500 0.083 0.000 2.080 292 R HA -0.107 4.229 4.340 -0.006 0.000 0.236 292 R C 2.260 178.543 176.300 -0.028 0.000 1.137 292 R CA 2.286 58.395 56.100 0.014 0.000 0.943 292 R CB -1.121 29.137 30.300 -0.070 0.000 0.846 292 R HN 0.372 nan 8.270 nan 0.000 0.431 293 C N -0.044 119.167 119.300 -0.149 0.000 2.413 293 C HA -0.059 4.397 4.460 -0.006 0.000 0.276 293 C C 2.589 177.609 174.990 0.049 0.000 1.248 293 C CA 0.823 59.693 59.018 -0.247 0.000 1.742 293 C CB -0.992 26.497 27.740 -0.418 0.000 2.017 293 C HN 0.525 nan 8.230 nan 0.000 0.481 294 I N 0.283 120.860 120.570 0.012 0.000 2.286 294 I HA -0.206 3.961 4.170 -0.006 0.000 0.248 294 I C 2.385 178.448 176.117 -0.090 0.000 1.115 294 I CA 1.445 62.694 61.300 -0.086 0.000 1.392 294 I CB -0.379 37.428 38.000 -0.322 0.000 1.065 294 I HN 0.370 nan 8.210 nan 0.000 0.418 295 L N 0.119 121.361 121.223 0.031 0.000 2.072 295 L HA -0.197 4.140 4.340 -0.006 0.000 0.205 295 L C 2.163 179.052 176.870 0.032 0.000 1.079 295 L CA 1.197 56.060 54.840 0.038 0.000 0.752 295 L CB -0.574 41.576 42.059 0.152 0.000 0.906 295 L HN 0.208 nan 8.230 nan 0.000 0.436 296 D N 0.194 120.658 120.400 0.106 0.000 2.097 296 D HA -0.178 4.458 4.640 -0.006 0.000 0.195 296 D C 2.378 178.657 176.300 -0.036 0.000 0.989 296 D CA 1.198 55.285 54.000 0.146 0.000 0.827 296 D CB -0.275 40.699 40.800 0.289 0.000 0.966 296 D HN 0.202 nan 8.370 nan 0.000 0.456 297 L N 0.642 121.775 121.223 -0.149 0.000 2.012 297 L HA -0.207 4.130 4.340 -0.006 0.000 0.210 297 L C 2.552 178.801 176.870 -1.034 0.000 1.073 297 L CA 1.328 55.765 54.840 -0.673 0.000 0.748 297 L CB -0.531 41.088 42.059 -0.735 0.000 0.891 297 L HN -0.000 nan 8.230 nan 0.000 0.431 298 A N -0.822 121.606 122.820 -0.654 0.000 1.883 298 A HA -0.261 4.056 4.320 -0.006 0.000 0.217 298 A C 2.146 179.492 177.584 -0.396 0.000 1.186 298 A CA 1.703 53.460 52.037 -0.467 0.000 0.624 298 A CB -0.861 18.011 19.000 -0.213 0.000 0.822 298 A HN 0.435 nan 8.150 nan 0.000 0.444 299 H N -0.736 118.208 119.070 -0.210 0.000 2.321 299 H HA -0.169 4.383 4.556 -0.006 0.000 0.300 299 H C 2.257 177.492 175.328 -0.155 0.000 1.087 299 H CA 1.871 57.835 56.048 -0.139 0.000 1.319 299 H CB -0.555 29.161 29.762 -0.076 0.000 1.379 299 H HN 0.798 nan 8.280 nan 0.000 0.501 300 Q N 0.250 119.996 119.800 -0.089 0.000 2.096 300 Q HA -0.201 4.135 4.340 -0.006 0.000 0.208 300 Q C 2.002 177.987 176.000 -0.024 0.000 0.993 300 Q CA 1.927 57.660 55.803 -0.116 0.000 0.862 300 Q CB -0.142 28.448 28.738 -0.246 0.000 0.915 300 Q HN 0.422 nan 8.270 nan 0.000 0.416 301 W N -0.258 120.984 121.300 -0.097 0.000 2.402 301 W HA 0.129 4.786 4.660 -0.006 0.000 0.286 301 W C 1.562 177.983 176.519 -0.163 0.000 1.221 301 W CA 1.224 58.488 57.345 -0.135 0.000 1.257 301 W CB -1.137 28.214 29.460 -0.182 0.000 1.120 301 W HN 0.525 nan 8.180 nan 0.000 0.551 302 G N 0.911 109.709 108.800 -0.004 0.000 2.296 302 G HA2 -0.368 3.588 3.960 -0.006 0.000 0.282 302 G HA3 -0.368 3.588 3.960 -0.006 0.000 0.282 302 G C 0.815 175.671 174.900 -0.074 0.000 1.014 302 G CA 0.838 45.909 45.100 -0.048 0.000 0.812 302 G HN 0.431 nan 8.290 nan 0.000 0.508 303 E N -1.392 118.691 120.200 -0.195 0.000 2.478 303 E HA 0.368 4.714 4.350 -0.006 0.000 0.194 303 E C 0.502 177.154 176.600 0.086 0.000 1.045 303 E CA 0.641 57.006 56.400 -0.057 0.000 0.868 303 E CB 0.136 29.860 29.700 0.040 0.000 0.885 303 E HN 0.851 nan 8.360 nan 0.000 0.505 304 F N -2.101 117.942 119.950 0.155 0.000 2.744 304 F HA 0.354 4.877 4.527 -0.006 0.000 0.311 304 F C -0.913 174.971 175.800 0.140 0.000 1.144 304 F CA -1.706 56.388 58.000 0.157 0.000 0.938 304 F CB 0.720 39.853 39.000 0.222 0.000 1.292 304 F HN -0.453 nan 8.300 nan 0.000 0.444 305 K N 1.536 122.165 120.400 0.381 0.000 2.484 305 K HA 0.476 4.793 4.320 -0.006 0.000 0.280 305 K C -1.343 175.458 176.600 0.334 0.000 1.013 305 K CA -0.131 56.320 56.287 0.273 0.000 1.029 305 K CB 0.634 33.263 32.500 0.215 0.000 0.902 305 K HN 0.624 nan 8.250 nan 0.000 0.481 306 V N 3.725 123.760 119.914 0.201 0.000 2.378 306 V HA 0.257 4.374 4.120 -0.006 0.000 0.288 306 V C -0.848 175.335 176.094 0.148 0.000 1.016 306 V CA -0.620 61.756 62.300 0.126 0.000 0.840 306 V CB 1.594 33.261 31.823 -0.259 0.000 0.994 306 V HN 0.789 nan 8.190 nan 0.000 0.431 307 S N 3.727 119.523 115.700 0.160 0.000 2.557 307 S HA 0.488 4.955 4.470 -0.006 0.000 0.291 307 S C -0.607 174.035 174.600 0.070 0.000 1.116 307 S CA -0.822 57.452 58.200 0.124 0.000 0.992 307 S CB 1.842 65.124 63.200 0.137 0.000 1.028 307 S HN 0.766 nan 8.310 nan 0.000 0.484 308 E N 2.437 122.651 120.200 0.024 0.000 2.042 308 E HA 0.378 4.724 4.350 -0.006 0.000 0.260 308 E C -0.075 176.448 176.600 -0.128 0.000 0.975 308 E CA -0.478 55.892 56.400 -0.051 0.000 0.799 308 E CB 0.562 30.237 29.700 -0.042 0.000 1.131 308 E HN 0.515 nan 8.360 nan 0.000 0.423 309 R N 0.812 121.224 120.500 -0.146 0.000 2.885 309 R HA 0.428 4.765 4.340 -0.006 0.000 0.260 309 R C -1.127 175.032 176.300 -0.235 0.000 1.107 309 R CA -0.850 55.109 56.100 -0.234 0.000 0.978 309 R CB 0.574 30.836 30.300 -0.062 0.000 1.227 309 R HN 0.152 nan 8.270 nan 0.000 0.473 310 Y N 0.469 120.771 120.300 0.003 0.000 2.319 310 Y HA 0.438 4.984 4.550 -0.006 0.000 0.328 310 Y C -0.056 175.835 175.900 -0.014 0.000 1.133 310 Y CA -0.686 57.407 58.100 -0.012 0.000 1.265 310 Y CB 1.153 39.615 38.460 0.003 0.000 1.218 310 Y HN 0.092 nan 8.280 nan 0.000 0.508 311 L N 4.143 125.438 121.223 0.120 0.000 2.376 311 L HA 0.441 4.778 4.340 -0.006 0.000 0.275 311 L C -0.124 176.741 176.870 -0.008 0.000 0.987 311 L CA -0.698 54.136 54.840 -0.011 0.000 0.828 311 L CB 1.982 43.947 42.059 -0.156 0.000 1.249 311 L HN 0.678 nan 8.230 nan 0.000 0.409 312 T N -1.176 113.377 114.554 -0.002 0.000 2.937 312 T HA 0.375 4.722 4.350 -0.006 0.000 0.283 312 T C 1.135 175.803 174.700 -0.053 0.000 1.012 312 T CA -0.912 61.186 62.100 -0.003 0.000 0.997 312 T CB 1.569 70.455 68.868 0.029 0.000 1.136 312 T HN 0.339 nan 8.240 nan 0.000 0.551 313 M N 0.621 120.177 119.600 -0.074 0.000 2.159 313 M HA -0.036 4.441 4.480 -0.006 0.000 0.263 313 M C 1.446 177.697 176.300 -0.081 0.000 1.063 313 M CA 1.405 56.590 55.300 -0.192 0.000 1.110 313 M CB -1.479 30.856 32.600 -0.442 0.000 1.374 313 M HN 0.679 nan 8.290 nan 0.000 0.411 314 D N 0.731 121.138 120.400 0.011 0.000 2.144 314 D HA -0.145 4.491 4.640 -0.006 0.000 0.199 314 D C 1.575 177.914 176.300 0.065 0.000 0.984 314 D CA 1.073 55.105 54.000 0.053 0.000 0.834 314 D CB -0.244 40.602 40.800 0.077 0.000 0.955 314 D HN 0.294 nan 8.370 nan 0.000 0.465 315 D N -0.069 120.372 120.400 0.069 0.000 2.144 315 D HA -0.121 4.515 4.640 -0.006 0.000 0.199 315 D C 2.098 178.481 176.300 0.138 0.000 0.984 315 D CA 0.318 54.405 54.000 0.146 0.000 0.834 315 D CB -0.204 40.678 40.800 0.137 0.000 0.955 315 D HN 0.150 nan 8.370 nan 0.000 0.465 316 L N 1.077 122.295 121.223 -0.008 0.000 1.973 316 L HA -0.152 4.185 4.340 -0.006 0.000 0.208 316 L C 2.541 179.428 176.870 0.029 0.000 1.073 316 L CA 2.313 57.123 54.840 -0.049 0.000 0.746 316 L CB -1.368 40.608 42.059 -0.139 0.000 0.891 316 L HN 0.130 nan 8.230 nan 0.000 0.433 317 T N -4.586 109.976 114.554 0.013 0.000 2.720 317 T HA -0.210 4.136 4.350 -0.006 0.000 0.268 317 T C 1.802 176.543 174.700 0.069 0.000 1.037 317 T CA 1.950 64.074 62.100 0.039 0.000 1.144 317 T CB -1.277 67.617 68.868 0.044 0.000 0.864 317 T HN 0.368 nan 8.240 nan 0.000 0.444 318 T N 1.957 116.563 114.554 0.087 0.000 2.788 318 T HA 0.104 4.450 4.350 -0.006 0.000 0.268 318 T C 2.449 177.214 174.700 0.108 0.000 1.044 318 T CA 1.256 63.411 62.100 0.091 0.000 1.139 318 T CB -0.749 68.178 68.868 0.098 0.000 0.867 318 T HN 0.622 nan 8.240 nan 0.000 0.454 319 A N 0.950 123.877 122.820 0.178 0.000 1.930 319 A HA 0.078 4.395 4.320 -0.006 0.000 0.217 319 A C 2.269 179.935 177.584 0.136 0.000 1.175 319 A CA 0.997 53.161 52.037 0.213 0.000 0.627 319 A CB -0.725 18.581 19.000 0.511 0.000 0.815 319 A HN 0.458 nan 8.150 nan 0.000 0.443 320 L N 0.289 121.578 121.223 0.110 0.000 1.989 320 L HA -0.192 4.145 4.340 -0.006 0.000 0.211 320 L C 1.933 178.839 176.870 0.060 0.000 1.071 320 L CA 1.641 56.525 54.840 0.074 0.000 0.749 320 L CB -0.684 41.408 42.059 0.055 0.000 0.890 320 L HN 0.643 nan 8.230 nan 0.000 0.431 321 E N 0.260 120.494 120.200 0.056 0.000 2.528 321 E HA 0.061 4.407 4.350 -0.006 0.000 0.237 321 E C 0.916 177.538 176.600 0.035 0.000 1.408 321 E CA 0.472 56.898 56.400 0.044 0.000 1.571 321 E CB -0.130 29.595 29.700 0.041 0.000 1.395 321 E HN 0.441 nan 8.360 nan 0.000 0.438 322 G N 1.409 110.229 108.800 0.035 0.000 3.934 322 G HA2 -0.046 3.911 3.960 -0.006 0.000 0.212 322 G HA3 -0.046 3.911 3.960 -0.006 0.000 0.212 322 G C -0.053 174.855 174.900 0.013 0.000 1.126 322 G CA -0.391 44.720 45.100 0.018 0.000 0.877 322 G HN 0.270 nan 8.290 nan 0.000 0.556 323 N N -0.207 118.509 118.700 0.027 0.000 2.725 323 N HA -0.183 4.554 4.740 -0.006 0.000 0.249 323 N C 1.244 176.761 175.510 0.012 0.000 1.103 323 N CA 1.040 54.103 53.050 0.022 0.000 0.707 323 N CB -0.781 37.713 38.487 0.012 0.000 1.043 323 N HN 0.482 nan 8.380 nan 0.000 0.553 324 R N -0.602 119.916 120.500 0.029 0.000 2.276 324 R HA 0.170 4.507 4.340 -0.006 0.000 0.196 324 R C 0.091 176.445 176.300 0.090 0.000 0.961 324 R CA 0.259 56.366 56.100 0.011 0.000 1.024 324 R CB 0.603 30.884 30.300 -0.033 0.000 0.940 324 R HN 0.069 nan 8.270 nan 0.000 0.480 325 V N 1.159 121.146 119.914 0.123 0.000 2.607 325 V HA 0.175 4.291 4.120 -0.006 0.000 0.289 325 V C 0.945 177.055 176.094 0.027 0.000 1.053 325 V CA -0.284 62.097 62.300 0.135 0.000 0.996 325 V CB 1.759 33.641 31.823 0.099 0.000 0.995 325 V HN 0.196 nan 8.190 nan 0.000 0.476 326 R N 1.759 122.252 120.500 -0.011 0.000 2.197 326 R HA 0.413 4.749 4.340 -0.006 0.000 0.188 326 R C 0.027 176.341 176.300 0.022 0.000 1.015 326 R CA 0.243 56.298 56.100 -0.074 0.000 1.132 326 R CB 0.715 30.817 30.300 -0.329 0.000 1.134 326 R HN 0.763 nan 8.270 nan 0.000 0.560 327 E N -0.096 120.172 120.200 0.114 0.000 2.413 327 E HA 0.492 4.838 4.350 -0.006 0.000 0.277 327 E C -1.317 175.410 176.600 0.211 0.000 0.958 327 E CA -0.486 56.031 56.400 0.195 0.000 0.779 327 E CB 3.209 33.107 29.700 0.332 0.000 1.278 327 E HN -0.130 nan 8.360 nan 0.000 0.456 328 M N 2.924 122.648 119.600 0.206 0.000 2.322 328 M HA 0.518 4.995 4.480 -0.006 0.000 0.286 328 M C -2.082 174.353 176.300 0.225 0.000 1.111 328 M CA -0.541 54.818 55.300 0.098 0.000 0.941 328 M CB 1.315 33.898 32.600 -0.029 0.000 1.671 328 M HN 0.631 nan 8.290 nan 0.000 0.470 329 F N 1.468 121.445 119.950 0.046 0.000 2.693 329 F HA 0.919 5.442 4.527 -0.006 0.000 0.309 329 F C -0.616 175.265 175.800 0.136 0.000 1.129 329 F CA -0.917 57.110 58.000 0.046 0.000 0.948 329 F CB 0.895 39.895 39.000 -0.000 0.000 1.315 329 F HN 0.528 nan 8.300 nan 0.000 0.447 330 G N 0.271 109.224 108.800 0.255 0.000 2.410 330 G HA2 0.585 4.541 3.960 -0.006 0.000 0.330 330 G HA3 0.585 4.541 3.960 -0.006 0.000 0.330 330 G C -1.407 173.689 174.900 0.327 0.000 1.142 330 G CA -0.659 44.561 45.100 0.201 0.000 0.902 330 G HN 1.081 nan 8.290 nan 0.000 0.491 331 S N -0.561 115.324 115.700 0.309 0.000 2.526 331 S HA 0.929 5.396 4.470 -0.006 0.000 0.293 331 S C -0.160 174.555 174.600 0.192 0.000 1.092 331 S CA -0.215 58.172 58.200 0.311 0.000 0.980 331 S CB 2.142 65.619 63.200 0.462 0.000 1.048 331 S HN 1.808 nan 8.310 nan 0.000 0.483 332 G N 0.344 109.224 108.800 0.133 0.000 2.523 332 G HA2 0.454 4.410 3.960 -0.006 0.000 0.291 332 G HA3 0.454 4.410 3.960 -0.006 0.000 0.291 332 G C 0.070 175.005 174.900 0.058 0.000 1.450 332 G CA -0.316 44.831 45.100 0.078 0.000 0.790 332 G HN 0.538 nan 8.290 nan 0.000 0.496 333 T N 0.873 115.476 114.554 0.082 0.000 2.788 333 T HA 0.011 4.357 4.350 -0.006 0.000 0.268 333 T C 2.679 177.423 174.700 0.073 0.000 1.044 333 T CA 2.476 64.656 62.100 0.132 0.000 1.139 333 T CB -0.232 68.775 68.868 0.233 0.000 0.867 333 T HN 0.852 nan 8.240 nan 0.000 0.454 334 A N 0.043 122.792 122.820 -0.118 0.000 1.854 334 A HA -0.080 4.236 4.320 -0.006 0.000 0.214 334 A C 2.656 180.064 177.584 -0.294 0.000 1.192 334 A CA 1.482 53.292 52.037 -0.379 0.000 0.611 334 A CB -1.185 17.135 19.000 -1.135 0.000 0.832 334 A HN 0.606 nan 8.150 nan 0.000 0.442 335 C N -2.845 116.284 119.300 -0.286 0.000 2.558 335 C HA 0.344 4.801 4.460 -0.006 0.000 0.288 335 C C 1.941 176.969 174.990 0.062 0.000 1.338 335 C CA 0.970 59.953 59.018 -0.058 0.000 1.760 335 C CB -0.547 27.193 27.740 -0.000 0.000 2.159 335 C HN 0.738 nan 8.230 nan 0.000 0.518 336 V N -0.762 119.187 119.914 0.058 0.000 0.597 336 V HA -0.206 3.910 4.120 -0.006 0.000 0.092 336 V C 0.139 176.320 176.094 0.145 0.000 1.770 336 V CA 1.707 64.061 62.300 0.091 0.000 3.378 336 V CB -1.641 30.230 31.823 0.080 0.000 0.663 336 V HN 0.260 nan 8.190 nan 0.000 0.683 337 V N -0.346 119.675 119.914 0.180 0.000 2.488 337 V HA 0.576 4.692 4.120 -0.006 0.000 0.293 337 V C -0.694 175.552 176.094 0.252 0.000 1.027 337 V CA -0.045 62.388 62.300 0.221 0.000 0.862 337 V CB 1.545 33.429 31.823 0.102 0.000 1.008 337 V HN 0.619 nan 8.190 nan 0.000 0.428 338 C N 7.422 126.872 119.300 0.249 0.000 2.294 338 C HA 0.511 4.967 4.460 -0.006 0.000 0.319 338 C C -2.392 172.678 174.990 0.133 0.000 1.164 338 C CA -1.492 57.640 59.018 0.190 0.000 1.497 338 C CB 1.290 29.146 27.740 0.194 0.000 2.061 338 C HN 0.646 nan 8.230 nan 0.000 0.438 339 P HA 0.164 nan 4.420 nan 0.000 0.268 339 P C -0.713 176.582 177.300 -0.007 0.000 1.205 339 P CA 0.210 63.251 63.100 -0.098 0.000 0.771 339 P CB 0.579 32.032 31.700 -0.412 0.000 0.858 340 V N 2.690 122.612 119.914 0.012 0.000 2.513 340 V HA 0.265 4.381 4.120 -0.006 0.000 0.299 340 V C 1.006 177.071 176.094 -0.047 0.000 1.035 340 V CA 0.180 62.479 62.300 -0.002 0.000 0.889 340 V CB 1.548 33.369 31.823 -0.004 0.000 0.988 340 V HN 0.690 nan 8.190 nan 0.000 0.440 341 S N 1.070 116.741 115.700 -0.048 0.000 2.554 341 S HA 0.338 4.805 4.470 -0.006 0.000 0.227 341 S C 0.096 174.609 174.600 -0.145 0.000 1.050 341 S CA -0.319 57.813 58.200 -0.113 0.000 0.927 341 S CB 0.494 63.693 63.200 -0.002 0.000 0.859 341 S HN 0.719 nan 8.310 nan 0.000 0.494 342 D N 0.630 121.008 120.400 -0.036 0.000 2.753 342 D HA 0.479 5.115 4.640 -0.006 0.000 0.224 342 D C -1.488 174.820 176.300 0.014 0.000 1.213 342 D CA -0.365 53.641 54.000 0.010 0.000 0.833 342 D CB 2.276 43.132 40.800 0.092 0.000 1.607 342 D HN 0.154 nan 8.370 nan 0.000 0.463 343 I N 1.772 122.351 120.570 0.015 0.000 2.468 343 I HA 0.187 4.354 4.170 -0.006 0.000 0.285 343 I C -0.934 175.209 176.117 0.044 0.000 1.039 343 I CA -0.751 60.552 61.300 0.004 0.000 1.074 343 I CB 1.798 39.761 38.000 -0.062 0.000 1.228 343 I HN 0.043 nan 8.210 nan 0.000 0.436 344 L N 7.525 128.790 121.223 0.070 0.000 2.283 344 L HA 0.298 4.634 4.340 -0.006 0.000 0.287 344 L C -0.837 176.014 176.870 -0.032 0.000 1.073 344 L CA 0.014 54.901 54.840 0.077 0.000 0.822 344 L CB -0.000 42.195 42.059 0.228 0.000 1.186 344 L HN 0.376 nan 8.230 nan 0.000 0.436 345 Y N 3.365 123.560 120.300 -0.174 0.000 2.386 345 Y HA 0.326 4.873 4.550 -0.006 0.000 0.334 345 Y C 0.193 175.981 175.900 -0.187 0.000 1.002 345 Y CA -1.629 56.328 58.100 -0.238 0.000 1.068 345 Y CB 1.130 39.481 38.460 -0.182 0.000 1.203 345 Y HN 0.589 nan 8.280 nan 0.000 0.443 346 K N 4.425 124.453 120.400 -0.621 0.000 3.148 346 K HA -0.182 4.135 4.320 -0.006 0.000 0.267 346 K C 0.494 176.946 176.600 -0.247 0.000 0.996 346 K CA 0.936 56.910 56.287 -0.521 0.000 0.737 346 K CB -1.656 30.431 32.500 -0.687 0.000 1.308 346 K HN 1.410 nan 8.250 nan 0.000 0.470 347 G N 0.871 109.574 108.800 -0.161 0.000 2.381 347 G HA2 -0.284 3.673 3.960 -0.006 0.000 0.281 347 G HA3 -0.284 3.673 3.960 -0.006 0.000 0.281 347 G C -0.423 174.461 174.900 -0.028 0.000 0.984 347 G CA 0.910 45.982 45.100 -0.048 0.000 1.339 347 G HN 0.576 nan 8.290 nan 0.000 0.485 348 E N -0.127 120.073 120.200 -0.000 0.000 3.127 348 E HA 0.270 4.616 4.350 -0.006 0.000 0.338 348 E C -0.552 176.081 176.600 0.056 0.000 1.049 348 E CA -0.566 55.849 56.400 0.025 0.000 0.864 348 E CB 0.494 30.201 29.700 0.011 0.000 1.247 348 E HN 0.158 nan 8.360 nan 0.000 0.452 349 T N 5.127 119.721 114.554 0.067 0.000 2.723 349 T HA 0.373 4.720 4.350 -0.006 0.000 0.297 349 T C 0.250 175.003 174.700 0.089 0.000 0.925 349 T CA -0.100 62.050 62.100 0.084 0.000 1.030 349 T CB -0.196 68.724 68.868 0.086 0.000 0.905 349 T HN 0.272 nan 8.240 nan 0.000 0.502 350 I N 4.170 124.791 120.570 0.085 0.000 2.304 350 I HA 0.194 4.361 4.170 -0.006 0.000 0.291 350 I C 0.900 177.069 176.117 0.088 0.000 1.018 350 I CA -0.711 60.636 61.300 0.080 0.000 1.260 350 I CB 0.517 38.546 38.000 0.049 0.000 1.390 350 I HN 0.564 nan 8.210 nan 0.000 0.475 351 H N 7.425 126.508 119.070 0.022 0.000 2.582 351 H HA 0.350 4.902 4.556 -0.006 0.000 0.345 351 H C -0.880 174.457 175.328 0.015 0.000 1.104 351 H CA -0.436 55.623 56.048 0.019 0.000 1.390 351 H CB 1.303 31.078 29.762 0.020 0.000 1.461 351 H HN 0.335 nan 8.280 nan 0.000 0.551 352 I N 7.536 127.696 120.570 -0.682 0.000 2.362 352 I HA 0.144 4.311 4.170 -0.006 0.000 0.289 352 I C -1.761 174.018 176.117 -0.562 0.000 0.994 352 I CA -2.788 58.257 61.300 -0.424 0.000 1.158 352 I CB 1.461 39.317 38.000 -0.241 0.000 1.315 352 I HN 0.536 nan 8.210 nan 0.000 0.451 353 P HA -0.032 nan 4.420 nan 0.000 0.251 353 P C 1.113 178.399 177.300 -0.024 0.000 1.251 353 P CA 0.472 63.551 63.100 -0.036 0.000 0.763 353 P CB 0.003 31.726 31.700 0.039 0.000 1.067 354 T N 0.903 115.415 114.554 -0.069 0.000 2.564 354 T HA -0.217 4.129 4.350 -0.006 0.000 0.264 354 T C 1.840 176.531 174.700 -0.014 0.000 1.100 354 T CA 1.875 63.959 62.100 -0.028 0.000 1.171 354 T CB -0.504 68.335 68.868 -0.048 0.000 0.863 354 T HN 0.090 nan 8.240 nan 0.000 0.430 355 M N 0.867 120.464 119.600 -0.006 0.000 2.279 355 M HA 0.019 4.496 4.480 -0.006 0.000 0.264 355 M C 1.598 177.930 176.300 0.053 0.000 1.062 355 M CA 1.199 56.515 55.300 0.026 0.000 1.099 355 M CB -1.262 31.370 32.600 0.053 0.000 1.394 355 M HN 0.200 nan 8.290 nan 0.000 0.426 356 E N 0.652 120.894 120.200 0.069 0.000 2.365 356 E HA 0.048 4.394 4.350 -0.006 0.000 0.188 356 E C 0.130 176.758 176.600 0.046 0.000 1.102 356 E CA 0.127 56.568 56.400 0.068 0.000 0.927 356 E CB -0.318 29.439 29.700 0.095 0.000 1.073 356 E HN 0.336 nan 8.360 nan 0.000 0.467 357 N N -0.595 118.128 118.700 0.039 0.000 2.475 357 N HA 0.201 4.937 4.740 -0.006 0.000 0.272 357 N C 0.359 175.894 175.510 0.042 0.000 1.482 357 N CA 0.572 53.641 53.050 0.032 0.000 0.863 357 N CB 1.475 39.974 38.487 0.020 0.000 1.400 357 N HN 0.216 nan 8.380 nan 0.000 0.489 358 G N 1.673 110.500 108.800 0.046 0.000 2.261 358 G HA2 -0.178 3.778 3.960 -0.006 0.000 0.228 358 G HA3 -0.178 3.778 3.960 -0.006 0.000 0.228 358 G C -2.483 172.463 174.900 0.076 0.000 2.090 358 G CA -0.552 44.583 45.100 0.058 0.000 1.588 358 G HN 0.209 nan 8.290 nan 0.000 0.520 359 P HA 0.466 nan 4.420 nan 0.000 0.284 359 P C 0.716 178.039 177.300 0.039 0.000 1.343 359 P CA 1.051 64.154 63.100 0.006 0.000 0.826 359 P CB 1.059 32.679 31.700 -0.133 0.000 0.956 360 K N 4.512 124.948 120.400 0.059 0.000 1.991 360 K HA -0.154 4.162 4.320 -0.006 0.000 0.212 360 K C 1.847 178.455 176.600 0.013 0.000 1.049 360 K CA 1.570 57.886 56.287 0.050 0.000 0.932 360 K CB -1.483 31.057 32.500 0.067 0.000 0.717 360 K HN 0.450 nan 8.250 nan 0.000 0.441 361 L N 0.324 121.557 121.223 0.018 0.000 1.989 361 L HA -0.157 4.179 4.340 -0.006 0.000 0.211 361 L C 2.797 179.555 176.870 -0.187 0.000 1.071 361 L CA 2.671 57.444 54.840 -0.111 0.000 0.749 361 L CB -1.187 40.680 42.059 -0.319 0.000 0.890 361 L HN 0.508 nan 8.230 nan 0.000 0.431 362 A N -0.949 121.681 122.820 -0.316 0.000 1.940 362 A HA -0.191 4.125 4.320 -0.006 0.000 0.219 362 A C 2.381 179.925 177.584 -0.066 0.000 1.176 362 A CA 2.033 53.765 52.037 -0.507 0.000 0.631 362 A CB -0.622 17.983 19.000 -0.659 0.000 0.814 362 A HN 0.588 nan 8.150 nan 0.000 0.446 363 S N -0.921 114.833 115.700 0.090 0.000 2.371 363 S HA -0.124 4.342 4.470 -0.006 0.000 0.224 363 S C 2.053 176.683 174.600 0.050 0.000 1.029 363 S CA 1.158 59.457 58.200 0.166 0.000 0.978 363 S CB -0.328 62.959 63.200 0.146 0.000 0.833 363 S HN 0.683 nan 8.310 nan 0.000 0.466 364 R N 1.192 121.699 120.500 0.011 0.000 2.083 364 R HA -0.050 4.287 4.340 -0.006 0.000 0.237 364 R C 2.147 178.505 176.300 0.097 0.000 1.137 364 R CA 1.522 57.621 56.100 -0.002 0.000 0.951 364 R CB -0.453 29.792 30.300 -0.092 0.000 0.851 364 R HN 0.366 nan 8.270 nan 0.000 0.434 365 I N 0.879 121.519 120.570 0.117 0.000 2.286 365 I HA -0.285 3.881 4.170 -0.006 0.000 0.248 365 I C 2.340 178.512 176.117 0.091 0.000 1.115 365 I CA 0.709 62.103 61.300 0.156 0.000 1.392 365 I CB -0.280 37.726 38.000 0.009 0.000 1.065 365 I HN 0.275 nan 8.210 nan 0.000 0.418 366 L N 0.431 121.685 121.223 0.052 0.000 2.017 366 L HA -0.172 4.164 4.340 -0.006 0.000 0.208 366 L C 2.630 179.514 176.870 0.023 0.000 1.073 366 L CA 1.884 56.748 54.840 0.040 0.000 0.745 366 L CB -0.596 41.485 42.059 0.036 0.000 0.894 366 L HN 0.086 nan 8.230 nan 0.000 0.432 367 S N -0.397 115.316 115.700 0.023 0.000 2.353 367 S HA -0.240 4.226 4.470 -0.006 0.000 0.222 367 S C 1.931 176.558 174.600 0.044 0.000 1.035 367 S CA 1.543 59.751 58.200 0.014 0.000 1.025 367 S CB -0.414 62.788 63.200 0.004 0.000 0.902 367 S HN 0.341 nan 8.310 nan 0.000 0.440 368 K N 1.749 122.208 120.400 0.097 0.000 1.987 368 K HA -0.044 4.272 4.320 -0.006 0.000 0.216 368 K C 1.920 178.580 176.600 0.100 0.000 1.051 368 K CA 1.528 57.898 56.287 0.138 0.000 0.942 368 K CB -0.932 31.734 32.500 0.277 0.000 0.722 368 K HN 0.319 nan 8.250 nan 0.000 0.444 369 L N 0.021 121.301 121.223 0.094 0.000 2.012 369 L HA -0.217 4.119 4.340 -0.006 0.000 0.210 369 L C 2.344 179.141 176.870 -0.122 0.000 1.073 369 L CA 1.948 56.796 54.840 0.014 0.000 0.748 369 L CB -0.876 41.154 42.059 -0.047 0.000 0.891 369 L HN 0.303 nan 8.230 nan 0.000 0.431 370 T N -0.971 113.544 114.554 -0.065 0.000 2.720 370 T HA -0.185 4.161 4.350 -0.006 0.000 0.268 370 T C 1.456 176.178 174.700 0.037 0.000 1.037 370 T CA 1.540 63.629 62.100 -0.018 0.000 1.144 370 T CB -0.280 68.612 68.868 0.041 0.000 0.864 370 T HN 0.318 nan 8.240 nan 0.000 0.444 371 D N 0.967 121.382 120.400 0.026 0.000 2.117 371 D HA -0.015 4.622 4.640 -0.006 0.000 0.197 371 D C 2.041 178.358 176.300 0.028 0.000 0.987 371 D CA 0.818 54.841 54.000 0.038 0.000 0.829 371 D CB -0.327 40.491 40.800 0.030 0.000 0.961 371 D HN 0.385 nan 8.370 nan 0.000 0.460 372 I N 0.624 121.203 120.570 0.015 0.000 2.353 372 I HA -0.228 3.939 4.170 -0.006 0.000 0.248 372 I C 2.326 178.434 176.117 -0.014 0.000 1.119 372 I CA 0.846 62.177 61.300 0.052 0.000 1.417 372 I CB -0.193 37.919 38.000 0.187 0.000 1.078 372 I HN -0.019 nan 8.210 nan 0.000 0.421 373 Q N 0.001 119.640 119.800 -0.270 0.000 2.083 373 Q HA -0.152 4.184 4.340 -0.006 0.000 0.198 373 Q C 1.157 176.801 176.000 -0.594 0.000 0.969 373 Q CA 1.476 56.838 55.803 -0.734 0.000 0.838 373 Q CB -0.084 27.594 28.738 -1.768 0.000 0.900 373 Q HN 0.536 nan 8.270 nan 0.000 0.436 374 Y N -0.497 119.668 120.300 -0.225 0.000 2.537 374 Y HA 0.239 4.786 4.550 -0.006 0.000 0.303 374 Y C 1.327 177.230 175.900 0.004 0.000 1.176 374 Y CA 0.295 58.370 58.100 -0.043 0.000 1.273 374 Y CB 0.436 38.884 38.460 -0.020 0.000 1.110 374 Y HN 0.251 nan 8.280 nan 0.000 0.518 375 G N 0.499 109.354 108.800 0.092 0.000 2.189 375 G HA2 -0.380 3.576 3.960 -0.006 0.000 0.267 375 G HA3 -0.380 3.576 3.960 -0.006 0.000 0.267 375 G C 1.254 176.195 174.900 0.069 0.000 0.975 375 G CA 0.230 45.379 45.100 0.081 0.000 0.644 375 G HN 0.472 nan 8.290 nan 0.000 0.537 376 R N 0.760 121.305 120.500 0.074 0.000 2.346 376 R HA 0.240 4.576 4.340 -0.006 0.000 0.208 376 R C 0.528 176.846 176.300 0.030 0.000 1.052 376 R CA 0.980 57.108 56.100 0.048 0.000 1.116 376 R CB 0.038 30.363 30.300 0.042 0.000 1.003 376 R HN 0.644 nan 8.270 nan 0.000 0.482 377 E N 0.610 120.826 120.200 0.028 0.000 2.748 377 E HA 0.028 4.375 4.350 -0.006 0.000 0.320 377 E C -1.335 175.268 176.600 0.005 0.000 0.996 377 E CA -0.333 56.073 56.400 0.010 0.000 0.835 377 E CB 1.193 30.896 29.700 0.004 0.000 1.265 377 E HN -0.062 nan 8.360 nan 0.000 0.420 378 E N 2.652 122.848 120.200 -0.008 0.000 2.366 378 E HA 0.446 4.793 4.350 -0.006 0.000 0.266 378 E C -0.181 176.386 176.600 -0.054 0.000 1.051 378 E CA -0.006 56.385 56.400 -0.014 0.000 0.884 378 E CB 1.517 31.209 29.700 -0.013 0.000 1.006 378 E HN 0.508 nan 8.360 nan 0.000 0.417 379 R N 1.150 121.618 120.500 -0.053 0.000 3.197 379 R HA -0.025 4.311 4.340 -0.006 0.000 0.261 379 R C 0.296 176.563 176.300 -0.055 0.000 1.015 379 R CA -0.231 55.789 56.100 -0.132 0.000 0.949 379 R CB 0.353 30.490 30.300 -0.272 0.000 1.256 379 R HN 0.541 nan 8.270 nan 0.000 0.514 380 D N 2.527 122.885 120.400 -0.070 0.000 2.190 380 D HA -0.220 4.417 4.640 -0.006 0.000 0.200 380 D C 0.825 177.216 176.300 0.152 0.000 0.992 380 D CA 1.214 55.235 54.000 0.036 0.000 0.854 380 D CB -0.021 40.806 40.800 0.046 0.000 0.936 380 D HN 0.516 nan 8.370 nan 0.000 0.462 381 W N 2.350 123.595 121.300 -0.093 0.000 2.436 381 W HA -0.039 4.618 4.660 -0.005 0.000 0.261 381 W C 0.984 177.390 176.519 -0.188 0.000 1.222 381 W CA 1.002 58.214 57.345 -0.222 0.000 1.191 381 W CB -1.343 27.980 29.460 -0.229 0.000 1.132 381 W HN 0.074 nan 8.180 nan 0.000 0.596 382 T N -2.414 112.245 114.554 0.175 0.000 2.924 382 T HA 0.772 5.118 4.350 -0.006 0.000 0.291 382 T C -0.502 174.254 174.700 0.093 0.000 1.045 382 T CA -0.780 61.414 62.100 0.156 0.000 1.015 382 T CB 2.659 71.645 68.868 0.196 0.000 1.103 382 T HN -0.172 nan 8.240 nan 0.000 0.496 383 I N 1.043 121.666 120.570 0.089 0.000 2.730 383 I HA 0.607 4.773 4.170 -0.006 0.000 0.298 383 I C -0.644 175.512 176.117 0.064 0.000 1.089 383 I CA -1.343 59.993 61.300 0.060 0.000 1.041 383 I CB 2.469 40.493 38.000 0.040 0.000 1.235 383 I HN 0.464 nan 8.210 nan 0.000 0.423 384 V N 5.128 125.071 119.914 0.048 0.000 3.166 384 V HA 0.700 4.816 4.120 -0.006 0.000 0.317 384 V C -0.293 175.821 176.094 0.034 0.000 1.136 384 V CA -0.653 61.675 62.300 0.046 0.000 1.035 384 V CB 2.587 34.435 31.823 0.043 0.000 1.110 384 V HN 0.657 nan 8.190 nan 0.000 0.450 385 L N 0.000 121.242 121.223 0.031 0.000 2.949 385 L HA 0.000 4.336 4.340 -0.006 0.000 0.249 385 L CA 0.000 54.854 54.840 0.023 0.000 0.813 385 L CB 0.000 42.070 42.059 0.019 0.000 0.961 385 L HN 0.000 nan 8.230 nan 0.000 0.502