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 2egx_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIVVKVGGAE GINYEAVAKD AASLWKEGVK LLLVHGGSAE TNKVAEALGH DATA SEQUENCE PPRFXXXXXX XVSRLTDRKT LEIFEMVYCG LVNKRLVELL QKEGANAIGL DATA SEQUENCE SGLDGRLFVG RRKXXXXXXX XXXXXXXXXD YTGTVEEVNK ALLDLLLQAG DATA SEQUENCE YLPVLTPPAL SYENEAINTD GDQIAALLAT LYGAEALVYL SNVPGLLAXX DATA SEQUENCE XXXXSLVREI PVERIEDPEY LALAQGRMKR KVMGAVEAVK GGVKRVVFAD DATA SEQUENCE GRVENPIRRA LSGEGTVVR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.281 176.300 -0.031 0.000 1.140 1 M CA 0.000 55.284 55.300 -0.026 0.000 0.988 1 M CB 0.000 32.578 32.600 -0.037 0.000 1.302 2 I N 4.436 124.975 120.570 -0.051 0.000 2.499 2 I HA 0.626 4.796 4.170 0.000 0.000 0.288 2 I C -1.002 175.069 176.117 -0.076 0.000 1.048 2 I CA -1.114 60.154 61.300 -0.052 0.000 1.062 2 I CB 2.166 40.145 38.000 -0.036 0.000 1.238 2 I HN 0.501 nan 8.210 nan 0.000 0.426 3 V N 7.190 127.047 119.914 -0.094 0.000 2.394 3 V HA 0.399 4.519 4.120 0.000 0.000 0.282 3 V C -0.121 175.881 176.094 -0.153 0.000 1.031 3 V CA -0.602 61.630 62.300 -0.113 0.000 0.881 3 V CB 1.889 33.646 31.823 -0.109 0.000 0.982 3 V HN 0.378 nan 8.190 nan 0.000 0.451 4 V N 4.807 124.647 119.914 -0.123 0.000 2.409 4 V HA 0.483 4.603 4.120 0.000 0.000 0.291 4 V C -0.166 175.855 176.094 -0.122 0.000 1.020 4 V CA -0.925 61.294 62.300 -0.135 0.000 0.848 4 V CB 1.817 33.599 31.823 -0.068 0.000 0.990 4 V HN 0.840 nan 8.190 nan 0.000 0.430 5 K N 4.665 124.948 120.400 -0.194 0.000 2.240 5 K HA 0.570 4.890 4.320 0.000 0.000 0.271 5 K C -1.079 175.529 176.600 0.012 0.000 1.018 5 K CA -0.296 55.936 56.287 -0.091 0.000 0.874 5 K CB 1.479 33.886 32.500 -0.155 0.000 1.098 5 K HN 0.409 nan 8.250 nan 0.000 0.458 6 V N 4.556 124.510 119.914 0.067 0.000 2.383 6 V HA 0.447 4.567 4.120 0.000 0.000 0.275 6 V C 0.973 177.121 176.094 0.092 0.000 1.036 6 V CA -0.554 61.781 62.300 0.059 0.000 0.889 6 V CB 0.999 32.866 31.823 0.072 0.000 0.985 6 V HN 0.918 nan 8.190 nan 0.000 0.459 7 G N 3.237 112.077 108.800 0.066 0.000 2.636 7 G HA2 0.402 4.362 3.960 0.000 0.000 0.246 7 G HA3 0.402 4.362 3.960 0.000 0.000 0.246 7 G C 0.910 175.839 174.900 0.049 0.000 1.216 7 G CA 0.138 45.288 45.100 0.084 0.000 0.854 7 G HN 1.011 nan 8.290 nan 0.000 0.572 8 G N -0.779 108.058 108.800 0.062 0.000 3.233 8 G HA2 0.480 4.440 3.960 0.000 0.000 0.234 8 G HA3 0.480 4.440 3.960 0.000 0.000 0.234 8 G C 0.691 175.608 174.900 0.027 0.000 1.137 8 G CA 0.765 45.884 45.100 0.031 0.000 0.763 8 G HN 0.952 nan 8.290 nan 0.000 0.549 9 A N 0.343 123.178 122.820 0.025 0.000 2.407 9 A HA 0.489 4.809 4.320 0.000 0.000 0.248 9 A C 0.485 178.070 177.584 0.003 0.000 1.082 9 A CA -0.404 51.642 52.037 0.015 0.000 0.785 9 A CB 0.406 19.413 19.000 0.012 0.000 1.020 9 A HN 0.370 nan 8.150 nan 0.000 0.489 10 E N 0.262 120.466 120.200 0.006 0.000 2.481 10 E HA 0.274 4.624 4.350 0.000 0.000 0.263 10 E C 1.212 177.807 176.600 -0.008 0.000 0.992 10 E CA 1.172 57.575 56.400 0.006 0.000 0.938 10 E CB 0.065 29.769 29.700 0.007 0.000 0.933 10 E HN 1.449 nan 8.360 nan 0.000 0.453 11 G N 4.049 112.843 108.800 -0.009 0.000 2.213 11 G HA2 -0.214 3.746 3.960 0.000 0.000 0.226 11 G HA3 -0.214 3.746 3.960 0.000 0.000 0.226 11 G C 0.243 175.105 174.900 -0.063 0.000 0.992 11 G CA -0.037 45.049 45.100 -0.024 0.000 0.632 11 G HN 0.514 nan 8.290 nan 0.000 0.511 12 I N 1.763 122.262 120.570 -0.119 0.000 2.826 12 I HA 0.038 4.208 4.170 0.000 0.000 0.295 12 I C 0.536 176.489 176.117 -0.273 0.000 1.213 12 I CA 0.079 61.218 61.300 -0.268 0.000 1.436 12 I CB 0.446 38.127 38.000 -0.532 0.000 1.348 12 I HN 0.196 nan 8.210 nan 0.000 0.570 13 N N 6.542 125.106 118.700 -0.227 0.000 2.918 13 N HA 0.055 4.796 4.740 0.000 0.000 0.247 13 N C 0.712 176.142 175.510 -0.133 0.000 1.117 13 N CA -0.206 52.773 53.050 -0.119 0.000 1.005 13 N CB 0.107 38.556 38.487 -0.063 0.000 1.297 13 N HN 0.310 nan 8.380 nan 0.000 0.513 14 Y N 1.412 121.691 120.300 -0.035 0.000 2.151 14 Y HA -0.229 4.321 4.550 0.000 0.000 0.284 14 Y C 1.805 177.682 175.900 -0.039 0.000 1.166 14 Y CA 1.433 59.505 58.100 -0.047 0.000 1.163 14 Y CB 0.135 38.553 38.460 -0.069 0.000 0.974 14 Y HN 0.442 nan 8.280 nan 0.000 0.511 15 E N -0.121 120.146 120.200 0.112 0.000 2.058 15 E HA -0.217 4.133 4.350 0.000 0.000 0.194 15 E C 2.415 179.032 176.600 0.029 0.000 0.997 15 E CA 1.408 57.841 56.400 0.055 0.000 0.801 15 E CB -0.654 29.068 29.700 0.036 0.000 0.746 15 E HN 0.422 nan 8.360 nan 0.000 0.450 16 A N 0.454 123.281 122.820 0.012 0.000 1.933 16 A HA -0.153 4.167 4.320 0.000 0.000 0.218 16 A C 2.493 180.075 177.584 -0.003 0.000 1.175 16 A CA 1.454 53.490 52.037 -0.001 0.000 0.628 16 A CB -0.720 18.271 19.000 -0.014 0.000 0.814 16 A HN 0.150 nan 8.150 nan 0.000 0.444 17 V N -0.151 119.754 119.914 -0.014 0.000 2.295 17 V HA -0.249 3.871 4.120 0.000 0.000 0.246 17 V C 3.075 179.176 176.094 0.013 0.000 1.049 17 V CA 1.976 64.268 62.300 -0.013 0.000 1.024 17 V CB -1.280 30.520 31.823 -0.039 0.000 0.648 17 V HN 0.618 nan 8.190 nan 0.000 0.447 18 A N -0.336 122.501 122.820 0.029 0.000 1.883 18 A HA -0.293 4.027 4.320 0.000 0.000 0.217 18 A C 2.338 179.931 177.584 0.015 0.000 1.186 18 A CA 2.337 54.386 52.037 0.020 0.000 0.624 18 A CB -0.544 18.468 19.000 0.021 0.000 0.822 18 A HN 0.519 nan 8.150 nan 0.000 0.444 19 K N -0.801 119.610 120.400 0.018 0.000 2.032 19 K HA -0.244 4.076 4.320 0.000 0.000 0.209 19 K C 1.775 178.392 176.600 0.028 0.000 1.048 19 K CA 1.932 58.232 56.287 0.021 0.000 0.927 19 K CB -0.229 32.282 32.500 0.017 0.000 0.712 19 K HN 0.432 nan 8.250 nan 0.000 0.441 20 D N -0.395 120.019 120.400 0.022 0.000 2.123 20 D HA -0.047 4.593 4.640 0.000 0.000 0.200 20 D C 1.662 177.986 176.300 0.040 0.000 0.976 20 D CA 1.259 55.275 54.000 0.026 0.000 0.831 20 D CB -0.029 40.779 40.800 0.014 0.000 0.974 20 D HN 0.315 nan 8.370 nan 0.000 0.469 21 A N 0.542 123.384 122.820 0.036 0.000 1.902 21 A HA -0.013 4.307 4.320 0.000 0.000 0.217 21 A C 2.331 179.974 177.584 0.098 0.000 1.181 21 A CA 2.252 54.320 52.037 0.051 0.000 0.623 21 A CB -0.977 18.036 19.000 0.022 0.000 0.818 21 A HN 0.283 nan 8.150 nan 0.000 0.443 22 A N -0.847 122.020 122.820 0.077 0.000 1.902 22 A HA -0.105 4.215 4.320 0.000 0.000 0.217 22 A C 2.487 180.184 177.584 0.187 0.000 1.181 22 A CA 2.178 54.292 52.037 0.129 0.000 0.623 22 A CB -1.009 18.030 19.000 0.065 0.000 0.818 22 A HN 0.581 nan 8.150 nan 0.000 0.443 23 S N -0.496 115.271 115.700 0.112 0.000 2.359 23 S HA -0.128 4.342 4.470 0.000 0.000 0.224 23 S C 1.947 176.601 174.600 0.089 0.000 1.035 23 S CA 1.586 59.839 58.200 0.087 0.000 1.018 23 S CB -0.485 62.746 63.200 0.052 0.000 0.876 23 S HN 0.478 nan 8.310 nan 0.000 0.448 24 L N -0.655 120.625 121.223 0.096 0.000 2.056 24 L HA -0.061 4.279 4.340 0.000 0.000 0.207 24 L C 2.310 179.246 176.870 0.109 0.000 1.078 24 L CA 1.600 56.488 54.840 0.079 0.000 0.749 24 L CB -0.521 41.580 42.059 0.071 0.000 0.901 24 L HN 0.516 nan 8.230 nan 0.000 0.433 25 W N 1.360 122.650 121.300 -0.016 0.000 2.358 25 W HA -0.210 4.450 4.660 0.000 0.000 0.303 25 W C 2.423 178.930 176.519 -0.020 0.000 1.208 25 W CA 1.471 58.805 57.345 -0.018 0.000 1.274 25 W CB 0.026 29.478 29.460 -0.013 0.000 1.138 25 W HN -0.093 nan 8.180 nan 0.000 0.515 26 K N -0.025 120.435 120.400 0.100 0.000 2.283 26 K HA -0.146 4.174 4.320 0.000 0.000 0.202 26 K C 1.649 178.161 176.600 -0.147 0.000 1.048 26 K CA 1.455 57.696 56.287 -0.077 0.000 0.948 26 K CB -0.217 32.328 32.500 0.075 0.000 0.742 26 K HN 0.308 nan 8.250 nan 0.000 0.458 27 E N -0.609 119.535 120.200 -0.094 0.000 2.358 27 E HA -0.040 4.310 4.350 0.000 0.000 0.195 27 E C 0.899 177.418 176.600 -0.135 0.000 1.010 27 E CA 0.544 56.891 56.400 -0.089 0.000 0.856 27 E CB 0.342 30.016 29.700 -0.043 0.000 0.795 27 E HN 0.497 nan 8.360 nan 0.000 0.504 28 G N 0.785 109.457 108.800 -0.213 0.000 2.168 28 G HA2 -0.218 3.743 3.960 0.000 0.000 0.197 28 G HA3 -0.218 3.743 3.960 0.000 0.000 0.197 28 G C 0.209 175.012 174.900 -0.162 0.000 0.997 28 G CA -0.094 44.867 45.100 -0.231 0.000 0.658 28 G HN 0.108 nan 8.290 nan 0.000 0.513 29 V N 2.644 122.493 119.914 -0.109 0.000 2.470 29 V HA 0.291 4.411 4.120 0.000 0.000 0.276 29 V C 0.848 176.932 176.094 -0.018 0.000 1.040 29 V CA -0.470 61.803 62.300 -0.044 0.000 1.008 29 V CB 1.258 33.078 31.823 -0.005 0.000 0.990 29 V HN 0.201 nan 8.190 nan 0.000 0.477 30 K N 4.182 124.572 120.400 -0.017 0.000 2.412 30 K HA 0.378 4.698 4.320 0.000 0.000 0.281 30 K C -0.581 176.034 176.600 0.025 0.000 1.027 30 K CA -0.107 56.185 56.287 0.009 0.000 0.989 30 K CB 0.977 33.468 32.500 -0.015 0.000 0.935 30 K HN 0.465 nan 8.250 nan 0.000 0.475 31 L N 3.596 124.863 121.223 0.072 0.000 2.434 31 L HA 0.507 4.847 4.340 0.000 0.000 0.260 31 L C -1.697 175.170 176.870 -0.004 0.000 0.983 31 L CA -0.546 54.318 54.840 0.040 0.000 0.820 31 L CB 1.751 43.877 42.059 0.112 0.000 1.361 31 L HN 0.518 nan 8.230 nan 0.000 0.410 32 L N 4.956 126.149 121.223 -0.051 0.000 2.406 32 L HA 0.558 4.898 4.340 0.000 0.000 0.272 32 L C -1.234 175.623 176.870 -0.022 0.000 0.980 32 L CA -0.493 54.315 54.840 -0.053 0.000 0.831 32 L CB 1.965 43.955 42.059 -0.117 0.000 1.253 32 L HN 0.491 nan 8.230 nan 0.000 0.406 33 L N 4.115 125.344 121.223 0.010 0.000 2.317 33 L HA 0.709 5.049 4.340 0.000 0.000 0.281 33 L C -0.704 176.207 176.870 0.068 0.000 1.024 33 L CA -0.900 53.960 54.840 0.033 0.000 0.810 33 L CB 2.215 44.304 42.059 0.050 0.000 1.240 33 L HN 0.250 nan 8.230 nan 0.000 0.427 34 V N 1.537 121.486 119.914 0.059 0.000 2.656 34 V HA 0.470 4.590 4.120 0.000 0.000 0.307 34 V C -0.694 175.454 176.094 0.089 0.000 1.051 34 V CA -0.685 61.643 62.300 0.047 0.000 0.893 34 V CB 1.733 33.565 31.823 0.016 0.000 0.999 34 V HN 0.944 nan 8.190 nan 0.000 0.426 35 H N 1.876 121.013 119.070 0.111 0.000 2.927 35 H HA 0.981 5.537 4.556 0.000 0.000 0.316 35 H C 0.055 175.455 175.328 0.121 0.000 1.403 35 H CA -0.163 55.949 56.048 0.107 0.000 1.288 35 H CB 1.778 31.610 29.762 0.116 0.000 1.944 35 H HN 0.758 nan 8.280 nan 0.000 0.629 36 G N -2.467 106.496 108.800 0.273 0.000 3.214 36 G HA2 0.495 4.456 3.960 0.000 0.000 0.188 36 G HA3 0.495 4.456 3.960 0.000 0.000 0.188 36 G C -0.032 174.553 174.900 -0.526 0.000 1.126 36 G CA -0.962 44.164 45.100 0.043 0.000 0.796 36 G HN 1.487 nan 8.290 nan 0.000 0.631 37 G N -0.832 107.470 108.800 -0.830 0.000 4.112 37 G HA2 0.279 4.239 3.960 0.000 0.000 0.223 37 G HA3 0.279 4.239 3.960 0.000 0.000 0.223 37 G C 1.085 175.679 174.900 -0.510 0.000 0.883 37 G CA 1.152 45.732 45.100 -0.867 0.000 1.195 37 G HN 1.385 nan 8.290 nan 0.000 0.730 38 S N 0.400 116.036 115.700 -0.107 0.000 2.348 38 S HA 0.072 4.542 4.470 0.000 0.000 0.221 38 S C 2.680 177.349 174.600 0.115 0.000 1.033 38 S CA 1.856 60.156 58.200 0.167 0.000 1.010 38 S CB -0.511 62.834 63.200 0.241 0.000 0.891 38 S HN 1.408 nan 8.310 nan 0.000 0.442 39 A N 2.167 125.022 122.820 0.059 0.000 1.883 39 A HA -0.159 4.161 4.320 0.000 0.000 0.217 39 A C 2.208 179.816 177.584 0.041 0.000 1.186 39 A CA 1.749 53.818 52.037 0.052 0.000 0.624 39 A CB -0.908 18.111 19.000 0.031 0.000 0.822 39 A HN 0.706 nan 8.150 nan 0.000 0.444 40 E N -1.079 119.120 120.200 -0.001 0.000 2.204 40 E HA -0.105 4.245 4.350 0.000 0.000 0.194 40 E C 1.989 178.594 176.600 0.009 0.000 0.989 40 E CA 1.342 57.735 56.400 -0.012 0.000 0.824 40 E CB -0.269 29.396 29.700 -0.058 0.000 0.756 40 E HN 0.614 nan 8.360 nan 0.000 0.477 41 T N 1.361 115.930 114.554 0.026 0.000 2.777 41 T HA -0.090 4.260 4.350 0.000 0.000 0.266 41 T C 1.587 176.360 174.700 0.122 0.000 1.040 41 T CA 0.910 63.063 62.100 0.087 0.000 1.141 41 T CB -0.155 68.818 68.868 0.175 0.000 0.868 41 T HN 0.117 nan 8.240 nan 0.000 0.444 42 N N 1.370 120.160 118.700 0.150 0.000 2.104 42 N HA -0.069 4.671 4.740 0.000 0.000 0.190 42 N C 1.841 177.421 175.510 0.118 0.000 1.024 42 N CA 1.107 54.260 53.050 0.171 0.000 0.853 42 N CB -0.184 38.422 38.487 0.200 0.000 1.008 42 N HN 0.440 nan 8.380 nan 0.000 0.424 43 K N 0.479 120.929 120.400 0.084 0.000 2.026 43 K HA -0.018 4.302 4.320 0.000 0.000 0.208 43 K C 2.067 178.702 176.600 0.059 0.000 1.048 43 K CA 0.822 57.145 56.287 0.061 0.000 0.929 43 K CB -0.130 32.395 32.500 0.040 0.000 0.713 43 K HN -0.048 nan 8.250 nan 0.000 0.439 44 V N 1.327 121.274 119.914 0.055 0.000 2.358 44 V HA -0.243 3.877 4.120 0.000 0.000 0.246 44 V C 2.324 178.461 176.094 0.072 0.000 1.047 44 V CA 1.979 64.310 62.300 0.051 0.000 1.035 44 V CB -0.669 31.176 31.823 0.038 0.000 0.658 44 V HN 0.359 nan 8.190 nan 0.000 0.452 45 A N -0.243 122.632 122.820 0.091 0.000 1.908 45 A HA -0.275 4.045 4.320 0.000 0.000 0.218 45 A C 2.171 179.832 177.584 0.128 0.000 1.181 45 A CA 2.162 54.268 52.037 0.116 0.000 0.627 45 A CB -0.503 18.572 19.000 0.124 0.000 0.818 45 A HN 0.544 nan 8.150 nan 0.000 0.445 46 E N -0.084 120.177 120.200 0.103 0.000 2.031 46 E HA -0.082 4.268 4.350 0.000 0.000 0.193 46 E C 2.146 178.790 176.600 0.072 0.000 0.994 46 E CA 1.576 58.026 56.400 0.084 0.000 0.800 46 E CB -0.447 29.296 29.700 0.072 0.000 0.752 46 E HN 0.505 nan 8.360 nan 0.000 0.447 47 A N 0.013 122.873 122.820 0.066 0.000 2.076 47 A HA -0.117 4.204 4.320 0.000 0.000 0.220 47 A C 1.963 179.590 177.584 0.071 0.000 1.160 47 A CA 1.067 53.137 52.037 0.055 0.000 0.653 47 A CB -0.470 18.556 19.000 0.043 0.000 0.801 47 A HN 0.305 nan 8.150 nan 0.000 0.455 48 L N -1.253 120.036 121.223 0.109 0.000 2.592 48 L HA 0.218 4.558 4.340 0.000 0.000 0.227 48 L C 1.430 178.461 176.870 0.268 0.000 1.127 48 L CA 0.426 55.367 54.840 0.169 0.000 0.884 48 L CB -0.161 41.992 42.059 0.157 0.000 1.065 48 L HN 0.552 nan 8.230 nan 0.000 0.457 49 G N 0.528 109.402 108.800 0.125 0.000 2.212 49 G HA2 -0.289 3.671 3.960 0.000 0.000 0.255 49 G HA3 -0.289 3.671 3.960 0.000 0.000 0.255 49 G C -0.197 174.518 174.900 -0.308 0.000 1.062 49 G CA -0.083 44.982 45.100 -0.058 0.000 0.815 49 G HN 0.611 nan 8.290 nan 0.000 0.497 50 H N -0.729 118.358 119.070 0.028 0.000 2.514 50 H HA 0.378 4.934 4.556 0.000 0.000 0.226 50 H C -2.528 172.821 175.328 0.035 0.000 1.421 50 H CA -1.399 54.665 56.048 0.027 0.000 1.394 50 H CB 0.858 30.634 29.762 0.024 0.000 1.701 50 H HN 0.198 nan 8.280 nan 0.000 0.515 51 P HA -0.056 nan 4.420 nan 0.000 0.263 51 P C -2.263 175.094 177.300 0.094 0.000 1.168 51 P CA -0.537 62.618 63.100 0.091 0.000 0.759 51 P CB 0.370 32.108 31.700 0.063 0.000 0.782 52 P HA 0.219 nan 4.420 nan 0.000 0.270 52 P C -0.499 176.818 177.300 0.028 0.000 1.223 52 P CA 0.113 63.242 63.100 0.048 0.000 0.785 52 P CB 0.758 32.605 31.700 0.246 0.000 0.923 53 R N 1.296 121.648 120.500 -0.247 0.000 2.574 53 R HA 0.618 4.958 4.340 0.000 0.000 0.288 53 R C -0.922 175.167 176.300 -0.351 0.000 1.004 53 R CA -0.418 55.621 56.100 -0.102 0.000 0.895 53 R CB 1.295 31.556 30.300 -0.065 0.000 1.191 53 R HN 0.371 nan 8.270 nan 0.000 0.444 63 S N 1.229 117.066 115.700 0.229 0.000 2.543 63 S HA 0.703 5.173 4.470 0.000 0.000 0.271 63 S C -0.751 173.920 174.600 0.118 0.000 1.148 63 S CA -0.434 57.875 58.200 0.183 0.000 0.914 63 S CB 1.879 65.125 63.200 0.077 0.000 1.096 63 S HN 1.599 nan 8.310 nan 0.000 0.471 64 R N 1.788 122.289 120.500 0.002 0.000 2.449 64 R HA 0.205 4.545 4.340 0.000 0.000 0.296 64 R C -0.654 175.504 176.300 -0.238 0.000 1.047 64 R CA -0.554 55.315 56.100 -0.385 0.000 1.018 64 R CB 0.071 30.221 30.300 -0.250 0.000 0.962 64 R HN 0.689 nan 8.270 nan 0.000 0.428 65 L N 5.052 126.111 121.223 -0.273 0.000 2.456 65 L HA 0.112 4.452 4.340 0.000 0.000 0.277 65 L C -0.626 176.173 176.870 -0.120 0.000 1.124 65 L CA 1.000 55.755 54.840 -0.141 0.000 0.880 65 L CB 1.033 43.027 42.059 -0.108 0.000 1.192 65 L HN 0.593 nan 8.230 nan 0.000 0.463 66 T N 4.158 118.663 114.554 -0.082 0.000 2.910 66 T HA 0.308 4.658 4.350 0.000 0.000 0.323 66 T C -0.306 174.430 174.700 0.060 0.000 1.091 66 T CA -0.683 61.389 62.100 -0.046 0.000 0.960 66 T CB -0.010 68.800 68.868 -0.096 0.000 1.024 66 T HN 0.642 nan 8.240 nan 0.000 0.509 67 D N 1.750 122.188 120.400 0.064 0.000 2.466 67 D HA 0.273 4.913 4.640 0.000 0.000 0.262 67 D C 1.332 177.683 176.300 0.085 0.000 1.177 67 D CA -1.065 53.023 54.000 0.147 0.000 1.035 67 D CB 0.934 41.784 40.800 0.083 0.000 1.105 67 D HN 0.129 nan 8.370 nan 0.000 0.551 68 R N -0.492 120.029 120.500 0.036 0.000 2.112 68 R HA -0.182 4.158 4.340 0.000 0.000 0.242 68 R C 2.083 178.316 176.300 -0.112 0.000 1.137 68 R CA 1.732 57.735 56.100 -0.162 0.000 0.944 68 R CB -0.384 29.823 30.300 -0.154 0.000 0.857 68 R HN 0.494 nan 8.270 nan 0.000 0.435 69 K N 0.615 120.975 120.400 -0.067 0.000 2.063 69 K HA -0.140 4.180 4.320 0.000 0.000 0.208 69 K C 1.771 178.322 176.600 -0.083 0.000 1.048 69 K CA 2.064 58.293 56.287 -0.097 0.000 0.928 69 K CB -0.254 32.178 32.500 -0.113 0.000 0.713 69 K HN 0.125 nan 8.250 nan 0.000 0.442 70 T N 2.267 116.799 114.554 -0.037 0.000 2.788 70 T HA -0.146 4.204 4.350 0.000 0.000 0.268 70 T C 1.752 176.465 174.700 0.022 0.000 1.044 70 T CA 1.191 63.290 62.100 -0.001 0.000 1.139 70 T CB -0.187 68.681 68.868 -0.001 0.000 0.867 70 T HN 0.162 nan 8.240 nan 0.000 0.454 71 L N 1.464 122.663 121.223 -0.041 0.000 2.083 71 L HA -0.031 4.309 4.340 0.000 0.000 0.209 71 L C 2.229 179.105 176.870 0.011 0.000 1.083 71 L CA 1.712 56.507 54.840 -0.074 0.000 0.752 71 L CB -0.601 41.346 42.059 -0.187 0.000 0.899 71 L HN 0.283 nan 8.230 nan 0.000 0.433 72 E N -0.508 119.677 120.200 -0.025 0.000 2.072 72 E HA -0.208 4.142 4.350 0.000 0.000 0.191 72 E C 2.266 178.889 176.600 0.038 0.000 0.985 72 E CA 1.581 57.975 56.400 -0.011 0.000 0.801 72 E CB -0.196 29.471 29.700 -0.056 0.000 0.750 72 E HN 0.555 nan 8.360 nan 0.000 0.452 73 I N 0.525 121.120 120.570 0.041 0.000 2.315 73 I HA -0.224 3.946 4.170 0.000 0.000 0.248 73 I C 2.319 178.524 176.117 0.145 0.000 1.117 73 I CA 0.809 62.147 61.300 0.064 0.000 1.404 73 I CB -0.228 37.800 38.000 0.046 0.000 1.071 73 I HN 0.052 nan 8.210 nan 0.000 0.419 74 F N 2.091 122.054 119.950 0.022 0.000 2.095 74 F HA -0.261 4.266 4.527 0.000 0.000 0.298 74 F C 2.465 178.316 175.800 0.086 0.000 1.104 74 F CA 1.898 59.926 58.000 0.047 0.000 1.232 74 F CB -0.096 38.843 39.000 -0.101 0.000 0.987 74 F HN 0.028 nan 8.300 nan 0.000 0.475 75 E N 0.005 120.400 120.200 0.324 0.000 2.072 75 E HA -0.251 4.099 4.350 0.000 0.000 0.191 75 E C 2.287 178.961 176.600 0.124 0.000 0.985 75 E CA 1.643 58.174 56.400 0.218 0.000 0.801 75 E CB -0.272 29.511 29.700 0.138 0.000 0.750 75 E HN 0.493 nan 8.360 nan 0.000 0.452 76 M N 0.374 120.026 119.600 0.086 0.000 2.082 76 M HA -0.212 4.268 4.480 0.000 0.000 0.258 76 M C 2.375 178.696 176.300 0.035 0.000 1.069 76 M CA 1.445 56.772 55.300 0.046 0.000 1.102 76 M CB -0.212 32.405 32.600 0.028 0.000 1.336 76 M HN 0.037 nan 8.290 nan 0.000 0.404 77 V N -1.511 118.430 119.914 0.044 0.000 2.302 77 V HA -0.221 3.900 4.120 0.000 0.000 0.243 77 V C 1.954 178.038 176.094 -0.018 0.000 1.036 77 V CA 1.586 63.883 62.300 -0.005 0.000 1.020 77 V CB -0.814 31.000 31.823 -0.015 0.000 0.657 77 V HN 0.288 nan 8.190 nan 0.000 0.453 78 Y N 0.123 120.312 120.300 -0.183 0.000 2.133 78 Y HA -0.201 4.349 4.550 0.000 0.000 0.287 78 Y C 2.712 178.647 175.900 0.059 0.000 1.134 78 Y CA 2.032 60.063 58.100 -0.114 0.000 1.133 78 Y CB -0.898 37.356 38.460 -0.343 0.000 0.987 78 Y HN 0.233 nan 8.280 nan 0.000 0.502 79 C N -1.092 118.339 119.300 0.217 0.000 2.464 79 C HA 0.129 4.589 4.460 0.000 0.000 0.278 79 C C 2.673 177.710 174.990 0.078 0.000 1.375 79 C CA 0.805 59.917 59.018 0.157 0.000 1.761 79 C CB -1.295 26.524 27.740 0.132 0.000 1.944 79 C HN 0.711 nan 8.230 nan 0.000 0.509 80 G N 0.154 108.980 108.800 0.043 0.000 2.688 80 G HA2 0.114 4.074 3.960 0.000 0.000 0.214 80 G HA3 0.114 4.074 3.960 0.000 0.000 0.214 80 G C 1.324 176.196 174.900 -0.047 0.000 1.211 80 G CA 0.356 45.455 45.100 -0.002 0.000 0.853 80 G HN 0.312 nan 8.290 nan 0.000 0.591 81 L N 0.968 122.152 121.223 -0.065 0.000 1.955 81 L HA -0.050 4.291 4.340 0.000 0.000 0.213 81 L C 2.936 179.681 176.870 -0.208 0.000 1.072 81 L CA 1.910 56.678 54.840 -0.120 0.000 0.755 81 L CB -0.625 41.366 42.059 -0.113 0.000 0.888 81 L HN 0.091 nan 8.230 nan 0.000 0.432 82 V N 0.120 119.881 119.914 -0.255 0.000 2.307 82 V HA -0.262 3.858 4.120 0.000 0.000 0.245 82 V C 2.452 178.232 176.094 -0.524 0.000 1.045 82 V CA 2.002 64.028 62.300 -0.457 0.000 1.024 82 V CB -1.073 30.473 31.823 -0.463 0.000 0.651 82 V HN 0.625 nan 8.190 nan 0.000 0.449 83 N N 0.481 119.006 118.700 -0.293 0.000 2.069 83 N HA -0.213 4.527 4.740 0.000 0.000 0.191 83 N C 1.801 177.224 175.510 -0.145 0.000 1.031 83 N CA 1.357 54.320 53.050 -0.146 0.000 0.852 83 N CB 0.031 38.617 38.487 0.165 0.000 1.018 83 N HN 0.299 nan 8.380 nan 0.000 0.423 84 K N 1.310 121.638 120.400 -0.120 0.000 2.217 84 K HA -0.083 4.237 4.320 0.000 0.000 0.202 84 K C 1.976 178.491 176.600 -0.142 0.000 1.051 84 K CA 0.435 56.660 56.287 -0.105 0.000 0.952 84 K CB -0.420 32.034 32.500 -0.076 0.000 0.736 84 K HN 0.350 nan 8.250 nan 0.000 0.453 85 R N 0.764 121.136 120.500 -0.212 0.000 2.066 85 R HA -0.095 4.245 4.340 0.000 0.000 0.232 85 R C 2.101 178.269 176.300 -0.221 0.000 1.131 85 R CA 1.055 57.012 56.100 -0.237 0.000 0.955 85 R CB -0.283 29.798 30.300 -0.364 0.000 0.851 85 R HN 0.062 nan 8.270 nan 0.000 0.432 86 L N 0.842 121.902 121.223 -0.271 0.000 2.056 86 L HA -0.087 4.253 4.340 0.000 0.000 0.207 86 L C 2.201 179.008 176.870 -0.106 0.000 1.078 86 L CA 1.363 56.100 54.840 -0.171 0.000 0.749 86 L CB -0.413 41.533 42.059 -0.189 0.000 0.901 86 L HN 0.021 nan 8.230 nan 0.000 0.433 87 V N -0.163 119.688 119.914 -0.106 0.000 2.343 87 V HA -0.312 3.808 4.120 0.000 0.000 0.247 87 V C 2.589 178.636 176.094 -0.078 0.000 1.051 87 V CA 2.020 64.271 62.300 -0.081 0.000 1.036 87 V CB -0.611 31.173 31.823 -0.065 0.000 0.654 87 V HN 0.607 nan 8.190 nan 0.000 0.451 88 E N -0.023 120.130 120.200 -0.079 0.000 2.077 88 E HA -0.207 4.143 4.350 0.000 0.000 0.193 88 E C 2.277 178.843 176.600 -0.056 0.000 0.989 88 E CA 1.301 57.663 56.400 -0.064 0.000 0.800 88 E CB -0.136 29.525 29.700 -0.065 0.000 0.746 88 E HN 0.563 nan 8.360 nan 0.000 0.452 89 L N 0.590 121.777 121.223 -0.060 0.000 2.042 89 L HA -0.222 4.118 4.340 0.000 0.000 0.210 89 L C 2.621 179.469 176.870 -0.038 0.000 1.076 89 L CA 0.938 55.755 54.840 -0.039 0.000 0.749 89 L CB -0.327 41.717 42.059 -0.025 0.000 0.893 89 L HN 0.271 nan 8.230 nan 0.000 0.432 90 L N -1.150 120.039 121.223 -0.057 0.000 2.056 90 L HA -0.203 4.137 4.340 0.000 0.000 0.207 90 L C 2.831 179.651 176.870 -0.084 0.000 1.078 90 L CA 0.971 55.764 54.840 -0.080 0.000 0.749 90 L CB -0.537 41.447 42.059 -0.126 0.000 0.901 90 L HN 0.303 nan 8.230 nan 0.000 0.433 91 Q N 0.406 120.159 119.800 -0.077 0.000 2.096 91 Q HA -0.221 4.119 4.340 0.000 0.000 0.204 91 Q C 2.186 178.168 176.000 -0.030 0.000 0.982 91 Q CA 1.482 57.250 55.803 -0.058 0.000 0.850 91 Q CB -0.217 28.495 28.738 -0.044 0.000 0.901 91 Q HN 0.507 nan 8.270 nan 0.000 0.422 92 K N 0.498 120.883 120.400 -0.026 0.000 2.147 92 K HA -0.114 4.206 4.320 0.000 0.000 0.205 92 K C 1.586 178.185 176.600 -0.002 0.000 1.049 92 K CA 0.737 57.017 56.287 -0.012 0.000 0.936 92 K CB 0.152 32.645 32.500 -0.013 0.000 0.722 92 K HN 0.103 nan 8.250 nan 0.000 0.446 93 E N -0.480 119.717 120.200 -0.004 0.000 2.502 93 E HA 0.002 4.352 4.350 0.000 0.000 0.194 93 E C 0.941 177.561 176.600 0.034 0.000 1.062 93 E CA 0.511 56.919 56.400 0.014 0.000 0.867 93 E CB 0.667 30.374 29.700 0.012 0.000 0.888 93 E HN 0.502 nan 8.360 nan 0.000 0.510 94 G N 0.837 109.653 108.800 0.026 0.000 2.141 94 G HA2 -0.253 3.707 3.960 0.000 0.000 0.231 94 G HA3 -0.253 3.707 3.960 0.000 0.000 0.231 94 G C 0.328 175.287 174.900 0.098 0.000 0.984 94 G CA 0.167 45.305 45.100 0.064 0.000 0.660 94 G HN 0.469 nan 8.290 nan 0.000 0.525 95 A N -0.117 122.678 122.820 -0.042 0.000 2.288 95 A HA 0.703 5.023 4.320 0.000 0.000 0.320 95 A C 0.315 177.591 177.584 -0.513 0.000 1.217 95 A CA -0.420 51.396 52.037 -0.368 0.000 0.840 95 A CB 0.701 19.448 19.000 -0.421 0.000 1.179 95 A HN 0.319 nan 8.150 nan 0.000 0.504 96 N N 2.243 120.506 118.700 -0.728 0.000 2.971 96 N HA 0.298 5.038 4.740 0.000 0.000 0.294 96 N C 0.157 175.498 175.510 -0.280 0.000 1.210 96 N CA 0.259 53.121 53.050 -0.313 0.000 1.157 96 N CB 0.037 38.467 38.487 -0.094 0.000 1.450 96 N HN 0.724 nan 8.380 nan 0.000 0.527 97 A N 2.578 125.240 122.820 -0.263 0.000 2.425 97 A HA 0.409 4.729 4.320 0.000 0.000 0.249 97 A C 0.198 177.746 177.584 -0.061 0.000 1.084 97 A CA -0.403 51.524 52.037 -0.184 0.000 0.781 97 A CB 0.310 19.206 19.000 -0.174 0.000 1.019 97 A HN 0.668 nan 8.150 nan 0.000 0.490 98 I N 1.932 122.474 120.570 -0.047 0.000 2.478 98 I HA 0.589 4.759 4.170 0.000 0.000 0.287 98 I C 0.344 176.434 176.117 -0.045 0.000 1.042 98 I CA -0.446 60.815 61.300 -0.065 0.000 1.067 98 I CB 1.455 39.373 38.000 -0.136 0.000 1.233 98 I HN 0.685 nan 8.210 nan 0.000 0.431 99 G N 7.993 116.773 108.800 -0.033 0.000 2.338 99 G HA2 0.655 4.615 3.960 0.000 0.000 0.298 99 G HA3 0.655 4.615 3.960 0.000 0.000 0.298 99 G C -1.170 173.727 174.900 -0.004 0.000 1.140 99 G CA -0.440 44.664 45.100 0.007 0.000 0.860 99 G HN 0.552 nan 8.290 nan 0.000 0.470 100 L N 1.317 122.545 121.223 0.008 0.000 2.434 100 L HA 0.547 4.887 4.340 0.000 0.000 0.260 100 L C 0.345 177.214 176.870 -0.001 0.000 0.983 100 L CA -0.986 53.838 54.840 -0.027 0.000 0.820 100 L CB 2.567 44.573 42.059 -0.089 0.000 1.361 100 L HN 0.697 nan 8.230 nan 0.000 0.410 101 S N -0.133 115.564 115.700 -0.005 0.000 2.745 101 S HA 0.477 4.948 4.470 0.000 0.000 0.292 101 S C 1.007 175.586 174.600 -0.036 0.000 1.133 101 S CA -0.005 58.224 58.200 0.048 0.000 0.998 101 S CB 1.605 64.850 63.200 0.074 0.000 1.087 101 S HN 0.788 nan 8.310 nan 0.000 0.551 102 G N 0.012 108.868 108.800 0.092 0.000 2.498 102 G HA2 -0.022 3.938 3.960 0.000 0.000 0.219 102 G HA3 -0.022 3.938 3.960 0.000 0.000 0.219 102 G C 1.108 175.981 174.900 -0.046 0.000 1.119 102 G CA 0.544 45.660 45.100 0.027 0.000 0.766 102 G HN 0.648 nan 8.290 nan 0.000 0.552 103 L N 0.295 121.508 121.223 -0.017 0.000 2.156 103 L HA 0.076 4.416 4.340 0.000 0.000 0.208 103 L C 0.396 177.232 176.870 -0.056 0.000 1.095 103 L CA 0.271 55.093 54.840 -0.030 0.000 0.770 103 L CB -0.393 41.657 42.059 -0.015 0.000 0.914 103 L HN 0.061 nan 8.230 nan 0.000 0.439 104 D N 1.517 121.873 120.400 -0.073 0.000 2.401 104 D HA 0.126 4.766 4.640 0.000 0.000 0.254 104 D C 1.163 177.402 176.300 -0.102 0.000 1.192 104 D CA 1.053 55.005 54.000 -0.080 0.000 0.885 104 D CB 1.068 41.820 40.800 -0.079 0.000 1.147 104 D HN 0.316 nan 8.370 nan 0.000 0.478 105 G N 3.771 112.526 108.800 -0.075 0.000 2.233 105 G HA2 -0.431 3.529 3.960 0.000 0.000 0.270 105 G HA3 -0.431 3.529 3.960 0.000 0.000 0.270 105 G C 0.601 175.456 174.900 -0.075 0.000 1.011 105 G CA 0.467 45.525 45.100 -0.069 0.000 0.762 105 G HN 0.722 nan 8.290 nan 0.000 0.511 106 R N -2.530 117.925 120.500 -0.075 0.000 3.416 106 R HA -0.252 4.088 4.340 0.000 0.000 0.263 106 R C 1.724 177.962 176.300 -0.104 0.000 1.053 106 R CA 0.852 56.913 56.100 -0.067 0.000 0.705 106 R CB -1.830 28.450 30.300 -0.033 0.000 1.124 106 R HN 0.727 nan 8.270 nan 0.000 0.444 107 L N 0.088 121.187 121.223 -0.207 0.000 2.012 107 L HA -0.046 4.294 4.340 0.000 0.000 0.210 107 L C 0.408 177.037 176.870 -0.401 0.000 1.073 107 L CA 2.043 56.641 54.840 -0.405 0.000 0.748 107 L CB 0.031 41.674 42.059 -0.693 0.000 0.891 107 L HN 0.185 nan 8.230 nan 0.000 0.431 108 F N -0.829 119.110 119.950 -0.018 0.000 2.499 108 F HA 0.559 5.086 4.527 0.000 0.000 0.333 108 F C -0.266 175.488 175.800 -0.076 0.000 1.138 108 F CA -1.370 56.611 58.000 -0.031 0.000 0.945 108 F CB 1.230 40.217 39.000 -0.022 0.000 1.181 108 F HN -0.458 nan 8.300 nan 0.000 0.435 109 V N 2.322 122.283 119.914 0.079 0.000 2.604 109 V HA 0.992 5.112 4.120 0.000 0.000 0.305 109 V C 0.081 176.018 176.094 -0.262 0.000 1.043 109 V CA -0.534 61.690 62.300 -0.128 0.000 0.888 109 V CB 1.600 33.332 31.823 -0.152 0.000 0.995 109 V HN 0.945 nan 8.190 nan 0.000 0.429 110 G N 3.139 111.663 108.800 -0.461 0.000 2.706 110 G HA2 0.593 4.553 3.960 0.000 0.000 0.307 110 G HA3 0.593 4.553 3.960 0.000 0.000 0.307 110 G C -1.585 173.033 174.900 -0.470 0.000 1.307 110 G CA -0.911 43.935 45.100 -0.423 0.000 0.790 110 G HN 0.617 nan 8.290 nan 0.000 0.503 111 R N 0.383 120.843 120.500 -0.067 0.000 2.346 111 R HA 0.513 4.853 4.340 0.000 0.000 0.311 111 R C 0.201 176.515 176.300 0.023 0.000 0.983 111 R CA -0.690 55.471 56.100 0.101 0.000 0.880 111 R CB 1.127 31.559 30.300 0.219 0.000 1.100 111 R HN 0.539 nan 8.270 nan 0.000 0.453 112 R N 3.732 124.246 120.500 0.023 0.000 2.438 112 R HA 0.113 4.453 4.340 0.000 0.000 0.287 112 R C -0.284 176.003 176.300 -0.021 0.000 1.077 112 R CA -0.184 55.908 56.100 -0.014 0.000 1.034 112 R CB 0.758 31.047 30.300 -0.018 0.000 0.993 112 R HN 0.588 nan 8.270 nan 0.000 0.459 131 Y N 2.308 122.550 120.300 -0.096 0.000 2.812 131 Y HA 0.441 4.991 4.550 0.000 0.000 0.354 131 Y C 0.374 176.181 175.900 -0.156 0.000 1.276 131 Y CA -0.040 57.990 58.100 -0.116 0.000 1.639 131 Y CB 0.966 39.351 38.460 -0.125 0.000 1.741 131 Y HN 0.079 nan 8.280 nan 0.000 0.479 132 T N -0.322 114.189 114.554 -0.071 0.000 2.903 132 T HA 0.865 5.215 4.350 0.000 0.000 0.299 132 T C 0.110 174.766 174.700 -0.073 0.000 1.093 132 T CA -0.674 61.372 62.100 -0.091 0.000 1.002 132 T CB 2.233 71.048 68.868 -0.089 0.000 1.127 132 T HN 0.572 nan 8.240 nan 0.000 0.488 133 G N 0.683 109.441 108.800 -0.070 0.000 2.427 133 G HA2 0.616 4.576 3.960 0.000 0.000 0.306 133 G HA3 0.616 4.576 3.960 0.000 0.000 0.306 133 G C -0.737 174.135 174.900 -0.046 0.000 1.280 133 G CA -0.131 44.939 45.100 -0.049 0.000 0.837 133 G HN 0.927 nan 8.290 nan 0.000 0.482 134 T N -2.711 111.823 114.554 -0.034 0.000 2.937 134 T HA 0.742 5.092 4.350 0.000 0.000 0.283 134 T C -0.808 173.862 174.700 -0.050 0.000 1.012 134 T CA -0.771 61.311 62.100 -0.030 0.000 0.997 134 T CB 1.819 70.686 68.868 -0.000 0.000 1.136 134 T HN 0.894 nan 8.240 nan 0.000 0.551 135 V N 1.597 121.483 119.914 -0.047 0.000 2.444 135 V HA 0.411 4.531 4.120 0.000 0.000 0.294 135 V C 0.283 176.372 176.094 -0.008 0.000 1.022 135 V CA -0.513 61.756 62.300 -0.051 0.000 0.850 135 V CB 1.293 33.049 31.823 -0.111 0.000 0.992 135 V HN 1.092 nan 8.190 nan 0.000 0.426 136 E N 2.501 122.713 120.200 0.019 0.000 2.453 136 E HA 0.236 4.586 4.350 0.000 0.000 0.211 136 E C -0.191 176.464 176.600 0.091 0.000 0.897 136 E CA 0.017 56.462 56.400 0.074 0.000 1.063 136 E CB 1.300 31.090 29.700 0.150 0.000 1.080 136 E HN 0.729 nan 8.360 nan 0.000 0.512 137 E N 0.918 121.170 120.200 0.088 0.000 2.293 137 E HA 0.464 4.814 4.350 0.000 0.000 0.270 137 E C -1.334 175.353 176.600 0.143 0.000 0.879 137 E CA -0.635 55.828 56.400 0.105 0.000 0.756 137 E CB 3.275 33.042 29.700 0.111 0.000 1.208 137 E HN -0.192 nan 8.360 nan 0.000 0.428 138 V N 2.410 122.411 119.914 0.145 0.000 2.656 138 V HA 0.231 4.351 4.120 0.000 0.000 0.307 138 V C -0.258 175.889 176.094 0.088 0.000 1.051 138 V CA -1.035 61.383 62.300 0.196 0.000 0.893 138 V CB 1.890 33.868 31.823 0.259 0.000 0.999 138 V HN 0.614 nan 8.190 nan 0.000 0.426 139 N N 3.504 122.220 118.700 0.027 0.000 2.819 139 N HA 0.062 4.802 4.740 0.000 0.000 0.284 139 N C 1.046 176.567 175.510 0.019 0.000 1.196 139 N CA 0.212 53.261 53.050 -0.001 0.000 1.114 139 N CB 0.151 38.609 38.487 -0.048 0.000 1.437 139 N HN 0.730 nan 8.380 nan 0.000 0.518 140 K N 1.656 122.076 120.400 0.034 0.000 2.147 140 K HA -0.085 4.235 4.320 0.000 0.000 0.205 140 K C 1.565 178.193 176.600 0.047 0.000 1.049 140 K CA 1.149 57.460 56.287 0.041 0.000 0.936 140 K CB 0.099 32.560 32.500 -0.065 0.000 0.722 140 K HN 0.448 nan 8.250 nan 0.000 0.446 141 A N 1.178 124.012 122.820 0.022 0.000 1.902 141 A HA -0.163 4.157 4.320 0.000 0.000 0.217 141 A C 1.999 179.605 177.584 0.037 0.000 1.181 141 A CA 1.359 53.412 52.037 0.027 0.000 0.623 141 A CB -0.567 18.442 19.000 0.014 0.000 0.818 141 A HN 0.388 nan 8.150 nan 0.000 0.443 142 L N -0.218 121.019 121.223 0.022 0.000 2.046 142 L HA -0.081 4.259 4.340 0.000 0.000 0.208 142 L C 2.242 179.135 176.870 0.038 0.000 1.077 142 L CA 1.662 56.509 54.840 0.011 0.000 0.747 142 L CB -0.519 41.523 42.059 -0.028 0.000 0.896 142 L HN 0.396 nan 8.230 nan 0.000 0.432 143 L N -0.676 120.587 121.223 0.067 0.000 2.046 143 L HA -0.190 4.150 4.340 0.000 0.000 0.208 143 L C 2.249 179.211 176.870 0.154 0.000 1.077 143 L CA 1.285 56.193 54.840 0.114 0.000 0.747 143 L CB -0.855 41.318 42.059 0.190 0.000 0.896 143 L HN 0.282 nan 8.230 nan 0.000 0.432 144 D N 0.022 120.525 120.400 0.172 0.000 2.144 144 D HA -0.170 4.470 4.640 0.000 0.000 0.199 144 D C 2.075 178.449 176.300 0.122 0.000 0.984 144 D CA 0.967 55.066 54.000 0.166 0.000 0.834 144 D CB -0.095 40.786 40.800 0.134 0.000 0.955 144 D HN 0.130 nan 8.370 nan 0.000 0.465 145 L N 0.560 121.841 121.223 0.097 0.000 2.017 145 L HA -0.125 4.215 4.340 0.000 0.000 0.208 145 L C 2.166 179.113 176.870 0.129 0.000 1.073 145 L CA 1.443 56.336 54.840 0.090 0.000 0.745 145 L CB -0.467 41.628 42.059 0.060 0.000 0.894 145 L HN 0.001 nan 8.230 nan 0.000 0.432 146 L N -1.504 119.800 121.223 0.135 0.000 2.056 146 L HA -0.200 4.140 4.340 0.000 0.000 0.207 146 L C 2.499 179.535 176.870 0.276 0.000 1.078 146 L CA 1.059 56.030 54.840 0.219 0.000 0.749 146 L CB -0.574 41.557 42.059 0.121 0.000 0.901 146 L HN 0.279 nan 8.230 nan 0.000 0.433 147 L N -0.431 120.907 121.223 0.191 0.000 2.012 147 L HA -0.268 4.072 4.340 0.000 0.000 0.210 147 L C 2.723 179.678 176.870 0.142 0.000 1.073 147 L CA 1.479 56.423 54.840 0.174 0.000 0.748 147 L CB -0.483 41.655 42.059 0.132 0.000 0.891 147 L HN 0.368 nan 8.230 nan 0.000 0.431 148 Q N -0.061 119.812 119.800 0.121 0.000 2.224 148 Q HA -0.154 4.186 4.340 0.000 0.000 0.203 148 Q C 1.977 178.019 176.000 0.071 0.000 0.970 148 Q CA 1.311 57.163 55.803 0.082 0.000 0.865 148 Q CB 0.017 28.800 28.738 0.075 0.000 0.922 148 Q HN 0.511 nan 8.270 nan 0.000 0.445 149 A N -0.450 122.443 122.820 0.121 0.000 2.238 149 A HA 0.297 4.617 4.320 0.000 0.000 0.208 149 A C 1.310 178.832 177.584 -0.103 0.000 1.177 149 A CA 0.732 52.827 52.037 0.097 0.000 0.804 149 A CB -0.290 18.888 19.000 0.297 0.000 0.823 149 A HN 0.592 nan 8.150 nan 0.000 0.482 150 G N -2.236 106.536 108.800 -0.047 0.000 2.130 150 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 150 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 150 G C -0.264 174.605 174.900 -0.052 0.000 0.999 150 G CA 0.136 45.192 45.100 -0.072 0.000 0.686 150 G HN 0.402 nan 8.290 nan 0.000 0.515 151 Y N -1.397 119.051 120.300 0.247 0.000 2.457 151 Y HA 0.698 5.248 4.550 0.000 0.000 0.333 151 Y C 0.321 176.276 175.900 0.092 0.000 1.119 151 Y CA -1.481 56.695 58.100 0.126 0.000 1.143 151 Y CB 1.708 40.191 38.460 0.039 0.000 1.230 151 Y HN 0.176 nan 8.280 nan 0.000 0.469 152 L N 5.639 126.844 121.223 -0.030 0.000 2.283 152 L HA 0.593 4.933 4.340 0.000 0.000 0.281 152 L C -2.924 173.904 176.870 -0.070 0.000 1.033 152 L CA -2.829 51.907 54.840 -0.174 0.000 0.848 152 L CB 0.614 42.247 42.059 -0.711 0.000 1.226 152 L HN 0.284 nan 8.230 nan 0.000 0.429 153 P HA 0.144 nan 4.420 nan 0.000 0.271 153 P C -1.089 176.218 177.300 0.012 0.000 1.226 153 P CA -0.015 63.090 63.100 0.009 0.000 0.765 153 P CB 0.953 32.668 31.700 0.025 0.000 0.835 154 V N 5.700 125.631 119.914 0.029 0.000 2.304 154 V HA 0.284 4.404 4.120 0.000 0.000 0.278 154 V C 0.165 176.331 176.094 0.120 0.000 1.018 154 V CA -0.365 61.989 62.300 0.090 0.000 0.814 154 V CB 0.512 32.387 31.823 0.086 0.000 1.021 154 V HN 0.365 nan 8.190 nan 0.000 0.440 155 L N 3.589 124.880 121.223 0.114 0.000 2.344 155 L HA 0.903 5.243 4.340 0.000 0.000 0.272 155 L C 0.157 177.020 176.870 -0.012 0.000 1.035 155 L CA -0.252 54.658 54.840 0.116 0.000 0.807 155 L CB 1.984 44.193 42.059 0.249 0.000 1.237 155 L HN 0.595 nan 8.230 nan 0.000 0.442 156 T N 0.894 115.489 114.554 0.069 0.000 2.840 156 T HA 0.481 4.831 4.350 0.000 0.000 0.317 156 T C -2.864 171.959 174.700 0.206 0.000 1.401 156 T CA -1.175 60.907 62.100 -0.029 0.000 1.028 156 T CB 2.283 70.994 68.868 -0.262 0.000 1.317 156 T HN 0.367 nan 8.240 nan 0.000 0.495 157 P HA 0.369 nan 4.420 nan 0.000 0.277 157 P C -2.645 174.825 177.300 0.283 0.000 1.276 157 P CA -1.252 61.982 63.100 0.223 0.000 0.788 157 P CB -0.486 31.320 31.700 0.178 0.000 1.114 158 P HA 0.162 nan 4.420 nan 0.000 0.275 158 P C -0.671 176.679 177.300 0.083 0.000 1.266 158 P CA 0.014 63.130 63.100 0.026 0.000 0.793 158 P CB 0.450 32.086 31.700 -0.107 0.000 1.074 159 A N 0.192 123.028 122.820 0.026 0.000 2.284 159 A HA 0.644 4.964 4.320 0.000 0.000 0.317 159 A C -0.981 176.604 177.584 0.000 0.000 1.120 159 A CA -0.634 51.447 52.037 0.073 0.000 0.900 159 A CB 0.399 19.424 19.000 0.041 0.000 1.319 159 A HN 0.500 nan 8.150 nan 0.000 0.494 160 L N 0.824 122.038 121.223 -0.015 0.000 2.313 160 L HA 0.538 4.878 4.340 0.000 0.000 0.283 160 L C 0.698 177.498 176.870 -0.117 0.000 1.013 160 L CA 0.138 54.947 54.840 -0.051 0.000 0.816 160 L CB 1.459 43.493 42.059 -0.043 0.000 1.236 160 L HN 0.867 nan 8.230 nan 0.000 0.419 161 S N 3.158 118.801 115.700 -0.095 0.000 2.634 161 S HA 0.148 4.618 4.470 0.000 0.000 0.261 161 S C 0.945 175.458 174.600 -0.146 0.000 1.271 161 S CA -0.059 58.058 58.200 -0.139 0.000 0.985 161 S CB 0.219 63.404 63.200 -0.025 0.000 0.968 161 S HN 0.532 nan 8.310 nan 0.000 0.568 162 Y N 0.042 120.353 120.300 0.019 0.000 2.569 162 Y HA 0.082 4.632 4.550 0.000 0.000 0.293 162 Y C 1.904 177.813 175.900 0.014 0.000 1.144 162 Y CA 0.887 58.996 58.100 0.015 0.000 1.321 162 Y CB -0.343 38.124 38.460 0.011 0.000 0.982 162 Y HN 0.621 nan 8.280 nan 0.000 0.558 163 E N -0.258 120.018 120.200 0.128 0.000 2.451 163 E HA 0.094 4.444 4.350 0.000 0.000 0.194 163 E C -0.271 176.361 176.600 0.053 0.000 1.027 163 E CA -0.083 56.369 56.400 0.086 0.000 0.914 163 E CB -0.701 29.045 29.700 0.075 0.000 1.054 163 E HN 0.361 nan 8.360 nan 0.000 0.461 164 N N 0.869 119.590 118.700 0.035 0.000 2.747 164 N HA -0.205 4.536 4.740 0.000 0.000 0.249 164 N C -1.055 174.459 175.510 0.007 0.000 1.107 164 N CA 0.556 53.613 53.050 0.012 0.000 0.707 164 N CB -0.775 37.721 38.487 0.015 0.000 1.054 164 N HN 0.248 nan 8.380 nan 0.000 0.555 165 E N 0.335 120.545 120.200 0.017 0.000 2.166 165 E HA 0.615 4.965 4.350 0.000 0.000 0.275 165 E C -0.053 176.547 176.600 -0.000 0.000 0.941 165 E CA -0.685 55.731 56.400 0.027 0.000 0.784 165 E CB 1.317 31.085 29.700 0.114 0.000 1.115 165 E HN 0.319 nan 8.360 nan 0.000 0.399 166 A N 3.932 126.725 122.820 -0.046 0.000 2.488 166 A HA 0.415 4.735 4.320 0.000 0.000 0.249 166 A C 0.088 177.635 177.584 -0.062 0.000 1.083 166 A CA -0.082 51.915 52.037 -0.068 0.000 0.768 166 A CB -0.426 18.514 19.000 -0.100 0.000 1.017 166 A HN 0.650 nan 8.150 nan 0.000 0.496 167 I N 0.028 120.551 120.570 -0.079 0.000 2.686 167 I HA 0.454 4.624 4.170 0.000 0.000 0.295 167 I C -0.375 175.603 176.117 -0.231 0.000 1.114 167 I CA -1.163 60.081 61.300 -0.094 0.000 1.038 167 I CB 1.952 39.927 38.000 -0.042 0.000 1.238 167 I HN 0.516 nan 8.210 nan 0.000 0.420 168 N N 2.887 121.376 118.700 -0.351 0.000 2.492 168 N HA 0.354 5.094 4.740 0.000 0.000 0.260 168 N C -0.752 174.595 175.510 -0.272 0.000 1.215 168 N CA 0.648 53.358 53.050 -0.567 0.000 0.923 168 N CB 1.122 39.249 38.487 -0.600 0.000 1.092 168 N HN 0.916 nan 8.380 nan 0.000 0.448 169 T N 0.767 115.202 114.554 -0.199 0.000 2.821 169 T HA 0.132 4.482 4.350 0.000 0.000 0.306 169 T C -1.794 172.894 174.700 -0.019 0.000 1.313 169 T CA -0.782 61.265 62.100 -0.089 0.000 1.012 169 T CB 0.747 69.563 68.868 -0.086 0.000 1.298 169 T HN 0.472 nan 8.240 nan 0.000 0.502 170 D N 1.116 121.513 120.400 -0.005 0.000 2.346 170 D HA 0.218 4.858 4.640 0.000 0.000 0.260 170 D C 1.413 177.732 176.300 0.031 0.000 1.252 170 D CA 0.452 54.474 54.000 0.037 0.000 0.895 170 D CB 1.122 41.941 40.800 0.032 0.000 1.097 170 D HN 0.754 nan 8.370 nan 0.000 0.489 171 G N 3.918 112.772 108.800 0.090 0.000 2.432 171 G HA2 -0.270 3.690 3.960 0.000 0.000 0.219 171 G HA3 -0.270 3.690 3.960 0.000 0.000 0.219 171 G C 1.207 176.164 174.900 0.094 0.000 1.135 171 G CA 0.300 45.447 45.100 0.078 0.000 0.767 171 G HN 0.459 nan 8.290 nan 0.000 0.550 172 D N 0.001 120.493 120.400 0.153 0.000 2.144 172 D HA -0.050 4.590 4.640 0.000 0.000 0.199 172 D C 2.645 179.062 176.300 0.195 0.000 0.984 172 D CA 0.669 54.827 54.000 0.263 0.000 0.834 172 D CB -0.014 40.881 40.800 0.159 0.000 0.955 172 D HN 0.154 nan 8.370 nan 0.000 0.465 173 Q N -0.071 119.778 119.800 0.083 0.000 2.172 173 Q HA 0.031 4.371 4.340 0.000 0.000 0.200 173 Q C 2.494 178.480 176.000 -0.023 0.000 0.964 173 Q CA 0.292 56.119 55.803 0.041 0.000 0.855 173 Q CB -0.004 28.740 28.738 0.011 0.000 0.918 173 Q HN 0.421 nan 8.270 nan 0.000 0.444 174 I N 0.582 121.088 120.570 -0.106 0.000 2.179 174 I HA -0.285 3.885 4.170 0.000 0.000 0.242 174 I C 2.272 178.303 176.117 -0.143 0.000 1.088 174 I CA 1.165 62.298 61.300 -0.278 0.000 1.357 174 I CB -0.390 37.296 38.000 -0.522 0.000 1.051 174 I HN 0.072 nan 8.210 nan 0.000 0.409 175 A N 0.640 123.425 122.820 -0.058 0.000 1.908 175 A HA -0.199 4.122 4.320 0.000 0.000 0.218 175 A C 2.515 180.092 177.584 -0.011 0.000 1.181 175 A CA 1.964 53.975 52.037 -0.044 0.000 0.627 175 A CB -0.845 18.098 19.000 -0.096 0.000 0.818 175 A HN 0.460 nan 8.150 nan 0.000 0.445 176 A N -0.588 122.269 122.820 0.060 0.000 1.877 176 A HA -0.018 4.302 4.320 0.000 0.000 0.216 176 A C 2.121 179.741 177.584 0.059 0.000 1.186 176 A CA 1.723 53.811 52.037 0.086 0.000 0.620 176 A CB -0.627 18.455 19.000 0.137 0.000 0.822 176 A HN 0.679 nan 8.150 nan 0.000 0.443 177 L N -0.159 121.088 121.223 0.041 0.000 2.046 177 L HA -0.099 4.241 4.340 0.000 0.000 0.208 177 L C 2.271 179.193 176.870 0.087 0.000 1.077 177 L CA 1.610 56.478 54.840 0.047 0.000 0.747 177 L CB -0.588 41.482 42.059 0.019 0.000 0.896 177 L HN 0.408 nan 8.230 nan 0.000 0.432 178 L N -0.774 120.512 121.223 0.105 0.000 2.046 178 L HA -0.200 4.140 4.340 0.000 0.000 0.208 178 L C 2.665 179.677 176.870 0.237 0.000 1.077 178 L CA 1.248 56.217 54.840 0.215 0.000 0.747 178 L CB -0.914 41.256 42.059 0.185 0.000 0.896 178 L HN 0.379 nan 8.230 nan 0.000 0.432 179 A N 0.152 123.044 122.820 0.119 0.000 1.908 179 A HA -0.245 4.075 4.320 0.000 0.000 0.218 179 A C 2.445 180.096 177.584 0.112 0.000 1.181 179 A CA 2.449 54.543 52.037 0.094 0.000 0.627 179 A CB -1.007 18.007 19.000 0.024 0.000 0.818 179 A HN 0.547 nan 8.150 nan 0.000 0.445 180 T N -1.800 112.807 114.554 0.089 0.000 2.857 180 T HA 0.001 4.351 4.350 0.000 0.000 0.266 180 T C 1.833 176.567 174.700 0.056 0.000 1.048 180 T CA 1.280 63.420 62.100 0.067 0.000 1.139 180 T CB -0.543 68.356 68.868 0.052 0.000 0.874 180 T HN 0.277 nan 8.240 nan 0.000 0.455 181 L N -1.044 120.213 121.223 0.057 0.000 2.131 181 L HA 0.016 4.356 4.340 0.000 0.000 0.210 181 L C 2.193 178.986 176.870 -0.129 0.000 1.092 181 L CA 1.398 56.214 54.840 -0.040 0.000 0.759 181 L CB -0.446 41.574 42.059 -0.065 0.000 0.903 181 L HN 0.266 nan 8.230 nan 0.000 0.435 182 Y N -0.453 119.866 120.300 0.032 0.000 2.462 182 Y HA 0.217 4.767 4.550 0.000 0.000 0.261 182 Y C 1.685 177.597 175.900 0.020 0.000 1.146 182 Y CA 0.293 58.410 58.100 0.028 0.000 1.283 182 Y CB 0.234 38.712 38.460 0.031 0.000 1.090 182 Y HN 0.203 nan 8.280 nan 0.000 0.526 183 G N 1.190 110.070 108.800 0.133 0.000 2.323 183 G HA2 -0.223 3.737 3.960 0.000 0.000 0.292 183 G HA3 -0.223 3.737 3.960 0.000 0.000 0.292 183 G C 0.368 175.321 174.900 0.089 0.000 1.040 183 G CA 0.010 45.161 45.100 0.086 0.000 0.942 183 G HN 0.630 nan 8.290 nan 0.000 0.506 184 A N -0.155 122.725 122.820 0.100 0.000 2.561 184 A HA 0.451 4.772 4.320 0.000 0.000 0.234 184 A C 1.424 179.026 177.584 0.029 0.000 1.055 184 A CA 1.168 53.239 52.037 0.057 0.000 0.756 184 A CB 0.225 19.243 19.000 0.030 0.000 0.986 184 A HN 1.246 nan 8.150 nan 0.000 0.505 185 E N 1.481 121.690 120.200 0.016 0.000 2.358 185 E HA 0.319 4.669 4.350 0.000 0.000 0.195 185 E C 0.402 176.999 176.600 -0.005 0.000 1.010 185 E CA 0.828 57.232 56.400 0.008 0.000 0.856 185 E CB 0.009 29.712 29.700 0.005 0.000 0.795 185 E HN 0.934 nan 8.360 nan 0.000 0.504 186 A N 0.865 123.674 122.820 -0.019 0.000 2.555 186 A HA 0.502 4.822 4.320 0.000 0.000 0.297 186 A C -1.892 175.647 177.584 -0.076 0.000 1.060 186 A CA -0.851 51.161 52.037 -0.040 0.000 0.710 186 A CB 1.647 20.624 19.000 -0.038 0.000 1.282 186 A HN 0.166 nan 8.150 nan 0.000 0.399 187 L N 2.946 124.103 121.223 -0.110 0.000 2.305 187 L HA 0.780 5.120 4.340 0.000 0.000 0.284 187 L C -1.224 175.469 176.870 -0.294 0.000 1.013 187 L CA -0.396 54.320 54.840 -0.207 0.000 0.819 187 L CB 1.598 43.544 42.059 -0.188 0.000 1.227 187 L HN 0.474 nan 8.230 nan 0.000 0.417 188 V N 5.940 125.647 119.914 -0.344 0.000 2.417 188 V HA 0.416 4.536 4.120 0.000 0.000 0.291 188 V C -0.995 174.846 176.094 -0.422 0.000 1.024 188 V CA -0.469 61.650 62.300 -0.303 0.000 0.861 188 V CB 1.371 33.100 31.823 -0.156 0.000 0.985 188 V HN 0.576 nan 8.190 nan 0.000 0.436 189 Y N 4.984 125.156 120.300 -0.213 0.000 2.334 189 Y HA 0.610 5.160 4.550 0.000 0.000 0.336 189 Y C -0.004 175.892 175.900 -0.007 0.000 0.960 189 Y CA -0.544 57.489 58.100 -0.111 0.000 1.164 189 Y CB 1.481 39.844 38.460 -0.162 0.000 1.155 189 Y HN 0.430 nan 8.280 nan 0.000 0.478 190 L N 3.043 124.345 121.223 0.131 0.000 2.307 190 L HA 0.645 4.985 4.340 0.000 0.000 0.284 190 L C 0.152 177.076 176.870 0.090 0.000 1.023 190 L CA -0.342 54.548 54.840 0.083 0.000 0.810 190 L CB 1.717 43.780 42.059 0.007 0.000 1.231 190 L HN 0.583 nan 8.230 nan 0.000 0.423 191 S N 0.655 116.403 115.700 0.080 0.000 2.911 191 S HA 0.330 4.800 4.470 0.000 0.000 0.319 191 S C -0.020 174.589 174.600 0.014 0.000 1.154 191 S CA -0.661 57.571 58.200 0.054 0.000 0.857 191 S CB 1.265 64.516 63.200 0.085 0.000 1.279 191 S HN 0.763 nan 8.310 nan 0.000 0.593 192 N N 1.048 119.751 118.700 0.005 0.000 2.375 192 N HA 0.138 4.878 4.740 0.000 0.000 0.220 192 N C -0.208 175.302 175.510 -0.000 0.000 1.170 192 N CA 0.039 53.084 53.050 -0.008 0.000 0.833 192 N CB -0.482 37.997 38.487 -0.013 0.000 1.069 192 N HN 0.469 nan 8.380 nan 0.000 0.479 193 V N -5.234 114.687 119.914 0.013 0.000 3.087 193 V HA 0.530 4.651 4.120 0.000 0.000 0.306 193 V C -2.200 173.912 176.094 0.029 0.000 1.187 193 V CA -1.757 60.551 62.300 0.013 0.000 0.999 193 V CB 2.070 33.896 31.823 0.005 0.000 1.049 193 V HN -0.250 nan 8.190 nan 0.000 0.431 194 P HA 0.114 nan 4.420 nan 0.000 0.226 194 P C 0.700 178.037 177.300 0.061 0.000 1.146 194 P CA 2.139 65.261 63.100 0.036 0.000 0.773 194 P CB 0.184 31.898 31.700 0.024 0.000 0.772 195 G N -0.992 107.846 108.800 0.063 0.000 2.398 195 G HA2 0.098 4.058 3.960 0.000 0.000 0.251 195 G HA3 0.098 4.058 3.960 0.000 0.000 0.251 195 G C -1.702 173.206 174.900 0.013 0.000 1.277 195 G CA -0.866 44.292 45.100 0.096 0.000 0.927 195 G HN 0.048 nan 8.290 nan 0.000 0.477 196 L N 1.462 122.660 121.223 -0.041 0.000 2.433 196 L HA 0.406 4.746 4.340 0.000 0.000 0.275 196 L C -0.154 176.672 176.870 -0.074 0.000 1.128 196 L CA -0.026 54.726 54.840 -0.148 0.000 0.875 196 L CB 0.250 42.174 42.059 -0.226 0.000 1.171 196 L HN 0.243 nan 8.230 nan 0.000 0.463 197 L N 4.038 125.217 121.223 -0.073 0.000 2.280 197 L HA 0.536 4.876 4.340 0.000 0.000 0.287 197 L C 0.681 177.519 176.870 -0.054 0.000 1.023 197 L CA -0.406 54.406 54.840 -0.047 0.000 0.819 197 L CB 1.511 43.549 42.059 -0.035 0.000 1.212 197 L HN 0.684 nan 8.230 nan 0.000 0.420 206 L N 3.310 124.532 121.223 -0.003 0.000 2.490 206 L HA 0.564 4.904 4.340 0.000 0.000 0.274 206 L C -0.198 176.677 176.870 0.009 0.000 1.201 206 L CA 0.084 54.925 54.840 0.002 0.000 0.869 206 L CB 1.131 43.197 42.059 0.011 0.000 1.123 206 L HN 0.169 nan 8.230 nan 0.000 0.484 207 V N 6.433 126.354 119.914 0.011 0.000 2.394 207 V HA 0.531 4.651 4.120 0.000 0.000 0.282 207 V C 1.298 177.416 176.094 0.039 0.000 1.031 207 V CA 0.263 62.577 62.300 0.023 0.000 0.881 207 V CB 0.729 32.566 31.823 0.022 0.000 0.982 207 V HN 0.976 nan 8.190 nan 0.000 0.451 208 R N 3.961 124.484 120.500 0.039 0.000 2.055 208 R HA 0.180 4.520 4.340 0.000 0.000 0.226 208 R C 0.836 177.169 176.300 0.056 0.000 1.135 208 R CA 1.193 57.320 56.100 0.045 0.000 0.959 208 R CB -0.301 30.018 30.300 0.033 0.000 0.854 208 R HN 0.806 nan 8.270 nan 0.000 0.431 209 E N -1.624 118.605 120.200 0.048 0.000 2.393 209 E HA 0.695 5.045 4.350 0.000 0.000 0.273 209 E C -1.479 175.146 176.600 0.041 0.000 0.918 209 E CA -0.722 55.707 56.400 0.049 0.000 0.773 209 E CB 2.739 32.458 29.700 0.032 0.000 1.275 209 E HN 0.289 nan 8.360 nan 0.000 0.451 210 I N 2.571 123.165 120.570 0.039 0.000 2.560 210 I HA 0.234 4.404 4.170 0.000 0.000 0.283 210 I C -2.502 173.603 176.117 -0.020 0.000 1.115 210 I CA -2.126 59.176 61.300 0.002 0.000 1.066 210 I CB 1.947 39.972 38.000 0.042 0.000 1.221 210 I HN 0.200 nan 8.210 nan 0.000 0.450 211 P HA 0.029 nan 4.420 nan 0.000 0.265 211 P C 1.164 178.429 177.300 -0.058 0.000 1.193 211 P CA -0.023 63.048 63.100 -0.048 0.000 0.765 211 P CB 1.513 33.177 31.700 -0.060 0.000 0.823 212 V N 2.686 122.587 119.914 -0.021 0.000 2.278 212 V HA -0.352 3.769 4.120 0.000 0.000 0.251 212 V C 3.060 179.137 176.094 -0.029 0.000 1.062 212 V CA 3.008 65.303 62.300 -0.008 0.000 1.038 212 V CB -2.126 29.702 31.823 0.008 0.000 0.646 212 V HN 0.694 nan 8.190 nan 0.000 0.447 213 E N 0.172 120.347 120.200 -0.041 0.000 2.086 213 E HA -0.356 3.994 4.350 0.000 0.000 0.200 213 E C 2.267 178.819 176.600 -0.079 0.000 1.012 213 E CA 2.238 58.610 56.400 -0.046 0.000 0.812 213 E CB -0.632 29.041 29.700 -0.044 0.000 0.743 213 E HN 0.686 nan 8.360 nan 0.000 0.453 214 R N -0.859 119.543 120.500 -0.162 0.000 2.057 214 R HA 0.015 4.355 4.340 0.000 0.000 0.229 214 R C 2.408 178.516 176.300 -0.321 0.000 1.136 214 R CA 1.129 57.031 56.100 -0.329 0.000 0.952 214 R CB -0.297 29.665 30.300 -0.563 0.000 0.848 214 R HN 0.383 nan 8.270 nan 0.000 0.430 215 I N 2.066 122.503 120.570 -0.222 0.000 2.399 215 I HA -0.239 3.931 4.170 0.000 0.000 0.254 215 I C 1.420 177.595 176.117 0.098 0.000 1.146 215 I CA 1.643 62.958 61.300 0.024 0.000 1.412 215 I CB -0.593 37.447 38.000 0.066 0.000 1.076 215 I HN 0.324 nan 8.210 nan 0.000 0.432 216 E N -0.443 119.781 120.200 0.040 0.000 2.230 216 E HA -0.120 4.230 4.350 0.000 0.000 0.192 216 E C 0.654 177.292 176.600 0.064 0.000 0.987 216 E CA -0.026 56.406 56.400 0.053 0.000 0.841 216 E CB 0.040 29.758 29.700 0.030 0.000 0.783 216 E HN 0.332 nan 8.360 nan 0.000 0.481 217 D N 1.258 121.695 120.400 0.062 0.000 2.401 217 D HA -0.034 4.606 4.640 0.000 0.000 0.254 217 D C -1.442 174.931 176.300 0.122 0.000 1.192 217 D CA -1.790 52.257 54.000 0.078 0.000 0.885 217 D CB 1.174 42.013 40.800 0.066 0.000 1.147 217 D HN -0.051 nan 8.370 nan 0.000 0.478 218 P HA -0.119 nan 4.420 nan 0.000 0.223 218 P C 0.713 178.050 177.300 0.063 0.000 1.151 218 P CA 0.724 63.863 63.100 0.065 0.000 0.787 218 P CB 0.594 32.319 31.700 0.042 0.000 0.788 219 E N -0.476 119.770 120.200 0.076 0.000 2.072 219 E HA -0.178 4.172 4.350 0.000 0.000 0.191 219 E C 2.124 178.776 176.600 0.087 0.000 0.985 219 E CA 0.956 57.396 56.400 0.066 0.000 0.801 219 E CB -1.271 28.468 29.700 0.066 0.000 0.750 219 E HN 0.350 nan 8.360 nan 0.000 0.452 220 Y N 1.890 122.190 120.300 -0.000 0.000 2.070 220 Y HA -0.188 4.362 4.550 0.000 0.000 0.280 220 Y C 2.261 178.156 175.900 -0.007 0.000 1.148 220 Y CA 1.584 59.682 58.100 -0.003 0.000 1.125 220 Y CB -0.596 37.864 38.460 0.001 0.000 0.975 220 Y HN -0.085 nan 8.280 nan 0.000 0.492 221 L N 0.137 121.338 121.223 -0.037 0.000 2.129 221 L HA -0.259 4.081 4.340 0.000 0.000 0.212 221 L C 2.653 179.438 176.870 -0.143 0.000 1.087 221 L CA 1.187 55.944 54.840 -0.138 0.000 0.757 221 L CB -1.022 41.043 42.059 0.010 0.000 0.896 221 L HN 0.396 nan 8.230 nan 0.000 0.434 222 A N -0.388 122.382 122.820 -0.082 0.000 2.172 222 A HA -0.032 4.288 4.320 0.000 0.000 0.216 222 A C 2.117 179.646 177.584 -0.092 0.000 1.154 222 A CA 1.019 53.016 52.037 -0.066 0.000 0.701 222 A CB -0.383 18.600 19.000 -0.028 0.000 0.789 222 A HN 0.439 nan 8.150 nan 0.000 0.465 223 L N -1.163 119.973 121.223 -0.146 0.000 2.554 223 L HA 0.235 4.575 4.340 0.000 0.000 0.225 223 L C 1.353 178.114 176.870 -0.181 0.000 1.104 223 L CA -0.025 54.730 54.840 -0.143 0.000 0.866 223 L CB -0.203 41.775 42.059 -0.134 0.000 1.047 223 L HN 0.355 nan 8.230 nan 0.000 0.468 224 A N 0.839 123.514 122.820 -0.242 0.000 2.351 224 A HA 0.310 4.630 4.320 0.000 0.000 0.257 224 A C 0.232 177.732 177.584 -0.141 0.000 1.087 224 A CA -0.408 51.494 52.037 -0.225 0.000 0.798 224 A CB 0.204 19.037 19.000 -0.279 0.000 1.033 224 A HN 0.387 nan 8.150 nan 0.000 0.488 225 Q N 1.130 120.858 119.800 -0.120 0.000 2.454 225 Q HA 0.347 4.687 4.340 0.000 0.000 0.247 225 Q C 1.061 177.010 176.000 -0.086 0.000 1.028 225 Q CA -0.077 55.673 55.803 -0.089 0.000 0.910 225 Q CB 0.255 28.946 28.738 -0.079 0.000 1.276 225 Q HN 0.714 nan 8.270 nan 0.000 0.489 226 G N 1.370 110.129 108.800 -0.068 0.000 2.440 226 G HA2 -0.368 3.592 3.960 0.000 0.000 0.218 226 G HA3 -0.368 3.592 3.960 0.000 0.000 0.218 226 G C 1.461 176.320 174.900 -0.067 0.000 1.154 226 G CA 1.030 46.094 45.100 -0.060 0.000 0.767 226 G HN 0.793 nan 8.290 nan 0.000 0.552 227 R N -0.190 120.268 120.500 -0.070 0.000 2.112 227 R HA -0.118 4.222 4.340 0.000 0.000 0.242 227 R C 2.551 178.790 176.300 -0.102 0.000 1.137 227 R CA 2.101 58.155 56.100 -0.077 0.000 0.944 227 R CB -0.369 29.887 30.300 -0.074 0.000 0.857 227 R HN 0.298 nan 8.270 nan 0.000 0.435 228 M N 0.227 119.757 119.600 -0.117 0.000 2.200 228 M HA -0.030 4.450 4.480 0.000 0.000 0.265 228 M C 2.194 178.406 176.300 -0.146 0.000 1.066 228 M CA 1.516 56.724 55.300 -0.153 0.000 1.127 228 M CB -0.787 31.722 32.600 -0.152 0.000 1.379 228 M HN 0.211 nan 8.290 nan 0.000 0.420 229 K N 0.355 120.685 120.400 -0.116 0.000 2.097 229 K HA -0.121 4.199 4.320 0.000 0.000 0.206 229 K C 2.149 178.705 176.600 -0.074 0.000 1.049 229 K CA 1.195 57.427 56.287 -0.092 0.000 0.933 229 K CB 0.146 32.598 32.500 -0.079 0.000 0.717 229 K HN 0.220 nan 8.250 nan 0.000 0.442 230 R N 0.240 120.697 120.500 -0.072 0.000 2.073 230 R HA -0.094 4.246 4.340 0.000 0.000 0.229 230 R C 2.330 178.586 176.300 -0.073 0.000 1.120 230 R CA 1.396 57.463 56.100 -0.054 0.000 0.967 230 R CB -0.122 30.154 30.300 -0.041 0.000 0.862 230 R HN 0.113 nan 8.270 nan 0.000 0.436 231 K N 1.115 121.442 120.400 -0.121 0.000 2.217 231 K HA -0.069 4.251 4.320 0.000 0.000 0.202 231 K C 1.719 178.184 176.600 -0.225 0.000 1.051 231 K CA 1.141 57.324 56.287 -0.174 0.000 0.952 231 K CB 0.299 32.653 32.500 -0.243 0.000 0.736 231 K HN 0.183 nan 8.250 nan 0.000 0.453 232 V N -1.945 117.851 119.914 -0.196 0.000 3.650 232 V HA 0.037 4.157 4.120 0.000 0.000 0.271 232 V C 1.695 177.811 176.094 0.036 0.000 1.281 232 V CA 0.050 62.304 62.300 -0.077 0.000 1.120 232 V CB 0.045 31.815 31.823 -0.090 0.000 0.856 232 V HN 0.087 nan 8.190 nan 0.000 0.443 233 M N 2.185 121.781 119.600 -0.007 0.000 2.144 233 M HA -0.024 4.457 4.480 0.000 0.000 0.260 233 M C 2.228 178.553 176.300 0.041 0.000 1.067 233 M CA 1.999 57.311 55.300 0.020 0.000 1.095 233 M CB -1.888 30.717 32.600 0.007 0.000 1.365 233 M HN 0.538 nan 8.290 nan 0.000 0.406 234 G N -0.374 108.429 108.800 0.005 0.000 2.402 234 G HA2 -0.036 3.924 3.960 0.000 0.000 0.216 234 G HA3 -0.036 3.924 3.960 0.000 0.000 0.216 234 G C 1.665 176.661 174.900 0.160 0.000 1.162 234 G CA 1.110 46.253 45.100 0.072 0.000 0.777 234 G HN 0.556 nan 8.290 nan 0.000 0.539 235 A N 0.091 123.001 122.820 0.150 0.000 1.972 235 A HA 0.116 4.436 4.320 0.000 0.000 0.219 235 A C 2.582 180.265 177.584 0.166 0.000 1.169 235 A CA 1.677 53.849 52.037 0.225 0.000 0.635 235 A CB -0.501 18.712 19.000 0.355 0.000 0.810 235 A HN 0.244 nan 8.150 nan 0.000 0.446 236 V N 0.299 120.296 119.914 0.138 0.000 2.295 236 V HA -0.215 3.906 4.120 0.000 0.000 0.246 236 V C 2.573 178.718 176.094 0.086 0.000 1.049 236 V CA 2.143 64.506 62.300 0.105 0.000 1.024 236 V CB -0.659 31.216 31.823 0.087 0.000 0.648 236 V HN 0.518 nan 8.190 nan 0.000 0.447 237 E N 0.292 120.543 120.200 0.085 0.000 2.072 237 E HA -0.157 4.193 4.350 0.000 0.000 0.191 237 E C 2.347 178.991 176.600 0.073 0.000 0.985 237 E CA 1.468 57.911 56.400 0.072 0.000 0.801 237 E CB -0.578 29.163 29.700 0.069 0.000 0.750 237 E HN 0.570 nan 8.360 nan 0.000 0.452 238 A N 1.483 124.358 122.820 0.092 0.000 1.858 238 A HA -0.170 4.151 4.320 0.000 0.000 0.216 238 A C 2.599 180.221 177.584 0.063 0.000 1.190 238 A CA 2.305 54.390 52.037 0.080 0.000 0.617 238 A CB -1.006 18.051 19.000 0.095 0.000 0.827 238 A HN 0.207 nan 8.150 nan 0.000 0.443 239 V N -1.902 118.053 119.914 0.067 0.000 2.407 239 V HA -0.232 3.888 4.120 0.000 0.000 0.248 239 V C 1.939 178.059 176.094 0.043 0.000 1.055 239 V CA 2.350 64.682 62.300 0.052 0.000 1.049 239 V CB -0.981 30.875 31.823 0.055 0.000 0.662 239 V HN 0.503 nan 8.190 nan 0.000 0.455 240 K N 1.188 121.616 120.400 0.046 0.000 2.362 240 K HA 0.061 4.381 4.320 0.000 0.000 0.200 240 K C 1.982 178.603 176.600 0.035 0.000 1.046 240 K CA 1.118 57.428 56.287 0.038 0.000 0.952 240 K CB -0.384 32.140 32.500 0.040 0.000 0.753 240 K HN 0.652 nan 8.250 nan 0.000 0.466 241 G N -0.395 108.428 108.800 0.039 0.000 3.042 241 G HA2 0.171 4.131 3.960 0.000 0.000 0.212 241 G HA3 0.171 4.131 3.960 0.000 0.000 0.212 241 G C 0.841 175.761 174.900 0.033 0.000 1.166 241 G CA 0.432 45.554 45.100 0.036 0.000 0.767 241 G HN 0.381 nan 8.290 nan 0.000 0.546 242 G N -0.911 107.908 108.800 0.032 0.000 2.278 242 G HA2 -0.241 3.720 3.960 0.000 0.000 0.210 242 G HA3 -0.241 3.720 3.960 0.000 0.000 0.210 242 G C 0.391 175.309 174.900 0.031 0.000 1.000 242 G CA -0.084 45.033 45.100 0.029 0.000 0.635 242 G HN 0.680 nan 8.290 nan 0.000 0.495 243 V N 3.198 123.134 119.914 0.036 0.000 2.539 243 V HA 0.072 4.192 4.120 0.000 0.000 0.300 243 V C 1.786 177.896 176.094 0.026 0.000 1.019 243 V CA 1.036 63.355 62.300 0.032 0.000 1.160 243 V CB 1.048 32.891 31.823 0.033 0.000 0.901 243 V HN 0.344 nan 8.190 nan 0.000 0.481 244 K N 4.114 124.526 120.400 0.020 0.000 2.155 244 K HA 0.019 4.339 4.320 0.000 0.000 0.203 244 K C 0.929 177.538 176.600 0.014 0.000 1.052 244 K CA 0.859 57.156 56.287 0.017 0.000 0.948 244 K CB 0.055 32.563 32.500 0.014 0.000 0.728 244 K HN 0.668 nan 8.250 nan 0.000 0.448 245 R N 0.098 120.603 120.500 0.008 0.000 2.548 245 R HA 0.330 4.670 4.340 0.000 0.000 0.280 245 R C -1.799 174.493 176.300 -0.013 0.000 1.061 245 R CA -0.311 55.791 56.100 0.004 0.000 0.915 245 R CB 1.696 31.996 30.300 -0.000 0.000 1.210 245 R HN -0.219 nan 8.270 nan 0.000 0.442 246 V N 4.532 124.440 119.914 -0.009 0.000 2.604 246 V HA 0.605 4.726 4.120 0.000 0.000 0.305 246 V C -0.753 175.288 176.094 -0.088 0.000 1.043 246 V CA -0.714 61.550 62.300 -0.060 0.000 0.888 246 V CB 2.003 33.817 31.823 -0.015 0.000 0.995 246 V HN 0.540 nan 8.190 nan 0.000 0.429 247 V N 4.402 124.207 119.914 -0.181 0.000 2.709 247 V HA 0.552 4.672 4.120 0.000 0.000 0.308 247 V C -1.150 174.815 176.094 -0.216 0.000 1.062 247 V CA -0.583 61.650 62.300 -0.112 0.000 0.901 247 V CB 2.028 33.832 31.823 -0.032 0.000 1.003 247 V HN 0.683 nan 8.190 nan 0.000 0.425 248 F N 3.119 123.140 119.950 0.118 0.000 2.411 248 F HA 0.843 5.370 4.527 0.000 0.000 0.352 248 F C 0.533 176.376 175.800 0.071 0.000 1.123 248 F CA -0.142 57.930 58.000 0.120 0.000 1.044 248 F CB 1.744 40.790 39.000 0.078 0.000 1.135 248 F HN 0.659 nan 8.300 nan 0.000 0.461 249 A N 1.856 124.793 122.820 0.195 0.000 2.504 249 A HA 0.552 4.872 4.320 0.000 0.000 0.285 249 A C -1.465 176.171 177.584 0.087 0.000 1.261 249 A CA -0.756 51.350 52.037 0.115 0.000 0.741 249 A CB 1.147 20.185 19.000 0.064 0.000 1.327 249 A HN 0.481 nan 8.150 nan 0.000 0.441 250 D N 0.054 120.484 120.400 0.050 0.000 2.312 250 D HA 0.426 5.066 4.640 0.000 0.000 0.252 250 D C 0.809 177.111 176.300 0.003 0.000 1.150 250 D CA 0.696 54.711 54.000 0.026 0.000 0.870 250 D CB 1.344 42.153 40.800 0.016 0.000 1.153 250 D HN 0.606 nan 8.370 nan 0.000 0.457 251 G N 3.088 111.879 108.800 -0.016 0.000 3.434 251 G HA2 0.006 3.966 3.960 0.000 0.000 0.258 251 G HA3 0.006 3.966 3.960 0.000 0.000 0.258 251 G C 1.147 176.000 174.900 -0.079 0.000 1.128 251 G CA -0.213 44.853 45.100 -0.056 0.000 0.792 251 G HN 0.418 nan 8.290 nan 0.000 0.539 252 R N -0.363 120.108 120.500 -0.048 0.000 2.282 252 R HA 0.206 4.546 4.340 0.000 0.000 0.195 252 R C 0.871 177.153 176.300 -0.030 0.000 0.909 252 R CA 0.114 56.188 56.100 -0.045 0.000 1.039 252 R CB 0.632 30.914 30.300 -0.030 0.000 1.015 252 R HN 0.345 nan 8.270 nan 0.000 0.513 253 V N -1.201 118.700 119.914 -0.022 0.000 2.966 253 V HA 0.356 4.476 4.120 0.000 0.000 0.317 253 V C 0.251 176.337 176.094 -0.012 0.000 1.070 253 V CA -1.146 61.146 62.300 -0.013 0.000 1.008 253 V CB 1.851 33.671 31.823 -0.005 0.000 1.070 253 V HN -0.097 nan 8.190 nan 0.000 0.457 254 E N 1.206 121.403 120.200 -0.006 0.000 2.404 254 E HA 0.143 4.493 4.350 0.000 0.000 0.261 254 E C 0.308 176.907 176.600 -0.001 0.000 1.074 254 E CA 0.732 57.130 56.400 -0.003 0.000 0.917 254 E CB 0.241 29.941 29.700 0.000 0.000 0.965 254 E HN 0.943 nan 8.360 nan 0.000 0.433 255 N N 0.837 119.537 118.700 0.001 0.000 2.721 255 N HA -0.180 4.561 4.740 0.000 0.000 0.249 255 N C -1.987 173.523 175.510 -0.000 0.000 1.072 255 N CA 0.398 53.450 53.050 0.003 0.000 0.710 255 N CB -0.632 37.858 38.487 0.005 0.000 0.993 255 N HN 0.409 nan 8.380 nan 0.000 0.547 256 P HA -0.189 nan 4.420 nan 0.000 0.216 256 P C 1.260 178.556 177.300 -0.006 0.000 1.150 256 P CA 1.196 64.291 63.100 -0.008 0.000 0.837 256 P CB 0.206 31.894 31.700 -0.020 0.000 0.786 257 I N -0.467 120.099 120.570 -0.007 0.000 2.277 257 I HA -0.106 4.064 4.170 0.000 0.000 0.243 257 I C 2.943 179.057 176.117 -0.005 0.000 1.094 257 I CA 0.993 62.288 61.300 -0.009 0.000 1.393 257 I CB -0.507 37.490 38.000 -0.006 0.000 1.078 257 I HN -0.190 nan 8.210 nan 0.000 0.417 258 R N 0.757 121.257 120.500 0.001 0.000 2.105 258 R HA -0.142 4.199 4.340 0.000 0.000 0.239 258 R C 2.439 178.740 176.300 0.003 0.000 1.135 258 R CA 1.370 57.472 56.100 0.003 0.000 0.967 258 R CB -0.262 30.042 30.300 0.006 0.000 0.861 258 R HN 0.340 nan 8.270 nan 0.000 0.442 259 R N 0.001 120.503 120.500 0.004 0.000 2.092 259 R HA -0.022 4.319 4.340 0.000 0.000 0.231 259 R C 2.293 178.598 176.300 0.010 0.000 1.119 259 R CA 1.212 57.316 56.100 0.007 0.000 0.970 259 R CB -0.248 30.058 30.300 0.009 0.000 0.864 259 R HN 0.194 nan 8.270 nan 0.000 0.440 260 A N 1.098 123.922 122.820 0.007 0.000 1.930 260 A HA -0.083 4.238 4.320 0.000 0.000 0.217 260 A C 2.055 179.639 177.584 0.001 0.000 1.175 260 A CA 1.039 53.080 52.037 0.007 0.000 0.627 260 A CB -0.408 18.589 19.000 -0.004 0.000 0.815 260 A HN 0.182 nan 8.150 nan 0.000 0.443 261 L N -0.404 120.816 121.223 -0.005 0.000 2.376 261 L HA -0.037 4.303 4.340 0.000 0.000 0.219 261 L C 1.979 178.850 176.870 0.001 0.000 1.133 261 L CA 0.840 55.677 54.840 -0.006 0.000 0.816 261 L CB -0.074 41.981 42.059 -0.008 0.000 0.933 261 L HN 0.256 nan 8.230 nan 0.000 0.449 262 S N -0.787 114.916 115.700 0.005 0.000 2.575 262 S HA 0.226 4.696 4.470 0.000 0.000 0.215 262 S C 1.433 176.040 174.600 0.012 0.000 0.966 262 S CA 0.679 58.884 58.200 0.008 0.000 0.911 262 S CB 0.697 63.901 63.200 0.007 0.000 0.780 262 S HN 0.635 nan 8.310 nan 0.000 0.514 263 G N 1.529 110.338 108.800 0.016 0.000 2.218 263 G HA2 -0.188 3.772 3.960 0.000 0.000 0.216 263 G HA3 -0.188 3.772 3.960 0.000 0.000 0.216 263 G C -0.275 174.644 174.900 0.032 0.000 0.994 263 G CA -0.556 44.558 45.100 0.024 0.000 0.637 263 G HN 0.494 nan 8.290 nan 0.000 0.505 264 E N 1.060 121.277 120.200 0.028 0.000 2.328 264 E HA 0.448 4.798 4.350 0.000 0.000 0.265 264 E C 0.955 177.583 176.600 0.048 0.000 1.057 264 E CA 1.009 57.429 56.400 0.032 0.000 0.916 264 E CB 0.510 30.225 29.700 0.024 0.000 0.993 264 E HN 1.347 nan 8.360 nan 0.000 0.446 265 G N 2.721 111.556 108.800 0.058 0.000 2.297 265 G HA2 -0.161 3.799 3.960 0.000 0.000 0.209 265 G HA3 -0.161 3.799 3.960 0.000 0.000 0.209 265 G C -0.661 174.302 174.900 0.106 0.000 1.267 265 G CA -0.815 44.337 45.100 0.087 0.000 1.127 265 G HN 0.398 nan 8.290 nan 0.000 0.498 266 T N 0.957 115.614 114.554 0.171 0.000 2.743 266 T HA 0.572 4.922 4.350 0.000 0.000 0.292 266 T C 0.059 174.890 174.700 0.220 0.000 0.972 266 T CA -0.234 61.982 62.100 0.194 0.000 0.967 266 T CB 1.497 70.504 68.868 0.233 0.000 0.926 266 T HN 0.849 nan 8.240 nan 0.000 0.459 267 V N 4.534 124.532 119.914 0.140 0.000 2.394 267 V HA 0.443 4.563 4.120 0.000 0.000 0.282 267 V C -0.034 176.126 176.094 0.110 0.000 1.031 267 V CA -0.700 61.664 62.300 0.107 0.000 0.881 267 V CB 1.649 33.510 31.823 0.062 0.000 0.982 267 V HN 0.662 nan 8.190 nan 0.000 0.451 268 V N 6.860 126.840 119.914 0.110 0.000 2.409 268 V HA 0.863 4.983 4.120 0.000 0.000 0.291 268 V C 0.056 176.184 176.094 0.057 0.000 1.020 268 V CA -0.426 61.934 62.300 0.100 0.000 0.848 268 V CB 1.412 33.329 31.823 0.158 0.000 0.990 268 V HN 1.053 nan 8.190 nan 0.000 0.430 269 R N 0.000 120.522 120.500 0.037 0.000 2.786 269 R HA 0.000 4.340 4.340 0.000 0.000 0.208 269 R CA 0.000 56.114 56.100 0.023 0.000 0.921 269 R CB 0.000 30.313 30.300 0.021 0.000 0.687 269 R HN 0.000 nan 8.270 nan 0.000 0.535