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 3kd9_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLKKVVIIGG GAAGMSAASR VKRLKPEWDV KVFEATEWVS XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXEVFIKK RGIDLHLNAE VIEVDTGYVR VRENGGEKSY DATA SEQUENCE EWDYLVFANG ASPQVPAIEG VNLKGVFTAD LPPDALAIRE YMEKYKVENV DATA SEQUENCE VIIGGGYIGI EMAEAFAAQG KNVTMIVRGE RVLRRSFDKE VTDILEEKLK DATA SEQUENCE KHVNLRLQEI TMKIEGEERV EKVVTDAGEY KAELVILATG IKPNIELAKQ DATA SEQUENCE LGVRIGETGA IWTNEKMQTS VENVYAAGDV AETRHVITGR RVWVPLAPAG DATA SEQUENCE NKMGYVAGSN IAGKELHFPG VLGTAVTKFM DVEIGKTGLT EMEALKEGYD DATA SEQUENCE VRTAFIKAST RPHYYPGGRE IWLKGVVDNE TNRLLGVQVV GSDILPRIDT DATA SEQUENCE AAAMLMAGFT TKDAFFTDLA YAPPFAPVWD PLIVLARVLK EG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.586 174.600 -0.024 0.000 1.055 2 S CA 0.000 58.218 58.200 0.030 0.000 1.107 2 S CB 0.000 63.206 63.200 0.010 0.000 0.593 3 L N 1.591 122.747 121.223 -0.112 0.000 2.282 3 L HA 0.715 5.055 4.340 0.000 0.000 0.288 3 L C -1.194 175.454 176.870 -0.369 0.000 1.033 3 L CA -0.121 54.612 54.840 -0.179 0.000 0.807 3 L CB 1.007 43.016 42.059 -0.084 0.000 1.209 3 L HN 0.869 nan 8.230 nan 0.000 0.423 4 K N 5.471 125.492 120.400 -0.631 0.000 2.443 4 K HA 0.417 4.737 4.320 0.000 0.000 0.252 4 K C -1.039 175.376 176.600 -0.309 0.000 0.933 4 K CA -0.686 55.189 56.287 -0.687 0.000 0.792 4 K CB 2.638 34.209 32.500 -1.549 0.000 1.185 4 K HN 0.530 nan 8.250 nan 0.000 0.425 5 K N 2.261 122.593 120.400 -0.114 0.000 2.347 5 K HA 0.285 4.605 4.320 0.000 0.000 0.262 5 K C -0.260 176.450 176.600 0.185 0.000 1.052 5 K CA -0.608 55.712 56.287 0.055 0.000 0.946 5 K CB 1.252 33.791 32.500 0.066 0.000 1.220 5 K HN 0.223 nan 8.250 nan 0.000 0.450 6 V N 3.549 123.591 119.914 0.213 0.000 2.498 6 V HA 0.222 4.342 4.120 0.000 0.000 0.279 6 V C 0.119 176.268 176.094 0.093 0.000 1.048 6 V CA -0.688 61.742 62.300 0.216 0.000 0.967 6 V CB 1.428 33.371 31.823 0.200 0.000 0.988 6 V HN 0.372 nan 8.190 nan 0.000 0.473 7 V N 6.397 126.337 119.914 0.043 0.000 2.531 7 V HA 0.527 4.647 4.120 0.000 0.000 0.301 7 V C -0.390 175.619 176.094 -0.142 0.000 1.034 7 V CA -0.406 61.864 62.300 -0.049 0.000 0.865 7 V CB 1.971 33.797 31.823 0.005 0.000 0.995 7 V HN 0.691 nan 8.190 nan 0.000 0.424 8 I N 5.565 126.055 120.570 -0.134 0.000 2.382 8 I HA 0.473 4.643 4.170 0.000 0.000 0.286 8 I C -0.508 175.564 176.117 -0.075 0.000 1.002 8 I CA -0.392 60.828 61.300 -0.134 0.000 1.135 8 I CB 1.870 39.802 38.000 -0.114 0.000 1.288 8 I HN 0.452 nan 8.210 nan 0.000 0.448 9 I N 6.445 126.946 120.570 -0.116 0.000 2.269 9 I HA 0.437 4.607 4.170 0.000 0.000 0.293 9 I C 0.859 176.982 176.117 0.011 0.000 1.106 9 I CA 0.331 61.610 61.300 -0.036 0.000 1.248 9 I CB 0.431 38.359 38.000 -0.120 0.000 1.444 9 I HN 0.911 nan 8.210 nan 0.000 0.497 10 G N 2.906 111.729 108.800 0.038 0.000 3.249 10 G HA2 0.403 4.363 3.960 0.000 0.000 0.124 10 G HA3 0.403 4.363 3.960 0.000 0.000 0.124 10 G C 0.649 175.580 174.900 0.052 0.000 1.128 10 G CA 0.515 45.642 45.100 0.046 0.000 1.461 10 G HN 0.688 nan 8.290 nan 0.000 0.683 11 G N -0.335 108.483 108.800 0.030 0.000 2.254 11 G HA2 0.174 4.134 3.960 0.000 0.000 0.225 11 G HA3 0.174 4.134 3.960 0.000 0.000 0.225 11 G C 1.245 176.173 174.900 0.047 0.000 1.003 11 G CA 1.090 46.214 45.100 0.040 0.000 0.622 11 G HN 1.867 nan 8.290 nan 0.000 0.507 12 G N -0.066 108.761 108.800 0.045 0.000 2.486 12 G HA2 0.595 4.555 3.960 0.000 0.000 0.272 12 G HA3 0.595 4.555 3.960 0.000 0.000 0.272 12 G C 1.553 176.466 174.900 0.022 0.000 1.426 12 G CA 1.498 46.620 45.100 0.038 0.000 1.058 12 G HN 1.321 nan 8.290 nan 0.000 0.531 13 A N -0.585 122.242 122.820 0.013 0.000 1.865 13 A HA 0.109 4.429 4.320 0.000 0.000 0.217 13 A C 2.809 180.392 177.584 -0.002 0.000 1.191 13 A CA 3.002 55.040 52.037 0.002 0.000 0.623 13 A CB -1.167 17.828 19.000 -0.009 0.000 0.826 13 A HN 1.354 nan 8.150 nan 0.000 0.444 14 A N -0.624 122.193 122.820 -0.004 0.000 1.908 14 A HA 0.085 4.405 4.320 0.000 0.000 0.218 14 A C 2.437 180.016 177.584 -0.008 0.000 1.181 14 A CA 2.124 54.155 52.037 -0.010 0.000 0.627 14 A CB -1.479 17.517 19.000 -0.005 0.000 0.818 14 A HN 0.790 nan 8.150 nan 0.000 0.445 15 G N -0.899 107.901 108.800 -0.000 0.000 2.459 15 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 15 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 15 G C 1.503 176.389 174.900 -0.024 0.000 1.183 15 G CA 1.359 46.452 45.100 -0.012 0.000 0.776 15 G HN 0.327 nan 8.290 nan 0.000 0.552 16 M N 1.098 120.691 119.600 -0.013 0.000 2.159 16 M HA 0.014 4.494 4.480 0.000 0.000 0.263 16 M C 2.791 179.081 176.300 -0.015 0.000 1.063 16 M CA 0.934 56.224 55.300 -0.016 0.000 1.110 16 M CB -1.206 31.392 32.600 -0.002 0.000 1.374 16 M HN 0.187 nan 8.290 nan 0.000 0.411 17 S N 0.857 116.556 115.700 -0.002 0.000 2.359 17 S HA -0.115 4.355 4.470 0.000 0.000 0.224 17 S C 2.078 176.667 174.600 -0.018 0.000 1.035 17 S CA 1.449 59.662 58.200 0.021 0.000 1.018 17 S CB -0.366 62.864 63.200 0.050 0.000 0.876 17 S HN 0.571 nan 8.310 nan 0.000 0.448 18 A N 1.697 124.491 122.820 -0.043 0.000 1.873 18 A HA -0.038 4.282 4.320 0.000 0.000 0.218 18 A C 2.382 179.900 177.584 -0.110 0.000 1.193 18 A CA 2.085 54.067 52.037 -0.091 0.000 0.629 18 A CB -1.367 17.583 19.000 -0.083 0.000 0.826 18 A HN 0.549 nan 8.150 nan 0.000 0.447 19 A N -0.785 121.984 122.820 -0.085 0.000 1.851 19 A HA -0.167 4.153 4.320 0.000 0.000 0.216 19 A C 2.529 180.061 177.584 -0.087 0.000 1.195 19 A CA 2.553 54.538 52.037 -0.086 0.000 0.622 19 A CB -1.270 17.684 19.000 -0.077 0.000 0.831 19 A HN 0.782 nan 8.150 nan 0.000 0.444 20 S N -1.088 114.573 115.700 -0.066 0.000 2.402 20 S HA -0.241 4.229 4.470 0.000 0.000 0.233 20 S C 2.180 176.724 174.600 -0.094 0.000 1.030 20 S CA 1.983 60.148 58.200 -0.058 0.000 1.003 20 S CB -0.339 62.848 63.200 -0.022 0.000 0.813 20 S HN 0.528 nan 8.310 nan 0.000 0.477 21 R N 0.683 121.099 120.500 -0.139 0.000 2.066 21 R HA 0.171 4.511 4.340 0.000 0.000 0.224 21 R C 2.309 178.448 176.300 -0.267 0.000 1.122 21 R CA 1.557 57.511 56.100 -0.243 0.000 0.974 21 R CB -1.326 28.741 30.300 -0.388 0.000 0.871 21 R HN 0.320 nan 8.270 nan 0.000 0.435 22 V N 0.781 120.548 119.914 -0.246 0.000 2.407 22 V HA -0.205 3.915 4.120 0.000 0.000 0.248 22 V C 1.972 177.906 176.094 -0.266 0.000 1.055 22 V CA 2.273 64.406 62.300 -0.279 0.000 1.049 22 V CB -0.322 31.389 31.823 -0.186 0.000 0.662 22 V HN 0.304 nan 8.190 nan 0.000 0.455 23 K N 0.452 120.749 120.400 -0.171 0.000 2.025 23 K HA -0.146 4.174 4.320 0.000 0.000 0.207 23 K C 2.435 178.943 176.600 -0.153 0.000 1.049 23 K CA 1.977 58.185 56.287 -0.132 0.000 0.933 23 K CB -0.582 31.870 32.500 -0.080 0.000 0.714 23 K HN 0.466 nan 8.250 nan 0.000 0.438 24 R N 0.084 120.495 120.500 -0.148 0.000 2.073 24 R HA -0.072 4.268 4.340 0.000 0.000 0.234 24 R C 2.203 178.398 176.300 -0.175 0.000 1.134 24 R CA 1.667 57.688 56.100 -0.131 0.000 0.952 24 R CB -0.331 29.905 30.300 -0.105 0.000 0.850 24 R HN 0.207 nan 8.270 nan 0.000 0.433 25 L N 0.262 121.341 121.223 -0.240 0.000 2.093 25 L HA -0.088 4.253 4.340 0.000 0.000 0.208 25 L C 0.818 177.465 176.870 -0.371 0.000 1.085 25 L CA 1.190 55.859 54.840 -0.285 0.000 0.755 25 L CB -0.104 41.757 42.059 -0.330 0.000 0.904 25 L HN -0.022 nan 8.230 nan 0.000 0.435 26 K N -0.440 119.662 120.400 -0.497 0.000 2.679 26 K HA 0.252 4.572 4.320 0.000 0.000 0.188 26 K C -1.989 174.397 176.600 -0.355 0.000 1.055 26 K CA -1.551 54.343 56.287 -0.655 0.000 1.006 26 K CB 1.359 32.861 32.500 -1.664 0.000 1.317 26 K HN -0.177 nan 8.250 nan 0.000 0.584 27 P HA -0.214 nan 4.420 nan 0.000 0.216 27 P C 1.082 178.390 177.300 0.013 0.000 1.154 27 P CA 1.162 64.221 63.100 -0.070 0.000 0.865 27 P CB 0.411 32.081 31.700 -0.051 0.000 0.789 28 E N -1.844 118.393 120.200 0.062 0.000 2.418 28 E HA -0.116 4.234 4.350 0.000 0.000 0.197 28 E C -0.038 176.755 176.600 0.322 0.000 1.026 28 E CA 0.158 56.661 56.400 0.172 0.000 0.862 28 E CB -0.029 29.783 29.700 0.188 0.000 0.799 28 E HN 0.179 nan 8.360 nan 0.000 0.518 29 W N 1.058 122.361 121.300 0.004 0.000 2.161 29 W HA 0.141 4.801 4.660 0.000 0.000 0.344 29 W C 0.215 176.741 176.519 0.011 0.000 1.262 29 W CA -0.889 56.466 57.345 0.017 0.000 1.270 29 W CB 0.077 29.547 29.460 0.016 0.000 1.126 29 W HN -0.118 nan 8.180 nan 0.000 0.598 30 D N 0.955 121.491 120.400 0.226 0.000 2.443 30 D HA 0.321 4.961 4.640 0.000 0.000 0.221 30 D C -1.262 175.104 176.300 0.110 0.000 1.097 30 D CA -0.140 53.937 54.000 0.129 0.000 0.865 30 D CB 0.480 41.334 40.800 0.090 0.000 1.034 30 D HN -0.025 nan 8.370 nan 0.000 0.511 31 V N 5.306 125.262 119.914 0.069 0.000 2.350 31 V HA 0.355 4.475 4.120 0.000 0.000 0.276 31 V C 0.200 176.232 176.094 -0.102 0.000 1.028 31 V CA -0.604 61.701 62.300 0.008 0.000 0.860 31 V CB 1.148 32.975 31.823 0.006 0.000 0.990 31 V HN 0.386 nan 8.190 nan 0.000 0.453 32 K N 4.059 124.336 120.400 -0.204 0.000 2.345 32 K HA 0.723 5.043 4.320 0.000 0.000 0.255 32 K C -1.268 174.998 176.600 -0.557 0.000 0.934 32 K CA -0.740 55.265 56.287 -0.470 0.000 0.801 32 K CB 2.688 34.748 32.500 -0.734 0.000 1.137 32 K HN 0.398 nan 8.250 nan 0.000 0.424 33 V N 3.422 123.007 119.914 -0.549 0.000 2.483 33 V HA 0.395 4.515 4.120 0.000 0.000 0.295 33 V C -0.871 174.902 176.094 -0.535 0.000 1.035 33 V CA -0.681 61.385 62.300 -0.390 0.000 0.896 33 V CB 0.783 32.492 31.823 -0.189 0.000 0.986 33 V HN 0.570 nan 8.190 nan 0.000 0.447 34 F N 2.632 122.489 119.950 -0.154 0.000 2.359 34 F HA 0.438 4.965 4.527 0.000 0.000 0.370 34 F C 0.522 176.302 175.800 -0.033 0.000 1.077 34 F CA -0.573 57.357 58.000 -0.117 0.000 1.136 34 F CB 0.956 39.853 39.000 -0.173 0.000 1.387 34 F HN 0.387 nan 8.300 nan 0.000 0.468 35 E N 1.379 121.681 120.200 0.170 0.000 2.227 35 E HA 0.431 4.781 4.350 0.000 0.000 0.282 35 E C 0.679 177.377 176.600 0.162 0.000 1.015 35 E CA -0.065 56.422 56.400 0.146 0.000 0.823 35 E CB 1.934 31.710 29.700 0.127 0.000 1.081 35 E HN 0.638 nan 8.360 nan 0.000 0.396 36 A N 3.596 126.501 122.820 0.142 0.000 1.968 36 A HA -0.057 4.263 4.320 0.000 0.000 0.217 36 A C 1.483 179.158 177.584 0.152 0.000 1.169 36 A CA 1.227 53.341 52.037 0.130 0.000 0.638 36 A CB -0.006 19.058 19.000 0.106 0.000 0.812 36 A HN 0.554 nan 8.150 nan 0.000 0.446 37 T N -1.729 112.938 114.554 0.189 0.000 2.914 37 T HA 0.242 4.593 4.350 0.000 0.000 0.313 37 T C 0.849 175.696 174.700 0.245 0.000 1.137 37 T CA -0.022 62.247 62.100 0.280 0.000 0.946 37 T CB 0.747 69.855 68.868 0.400 0.000 1.558 37 T HN 0.361 nan 8.240 nan 0.000 0.565 38 E N -0.834 119.552 120.200 0.310 0.000 2.476 38 E HA 0.131 4.481 4.350 0.000 0.000 0.199 38 E C -0.214 176.249 176.600 -0.228 0.000 1.021 38 E CA -0.169 56.147 56.400 -0.139 0.000 0.907 38 E CB 0.454 29.783 29.700 -0.619 0.000 0.974 38 E HN 0.510 nan 8.360 nan 0.000 0.489 39 W N 0.481 121.798 121.300 0.030 0.000 2.578 39 W HA 0.549 5.209 4.660 0.000 0.000 0.364 39 W C -0.118 176.413 176.519 0.019 0.000 1.144 39 W CA -0.661 56.697 57.345 0.022 0.000 1.242 39 W CB 1.246 30.718 29.460 0.021 0.000 1.382 39 W HN -0.373 nan 8.180 nan 0.000 0.625 40 V N 0.438 120.510 119.914 0.264 0.000 3.087 40 V HA 0.310 4.430 4.120 0.000 0.000 0.306 40 V C 0.007 176.174 176.094 0.122 0.000 1.187 40 V CA -0.753 61.635 62.300 0.145 0.000 0.999 40 V CB 1.471 33.341 31.823 0.079 0.000 1.049 40 V HN 0.827 nan 8.190 nan 0.000 0.431 67 V N -0.133 119.769 119.914 -0.020 0.000 3.199 67 V HA 0.397 4.517 4.120 0.000 0.000 0.327 67 V C 1.938 178.026 176.094 -0.011 0.000 1.237 67 V CA 2.013 64.304 62.300 -0.015 0.000 1.415 67 V CB -2.041 29.772 31.823 -0.016 0.000 1.084 67 V HN 1.324 nan 8.190 nan 0.000 0.416 68 F N 0.251 120.195 119.950 -0.009 0.000 2.502 68 F HA 0.081 4.608 4.527 0.000 0.000 0.298 68 F C 2.269 178.064 175.800 -0.008 0.000 1.111 68 F CA 1.785 59.780 58.000 -0.008 0.000 1.445 68 F CB -0.827 38.169 39.000 -0.006 0.000 1.081 68 F HN 0.651 nan 8.300 nan 0.000 0.558 69 I N 0.652 121.217 120.570 -0.009 0.000 2.614 69 I HA 0.079 4.249 4.170 0.000 0.000 0.258 69 I C 2.369 178.479 176.117 -0.012 0.000 1.189 69 I CA 2.344 63.637 61.300 -0.012 0.000 1.462 69 I CB -2.143 35.849 38.000 -0.013 0.000 1.092 69 I HN 0.533 nan 8.210 nan 0.000 0.442 70 K N 0.894 121.290 120.400 -0.008 0.000 2.155 70 K HA 0.008 4.328 4.320 0.000 0.000 0.203 70 K C 2.500 179.098 176.600 -0.003 0.000 1.052 70 K CA 1.790 58.075 56.287 -0.004 0.000 0.948 70 K CB -1.290 31.209 32.500 -0.002 0.000 0.728 70 K HN 0.865 nan 8.250 nan 0.000 0.448 71 K N 0.408 120.804 120.400 -0.006 0.000 2.167 71 K HA 0.071 4.391 4.320 0.000 0.000 0.203 71 K C 2.589 179.184 176.600 -0.007 0.000 1.052 71 K CA 1.475 57.758 56.287 -0.005 0.000 0.956 71 K CB -1.161 31.335 32.500 -0.006 0.000 0.735 71 K HN 0.655 nan 8.250 nan 0.000 0.451 72 R N -0.218 120.275 120.500 -0.011 0.000 2.237 72 R HA 0.243 4.583 4.340 0.000 0.000 0.219 72 R C 2.275 178.566 176.300 -0.016 0.000 1.080 72 R CA 1.715 57.806 56.100 -0.015 0.000 0.995 72 R CB -1.120 29.169 30.300 -0.019 0.000 0.875 72 R HN 1.538 nan 8.270 nan 0.000 0.462 73 G N -1.250 107.543 108.800 -0.011 0.000 2.184 73 G HA2 -0.118 3.842 3.960 0.000 0.000 0.206 73 G HA3 -0.118 3.842 3.960 0.000 0.000 0.206 73 G C 0.176 175.071 174.900 -0.008 0.000 0.995 73 G CA 0.000 45.097 45.100 -0.005 0.000 0.651 73 G HN 0.506 nan 8.290 nan 0.000 0.511 74 I N 1.633 122.191 120.570 -0.020 0.000 2.371 74 I HA 0.334 4.504 4.170 0.000 0.000 0.290 74 I C 0.068 176.165 176.117 -0.033 0.000 1.028 74 I CA -0.511 60.767 61.300 -0.036 0.000 1.345 74 I CB 1.343 39.313 38.000 -0.050 0.000 1.407 74 I HN 0.086 nan 8.210 nan 0.000 0.501 75 D N 7.006 127.376 120.400 -0.051 0.000 2.517 75 D HA 0.192 4.832 4.640 0.000 0.000 0.220 75 D C -0.603 175.655 176.300 -0.070 0.000 1.158 75 D CA -0.504 53.484 54.000 -0.020 0.000 0.992 75 D CB 0.328 41.127 40.800 -0.002 0.000 1.058 75 D HN 0.248 nan 8.370 nan 0.000 0.516 76 L N 4.190 125.409 121.223 -0.007 0.000 2.367 76 L HA 0.320 4.660 4.340 0.000 0.000 0.275 76 L C -0.938 176.031 176.870 0.165 0.000 1.129 76 L CA 0.016 54.846 54.840 -0.016 0.000 0.839 76 L CB 0.658 42.707 42.059 -0.015 0.000 1.133 76 L HN 0.395 nan 8.230 nan 0.000 0.453 77 H N 6.263 125.228 119.070 -0.174 0.000 2.718 77 H HA 0.346 4.902 4.556 0.000 0.000 0.295 77 H C -0.503 174.844 175.328 0.031 0.000 1.051 77 H CA -0.970 55.043 56.048 -0.058 0.000 1.260 77 H CB 0.960 30.702 29.762 -0.034 0.000 1.403 77 H HN 0.563 nan 8.280 nan 0.000 0.488 78 L N 2.232 123.526 121.223 0.119 0.000 2.466 78 L HA 0.034 4.374 4.340 0.000 0.000 0.257 78 L C 0.772 177.709 176.870 0.112 0.000 1.189 78 L CA -0.148 54.749 54.840 0.095 0.000 0.813 78 L CB 0.235 42.311 42.059 0.028 0.000 1.118 78 L HN 0.789 nan 8.230 nan 0.000 0.471 79 N N -0.225 118.542 118.700 0.111 0.000 2.661 79 N HA -0.221 4.519 4.740 0.000 0.000 0.249 79 N C -0.222 175.364 175.510 0.127 0.000 1.142 79 N CA 0.823 53.938 53.050 0.107 0.000 0.727 79 N CB -0.944 37.586 38.487 0.071 0.000 1.099 79 N HN 0.674 nan 8.380 nan 0.000 0.558 80 A N 0.473 123.400 122.820 0.178 0.000 3.175 80 A HA 0.217 4.537 4.320 0.000 0.000 0.289 80 A C 0.349 178.006 177.584 0.121 0.000 1.429 80 A CA -0.383 51.783 52.037 0.216 0.000 1.155 80 A CB 0.025 19.316 19.000 0.484 0.000 1.169 80 A HN 0.382 nan 8.150 nan 0.000 0.574 81 E N 1.269 121.512 120.200 0.073 0.000 2.417 81 E HA 0.239 4.589 4.350 0.000 0.000 0.261 81 E C -0.654 175.924 176.600 -0.036 0.000 1.000 81 E CA -0.096 56.325 56.400 0.035 0.000 0.919 81 E CB 0.603 30.331 29.700 0.046 0.000 0.955 81 E HN 0.326 nan 8.360 nan 0.000 0.455 82 V N 6.572 126.448 119.914 -0.064 0.000 2.530 82 V HA 0.046 4.166 4.120 0.000 0.000 0.282 82 V C 0.799 176.871 176.094 -0.038 0.000 1.048 82 V CA 0.029 62.258 62.300 -0.119 0.000 0.997 82 V CB 1.161 32.903 31.823 -0.136 0.000 0.987 82 V HN 0.746 nan 8.190 nan 0.000 0.477 83 I N 2.472 123.024 120.570 -0.031 0.000 4.288 83 I HA 0.352 4.522 4.170 0.000 0.000 0.331 83 I C 0.605 176.732 176.117 0.017 0.000 1.322 83 I CA 0.723 62.025 61.300 0.003 0.000 1.149 83 I CB 0.365 38.370 38.000 0.008 0.000 1.112 83 I HN 0.753 nan 8.210 nan 0.000 0.403 84 E N -0.121 120.088 120.200 0.015 0.000 2.392 84 E HA 0.478 4.828 4.350 0.000 0.000 0.279 84 E C -1.892 174.740 176.600 0.054 0.000 0.964 84 E CA -0.573 55.851 56.400 0.040 0.000 0.777 84 E CB 2.682 32.406 29.700 0.040 0.000 1.249 84 E HN -0.201 nan 8.360 nan 0.000 0.449 85 V N 2.708 122.678 119.914 0.092 0.000 2.969 85 V HA 0.619 4.739 4.120 0.000 0.000 0.304 85 V C -1.863 174.346 176.094 0.192 0.000 1.192 85 V CA -0.354 62.028 62.300 0.136 0.000 0.962 85 V CB 2.006 33.898 31.823 0.115 0.000 1.045 85 V HN 0.796 nan 8.190 nan 0.000 0.428 86 D N 2.381 122.951 120.400 0.282 0.000 2.615 86 D HA 0.312 4.952 4.640 0.000 0.000 0.267 86 D C 0.913 177.430 176.300 0.362 0.000 1.236 86 D CA 0.228 54.385 54.000 0.262 0.000 0.839 86 D CB 2.766 43.652 40.800 0.142 0.000 1.380 86 D HN 0.595 nan 8.370 nan 0.000 0.433 87 T N 0.019 114.700 114.554 0.211 0.000 2.701 87 T HA -0.194 4.156 4.350 0.000 0.000 0.265 87 T C 1.417 175.833 174.700 -0.472 0.000 1.032 87 T CA 1.963 64.084 62.100 0.034 0.000 1.158 87 T CB -0.158 68.677 68.868 -0.056 0.000 0.854 87 T HN 0.549 nan 8.240 nan 0.000 0.463 88 G N -0.795 107.797 108.800 -0.347 0.000 2.651 88 G HA2 0.479 4.439 3.960 0.000 0.000 0.207 88 G HA3 0.479 4.439 3.960 0.000 0.000 0.207 88 G C 0.297 174.895 174.900 -0.504 0.000 1.131 88 G CA 0.419 45.178 45.100 -0.569 0.000 0.816 88 G HN 0.719 nan 8.290 nan 0.000 0.534 89 Y N -1.692 118.587 120.300 -0.034 0.000 2.665 89 Y HA 0.753 5.304 4.550 0.000 0.000 0.336 89 Y C -0.949 175.197 175.900 0.410 0.000 1.085 89 Y CA -1.332 56.902 58.100 0.223 0.000 1.096 89 Y CB 1.505 40.031 38.460 0.111 0.000 1.301 89 Y HN 0.313 nan 8.280 nan 0.000 0.493 90 V N 1.059 121.167 119.914 0.324 0.000 2.823 90 V HA 0.706 4.826 4.120 0.000 0.000 0.312 90 V C -0.817 175.335 176.094 0.097 0.000 1.072 90 V CA -0.993 61.402 62.300 0.158 0.000 0.937 90 V CB 2.016 33.856 31.823 0.028 0.000 1.013 90 V HN 0.931 nan 8.190 nan 0.000 0.430 91 R N 3.965 124.482 120.500 0.029 0.000 2.335 91 R HA 0.499 4.840 4.340 0.000 0.000 0.302 91 R C -1.066 175.211 176.300 -0.039 0.000 1.147 91 R CA -0.231 55.883 56.100 0.024 0.000 1.111 91 R CB 1.519 31.837 30.300 0.031 0.000 1.122 91 R HN 0.588 nan 8.270 nan 0.000 0.557 92 V N 3.562 123.425 119.914 -0.085 0.000 2.567 92 V HA 0.363 4.483 4.120 0.000 0.000 0.289 92 V C -0.154 175.932 176.094 -0.012 0.000 1.049 92 V CA -0.666 61.537 62.300 -0.162 0.000 0.969 92 V CB 1.442 32.945 31.823 -0.533 0.000 0.995 92 V HN 0.638 nan 8.190 nan 0.000 0.471 93 R N 5.274 125.771 120.500 -0.005 0.000 2.230 93 R HA 0.405 4.746 4.340 0.000 0.000 0.337 93 R C -0.422 175.914 176.300 0.059 0.000 1.063 93 R CA -0.215 55.905 56.100 0.034 0.000 0.935 93 R CB 0.379 30.696 30.300 0.027 0.000 1.121 93 R HN 0.925 nan 8.270 nan 0.000 0.486 94 E N 4.169 124.422 120.200 0.088 0.000 2.246 94 E HA 0.153 4.503 4.350 0.000 0.000 0.266 94 E C -1.171 175.477 176.600 0.081 0.000 0.880 94 E CA -0.592 55.871 56.400 0.104 0.000 0.762 94 E CB 0.821 30.624 29.700 0.172 0.000 1.180 94 E HN 0.786 nan 8.360 nan 0.000 0.416 95 N N 3.641 122.377 118.700 0.061 0.000 2.725 95 N HA -0.251 4.489 4.740 0.000 0.000 0.256 95 N C 0.646 176.178 175.510 0.038 0.000 1.087 95 N CA 0.131 53.207 53.050 0.043 0.000 0.690 95 N CB -1.194 37.316 38.487 0.038 0.000 0.891 95 N HN 0.983 nan 8.380 nan 0.000 0.553 96 G N -0.950 107.872 108.800 0.037 0.000 3.246 96 G HA2 -0.349 3.611 3.960 0.000 0.000 0.227 96 G HA3 -0.349 3.611 3.960 0.000 0.000 0.227 96 G C 0.551 175.470 174.900 0.031 0.000 1.291 96 G CA 0.646 45.765 45.100 0.031 0.000 0.900 96 G HN 0.990 nan 8.290 nan 0.000 0.538 97 G N 0.140 108.960 108.800 0.034 0.000 2.437 97 G HA2 0.549 4.509 3.960 0.000 0.000 0.319 97 G HA3 0.549 4.509 3.960 0.000 0.000 0.319 97 G C -0.155 174.770 174.900 0.042 0.000 1.158 97 G CA 0.569 45.688 45.100 0.032 0.000 0.899 97 G HN 0.521 nan 8.290 nan 0.000 0.502 98 E N -0.453 119.767 120.200 0.033 0.000 2.345 98 E HA 0.562 4.912 4.350 0.000 0.000 0.259 98 E C -0.261 176.363 176.600 0.039 0.000 1.117 98 E CA -0.211 56.212 56.400 0.037 0.000 0.913 98 E CB 1.203 30.917 29.700 0.024 0.000 1.057 98 E HN 0.688 nan 8.360 nan 0.000 0.432 99 K N 0.625 121.059 120.400 0.057 0.000 2.557 99 K HA 0.381 4.701 4.320 0.000 0.000 0.261 99 K C -0.905 175.720 176.600 0.041 0.000 0.932 99 K CA -0.276 56.021 56.287 0.017 0.000 0.829 99 K CB 1.163 33.705 32.500 0.070 0.000 1.358 99 K HN 0.616 nan 8.250 nan 0.000 0.430 100 S N 0.981 116.635 115.700 -0.077 0.000 2.519 100 S HA 0.831 5.301 4.470 0.000 0.000 0.309 100 S C -0.758 173.823 174.600 -0.031 0.000 1.100 100 S CA -0.607 57.616 58.200 0.039 0.000 1.059 100 S CB 0.204 63.422 63.200 0.029 0.000 1.008 100 S HN 0.579 nan 8.310 nan 0.000 0.478 101 Y N 1.007 121.360 120.300 0.089 0.000 2.409 101 Y HA 0.522 5.072 4.550 0.000 0.000 0.339 101 Y C 0.700 176.701 175.900 0.169 0.000 1.033 101 Y CA -1.014 57.175 58.100 0.149 0.000 1.094 101 Y CB 1.271 39.881 38.460 0.251 0.000 1.210 101 Y HN 0.752 nan 8.280 nan 0.000 0.456 102 E N 3.757 124.115 120.200 0.263 0.000 2.345 102 E HA 0.243 4.593 4.350 0.000 0.000 0.259 102 E C -1.377 175.375 176.600 0.252 0.000 1.117 102 E CA -0.535 55.945 56.400 0.134 0.000 0.913 102 E CB 0.915 30.629 29.700 0.024 0.000 1.057 102 E HN 0.648 nan 8.360 nan 0.000 0.432 103 W N 3.054 124.361 121.300 0.011 0.000 3.573 103 W HA 0.288 4.948 4.660 0.000 0.000 0.306 103 W C -1.261 175.202 176.519 -0.093 0.000 1.227 103 W CA -0.631 56.705 57.345 -0.014 0.000 1.212 103 W CB 0.450 29.918 29.460 0.015 0.000 1.331 103 W HN 0.466 nan 8.180 nan 0.000 0.524 104 D N 1.171 121.616 120.400 0.076 0.000 2.388 104 D HA 0.061 4.701 4.640 0.000 0.000 0.208 104 D C -0.623 175.542 176.300 -0.225 0.000 1.035 104 D CA 1.137 54.967 54.000 -0.283 0.000 0.875 104 D CB 0.829 41.325 40.800 -0.506 0.000 0.984 104 D HN 0.160 nan 8.370 nan 0.000 0.508 105 Y N 0.220 120.820 120.300 0.500 0.000 2.421 105 Y HA 0.432 4.982 4.550 0.000 0.000 0.339 105 Y C -0.607 175.372 175.900 0.131 0.000 0.996 105 Y CA -1.067 57.251 58.100 0.363 0.000 1.046 105 Y CB 1.942 40.494 38.460 0.154 0.000 1.226 105 Y HN -0.264 nan 8.280 nan 0.000 0.445 106 L N 3.359 124.561 121.223 -0.034 0.000 2.354 106 L HA 0.922 5.262 4.340 0.000 0.000 0.269 106 L C -1.470 175.256 176.870 -0.241 0.000 1.005 106 L CA -0.943 53.586 54.840 -0.519 0.000 0.819 106 L CB 2.116 43.350 42.059 -1.375 0.000 1.311 106 L HN 0.404 nan 8.230 nan 0.000 0.423 107 V N 4.557 124.281 119.914 -0.316 0.000 2.524 107 V HA 0.383 4.503 4.120 0.000 0.000 0.297 107 V C -0.853 175.095 176.094 -0.244 0.000 1.035 107 V CA -0.430 61.780 62.300 -0.150 0.000 0.867 107 V CB 1.377 33.150 31.823 -0.083 0.000 1.004 107 V HN 0.511 nan 8.190 nan 0.000 0.426 108 F N 3.427 123.365 119.950 -0.019 0.000 2.413 108 F HA 0.592 5.119 4.527 0.000 0.000 0.359 108 F C 0.848 176.649 175.800 0.001 0.000 1.122 108 F CA -0.042 57.948 58.000 -0.018 0.000 1.160 108 F CB 1.497 40.490 39.000 -0.012 0.000 1.146 108 F HN 0.579 nan 8.300 nan 0.000 0.514 109 A N 2.644 125.540 122.820 0.127 0.000 2.585 109 A HA 0.163 4.483 4.320 0.000 0.000 0.281 109 A C 0.630 178.269 177.584 0.092 0.000 0.945 109 A CA -0.518 51.571 52.037 0.088 0.000 1.031 109 A CB -0.919 18.101 19.000 0.033 0.000 1.221 109 A HN 0.814 nan 8.150 nan 0.000 0.496 110 N N -0.062 118.717 118.700 0.132 0.000 2.434 110 N HA 0.347 5.087 4.740 0.000 0.000 0.196 110 N C 1.105 176.678 175.510 0.105 0.000 1.183 110 N CA 0.378 53.498 53.050 0.117 0.000 0.849 110 N CB 0.146 38.720 38.487 0.145 0.000 0.992 110 N HN 0.606 nan 8.380 nan 0.000 0.460 111 G N 0.499 109.364 108.800 0.107 0.000 2.574 111 G HA2 -0.119 3.841 3.960 0.000 0.000 0.295 111 G HA3 -0.119 3.841 3.960 0.000 0.000 0.295 111 G C -0.315 174.670 174.900 0.142 0.000 1.300 111 G CA 0.063 45.233 45.100 0.117 0.000 0.944 111 G HN 0.813 nan 8.290 nan 0.000 0.551 112 A N -1.468 121.445 122.820 0.155 0.000 2.454 112 A HA 0.869 5.189 4.320 0.000 0.000 0.302 112 A C -0.050 177.614 177.584 0.132 0.000 1.079 112 A CA 0.730 52.881 52.037 0.190 0.000 0.731 112 A CB 1.850 21.078 19.000 0.379 0.000 1.299 112 A HN 1.654 nan 8.150 nan 0.000 0.413 113 S N 1.144 116.915 115.700 0.118 0.000 2.621 113 S HA 0.722 5.192 4.470 0.000 0.000 0.302 113 S C -2.751 171.904 174.600 0.092 0.000 1.093 113 S CA -1.114 57.138 58.200 0.086 0.000 1.017 113 S CB 1.447 64.684 63.200 0.062 0.000 1.077 113 S HN 0.546 nan 8.310 nan 0.000 0.517 114 P HA 0.133 nan 4.420 nan 0.000 0.268 114 P C -1.089 176.250 177.300 0.065 0.000 1.205 114 P CA -0.145 62.997 63.100 0.071 0.000 0.771 114 P CB 0.280 32.015 31.700 0.057 0.000 0.858 115 Q N 2.749 122.591 119.800 0.069 0.000 2.400 115 Q HA 0.389 4.729 4.340 0.000 0.000 0.255 115 Q C -0.636 175.390 176.000 0.043 0.000 1.008 115 Q CA -0.867 54.970 55.803 0.056 0.000 0.841 115 Q CB 0.634 29.414 28.738 0.070 0.000 1.220 115 Q HN 0.338 nan 8.270 nan 0.000 0.474 116 V N 2.299 122.231 119.914 0.030 0.000 2.686 116 V HA 0.623 4.743 4.120 0.000 0.000 0.295 116 V C -2.311 173.793 176.094 0.016 0.000 1.057 116 V CA -1.553 60.760 62.300 0.020 0.000 1.012 116 V CB 0.422 32.252 31.823 0.011 0.000 1.006 116 V HN 0.694 nan 8.190 nan 0.000 0.477 117 P HA 0.466 nan 4.420 nan 0.000 0.274 117 P C -0.536 176.766 177.300 0.005 0.000 1.237 117 P CA -0.316 62.790 63.100 0.009 0.000 0.793 117 P CB 0.691 32.396 31.700 0.007 0.000 0.977 118 A N 2.616 125.439 122.820 0.004 0.000 3.015 118 A HA 0.513 4.833 4.320 0.000 0.000 0.293 118 A C 0.246 177.830 177.584 0.000 0.000 1.572 118 A CA -0.325 51.713 52.037 0.001 0.000 1.274 118 A CB -1.331 17.670 19.000 0.002 0.000 1.156 118 A HN 0.549 nan 8.150 nan 0.000 0.562 119 I N -2.647 117.922 120.570 -0.002 0.000 3.074 119 I HA 0.534 4.704 4.170 0.000 0.000 0.310 119 I C -0.047 176.065 176.117 -0.007 0.000 1.153 119 I CA -1.106 60.193 61.300 -0.003 0.000 0.993 119 I CB 1.604 39.603 38.000 -0.001 0.000 1.237 119 I HN 0.369 nan 8.210 nan 0.000 0.443 120 E N 2.416 122.612 120.200 -0.007 0.000 2.558 120 E HA 0.163 4.513 4.350 0.000 0.000 0.255 120 E C 0.900 177.491 176.600 -0.016 0.000 0.968 120 E CA 1.141 57.535 56.400 -0.010 0.000 0.939 120 E CB 0.204 29.900 29.700 -0.007 0.000 0.921 120 E HN 1.105 nan 8.360 nan 0.000 0.477 121 G N 3.410 112.198 108.800 -0.020 0.000 2.323 121 G HA2 -0.264 3.696 3.960 0.000 0.000 0.292 121 G HA3 -0.264 3.696 3.960 0.000 0.000 0.292 121 G C 0.702 175.577 174.900 -0.042 0.000 1.040 121 G CA 0.229 45.311 45.100 -0.030 0.000 0.942 121 G HN 0.503 nan 8.290 nan 0.000 0.506 122 V N -0.721 119.171 119.914 -0.038 0.000 2.867 122 V HA -0.116 4.004 4.120 0.000 0.000 0.260 122 V C 1.774 177.824 176.094 -0.072 0.000 1.099 122 V CA 2.351 64.623 62.300 -0.047 0.000 1.122 122 V CB -0.336 31.468 31.823 -0.031 0.000 0.708 122 V HN 0.661 nan 8.190 nan 0.000 0.490 123 N N -0.112 118.547 118.700 -0.069 0.000 2.458 123 N HA 0.292 5.032 4.740 0.000 0.000 0.274 123 N C -0.636 174.814 175.510 -0.100 0.000 1.242 123 N CA -0.367 52.630 53.050 -0.089 0.000 0.904 123 N CB 0.504 38.955 38.487 -0.061 0.000 1.206 123 N HN 0.196 nan 8.380 nan 0.000 0.510 124 L N 1.115 122.272 121.223 -0.111 0.000 2.397 124 L HA 0.157 4.497 4.340 0.000 0.000 0.271 124 L C 1.578 178.352 176.870 -0.159 0.000 1.148 124 L CA 0.298 55.076 54.840 -0.103 0.000 0.825 124 L CB 0.700 42.708 42.059 -0.086 0.000 1.117 124 L HN 0.097 nan 8.230 nan 0.000 0.456 125 K N 2.070 122.404 120.400 -0.110 0.000 2.228 125 K HA -0.180 4.140 4.320 0.000 0.000 0.205 125 K C 1.362 177.795 176.600 -0.280 0.000 1.045 125 K CA 1.440 57.666 56.287 -0.101 0.000 0.931 125 K CB -0.185 32.336 32.500 0.034 0.000 0.727 125 K HN 0.925 nan 8.250 nan 0.000 0.458 126 G N 0.386 108.996 108.800 -0.317 0.000 3.233 126 G HA2 0.131 4.091 3.960 0.000 0.000 0.227 126 G HA3 0.131 4.091 3.960 0.000 0.000 0.227 126 G C 0.021 174.580 174.900 -0.570 0.000 1.175 126 G CA -0.266 44.443 45.100 -0.652 0.000 0.781 126 G HN -0.038 nan 8.290 nan 0.000 0.542 127 V N 0.829 120.397 119.914 -0.577 0.000 2.472 127 V HA 0.696 4.816 4.120 0.000 0.000 0.290 127 V C -0.521 175.175 176.094 -0.663 0.000 1.037 127 V CA -0.521 61.524 62.300 -0.425 0.000 0.908 127 V CB 1.079 32.749 31.823 -0.255 0.000 0.985 127 V HN 0.130 nan 8.190 nan 0.000 0.454 128 F N 1.013 120.908 119.950 -0.091 0.000 2.706 128 F HA 0.792 5.319 4.527 0.000 0.000 0.328 128 F C 0.193 175.983 175.800 -0.016 0.000 1.123 128 F CA -0.631 57.341 58.000 -0.046 0.000 0.978 128 F CB 2.452 41.433 39.000 -0.031 0.000 1.404 128 F HN 0.490 nan 8.300 nan 0.000 0.497 129 T N -1.092 113.609 114.554 0.245 0.000 2.993 129 T HA 0.735 5.085 4.350 0.000 0.000 0.312 129 T C -1.196 173.573 174.700 0.115 0.000 1.115 129 T CA -0.887 61.294 62.100 0.134 0.000 1.027 129 T CB 1.443 70.363 68.868 0.087 0.000 1.116 129 T HN 0.880 nan 8.240 nan 0.000 0.464 130 A N 2.719 125.586 122.820 0.079 0.000 2.506 130 A HA 0.586 4.906 4.320 0.000 0.000 0.320 130 A C 0.319 177.908 177.584 0.010 0.000 1.424 130 A CA -0.329 51.729 52.037 0.035 0.000 1.044 130 A CB -0.201 18.819 19.000 0.034 0.000 1.140 130 A HN 0.961 nan 8.150 nan 0.000 0.538 131 D N 1.566 121.957 120.400 -0.015 0.000 2.988 131 D HA 0.339 4.980 4.640 0.000 0.000 0.159 131 D C 0.871 177.111 176.300 -0.100 0.000 1.304 131 D CA 0.541 54.520 54.000 -0.036 0.000 1.564 131 D CB -0.055 40.740 40.800 -0.008 0.000 1.421 131 D HN 0.600 nan 8.370 nan 0.000 0.178 132 L N 2.815 123.959 121.223 -0.132 0.000 2.559 132 L HA 0.195 4.535 4.340 0.000 0.000 0.282 132 L C -0.922 175.700 176.870 -0.413 0.000 1.232 132 L CA -0.317 54.361 54.840 -0.270 0.000 0.885 132 L CB -1.274 40.617 42.059 -0.279 0.000 1.131 132 L HN 0.288 nan 8.230 nan 0.000 0.498 133 P HA -0.209 nan 4.420 nan 0.000 0.220 133 P C -1.105 175.886 177.300 -0.515 0.000 1.155 133 P CA 2.423 65.162 63.100 -0.602 0.000 0.880 133 P CB -1.030 30.165 31.700 -0.843 0.000 0.790 134 P HA -0.188 nan 4.420 nan 0.000 0.217 134 P C 1.000 178.236 177.300 -0.108 0.000 1.148 134 P CA 1.530 64.492 63.100 -0.230 0.000 0.828 134 P CB -0.528 31.080 31.700 -0.154 0.000 0.783 135 D N 0.455 120.766 120.400 -0.148 0.000 2.133 135 D HA -0.200 4.440 4.640 0.000 0.000 0.192 135 D C 2.264 178.472 176.300 -0.152 0.000 1.001 135 D CA 2.129 56.070 54.000 -0.098 0.000 0.844 135 D CB -0.646 40.109 40.800 -0.074 0.000 0.944 135 D HN 0.134 nan 8.370 nan 0.000 0.447 136 A N 0.567 123.306 122.820 -0.134 0.000 1.851 136 A HA -0.104 4.216 4.320 0.000 0.000 0.216 136 A C 2.672 180.201 177.584 -0.092 0.000 1.195 136 A CA 2.714 54.679 52.037 -0.119 0.000 0.622 136 A CB -1.459 17.485 19.000 -0.093 0.000 0.831 136 A HN 0.285 nan 8.150 nan 0.000 0.444 137 L N -0.890 120.311 121.223 -0.037 0.000 1.990 137 L HA 0.074 4.414 4.340 0.000 0.000 0.213 137 L C 3.045 179.914 176.870 -0.001 0.000 1.072 137 L CA 3.198 58.044 54.840 0.009 0.000 0.755 137 L CB -2.238 39.868 42.059 0.078 0.000 0.889 137 L HN 0.776 nan 8.230 nan 0.000 0.432 138 A N -0.321 122.498 122.820 -0.001 0.000 1.849 138 A HA -0.034 4.286 4.320 0.000 0.000 0.217 138 A C 2.704 180.196 177.584 -0.153 0.000 1.202 138 A CA 3.868 55.920 52.037 0.025 0.000 0.629 138 A CB -1.314 17.753 19.000 0.112 0.000 0.834 138 A HN 1.617 nan 8.150 nan 0.000 0.447 139 I N -0.556 119.701 120.570 -0.522 0.000 2.118 139 I HA -0.272 3.898 4.170 0.000 0.000 0.241 139 I C 2.482 178.509 176.117 -0.149 0.000 1.070 139 I CA 2.752 63.632 61.300 -0.700 0.000 1.327 139 I CB -1.456 36.192 38.000 -0.586 0.000 1.034 139 I HN 0.419 nan 8.210 nan 0.000 0.405 140 R N 0.857 121.306 120.500 -0.085 0.000 2.152 140 R HA -0.087 4.253 4.340 0.000 0.000 0.232 140 R C 2.277 178.604 176.300 0.044 0.000 1.117 140 R CA 1.680 57.778 56.100 -0.002 0.000 0.981 140 R CB -1.353 28.928 30.300 -0.032 0.000 0.870 140 R HN 0.858 nan 8.270 nan 0.000 0.451 141 E N 0.474 120.705 120.200 0.052 0.000 2.006 141 E HA -0.194 4.156 4.350 0.000 0.000 0.192 141 E C 1.819 178.488 176.600 0.116 0.000 0.993 141 E CA 1.251 57.690 56.400 0.065 0.000 0.808 141 E CB -1.205 28.547 29.700 0.086 0.000 0.764 141 E HN 0.500 nan 8.360 nan 0.000 0.449 142 Y N 0.509 120.886 120.300 0.129 0.000 2.228 142 Y HA -0.304 4.246 4.550 0.000 0.000 0.285 142 Y C 2.938 178.978 175.900 0.235 0.000 1.178 142 Y CA 3.911 62.194 58.100 0.305 0.000 1.202 142 Y CB -0.266 38.498 38.460 0.507 0.000 0.974 142 Y HN 0.390 nan 8.280 nan 0.000 0.527 143 M N -0.343 119.484 119.600 0.377 0.000 2.287 143 M HA 0.198 4.678 4.480 0.000 0.000 0.266 143 M C 1.365 177.750 176.300 0.142 0.000 1.079 143 M CA 1.958 57.433 55.300 0.292 0.000 1.146 143 M CB -1.662 31.115 32.600 0.295 0.000 1.374 143 M HN 0.359 nan 8.290 nan 0.000 0.435 144 E N 0.791 121.037 120.200 0.077 0.000 2.280 144 E HA 0.521 4.872 4.350 0.000 0.000 0.279 144 E C 0.421 176.981 176.600 -0.066 0.000 1.325 144 E CA 0.140 56.547 56.400 0.012 0.000 1.486 144 E CB -0.325 nan 29.700 nan 0.000 1.466 144 E HN 0.827 nan 8.360 nan 0.000 0.473 145 K N -1.118 119.208 120.400 -0.122 0.000 2.958 145 K HA 0.058 4.379 4.320 0.000 0.000 0.299 145 K C -0.755 175.675 176.600 -0.283 0.000 2.901 145 K CA -0.375 55.734 56.287 -0.297 0.000 1.550 145 K CB 0.111 32.270 32.500 -0.568 0.000 3.146 145 K HN 0.331 nan 8.250 nan 0.000 0.326 146 Y N 3.074 123.284 120.300 -0.149 0.000 2.721 146 Y HA 0.158 4.708 4.550 0.000 0.000 0.329 146 Y C 0.633 176.492 175.900 -0.068 0.000 1.211 146 Y CA 0.468 58.458 58.100 -0.183 0.000 1.512 146 Y CB 0.243 38.426 38.460 -0.462 0.000 1.249 146 Y HN 0.327 nan 8.280 nan 0.000 0.549 147 K N 2.962 123.425 120.400 0.105 0.000 2.451 147 K HA 0.461 4.781 4.320 0.000 0.000 0.280 147 K C -0.737 175.940 176.600 0.128 0.000 1.020 147 K CA -0.348 55.994 56.287 0.092 0.000 1.008 147 K CB 0.280 32.821 32.500 0.068 0.000 0.917 147 K HN 0.543 nan 8.250 nan 0.000 0.478 148 V N 2.074 122.071 119.914 0.138 0.000 2.483 148 V HA 0.611 4.731 4.120 0.000 0.000 0.297 148 V C 1.055 177.216 176.094 0.111 0.000 1.027 148 V CA 0.054 62.447 62.300 0.155 0.000 0.855 148 V CB 0.950 32.906 31.823 0.221 0.000 0.995 148 V HN 1.080 nan 8.190 nan 0.000 0.424 149 E N 3.635 123.886 120.200 0.086 0.000 2.182 149 E HA 0.182 4.532 4.350 0.000 0.000 0.195 149 E C 0.539 177.172 176.600 0.055 0.000 0.933 149 E CA 0.452 56.894 56.400 0.070 0.000 0.940 149 E CB -0.038 nan 29.700 nan 0.000 0.945 149 E HN 0.748 nan 8.360 nan 0.000 0.477 150 N N -0.442 118.282 118.700 0.041 0.000 2.425 150 N HA 0.466 5.206 4.740 0.000 0.000 0.268 150 N C -1.187 174.307 175.510 -0.026 0.000 0.991 150 N CA -0.261 52.802 53.050 0.021 0.000 0.931 150 N CB 2.340 40.850 38.487 0.037 0.000 1.130 150 N HN 0.278 nan 8.380 nan 0.000 0.493 151 V N 3.127 122.991 119.914 -0.084 0.000 2.495 151 V HA 0.567 4.687 4.120 0.000 0.000 0.298 151 V C -0.989 175.010 176.094 -0.158 0.000 1.031 151 V CA -0.585 61.588 62.300 -0.213 0.000 0.871 151 V CB 1.488 32.987 31.823 -0.540 0.000 0.988 151 V HN 0.365 nan 8.190 nan 0.000 0.432 152 V N 8.229 128.058 119.914 -0.142 0.000 2.417 152 V HA 0.526 4.646 4.120 0.000 0.000 0.291 152 V C -0.023 176.013 176.094 -0.097 0.000 1.024 152 V CA -0.416 61.820 62.300 -0.107 0.000 0.861 152 V CB 1.633 33.411 31.823 -0.075 0.000 0.985 152 V HN 0.761 nan 8.190 nan 0.000 0.436 153 I N 5.870 126.395 120.570 -0.074 0.000 2.377 153 I HA 0.483 4.654 4.170 0.000 0.000 0.293 153 I C -0.535 175.556 176.117 -0.044 0.000 0.987 153 I CA -0.383 60.899 61.300 -0.029 0.000 1.185 153 I CB 1.724 39.738 38.000 0.024 0.000 1.341 153 I HN 0.437 nan 8.210 nan 0.000 0.455 154 I N 5.760 126.317 120.570 -0.022 0.000 2.354 154 I HA 0.678 4.848 4.170 0.000 0.000 0.286 154 I C 0.271 176.383 176.117 -0.008 0.000 1.007 154 I CA -0.305 60.978 61.300 -0.027 0.000 1.167 154 I CB 1.390 39.378 38.000 -0.020 0.000 1.320 154 I HN 0.784 nan 8.210 nan 0.000 0.458 155 G N 3.384 112.173 108.800 -0.019 0.000 2.627 155 G HA2 0.110 4.070 3.960 0.000 0.000 0.680 155 G HA3 0.110 4.070 3.960 0.000 0.000 0.680 155 G C -0.082 174.805 174.900 -0.021 0.000 1.341 155 G CA -0.480 44.614 45.100 -0.010 0.000 0.835 155 G HN 0.873 nan 8.290 nan 0.000 0.643 156 G N 0.077 108.857 108.800 -0.033 0.000 3.820 156 G HA2 0.645 4.605 3.960 0.000 0.000 0.293 156 G HA3 0.645 4.605 3.960 0.000 0.000 0.293 156 G C 0.920 175.774 174.900 -0.077 0.000 1.152 156 G CA 1.073 46.139 45.100 -0.056 0.000 0.921 156 G HN 1.291 nan 8.290 nan 0.000 0.544 157 G N -0.396 108.375 108.800 -0.049 0.000 2.494 157 G HA2 0.327 4.287 3.960 0.000 0.000 0.270 157 G HA3 0.327 4.287 3.960 0.000 0.000 0.270 157 G C 0.625 175.477 174.900 -0.079 0.000 1.423 157 G CA -0.484 44.567 45.100 -0.081 0.000 1.055 157 G HN 0.171 nan 8.290 nan 0.000 0.536 158 Y N 0.166 120.498 120.300 0.053 0.000 2.220 158 Y HA -0.042 4.508 4.550 0.000 0.000 0.291 158 Y C 2.839 178.765 175.900 0.043 0.000 1.129 158 Y CA 1.524 59.658 58.100 0.055 0.000 1.161 158 Y CB -0.440 38.050 38.460 0.051 0.000 0.997 158 Y HN 0.410 nan 8.280 nan 0.000 0.522 159 I N -2.019 118.678 120.570 0.212 0.000 2.226 159 I HA -0.125 4.045 4.170 0.000 0.000 0.245 159 I C 2.493 178.675 176.117 0.108 0.000 1.100 159 I CA 1.718 63.095 61.300 0.129 0.000 1.374 159 I CB -1.258 36.803 38.000 0.102 0.000 1.057 159 I HN 0.150 nan 8.210 nan 0.000 0.413 160 G N 2.110 110.964 108.800 0.090 0.000 2.433 160 G HA2 -0.137 3.823 3.960 0.000 0.000 0.216 160 G HA3 -0.137 3.823 3.960 0.000 0.000 0.216 160 G C 1.724 176.681 174.900 0.095 0.000 1.186 160 G CA 1.074 46.220 45.100 0.076 0.000 0.779 160 G HN 0.439 nan 8.290 nan 0.000 0.543 161 I N 0.640 121.259 120.570 0.083 0.000 2.226 161 I HA -0.163 4.008 4.170 0.000 0.000 0.245 161 I C 2.782 179.015 176.117 0.193 0.000 1.100 161 I CA 1.276 62.653 61.300 0.128 0.000 1.374 161 I CB -0.259 37.789 38.000 0.081 0.000 1.057 161 I HN 0.269 nan 8.210 nan 0.000 0.413 162 E N 0.181 120.465 120.200 0.139 0.000 2.106 162 E HA -0.202 4.148 4.350 0.000 0.000 0.192 162 E C 2.266 178.901 176.600 0.058 0.000 0.984 162 E CA 1.074 57.528 56.400 0.090 0.000 0.806 162 E CB -0.066 29.673 29.700 0.066 0.000 0.750 162 E HN 0.385 nan 8.360 nan 0.000 0.458 163 M N 0.319 119.974 119.600 0.092 0.000 2.175 163 M HA -0.076 4.404 4.480 0.000 0.000 0.264 163 M C 2.367 178.785 176.300 0.196 0.000 1.063 163 M CA 0.985 56.350 55.300 0.109 0.000 1.119 163 M CB -0.906 31.816 32.600 0.203 0.000 1.377 163 M HN 0.086 nan 8.290 nan 0.000 0.415 164 A N 0.004 122.965 122.820 0.234 0.000 1.845 164 A HA -0.219 4.101 4.320 0.000 0.000 0.215 164 A C 2.082 179.817 177.584 0.252 0.000 1.195 164 A CA 2.001 54.221 52.037 0.305 0.000 0.616 164 A CB -0.957 18.242 19.000 0.332 0.000 0.832 164 A HN 0.581 nan 8.150 nan 0.000 0.443 165 E N -0.044 120.255 120.200 0.165 0.000 2.187 165 E HA -0.229 4.121 4.350 0.000 0.000 0.199 165 E C 1.986 178.499 176.600 -0.146 0.000 1.004 165 E CA 1.292 57.580 56.400 -0.187 0.000 0.813 165 E CB -0.272 29.245 29.700 -0.305 0.000 0.736 165 E HN 0.563 nan 8.360 nan 0.000 0.468 166 A N 0.585 123.327 122.820 -0.129 0.000 1.821 166 A HA -0.132 4.188 4.320 0.000 0.000 0.215 166 A C 1.861 179.309 177.584 -0.227 0.000 1.214 166 A CA 1.451 53.331 52.037 -0.262 0.000 0.608 166 A CB -1.160 17.558 19.000 -0.471 0.000 0.862 166 A HN 0.348 nan 8.150 nan 0.000 0.448 167 F N 0.533 120.493 119.950 0.016 0.000 2.250 167 F HA -0.132 4.395 4.527 0.000 0.000 0.301 167 F C 2.730 178.556 175.800 0.042 0.000 1.077 167 F CA 0.907 58.926 58.000 0.032 0.000 1.348 167 F CB -0.639 38.388 39.000 0.045 0.000 1.040 167 F HN 0.259 nan 8.300 nan 0.000 0.509 168 A N -0.156 122.781 122.820 0.194 0.000 1.930 168 A HA 0.072 4.393 4.320 0.000 0.000 0.217 168 A C 2.316 179.948 177.584 0.081 0.000 1.175 168 A CA 1.371 53.502 52.037 0.158 0.000 0.627 168 A CB -1.075 18.034 19.000 0.180 0.000 0.815 168 A HN 0.265 nan 8.150 nan 0.000 0.443 169 A N -1.524 121.298 122.820 0.003 0.000 2.206 169 A HA 0.040 4.361 4.320 0.000 0.000 0.211 169 A C 1.802 179.385 177.584 -0.001 0.000 1.158 169 A CA 0.752 52.772 52.037 -0.027 0.000 0.761 169 A CB -0.172 18.773 19.000 -0.091 0.000 0.801 169 A HN 0.416 nan 8.150 nan 0.000 0.473 170 Q N -1.391 118.428 119.800 0.033 0.000 2.425 170 Q HA 0.129 4.469 4.340 0.000 0.000 0.204 170 Q C 1.433 177.478 176.000 0.075 0.000 0.933 170 Q CA 0.819 56.654 55.803 0.053 0.000 0.939 170 Q CB 0.274 29.074 28.738 0.104 0.000 1.044 170 Q HN 0.900 nan 8.270 nan 0.000 0.513 171 G N 0.908 109.756 108.800 0.081 0.000 2.225 171 G HA2 -0.277 3.683 3.960 0.000 0.000 0.254 171 G HA3 -0.277 3.683 3.960 0.000 0.000 0.254 171 G C 0.296 175.254 174.900 0.096 0.000 0.988 171 G CA 0.366 45.513 45.100 0.078 0.000 0.625 171 G HN 0.240 nan 8.290 nan 0.000 0.527 172 K N 1.130 121.606 120.400 0.127 0.000 2.276 172 K HA 0.344 4.664 4.320 0.000 0.000 0.259 172 K C 0.610 177.283 176.600 0.123 0.000 1.001 172 K CA -0.214 56.153 56.287 0.133 0.000 0.927 172 K CB 0.328 32.942 32.500 0.190 0.000 0.969 172 K HN 0.358 nan 8.250 nan 0.000 0.490 173 N N 1.312 120.068 118.700 0.093 0.000 2.472 173 N HA 0.187 4.927 4.740 0.000 0.000 0.277 173 N C -1.336 174.219 175.510 0.075 0.000 1.081 173 N CA -0.247 52.852 53.050 0.082 0.000 0.973 173 N CB 0.767 39.292 38.487 0.064 0.000 1.105 173 N HN 0.094 nan 8.380 nan 0.000 0.470 174 V N 2.265 122.232 119.914 0.088 0.000 2.604 174 V HA 0.472 4.592 4.120 0.000 0.000 0.305 174 V C -0.074 176.040 176.094 0.033 0.000 1.043 174 V CA -0.659 61.682 62.300 0.070 0.000 0.888 174 V CB 1.862 33.769 31.823 0.140 0.000 0.995 174 V HN 0.680 nan 8.190 nan 0.000 0.429 175 T N 5.381 119.923 114.554 -0.021 0.000 2.879 175 T HA 0.539 4.889 4.350 0.000 0.000 0.290 175 T C -0.621 174.000 174.700 -0.131 0.000 0.993 175 T CA -0.299 61.750 62.100 -0.086 0.000 0.975 175 T CB 1.400 70.185 68.868 -0.138 0.000 0.981 175 T HN 0.634 nan 8.240 nan 0.000 0.439 176 M N 4.371 123.892 119.600 -0.132 0.000 2.364 176 M HA 0.616 5.096 4.480 0.000 0.000 0.334 176 M C -1.562 174.636 176.300 -0.171 0.000 1.107 176 M CA -0.825 54.402 55.300 -0.122 0.000 0.988 176 M CB 0.837 33.387 32.600 -0.083 0.000 1.673 176 M HN 0.558 nan 8.290 nan 0.000 0.441 177 I N 5.428 125.903 120.570 -0.158 0.000 2.389 177 I HA 0.471 4.641 4.170 0.000 0.000 0.288 177 I C -0.826 175.238 176.117 -0.089 0.000 0.999 177 I CA -0.895 60.313 61.300 -0.154 0.000 1.129 177 I CB 1.798 39.691 38.000 -0.178 0.000 1.288 177 I HN 0.474 nan 8.210 nan 0.000 0.444 178 V N 5.612 125.482 119.914 -0.074 0.000 2.638 178 V HA 0.489 4.609 4.120 0.000 0.000 0.306 178 V C 0.824 176.896 176.094 -0.038 0.000 1.052 178 V CA -0.701 61.568 62.300 -0.052 0.000 0.885 178 V CB 1.835 33.623 31.823 -0.058 0.000 0.999 178 V HN 0.901 nan 8.190 nan 0.000 0.424 179 R N 4.134 124.619 120.500 -0.025 0.000 2.236 179 R HA 0.290 4.630 4.340 0.000 0.000 0.208 179 R C 0.853 177.143 176.300 -0.016 0.000 1.036 179 R CA 0.760 56.851 56.100 -0.015 0.000 1.001 179 R CB -0.243 30.053 30.300 -0.008 0.000 0.896 179 R HN 0.855 nan 8.270 nan 0.000 0.464 180 G N 1.511 110.298 108.800 -0.022 0.000 2.547 180 G HA2 0.049 4.009 3.960 0.000 0.000 0.291 180 G HA3 0.049 4.009 3.960 0.000 0.000 0.291 180 G C 0.501 175.385 174.900 -0.028 0.000 1.211 180 G CA -0.488 44.599 45.100 -0.022 0.000 0.950 180 G HN 0.275 nan 8.290 nan 0.000 0.504 181 E N -0.618 119.565 120.200 -0.028 0.000 2.418 181 E HA -0.066 4.284 4.350 0.000 0.000 0.197 181 E C 0.782 177.356 176.600 -0.043 0.000 1.026 181 E CA 0.574 56.955 56.400 -0.032 0.000 0.862 181 E CB -0.021 29.662 29.700 -0.029 0.000 0.799 181 E HN 0.681 nan 8.360 nan 0.000 0.518 182 R N -0.862 119.609 120.500 -0.048 0.000 2.728 182 R HA 0.419 4.759 4.340 0.000 0.000 0.274 182 R C -0.301 175.958 176.300 -0.068 0.000 1.032 182 R CA -0.554 55.508 56.100 -0.064 0.000 0.866 182 R CB 0.803 31.063 30.300 -0.067 0.000 1.263 182 R HN -0.070 nan 8.270 nan 0.000 0.475 183 V N 0.024 119.884 119.914 -0.090 0.000 3.051 183 V HA 0.271 4.391 4.120 0.000 0.000 0.306 183 V C 1.017 177.060 176.094 -0.086 0.000 1.083 183 V CA -0.245 61.995 62.300 -0.099 0.000 1.104 183 V CB 0.092 31.834 31.823 -0.134 0.000 1.027 183 V HN 0.879 nan 8.190 nan 0.000 0.483 184 L N 0.277 121.445 121.223 -0.093 0.000 3.839 184 L HA -0.229 4.111 4.340 0.000 0.000 0.416 184 L C 2.095 178.970 176.870 0.008 0.000 1.195 184 L CA 1.185 55.994 54.840 -0.052 0.000 0.946 184 L CB -1.373 40.697 42.059 0.018 0.000 1.891 184 L HN 1.034 nan 8.230 nan 0.000 0.963 185 R N 1.215 121.701 120.500 -0.023 0.000 2.153 185 R HA -0.202 4.138 4.340 0.000 0.000 0.252 185 R C 1.853 178.148 176.300 -0.008 0.000 1.158 185 R CA 2.471 58.561 56.100 -0.016 0.000 0.975 185 R CB -0.018 30.268 30.300 -0.022 0.000 0.871 185 R HN 0.571 nan 8.270 nan 0.000 0.450 186 R N -1.138 119.355 120.500 -0.012 0.000 2.365 186 R HA 0.178 4.518 4.340 0.000 0.000 0.223 186 R C 1.792 178.065 176.300 -0.044 0.000 0.899 186 R CA 0.401 56.491 56.100 -0.016 0.000 1.059 186 R CB 0.621 30.920 30.300 -0.001 0.000 1.086 186 R HN 0.138 nan 8.270 nan 0.000 0.522 187 S N -0.117 115.544 115.700 -0.065 0.000 2.475 187 S HA 0.219 4.689 4.470 0.000 0.000 0.224 187 S C 0.027 174.332 174.600 -0.492 0.000 1.042 187 S CA 0.497 58.553 58.200 -0.240 0.000 0.935 187 S CB 0.290 63.345 63.200 -0.242 0.000 0.801 187 S HN 0.010 nan 8.310 nan 0.000 0.509 188 F N 1.362 121.285 119.950 -0.046 0.000 2.603 188 F HA 0.450 4.977 4.527 0.000 0.000 0.317 188 F C -0.161 175.597 175.800 -0.070 0.000 1.066 188 F CA -1.406 56.567 58.000 -0.045 0.000 0.941 188 F CB 0.957 39.926 39.000 -0.052 0.000 1.291 188 F HN -0.182 nan 8.300 nan 0.000 0.472 189 D N 0.925 121.390 120.400 0.109 0.000 2.344 189 D HA 0.078 4.718 4.640 0.000 0.000 0.244 189 D C 1.056 177.324 176.300 -0.053 0.000 1.134 189 D CA -0.076 53.918 54.000 -0.010 0.000 0.930 189 D CB 1.207 41.968 40.800 -0.066 0.000 1.175 189 D HN 0.537 nan 8.370 nan 0.000 0.437 190 K N 1.222 121.567 120.400 -0.092 0.000 2.044 190 K HA -0.197 4.123 4.320 0.000 0.000 0.210 190 K C 1.561 178.048 176.600 -0.188 0.000 1.049 190 K CA 1.386 57.603 56.287 -0.117 0.000 0.927 190 K CB 0.118 32.556 32.500 -0.102 0.000 0.713 190 K HN 0.462 nan 8.250 nan 0.000 0.443 191 E N 0.461 120.482 120.200 -0.300 0.000 2.333 191 E HA -0.129 4.221 4.350 0.000 0.000 0.198 191 E C 1.766 178.095 176.600 -0.452 0.000 1.007 191 E CA 1.115 57.235 56.400 -0.466 0.000 0.845 191 E CB -0.131 29.037 29.700 -0.887 0.000 0.766 191 E HN 0.234 nan 8.360 nan 0.000 0.507 192 V N 1.947 121.675 119.914 -0.310 0.000 2.374 192 V HA -0.170 3.950 4.120 0.000 0.000 0.241 192 V C 2.778 178.762 176.094 -0.185 0.000 1.034 192 V CA 1.924 64.131 62.300 -0.155 0.000 1.037 192 V CB -0.875 30.927 31.823 -0.034 0.000 0.682 192 V HN 0.445 nan 8.190 nan 0.000 0.463 193 T N -1.877 112.570 114.554 -0.177 0.000 2.881 193 T HA -0.226 4.124 4.350 0.000 0.000 0.270 193 T C 1.480 176.069 174.700 -0.185 0.000 1.068 193 T CA 1.614 63.597 62.100 -0.194 0.000 1.131 193 T CB -0.503 68.281 68.868 -0.140 0.000 0.871 193 T HN 0.356 nan 8.240 nan 0.000 0.479 194 D N 1.364 121.655 120.400 -0.181 0.000 2.149 194 D HA -0.021 4.620 4.640 0.000 0.000 0.198 194 D C 1.867 178.046 176.300 -0.202 0.000 0.990 194 D CA 0.643 54.539 54.000 -0.172 0.000 0.839 194 D CB -0.378 40.325 40.800 -0.161 0.000 0.948 194 D HN 0.366 nan 8.370 nan 0.000 0.460 195 I N 0.290 120.696 120.570 -0.274 0.000 2.179 195 I HA -0.195 3.975 4.170 0.000 0.000 0.242 195 I C 2.309 178.312 176.117 -0.191 0.000 1.088 195 I CA 0.595 61.693 61.300 -0.337 0.000 1.357 195 I CB -0.463 37.197 38.000 -0.567 0.000 1.051 195 I HN 0.005 nan 8.210 nan 0.000 0.409 196 L N 0.530 121.648 121.223 -0.175 0.000 1.989 196 L HA -0.226 4.114 4.340 0.000 0.000 0.211 196 L C 2.450 179.219 176.870 -0.168 0.000 1.071 196 L CA 1.897 56.652 54.840 -0.141 0.000 0.749 196 L CB -0.736 41.216 42.059 -0.179 0.000 0.890 196 L HN 0.278 nan 8.230 nan 0.000 0.431 197 E N -0.627 119.464 120.200 -0.182 0.000 2.171 197 E HA -0.332 4.018 4.350 0.000 0.000 0.197 197 E C 1.992 178.509 176.600 -0.138 0.000 0.997 197 E CA 1.422 57.713 56.400 -0.181 0.000 0.810 197 E CB -0.155 29.456 29.700 -0.148 0.000 0.738 197 E HN 0.661 nan 8.360 nan 0.000 0.467 198 E N 1.527 121.663 120.200 -0.107 0.000 2.058 198 E HA -0.263 4.087 4.350 0.000 0.000 0.194 198 E C 2.014 178.607 176.600 -0.013 0.000 0.997 198 E CA 1.745 58.110 56.400 -0.059 0.000 0.801 198 E CB 0.033 29.695 29.700 -0.062 0.000 0.746 198 E HN -0.068 nan 8.360 nan 0.000 0.450 199 K N -0.066 120.335 120.400 0.001 0.000 2.155 199 K HA -0.072 4.248 4.320 0.000 0.000 0.203 199 K C 1.981 178.625 176.600 0.073 0.000 1.052 199 K CA 0.892 57.242 56.287 0.106 0.000 0.948 199 K CB -0.446 32.145 32.500 0.153 0.000 0.728 199 K HN 0.241 nan 8.250 nan 0.000 0.448 200 L N 1.271 122.361 121.223 -0.221 0.000 2.046 200 L HA -0.097 4.243 4.340 0.000 0.000 0.208 200 L C 1.523 178.272 176.870 -0.201 0.000 1.077 200 L CA 1.860 56.369 54.840 -0.552 0.000 0.747 200 L CB -0.310 41.367 42.059 -0.637 0.000 0.896 200 L HN 0.086 nan 8.230 nan 0.000 0.432 201 K N -0.601 119.736 120.400 -0.104 0.000 2.442 201 K HA -0.115 4.205 4.320 0.000 0.000 0.198 201 K C 1.454 178.061 176.600 0.011 0.000 1.044 201 K CA 0.874 57.134 56.287 -0.046 0.000 0.948 201 K CB -0.031 32.443 32.500 -0.044 0.000 0.762 201 K HN 0.361 nan 8.250 nan 0.000 0.472 202 K N -0.458 119.994 120.400 0.087 0.000 2.374 202 K HA 0.039 4.359 4.320 0.000 0.000 0.196 202 K C 0.306 176.837 176.600 -0.114 0.000 1.023 202 K CA 0.501 56.808 56.287 0.034 0.000 1.103 202 K CB 0.407 32.948 32.500 0.068 0.000 0.848 202 K HN 0.221 nan 8.250 nan 0.000 0.528 203 H N -1.450 117.683 119.070 0.104 0.000 3.680 203 H HA 0.221 4.777 4.556 0.000 0.000 0.260 203 H C -0.657 174.758 175.328 0.146 0.000 1.183 203 H CA -0.195 55.949 56.048 0.160 0.000 1.159 203 H CB 1.187 31.125 29.762 0.293 0.000 1.567 203 H HN -0.198 nan 8.280 nan 0.000 0.648 204 V N 0.725 120.746 119.914 0.179 0.000 3.049 204 V HA 0.155 4.275 4.120 0.000 0.000 0.309 204 V C -0.537 175.572 176.094 0.025 0.000 1.148 204 V CA -1.214 61.146 62.300 0.100 0.000 0.990 204 V CB 2.738 34.606 31.823 0.075 0.000 1.039 204 V HN 0.361 nan 8.190 nan 0.000 0.430 205 N N 2.409 121.116 118.700 0.012 0.000 2.439 205 N HA 0.318 5.058 4.740 0.000 0.000 0.243 205 N C -1.017 174.464 175.510 -0.048 0.000 1.088 205 N CA -0.575 52.472 53.050 -0.005 0.000 0.940 205 N CB 0.640 39.139 38.487 0.019 0.000 1.180 205 N HN 0.513 nan 8.380 nan 0.000 0.505 206 L N 4.758 125.948 121.223 -0.055 0.000 2.278 206 L HA 0.324 4.664 4.340 0.000 0.000 0.287 206 L C -0.447 176.382 176.870 -0.068 0.000 1.072 206 L CA -0.299 54.492 54.840 -0.081 0.000 0.819 206 L CB 0.397 42.400 42.059 -0.094 0.000 1.176 206 L HN 0.449 nan 8.230 nan 0.000 0.435 207 R N 6.725 127.169 120.500 -0.095 0.000 2.278 207 R HA 0.425 4.765 4.340 0.000 0.000 0.322 207 R C -0.933 175.331 176.300 -0.060 0.000 1.058 207 R CA -0.449 55.609 56.100 -0.070 0.000 0.991 207 R CB 0.259 30.479 30.300 -0.132 0.000 1.140 207 R HN 0.623 nan 8.270 nan 0.000 0.518 208 L N 2.118 123.318 121.223 -0.039 0.000 2.399 208 L HA 0.262 4.602 4.340 0.000 0.000 0.266 208 L C 0.929 177.788 176.870 -0.019 0.000 1.114 208 L CA -0.467 54.351 54.840 -0.036 0.000 0.804 208 L CB 0.552 42.588 42.059 -0.040 0.000 1.146 208 L HN 0.576 nan 8.230 nan 0.000 0.451 209 Q N 0.231 120.020 119.800 -0.019 0.000 2.487 209 Q HA -0.182 4.158 4.340 0.000 0.000 0.279 209 Q C -0.853 175.148 176.000 0.002 0.000 1.228 209 Q CA 0.768 56.566 55.803 -0.009 0.000 0.873 209 Q CB -1.108 27.626 28.738 -0.007 0.000 1.260 209 Q HN 0.624 nan 8.270 nan 0.000 0.471 210 E N 0.416 120.616 120.200 0.001 0.000 2.191 210 E HA 0.377 4.727 4.350 0.000 0.000 0.263 210 E C -0.748 175.859 176.600 0.011 0.000 0.881 210 E CA -0.802 55.609 56.400 0.018 0.000 0.757 210 E CB 1.175 30.899 29.700 0.039 0.000 1.147 210 E HN 0.080 nan 8.360 nan 0.000 0.414 211 I N 2.691 123.272 120.570 0.017 0.000 2.337 211 I HA 0.044 4.214 4.170 0.000 0.000 0.291 211 I C 0.567 176.697 176.117 0.022 0.000 1.046 211 I CA 0.123 61.431 61.300 0.014 0.000 1.324 211 I CB 0.840 38.848 38.000 0.012 0.000 1.409 211 I HN 0.348 nan 8.210 nan 0.000 0.494 212 T N 7.371 121.935 114.554 0.016 0.000 2.940 212 T HA 0.189 4.539 4.350 0.000 0.000 0.309 212 T C 1.136 175.848 174.700 0.020 0.000 1.056 212 T CA 0.208 62.321 62.100 0.022 0.000 1.137 212 T CB 0.706 69.579 68.868 0.009 0.000 0.976 212 T HN 0.549 nan 8.240 nan 0.000 0.547 213 M N 0.891 120.506 119.600 0.024 0.000 2.180 213 M HA 0.249 4.729 4.480 0.000 0.000 0.266 213 M C 0.690 176.997 176.300 0.012 0.000 1.200 213 M CA 0.086 55.395 55.300 0.016 0.000 1.101 213 M CB 0.552 33.161 32.600 0.016 0.000 1.769 213 M HN 0.565 nan 8.290 nan 0.000 0.609 214 K N 1.647 122.056 120.400 0.016 0.000 2.527 214 K HA 0.822 5.142 4.320 0.000 0.000 0.260 214 K C -1.492 175.114 176.600 0.011 0.000 0.937 214 K CA -0.549 55.743 56.287 0.009 0.000 0.826 214 K CB 1.295 nan 32.500 nan 0.000 1.359 214 K HN 0.241 nan 8.250 nan 0.000 0.434 215 I N 2.961 123.530 120.570 -0.001 0.000 2.448 215 I HA 0.331 4.501 4.170 0.000 0.000 0.281 215 I C -0.020 176.090 176.117 -0.012 0.000 1.027 215 I CA -0.739 60.558 61.300 -0.006 0.000 1.111 215 I CB 1.657 39.644 38.000 -0.022 0.000 1.236 215 I HN 0.874 nan 8.210 nan 0.000 0.452 216 E N 4.868 125.064 120.200 -0.007 0.000 2.299 216 E HA 0.934 5.284 4.350 0.000 0.000 0.265 216 E C -0.504 176.090 176.600 -0.011 0.000 0.911 216 E CA -1.181 55.213 56.400 -0.011 0.000 0.789 216 E CB 3.139 32.835 29.700 -0.007 0.000 1.246 216 E HN 0.626 nan 8.360 nan 0.000 0.427 217 G N 0.583 109.375 108.800 -0.013 0.000 2.387 217 G HA2 0.081 4.041 3.960 0.000 0.000 0.294 217 G HA3 0.081 4.041 3.960 0.000 0.000 0.294 217 G C -0.180 174.711 174.900 -0.015 0.000 1.509 217 G CA -0.634 44.459 45.100 -0.012 0.000 0.806 217 G HN 0.376 nan 8.290 nan 0.000 0.546 218 E N 0.149 120.340 120.200 -0.014 0.000 1.984 218 E HA -0.088 4.262 4.350 0.000 0.000 0.203 218 E C 1.755 178.343 176.600 -0.020 0.000 0.998 218 E CA 1.323 57.714 56.400 -0.015 0.000 0.865 218 E CB 0.099 29.790 29.700 -0.014 0.000 0.806 218 E HN 0.540 nan 8.360 nan 0.000 0.504 219 E N 0.113 120.297 120.200 -0.026 0.000 2.290 219 E HA 0.045 4.395 4.350 0.000 0.000 0.197 219 E C 0.843 177.420 176.600 -0.037 0.000 0.948 219 E CA 0.264 56.645 56.400 -0.031 0.000 0.895 219 E CB 0.362 30.041 29.700 -0.036 0.000 0.865 219 E HN 0.267 nan 8.360 nan 0.000 0.486 220 R N -0.244 120.235 120.500 -0.035 0.000 2.740 220 R HA 0.640 4.980 4.340 0.000 0.000 0.282 220 R C 0.300 176.595 176.300 -0.007 0.000 0.969 220 R CA -0.626 55.464 56.100 -0.015 0.000 0.918 220 R CB 0.963 31.263 30.300 -0.001 0.000 1.175 220 R HN -0.153 nan 8.270 nan 0.000 0.464 221 V N 1.422 121.326 119.914 -0.017 0.000 2.625 221 V HA 0.125 4.246 4.120 0.000 0.000 0.305 221 V C 1.073 177.171 176.094 0.007 0.000 1.055 221 V CA 1.645 63.932 62.300 -0.021 0.000 1.209 221 V CB -0.269 31.521 31.823 -0.055 0.000 0.877 221 V HN 1.110 nan 8.190 nan 0.000 0.489 222 E N 3.395 123.597 120.200 0.003 0.000 2.288 222 E HA 0.592 4.942 4.350 0.000 0.000 0.200 222 E C 1.114 177.724 176.600 0.017 0.000 0.880 222 E CA 1.662 58.069 56.400 0.012 0.000 0.971 222 E CB -0.030 29.673 29.700 0.006 0.000 0.954 222 E HN 1.867 nan 8.360 nan 0.000 0.489 223 K N -1.052 119.357 120.400 0.014 0.000 2.499 223 K HA 0.824 5.144 4.320 0.000 0.000 0.277 223 K C -1.173 175.449 176.600 0.035 0.000 1.025 223 K CA 0.054 56.358 56.287 0.029 0.000 0.900 223 K CB 1.485 33.997 32.500 0.020 0.000 1.494 223 K HN 0.694 nan 8.250 nan 0.000 0.442 224 V N 0.765 120.724 119.914 0.075 0.000 2.656 224 V HA 0.767 4.887 4.120 0.000 0.000 0.307 224 V C -1.030 175.139 176.094 0.125 0.000 1.051 224 V CA -0.607 61.745 62.300 0.087 0.000 0.893 224 V CB 1.384 33.260 31.823 0.088 0.000 0.999 224 V HN 1.034 nan 8.190 nan 0.000 0.426 225 V N 6.041 126.005 119.914 0.083 0.000 2.495 225 V HA 0.811 4.932 4.120 0.000 0.000 0.298 225 V C -0.249 175.897 176.094 0.086 0.000 1.031 225 V CA 0.304 62.646 62.300 0.070 0.000 0.871 225 V CB 2.073 33.908 31.823 0.021 0.000 0.988 225 V HN 1.042 nan 8.190 nan 0.000 0.432 226 T N 2.984 117.606 114.554 0.113 0.000 2.930 226 T HA 0.336 4.686 4.350 0.000 0.000 0.290 226 T C 0.558 175.297 174.700 0.065 0.000 1.052 226 T CA 0.097 62.261 62.100 0.106 0.000 1.017 226 T CB 1.524 70.502 68.868 0.183 0.000 1.137 226 T HN 0.942 nan 8.240 nan 0.000 0.511 227 D N 1.015 121.444 120.400 0.049 0.000 2.407 227 D HA 0.048 4.689 4.640 0.000 0.000 0.234 227 D C 1.016 177.334 176.300 0.030 0.000 1.029 227 D CA 0.668 54.686 54.000 0.029 0.000 0.937 227 D CB -0.086 40.727 40.800 0.022 0.000 0.882 227 D HN 0.452 nan 8.370 nan 0.000 0.531 228 A N -1.066 121.783 122.820 0.049 0.000 2.427 228 A HA 0.648 4.968 4.320 0.000 0.000 0.225 228 A C 1.038 178.627 177.584 0.008 0.000 1.257 228 A CA 0.397 52.458 52.037 0.040 0.000 0.985 228 A CB 1.036 20.077 19.000 0.069 0.000 1.136 228 A HN 0.504 nan 8.150 nan 0.000 0.538 229 G N -1.855 106.938 108.800 -0.013 0.000 2.392 229 G HA2 0.604 4.565 3.960 0.000 0.000 0.260 229 G HA3 0.604 4.565 3.960 0.000 0.000 0.260 229 G C -1.289 173.484 174.900 -0.213 0.000 1.226 229 G CA 0.750 45.759 45.100 -0.151 0.000 0.913 229 G HN 0.988 nan 8.290 nan 0.000 0.483 230 E N -1.419 118.490 120.200 -0.485 0.000 2.343 230 E HA 0.732 5.082 4.350 0.000 0.000 0.278 230 E C -2.010 174.186 176.600 -0.673 0.000 0.910 230 E CA -0.864 55.316 56.400 -0.366 0.000 0.757 230 E CB 1.885 31.486 29.700 -0.166 0.000 1.218 230 E HN 0.983 nan 8.360 nan 0.000 0.435 231 Y N 0.062 120.357 120.300 -0.009 0.000 2.536 231 Y HA 0.531 5.081 4.550 0.000 0.000 0.347 231 Y C 0.497 176.391 175.900 -0.010 0.000 1.000 231 Y CA -1.284 56.810 58.100 -0.009 0.000 1.051 231 Y CB 2.470 40.923 38.460 -0.010 0.000 1.259 231 Y HN 0.687 nan 8.280 nan 0.000 0.468 232 K N 1.358 121.832 120.400 0.123 0.000 2.172 232 K HA 0.940 5.260 4.320 0.000 0.000 0.276 232 K C -1.216 175.424 176.600 0.066 0.000 1.013 232 K CA -0.660 55.669 56.287 0.069 0.000 0.913 232 K CB 1.624 34.149 32.500 0.043 0.000 1.055 232 K HN 0.716 nan 8.250 nan 0.000 0.461 233 A N 2.865 125.710 122.820 0.043 0.000 2.488 233 A HA 0.352 4.672 4.320 0.000 0.000 0.298 233 A C -0.739 176.861 177.584 0.026 0.000 1.044 233 A CA -0.771 51.279 52.037 0.021 0.000 0.693 233 A CB 1.746 20.746 19.000 -0.000 0.000 1.272 233 A HN 0.820 nan 8.150 nan 0.000 0.402 234 E N 0.379 120.602 120.200 0.039 0.000 2.389 234 E HA 0.261 4.611 4.350 0.000 0.000 0.199 234 E C -0.144 176.526 176.600 0.117 0.000 0.978 234 E CA 0.385 56.848 56.400 0.105 0.000 0.912 234 E CB 0.886 30.672 29.700 0.143 0.000 0.907 234 E HN 0.410 nan 8.360 nan 0.000 0.494 235 L N 0.832 122.053 121.223 -0.005 0.000 2.526 235 L HA 0.448 4.788 4.340 0.000 0.000 0.263 235 L C -1.586 175.196 176.870 -0.148 0.000 0.943 235 L CA -1.029 53.752 54.840 -0.098 0.000 0.859 235 L CB 1.809 43.820 42.059 -0.080 0.000 1.313 235 L HN -0.094 nan 8.230 nan 0.000 0.406 236 V N 2.726 122.570 119.914 -0.117 0.000 2.656 236 V HA 0.645 4.766 4.120 0.000 0.000 0.307 236 V C -0.582 175.496 176.094 -0.026 0.000 1.051 236 V CA -0.763 61.481 62.300 -0.094 0.000 0.893 236 V CB 2.329 34.108 31.823 -0.073 0.000 0.999 236 V HN 0.525 nan 8.190 nan 0.000 0.426 237 I N 5.191 125.751 120.570 -0.016 0.000 2.339 237 I HA 0.397 4.567 4.170 0.000 0.000 0.290 237 I C -0.557 175.588 176.117 0.046 0.000 0.994 237 I CA -0.585 60.754 61.300 0.065 0.000 1.191 237 I CB 1.502 39.574 38.000 0.120 0.000 1.343 237 I HN 0.537 nan 8.210 nan 0.000 0.458 238 L N 6.623 127.879 121.223 0.056 0.000 2.302 238 L HA 0.363 4.703 4.340 0.000 0.000 0.285 238 L C 0.741 177.644 176.870 0.055 0.000 1.090 238 L CA 0.084 54.947 54.840 0.039 0.000 0.866 238 L CB 0.670 42.746 42.059 0.028 0.000 1.244 238 L HN 0.686 nan 8.230 nan 0.000 0.435 239 A N 1.588 124.438 122.820 0.051 0.000 3.215 239 A HA 0.472 4.792 4.320 0.000 0.000 0.320 239 A C 0.951 178.564 177.584 0.049 0.000 1.084 239 A CA -0.062 52.010 52.037 0.059 0.000 0.969 239 A CB -0.391 18.650 19.000 0.068 0.000 1.064 239 A HN 0.643 nan 8.150 nan 0.000 0.513 240 T N -3.018 111.564 114.554 0.047 0.000 3.054 240 T HA 0.535 4.885 4.350 0.000 0.000 0.255 240 T C 0.721 175.455 174.700 0.058 0.000 1.035 240 T CA 0.318 62.443 62.100 0.042 0.000 0.941 240 T CB 0.414 69.301 68.868 0.031 0.000 1.026 240 T HN 1.682 nan 8.240 nan 0.000 0.533 241 G N 0.617 109.462 108.800 0.074 0.000 2.352 241 G HA2 0.404 4.364 3.960 0.000 0.000 0.305 241 G HA3 0.404 4.364 3.960 0.000 0.000 0.305 241 G C -1.944 173.027 174.900 0.118 0.000 1.537 241 G CA -0.848 44.312 45.100 0.100 0.000 0.959 241 G HN 0.439 nan 8.290 nan 0.000 0.668 242 I N -0.393 120.281 120.570 0.173 0.000 2.846 242 I HA 0.921 5.091 4.170 0.000 0.000 0.307 242 I C -0.853 175.479 176.117 0.358 0.000 1.053 242 I CA -1.279 60.155 61.300 0.223 0.000 1.050 242 I CB 2.144 40.248 38.000 0.174 0.000 1.239 242 I HN 0.611 nan 8.210 nan 0.000 0.439 243 K N 5.880 126.473 120.400 0.321 0.000 2.525 243 K HA 0.535 4.855 4.320 0.000 0.000 0.254 243 K C -2.795 173.847 176.600 0.069 0.000 0.934 243 K CA -1.732 54.646 56.287 0.153 0.000 0.802 243 K CB 2.487 35.014 32.500 0.045 0.000 1.295 243 K HN 0.212 nan 8.250 nan 0.000 0.433 244 P HA 0.081 nan 4.420 nan 0.000 0.268 244 P C -1.033 176.218 177.300 -0.083 0.000 1.204 244 P CA -0.337 62.667 63.100 -0.160 0.000 0.768 244 P CB 0.405 31.815 31.700 -0.483 0.000 0.842 245 N N 3.279 121.973 118.700 -0.010 0.000 3.124 245 N HA 0.090 4.830 4.740 0.000 0.000 0.284 245 N C 0.867 176.355 175.510 -0.038 0.000 1.209 245 N CA -0.022 53.026 53.050 -0.003 0.000 1.149 245 N CB -0.229 38.285 38.487 0.045 0.000 1.434 245 N HN 0.496 nan 8.380 nan 0.000 0.529 246 I N -2.593 117.920 120.570 -0.094 0.000 3.812 246 I HA 0.164 4.334 4.170 0.000 0.000 0.320 246 I C 1.186 177.224 176.117 -0.132 0.000 1.276 246 I CA 0.029 61.238 61.300 -0.152 0.000 1.164 246 I CB 0.241 38.136 38.000 -0.174 0.000 1.009 246 I HN -0.135 nan 8.210 nan 0.000 0.431 247 E N 1.472 121.632 120.200 -0.068 0.000 2.077 247 E HA -0.155 4.195 4.350 0.000 0.000 0.193 247 E C 2.003 178.590 176.600 -0.022 0.000 0.989 247 E CA 1.110 57.486 56.400 -0.040 0.000 0.800 247 E CB -0.156 29.538 29.700 -0.011 0.000 0.746 247 E HN 0.432 nan 8.360 nan 0.000 0.452 248 L N 0.455 121.688 121.223 0.017 0.000 2.217 248 L HA 0.027 4.367 4.340 0.000 0.000 0.211 248 L C 2.049 178.966 176.870 0.079 0.000 1.107 248 L CA 1.201 56.104 54.840 0.104 0.000 0.783 248 L CB -0.740 41.451 42.059 0.219 0.000 0.919 248 L HN 0.001 nan 8.230 nan 0.000 0.442 249 A N -1.133 121.539 122.820 -0.247 0.000 1.898 249 A HA -0.123 4.197 4.320 0.000 0.000 0.214 249 A C 2.250 179.688 177.584 -0.244 0.000 1.183 249 A CA 0.979 52.631 52.037 -0.642 0.000 0.622 249 A CB -0.273 18.066 19.000 -1.103 0.000 0.824 249 A HN 0.319 nan 8.150 nan 0.000 0.444 250 K N -0.389 119.912 120.400 -0.165 0.000 2.152 250 K HA -0.219 4.101 4.320 0.000 0.000 0.206 250 K C 2.218 178.797 176.600 -0.034 0.000 1.048 250 K CA 1.539 57.772 56.287 -0.089 0.000 0.933 250 K CB -0.170 32.286 32.500 -0.072 0.000 0.721 250 K HN 0.658 nan 8.250 nan 0.000 0.447 251 Q N 0.790 120.585 119.800 -0.007 0.000 2.170 251 Q HA -0.078 4.262 4.340 0.000 0.000 0.203 251 Q C 1.758 177.794 176.000 0.060 0.000 0.976 251 Q CA 0.899 56.722 55.803 0.033 0.000 0.858 251 Q CB 0.113 28.885 28.738 0.056 0.000 0.907 251 Q HN 0.292 nan 8.270 nan 0.000 0.433 252 L N -0.861 120.410 121.223 0.081 0.000 2.592 252 L HA 0.151 4.491 4.340 0.000 0.000 0.227 252 L C 0.691 177.612 176.870 0.084 0.000 1.127 252 L CA 0.655 55.571 54.840 0.127 0.000 0.884 252 L CB 0.054 42.252 42.059 0.231 0.000 1.065 252 L HN 0.555 nan 8.230 nan 0.000 0.457 253 G N 0.182 109.002 108.800 0.033 0.000 2.148 253 G HA2 -0.254 3.707 3.960 0.000 0.000 0.254 253 G HA3 -0.254 3.707 3.960 0.000 0.000 0.254 253 G C 0.250 175.151 174.900 0.002 0.000 0.981 253 G CA 0.276 45.384 45.100 0.014 0.000 0.670 253 G HN 0.145 nan 8.290 nan 0.000 0.528 254 V N 1.521 121.426 119.914 -0.016 0.000 2.529 254 V HA 0.166 4.286 4.120 0.000 0.000 0.292 254 V C 1.493 177.561 176.094 -0.044 0.000 1.028 254 V CA 0.156 62.439 62.300 -0.028 0.000 1.074 254 V CB 1.039 32.787 31.823 -0.124 0.000 0.958 254 V HN 0.554 nan 8.190 nan 0.000 0.481 255 R N 5.448 125.938 120.500 -0.016 0.000 2.446 255 R HA 0.180 4.520 4.340 0.000 0.000 0.314 255 R C -0.260 176.054 176.300 0.023 0.000 1.003 255 R CA -0.355 55.726 56.100 -0.031 0.000 1.018 255 R CB 0.075 30.312 30.300 -0.105 0.000 0.945 255 R HN 0.747 nan 8.270 nan 0.000 0.419 256 I N 2.245 122.806 120.570 -0.014 0.000 2.385 256 I HA 0.496 4.666 4.170 0.000 0.000 0.294 256 I C 0.514 176.648 176.117 0.029 0.000 0.988 256 I CA -0.337 60.957 61.300 -0.009 0.000 1.265 256 I CB 1.741 39.694 38.000 -0.078 0.000 1.388 256 I HN 0.596 nan 8.210 nan 0.000 0.480 257 G N 3.755 112.601 108.800 0.076 0.000 2.664 257 G HA2 0.055 4.015 3.960 0.000 0.000 0.242 257 G HA3 0.055 4.015 3.960 0.000 0.000 0.242 257 G C 0.362 175.287 174.900 0.041 0.000 1.225 257 G CA -0.224 44.944 45.100 0.114 0.000 0.849 257 G HN 0.873 nan 8.290 nan 0.000 0.581 258 E N -1.020 119.222 120.200 0.070 0.000 2.409 258 E HA -0.091 4.259 4.350 0.000 0.000 0.198 258 E C 2.543 179.157 176.600 0.022 0.000 1.024 258 E CA 1.481 57.903 56.400 0.038 0.000 0.861 258 E CB -0.007 29.726 29.700 0.055 0.000 0.788 258 E HN 0.543 nan 8.360 nan 0.000 0.521 259 T N -5.097 109.469 114.554 0.020 0.000 3.065 259 T HA 0.307 4.657 4.350 0.000 0.000 0.252 259 T C 1.566 176.198 174.700 -0.113 0.000 1.099 259 T CA 0.503 62.608 62.100 0.008 0.000 1.063 259 T CB 0.594 69.510 68.868 0.079 0.000 0.948 259 T HN 0.185 nan 8.240 nan 0.000 0.506 260 G N 0.984 109.695 108.800 -0.149 0.000 2.238 260 G HA2 0.047 4.007 3.960 0.000 0.000 0.217 260 G HA3 0.047 4.007 3.960 0.000 0.000 0.217 260 G C 0.283 174.972 174.900 -0.353 0.000 0.996 260 G CA -0.181 44.775 45.100 -0.240 0.000 0.632 260 G HN 1.096 nan 8.290 nan 0.000 0.503 261 A N 0.211 122.787 122.820 -0.406 0.000 2.256 261 A HA 0.813 5.133 4.320 0.000 0.000 0.318 261 A C 0.646 178.135 177.584 -0.158 0.000 1.103 261 A CA -0.552 51.245 52.037 -0.401 0.000 0.860 261 A CB 0.483 19.145 19.000 -0.564 0.000 1.182 261 A HN 0.784 nan 8.150 nan 0.000 0.501 262 I N 0.609 121.110 120.570 -0.114 0.000 2.752 262 I HA -0.096 4.074 4.170 0.000 0.000 0.289 262 I C 0.244 176.387 176.117 0.043 0.000 1.197 262 I CA 0.385 61.660 61.300 -0.042 0.000 1.432 262 I CB 0.301 38.259 38.000 -0.070 0.000 1.359 262 I HN 0.775 nan 8.210 nan 0.000 0.571 263 W N 7.541 128.806 121.300 -0.059 0.000 2.181 263 W HA 0.241 4.901 4.660 0.000 0.000 0.335 263 W C -0.147 176.363 176.519 -0.014 0.000 1.310 263 W CA 0.438 57.768 57.345 -0.026 0.000 1.226 263 W CB 0.751 30.193 29.460 -0.030 0.000 1.155 263 W HN 0.427 nan 8.180 nan 0.000 0.565 264 T N 4.977 118.886 114.554 -1.075 0.000 2.843 264 T HA 0.256 4.606 4.350 0.000 0.000 0.302 264 T C -0.650 173.248 174.700 -1.335 0.000 1.232 264 T CA -0.853 60.684 62.100 -0.938 0.000 1.009 264 T CB 1.333 69.975 68.868 -0.377 0.000 1.254 264 T HN 0.530 nan 8.240 nan 0.000 0.504 265 N N -0.164 118.068 118.700 -0.781 0.000 2.815 265 N HA 0.392 5.132 4.740 0.000 0.000 0.315 265 N C 0.703 176.079 175.510 -0.224 0.000 1.320 265 N CA -0.797 51.968 53.050 -0.476 0.000 0.846 265 N CB 0.299 38.643 38.487 -0.237 0.000 1.344 265 N HN 0.587 nan 8.380 nan 0.000 0.593 266 E N -0.492 119.629 120.200 -0.131 0.000 2.219 266 E HA -0.156 4.194 4.350 0.000 0.000 0.198 266 E C 0.365 176.929 176.600 -0.060 0.000 0.998 266 E CA 1.156 57.525 56.400 -0.052 0.000 0.818 266 E CB -0.109 29.553 29.700 -0.063 0.000 0.741 266 E HN 0.508 nan 8.360 nan 0.000 0.477 267 K N -0.096 120.211 120.400 -0.155 0.000 2.437 267 K HA 0.117 4.437 4.320 0.000 0.000 0.198 267 K C -0.037 176.572 176.600 0.016 0.000 1.024 267 K CA -0.052 56.194 56.287 -0.067 0.000 1.148 267 K CB 0.563 33.004 32.500 -0.099 0.000 0.860 267 K HN 0.012 nan 8.250 nan 0.000 0.515 268 M N 0.028 119.594 119.600 -0.055 0.000 2.818 268 M HA -0.221 4.259 4.480 0.000 0.000 0.204 268 M C -0.747 175.453 176.300 -0.166 0.000 0.552 268 M CA 1.154 56.423 55.300 -0.051 0.000 0.687 268 M CB -2.841 29.799 32.600 0.068 0.000 2.512 268 M HN 0.266 nan 8.290 nan 0.000 0.563 269 Q N 0.371 119.955 119.800 -0.359 0.000 2.259 269 Q HA 0.545 4.885 4.340 0.000 0.000 0.249 269 Q C 1.147 177.049 176.000 -0.163 0.000 0.914 269 Q CA 0.204 55.687 55.803 -0.534 0.000 0.904 269 Q CB 1.341 29.793 28.738 -0.476 0.000 1.213 269 Q HN 0.513 nan 8.270 nan 0.000 0.428 270 T N -2.413 112.120 114.554 -0.034 0.000 2.867 270 T HA 0.147 4.497 4.350 0.000 0.000 0.286 270 T C 1.281 176.149 174.700 0.279 0.000 1.022 270 T CA -0.124 62.092 62.100 0.193 0.000 0.933 270 T CB 0.740 69.706 68.868 0.163 0.000 1.280 270 T HN 0.615 nan 8.240 nan 0.000 0.566 271 S N -1.087 114.766 115.700 0.254 0.000 2.515 271 S HA 0.111 4.581 4.470 0.000 0.000 0.231 271 S C 0.600 175.247 174.600 0.078 0.000 0.987 271 S CA -0.304 57.952 58.200 0.093 0.000 0.936 271 S CB -0.525 62.651 63.200 -0.041 0.000 0.766 271 S HN 0.557 nan 8.310 nan 0.000 0.528 272 V N 2.431 122.416 119.914 0.118 0.000 2.427 272 V HA 0.333 4.453 4.120 0.000 0.000 0.286 272 V C 0.276 176.467 176.094 0.163 0.000 1.034 272 V CA -1.023 61.360 62.300 0.139 0.000 0.893 272 V CB 1.314 33.247 31.823 0.185 0.000 0.982 272 V HN 0.457 nan 8.190 nan 0.000 0.452 273 E N 4.983 125.276 120.200 0.154 0.000 2.529 273 E HA -0.080 4.270 4.350 0.000 0.000 0.259 273 E C 0.558 177.320 176.600 0.269 0.000 0.966 273 E CA 0.370 56.872 56.400 0.170 0.000 0.937 273 E CB 0.078 29.855 29.700 0.129 0.000 0.923 273 E HN 0.735 nan 8.360 nan 0.000 0.468 274 N N 1.466 120.361 118.700 0.324 0.000 2.753 274 N HA -0.177 4.563 4.740 0.000 0.000 0.251 274 N C -1.267 174.600 175.510 0.595 0.000 1.097 274 N CA 0.986 54.362 53.050 0.544 0.000 0.786 274 N CB -1.138 37.595 38.487 0.411 0.000 1.137 274 N HN 0.182 nan 8.380 nan 0.000 0.566 275 V N 1.345 121.499 119.914 0.400 0.000 2.384 275 V HA 0.450 4.570 4.120 0.000 0.000 0.287 275 V C 0.133 176.400 176.094 0.288 0.000 1.020 275 V CA -0.578 61.917 62.300 0.326 0.000 0.850 275 V CB 1.104 33.085 31.823 0.263 0.000 0.987 275 V HN 0.076 nan 8.190 nan 0.000 0.436 276 Y N 2.238 122.609 120.300 0.119 0.000 2.631 276 Y HA 0.868 5.418 4.550 0.000 0.000 0.328 276 Y C 0.420 176.399 175.900 0.131 0.000 1.118 276 Y CA -0.903 57.257 58.100 0.100 0.000 1.206 276 Y CB 2.093 40.580 38.460 0.045 0.000 1.337 276 Y HN 0.681 nan 8.280 nan 0.000 0.515 277 A N 0.489 123.452 122.820 0.239 0.000 2.566 277 A HA 0.872 5.192 4.320 0.000 0.000 0.297 277 A C -1.780 175.861 177.584 0.095 0.000 1.059 277 A CA -0.204 51.946 52.037 0.188 0.000 0.691 277 A CB 1.171 20.265 19.000 0.157 0.000 1.282 277 A HN 1.016 nan 8.150 nan 0.000 0.401 278 A N 0.569 123.433 122.820 0.074 0.000 2.594 278 A HA 1.056 5.376 4.320 0.000 0.000 0.295 278 A C 0.382 177.978 177.584 0.021 0.000 1.071 278 A CA 0.338 52.377 52.037 0.005 0.000 0.685 278 A CB 0.775 19.760 19.000 -0.026 0.000 1.285 278 A HN 2.986 nan 8.150 nan 0.000 0.405 279 G N 0.696 109.490 108.800 -0.009 0.000 2.512 279 G HA2 -0.055 3.905 3.960 0.000 0.000 0.210 279 G HA3 -0.055 3.905 3.960 0.000 0.000 0.210 279 G C -0.006 174.950 174.900 0.094 0.000 1.295 279 G CA 0.356 45.468 45.100 0.021 0.000 0.934 279 G HN 0.860 nan 8.290 nan 0.000 0.554 280 D N 0.293 120.766 120.400 0.121 0.000 2.384 280 D HA -0.049 4.591 4.640 0.000 0.000 0.222 280 D C 2.536 179.091 176.300 0.425 0.000 0.976 280 D CA 1.653 55.807 54.000 0.257 0.000 0.915 280 D CB -0.157 40.757 40.800 0.190 0.000 0.896 280 D HN 0.722 nan 8.370 nan 0.000 0.523 281 V N -1.551 118.503 119.914 0.233 0.000 2.992 281 V HA 0.258 4.378 4.120 0.000 0.000 0.250 281 V C 1.224 177.369 176.094 0.085 0.000 1.090 281 V CA 0.144 62.521 62.300 0.129 0.000 1.101 281 V CB -0.716 31.158 31.823 0.084 0.000 0.743 281 V HN 0.077 nan 8.190 nan 0.000 0.468 282 A N 1.409 124.309 122.820 0.133 0.000 2.363 282 A HA 0.468 4.788 4.320 0.000 0.000 0.270 282 A C 0.182 177.862 177.584 0.161 0.000 1.121 282 A CA -0.264 51.826 52.037 0.087 0.000 0.800 282 A CB 0.201 19.225 19.000 0.040 0.000 1.052 282 A HN 0.586 nan 8.150 nan 0.000 0.493 283 E N 2.289 122.535 120.200 0.077 0.000 2.146 283 E HA 0.394 4.744 4.350 0.000 0.000 0.282 283 E C -0.089 176.537 176.600 0.042 0.000 0.989 283 E CA -0.320 56.152 56.400 0.119 0.000 0.799 283 E CB 0.914 30.645 29.700 0.052 0.000 1.088 283 E HN 0.616 nan 8.360 nan 0.000 0.397 284 T N 2.840 117.461 114.554 0.111 0.000 2.893 284 T HA 0.567 4.918 4.350 0.000 0.000 0.281 284 T C -0.543 174.207 174.700 0.083 0.000 1.027 284 T CA -0.694 61.469 62.100 0.105 0.000 0.953 284 T CB 0.661 69.670 68.868 0.235 0.000 1.434 284 T HN 0.649 nan 8.240 nan 0.000 0.597 285 R N 0.406 120.952 120.500 0.077 0.000 2.740 285 R HA 0.507 4.847 4.340 0.000 0.000 0.282 285 R C -0.638 175.698 176.300 0.060 0.000 0.969 285 R CA -0.926 55.215 56.100 0.069 0.000 0.918 285 R CB 0.566 30.889 30.300 0.038 0.000 1.175 285 R HN 0.574 nan 8.270 nan 0.000 0.464 286 H N 2.601 121.682 119.070 0.018 0.000 2.742 286 H HA 0.107 4.663 4.556 0.000 0.000 0.302 286 H C 0.834 176.156 175.328 -0.010 0.000 1.069 286 H CA 0.035 56.086 56.048 0.005 0.000 1.446 286 H CB 1.459 31.236 29.762 0.025 0.000 1.462 286 H HN 0.546 nan 8.280 nan 0.000 0.499 287 V N 6.328 126.182 119.914 -0.099 0.000 2.392 287 V HA -0.280 3.840 4.120 0.000 0.000 0.249 287 V C 2.388 178.545 176.094 0.104 0.000 1.059 287 V CA 1.851 64.128 62.300 -0.038 0.000 1.051 287 V CB -0.360 31.377 31.823 -0.144 0.000 0.658 287 V HN 0.729 nan 8.190 nan 0.000 0.455 288 I N -1.006 119.734 120.570 0.282 0.000 2.400 288 I HA -0.133 4.037 4.170 0.000 0.000 0.248 288 I C 2.398 178.654 176.117 0.231 0.000 1.109 288 I CA 1.470 62.919 61.300 0.249 0.000 1.425 288 I CB -0.285 37.866 38.000 0.252 0.000 1.094 288 I HN 0.274 nan 8.210 nan 0.000 0.425 289 T N -0.641 114.060 114.554 0.245 0.000 2.901 289 T HA 0.122 4.472 4.350 0.000 0.000 0.252 289 T C 1.496 176.263 174.700 0.112 0.000 1.035 289 T CA 1.228 63.398 62.100 0.117 0.000 1.142 289 T CB 0.203 69.038 68.868 -0.055 0.000 0.869 289 T HN 0.582 nan 8.240 nan 0.000 0.442 290 G N 1.412 110.294 108.800 0.137 0.000 2.213 290 G HA2 -0.227 3.733 3.960 0.000 0.000 0.236 290 G HA3 -0.227 3.733 3.960 0.000 0.000 0.236 290 G C 0.331 175.288 174.900 0.094 0.000 0.991 290 G CA 0.086 45.246 45.100 0.100 0.000 0.629 290 G HN 0.529 nan 8.290 nan 0.000 0.517 291 R N 0.556 121.112 120.500 0.093 0.000 2.615 291 R HA 0.463 4.803 4.340 0.000 0.000 0.270 291 R C 0.281 176.647 176.300 0.111 0.000 1.081 291 R CA -0.675 55.476 56.100 0.085 0.000 1.154 291 R CB 0.283 30.616 30.300 0.055 0.000 1.063 291 R HN 0.088 nan 8.270 nan 0.000 0.519 292 R N 1.834 122.400 120.500 0.109 0.000 2.340 292 R HA 0.202 4.542 4.340 0.000 0.000 0.300 292 R C -0.282 176.097 176.300 0.133 0.000 1.069 292 R CA -0.232 55.937 56.100 0.115 0.000 0.984 292 R CB 0.914 31.289 30.300 0.125 0.000 1.003 292 R HN 0.472 nan 8.270 nan 0.000 0.459 293 V N -0.674 119.334 119.914 0.156 0.000 3.160 293 V HA 0.622 4.742 4.120 0.000 0.000 0.310 293 V C -1.478 174.775 176.094 0.264 0.000 1.181 293 V CA -1.260 61.156 62.300 0.194 0.000 1.047 293 V CB 2.714 34.658 31.823 0.201 0.000 1.068 293 V HN 0.804 nan 8.190 nan 0.000 0.441 294 W N 2.065 123.395 121.300 0.050 0.000 2.393 294 W HA 0.791 5.451 4.660 0.000 0.000 0.315 294 W C -1.263 175.277 176.519 0.035 0.000 1.009 294 W CA -1.387 55.979 57.345 0.036 0.000 1.313 294 W CB 1.534 31.012 29.460 0.030 0.000 1.269 294 W HN 0.486 nan 8.180 nan 0.000 0.420 295 V N 8.905 128.713 119.914 -0.175 0.000 2.271 295 V HA 0.220 4.340 4.120 0.000 0.000 0.259 295 V C -1.729 174.136 176.094 -0.382 0.000 1.030 295 V CA -1.436 60.697 62.300 -0.278 0.000 0.957 295 V CB 0.581 32.340 31.823 -0.106 0.000 1.186 295 V HN 0.376 nan 8.190 nan 0.000 0.471 296 P HA 0.226 nan 4.420 nan 0.000 0.262 296 P C -0.795 176.324 177.300 -0.302 0.000 1.455 296 P CA 0.190 62.999 63.100 -0.486 0.000 1.217 296 P CB 0.712 31.992 31.700 -0.700 0.000 1.625 297 L N 1.896 122.998 121.223 -0.202 0.000 2.354 297 L HA 0.528 4.868 4.340 0.000 0.000 0.264 297 L C 1.597 178.404 176.870 -0.105 0.000 1.008 297 L CA -0.635 54.108 54.840 -0.161 0.000 0.819 297 L CB 1.404 43.367 42.059 -0.161 0.000 1.339 297 L HN 0.098 nan 8.230 nan 0.000 0.420 298 A N 2.470 125.236 122.820 -0.091 0.000 1.883 298 A HA -0.018 4.302 4.320 0.000 0.000 0.217 298 A C -0.808 176.745 177.584 -0.053 0.000 1.186 298 A CA 1.913 53.911 52.037 -0.065 0.000 0.624 298 A CB -1.610 17.355 19.000 -0.058 0.000 0.822 298 A HN 0.747 nan 8.150 nan 0.000 0.444 299 P HA -0.084 nan 4.420 nan 0.000 0.214 299 P C 1.817 179.103 177.300 -0.022 0.000 1.162 299 P CA 1.893 64.972 63.100 -0.035 0.000 0.879 299 P CB -0.168 31.513 31.700 -0.032 0.000 0.786 300 A N -0.032 122.784 122.820 -0.007 0.000 1.908 300 A HA -0.138 4.182 4.320 0.000 0.000 0.218 300 A C 2.509 180.030 177.584 -0.106 0.000 1.181 300 A CA 2.263 54.315 52.037 0.026 0.000 0.627 300 A CB -1.977 17.066 19.000 0.072 0.000 0.818 300 A HN 0.277 nan 8.150 nan 0.000 0.445 301 G N -0.125 108.622 108.800 -0.088 0.000 2.446 301 G HA2 -0.314 3.646 3.960 0.000 0.000 0.217 301 G HA3 -0.314 3.646 3.960 0.000 0.000 0.217 301 G C 1.488 176.335 174.900 -0.088 0.000 1.168 301 G CA 1.030 46.073 45.100 -0.094 0.000 0.771 301 G HN 0.560 nan 8.290 nan 0.000 0.551 302 N N 0.667 119.331 118.700 -0.059 0.000 2.149 302 N HA -0.078 4.662 4.740 0.000 0.000 0.188 302 N C 2.193 177.687 175.510 -0.027 0.000 1.019 302 N CA 1.112 54.142 53.050 -0.034 0.000 0.857 302 N CB -0.164 38.305 38.487 -0.029 0.000 0.997 302 N HN 0.411 nan 8.380 nan 0.000 0.426 303 K N 0.372 120.731 120.400 -0.068 0.000 2.116 303 K HA 0.082 4.402 4.320 0.000 0.000 0.203 303 K C 2.188 178.696 176.600 -0.154 0.000 1.052 303 K CA 0.697 56.950 56.287 -0.057 0.000 0.952 303 K CB -0.026 32.482 32.500 0.013 0.000 0.729 303 K HN 0.129 nan 8.250 nan 0.000 0.446 304 M N 0.261 119.631 119.600 -0.383 0.000 2.086 304 M HA -0.118 4.363 4.480 0.000 0.000 0.261 304 M C 2.409 178.614 176.300 -0.158 0.000 1.067 304 M CA 1.904 56.928 55.300 -0.458 0.000 1.116 304 M CB -0.707 31.629 32.600 -0.440 0.000 1.348 304 M HN 0.343 nan 8.290 nan 0.000 0.407 305 G N -0.931 107.818 108.800 -0.086 0.000 2.442 305 G HA2 -0.278 3.682 3.960 0.000 0.000 0.219 305 G HA3 -0.278 3.682 3.960 0.000 0.000 0.219 305 G C 1.381 176.280 174.900 -0.001 0.000 1.141 305 G CA 0.760 45.841 45.100 -0.032 0.000 0.763 305 G HN 0.471 nan 8.290 nan 0.000 0.554 306 Y N 1.454 121.701 120.300 -0.089 0.000 2.181 306 Y HA -0.165 4.385 4.550 0.000 0.000 0.288 306 Y C 2.836 178.702 175.900 -0.057 0.000 1.146 306 Y CA 2.117 60.177 58.100 -0.068 0.000 1.164 306 Y CB -0.132 38.300 38.460 -0.047 0.000 0.982 306 Y HN 0.128 nan 8.280 nan 0.000 0.515 307 V N -1.223 118.766 119.914 0.125 0.000 2.719 307 V HA 0.021 4.141 4.120 0.000 0.000 0.252 307 V C 2.171 178.263 176.094 -0.002 0.000 1.065 307 V CA 1.345 63.690 62.300 0.074 0.000 1.086 307 V CB -1.278 30.643 31.823 0.163 0.000 0.700 307 V HN 0.396 nan 8.190 nan 0.000 0.467 308 A N 1.553 124.365 122.820 -0.013 0.000 1.877 308 A HA 0.059 4.379 4.320 0.000 0.000 0.216 308 A C 2.390 179.806 177.584 -0.279 0.000 1.186 308 A CA 2.088 54.112 52.037 -0.021 0.000 0.620 308 A CB -1.592 17.412 19.000 0.005 0.000 0.822 308 A HN 0.704 nan 8.150 nan 0.000 0.443 309 G N -0.611 108.032 108.800 -0.261 0.000 2.480 309 G HA2 -0.195 3.765 3.960 0.000 0.000 0.216 309 G HA3 -0.195 3.765 3.960 0.000 0.000 0.216 309 G C 1.824 176.515 174.900 -0.348 0.000 1.200 309 G CA 1.381 46.286 45.100 -0.326 0.000 0.782 309 G HN 0.474 nan 8.290 nan 0.000 0.554 310 S N 0.945 116.438 115.700 -0.346 0.000 2.389 310 S HA -0.200 4.270 4.470 0.000 0.000 0.231 310 S C 2.241 176.725 174.600 -0.194 0.000 1.052 310 S CA 1.416 59.441 58.200 -0.292 0.000 1.053 310 S CB -0.336 62.708 63.200 -0.260 0.000 0.886 310 S HN 0.448 nan 8.310 nan 0.000 0.456 311 N N 0.870 119.486 118.700 -0.140 0.000 2.216 311 N HA 0.093 4.833 4.740 0.000 0.000 0.183 311 N C 1.722 177.139 175.510 -0.155 0.000 1.017 311 N CA 0.849 53.872 53.050 -0.044 0.000 0.861 311 N CB -0.252 38.331 38.487 0.161 0.000 0.986 311 N HN 0.386 nan 8.380 nan 0.000 0.428 312 I N 1.396 121.713 120.570 -0.420 0.000 2.286 312 I HA -0.199 3.971 4.170 0.000 0.000 0.248 312 I C 2.115 178.005 176.117 -0.378 0.000 1.115 312 I CA 0.774 61.716 61.300 -0.598 0.000 1.392 312 I CB -0.212 37.344 38.000 -0.740 0.000 1.065 312 I HN 0.036 nan 8.210 nan 0.000 0.418 313 A N 0.206 122.802 122.820 -0.374 0.000 2.239 313 A HA 0.173 4.493 4.320 0.000 0.000 0.209 313 A C 1.848 179.291 177.584 -0.235 0.000 1.171 313 A CA 1.017 52.773 52.037 -0.468 0.000 0.768 313 A CB -0.710 17.987 19.000 -0.505 0.000 0.790 313 A HN 0.628 nan 8.150 nan 0.000 0.478 314 G N -1.325 107.414 108.800 -0.102 0.000 2.159 314 G HA2 -0.183 3.777 3.960 0.000 0.000 0.227 314 G HA3 -0.183 3.777 3.960 0.000 0.000 0.227 314 G C 0.022 174.912 174.900 -0.016 0.000 0.986 314 G CA 0.172 45.267 45.100 -0.009 0.000 0.651 314 G HN 0.410 nan 8.290 nan 0.000 0.523 315 K N 1.202 121.571 120.400 -0.051 0.000 2.334 315 K HA 0.270 4.590 4.320 0.000 0.000 0.265 315 K C -0.048 176.565 176.600 0.022 0.000 1.039 315 K CA -0.574 55.698 56.287 -0.026 0.000 0.920 315 K CB 1.313 33.771 32.500 -0.070 0.000 1.160 315 K HN 0.318 nan 8.250 nan 0.000 0.451 316 E N 2.958 123.199 120.200 0.068 0.000 2.415 316 E HA 0.016 4.366 4.350 0.000 0.000 0.260 316 E C -0.854 175.854 176.600 0.180 0.000 1.016 316 E CA 0.114 56.595 56.400 0.134 0.000 0.924 316 E CB 0.504 30.301 29.700 0.162 0.000 0.961 316 E HN 0.214 nan 8.360 nan 0.000 0.459 317 L N 4.837 126.201 121.223 0.236 0.000 2.445 317 L HA 0.310 4.650 4.340 0.000 0.000 0.262 317 L C -1.401 175.694 176.870 0.375 0.000 0.974 317 L CA -0.505 54.502 54.840 0.278 0.000 0.822 317 L CB 1.983 44.151 42.059 0.181 0.000 1.339 317 L HN 0.524 nan 8.230 nan 0.000 0.409 318 H N 3.982 123.117 119.070 0.109 0.000 2.489 318 H HA 0.354 4.910 4.556 0.000 0.000 0.343 318 H C -1.455 173.971 175.328 0.163 0.000 1.086 318 H CA -0.701 55.418 56.048 0.118 0.000 1.198 318 H CB 2.092 31.897 29.762 0.071 0.000 1.490 318 H HN 0.527 nan 8.280 nan 0.000 0.504 319 F N 6.317 126.335 119.950 0.114 0.000 2.411 319 F HA 0.212 4.739 4.527 0.000 0.000 0.355 319 F C -1.547 174.281 175.800 0.047 0.000 1.117 319 F CA -2.682 55.354 58.000 0.060 0.000 1.139 319 F CB 1.151 40.166 39.000 0.026 0.000 1.120 319 F HN 0.389 nan 8.300 nan 0.000 0.493 320 P HA 0.184 nan 4.420 nan 0.000 0.233 320 P C 0.357 177.382 177.300 -0.459 0.000 1.167 320 P CA 1.218 64.121 63.100 -0.328 0.000 0.770 320 P CB 0.099 31.645 31.700 -0.257 0.000 0.837 321 G N -0.597 107.610 108.800 -0.989 0.000 2.483 321 G HA2 0.076 4.036 3.960 0.000 0.000 0.521 321 G HA3 0.076 4.036 3.960 0.000 0.000 0.521 321 G C -0.772 173.771 174.900 -0.595 0.000 1.278 321 G CA -0.420 44.316 45.100 -0.606 0.000 0.965 321 G HN 0.333 nan 8.290 nan 0.000 0.504 322 V N -2.790 116.960 119.914 -0.272 0.000 3.158 322 V HA 0.880 5.001 4.120 0.000 0.000 0.315 322 V C 0.895 176.745 176.094 -0.406 0.000 1.148 322 V CA -0.567 61.589 62.300 -0.239 0.000 1.042 322 V CB 1.694 33.473 31.823 -0.073 0.000 1.101 322 V HN 1.214 nan 8.190 nan 0.000 0.448 323 L N 1.258 122.269 121.223 -0.354 0.000 2.575 323 L HA 0.612 4.952 4.340 0.000 0.000 0.228 323 L C 1.699 178.379 176.870 -0.317 0.000 1.075 323 L CA 1.643 56.227 54.840 -0.426 0.000 0.867 323 L CB 0.055 41.989 42.059 -0.208 0.000 1.097 323 L HN 1.389 nan 8.230 nan 0.000 0.485 324 G N -0.192 108.490 108.800 -0.195 0.000 2.130 324 G HA2 -0.244 3.716 3.960 0.000 0.000 0.216 324 G HA3 -0.244 3.716 3.960 0.000 0.000 0.216 324 G C 0.360 175.213 174.900 -0.078 0.000 0.999 324 G CA 0.283 45.329 45.100 -0.090 0.000 0.686 324 G HN 0.252 nan 8.290 nan 0.000 0.515 325 T N 1.024 115.528 114.554 -0.082 0.000 2.829 325 T HA 0.519 4.869 4.350 0.000 0.000 0.293 325 T C 0.548 175.214 174.700 -0.057 0.000 0.970 325 T CA 1.059 63.127 62.100 -0.053 0.000 1.168 325 T CB 1.402 70.238 68.868 -0.052 0.000 0.911 325 T HN 1.621 nan 8.240 nan 0.000 0.535 326 A N 3.118 125.931 122.820 -0.012 0.000 2.475 326 A HA 0.843 5.163 4.320 0.000 0.000 0.301 326 A C -0.902 176.755 177.584 0.121 0.000 1.059 326 A CA -0.773 51.258 52.037 -0.009 0.000 0.710 326 A CB 2.064 21.052 19.000 -0.020 0.000 1.288 326 A HN 0.744 nan 8.150 nan 0.000 0.408 327 V N 0.816 120.778 119.914 0.079 0.000 2.888 327 V HA 0.917 5.037 4.120 0.000 0.000 0.309 327 V C -0.503 175.666 176.094 0.124 0.000 1.114 327 V CA 0.705 63.082 62.300 0.127 0.000 0.940 327 V CB 2.155 34.016 31.823 0.064 0.000 1.021 327 V HN 1.651 nan 8.190 nan 0.000 0.426 328 T N 4.514 119.158 114.554 0.151 0.000 2.677 328 T HA 0.619 4.969 4.350 0.000 0.000 0.305 328 T C -2.040 172.713 174.700 0.088 0.000 1.569 328 T CA -0.082 62.101 62.100 0.138 0.000 0.984 328 T CB 1.760 70.789 68.868 0.268 0.000 1.629 328 T HN 1.203 nan 8.240 nan 0.000 0.494 329 K N 0.747 121.195 120.400 0.079 0.000 2.587 329 K HA 0.619 4.939 4.320 0.000 0.000 0.276 329 K C -2.165 174.486 176.600 0.085 0.000 0.956 329 K CA -0.999 55.325 56.287 0.062 0.000 0.857 329 K CB 1.393 33.906 32.500 0.022 0.000 1.431 329 K HN 0.460 nan 8.250 nan 0.000 0.420 330 F N 5.479 125.403 119.950 -0.044 0.000 2.382 330 F HA 0.398 4.925 4.527 0.000 0.000 0.361 330 F C 0.738 176.490 175.800 -0.079 0.000 1.109 330 F CA -0.231 57.733 58.000 -0.060 0.000 1.031 330 F CB 0.686 39.645 39.000 -0.068 0.000 1.234 330 F HN 0.915 nan 8.300 nan 0.000 0.445 331 M N 1.795 121.035 119.600 -0.601 0.000 7.319 331 M HA -0.376 4.104 4.480 0.000 0.000 0.292 331 M C 0.814 177.003 176.300 -0.186 0.000 0.480 331 M CA 2.280 57.311 55.300 -0.448 0.000 1.311 331 M CB -1.084 31.163 32.600 -0.589 0.000 0.421 331 M HN 0.664 nan 8.290 nan 0.000 0.545 332 D N 1.018 121.353 120.400 -0.109 0.000 2.363 332 D HA 0.250 4.890 4.640 0.000 0.000 0.214 332 D C 0.215 176.531 176.300 0.026 0.000 1.093 332 D CA 0.357 54.337 54.000 -0.032 0.000 0.837 332 D CB 0.080 40.870 40.800 -0.018 0.000 0.948 332 D HN 0.285 nan 8.370 nan 0.000 0.507 333 V N 1.185 121.131 119.914 0.054 0.000 2.294 333 V HA 0.275 4.395 4.120 0.000 0.000 0.272 333 V C -0.573 175.565 176.094 0.074 0.000 1.027 333 V CA -0.640 61.715 62.300 0.091 0.000 0.823 333 V CB 0.587 32.481 31.823 0.117 0.000 1.030 333 V HN -0.002 nan 8.190 nan 0.000 0.457 334 E N 6.219 126.458 120.200 0.064 0.000 2.343 334 E HA 0.520 4.870 4.350 0.000 0.000 0.269 334 E C -0.441 176.182 176.600 0.039 0.000 1.047 334 E CA -0.361 56.069 56.400 0.050 0.000 0.874 334 E CB 2.496 32.226 29.700 0.050 0.000 1.033 334 E HN 0.722 nan 8.360 nan 0.000 0.409 335 I N 0.924 121.498 120.570 0.006 0.000 2.571 335 I HA 0.595 4.765 4.170 0.000 0.000 0.289 335 I C -0.816 175.312 176.117 0.018 0.000 1.115 335 I CA -0.236 61.020 61.300 -0.074 0.000 1.045 335 I CB 1.382 39.200 38.000 -0.304 0.000 1.238 335 I HN 0.642 nan 8.210 nan 0.000 0.424 336 G N 6.050 114.932 108.800 0.136 0.000 2.708 336 G HA2 0.713 4.674 3.960 0.000 0.000 0.289 336 G HA3 0.713 4.674 3.960 0.000 0.000 0.289 336 G C -1.979 173.190 174.900 0.449 0.000 1.416 336 G CA -0.739 44.552 45.100 0.318 0.000 0.829 336 G HN 0.784 nan 8.290 nan 0.000 0.480 337 K N -1.904 118.705 120.400 0.348 0.000 2.571 337 K HA 0.819 5.139 4.320 0.000 0.000 0.289 337 K C -1.645 175.004 176.600 0.082 0.000 1.028 337 K CA -0.906 55.507 56.287 0.209 0.000 0.895 337 K CB 2.076 34.637 32.500 0.101 0.000 1.534 337 K HN 0.800 nan 8.250 nan 0.000 0.421 338 T N -0.627 113.951 114.554 0.041 0.000 3.225 338 T HA 0.560 4.910 4.350 0.000 0.000 0.356 338 T C -0.359 174.347 174.700 0.011 0.000 1.460 338 T CA 0.718 62.822 62.100 0.007 0.000 1.126 338 T CB 0.793 69.660 68.868 -0.001 0.000 1.321 338 T HN 1.605 nan 8.240 nan 0.000 0.478 339 G N 2.750 111.561 108.800 0.019 0.000 2.725 339 G HA2 -0.107 3.853 3.960 0.000 0.000 0.220 339 G HA3 -0.107 3.853 3.960 0.000 0.000 0.220 339 G C -0.677 174.268 174.900 0.075 0.000 1.357 339 G CA -0.423 44.723 45.100 0.076 0.000 0.866 339 G HN 1.011 nan 8.290 nan 0.000 0.548 340 L N -0.028 121.217 121.223 0.035 0.000 2.467 340 L HA 0.500 4.840 4.340 0.000 0.000 0.270 340 L C 1.418 178.261 176.870 -0.045 0.000 1.205 340 L CA 0.087 54.904 54.840 -0.038 0.000 0.828 340 L CB 0.763 42.754 42.059 -0.112 0.000 1.101 340 L HN 0.746 nan 8.230 nan 0.000 0.479 341 T N -0.400 114.121 114.554 -0.055 0.000 2.943 341 T HA 0.070 4.420 4.350 0.000 0.000 0.284 341 T C 0.939 175.614 174.700 -0.041 0.000 1.015 341 T CA -0.477 61.594 62.100 -0.048 0.000 1.042 341 T CB 1.440 70.266 68.868 -0.070 0.000 1.055 341 T HN 0.787 nan 8.240 nan 0.000 0.500 342 E N 2.329 122.510 120.200 -0.032 0.000 2.130 342 E HA -0.175 4.175 4.350 0.000 0.000 0.196 342 E C 1.826 178.415 176.600 -0.017 0.000 0.998 342 E CA 1.596 57.981 56.400 -0.026 0.000 0.806 342 E CB -0.063 29.621 29.700 -0.027 0.000 0.738 342 E HN 0.713 nan 8.360 nan 0.000 0.459 343 M N 0.147 119.734 119.600 -0.021 0.000 2.067 343 M HA -0.173 4.307 4.480 0.000 0.000 0.260 343 M C 2.260 178.556 176.300 -0.006 0.000 1.069 343 M CA 1.808 57.099 55.300 -0.014 0.000 1.117 343 M CB -0.417 32.171 32.600 -0.020 0.000 1.334 343 M HN 0.062 nan 8.290 nan 0.000 0.407 344 E N 0.757 120.947 120.200 -0.017 0.000 2.058 344 E HA -0.193 4.157 4.350 0.000 0.000 0.194 344 E C 2.171 178.785 176.600 0.023 0.000 0.997 344 E CA 1.458 57.850 56.400 -0.014 0.000 0.801 344 E CB -0.265 29.408 29.700 -0.046 0.000 0.746 344 E HN 0.519 nan 8.360 nan 0.000 0.450 345 A N 1.066 123.894 122.820 0.014 0.000 1.892 345 A HA -0.212 4.108 4.320 0.000 0.000 0.218 345 A C 2.218 179.902 177.584 0.165 0.000 1.188 345 A CA 1.408 53.492 52.037 0.077 0.000 0.631 345 A CB -0.812 18.157 19.000 -0.053 0.000 0.822 345 A HN 0.159 nan 8.150 nan 0.000 0.447 346 L N -0.985 120.286 121.223 0.080 0.000 2.083 346 L HA -0.182 4.158 4.340 0.000 0.000 0.209 346 L C 2.551 179.453 176.870 0.053 0.000 1.083 346 L CA 1.734 56.614 54.840 0.067 0.000 0.752 346 L CB -0.351 41.727 42.059 0.032 0.000 0.899 346 L HN 0.345 nan 8.230 nan 0.000 0.433 347 K N 0.326 120.752 120.400 0.042 0.000 2.147 347 K HA -0.161 4.159 4.320 0.000 0.000 0.205 347 K C 1.728 178.342 176.600 0.023 0.000 1.049 347 K CA 1.265 57.566 56.287 0.024 0.000 0.936 347 K CB 0.021 32.530 32.500 0.015 0.000 0.722 347 K HN 0.129 nan 8.250 nan 0.000 0.446 348 E N -0.782 119.452 120.200 0.057 0.000 2.476 348 E HA 0.107 4.457 4.350 0.000 0.000 0.191 348 E C 0.709 177.250 176.600 -0.097 0.000 1.064 348 E CA 0.634 57.040 56.400 0.010 0.000 0.866 348 E CB 0.333 30.095 29.700 0.103 0.000 0.952 348 E HN 0.507 nan 8.360 nan 0.000 0.492 349 G N 1.007 109.786 108.800 -0.035 0.000 2.159 349 G HA2 -0.315 3.645 3.960 0.000 0.000 0.256 349 G HA3 -0.315 3.645 3.960 0.000 0.000 0.256 349 G C 0.031 174.890 174.900 -0.069 0.000 0.977 349 G CA 0.108 45.166 45.100 -0.070 0.000 0.652 349 G HN 0.251 nan 8.290 nan 0.000 0.531 350 Y N 1.005 121.299 120.300 -0.009 0.000 2.480 350 Y HA 0.391 4.941 4.550 0.000 0.000 0.338 350 Y C 0.867 176.766 175.900 -0.003 0.000 1.220 350 Y CA 0.108 58.205 58.100 -0.005 0.000 1.430 350 Y CB 0.653 39.109 38.460 -0.006 0.000 1.311 350 Y HN 0.118 nan 8.280 nan 0.000 0.575 351 D N 2.993 123.505 120.400 0.187 0.000 2.380 351 D HA 0.306 4.946 4.640 0.000 0.000 0.230 351 D C -1.093 175.267 176.300 0.101 0.000 1.154 351 D CA -0.145 53.917 54.000 0.103 0.000 0.859 351 D CB 0.249 41.094 40.800 0.076 0.000 1.045 351 D HN 0.333 nan 8.370 nan 0.000 0.495 352 V N 1.913 121.869 119.914 0.070 0.000 2.815 352 V HA 0.810 4.930 4.120 0.000 0.000 0.314 352 V C -0.584 175.524 176.094 0.022 0.000 1.064 352 V CA -1.119 61.204 62.300 0.038 0.000 0.952 352 V CB 1.909 33.745 31.823 0.022 0.000 1.020 352 V HN 0.562 nan 8.190 nan 0.000 0.439 353 R N 1.226 121.734 120.500 0.012 0.000 2.628 353 R HA 0.851 5.191 4.340 0.000 0.000 0.288 353 R C -0.468 175.839 176.300 0.011 0.000 0.980 353 R CA -0.042 56.065 56.100 0.012 0.000 0.891 353 R CB 2.011 32.317 30.300 0.010 0.000 1.188 353 R HN 0.978 nan 8.270 nan 0.000 0.450 354 T N -0.707 113.858 114.554 0.019 0.000 2.883 354 T HA 0.922 5.272 4.350 0.000 0.000 0.284 354 T C -0.435 174.296 174.700 0.052 0.000 1.041 354 T CA -0.702 61.417 62.100 0.032 0.000 1.007 354 T CB 1.986 70.870 68.868 0.027 0.000 1.220 354 T HN 0.937 nan 8.240 nan 0.000 0.552 355 A N 0.441 123.313 122.820 0.088 0.000 2.577 355 A HA 0.667 4.987 4.320 0.000 0.000 0.297 355 A C -1.949 175.772 177.584 0.229 0.000 1.060 355 A CA -0.750 51.358 52.037 0.118 0.000 0.697 355 A CB 1.343 20.386 19.000 0.072 0.000 1.281 355 A HN 0.888 nan 8.150 nan 0.000 0.402 356 F N 2.896 122.874 119.950 0.048 0.000 2.536 356 F HA 0.764 5.291 4.527 0.000 0.000 0.322 356 F C -0.576 175.284 175.800 0.100 0.000 1.144 356 F CA -1.449 56.600 58.000 0.082 0.000 0.924 356 F CB 1.436 40.484 39.000 0.079 0.000 1.181 356 F HN 0.700 nan 8.300 nan 0.000 0.438 357 I N 2.384 122.829 120.570 -0.208 0.000 2.892 357 I HA 0.624 4.794 4.170 0.000 0.000 0.306 357 I C -1.530 174.380 176.117 -0.345 0.000 1.078 357 I CA -0.994 60.173 61.300 -0.222 0.000 1.032 357 I CB 2.343 40.278 38.000 -0.108 0.000 1.229 357 I HN 0.545 nan 8.210 nan 0.000 0.435 358 K N 2.853 123.071 120.400 -0.303 0.000 2.259 358 K HA 0.899 5.219 4.320 0.000 0.000 0.252 358 K C -1.259 175.115 176.600 -0.378 0.000 0.936 358 K CA -0.604 55.371 56.287 -0.520 0.000 0.810 358 K CB 2.059 34.285 32.500 -0.456 0.000 1.143 358 K HN 0.999 nan 8.250 nan 0.000 0.427 359 A N 1.272 123.830 122.820 -0.437 0.000 2.568 359 A HA 0.537 4.857 4.320 0.000 0.000 0.291 359 A C -1.473 175.959 177.584 -0.254 0.000 1.159 359 A CA -0.672 51.211 52.037 -0.258 0.000 0.679 359 A CB 1.545 20.445 19.000 -0.167 0.000 1.285 359 A HN 0.552 nan 8.150 nan 0.000 0.428 360 S N -1.256 114.358 115.700 -0.143 0.000 2.549 360 S HA 0.521 4.991 4.470 0.000 0.000 0.297 360 S C 0.712 175.261 174.600 -0.085 0.000 1.115 360 S CA 0.446 58.579 58.200 -0.110 0.000 1.059 360 S CB 1.549 64.722 63.200 -0.046 0.000 1.046 360 S HN 0.856 nan 8.310 nan 0.000 0.506 361 T N 2.364 116.875 114.554 -0.071 0.000 3.113 361 T HA 0.289 4.639 4.350 0.000 0.000 0.256 361 T C 0.326 174.998 174.700 -0.048 0.000 1.131 361 T CA 0.838 62.910 62.100 -0.048 0.000 1.074 361 T CB -0.197 68.649 68.868 -0.036 0.000 0.944 361 T HN 0.468 nan 8.240 nan 0.000 0.516 362 R N 0.122 120.587 120.500 -0.059 0.000 2.831 362 R HA 0.530 4.870 4.340 0.000 0.000 0.266 362 R C -2.959 173.262 176.300 -0.132 0.000 1.051 362 R CA -2.147 53.892 56.100 -0.101 0.000 0.943 362 R CB 0.662 30.938 30.300 -0.039 0.000 1.228 362 R HN -0.111 nan 8.270 nan 0.000 0.467 363 P HA 0.104 nan 4.420 nan 0.000 0.271 363 P C -0.804 176.330 177.300 -0.278 0.000 1.218 363 P CA -0.100 62.764 63.100 -0.393 0.000 0.780 363 P CB 0.318 31.544 31.700 -0.791 0.000 0.901 364 H N 1.791 120.785 119.070 -0.126 0.000 2.966 364 H HA 0.191 4.747 4.556 0.000 0.000 0.217 364 H C -0.029 175.357 175.328 0.097 0.000 1.906 364 H CA -0.380 55.656 56.048 -0.020 0.000 1.351 364 H CB -1.213 28.551 29.762 0.004 0.000 1.722 364 H HN 0.518 nan 8.280 nan 0.000 0.562 365 Y N -2.217 118.228 120.300 0.242 0.000 2.510 365 Y HA 0.225 4.775 4.550 0.000 0.000 0.285 365 Y C -0.473 175.508 175.900 0.136 0.000 1.089 365 Y CA -1.427 56.776 58.100 0.172 0.000 1.007 365 Y CB -0.585 37.975 38.460 0.166 0.000 1.372 365 Y HN 0.150 nan 8.280 nan 0.000 0.563 366 Y N 6.960 127.231 120.300 -0.048 0.000 2.497 366 Y HA 0.467 5.017 4.550 0.000 0.000 0.334 366 Y C -2.152 173.756 175.900 0.012 0.000 1.199 366 Y CA -2.292 55.808 58.100 -0.000 0.000 1.425 366 Y CB 0.664 38.985 38.460 -0.232 0.000 1.291 366 Y HN 0.044 nan 8.280 nan 0.000 0.562 367 P HA 0.256 nan 4.420 nan 0.000 0.280 367 P C 0.170 177.465 177.300 -0.007 0.000 1.244 367 P CA 0.598 63.611 63.100 -0.146 0.000 0.784 367 P CB 1.425 32.983 31.700 -0.237 0.000 0.913 368 G N 1.895 110.714 108.800 0.031 0.000 2.218 368 G HA2 -0.148 3.813 3.960 0.000 0.000 0.216 368 G HA3 -0.148 3.813 3.960 0.000 0.000 0.216 368 G C 0.526 175.459 174.900 0.054 0.000 0.994 368 G CA -0.227 44.904 45.100 0.051 0.000 0.637 368 G HN 0.870 nan 8.290 nan 0.000 0.505 369 G N 1.121 109.960 108.800 0.066 0.000 2.254 369 G HA2 0.450 4.410 3.960 0.000 0.000 0.253 369 G HA3 0.450 4.410 3.960 0.000 0.000 0.253 369 G C 0.334 175.235 174.900 0.001 0.000 1.246 369 G CA 0.081 45.199 45.100 0.029 0.000 0.946 369 G HN 0.397 nan 8.290 nan 0.000 0.474 370 R N 1.828 122.318 120.500 -0.018 0.000 2.758 370 R HA 0.340 4.680 4.340 0.000 0.000 0.265 370 R C 0.180 176.426 176.300 -0.089 0.000 1.016 370 R CA -0.728 55.353 56.100 -0.031 0.000 1.040 370 R CB 1.325 31.620 30.300 -0.008 0.000 1.152 370 R HN 0.665 nan 8.270 nan 0.000 0.503 371 E N 1.094 121.213 120.200 -0.135 0.000 2.343 371 E HA 0.358 4.708 4.350 0.000 0.000 0.269 371 E C -0.274 176.125 176.600 -0.335 0.000 1.047 371 E CA -0.256 55.938 56.400 -0.343 0.000 0.874 371 E CB 1.446 30.825 29.700 -0.535 0.000 1.033 371 E HN 0.329 nan 8.360 nan 0.000 0.409 372 I N 1.854 122.139 120.570 -0.474 0.000 2.607 372 I HA 0.311 4.481 4.170 0.000 0.000 0.290 372 I C -1.502 174.412 176.117 -0.339 0.000 1.129 372 I CA -0.674 60.487 61.300 -0.232 0.000 1.042 372 I CB 1.263 39.202 38.000 -0.103 0.000 1.242 372 I HN 0.522 nan 8.210 nan 0.000 0.421 373 W N 7.738 129.010 121.300 -0.046 0.000 2.666 373 W HA 0.589 5.249 4.660 0.000 0.000 0.334 373 W C -1.470 175.043 176.519 -0.011 0.000 1.051 373 W CA -0.699 56.568 57.345 -0.130 0.000 1.224 373 W CB 2.035 31.429 29.460 -0.110 0.000 1.405 373 W HN 0.191 nan 8.180 nan 0.000 0.513 374 L N 2.671 123.987 121.223 0.155 0.000 2.410 374 L HA 0.367 4.708 4.340 0.000 0.000 0.270 374 L C -0.331 176.777 176.870 0.398 0.000 0.983 374 L CA -0.666 54.317 54.840 0.238 0.000 0.822 374 L CB 1.850 43.982 42.059 0.122 0.000 1.285 374 L HN 0.146 nan 8.230 nan 0.000 0.409 375 K N 1.326 121.991 120.400 0.442 0.000 2.323 375 K HA 0.853 5.173 4.320 0.000 0.000 0.259 375 K C -0.512 176.208 176.600 0.201 0.000 0.947 375 K CA -0.304 56.222 56.287 0.399 0.000 0.819 375 K CB 1.887 34.525 32.500 0.229 0.000 1.109 375 K HN 0.671 nan 8.250 nan 0.000 0.429 376 G N 2.002 110.893 108.800 0.151 0.000 2.495 376 G HA2 0.597 4.557 3.960 0.000 0.000 0.318 376 G HA3 0.597 4.557 3.960 0.000 0.000 0.318 376 G C -1.410 173.521 174.900 0.051 0.000 1.257 376 G CA -0.636 44.518 45.100 0.089 0.000 0.962 376 G HN 0.443 nan 8.290 nan 0.000 0.483 377 V N 1.192 121.117 119.914 0.019 0.000 2.581 377 V HA 0.732 4.852 4.120 0.000 0.000 0.303 377 V C -0.274 175.798 176.094 -0.035 0.000 1.041 377 V CA -0.618 61.672 62.300 -0.017 0.000 0.907 377 V CB 1.692 33.486 31.823 -0.048 0.000 0.994 377 V HN 0.592 nan 8.190 nan 0.000 0.442 378 V N 1.953 121.842 119.914 -0.042 0.000 2.888 378 V HA 0.397 4.517 4.120 0.000 0.000 0.309 378 V C -0.910 175.155 176.094 -0.048 0.000 1.114 378 V CA -0.746 61.529 62.300 -0.042 0.000 0.940 378 V CB 2.326 34.144 31.823 -0.007 0.000 1.021 378 V HN 0.903 nan 8.190 nan 0.000 0.426 379 D N 2.826 123.196 120.400 -0.050 0.000 2.336 379 D HA 0.076 4.716 4.640 0.000 0.000 0.249 379 D C 0.957 177.282 176.300 0.042 0.000 1.213 379 D CA 0.277 54.284 54.000 0.012 0.000 0.870 379 D CB 0.751 41.581 40.800 0.050 0.000 1.076 379 D HN 0.563 nan 8.370 nan 0.000 0.483 380 N N 2.891 121.622 118.700 0.051 0.000 2.443 380 N HA -0.129 4.611 4.740 0.000 0.000 0.184 380 N C 0.686 176.221 175.510 0.042 0.000 1.037 380 N CA 0.789 53.862 53.050 0.039 0.000 0.896 380 N CB 0.442 38.951 38.487 0.037 0.000 0.959 380 N HN 0.601 nan 8.380 nan 0.000 0.442 381 E N -1.376 118.860 120.200 0.060 0.000 2.307 381 E HA -0.010 4.340 4.350 0.000 0.000 0.195 381 E C 1.454 178.084 176.600 0.050 0.000 0.975 381 E CA 0.966 57.397 56.400 0.053 0.000 0.878 381 E CB 0.308 30.044 29.700 0.060 0.000 0.845 381 E HN 0.384 nan 8.360 nan 0.000 0.488 382 T N -2.694 111.896 114.554 0.061 0.000 2.985 382 T HA 0.125 4.475 4.350 0.000 0.000 0.254 382 T C 0.557 175.283 174.700 0.044 0.000 1.021 382 T CA 0.028 62.161 62.100 0.055 0.000 0.957 382 T CB 0.158 69.070 68.868 0.074 0.000 1.047 382 T HN -0.063 nan 8.240 nan 0.000 0.511 383 N N 0.571 119.293 118.700 0.037 0.000 2.800 383 N HA -0.151 4.589 4.740 0.000 0.000 0.250 383 N C -0.037 175.494 175.510 0.035 0.000 1.078 383 N CA 0.724 53.790 53.050 0.027 0.000 0.804 383 N CB -1.304 37.195 38.487 0.020 0.000 1.135 383 N HN 0.636 nan 8.380 nan 0.000 0.565 384 R N 0.618 121.143 120.500 0.041 0.000 2.357 384 R HA 0.369 4.710 4.340 0.000 0.000 0.296 384 R C -0.209 176.105 176.300 0.023 0.000 1.052 384 R CA -0.660 55.471 56.100 0.051 0.000 0.988 384 R CB 0.395 30.731 30.300 0.061 0.000 1.025 384 R HN 0.138 nan 8.270 nan 0.000 0.469 385 L N 5.411 126.663 121.223 0.047 0.000 2.462 385 L HA 0.050 4.390 4.340 0.000 0.000 0.272 385 L C 0.310 177.168 176.870 -0.020 0.000 1.166 385 L CA 0.761 55.615 54.840 0.024 0.000 0.880 385 L CB 0.793 42.890 42.059 0.065 0.000 1.142 385 L HN 0.808 nan 8.230 nan 0.000 0.473 386 L N 4.112 125.291 121.223 -0.073 0.000 2.515 386 L HA 0.454 4.794 4.340 0.000 0.000 0.223 386 L C 0.860 177.690 176.870 -0.066 0.000 1.079 386 L CA 0.340 55.101 54.840 -0.131 0.000 0.857 386 L CB 0.013 41.889 42.059 -0.305 0.000 1.050 386 L HN 0.794 nan 8.230 nan 0.000 0.476 387 G N -0.568 108.212 108.800 -0.033 0.000 2.519 387 G HA2 0.493 4.453 3.960 0.000 0.000 0.292 387 G HA3 0.493 4.453 3.960 0.000 0.000 0.292 387 G C -1.968 172.948 174.900 0.026 0.000 1.507 387 G CA -0.401 44.698 45.100 -0.002 0.000 0.806 387 G HN -0.303 nan 8.290 nan 0.000 0.523 388 V N 0.404 120.346 119.914 0.047 0.000 2.668 388 V HA 0.559 4.680 4.120 0.000 0.000 0.304 388 V C -0.503 175.662 176.094 0.119 0.000 1.071 388 V CA -0.751 61.598 62.300 0.082 0.000 0.894 388 V CB 1.663 33.531 31.823 0.076 0.000 1.008 388 V HN 0.791 nan 8.190 nan 0.000 0.425 389 Q N 2.746 122.646 119.800 0.167 0.000 2.322 389 Q HA 0.785 5.125 4.340 0.000 0.000 0.265 389 Q C -1.241 174.911 176.000 0.253 0.000 0.985 389 Q CA -0.595 55.355 55.803 0.246 0.000 0.849 389 Q CB 2.809 31.716 28.738 0.282 0.000 1.274 389 Q HN 0.636 nan 8.270 nan 0.000 0.449 390 V N 2.423 122.480 119.914 0.237 0.000 2.680 390 V HA 0.678 4.798 4.120 0.000 0.000 0.309 390 V C -0.875 175.331 176.094 0.186 0.000 1.052 390 V CA -0.826 61.602 62.300 0.213 0.000 0.908 390 V CB 1.954 33.872 31.823 0.158 0.000 1.001 390 V HN 0.528 nan 8.190 nan 0.000 0.431 391 V N 3.292 123.347 119.914 0.233 0.000 2.888 391 V HA 1.013 5.133 4.120 0.000 0.000 0.309 391 V C 0.239 176.527 176.094 0.325 0.000 1.114 391 V CA 0.878 63.298 62.300 0.201 0.000 0.940 391 V CB 1.511 33.413 31.823 0.131 0.000 1.021 391 V HN 1.535 nan 8.190 nan 0.000 0.426 392 G N 4.128 113.076 108.800 0.246 0.000 2.254 392 G HA2 0.111 4.071 3.960 0.000 0.000 0.193 392 G HA3 0.111 4.071 3.960 0.000 0.000 0.193 392 G C -0.270 174.715 174.900 0.142 0.000 1.233 392 G CA 0.218 45.484 45.100 0.277 0.000 1.290 392 G HN 1.726 nan 8.290 nan 0.000 0.517 393 S N 0.092 115.848 115.700 0.093 0.000 2.568 393 S HA 0.551 5.021 4.470 0.000 0.000 0.302 393 S C 0.029 174.649 174.600 0.034 0.000 1.082 393 S CA 0.987 59.218 58.200 0.051 0.000 1.009 393 S CB 1.367 64.585 63.200 0.031 0.000 1.069 393 S HN 1.233 nan 8.310 nan 0.000 0.500 394 D N 1.964 122.381 120.400 0.028 0.000 2.705 394 D HA -0.123 4.517 4.640 0.000 0.000 0.240 394 D C 0.832 177.153 176.300 0.035 0.000 1.137 394 D CA 0.299 54.313 54.000 0.025 0.000 0.677 394 D CB -0.433 40.375 40.800 0.014 0.000 1.049 394 D HN 0.472 nan 8.370 nan 0.000 0.427 395 I N 0.037 120.635 120.570 0.045 0.000 2.193 395 I HA -0.204 3.966 4.170 0.000 0.000 0.240 395 I C 2.699 178.846 176.117 0.049 0.000 1.084 395 I CA 0.535 61.869 61.300 0.058 0.000 1.365 395 I CB -0.933 37.109 38.000 0.070 0.000 1.064 395 I HN 0.275 nan 8.210 nan 0.000 0.410 396 L N 1.920 123.167 121.223 0.040 0.000 2.030 396 L HA -0.210 4.130 4.340 0.000 0.000 0.222 396 L C -0.463 176.422 176.870 0.024 0.000 1.082 396 L CA 2.674 57.532 54.840 0.030 0.000 0.785 396 L CB -2.025 40.046 42.059 0.021 0.000 0.895 396 L HN 0.111 nan 8.230 nan 0.000 0.439 397 P HA -0.152 nan 4.420 nan 0.000 0.216 397 P C 1.401 178.712 177.300 0.018 0.000 1.150 397 P CA 1.518 64.629 63.100 0.018 0.000 0.837 397 P CB 0.040 31.755 31.700 0.025 0.000 0.786 398 R N -0.380 120.138 120.500 0.030 0.000 2.057 398 R HA -0.016 4.324 4.340 0.000 0.000 0.229 398 R C 2.341 178.661 176.300 0.033 0.000 1.136 398 R CA 1.179 57.299 56.100 0.035 0.000 0.952 398 R CB -1.795 28.534 30.300 0.049 0.000 0.848 398 R HN 0.298 nan 8.270 nan 0.000 0.430 399 I N -0.853 119.742 120.570 0.042 0.000 2.493 399 I HA -0.076 4.094 4.170 0.000 0.000 0.254 399 I C 1.071 177.194 176.117 0.010 0.000 1.160 399 I CA 1.717 63.041 61.300 0.040 0.000 1.445 399 I CB -0.136 37.903 38.000 0.065 0.000 1.086 399 I HN -0.090 nan 8.210 nan 0.000 0.433 400 D N 0.953 121.354 120.400 0.002 0.000 2.149 400 D HA -0.105 4.535 4.640 0.000 0.000 0.201 400 D C 2.201 178.478 176.300 -0.038 0.000 0.972 400 D CA 1.704 55.693 54.000 -0.020 0.000 0.835 400 D CB -0.100 40.690 40.800 -0.017 0.000 0.966 400 D HN 0.377 nan 8.370 nan 0.000 0.476 401 T N -0.088 114.449 114.554 -0.030 0.000 2.737 401 T HA -0.082 4.269 4.350 0.000 0.000 0.265 401 T C 1.953 176.612 174.700 -0.069 0.000 1.038 401 T CA 1.363 63.436 62.100 -0.045 0.000 1.144 401 T CB -0.324 68.533 68.868 -0.019 0.000 0.866 401 T HN 0.157 nan 8.240 nan 0.000 0.434 402 A N 1.379 124.177 122.820 -0.037 0.000 1.972 402 A HA 0.157 4.477 4.320 0.000 0.000 0.219 402 A C 2.598 180.138 177.584 -0.073 0.000 1.169 402 A CA 1.762 53.776 52.037 -0.039 0.000 0.635 402 A CB -0.985 18.019 19.000 0.006 0.000 0.810 402 A HN 0.501 nan 8.150 nan 0.000 0.446 403 A N -0.000 122.779 122.820 -0.068 0.000 1.877 403 A HA 0.136 4.456 4.320 0.000 0.000 0.216 403 A C 2.519 180.025 177.584 -0.129 0.000 1.186 403 A CA 2.129 54.116 52.037 -0.083 0.000 0.620 403 A CB -1.050 17.909 19.000 -0.068 0.000 0.822 403 A HN 1.059 nan 8.150 nan 0.000 0.443 404 A N -0.593 122.135 122.820 -0.154 0.000 1.902 404 A HA -0.113 4.207 4.320 0.000 0.000 0.217 404 A C 2.270 179.632 177.584 -0.369 0.000 1.181 404 A CA 1.814 53.724 52.037 -0.213 0.000 0.623 404 A CB -0.557 18.329 19.000 -0.190 0.000 0.818 404 A HN 0.545 nan 8.150 nan 0.000 0.443 405 M N -1.323 118.009 119.600 -0.447 0.000 2.117 405 M HA -0.128 4.352 4.480 0.000 0.000 0.262 405 M C 2.031 178.107 176.300 -0.372 0.000 1.065 405 M CA 1.232 56.082 55.300 -0.751 0.000 1.114 405 M CB -0.432 31.935 32.600 -0.388 0.000 1.361 405 M HN 0.340 nan 8.290 nan 0.000 0.408 406 L N -0.348 120.768 121.223 -0.178 0.000 2.093 406 L HA -0.134 4.206 4.340 0.000 0.000 0.208 406 L C 2.464 179.288 176.870 -0.078 0.000 1.085 406 L CA 1.687 56.481 54.840 -0.076 0.000 0.755 406 L CB -0.677 41.350 42.059 -0.053 0.000 0.904 406 L HN 0.280 nan 8.230 nan 0.000 0.435 407 M N -1.195 118.330 119.600 -0.124 0.000 2.358 407 M HA -0.062 4.418 4.480 0.000 0.000 0.264 407 M C 1.759 178.011 176.300 -0.079 0.000 1.064 407 M CA 1.492 56.727 55.300 -0.109 0.000 1.093 407 M CB -0.256 32.266 32.600 -0.129 0.000 1.401 407 M HN 0.185 nan 8.290 nan 0.000 0.440 408 A N -1.538 121.222 122.820 -0.099 0.000 2.348 408 A HA 0.558 4.878 4.320 0.000 0.000 0.224 408 A C 1.395 179.071 177.584 0.153 0.000 1.227 408 A CA 0.329 52.371 52.037 0.008 0.000 0.885 408 A CB -0.656 18.325 19.000 -0.032 0.000 0.933 408 A HN 0.731 nan 8.150 nan 0.000 0.506 409 G N -0.719 108.159 108.800 0.129 0.000 2.212 409 G HA2 -0.219 3.741 3.960 0.000 0.000 0.255 409 G HA3 -0.219 3.741 3.960 0.000 0.000 0.255 409 G C -0.234 174.845 174.900 0.298 0.000 1.062 409 G CA -0.105 45.098 45.100 0.172 0.000 0.815 409 G HN 0.211 nan 8.290 nan 0.000 0.497 410 F N 1.650 121.616 119.950 0.026 0.000 2.471 410 F HA 0.513 5.040 4.527 0.000 0.000 0.353 410 F C 1.673 177.496 175.800 0.038 0.000 1.113 410 F CA -0.063 57.959 58.000 0.038 0.000 1.262 410 F CB 0.895 39.919 39.000 0.040 0.000 1.146 410 F HN 0.306 nan 8.300 nan 0.000 0.578 411 T N -1.708 112.923 114.554 0.128 0.000 2.862 411 T HA 0.142 4.492 4.350 0.000 0.000 0.276 411 T C 1.193 175.948 174.700 0.092 0.000 0.974 411 T CA -0.148 62.001 62.100 0.082 0.000 0.966 411 T CB 1.207 70.095 68.868 0.034 0.000 1.072 411 T HN 0.615 nan 8.240 nan 0.000 0.538 412 T N -0.906 113.684 114.554 0.059 0.000 2.803 412 T HA -0.116 4.234 4.350 0.000 0.000 0.269 412 T C 1.716 176.439 174.700 0.038 0.000 1.052 412 T CA 1.514 63.642 62.100 0.046 0.000 1.136 412 T CB -0.543 68.329 68.868 0.006 0.000 0.864 412 T HN 0.644 nan 8.240 nan 0.000 0.467 413 K N 0.084 120.500 120.400 0.026 0.000 2.076 413 K HA -0.075 4.245 4.320 0.000 0.000 0.204 413 K C 1.864 178.539 176.600 0.126 0.000 1.051 413 K CA 1.333 57.645 56.287 0.042 0.000 0.949 413 K CB -0.187 32.368 32.500 0.091 0.000 0.726 413 K HN 0.374 nan 8.250 nan 0.000 0.443 414 D N 0.726 121.148 120.400 0.038 0.000 2.123 414 D HA -0.158 4.482 4.640 0.000 0.000 0.196 414 D C 1.738 178.054 176.300 0.026 0.000 0.992 414 D CA 1.303 55.217 54.000 -0.142 0.000 0.833 414 D CB 0.004 40.382 40.800 -0.703 0.000 0.954 414 D HN 0.296 nan 8.370 nan 0.000 0.455 415 A N 0.659 123.599 122.820 0.200 0.000 1.898 415 A HA -0.163 4.157 4.320 0.000 0.000 0.216 415 A C 2.063 179.753 177.584 0.176 0.000 1.181 415 A CA 0.825 53.040 52.037 0.297 0.000 0.620 415 A CB -0.950 18.201 19.000 0.252 0.000 0.819 415 A HN 0.214 nan 8.150 nan 0.000 0.442 416 F N -0.191 119.717 119.950 -0.070 0.000 2.126 416 F HA -0.155 4.372 4.527 0.000 0.000 0.299 416 F C 1.291 176.961 175.800 -0.217 0.000 1.096 416 F CA 1.465 59.329 58.000 -0.227 0.000 1.255 416 F CB -0.275 38.415 39.000 -0.517 0.000 0.997 416 F HN 0.196 nan 8.300 nan 0.000 0.479 417 F N 0.319 120.311 119.950 0.071 0.000 2.692 417 F HA 0.170 4.697 4.527 0.000 0.000 0.303 417 F C 0.904 176.686 175.800 -0.030 0.000 1.114 417 F CA -0.087 57.892 58.000 -0.035 0.000 1.361 417 F CB -1.363 37.668 39.000 0.052 0.000 1.063 417 F HN -0.337 nan 8.300 nan 0.000 0.550 418 T N 0.337 114.978 114.554 0.146 0.000 2.851 418 T HA -0.032 4.318 4.350 0.000 0.000 0.298 418 T C 0.207 174.943 174.700 0.059 0.000 0.977 418 T CA -0.301 61.886 62.100 0.144 0.000 1.126 418 T CB 0.583 69.576 68.868 0.208 0.000 0.916 418 T HN -0.064 nan 8.240 nan 0.000 0.529 419 D N 3.892 124.320 120.400 0.048 0.000 2.541 419 D HA 0.113 4.753 4.640 0.000 0.000 0.231 419 D C 0.062 176.357 176.300 -0.009 0.000 1.163 419 D CA -0.021 53.981 54.000 0.004 0.000 1.077 419 D CB -0.379 40.422 40.800 0.001 0.000 1.110 419 D HN 0.402 nan 8.370 nan 0.000 0.499 420 L N 1.407 122.619 121.223 -0.018 0.000 2.418 420 L HA 0.386 4.726 4.340 0.000 0.000 0.265 420 L C 1.075 177.929 176.870 -0.028 0.000 1.143 420 L CA -0.908 53.920 54.840 -0.019 0.000 0.809 420 L CB 0.941 42.995 42.059 -0.008 0.000 1.124 420 L HN 0.202 nan 8.230 nan 0.000 0.456 421 A N 2.461 125.256 122.820 -0.042 0.000 2.386 421 A HA 0.360 4.680 4.320 0.000 0.000 0.248 421 A C -1.018 176.572 177.584 0.011 0.000 1.082 421 A CA 0.143 52.141 52.037 -0.065 0.000 0.789 421 A CB 0.325 19.227 19.000 -0.162 0.000 1.025 421 A HN 0.610 nan 8.150 nan 0.000 0.490 422 Y N -0.193 120.028 120.300 -0.132 0.000 2.482 422 Y HA 0.556 5.106 4.550 0.000 0.000 0.334 422 Y C -0.601 175.259 175.900 -0.066 0.000 1.091 422 Y CA -0.213 57.828 58.100 -0.098 0.000 1.027 422 Y CB 1.371 39.760 38.460 -0.118 0.000 1.306 422 Y HN 1.431 nan 8.280 nan 0.000 0.446 423 A N 6.186 128.318 122.820 -1.146 0.000 2.583 423 A HA 0.523 4.843 4.320 0.000 0.000 0.298 423 A C -2.869 174.314 177.584 -0.668 0.000 1.055 423 A CA -1.262 50.234 52.037 -0.902 0.000 0.714 423 A CB 1.038 19.931 19.000 -0.177 0.000 1.277 423 A HN 0.444 nan 8.150 nan 0.000 0.406 424 P HA -0.093 nan 4.420 nan 0.000 0.216 424 P C -1.579 175.146 177.300 -0.958 0.000 1.150 424 P CA 1.830 64.591 63.100 -0.565 0.000 0.843 424 P CB -0.419 31.095 31.700 -0.309 0.000 0.787 425 P HA -0.053 nan 4.420 nan 0.000 0.225 425 P C 0.794 177.680 177.300 -0.689 0.000 1.156 425 P CA 1.158 63.796 63.100 -0.770 0.000 0.787 425 P CB -0.293 31.025 31.700 -0.637 0.000 0.802 426 F N -1.230 118.544 119.950 -0.294 0.000 2.453 426 F HA 0.460 4.987 4.527 0.000 0.000 0.284 426 F C 1.270 176.986 175.800 -0.140 0.000 1.065 426 F CA 0.228 58.120 58.000 -0.181 0.000 1.411 426 F CB -0.109 38.799 39.000 -0.153 0.000 1.131 426 F HN -0.194 nan 8.300 nan 0.000 0.582 427 A N -0.760 122.091 122.820 0.051 0.000 2.540 427 A HA 0.576 4.896 4.320 0.000 0.000 0.291 427 A C -2.859 174.800 177.584 0.125 0.000 1.083 427 A CA -1.200 50.873 52.037 0.060 0.000 0.650 427 A CB 0.327 19.386 19.000 0.099 0.000 1.292 427 A HN -0.195 nan 8.150 nan 0.000 0.435 428 P HA 0.382 nan 4.420 nan 0.000 0.278 428 P C 0.861 178.110 177.300 -0.085 0.000 1.258 428 P CA -0.235 62.873 63.100 0.013 0.000 0.811 428 P CB 0.983 32.649 31.700 -0.057 0.000 1.063 429 V N -0.664 118.947 119.914 -0.506 0.000 2.231 429 V HA -0.189 3.931 4.120 0.000 0.000 0.248 429 V C 0.811 176.612 176.094 -0.488 0.000 1.054 429 V CA 1.602 63.339 62.300 -0.939 0.000 1.015 429 V CB -1.154 30.096 31.823 -0.954 0.000 0.638 429 V HN 0.569 nan 8.190 nan 0.000 0.444 430 W N 0.776 121.928 121.300 -0.247 0.000 2.387 430 W HA 0.425 5.085 4.660 0.000 0.000 0.310 430 W C 0.105 176.553 176.519 -0.118 0.000 1.181 430 W CA -0.671 56.575 57.345 -0.165 0.000 1.333 430 W CB 0.017 29.404 29.460 -0.123 0.000 1.286 430 W HN 0.076 nan 8.180 nan 0.000 0.455 431 D N 3.806 124.271 120.400 0.108 0.000 2.400 431 D HA 0.006 4.646 4.640 0.000 0.000 0.238 431 D C -1.292 175.052 176.300 0.073 0.000 1.157 431 D CA -0.995 53.046 54.000 0.068 0.000 0.889 431 D CB 1.328 42.154 40.800 0.045 0.000 1.199 431 D HN 0.077 nan 8.370 nan 0.000 0.436 432 P HA -0.074 nan 4.420 nan 0.000 0.222 432 P C 1.082 178.401 177.300 0.031 0.000 1.147 432 P CA 0.385 63.493 63.100 0.015 0.000 0.790 432 P CB 0.153 31.846 31.700 -0.013 0.000 0.780 433 L N -1.341 119.909 121.223 0.045 0.000 2.131 433 L HA -0.034 4.306 4.340 0.000 0.000 0.206 433 L C 1.868 178.779 176.870 0.068 0.000 1.087 433 L CA 1.704 56.576 54.840 0.054 0.000 0.767 433 L CB -0.975 41.114 42.059 0.050 0.000 0.917 433 L HN -0.172 nan 8.230 nan 0.000 0.441 434 I N -1.383 119.232 120.570 0.075 0.000 2.439 434 I HA -0.157 4.013 4.170 0.000 0.000 0.251 434 I C 2.328 178.517 176.117 0.121 0.000 1.139 434 I CA 0.878 62.235 61.300 0.094 0.000 1.438 434 I CB -0.524 37.525 38.000 0.081 0.000 1.085 434 I HN 0.009 nan 8.210 nan 0.000 0.427 435 V N 0.065 120.021 119.914 0.070 0.000 2.295 435 V HA -0.255 3.865 4.120 0.000 0.000 0.246 435 V C 2.415 178.507 176.094 -0.004 0.000 1.049 435 V CA 1.590 63.882 62.300 -0.014 0.000 1.024 435 V CB -0.643 31.150 31.823 -0.049 0.000 0.648 435 V HN 0.365 nan 8.190 nan 0.000 0.447 436 L N 0.930 122.167 121.223 0.023 0.000 2.012 436 L HA -0.136 4.205 4.340 0.000 0.000 0.210 436 L C 2.463 179.358 176.870 0.042 0.000 1.073 436 L CA 2.454 57.313 54.840 0.033 0.000 0.748 436 L CB -0.994 41.099 42.059 0.056 0.000 0.891 436 L HN 0.232 nan 8.230 nan 0.000 0.431 437 A N -0.164 122.703 122.820 0.078 0.000 1.883 437 A HA -0.287 4.033 4.320 0.000 0.000 0.217 437 A C 2.429 180.041 177.584 0.048 0.000 1.186 437 A CA 2.015 54.110 52.037 0.097 0.000 0.624 437 A CB -0.694 18.409 19.000 0.172 0.000 0.822 437 A HN 0.554 nan 8.150 nan 0.000 0.444 438 R N -0.091 120.465 120.500 0.093 0.000 2.083 438 R HA -0.099 4.241 4.340 0.000 0.000 0.237 438 R C 1.693 177.899 176.300 -0.156 0.000 1.137 438 R CA 2.341 58.383 56.100 -0.098 0.000 0.951 438 R CB -1.153 29.141 30.300 -0.010 0.000 0.851 438 R HN 0.224 nan 8.270 nan 0.000 0.434 439 V N 0.609 120.470 119.914 -0.090 0.000 2.427 439 V HA -0.165 3.955 4.120 0.000 0.000 0.248 439 V C 2.207 178.265 176.094 -0.060 0.000 1.051 439 V CA 1.263 63.515 62.300 -0.079 0.000 1.048 439 V CB -0.508 31.285 31.823 -0.050 0.000 0.666 439 V HN 0.250 nan 8.190 nan 0.000 0.456 440 L N 0.143 121.344 121.223 -0.038 0.000 2.056 440 L HA -0.116 4.224 4.340 0.000 0.000 0.207 440 L C 2.373 179.210 176.870 -0.054 0.000 1.078 440 L CA 1.873 56.698 54.840 -0.025 0.000 0.749 440 L CB -1.305 40.755 42.059 0.002 0.000 0.901 440 L HN 0.373 nan 8.230 nan 0.000 0.433 441 K N 0.343 120.685 120.400 -0.097 0.000 2.009 441 K HA -0.201 4.119 4.320 0.000 0.000 0.210 441 K C 1.633 178.152 176.600 -0.135 0.000 1.049 441 K CA 1.752 57.955 56.287 -0.139 0.000 0.929 441 K CB -0.019 32.317 32.500 -0.272 0.000 0.714 441 K HN 0.379 nan 8.250 nan 0.000 0.440 442 E N 0.265 120.371 120.200 -0.157 0.000 2.478 442 E HA -0.004 4.346 4.350 0.000 0.000 0.198 442 E C 0.889 177.442 176.600 -0.079 0.000 1.046 442 E CA 0.105 56.430 56.400 -0.126 0.000 0.870 442 E CB 0.133 29.747 29.700 -0.143 0.000 0.818 442 E HN 0.385 nan 8.360 nan 0.000 0.527 443 G N 0.000 108.762 108.800 -0.064 0.000 5.446 443 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 443 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 443 G CA 0.000 45.078 45.100 -0.037 0.000 0.502 443 G HN 0.000 nan 8.290 nan 0.000 0.925