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 3kuk_1_B DATA FIRST_RESID 14 DATA SEQUENCE HNDLVQLCNP HIAAMKEDIL YHFSLSTSTH DFPAMFGDVK FVCVGGSPSR DATA SEQUENCE MKAFIKYVAM ELGFAHXXAD YPNICEGTDR YAMFKVGPVL SVSHGMGVPS DATA SEQUENCE IAIMLHELIK LLYHAHCSGV TLIRIGTSGG IGLEPGSVVI TRQAVDPCFK DATA SEQUENCE PEFEQIVLGK REVRNTDLDE QLVQELARCS AELGEFPTVV GNTMCTLDFY DATA SEQUENCE EGQGRLDGAL CSYTEKDKQD YLRAAYAAGI RNIEMEASVF AAMCNACGLR DATA SEQUENCE AAVVCVTLLN RLEGDQISSP HDVLAEYQQR PQRLVGQFIK KRLMQ 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 14 H HA 0.000 nan 4.556 nan 0.000 0.296 14 H C 0.000 175.329 175.328 0.001 0.000 0.993 14 H CA 0.000 56.049 56.048 0.002 0.000 1.023 14 H CB 0.000 29.763 29.762 0.001 0.000 1.292 15 N N 3.611 121.969 118.700 -0.571 0.000 2.408 15 N HA 0.179 4.919 4.740 -0.000 0.000 0.257 15 N C -0.706 174.358 175.510 -0.744 0.000 1.064 15 N CA -0.458 52.296 53.050 -0.493 0.000 0.952 15 N CB 0.813 39.150 38.487 -0.249 0.000 1.093 15 N HN 0.436 nan 8.380 nan 0.000 0.490 16 D N 1.482 121.640 120.400 -0.404 0.000 2.372 16 D HA 0.152 4.792 4.640 -0.000 0.000 0.243 16 D C 0.516 176.757 176.300 -0.099 0.000 1.121 16 D CA -0.246 53.630 54.000 -0.207 0.000 0.898 16 D CB 1.121 41.883 40.800 -0.063 0.000 1.202 16 D HN 0.421 nan 8.370 nan 0.000 0.428 17 L N 1.466 122.687 121.223 -0.004 0.000 2.461 17 L HA 0.028 4.368 4.340 -0.000 0.000 0.272 17 L C 0.122 177.013 176.870 0.035 0.000 1.197 17 L CA -0.465 54.392 54.840 0.028 0.000 0.836 17 L CB 0.829 42.927 42.059 0.065 0.000 1.105 17 L HN 0.078 nan 8.230 nan 0.000 0.477 18 V N 4.014 123.956 119.914 0.047 0.000 2.479 18 V HA 0.028 4.148 4.120 -0.000 0.000 0.281 18 V C 0.333 176.519 176.094 0.154 0.000 1.031 18 V CA -0.348 61.990 62.300 0.063 0.000 1.038 18 V CB 0.754 32.606 31.823 0.049 0.000 0.981 18 V HN 0.647 nan 8.190 nan 0.000 0.478 19 Q N 4.619 124.479 119.800 0.100 0.000 2.226 19 Q HA 0.628 4.968 4.340 -0.000 0.000 0.256 19 Q C -0.426 175.567 176.000 -0.011 0.000 0.962 19 Q CA -0.607 55.259 55.803 0.104 0.000 0.887 19 Q CB 2.576 31.341 28.738 0.045 0.000 1.282 19 Q HN 0.554 nan 8.270 nan 0.000 0.449 20 L N -0.375 120.761 121.223 -0.145 0.000 2.397 20 L HA 0.460 4.800 4.340 -0.000 0.000 0.266 20 L C 0.138 176.922 176.870 -0.144 0.000 1.040 20 L CA -0.707 53.992 54.840 -0.234 0.000 0.800 20 L CB 1.213 42.989 42.059 -0.470 0.000 1.324 20 L HN 0.681 nan 8.230 nan 0.000 0.469 21 C N 0.884 120.112 119.300 -0.121 0.000 2.778 21 C HA 0.315 4.775 4.460 -0.000 0.000 0.252 21 C C 0.013 174.966 174.990 -0.061 0.000 1.693 21 C CA -0.411 58.562 59.018 -0.075 0.000 1.724 21 C CB -1.287 26.422 27.740 -0.051 0.000 3.153 21 C HN 0.638 nan 8.230 nan 0.000 0.493 22 N N 0.983 119.628 118.700 -0.092 0.000 2.571 22 N HA 0.321 5.061 4.740 -0.000 0.000 0.286 22 N C -2.222 173.226 175.510 -0.103 0.000 1.138 22 N CA -1.166 51.853 53.050 -0.051 0.000 0.859 22 N CB 1.807 40.294 38.487 0.000 0.000 1.414 22 N HN -0.117 nan 8.380 nan 0.000 0.529 23 P HA 0.028 nan 4.420 nan 0.000 0.226 23 P C 0.387 177.580 177.300 -0.179 0.000 1.153 23 P CA 1.007 63.996 63.100 -0.184 0.000 0.777 23 P CB 0.228 31.788 31.700 -0.233 0.000 0.794 24 H N -0.991 118.055 119.070 -0.040 0.000 2.423 24 H HA -0.044 4.512 4.556 -0.000 0.000 0.297 24 H C 1.798 177.118 175.328 -0.014 0.000 1.075 24 H CA 0.716 56.751 56.048 -0.022 0.000 1.342 24 H CB -0.379 29.370 29.762 -0.023 0.000 1.395 24 H HN 0.035 nan 8.280 nan 0.000 0.530 25 I N 0.748 121.355 120.570 0.062 0.000 2.286 25 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 25 I C 2.563 178.737 176.117 0.094 0.000 1.115 25 I CA 1.119 62.445 61.300 0.044 0.000 1.392 25 I CB -1.405 36.541 38.000 -0.090 0.000 1.065 25 I HN 0.281 nan 8.210 nan 0.000 0.418 26 A N 0.730 123.587 122.820 0.061 0.000 2.024 26 A HA -0.041 4.279 4.320 -0.000 0.000 0.220 26 A C 2.187 179.836 177.584 0.109 0.000 1.164 26 A CA 1.806 53.919 52.037 0.125 0.000 0.643 26 A CB -0.499 18.557 19.000 0.094 0.000 0.806 26 A HN 0.426 nan 8.150 nan 0.000 0.451 27 A N -1.501 121.370 122.820 0.085 0.000 2.423 27 A HA 0.592 4.912 4.320 -0.000 0.000 0.246 27 A C 0.599 178.232 177.584 0.082 0.000 1.278 27 A CA -0.348 51.735 52.037 0.076 0.000 0.903 27 A CB -0.217 18.819 19.000 0.060 0.000 0.997 27 A HN 0.460 nan 8.150 nan 0.000 0.510 28 M N 0.380 120.036 119.600 0.093 0.000 2.264 28 M HA 0.218 4.698 4.480 -0.000 0.000 0.352 28 M C 1.079 177.423 176.300 0.074 0.000 1.173 28 M CA -0.454 54.895 55.300 0.082 0.000 1.075 28 M CB 1.897 34.549 32.600 0.087 0.000 1.621 28 M HN 0.358 nan 8.290 nan 0.000 0.457 29 K N 0.833 121.269 120.400 0.059 0.000 2.296 29 K HA 0.087 4.407 4.320 -0.000 0.000 0.200 29 K C 0.264 176.895 176.600 0.052 0.000 1.048 29 K CA 0.831 57.150 56.287 0.053 0.000 0.966 29 K CB 0.471 32.998 32.500 0.045 0.000 0.754 29 K HN 0.635 nan 8.250 nan 0.000 0.466 30 E N 0.651 120.884 120.200 0.055 0.000 2.308 30 E HA 0.123 4.473 4.350 -0.000 0.000 0.275 30 E C -1.882 174.758 176.600 0.066 0.000 0.890 30 E CA -0.762 55.673 56.400 0.059 0.000 0.754 30 E CB 1.718 31.456 29.700 0.064 0.000 1.207 30 E HN 0.093 nan 8.360 nan 0.000 0.426 31 D N 4.595 125.031 120.400 0.060 0.000 2.453 31 D HA 0.313 4.953 4.640 -0.000 0.000 0.238 31 D C -0.856 175.521 176.300 0.128 0.000 1.088 31 D CA -0.412 53.644 54.000 0.093 0.000 0.854 31 D CB 0.646 41.528 40.800 0.137 0.000 1.076 31 D HN 0.390 nan 8.370 nan 0.000 0.533 32 I N 4.662 125.313 120.570 0.134 0.000 2.291 32 I HA 0.149 4.319 4.170 -0.000 0.000 0.292 32 I C 0.294 176.522 176.117 0.184 0.000 1.064 32 I CA -0.559 60.841 61.300 0.168 0.000 1.269 32 I CB 0.911 39.003 38.000 0.152 0.000 1.418 32 I HN 0.268 nan 8.210 nan 0.000 0.485 33 L N 7.334 128.686 121.223 0.216 0.000 2.395 33 L HA 0.040 4.380 4.340 -0.000 0.000 0.268 33 L C 1.063 178.025 176.870 0.153 0.000 1.223 33 L CA -0.160 54.793 54.840 0.188 0.000 1.093 33 L CB -0.439 41.801 42.059 0.303 0.000 1.349 33 L HN 0.663 nan 8.230 nan 0.000 0.427 34 Y N 2.063 122.380 120.300 0.028 0.000 2.165 34 Y HA -0.296 4.253 4.550 -0.000 0.000 0.286 34 Y C 2.087 177.912 175.900 -0.125 0.000 1.155 34 Y CA 2.011 60.072 58.100 -0.065 0.000 1.164 34 Y CB -0.023 38.340 38.460 -0.161 0.000 0.978 34 Y HN 0.564 nan 8.280 nan 0.000 0.513 35 H N -1.934 117.083 119.070 -0.089 0.000 2.548 35 H HA 0.080 4.636 4.556 -0.000 0.000 0.268 35 H C 1.331 176.700 175.328 0.067 0.000 0.975 35 H CA 1.255 57.262 56.048 -0.069 0.000 1.195 35 H CB -0.368 29.477 29.762 0.138 0.000 1.397 35 H HN 0.421 nan 8.280 nan 0.000 0.572 36 F N -0.837 119.204 119.950 0.152 0.000 2.746 36 F HA 0.074 4.601 4.527 -0.000 0.000 0.297 36 F C 1.119 176.911 175.800 -0.013 0.000 1.113 36 F CA 0.057 58.105 58.000 0.080 0.000 1.367 36 F CB 0.587 39.623 39.000 0.059 0.000 1.111 36 F HN -0.040 nan 8.300 nan 0.000 0.590 37 S N 1.582 117.335 115.700 0.087 0.000 3.706 37 S HA -0.172 4.298 4.470 -0.000 0.000 0.363 37 S C -0.645 173.966 174.600 0.018 0.000 0.999 37 S CA -0.009 58.195 58.200 0.007 0.000 1.143 37 S CB -1.491 61.699 63.200 -0.016 0.000 0.902 37 S HN 0.180 nan 8.310 nan 0.000 0.476 38 L N 1.345 122.598 121.223 0.050 0.000 2.393 38 L HA 0.910 5.250 4.340 -0.000 0.000 0.260 38 L C -0.059 176.911 176.870 0.168 0.000 1.002 38 L CA 0.110 54.868 54.840 -0.138 0.000 0.818 38 L CB 1.882 43.902 42.059 -0.066 0.000 1.369 38 L HN 0.482 nan 8.230 nan 0.000 0.412 39 S N -1.169 114.690 115.700 0.264 0.000 2.533 39 S HA 0.372 4.842 4.470 -0.000 0.000 0.271 39 S C 0.761 175.639 174.600 0.464 0.000 1.143 39 S CA 0.195 58.621 58.200 0.377 0.000 0.891 39 S CB 1.267 64.626 63.200 0.265 0.000 1.105 39 S HN 0.843 nan 8.310 nan 0.000 0.468 40 T N 0.938 115.754 114.554 0.436 0.000 2.849 40 T HA -0.124 4.226 4.350 -0.000 0.000 0.270 40 T C 1.820 176.636 174.700 0.193 0.000 1.066 40 T CA 1.953 64.256 62.100 0.338 0.000 1.130 40 T CB -0.775 68.095 68.868 0.003 0.000 0.864 40 T HN 1.051 nan 8.240 nan 0.000 0.481 41 S N 1.133 116.926 115.700 0.155 0.000 2.558 41 S HA 0.042 4.512 4.470 -0.000 0.000 0.217 41 S C 1.848 176.487 174.600 0.065 0.000 0.975 41 S CA 0.657 58.913 58.200 0.094 0.000 0.912 41 S CB -0.509 62.739 63.200 0.079 0.000 0.776 41 S HN 0.798 nan 8.310 nan 0.000 0.526 42 T N -2.631 111.977 114.554 0.090 0.000 2.986 42 T HA 0.378 4.728 4.350 -0.000 0.000 0.264 42 T C -0.141 174.374 174.700 -0.309 0.000 0.964 42 T CA -0.305 61.756 62.100 -0.065 0.000 0.895 42 T CB -0.096 68.748 68.868 -0.040 0.000 1.163 42 T HN 0.446 nan 8.240 nan 0.000 0.517 43 H N 0.941 119.966 119.070 -0.076 0.000 2.717 43 H HA 0.615 5.171 4.556 -0.000 0.000 0.366 43 H C -1.550 173.641 175.328 -0.228 0.000 1.132 43 H CA -0.822 55.093 56.048 -0.222 0.000 1.180 43 H CB 1.672 31.180 29.762 -0.423 0.000 1.678 43 H HN 0.031 nan 8.280 nan 0.000 0.537 44 D N 2.900 123.235 120.400 -0.109 0.000 2.411 44 D HA 0.061 4.701 4.640 -0.000 0.000 0.225 44 D C 0.179 176.450 176.300 -0.049 0.000 1.156 44 D CA -0.139 53.840 54.000 -0.035 0.000 0.874 44 D CB 0.057 40.839 40.800 -0.030 0.000 1.034 44 D HN 0.372 nan 8.370 nan 0.000 0.502 45 F N 3.471 123.495 119.950 0.124 0.000 2.113 45 F HA 0.009 4.536 4.527 -0.000 0.000 0.297 45 F C -0.565 175.341 175.800 0.178 0.000 1.103 45 F CA 0.739 58.882 58.000 0.238 0.000 1.248 45 F CB -1.219 37.943 39.000 0.270 0.000 0.999 45 F HN 0.391 nan 8.300 nan 0.000 0.475 46 P HA -0.226 nan 4.420 nan 0.000 0.215 46 P C 1.475 178.840 177.300 0.109 0.000 1.157 46 P CA 2.392 65.611 63.100 0.200 0.000 0.874 46 P CB -0.231 31.590 31.700 0.201 0.000 0.790 47 A N -1.420 121.426 122.820 0.043 0.000 1.972 47 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 47 A C 2.138 179.651 177.584 -0.119 0.000 1.169 47 A CA 1.736 53.757 52.037 -0.026 0.000 0.635 47 A CB -1.259 17.716 19.000 -0.041 0.000 0.810 47 A HN 0.142 nan 8.150 nan 0.000 0.446 48 M N -2.832 116.615 119.600 -0.255 0.000 2.394 48 M HA 0.194 4.674 4.480 -0.000 0.000 0.266 48 M C 0.785 176.640 176.300 -0.742 0.000 1.098 48 M CA 1.117 56.027 55.300 -0.649 0.000 1.149 48 M CB 0.194 32.106 32.600 -1.147 0.000 1.369 48 M HN 0.489 nan 8.290 nan 0.000 0.450 49 F N -2.224 117.769 119.950 0.072 0.000 2.880 49 F HA 0.337 4.864 4.527 -0.000 0.000 0.346 49 F C 2.073 177.922 175.800 0.082 0.000 1.054 49 F CA -0.258 57.793 58.000 0.085 0.000 1.151 49 F CB -0.447 38.631 39.000 0.130 0.000 1.066 49 F HN 0.043 nan 8.300 nan 0.000 0.566 50 G N 1.073 110.003 108.800 0.218 0.000 2.517 50 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.222 50 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.222 50 G C 1.242 176.215 174.900 0.123 0.000 1.109 50 G CA 1.690 46.891 45.100 0.167 0.000 0.746 50 G HN 0.476 nan 8.290 nan 0.000 0.576 51 D N -0.125 120.342 120.400 0.111 0.000 2.349 51 D HA 0.065 4.705 4.640 -0.000 0.000 0.214 51 D C 0.799 177.153 176.300 0.091 0.000 1.063 51 D CA -0.304 53.748 54.000 0.087 0.000 0.847 51 D CB -0.225 40.622 40.800 0.078 0.000 0.933 51 D HN 0.121 nan 8.370 nan 0.000 0.513 52 V N 1.166 121.154 119.914 0.124 0.000 2.740 52 V HA 0.025 4.145 4.120 -0.000 0.000 0.303 52 V C 1.186 177.297 176.094 0.029 0.000 1.054 52 V CA 0.429 62.801 62.300 0.120 0.000 1.106 52 V CB 1.565 33.495 31.823 0.179 0.000 0.957 52 V HN 0.098 nan 8.190 nan 0.000 0.486 53 K N 3.002 123.379 120.400 -0.037 0.000 2.585 53 K HA 0.264 4.584 4.320 -0.000 0.000 0.210 53 K C -0.456 175.855 176.600 -0.482 0.000 1.504 53 K CA 0.429 56.528 56.287 -0.312 0.000 1.029 53 K CB 0.797 32.981 32.500 -0.527 0.000 1.332 53 K HN 0.510 nan 8.250 nan 0.000 0.569 54 F N 1.557 121.587 119.950 0.133 0.000 2.460 54 F HA 0.368 4.895 4.527 -0.000 0.000 0.341 54 F C 0.015 175.909 175.800 0.156 0.000 1.130 54 F CA -1.164 56.940 58.000 0.173 0.000 0.962 54 F CB 1.773 40.905 39.000 0.221 0.000 1.171 54 F HN -0.436 nan 8.300 nan 0.000 0.436 55 V N 2.765 122.846 119.914 0.278 0.000 2.370 55 V HA 0.392 4.511 4.120 -0.000 0.000 0.283 55 V C -0.402 175.820 176.094 0.213 0.000 1.023 55 V CA -0.733 61.694 62.300 0.211 0.000 0.857 55 V CB 1.272 33.168 31.823 0.122 0.000 0.985 55 V HN 0.874 nan 8.190 nan 0.000 0.443 56 C N 5.148 124.567 119.300 0.198 0.000 2.379 56 C HA 0.830 5.290 4.460 -0.000 0.000 0.323 56 C C 0.086 175.095 174.990 0.033 0.000 1.262 56 C CA -0.742 58.324 59.018 0.081 0.000 1.581 56 C CB 1.002 28.758 27.740 0.027 0.000 2.221 56 C HN 0.824 nan 8.230 nan 0.000 0.497 57 V N 1.299 121.206 119.914 -0.013 0.000 2.760 57 V HA 1.078 5.198 4.120 -0.000 0.000 0.309 57 V C -0.245 175.869 176.094 0.033 0.000 1.077 57 V CA 0.018 62.364 62.300 0.076 0.000 0.910 57 V CB 1.318 33.250 31.823 0.182 0.000 1.008 57 V HN 1.188 nan 8.190 nan 0.000 0.424 58 G N 1.825 110.585 108.800 -0.067 0.000 2.682 58 G HA2 0.618 4.578 3.960 -0.000 0.000 0.290 58 G HA3 0.618 4.578 3.960 -0.000 0.000 0.290 58 G C 0.407 174.805 174.900 -0.836 0.000 1.425 58 G CA -0.060 44.868 45.100 -0.286 0.000 0.807 58 G HN 1.192 nan 8.290 nan 0.000 0.482 59 G N -0.409 107.999 108.800 -0.654 0.000 2.404 59 G HA2 0.171 4.131 3.960 -0.000 0.000 0.214 59 G HA3 0.171 4.131 3.960 -0.000 0.000 0.214 59 G C 1.086 175.838 174.900 -0.247 0.000 1.189 59 G CA 1.551 46.332 45.100 -0.533 0.000 0.789 59 G HN 1.139 nan 8.290 nan 0.000 0.533 60 S N 0.883 116.497 115.700 -0.144 0.000 2.513 60 S HA 0.436 4.906 4.470 -0.000 0.000 0.276 60 S C -1.268 173.329 174.600 -0.004 0.000 1.254 60 S CA -1.351 56.816 58.200 -0.054 0.000 1.053 60 S CB 1.894 65.072 63.200 -0.038 0.000 0.958 60 S HN -0.040 nan 8.310 nan 0.000 0.491 61 P HA -0.076 nan 4.420 nan 0.000 0.219 61 P C 1.651 179.038 177.300 0.146 0.000 1.150 61 P CA 1.089 64.279 63.100 0.150 0.000 0.814 61 P CB -0.091 31.702 31.700 0.155 0.000 0.787 62 S N -0.469 115.275 115.700 0.073 0.000 2.383 62 S HA -0.148 4.322 4.470 -0.000 0.000 0.227 62 S C 2.178 176.776 174.600 -0.004 0.000 1.026 62 S CA 0.711 58.932 58.200 0.035 0.000 0.981 62 S CB -0.932 62.283 63.200 0.026 0.000 0.818 62 S HN -0.045 nan 8.310 nan 0.000 0.472 63 R N -0.005 120.494 120.500 -0.002 0.000 2.073 63 R HA 0.040 4.380 4.340 -0.000 0.000 0.234 63 R C 2.174 178.478 176.300 0.006 0.000 1.134 63 R CA 1.792 57.882 56.100 -0.017 0.000 0.952 63 R CB -0.281 29.994 30.300 -0.041 0.000 0.850 63 R HN 0.388 nan 8.270 nan 0.000 0.433 64 M N 0.405 120.024 119.600 0.031 0.000 2.476 64 M HA -0.087 4.393 4.480 -0.000 0.000 0.262 64 M C 1.859 178.164 176.300 0.007 0.000 1.079 64 M CA 1.269 56.628 55.300 0.099 0.000 1.104 64 M CB -0.552 32.147 32.600 0.165 0.000 1.409 64 M HN 0.087 nan 8.290 nan 0.000 0.467 65 K N 0.532 120.795 120.400 -0.229 0.000 2.021 65 K HA 0.012 4.332 4.320 -0.000 0.000 0.205 65 K C 2.012 178.367 176.600 -0.409 0.000 1.047 65 K CA 1.200 57.047 56.287 -0.733 0.000 0.943 65 K CB -0.005 32.103 32.500 -0.653 0.000 0.725 65 K HN 0.190 nan 8.250 nan 0.000 0.439 66 A N 0.789 123.490 122.820 -0.198 0.000 1.997 66 A HA -0.222 4.098 4.320 -0.000 0.000 0.221 66 A C 1.965 179.528 177.584 -0.036 0.000 1.172 66 A CA 1.565 53.533 52.037 -0.115 0.000 0.645 66 A CB -0.815 18.158 19.000 -0.046 0.000 0.813 66 A HN 0.557 nan 8.150 nan 0.000 0.454 67 F N -0.541 119.329 119.950 -0.133 0.000 2.098 67 F HA -0.067 4.460 4.527 -0.000 0.000 0.294 67 F C 1.883 177.652 175.800 -0.051 0.000 1.107 67 F CA 1.603 59.584 58.000 -0.032 0.000 1.234 67 F CB -0.152 38.835 39.000 -0.020 0.000 1.002 67 F HN 0.178 nan 8.300 nan 0.000 0.472 68 I N 1.094 121.526 120.570 -0.230 0.000 2.335 68 I HA -0.273 3.897 4.170 -0.000 0.000 0.251 68 I C 2.127 177.933 176.117 -0.518 0.000 1.129 68 I CA 1.556 62.642 61.300 -0.357 0.000 1.402 68 I CB -0.547 37.335 38.000 -0.196 0.000 1.069 68 I HN 0.112 nan 8.210 nan 0.000 0.424 69 K N -0.968 119.049 120.400 -0.639 0.000 2.007 69 K HA -0.222 4.098 4.320 -0.000 0.000 0.206 69 K C 2.245 178.652 176.600 -0.321 0.000 1.047 69 K CA 1.780 57.643 56.287 -0.706 0.000 0.937 69 K CB -0.626 31.496 32.500 -0.630 0.000 0.718 69 K HN 0.336 nan 8.250 nan 0.000 0.438 70 Y N 1.422 121.537 120.300 -0.309 0.000 2.193 70 Y HA -0.263 4.287 4.550 -0.000 0.000 0.285 70 Y C 1.973 177.738 175.900 -0.224 0.000 1.166 70 Y CA 1.208 59.184 58.100 -0.207 0.000 1.181 70 Y CB -0.409 37.962 38.460 -0.150 0.000 0.976 70 Y HN -0.182 nan 8.280 nan 0.000 0.520 71 V N 0.225 119.789 119.914 -0.583 0.000 2.649 71 V HA -0.072 4.048 4.120 -0.000 0.000 0.248 71 V C 2.501 178.384 176.094 -0.353 0.000 1.054 71 V CA 1.349 63.267 62.300 -0.637 0.000 1.073 71 V CB -0.863 30.543 31.823 -0.695 0.000 0.699 71 V HN 0.598 nan 8.190 nan 0.000 0.463 72 A N -0.615 122.065 122.820 -0.233 0.000 1.908 72 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 72 A C 2.142 179.779 177.584 0.088 0.000 1.181 72 A CA 2.500 54.544 52.037 0.013 0.000 0.627 72 A CB -0.571 18.515 19.000 0.143 0.000 0.818 72 A HN 0.505 nan 8.150 nan 0.000 0.445 73 M N -0.497 119.076 119.600 -0.045 0.000 2.106 73 M HA -0.184 4.296 4.480 -0.000 0.000 0.259 73 M C 1.876 178.118 176.300 -0.096 0.000 1.068 73 M CA 1.687 56.957 55.300 -0.050 0.000 1.100 73 M CB -0.236 32.311 32.600 -0.088 0.000 1.351 73 M HN 0.412 nan 8.290 nan 0.000 0.404 74 E N -0.358 119.710 120.200 -0.219 0.000 2.285 74 E HA -0.048 4.302 4.350 -0.000 0.000 0.194 74 E C 1.415 177.964 176.600 -0.086 0.000 0.997 74 E CA 0.876 57.158 56.400 -0.196 0.000 0.845 74 E CB 0.009 29.500 29.700 -0.349 0.000 0.782 74 E HN 0.541 nan 8.360 nan 0.000 0.491 75 L N -0.248 120.978 121.223 0.006 0.000 2.700 75 L HA 0.311 4.651 4.340 -0.000 0.000 0.234 75 L C 0.885 177.723 176.870 -0.054 0.000 1.156 75 L CA -0.062 54.819 54.840 0.068 0.000 0.946 75 L CB 0.004 42.254 42.059 0.319 0.000 1.216 75 L HN -0.027 nan 8.230 nan 0.000 0.493 76 G N 0.494 109.271 108.800 -0.040 0.000 2.359 76 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.298 76 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.298 76 G C 0.072 174.835 174.900 -0.230 0.000 1.030 76 G CA 0.197 45.230 45.100 -0.112 0.000 1.149 76 G HN 0.387 nan 8.290 nan 0.000 0.512 77 F N 0.210 120.176 119.950 0.026 0.000 2.706 77 F HA 0.555 5.082 4.527 -0.000 0.000 0.308 77 F C 1.932 177.833 175.800 0.168 0.000 1.095 77 F CA 0.197 58.245 58.000 0.079 0.000 1.244 77 F CB 0.326 39.367 39.000 0.068 0.000 1.063 77 F HN 0.532 nan 8.300 nan 0.000 0.582 78 A N 0.052 123.042 122.820 0.284 0.000 2.409 78 A HA 0.298 4.618 4.320 -0.000 0.000 0.246 78 A C -0.115 177.679 177.584 0.349 0.000 1.099 78 A CA 0.308 52.515 52.037 0.284 0.000 0.789 78 A CB 0.084 19.179 19.000 0.158 0.000 1.053 78 A HN 0.440 nan 8.150 nan 0.000 0.503 83 D N -0.496 119.644 120.400 -0.433 0.000 2.264 83 D HA 0.592 5.232 4.640 -0.000 0.000 0.249 83 D C -1.200 174.798 176.300 -0.502 0.000 1.070 83 D CA 0.489 54.310 54.000 -0.297 0.000 0.912 83 D CB 0.451 41.182 40.800 -0.115 0.000 1.193 83 D HN 0.333 nan 8.370 nan 0.000 0.427 84 Y N 2.424 122.731 120.300 0.013 0.000 2.842 84 Y HA 0.339 4.889 4.550 -0.000 0.000 0.334 84 Y C -1.952 174.071 175.900 0.206 0.000 1.019 84 Y CA -2.239 55.900 58.100 0.064 0.000 1.258 84 Y CB 0.946 39.393 38.460 -0.020 0.000 1.106 84 Y HN 0.217 nan 8.280 nan 0.000 0.545 85 P HA -0.062 nan 4.420 nan 0.000 0.266 85 P C -0.141 177.297 177.300 0.229 0.000 1.195 85 P CA -0.065 63.150 63.100 0.192 0.000 0.768 85 P CB 0.696 32.443 31.700 0.079 0.000 0.838 86 N N 2.533 121.298 118.700 0.108 0.000 2.411 86 N HA 0.093 4.833 4.740 -0.000 0.000 0.259 86 N C 0.863 176.282 175.510 -0.152 0.000 1.103 86 N CA 0.057 52.986 53.050 -0.201 0.000 0.954 86 N CB -0.102 38.296 38.487 -0.148 0.000 1.085 86 N HN 0.285 nan 8.380 nan 0.000 0.485 87 I N 1.309 121.753 120.570 -0.210 0.000 2.756 87 I HA -0.141 4.029 4.170 -0.000 0.000 0.262 87 I C 0.655 176.728 176.117 -0.073 0.000 1.225 87 I CA 0.510 61.757 61.300 -0.089 0.000 1.472 87 I CB 0.032 38.009 38.000 -0.038 0.000 1.094 87 I HN 0.458 nan 8.210 nan 0.000 0.454 88 C N 2.267 121.500 119.300 -0.111 0.000 2.339 88 C HA 0.216 4.676 4.460 -0.000 0.000 0.361 88 C C 0.759 175.740 174.990 -0.015 0.000 1.378 88 C CA -0.749 58.250 59.018 -0.032 0.000 1.763 88 C CB -1.724 26.023 27.740 0.011 0.000 2.632 88 C HN 0.231 nan 8.230 nan 0.000 0.576 89 E N 0.267 120.461 120.200 -0.009 0.000 2.354 89 E HA 0.370 4.720 4.350 -0.000 0.000 0.269 89 E C 1.121 177.729 176.600 0.014 0.000 1.036 89 E CA 0.749 57.153 56.400 0.006 0.000 0.876 89 E CB 1.016 30.724 29.700 0.014 0.000 1.009 89 E HN 0.682 nan 8.360 nan 0.000 0.416 90 G N 2.060 110.864 108.800 0.007 0.000 2.157 90 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.248 90 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.248 90 G C 0.410 175.295 174.900 -0.025 0.000 0.979 90 G CA 0.513 45.613 45.100 -0.001 0.000 0.650 90 G HN 0.665 nan 8.290 nan 0.000 0.529 91 T N -0.508 114.034 114.554 -0.020 0.000 2.821 91 T HA 0.531 4.881 4.350 -0.000 0.000 0.306 91 T C -1.004 173.688 174.700 -0.014 0.000 1.313 91 T CA 0.519 62.596 62.100 -0.038 0.000 1.012 91 T CB 1.594 70.435 68.868 -0.044 0.000 1.298 91 T HN 0.407 nan 8.240 nan 0.000 0.502 92 D N 1.134 121.517 120.400 -0.028 0.000 2.636 92 D HA 0.183 4.822 4.640 -0.000 0.000 0.270 92 D C 1.193 177.454 176.300 -0.066 0.000 1.430 92 D CA -0.406 53.580 54.000 -0.023 0.000 0.796 92 D CB 0.254 41.044 40.800 -0.017 0.000 1.117 92 D HN 0.215 nan 8.370 nan 0.000 0.480 93 R N -0.084 120.361 120.500 -0.092 0.000 2.090 93 R HA 0.101 4.441 4.340 -0.000 0.000 0.228 93 R C -0.077 175.894 176.300 -0.549 0.000 1.110 93 R CA 0.903 56.829 56.100 -0.290 0.000 0.973 93 R CB -0.184 30.013 30.300 -0.172 0.000 0.869 93 R HN 0.297 nan 8.270 nan 0.000 0.440 94 Y N -1.417 118.967 120.300 0.141 0.000 2.513 94 Y HA 0.537 5.087 4.550 -0.000 0.000 0.340 94 Y C -0.451 175.494 175.900 0.075 0.000 1.055 94 Y CA -1.162 57.036 58.100 0.164 0.000 1.020 94 Y CB 1.850 40.522 38.460 0.353 0.000 1.301 94 Y HN -0.065 nan 8.280 nan 0.000 0.453 95 A N 3.770 126.694 122.820 0.174 0.000 2.312 95 A HA 0.892 5.212 4.320 -0.000 0.000 0.328 95 A C -0.887 176.575 177.584 -0.202 0.000 1.158 95 A CA -0.672 51.334 52.037 -0.052 0.000 0.821 95 A CB 1.301 20.324 19.000 0.039 0.000 1.170 95 A HN 0.821 nan 8.150 nan 0.000 0.490 96 M N 1.948 121.190 119.600 -0.596 0.000 2.371 96 M HA 0.738 5.218 4.480 -0.000 0.000 0.287 96 M C -2.321 173.526 176.300 -0.755 0.000 1.149 96 M CA -0.334 54.670 55.300 -0.494 0.000 0.929 96 M CB 1.407 33.801 32.600 -0.343 0.000 1.683 96 M HN 0.623 nan 8.290 nan 0.000 0.470 97 F N 2.442 122.434 119.950 0.070 0.000 2.588 97 F HA 0.635 5.162 4.527 -0.000 0.000 0.310 97 F C -0.716 175.145 175.800 0.102 0.000 1.082 97 F CA -0.755 57.301 58.000 0.093 0.000 0.929 97 F CB 2.080 41.138 39.000 0.097 0.000 1.254 97 F HN 0.460 nan 8.300 nan 0.000 0.455 98 K N 1.650 122.212 120.400 0.271 0.000 2.427 98 K HA 0.841 5.161 4.320 -0.000 0.000 0.252 98 K C -2.239 174.418 176.600 0.095 0.000 0.931 98 K CA -0.639 55.753 56.287 0.175 0.000 0.793 98 K CB 2.418 35.013 32.500 0.157 0.000 1.211 98 K HN 0.559 nan 8.250 nan 0.000 0.426 99 V N 4.038 123.950 119.914 -0.003 0.000 2.532 99 V HA 0.439 4.559 4.120 -0.000 0.000 0.294 99 V C 0.621 176.505 176.094 -0.350 0.000 1.036 99 V CA 0.292 62.477 62.300 -0.193 0.000 0.876 99 V CB 0.851 32.525 31.823 -0.249 0.000 1.012 99 V HN 1.176 nan 8.190 nan 0.000 0.432 100 G N 7.922 116.523 108.800 -0.332 0.000 2.622 100 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.307 100 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.307 100 G C -1.655 173.241 174.900 -0.007 0.000 1.226 100 G CA 0.541 45.527 45.100 -0.190 0.000 0.997 100 G HN 0.600 nan 8.290 nan 0.000 0.551 101 P HA 0.385 nan 4.420 nan 0.000 0.257 101 P C -0.144 177.316 177.300 0.266 0.000 1.325 101 P CA 0.229 63.438 63.100 0.182 0.000 0.850 101 P CB 0.350 32.209 31.700 0.265 0.000 1.324 102 V N 1.425 121.446 119.914 0.179 0.000 2.378 102 V HA 0.294 4.414 4.120 -0.000 0.000 0.288 102 V C -0.157 176.053 176.094 0.193 0.000 1.016 102 V CA -0.864 61.571 62.300 0.225 0.000 0.840 102 V CB 1.901 33.794 31.823 0.118 0.000 0.994 102 V HN -0.099 nan 8.190 nan 0.000 0.431 103 L N 4.354 125.718 121.223 0.234 0.000 2.295 103 L HA 0.692 5.032 4.340 -0.000 0.000 0.285 103 L C 0.174 177.189 176.870 0.242 0.000 1.035 103 L CA 0.543 55.509 54.840 0.209 0.000 0.806 103 L CB 1.866 44.015 42.059 0.149 0.000 1.214 103 L HN 0.676 nan 8.230 nan 0.000 0.426 104 S N 3.894 119.756 115.700 0.271 0.000 2.498 104 S HA 0.846 5.316 4.470 -0.000 0.000 0.317 104 S C -1.268 173.484 174.600 0.253 0.000 1.090 104 S CA -0.488 57.903 58.200 0.319 0.000 1.089 104 S CB 0.847 64.319 63.200 0.454 0.000 0.997 104 S HN 0.398 nan 8.310 nan 0.000 0.470 105 V N 4.416 124.426 119.914 0.161 0.000 2.623 105 V HA 0.541 4.661 4.120 -0.000 0.000 0.304 105 V C 0.229 176.400 176.094 0.129 0.000 1.054 105 V CA -0.942 61.414 62.300 0.092 0.000 0.882 105 V CB 1.795 33.605 31.823 -0.021 0.000 1.002 105 V HN 0.957 nan 8.190 nan 0.000 0.424 106 S N 2.734 118.531 115.700 0.160 0.000 2.632 106 S HA 0.438 4.908 4.470 -0.000 0.000 0.267 106 S C 0.510 175.275 174.600 0.274 0.000 1.276 106 S CA 0.235 58.509 58.200 0.123 0.000 0.998 106 S CB 0.582 63.866 63.200 0.141 0.000 0.953 106 S HN 1.101 nan 8.310 nan 0.000 0.547 107 H N -0.549 118.678 119.070 0.261 0.000 3.650 107 H HA 0.360 4.916 4.556 -0.000 0.000 0.260 107 H C 0.917 176.428 175.328 0.305 0.000 1.194 107 H CA -0.370 55.884 56.048 0.344 0.000 1.135 107 H CB -0.541 29.310 29.762 0.148 0.000 1.612 107 H HN 1.136 nan 8.280 nan 0.000 0.703 108 G N 2.278 111.153 108.800 0.126 0.000 2.601 108 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.252 108 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.252 108 G C -0.445 174.567 174.900 0.188 0.000 1.294 108 G CA 0.161 45.325 45.100 0.107 0.000 0.912 108 G HN 0.314 nan 8.290 nan 0.000 0.574 109 M N 0.737 120.419 119.600 0.137 0.000 2.383 109 M HA 0.612 5.092 4.480 -0.000 0.000 0.325 109 M C 0.461 176.839 176.300 0.130 0.000 1.092 109 M CA 0.377 55.758 55.300 0.134 0.000 0.961 109 M CB 1.806 34.447 32.600 0.068 0.000 1.672 109 M HN 2.601 nan 8.290 nan 0.000 0.438 110 G N 0.675 109.550 108.800 0.126 0.000 2.675 110 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.686 110 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.686 110 G C -0.016 174.935 174.900 0.085 0.000 1.215 110 G CA -0.756 44.406 45.100 0.104 0.000 0.777 110 G HN 0.570 nan 8.290 nan 0.000 0.638 111 V N 2.060 122.020 119.914 0.077 0.000 2.282 111 V HA -0.132 3.988 4.120 -0.000 0.000 0.249 111 V C 0.561 176.698 176.094 0.072 0.000 1.057 111 V CA 3.018 65.354 62.300 0.059 0.000 1.032 111 V CB -0.908 30.985 31.823 0.117 0.000 0.645 111 V HN 0.686 nan 8.190 nan 0.000 0.447 112 P HA -0.073 nan 4.420 nan 0.000 0.220 112 P C 2.024 179.380 177.300 0.094 0.000 1.152 112 P CA 1.591 64.748 63.100 0.096 0.000 0.812 112 P CB -0.067 31.686 31.700 0.088 0.000 0.792 113 S N -0.715 115.053 115.700 0.113 0.000 2.368 113 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 113 S C 1.849 176.583 174.600 0.223 0.000 1.030 113 S CA 0.895 59.198 58.200 0.171 0.000 0.999 113 S CB -0.953 62.351 63.200 0.172 0.000 0.844 113 S HN 0.016 nan 8.310 nan 0.000 0.459 114 I N 0.886 121.535 120.570 0.131 0.000 2.439 114 I HA -0.016 4.154 4.170 -0.000 0.000 0.251 114 I C 2.383 178.492 176.117 -0.013 0.000 1.139 114 I CA 1.060 62.379 61.300 0.031 0.000 1.438 114 I CB -0.529 37.339 38.000 -0.221 0.000 1.085 114 I HN 0.400 nan 8.210 nan 0.000 0.427 115 A N 1.403 124.228 122.820 0.009 0.000 1.908 115 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 115 A C 2.187 179.823 177.584 0.086 0.000 1.181 115 A CA 1.904 53.955 52.037 0.024 0.000 0.627 115 A CB -0.902 18.154 19.000 0.093 0.000 0.818 115 A HN 0.530 nan 8.150 nan 0.000 0.445 116 I N -1.114 119.484 120.570 0.047 0.000 2.113 116 I HA -0.298 3.872 4.170 -0.000 0.000 0.238 116 I C 2.754 178.756 176.117 -0.192 0.000 1.070 116 I CA 1.705 62.966 61.300 -0.065 0.000 1.332 116 I CB -0.376 37.502 38.000 -0.203 0.000 1.044 116 I HN 0.378 nan 8.210 nan 0.000 0.402 117 M N 0.900 120.318 119.600 -0.302 0.000 2.089 117 M HA -0.262 4.218 4.480 -0.000 0.000 0.257 117 M C 2.366 178.585 176.300 -0.134 0.000 1.071 117 M CA 2.136 57.152 55.300 -0.473 0.000 1.096 117 M CB -0.653 31.678 32.600 -0.449 0.000 1.330 117 M HN 0.242 nan 8.290 nan 0.000 0.403 118 L N -1.306 119.860 121.223 -0.095 0.000 2.017 118 L HA -0.261 4.079 4.340 -0.000 0.000 0.208 118 L C 2.347 179.148 176.870 -0.114 0.000 1.073 118 L CA 1.498 56.280 54.840 -0.097 0.000 0.745 118 L CB -0.960 41.001 42.059 -0.163 0.000 0.894 118 L HN 0.383 nan 8.230 nan 0.000 0.432 119 H N -0.245 118.761 119.070 -0.107 0.000 2.352 119 H HA -0.186 4.370 4.556 -0.000 0.000 0.299 119 H C 2.144 177.413 175.328 -0.098 0.000 1.097 119 H CA 1.857 57.844 56.048 -0.102 0.000 1.311 119 H CB 0.189 29.891 29.762 -0.100 0.000 1.377 119 H HN 0.360 nan 8.280 nan 0.000 0.504 120 E N -0.382 119.813 120.200 -0.010 0.000 2.299 120 E HA -0.073 4.277 4.350 -0.000 0.000 0.193 120 E C 1.771 178.480 176.600 0.181 0.000 0.998 120 E CA 0.232 56.614 56.400 -0.031 0.000 0.851 120 E CB 0.172 29.638 29.700 -0.391 0.000 0.795 120 E HN 0.250 nan 8.360 nan 0.000 0.492 121 L N 1.199 122.545 121.223 0.205 0.000 2.023 121 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 121 L C 2.027 178.901 176.870 0.007 0.000 1.073 121 L CA 1.517 56.459 54.840 0.171 0.000 0.745 121 L CB -0.312 41.809 42.059 0.103 0.000 0.900 121 L HN 0.051 nan 8.230 nan 0.000 0.435 122 I N -0.339 120.208 120.570 -0.038 0.000 2.163 122 I HA -0.360 3.810 4.170 -0.000 0.000 0.243 122 I C 2.478 178.542 176.117 -0.089 0.000 1.085 122 I CA 1.559 62.813 61.300 -0.076 0.000 1.347 122 I CB -0.454 37.478 38.000 -0.113 0.000 1.044 122 I HN 0.289 nan 8.210 nan 0.000 0.408 123 K N 0.597 120.931 120.400 -0.111 0.000 2.063 123 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 123 K C 2.191 178.616 176.600 -0.292 0.000 1.048 123 K CA 1.500 57.650 56.287 -0.229 0.000 0.928 123 K CB -0.423 31.969 32.500 -0.180 0.000 0.713 123 K HN 0.346 nan 8.250 nan 0.000 0.442 124 L N 1.353 122.483 121.223 -0.156 0.000 2.012 124 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 124 L C 2.102 178.889 176.870 -0.137 0.000 1.073 124 L CA 1.398 56.117 54.840 -0.201 0.000 0.748 124 L CB -0.247 41.749 42.059 -0.105 0.000 0.891 124 L HN 0.149 nan 8.230 nan 0.000 0.431 125 L N -1.048 120.115 121.223 -0.099 0.000 2.083 125 L HA -0.263 4.077 4.340 -0.000 0.000 0.209 125 L C 2.609 179.460 176.870 -0.030 0.000 1.083 125 L CA 1.693 56.509 54.840 -0.040 0.000 0.752 125 L CB -0.859 41.181 42.059 -0.032 0.000 0.899 125 L HN 0.416 nan 8.230 nan 0.000 0.433 126 Y N -0.321 119.856 120.300 -0.205 0.000 2.293 126 Y HA -0.215 4.335 4.550 -0.000 0.000 0.291 126 Y C 2.704 178.432 175.900 -0.286 0.000 1.137 126 Y CA 1.469 59.435 58.100 -0.224 0.000 1.202 126 Y CB -0.145 38.138 38.460 -0.294 0.000 0.990 126 Y HN 0.177 nan 8.280 nan 0.000 0.537 127 H N -0.407 118.499 119.070 -0.274 0.000 2.403 127 H HA 0.142 4.698 4.556 -0.000 0.000 0.298 127 H C 2.270 177.361 175.328 -0.394 0.000 1.059 127 H CA 1.034 56.814 56.048 -0.446 0.000 1.363 127 H CB -0.600 28.807 29.762 -0.592 0.000 1.410 127 H HN 0.462 nan 8.280 nan 0.000 0.528 128 A N -0.109 122.719 122.820 0.014 0.000 2.209 128 A HA -0.087 4.233 4.320 -0.000 0.000 0.212 128 A C 0.084 177.715 177.584 0.079 0.000 1.158 128 A CA 0.722 52.867 52.037 0.180 0.000 0.742 128 A CB -0.757 18.461 19.000 0.363 0.000 0.790 128 A HN 0.716 nan 8.150 nan 0.000 0.472 129 H N -2.932 116.137 119.070 -0.003 0.000 2.862 129 H HA -0.171 4.385 4.556 -0.000 0.000 0.290 129 H C 0.263 175.588 175.328 -0.005 0.000 1.211 129 H CA -0.062 55.953 56.048 -0.055 0.000 1.140 129 H CB -2.577 27.163 29.762 -0.036 0.000 1.341 129 H HN 0.560 nan 8.280 nan 0.000 0.392 130 C N 1.191 120.549 119.300 0.098 0.000 2.741 130 C HA 0.372 4.832 4.460 -0.000 0.000 0.403 130 C C 1.097 176.107 174.990 0.033 0.000 1.282 130 C CA 0.555 59.614 59.018 0.069 0.000 2.053 130 C CB 0.523 28.295 27.740 0.053 0.000 2.731 130 C HN 0.663 nan 8.230 nan 0.000 0.680 131 S N -0.052 115.648 115.700 -0.001 0.000 2.541 131 S HA 0.649 5.119 4.470 -0.000 0.000 0.271 131 S C -0.175 174.374 174.600 -0.085 0.000 1.133 131 S CA 0.195 58.367 58.200 -0.046 0.000 0.876 131 S CB 1.340 64.504 63.200 -0.060 0.000 1.105 131 S HN 2.438 nan 8.310 nan 0.000 0.470 132 G N 0.755 109.489 108.800 -0.109 0.000 2.314 132 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.292 132 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.292 132 G C -0.127 174.695 174.900 -0.130 0.000 1.059 132 G CA 0.084 45.112 45.100 -0.120 0.000 0.982 132 G HN 1.268 nan 8.290 nan 0.000 0.505 133 V N 0.277 120.133 119.914 -0.096 0.000 2.644 133 V HA 0.700 4.820 4.120 -0.000 0.000 0.295 133 V C 0.793 176.860 176.094 -0.046 0.000 1.053 133 V CA 0.126 62.370 62.300 -0.094 0.000 0.987 133 V CB 1.810 33.604 31.823 -0.049 0.000 1.006 133 V HN 0.439 nan 8.190 nan 0.000 0.472 134 T N 5.326 119.878 114.554 -0.004 0.000 2.807 134 T HA 0.677 5.027 4.350 -0.000 0.000 0.279 134 T C -0.616 174.163 174.700 0.131 0.000 0.993 134 T CA -0.397 61.761 62.100 0.098 0.000 0.970 134 T CB 1.322 70.343 68.868 0.255 0.000 0.950 134 T HN 0.273 nan 8.240 nan 0.000 0.441 135 L N 3.655 124.935 121.223 0.096 0.000 2.282 135 L HA 0.612 4.952 4.340 -0.000 0.000 0.288 135 L C -0.474 176.565 176.870 0.282 0.000 1.033 135 L CA -0.386 54.556 54.840 0.169 0.000 0.807 135 L CB 0.979 43.082 42.059 0.073 0.000 1.209 135 L HN 0.568 nan 8.230 nan 0.000 0.423 136 I N 3.242 123.958 120.570 0.244 0.000 2.499 136 I HA 0.428 4.598 4.170 -0.000 0.000 0.288 136 I C -0.324 175.744 176.117 -0.081 0.000 1.048 136 I CA -0.767 60.594 61.300 0.102 0.000 1.062 136 I CB 2.058 40.045 38.000 -0.020 0.000 1.238 136 I HN 0.562 nan 8.210 nan 0.000 0.426 137 R N 7.557 127.837 120.500 -0.367 0.000 2.234 137 R HA 0.489 4.829 4.340 -0.000 0.000 0.324 137 R C -0.645 175.482 176.300 -0.289 0.000 1.054 137 R CA -0.416 55.398 56.100 -0.476 0.000 0.912 137 R CB 0.626 30.390 30.300 -0.893 0.000 1.030 137 R HN 0.664 nan 8.270 nan 0.000 0.455 138 I N 3.409 123.831 120.570 -0.246 0.000 2.310 138 I HA 0.469 4.639 4.170 -0.000 0.000 0.287 138 I C 0.263 176.271 176.117 -0.182 0.000 1.073 138 I CA -0.671 60.486 61.300 -0.238 0.000 1.216 138 I CB 1.052 38.842 38.000 -0.351 0.000 1.415 138 I HN 0.675 nan 8.210 nan 0.000 0.480 139 G N 4.212 112.926 108.800 -0.143 0.000 3.107 139 G HA2 0.780 4.740 3.960 -0.000 0.000 0.232 139 G HA3 0.780 4.740 3.960 -0.000 0.000 0.232 139 G C -0.520 174.330 174.900 -0.084 0.000 1.339 139 G CA -0.380 44.664 45.100 -0.094 0.000 1.033 139 G HN 0.618 nan 8.290 nan 0.000 0.567 140 T N -2.965 111.562 114.554 -0.046 0.000 2.907 140 T HA 0.798 5.148 4.350 -0.000 0.000 0.290 140 T C -0.152 174.545 174.700 -0.005 0.000 1.066 140 T CA 0.217 62.299 62.100 -0.030 0.000 1.012 140 T CB 1.709 70.573 68.868 -0.006 0.000 1.184 140 T HN 1.699 nan 8.240 nan 0.000 0.522 141 S N -0.687 115.013 115.700 -0.002 0.000 2.703 141 S HA 0.794 5.263 4.470 -0.000 0.000 0.273 141 S C -0.325 174.273 174.600 -0.004 0.000 1.178 141 S CA -0.729 57.471 58.200 0.000 0.000 0.838 141 S CB 0.929 64.114 63.200 -0.025 0.000 1.178 141 S HN 1.446 nan 8.310 nan 0.000 0.494 142 G N -0.565 108.218 108.800 -0.029 0.000 2.379 142 G HA2 0.634 4.594 3.960 -0.000 0.000 0.327 142 G HA3 0.634 4.594 3.960 -0.000 0.000 0.327 142 G C 0.125 175.003 174.900 -0.037 0.000 1.145 142 G CA -0.368 44.708 45.100 -0.041 0.000 0.905 142 G HN 0.987 nan 8.290 nan 0.000 0.466 143 G N -0.108 108.675 108.800 -0.029 0.000 2.504 143 G HA2 0.558 4.518 3.960 -0.000 0.000 0.288 143 G HA3 0.558 4.518 3.960 -0.000 0.000 0.288 143 G C -0.467 174.426 174.900 -0.011 0.000 1.182 143 G CA -0.704 44.383 45.100 -0.021 0.000 0.894 143 G HN 0.653 nan 8.290 nan 0.000 0.521 144 I N 0.856 121.438 120.570 0.020 0.000 2.439 144 I HA 0.389 4.559 4.170 -0.000 0.000 0.283 144 I C 0.851 176.996 176.117 0.046 0.000 1.023 144 I CA -0.302 61.017 61.300 0.033 0.000 1.100 144 I CB 1.650 39.700 38.000 0.083 0.000 1.238 144 I HN 0.876 nan 8.210 nan 0.000 0.445 145 G N 5.995 114.742 108.800 -0.089 0.000 2.295 145 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.287 145 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.287 145 G C -0.488 174.398 174.900 -0.024 0.000 1.055 145 G CA 0.017 45.014 45.100 -0.172 0.000 0.922 145 G HN 0.504 nan 8.290 nan 0.000 0.503 146 L N -0.787 120.432 121.223 -0.005 0.000 2.409 146 L HA 0.508 4.848 4.340 -0.000 0.000 0.262 146 L C 0.599 177.458 176.870 -0.017 0.000 0.992 146 L CA -1.282 53.562 54.840 0.006 0.000 0.817 146 L CB 1.909 43.975 42.059 0.011 0.000 1.350 146 L HN 0.497 nan 8.230 nan 0.000 0.411 147 E N 2.122 122.310 120.200 -0.019 0.000 2.384 147 E HA 0.231 4.581 4.350 -0.000 0.000 0.266 147 E C -2.482 174.087 176.600 -0.052 0.000 1.012 147 E CA -1.662 54.725 56.400 -0.022 0.000 0.901 147 E CB 0.465 30.158 29.700 -0.012 0.000 0.967 147 E HN 0.162 nan 8.360 nan 0.000 0.435 148 P HA 0.013 nan 4.420 nan 0.000 0.262 148 P C 0.567 177.682 177.300 -0.309 0.000 1.182 148 P CA 1.344 64.415 63.100 -0.048 0.000 0.761 148 P CB 0.720 32.505 31.700 0.141 0.000 0.795 149 G N 1.530 109.921 108.800 -0.683 0.000 2.231 149 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.206 149 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.206 149 G C 0.194 174.789 174.900 -0.508 0.000 0.996 149 G CA -0.220 44.206 45.100 -1.125 0.000 0.645 149 G HN 0.549 nan 8.290 nan 0.000 0.498 150 S N 0.331 115.866 115.700 -0.275 0.000 2.562 150 S HA 0.538 5.008 4.470 -0.000 0.000 0.281 150 S C 0.549 175.064 174.600 -0.141 0.000 1.333 150 S CA -0.188 57.936 58.200 -0.126 0.000 1.052 150 S CB 2.325 65.487 63.200 -0.063 0.000 0.884 150 S HN 0.671 nan 8.310 nan 0.000 0.506 151 V N 3.141 123.017 119.914 -0.063 0.000 2.617 151 V HA 0.438 4.558 4.120 -0.000 0.000 0.298 151 V C -0.042 176.042 176.094 -0.018 0.000 1.048 151 V CA -0.566 61.696 62.300 -0.063 0.000 0.964 151 V CB 1.671 33.483 31.823 -0.017 0.000 1.004 151 V HN 0.682 nan 8.190 nan 0.000 0.466 152 V N 5.162 125.054 119.914 -0.037 0.000 2.540 152 V HA 0.495 4.615 4.120 -0.000 0.000 0.302 152 V C -0.371 175.703 176.094 -0.032 0.000 1.035 152 V CA -0.468 61.814 62.300 -0.031 0.000 0.873 152 V CB 1.842 33.640 31.823 -0.042 0.000 0.992 152 V HN 0.654 nan 8.190 nan 0.000 0.428 153 I N 3.483 124.039 120.570 -0.023 0.000 2.315 153 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 153 I C 0.533 176.632 176.117 -0.030 0.000 1.006 153 I CA 0.074 61.359 61.300 -0.026 0.000 1.265 153 I CB 1.665 39.657 38.000 -0.015 0.000 1.387 153 I HN 0.566 nan 8.210 nan 0.000 0.475 154 T N 6.312 120.847 114.554 -0.032 0.000 2.814 154 T HA 0.154 4.504 4.350 -0.000 0.000 0.297 154 T C 1.113 175.803 174.700 -0.017 0.000 0.956 154 T CA -0.262 61.822 62.100 -0.026 0.000 1.123 154 T CB 1.228 70.082 68.868 -0.022 0.000 0.902 154 T HN 0.570 nan 8.240 nan 0.000 0.528 155 R N 2.209 122.696 120.500 -0.022 0.000 2.075 155 R HA 0.137 4.477 4.340 -0.000 0.000 0.220 155 R C 0.516 176.810 176.300 -0.009 0.000 1.118 155 R CA 0.801 56.891 56.100 -0.017 0.000 0.986 155 R CB 0.347 30.631 30.300 -0.027 0.000 0.884 155 R HN 0.595 nan 8.270 nan 0.000 0.439 156 Q N -0.117 119.677 119.800 -0.011 0.000 2.275 156 Q HA 0.407 4.747 4.340 -0.000 0.000 0.266 156 Q C -1.767 174.238 176.000 0.008 0.000 1.002 156 Q CA -0.580 55.224 55.803 0.001 0.000 0.761 156 Q CB 2.306 31.043 28.738 -0.001 0.000 1.255 156 Q HN 0.360 nan 8.270 nan 0.000 0.446 157 A N 2.582 125.415 122.820 0.021 0.000 2.440 157 A HA 0.534 4.854 4.320 -0.000 0.000 0.251 157 A C -0.624 176.990 177.584 0.050 0.000 1.089 157 A CA -0.107 51.948 52.037 0.029 0.000 0.779 157 A CB 0.705 19.722 19.000 0.029 0.000 1.022 157 A HN 0.497 nan 8.150 nan 0.000 0.492 158 V N 2.790 122.743 119.914 0.066 0.000 2.962 158 V HA 0.387 4.507 4.120 -0.000 0.000 0.313 158 V C -0.572 175.598 176.094 0.127 0.000 1.099 158 V CA -0.520 61.840 62.300 0.100 0.000 0.971 158 V CB 2.246 34.135 31.823 0.110 0.000 1.028 158 V HN 1.159 nan 8.190 nan 0.000 0.430 159 D N 4.789 125.265 120.400 0.128 0.000 2.433 159 D HA 0.314 4.954 4.640 -0.000 0.000 0.255 159 D C -2.217 174.152 176.300 0.115 0.000 1.226 159 D CA -1.965 52.102 54.000 0.111 0.000 1.015 159 D CB 0.493 41.338 40.800 0.076 0.000 1.091 159 D HN 0.248 nan 8.370 nan 0.000 0.527 160 P HA 0.146 nan 4.420 nan 0.000 0.242 160 P C 0.217 177.388 177.300 -0.216 0.000 1.197 160 P CA 0.347 63.489 63.100 0.069 0.000 0.765 160 P CB 0.038 31.780 31.700 0.070 0.000 0.936 161 C N -2.344 116.780 119.300 -0.293 0.000 3.104 161 C HA 0.358 4.818 4.460 -0.000 0.000 0.284 161 C C 0.821 175.503 174.990 -0.514 0.000 1.326 161 C CA -0.123 58.556 59.018 -0.565 0.000 1.725 161 C CB -1.882 25.708 27.740 -0.250 0.000 2.156 161 C HN 0.318 nan 8.230 nan 0.000 0.638 162 F N -0.097 119.867 119.950 0.024 0.000 2.840 162 F HA -0.206 4.321 4.527 -0.000 0.000 0.310 162 F C 0.558 176.359 175.800 0.002 0.000 0.688 162 F CA 0.171 58.169 58.000 -0.003 0.000 1.286 162 F CB -1.931 37.052 39.000 -0.027 0.000 1.612 162 F HN 0.272 nan 8.300 nan 0.000 0.335 163 K N 2.980 123.453 120.400 0.121 0.000 2.205 163 K HA 0.250 4.570 4.320 -0.000 0.000 0.279 163 K C -2.154 174.496 176.600 0.083 0.000 1.027 163 K CA -1.601 54.734 56.287 0.080 0.000 0.932 163 K CB 0.497 33.020 32.500 0.038 0.000 1.032 163 K HN -0.196 nan 8.250 nan 0.000 0.466 164 P HA 0.087 nan 4.420 nan 0.000 0.225 164 P C -1.231 176.110 177.300 0.068 0.000 1.813 164 P CA 0.093 63.231 63.100 0.064 0.000 1.013 164 P CB 0.122 31.849 31.700 0.043 0.000 1.961 165 E N 0.700 120.951 120.200 0.085 0.000 2.367 165 E HA 0.545 4.895 4.350 -0.000 0.000 0.273 165 E C -1.486 175.215 176.600 0.168 0.000 0.903 165 E CA -0.897 55.559 56.400 0.094 0.000 0.764 165 E CB 2.227 31.954 29.700 0.046 0.000 1.252 165 E HN 0.143 nan 8.360 nan 0.000 0.446 166 F N 1.564 121.516 119.950 0.004 0.000 2.518 166 F HA 0.359 4.886 4.527 -0.000 0.000 0.323 166 F C -0.687 175.115 175.800 0.002 0.000 1.129 166 F CA -0.553 57.450 58.000 0.005 0.000 0.920 166 F CB 1.341 40.343 39.000 0.003 0.000 1.160 166 F HN 0.388 nan 8.300 nan 0.000 0.440 167 E N 5.622 125.389 120.200 -0.722 0.000 2.166 167 E HA 0.302 4.652 4.350 -0.000 0.000 0.275 167 E C -1.474 174.614 176.600 -0.854 0.000 0.941 167 E CA -0.596 55.444 56.400 -0.600 0.000 0.784 167 E CB 1.466 30.996 29.700 -0.283 0.000 1.115 167 E HN 0.796 nan 8.360 nan 0.000 0.399 168 Q N 4.688 124.153 119.800 -0.558 0.000 2.331 168 Q HA 0.364 4.704 4.340 -0.000 0.000 0.272 168 Q C -1.366 174.535 176.000 -0.166 0.000 1.062 168 Q CA -0.722 54.867 55.803 -0.356 0.000 0.806 168 Q CB 1.396 29.983 28.738 -0.252 0.000 1.312 168 Q HN 0.639 nan 8.270 nan 0.000 0.431 169 I N 3.946 124.453 120.570 -0.105 0.000 2.301 169 I HA 0.251 4.421 4.170 -0.000 0.000 0.292 169 I C -0.678 175.416 176.117 -0.038 0.000 1.046 169 I CA -0.658 60.603 61.300 -0.064 0.000 1.282 169 I CB 1.166 39.136 38.000 -0.051 0.000 1.409 169 I HN 0.323 nan 8.210 nan 0.000 0.484 170 V N 7.679 127.573 119.914 -0.033 0.000 2.357 170 V HA 0.260 4.380 4.120 -0.000 0.000 0.284 170 V C 0.674 176.755 176.094 -0.020 0.000 1.018 170 V CA -0.725 61.563 62.300 -0.020 0.000 0.841 170 V CB 1.332 33.148 31.823 -0.012 0.000 0.991 170 V HN 0.708 nan 8.190 nan 0.000 0.437 171 L N 4.808 126.019 121.223 -0.020 0.000 3.737 171 L HA -0.295 4.045 4.340 -0.000 0.000 0.418 171 L C 1.408 178.266 176.870 -0.019 0.000 1.216 171 L CA 0.695 55.523 54.840 -0.019 0.000 0.915 171 L CB -1.941 40.108 42.059 -0.016 0.000 1.834 171 L HN 1.136 nan 8.230 nan 0.000 0.943 172 G N -1.633 107.154 108.800 -0.022 0.000 2.241 172 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.244 172 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.244 172 G C 0.215 175.099 174.900 -0.025 0.000 0.998 172 G CA 0.543 45.629 45.100 -0.022 0.000 0.621 172 G HN 0.401 nan 8.290 nan 0.000 0.519 173 K N 0.981 121.365 120.400 -0.027 0.000 2.130 173 K HA 0.670 4.990 4.320 -0.000 0.000 0.268 173 K C 0.590 177.165 176.600 -0.041 0.000 0.983 173 K CA -0.567 55.703 56.287 -0.030 0.000 0.893 173 K CB 0.901 33.386 32.500 -0.024 0.000 1.066 173 K HN 0.310 nan 8.250 nan 0.000 0.450 174 R N 1.984 122.456 120.500 -0.047 0.000 2.389 174 R HA 0.150 4.490 4.340 -0.000 0.000 0.295 174 R C -0.271 175.990 176.300 -0.064 0.000 1.075 174 R CA 0.020 56.081 56.100 -0.066 0.000 1.005 174 R CB 0.550 30.809 30.300 -0.067 0.000 0.987 174 R HN 0.564 nan 8.270 nan 0.000 0.452 175 E N 1.644 121.793 120.200 -0.084 0.000 2.288 175 E HA 0.386 4.736 4.350 -0.000 0.000 0.268 175 E C -1.104 175.434 176.600 -0.103 0.000 0.885 175 E CA -0.972 55.386 56.400 -0.070 0.000 0.767 175 E CB 2.547 32.218 29.700 -0.049 0.000 1.220 175 E HN 0.349 nan 8.360 nan 0.000 0.427 176 V N -0.189 119.686 119.914 -0.064 0.000 2.709 176 V HA 0.687 4.807 4.120 -0.000 0.000 0.308 176 V C -0.802 175.295 176.094 0.004 0.000 1.062 176 V CA -0.871 61.394 62.300 -0.057 0.000 0.901 176 V CB 1.770 33.564 31.823 -0.048 0.000 1.003 176 V HN 0.617 nan 8.190 nan 0.000 0.425 177 R N 2.740 123.276 120.500 0.060 0.000 2.854 177 R HA 0.516 4.856 4.340 -0.000 0.000 0.271 177 R C -0.762 175.594 176.300 0.094 0.000 0.996 177 R CA -0.831 55.320 56.100 0.085 0.000 0.961 177 R CB 1.833 32.208 30.300 0.124 0.000 1.182 177 R HN 0.913 nan 8.270 nan 0.000 0.479 178 N N -0.039 118.694 118.700 0.056 0.000 2.530 178 N HA 0.022 4.762 4.740 -0.000 0.000 0.273 178 N C -0.246 175.290 175.510 0.043 0.000 1.173 178 N CA -0.081 52.996 53.050 0.046 0.000 0.967 178 N CB 0.965 39.465 38.487 0.023 0.000 1.109 178 N HN 0.624 nan 8.380 nan 0.000 0.453 179 T N -1.042 113.540 114.554 0.046 0.000 3.268 179 T HA 0.272 4.622 4.350 -0.000 0.000 0.258 179 T C -0.572 174.138 174.700 0.016 0.000 0.966 179 T CA -0.818 61.299 62.100 0.030 0.000 0.952 179 T CB -0.443 68.457 68.868 0.054 0.000 1.132 179 T HN 0.299 nan 8.240 nan 0.000 0.536 180 D N 1.668 122.072 120.400 0.006 0.000 2.302 180 D HA 0.409 5.049 4.640 -0.000 0.000 0.248 180 D C -0.063 176.232 176.300 -0.008 0.000 1.094 180 D CA -0.344 53.657 54.000 0.001 0.000 0.897 180 D CB 1.345 42.145 40.800 -0.001 0.000 1.200 180 D HN 0.378 nan 8.370 nan 0.000 0.429 181 L N 1.467 122.689 121.223 -0.002 0.000 2.325 181 L HA 0.202 4.542 4.340 -0.000 0.000 0.278 181 L C 0.317 177.184 176.870 -0.005 0.000 1.023 181 L CA -1.003 53.836 54.840 -0.002 0.000 0.811 181 L CB 1.476 43.546 42.059 0.017 0.000 1.249 181 L HN 0.287 nan 8.230 nan 0.000 0.431 182 D N 1.959 122.354 120.400 -0.008 0.000 2.819 182 D HA -0.142 4.498 4.640 -0.000 0.000 0.236 182 D C 1.165 177.468 176.300 0.004 0.000 1.181 182 D CA 0.472 54.470 54.000 -0.003 0.000 0.855 182 D CB 0.688 41.488 40.800 -0.001 0.000 1.146 182 D HN 0.403 nan 8.370 nan 0.000 0.540 183 E N 2.731 122.933 120.200 0.004 0.000 2.085 183 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 183 E C 1.544 178.153 176.600 0.014 0.000 0.994 183 E CA 0.998 57.401 56.400 0.006 0.000 0.801 183 E CB 0.015 29.717 29.700 0.004 0.000 0.743 183 E HN 0.727 nan 8.360 nan 0.000 0.453 184 Q N 0.108 119.921 119.800 0.021 0.000 2.061 184 Q HA -0.111 4.229 4.340 -0.000 0.000 0.204 184 Q C 2.450 178.478 176.000 0.047 0.000 0.984 184 Q CA 1.125 56.948 55.803 0.034 0.000 0.846 184 Q CB -0.141 28.620 28.738 0.039 0.000 0.902 184 Q HN 0.265 nan 8.270 nan 0.000 0.421 185 L N 0.194 121.444 121.223 0.044 0.000 2.083 185 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 185 L C 2.419 179.300 176.870 0.019 0.000 1.083 185 L CA 1.256 56.123 54.840 0.046 0.000 0.752 185 L CB -0.307 41.762 42.059 0.016 0.000 0.899 185 L HN 0.357 nan 8.230 nan 0.000 0.433 186 V N -2.760 117.159 119.914 0.009 0.000 2.515 186 V HA -0.229 3.891 4.120 -0.000 0.000 0.250 186 V C 2.276 178.379 176.094 0.015 0.000 1.058 186 V CA 1.275 63.575 62.300 0.001 0.000 1.064 186 V CB -0.520 31.300 31.823 -0.004 0.000 0.675 186 V HN 0.451 nan 8.190 nan 0.000 0.461 187 Q N 0.561 120.375 119.800 0.024 0.000 2.123 187 Q HA -0.132 4.208 4.340 -0.000 0.000 0.199 187 Q C 2.257 178.287 176.000 0.049 0.000 0.966 187 Q CA 2.085 57.905 55.803 0.029 0.000 0.845 187 Q CB -0.222 28.531 28.738 0.025 0.000 0.907 187 Q HN 0.928 nan 8.270 nan 0.000 0.439 188 E N 0.159 120.403 120.200 0.074 0.000 2.051 188 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 188 E C 1.775 178.457 176.600 0.136 0.000 0.991 188 E CA 0.609 57.082 56.400 0.122 0.000 0.799 188 E CB 0.105 29.921 29.700 0.193 0.000 0.748 188 E HN 0.084 nan 8.360 nan 0.000 0.449 189 L N 1.159 122.441 121.223 0.099 0.000 2.012 189 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 189 L C 2.571 179.479 176.870 0.063 0.000 1.073 189 L CA 2.002 56.886 54.840 0.074 0.000 0.748 189 L CB -1.643 40.410 42.059 -0.010 0.000 0.891 189 L HN 0.283 nan 8.230 nan 0.000 0.431 190 A N -0.409 122.435 122.820 0.040 0.000 1.896 190 A HA -0.314 4.006 4.320 -0.000 0.000 0.220 190 A C 2.471 180.070 177.584 0.024 0.000 1.206 190 A CA 2.328 54.380 52.037 0.025 0.000 0.647 190 A CB -0.621 18.389 19.000 0.016 0.000 0.828 190 A HN 0.420 nan 8.150 nan 0.000 0.455 191 R N -1.165 119.358 120.500 0.038 0.000 2.091 191 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 191 R C 2.309 178.628 176.300 0.032 0.000 1.136 191 R CA 1.603 57.722 56.100 0.032 0.000 0.959 191 R CB -0.803 29.523 30.300 0.042 0.000 0.856 191 R HN 0.687 nan 8.270 nan 0.000 0.437 192 C N -0.624 118.716 119.300 0.067 0.000 2.425 192 C HA -0.060 4.400 4.460 -0.000 0.000 0.277 192 C C 2.943 177.949 174.990 0.026 0.000 1.280 192 C CA 0.809 59.872 59.018 0.075 0.000 1.744 192 C CB -0.786 27.048 27.740 0.157 0.000 1.989 192 C HN 0.514 nan 8.230 nan 0.000 0.491 193 S N 0.593 116.298 115.700 0.007 0.000 2.399 193 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 193 S C 2.007 176.513 174.600 -0.158 0.000 1.022 193 S CA 1.459 59.608 58.200 -0.085 0.000 0.983 193 S CB -0.253 62.919 63.200 -0.046 0.000 0.803 193 S HN 0.622 nan 8.310 nan 0.000 0.480 194 A N 1.099 123.868 122.820 -0.085 0.000 1.897 194 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 194 A C 1.888 179.428 177.584 -0.073 0.000 1.181 194 A CA 1.367 53.355 52.037 -0.082 0.000 0.620 194 A CB -0.691 18.283 19.000 -0.044 0.000 0.821 194 A HN 0.664 nan 8.150 nan 0.000 0.443 195 E N -0.233 119.939 120.200 -0.045 0.000 2.219 195 E HA -0.201 4.148 4.350 -0.000 0.000 0.198 195 E C 1.791 178.362 176.600 -0.050 0.000 0.998 195 E CA 1.195 57.575 56.400 -0.033 0.000 0.818 195 E CB -0.284 29.411 29.700 -0.009 0.000 0.741 195 E HN 0.646 nan 8.360 nan 0.000 0.477 196 L N -0.750 120.419 121.223 -0.089 0.000 2.102 196 L HA 0.061 4.401 4.340 -0.000 0.000 0.202 196 L C 1.579 178.354 176.870 -0.158 0.000 1.076 196 L CA 0.537 55.305 54.840 -0.121 0.000 0.761 196 L CB -0.325 41.623 42.059 -0.186 0.000 0.921 196 L HN 0.253 nan 8.230 nan 0.000 0.444 197 G N 0.646 109.320 108.800 -0.210 0.000 2.356 197 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.296 197 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.296 197 G C 0.551 175.340 174.900 -0.185 0.000 1.022 197 G CA 0.806 45.799 45.100 -0.178 0.000 0.961 197 G HN 0.510 nan 8.290 nan 0.000 0.510 198 E N -1.638 118.359 120.200 -0.337 0.000 2.372 198 E HA 0.368 4.718 4.350 -0.000 0.000 0.201 198 E C 0.583 177.147 176.600 -0.060 0.000 0.938 198 E CA 0.626 56.912 56.400 -0.189 0.000 0.944 198 E CB 0.436 30.074 29.700 -0.103 0.000 0.937 198 E HN 0.795 nan 8.360 nan 0.000 0.495 199 F N -1.075 118.863 119.950 -0.019 0.000 2.693 199 F HA 0.561 5.088 4.527 -0.000 0.000 0.309 199 F C -3.041 172.733 175.800 -0.043 0.000 1.129 199 F CA -3.058 54.918 58.000 -0.040 0.000 0.948 199 F CB 0.175 39.138 39.000 -0.063 0.000 1.315 199 F HN -0.322 nan 8.300 nan 0.000 0.447 200 P HA 0.427 nan 4.420 nan 0.000 0.275 200 P C -1.018 176.367 177.300 0.142 0.000 1.227 200 P CA -0.177 62.974 63.100 0.086 0.000 0.781 200 P CB 1.313 33.041 31.700 0.046 0.000 0.906 201 T N 1.095 115.693 114.554 0.073 0.000 3.109 201 T HA 0.476 4.826 4.350 -0.000 0.000 0.311 201 T C -0.547 174.170 174.700 0.028 0.000 1.011 201 T CA -0.548 61.600 62.100 0.080 0.000 1.026 201 T CB 1.068 69.988 68.868 0.088 0.000 1.047 201 T HN 0.349 nan 8.240 nan 0.000 0.448 202 V N 1.416 121.339 119.914 0.015 0.000 2.960 202 V HA 0.978 5.098 4.120 -0.000 0.000 0.315 202 V C -0.152 175.933 176.094 -0.014 0.000 1.087 202 V CA -1.007 61.290 62.300 -0.004 0.000 0.982 202 V CB 1.843 33.658 31.823 -0.012 0.000 1.039 202 V HN 0.799 nan 8.190 nan 0.000 0.437 203 V N 1.357 121.256 119.914 -0.024 0.000 2.532 203 V HA 1.077 5.197 4.120 -0.000 0.000 0.295 203 V C 0.224 176.286 176.094 -0.054 0.000 1.041 203 V CA 0.798 63.078 62.300 -0.032 0.000 0.926 203 V CB 0.690 32.498 31.823 -0.026 0.000 0.992 203 V HN 1.938 nan 8.190 nan 0.000 0.457 204 G N 3.237 112.001 108.800 -0.061 0.000 2.548 204 G HA2 0.390 4.350 3.960 -0.000 0.000 0.301 204 G HA3 0.390 4.350 3.960 -0.000 0.000 0.301 204 G C -1.582 173.271 174.900 -0.078 0.000 1.349 204 G CA -1.123 43.923 45.100 -0.090 0.000 0.792 204 G HN 0.771 nan 8.290 nan 0.000 0.481 205 N N 0.042 118.684 118.700 -0.097 0.000 2.530 205 N HA 0.587 5.327 4.740 -0.000 0.000 0.277 205 N C -0.412 175.058 175.510 -0.066 0.000 1.168 205 N CA 0.126 53.132 53.050 -0.073 0.000 0.979 205 N CB 1.461 39.899 38.487 -0.081 0.000 1.141 205 N HN 0.373 nan 8.380 nan 0.000 0.459 206 T N 1.428 115.961 114.554 -0.036 0.000 2.797 206 T HA 0.349 4.699 4.350 -0.000 0.000 0.279 206 T C 0.099 174.803 174.700 0.006 0.000 0.991 206 T CA -0.511 61.574 62.100 -0.025 0.000 0.979 206 T CB 0.817 69.671 68.868 -0.023 0.000 0.943 206 T HN 0.302 nan 8.240 nan 0.000 0.444 207 M N 3.667 123.276 119.600 0.016 0.000 2.113 207 M HA 0.488 4.968 4.480 -0.000 0.000 0.352 207 M C -0.622 175.718 176.300 0.065 0.000 1.170 207 M CA -0.596 54.746 55.300 0.070 0.000 1.053 207 M CB 0.257 32.920 32.600 0.106 0.000 1.601 207 M HN 0.752 nan 8.290 nan 0.000 0.459 208 C N 5.977 125.325 119.300 0.079 0.000 2.281 208 C HA 0.847 5.307 4.460 -0.000 0.000 0.325 208 C C 0.352 175.397 174.990 0.091 0.000 1.282 208 C CA -0.090 58.970 59.018 0.069 0.000 1.640 208 C CB 0.324 28.097 27.740 0.055 0.000 2.288 208 C HN 0.990 nan 8.230 nan 0.000 0.507 209 T N 3.433 118.038 114.554 0.085 0.000 2.927 209 T HA 0.531 4.881 4.350 -0.000 0.000 0.286 209 T C 0.364 175.123 174.700 0.099 0.000 1.040 209 T CA -0.763 61.392 62.100 0.092 0.000 1.010 209 T CB 1.288 70.205 68.868 0.082 0.000 1.177 209 T HN 0.620 nan 8.240 nan 0.000 0.546 210 L N -0.159 121.123 121.223 0.098 0.000 2.693 210 L HA 0.461 4.801 4.340 -0.000 0.000 0.235 210 L C 0.017 176.957 176.870 0.117 0.000 1.127 210 L CA 0.044 54.946 54.840 0.104 0.000 0.914 210 L CB 0.264 42.377 42.059 0.091 0.000 1.193 210 L HN 0.716 nan 8.230 nan 0.000 0.502 211 D N -1.747 118.728 120.400 0.125 0.000 2.857 211 D HA 0.142 4.782 4.640 -0.000 0.000 0.227 211 D C -0.056 176.352 176.300 0.180 0.000 1.192 211 D CA -0.581 53.520 54.000 0.168 0.000 0.857 211 D CB 1.731 42.624 40.800 0.155 0.000 1.645 211 D HN -0.057 nan 8.370 nan 0.000 0.482 212 F N 2.526 122.504 119.950 0.046 0.000 2.569 212 F HA 0.184 4.711 4.527 -0.000 0.000 0.295 212 F C 0.157 175.811 175.800 -0.243 0.000 1.115 212 F CA 0.838 58.774 58.000 -0.108 0.000 1.450 212 F CB 0.145 39.041 39.000 -0.173 0.000 1.107 212 F HN 0.426 nan 8.300 nan 0.000 0.563 213 Y N 0.395 120.845 120.300 0.251 0.000 2.344 213 Y HA 0.118 4.668 4.550 -0.000 0.000 0.261 213 Y C 2.418 178.398 175.900 0.133 0.000 1.080 213 Y CA 1.001 59.207 58.100 0.176 0.000 1.151 213 Y CB -0.895 37.688 38.460 0.205 0.000 1.059 213 Y HN -0.204 nan 8.280 nan 0.000 0.490 214 E N 0.016 120.410 120.200 0.322 0.000 2.150 214 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 214 E C 2.233 178.908 176.600 0.126 0.000 0.985 214 E CA 0.868 57.425 56.400 0.261 0.000 0.814 214 E CB -0.436 29.398 29.700 0.223 0.000 0.752 214 E HN 0.599 nan 8.360 nan 0.000 0.466 215 G N 0.743 109.610 108.800 0.112 0.000 2.535 215 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 215 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 215 G C 1.130 176.050 174.900 0.033 0.000 1.122 215 G CA 0.448 45.584 45.100 0.059 0.000 0.769 215 G HN 0.216 nan 8.290 nan 0.000 0.549 216 Q N -1.182 118.628 119.800 0.017 0.000 2.089 216 Q HA 0.331 4.670 4.340 -0.000 0.000 0.248 216 Q C 1.222 177.251 176.000 0.049 0.000 0.828 216 Q CA 0.080 55.887 55.803 0.007 0.000 1.102 216 Q CB 1.138 29.783 28.738 -0.154 0.000 1.221 216 Q HN 0.353 nan 8.270 nan 0.000 0.455 217 G N 1.825 110.651 108.800 0.043 0.000 2.175 217 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.265 217 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.265 217 G C 0.250 175.314 174.900 0.273 0.000 0.979 217 G CA 0.228 45.371 45.100 0.072 0.000 0.663 217 G HN 0.263 nan 8.290 nan 0.000 0.533 218 R N -0.706 119.920 120.500 0.210 0.000 2.679 218 R HA 0.404 4.744 4.340 -0.000 0.000 0.268 218 R C 1.392 177.830 176.300 0.230 0.000 1.044 218 R CA -0.003 56.206 56.100 0.182 0.000 1.105 218 R CB 0.270 30.632 30.300 0.103 0.000 0.989 218 R HN 0.265 nan 8.270 nan 0.000 0.447 219 L N 1.815 123.120 121.223 0.136 0.000 2.640 219 L HA 0.058 4.398 4.340 -0.000 0.000 0.230 219 L C 0.593 177.481 176.870 0.030 0.000 1.123 219 L CA 0.211 55.057 54.840 0.010 0.000 0.900 219 L CB 0.105 42.169 42.059 0.008 0.000 1.146 219 L HN 0.681 nan 8.230 nan 0.000 0.484 220 D N -0.637 119.852 120.400 0.148 0.000 2.593 220 D HA 0.119 4.759 4.640 -0.000 0.000 0.241 220 D C 0.721 177.076 176.300 0.092 0.000 1.257 220 D CA -0.141 53.942 54.000 0.138 0.000 0.828 220 D CB 0.250 41.161 40.800 0.184 0.000 1.049 220 D HN 0.036 nan 8.370 nan 0.000 0.490 221 G N -0.061 108.763 108.800 0.040 0.000 2.494 221 G HA2 0.424 4.383 3.960 -0.000 0.000 0.270 221 G HA3 0.424 4.383 3.960 -0.000 0.000 0.270 221 G C 0.870 175.649 174.900 -0.201 0.000 1.423 221 G CA -0.043 44.893 45.100 -0.273 0.000 1.055 221 G HN 0.188 nan 8.290 nan 0.000 0.536 222 A N -1.518 121.184 122.820 -0.197 0.000 2.081 222 A HA 0.483 4.803 4.320 -0.000 0.000 0.214 222 A C 0.783 178.322 177.584 -0.076 0.000 1.158 222 A CA 0.453 52.418 52.037 -0.120 0.000 0.724 222 A CB -0.243 18.692 19.000 -0.108 0.000 0.826 222 A HN 0.353 nan 8.150 nan 0.000 0.463 223 L N -1.718 119.470 121.223 -0.059 0.000 2.381 223 L HA 0.634 4.974 4.340 -0.000 0.000 0.268 223 L C -0.959 175.880 176.870 -0.051 0.000 0.997 223 L CA -0.818 53.999 54.840 -0.038 0.000 0.818 223 L CB 2.218 44.274 42.059 -0.005 0.000 1.310 223 L HN 0.076 nan 8.230 nan 0.000 0.416 224 C N 1.322 120.561 119.300 -0.101 0.000 3.072 224 C HA 0.251 4.711 4.460 -0.000 0.000 0.400 224 C C 0.592 175.430 174.990 -0.254 0.000 1.075 224 C CA -0.474 58.388 59.018 -0.261 0.000 1.272 224 C CB 0.582 28.074 27.740 -0.414 0.000 1.670 224 C HN 0.927 nan 8.230 nan 0.000 0.516 225 S N 3.224 118.857 115.700 -0.111 0.000 2.618 225 S HA 0.416 4.886 4.470 -0.000 0.000 0.242 225 S C -0.255 174.385 174.600 0.068 0.000 0.972 225 S CA -0.232 57.960 58.200 -0.012 0.000 1.004 225 S CB -0.492 62.741 63.200 0.054 0.000 0.778 225 S HN 1.148 nan 8.310 nan 0.000 0.459 226 Y N -1.293 119.006 120.300 -0.001 0.000 2.638 226 Y HA 0.832 5.382 4.550 -0.000 0.000 0.339 226 Y C -0.116 175.790 175.900 0.009 0.000 1.084 226 Y CA -1.128 56.972 58.100 -0.001 0.000 1.068 226 Y CB 0.434 38.887 38.460 -0.012 0.000 1.294 226 Y HN 0.086 nan 8.280 nan 0.000 0.480 227 T N -2.697 111.981 114.554 0.206 0.000 2.923 227 T HA 0.272 4.622 4.350 -0.000 0.000 0.281 227 T C 0.711 175.515 174.700 0.172 0.000 0.995 227 T CA -0.016 62.152 62.100 0.114 0.000 0.985 227 T CB 1.746 70.663 68.868 0.081 0.000 1.114 227 T HN 0.895 nan 8.240 nan 0.000 0.548 228 E N 0.737 120.997 120.200 0.101 0.000 2.085 228 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 228 E C 2.043 178.704 176.600 0.100 0.000 0.994 228 E CA 1.761 58.222 56.400 0.102 0.000 0.801 228 E CB -0.325 29.412 29.700 0.060 0.000 0.743 228 E HN 0.741 nan 8.360 nan 0.000 0.453 229 K N -0.045 120.404 120.400 0.080 0.000 2.113 229 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 229 K C 1.305 177.956 176.600 0.084 0.000 1.047 229 K CA 1.864 58.193 56.287 0.069 0.000 0.928 229 K CB -0.181 32.351 32.500 0.054 0.000 0.716 229 K HN 0.183 nan 8.250 nan 0.000 0.446 230 D N 0.579 121.045 120.400 0.110 0.000 2.144 230 D HA -0.171 4.469 4.640 -0.000 0.000 0.200 230 D C 1.795 178.151 176.300 0.094 0.000 0.978 230 D CA 1.030 55.089 54.000 0.098 0.000 0.833 230 D CB -0.096 40.775 40.800 0.117 0.000 0.961 230 D HN 0.363 nan 8.370 nan 0.000 0.470 231 K N 0.610 121.099 120.400 0.148 0.000 2.097 231 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 231 K C 1.898 178.582 176.600 0.139 0.000 1.049 231 K CA 1.022 57.399 56.287 0.150 0.000 0.933 231 K CB 0.190 32.818 32.500 0.214 0.000 0.717 231 K HN -0.038 nan 8.250 nan 0.000 0.442 232 Q N 1.118 120.980 119.800 0.102 0.000 2.016 232 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 232 Q C 1.841 177.880 176.000 0.065 0.000 0.978 232 Q CA 1.522 57.363 55.803 0.064 0.000 0.833 232 Q CB -0.441 28.322 28.738 0.042 0.000 0.895 232 Q HN 0.435 nan 8.270 nan 0.000 0.427 233 D N 0.049 120.498 120.400 0.080 0.000 2.126 233 D HA -0.199 4.441 4.640 -0.000 0.000 0.190 233 D C 1.824 178.198 176.300 0.124 0.000 1.001 233 D CA 1.254 55.305 54.000 0.085 0.000 0.841 233 D CB -0.490 40.362 40.800 0.086 0.000 0.949 233 D HN 0.265 nan 8.370 nan 0.000 0.446 234 Y N 1.138 121.455 120.300 0.028 0.000 2.145 234 Y HA -0.111 4.439 4.550 -0.000 0.000 0.286 234 Y C 2.266 178.222 175.900 0.094 0.000 1.145 234 Y CA 1.239 59.376 58.100 0.062 0.000 1.148 234 Y CB -0.478 37.982 38.460 -0.000 0.000 0.981 234 Y HN -0.064 nan 8.280 nan 0.000 0.507 235 L N -0.190 121.024 121.223 -0.015 0.000 2.141 235 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 235 L C 2.461 179.262 176.870 -0.115 0.000 1.094 235 L CA 1.347 56.120 54.840 -0.112 0.000 0.763 235 L CB -0.375 41.680 42.059 -0.006 0.000 0.908 235 L HN 0.254 nan 8.230 nan 0.000 0.437 236 R N -0.317 120.146 120.500 -0.063 0.000 2.080 236 R HA 0.006 4.346 4.340 -0.000 0.000 0.222 236 R C 2.449 178.724 176.300 -0.043 0.000 1.107 236 R CA 1.005 57.077 56.100 -0.047 0.000 0.980 236 R CB -0.468 29.809 30.300 -0.038 0.000 0.879 236 R HN 0.238 nan 8.270 nan 0.000 0.439 237 A N 1.894 124.685 122.820 -0.047 0.000 1.958 237 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 237 A C 2.407 179.826 177.584 -0.276 0.000 1.178 237 A CA 2.023 54.032 52.037 -0.047 0.000 0.642 237 A CB -0.668 18.386 19.000 0.090 0.000 0.816 237 A HN 0.421 nan 8.150 nan 0.000 0.453 238 A N -1.782 120.748 122.820 -0.484 0.000 1.873 238 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 238 A C 2.140 179.393 177.584 -0.551 0.000 1.186 238 A CA 1.569 53.015 52.037 -0.986 0.000 0.616 238 A CB -0.846 17.698 19.000 -0.760 0.000 0.823 238 A HN 0.718 nan 8.150 nan 0.000 0.442 239 Y N 0.760 120.836 120.300 -0.374 0.000 2.165 239 Y HA -0.171 4.379 4.550 -0.000 0.000 0.286 239 Y C 2.588 178.355 175.900 -0.221 0.000 1.155 239 Y CA 1.412 59.364 58.100 -0.248 0.000 1.164 239 Y CB -0.365 37.995 38.460 -0.166 0.000 0.978 239 Y HN 0.311 nan 8.280 nan 0.000 0.513 240 A N -0.006 122.772 122.820 -0.070 0.000 2.019 240 A HA -0.007 4.313 4.320 -0.000 0.000 0.219 240 A C 2.103 179.576 177.584 -0.186 0.000 1.164 240 A CA 1.382 53.365 52.037 -0.089 0.000 0.644 240 A CB -1.157 17.826 19.000 -0.029 0.000 0.805 240 A HN 0.540 nan 8.150 nan 0.000 0.449 241 A N -1.763 120.881 122.820 -0.294 0.000 2.302 241 A HA 0.445 4.765 4.320 -0.000 0.000 0.219 241 A C 1.595 179.017 177.584 -0.271 0.000 1.243 241 A CA 1.000 52.871 52.037 -0.277 0.000 0.856 241 A CB -0.937 17.816 19.000 -0.412 0.000 0.893 241 A HN 1.800 nan 8.150 nan 0.000 0.491 242 G N -0.725 107.883 108.800 -0.321 0.000 2.157 242 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.239 242 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.239 242 G C 0.075 174.791 174.900 -0.307 0.000 0.982 242 G CA 0.139 45.057 45.100 -0.303 0.000 0.650 242 G HN 0.464 nan 8.290 nan 0.000 0.527 243 I N 0.540 120.900 120.570 -0.350 0.000 2.416 243 I HA 0.363 4.533 4.170 -0.000 0.000 0.288 243 I C 1.423 177.406 176.117 -0.222 0.000 1.051 243 I CA -0.654 60.484 61.300 -0.270 0.000 1.375 243 I CB 1.093 38.901 38.000 -0.321 0.000 1.407 243 I HN -0.038 nan 8.210 nan 0.000 0.516 244 R N 3.800 124.215 120.500 -0.141 0.000 2.342 244 R HA 0.196 4.536 4.340 -0.000 0.000 0.204 244 R C -0.045 176.240 176.300 -0.026 0.000 0.882 244 R CA 0.208 56.267 56.100 -0.068 0.000 1.041 244 R CB -0.002 30.248 30.300 -0.084 0.000 1.188 244 R HN 0.769 nan 8.270 nan 0.000 0.598 245 N N 0.141 118.814 118.700 -0.045 0.000 2.902 245 N HA 0.381 5.121 4.740 -0.000 0.000 0.268 245 N C -0.899 174.591 175.510 -0.034 0.000 1.450 245 N CA -0.692 52.337 53.050 -0.036 0.000 0.819 245 N CB 1.568 40.032 38.487 -0.039 0.000 1.540 245 N HN -0.141 nan 8.380 nan 0.000 0.545 246 I N -0.199 120.353 120.570 -0.031 0.000 2.586 246 I HA 0.330 4.500 4.170 -0.000 0.000 0.288 246 I C -0.930 175.176 176.117 -0.018 0.000 1.147 246 I CA -0.562 60.725 61.300 -0.022 0.000 1.047 246 I CB 1.954 39.933 38.000 -0.034 0.000 1.244 246 I HN 0.760 nan 8.210 nan 0.000 0.429 247 E N 5.180 125.382 120.200 0.002 0.000 2.359 247 E HA 0.627 4.977 4.350 -0.000 0.000 0.223 247 E C -0.667 175.959 176.600 0.043 0.000 0.877 247 E CA -0.793 55.621 56.400 0.023 0.000 0.887 247 E CB 1.371 31.076 29.700 0.008 0.000 1.890 247 E HN 0.464 nan 8.360 nan 0.000 0.419 248 M N -0.559 119.072 119.600 0.051 0.000 2.540 248 M HA 0.350 4.830 4.480 -0.000 0.000 0.404 248 M C -0.423 175.896 176.300 0.032 0.000 1.133 248 M CA 0.201 55.540 55.300 0.065 0.000 0.900 248 M CB 0.833 33.497 32.600 0.107 0.000 1.540 248 M HN 0.465 nan 8.290 nan 0.000 0.539 249 E N -0.176 120.014 120.200 -0.017 0.000 2.603 249 E HA 0.320 4.670 4.350 -0.000 0.000 0.218 249 E C 1.682 178.221 176.600 -0.101 0.000 0.878 249 E CA 0.468 56.816 56.400 -0.087 0.000 1.348 249 E CB 0.200 29.789 29.700 -0.185 0.000 1.318 249 E HN 0.309 nan 8.360 nan 0.000 0.673 250 A N 0.740 123.518 122.820 -0.070 0.000 1.940 250 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 250 A C 2.189 179.763 177.584 -0.016 0.000 1.176 250 A CA 2.098 54.112 52.037 -0.039 0.000 0.631 250 A CB -0.661 18.323 19.000 -0.026 0.000 0.814 250 A HN 0.182 nan 8.150 nan 0.000 0.446 251 S N -0.496 115.167 115.700 -0.061 0.000 2.354 251 S HA -0.182 4.288 4.470 -0.000 0.000 0.219 251 S C 2.057 176.399 174.600 -0.430 0.000 1.035 251 S CA 1.975 60.097 58.200 -0.130 0.000 1.037 251 S CB -0.770 62.428 63.200 -0.003 0.000 0.956 251 S HN 0.611 nan 8.310 nan 0.000 0.428 252 V N 0.650 120.157 119.914 -0.677 0.000 2.287 252 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 252 V C 1.915 177.772 176.094 -0.395 0.000 1.053 252 V CA 2.005 63.785 62.300 -0.867 0.000 1.027 252 V CB -1.297 30.174 31.823 -0.587 0.000 0.646 252 V HN 0.424 nan 8.190 nan 0.000 0.447 253 F N 2.179 121.918 119.950 -0.351 0.000 2.065 253 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 253 F C 2.478 178.156 175.800 -0.204 0.000 1.112 253 F CA 1.977 59.826 58.000 -0.252 0.000 1.212 253 F CB -0.836 38.035 39.000 -0.215 0.000 0.975 253 F HN 0.124 nan 8.300 nan 0.000 0.476 254 A N 0.333 123.111 122.820 -0.070 0.000 1.873 254 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 254 A C 2.427 179.901 177.584 -0.182 0.000 1.193 254 A CA 2.441 54.404 52.037 -0.123 0.000 0.629 254 A CB -1.711 17.274 19.000 -0.025 0.000 0.826 254 A HN 0.577 nan 8.150 nan 0.000 0.447 255 A N -0.982 121.723 122.820 -0.191 0.000 1.902 255 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 255 A C 2.299 179.796 177.584 -0.145 0.000 1.181 255 A CA 1.917 53.881 52.037 -0.122 0.000 0.623 255 A CB -0.498 18.450 19.000 -0.088 0.000 0.818 255 A HN 0.546 nan 8.150 nan 0.000 0.443 256 M N -1.219 118.238 119.600 -0.238 0.000 2.156 256 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 256 M C 2.334 178.482 176.300 -0.253 0.000 1.067 256 M CA 1.152 56.307 55.300 -0.241 0.000 1.131 256 M CB -0.472 31.942 32.600 -0.310 0.000 1.368 256 M HN 0.553 nan 8.290 nan 0.000 0.416 257 C N 0.600 119.697 119.300 -0.340 0.000 2.429 257 C HA -0.111 4.349 4.460 -0.000 0.000 0.277 257 C C 2.397 177.265 174.990 -0.204 0.000 1.262 257 C CA 0.873 59.697 59.018 -0.323 0.000 1.733 257 C CB -1.472 25.978 27.740 -0.483 0.000 2.010 257 C HN 0.565 nan 8.230 nan 0.000 0.483 258 N N 1.522 120.119 118.700 -0.173 0.000 2.104 258 N HA -0.088 4.652 4.740 -0.000 0.000 0.190 258 N C 1.818 177.278 175.510 -0.083 0.000 1.024 258 N CA 1.763 54.750 53.050 -0.105 0.000 0.853 258 N CB -0.609 37.832 38.487 -0.076 0.000 1.008 258 N HN 0.542 nan 8.380 nan 0.000 0.424 259 A N -0.619 122.148 122.820 -0.088 0.000 2.019 259 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 259 A C 2.013 179.555 177.584 -0.070 0.000 1.164 259 A CA 1.158 53.157 52.037 -0.064 0.000 0.644 259 A CB -0.480 18.484 19.000 -0.060 0.000 0.805 259 A HN 0.456 nan 8.150 nan 0.000 0.449 260 C N -1.819 117.425 119.300 -0.094 0.000 3.183 260 C HA 0.498 4.958 4.460 -0.000 0.000 0.285 260 C C 1.654 176.601 174.990 -0.072 0.000 1.313 260 C CA -0.100 58.866 59.018 -0.086 0.000 1.711 260 C CB -0.778 26.895 27.740 -0.111 0.000 2.135 260 C HN 1.084 nan 8.230 nan 0.000 0.651 261 G N 1.817 110.573 108.800 -0.073 0.000 2.272 261 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.280 261 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.280 261 G C -0.301 174.559 174.900 -0.067 0.000 1.067 261 G CA -0.027 45.038 45.100 -0.059 0.000 0.902 261 G HN 0.549 nan 8.290 nan 0.000 0.500 262 L N 0.126 121.291 121.223 -0.097 0.000 2.309 262 L HA 0.512 4.852 4.340 -0.000 0.000 0.282 262 L C 1.062 177.872 176.870 -0.100 0.000 1.036 262 L CA -1.129 53.650 54.840 -0.101 0.000 0.806 262 L CB 1.189 43.166 42.059 -0.136 0.000 1.220 262 L HN 0.084 nan 8.230 nan 0.000 0.429 263 R N 2.709 123.172 120.500 -0.062 0.000 2.351 263 R HA 0.497 4.837 4.340 -0.000 0.000 0.318 263 R C -0.453 175.820 176.300 -0.045 0.000 1.055 263 R CA -0.071 56.006 56.100 -0.037 0.000 0.968 263 R CB 0.780 31.083 30.300 0.005 0.000 0.974 263 R HN 0.688 nan 8.270 nan 0.000 0.439 264 A N 1.835 124.618 122.820 -0.062 0.000 2.498 264 A HA 0.857 5.177 4.320 -0.000 0.000 0.298 264 A C -1.309 176.317 177.584 0.069 0.000 1.075 264 A CA -0.481 51.535 52.037 -0.035 0.000 0.714 264 A CB 2.135 20.947 19.000 -0.314 0.000 1.299 264 A HN 0.696 nan 8.150 nan 0.000 0.407 265 A N 0.027 122.964 122.820 0.195 0.000 2.587 265 A HA 0.780 5.100 4.320 -0.000 0.000 0.293 265 A C -1.504 176.149 177.584 0.115 0.000 1.087 265 A CA -0.505 51.601 52.037 0.115 0.000 0.692 265 A CB 1.491 20.472 19.000 -0.032 0.000 1.291 265 A HN 1.543 nan 8.150 nan 0.000 0.407 266 V N 0.840 120.754 119.914 0.000 0.000 2.483 266 V HA 0.559 4.679 4.120 -0.000 0.000 0.297 266 V C -0.889 175.142 176.094 -0.106 0.000 1.027 266 V CA -0.493 61.733 62.300 -0.123 0.000 0.855 266 V CB 1.583 33.326 31.823 -0.134 0.000 0.995 266 V HN 0.713 nan 8.190 nan 0.000 0.424 267 V N 3.893 123.728 119.914 -0.133 0.000 2.357 267 V HA 0.404 4.524 4.120 -0.000 0.000 0.281 267 V C -0.330 175.694 176.094 -0.116 0.000 1.015 267 V CA -0.325 61.914 62.300 -0.102 0.000 0.827 267 V CB 1.295 33.065 31.823 -0.089 0.000 1.018 267 V HN 0.982 nan 8.190 nan 0.000 0.432 268 C N 3.857 123.097 119.300 -0.101 0.000 2.456 268 C HA 0.714 5.174 4.460 -0.000 0.000 0.325 268 C C 0.396 175.320 174.990 -0.111 0.000 1.217 268 C CA -0.831 58.125 59.018 -0.104 0.000 1.687 268 C CB 1.712 29.401 27.740 -0.084 0.000 2.270 268 C HN 0.660 nan 8.230 nan 0.000 0.499 269 V N 3.418 123.251 119.914 -0.135 0.000 2.607 269 V HA 0.608 4.728 4.120 -0.000 0.000 0.289 269 V C 0.537 176.560 176.094 -0.118 0.000 1.053 269 V CA 0.283 62.480 62.300 -0.171 0.000 0.996 269 V CB 1.892 33.577 31.823 -0.230 0.000 0.995 269 V HN 1.082 nan 8.190 nan 0.000 0.476 270 T N 4.832 119.307 114.554 -0.131 0.000 2.882 270 T HA 0.433 4.783 4.350 -0.000 0.000 0.287 270 T C 0.628 175.300 174.700 -0.047 0.000 0.992 270 T CA -0.533 61.522 62.100 -0.076 0.000 1.076 270 T CB 1.152 69.978 68.868 -0.069 0.000 0.961 270 T HN 0.561 nan 8.240 nan 0.000 0.490 271 L N 2.537 123.784 121.223 0.041 0.000 2.616 271 L HA 0.452 4.792 4.340 -0.000 0.000 0.229 271 L C 0.298 177.255 176.870 0.145 0.000 1.110 271 L CA -0.130 54.801 54.840 0.152 0.000 0.884 271 L CB -0.220 41.913 42.059 0.123 0.000 1.115 271 L HN 0.705 nan 8.230 nan 0.000 0.481 272 L N -4.638 116.629 121.223 0.073 0.000 2.866 272 L HA 0.501 4.841 4.340 -0.000 0.000 0.262 272 L C -1.540 175.340 176.870 0.017 0.000 0.986 272 L CA -0.937 53.938 54.840 0.058 0.000 0.925 272 L CB 1.545 43.635 42.059 0.051 0.000 1.484 272 L HN -0.289 nan 8.230 nan 0.000 0.414 273 N N 1.380 120.087 118.700 0.012 0.000 2.426 273 N HA 0.367 5.107 4.740 -0.000 0.000 0.257 273 N C 0.419 175.921 175.510 -0.013 0.000 1.002 273 N CA -0.491 52.554 53.050 -0.009 0.000 0.942 273 N CB 1.298 39.777 38.487 -0.014 0.000 1.112 273 N HN 0.640 nan 8.380 nan 0.000 0.499 274 R N 3.038 123.524 120.500 -0.023 0.000 2.189 274 R HA 0.074 4.414 4.340 -0.000 0.000 0.223 274 R C 1.089 177.380 176.300 -0.015 0.000 1.092 274 R CA 0.556 56.643 56.100 -0.022 0.000 0.989 274 R CB -0.345 29.936 30.300 -0.032 0.000 0.876 274 R HN 0.643 nan 8.270 nan 0.000 0.457 275 L N 0.837 122.041 121.223 -0.031 0.000 2.610 275 L HA -0.019 4.321 4.340 -0.000 0.000 0.232 275 L C 1.281 178.139 176.870 -0.021 0.000 1.149 275 L CA 0.794 55.612 54.840 -0.035 0.000 0.872 275 L CB -0.064 41.948 42.059 -0.078 0.000 0.992 275 L HN 0.028 nan 8.230 nan 0.000 0.447 276 E N -0.431 119.763 120.200 -0.011 0.000 2.541 276 E HA 0.316 4.666 4.350 -0.000 0.000 0.219 276 E C 0.801 177.408 176.600 0.011 0.000 0.922 276 E CA 0.393 56.792 56.400 -0.002 0.000 1.095 276 E CB 1.656 31.354 29.700 -0.004 0.000 1.112 276 E HN 0.326 nan 8.360 nan 0.000 0.516 277 G N 0.206 109.014 108.800 0.014 0.000 2.550 277 G HA2 0.316 4.276 3.960 -0.000 0.000 0.293 277 G HA3 0.316 4.276 3.960 -0.000 0.000 0.293 277 G C -0.924 173.990 174.900 0.024 0.000 1.402 277 G CA -0.418 44.697 45.100 0.025 0.000 0.784 277 G HN -0.189 nan 8.290 nan 0.000 0.482 278 D N -0.974 119.449 120.400 0.038 0.000 2.403 278 D HA 0.115 4.755 4.640 -0.000 0.000 0.280 278 D C 0.619 176.957 176.300 0.064 0.000 1.091 278 D CA 0.444 54.465 54.000 0.034 0.000 0.884 278 D CB 0.750 41.591 40.800 0.068 0.000 1.427 278 D HN 0.343 nan 8.370 nan 0.000 0.504 279 Q N 0.701 120.552 119.800 0.085 0.000 2.230 279 Q HA 0.461 4.801 4.340 -0.000 0.000 0.248 279 Q C -0.006 176.048 176.000 0.090 0.000 0.915 279 Q CA -0.272 55.597 55.803 0.110 0.000 0.900 279 Q CB 2.459 31.258 28.738 0.102 0.000 1.229 279 Q HN 0.084 nan 8.270 nan 0.000 0.439 280 I N 1.938 122.570 120.570 0.103 0.000 2.317 280 I HA 0.045 4.215 4.170 -0.000 0.000 0.286 280 I C 0.521 176.672 176.117 0.056 0.000 1.119 280 I CA 0.014 61.364 61.300 0.083 0.000 1.228 280 I CB 0.215 38.278 38.000 0.103 0.000 1.476 280 I HN 0.520 nan 8.210 nan 0.000 0.514 281 S N 0.821 116.547 115.700 0.043 0.000 2.575 281 S HA 0.234 4.704 4.470 -0.000 0.000 0.237 281 S C 0.573 175.178 174.600 0.007 0.000 0.975 281 S CA -0.610 57.607 58.200 0.028 0.000 0.960 281 S CB -0.013 63.206 63.200 0.031 0.000 0.822 281 S HN 0.398 nan 8.310 nan 0.000 0.472 282 S N 4.147 119.839 115.700 -0.012 0.000 2.572 282 S HA 0.341 4.811 4.470 -0.000 0.000 0.279 282 S C -2.198 172.366 174.600 -0.059 0.000 1.341 282 S CA -0.590 57.574 58.200 -0.059 0.000 1.043 282 S CB 0.017 63.132 63.200 -0.141 0.000 0.887 282 S HN 0.312 nan 8.310 nan 0.000 0.516 283 P HA -0.043 nan 4.420 nan 0.000 0.266 283 P C 0.946 178.219 177.300 -0.046 0.000 1.186 283 P CA 0.095 63.174 63.100 -0.034 0.000 0.767 283 P CB 0.278 31.950 31.700 -0.046 0.000 0.820 284 H N 2.265 121.289 119.070 -0.078 0.000 2.387 284 H HA -0.161 4.394 4.556 -0.000 0.000 0.299 284 H C 0.713 175.983 175.328 -0.097 0.000 1.090 284 H CA 1.804 57.805 56.048 -0.079 0.000 1.332 284 H CB 0.128 29.859 29.762 -0.051 0.000 1.386 284 H HN 0.332 nan 8.280 nan 0.000 0.516 285 D N 0.249 120.603 120.400 -0.078 0.000 2.144 285 D HA -0.113 4.527 4.640 -0.000 0.000 0.199 285 D C 2.468 178.640 176.300 -0.214 0.000 0.984 285 D CA 0.833 54.759 54.000 -0.123 0.000 0.834 285 D CB -0.116 40.665 40.800 -0.032 0.000 0.955 285 D HN 0.248 nan 8.370 nan 0.000 0.465 286 V N 0.864 120.627 119.914 -0.253 0.000 2.358 286 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 286 V C 2.566 178.275 176.094 -0.641 0.000 1.047 286 V CA 0.960 63.015 62.300 -0.408 0.000 1.035 286 V CB -0.348 31.212 31.823 -0.438 0.000 0.658 286 V HN 0.198 nan 8.190 nan 0.000 0.452 287 L N 0.106 121.015 121.223 -0.524 0.000 2.141 287 L HA -0.086 4.253 4.340 -0.000 0.000 0.209 287 L C 2.584 179.282 176.870 -0.285 0.000 1.094 287 L CA 1.320 55.907 54.840 -0.421 0.000 0.763 287 L CB -0.632 41.270 42.059 -0.263 0.000 0.908 287 L HN 0.363 nan 8.230 nan 0.000 0.437 288 A N -0.913 121.693 122.820 -0.356 0.000 2.067 288 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 288 A C 2.278 179.772 177.584 -0.150 0.000 1.156 288 A CA 0.942 52.822 52.037 -0.261 0.000 0.683 288 A CB -0.203 18.599 19.000 -0.329 0.000 0.808 288 A HN 0.277 nan 8.150 nan 0.000 0.455 289 E N -0.265 119.854 120.200 -0.135 0.000 2.046 289 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 289 E C 1.646 178.276 176.600 0.051 0.000 0.982 289 E CA 1.079 57.456 56.400 -0.039 0.000 0.800 289 E CB -0.472 29.222 29.700 -0.010 0.000 0.756 289 E HN 0.777 nan 8.360 nan 0.000 0.449 290 Y N 0.899 121.104 120.300 -0.157 0.000 2.139 290 Y HA -0.256 4.294 4.550 -0.000 0.000 0.282 290 Y C 2.537 178.301 175.900 -0.226 0.000 1.179 290 Y CA 1.203 59.190 58.100 -0.189 0.000 1.161 290 Y CB 0.055 38.429 38.460 -0.143 0.000 0.970 290 Y HN 0.196 nan 8.280 nan 0.000 0.511 291 Q N -0.389 119.403 119.800 -0.013 0.000 2.432 291 Q HA -0.136 4.204 4.340 -0.000 0.000 0.205 291 Q C 1.759 177.678 176.000 -0.134 0.000 0.945 291 Q CA 0.496 56.248 55.803 -0.085 0.000 0.924 291 Q CB 0.092 28.786 28.738 -0.073 0.000 1.016 291 Q HN 0.620 nan 8.270 nan 0.000 0.503 292 Q N -0.184 119.527 119.800 -0.148 0.000 2.331 292 Q HA 0.002 4.342 4.340 -0.000 0.000 0.203 292 Q C 1.678 177.535 176.000 -0.238 0.000 0.944 292 Q CA 0.300 55.989 55.803 -0.190 0.000 0.892 292 Q CB 0.282 28.914 28.738 -0.176 0.000 0.983 292 Q HN 0.244 nan 8.270 nan 0.000 0.482 293 R N 0.583 120.878 120.500 -0.343 0.000 2.094 293 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 293 R C -0.732 175.341 176.300 -0.379 0.000 1.137 293 R CA 1.654 57.351 56.100 -0.672 0.000 0.943 293 R CB -1.514 27.940 30.300 -1.411 0.000 0.850 293 R HN 0.240 nan 8.270 nan 0.000 0.433 294 P HA -0.125 nan 4.420 nan 0.000 0.217 294 P C 0.893 178.168 177.300 -0.042 0.000 1.150 294 P CA 1.262 64.284 63.100 -0.130 0.000 0.832 294 P CB -0.030 31.573 31.700 -0.163 0.000 0.787 295 Q N -0.453 119.311 119.800 -0.061 0.000 2.084 295 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 295 Q C 2.321 178.418 176.000 0.162 0.000 0.978 295 Q CA 1.265 57.139 55.803 0.120 0.000 0.844 295 Q CB -0.453 28.332 28.738 0.078 0.000 0.898 295 Q HN 0.302 nan 8.270 nan 0.000 0.426 296 R N 0.349 120.824 120.500 -0.042 0.000 2.073 296 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 296 R C 2.407 178.871 176.300 0.272 0.000 1.134 296 R CA 1.171 57.327 56.100 0.093 0.000 0.952 296 R CB -0.513 29.852 30.300 0.108 0.000 0.850 296 R HN 0.189 nan 8.270 nan 0.000 0.433 297 L N 0.920 122.315 121.223 0.288 0.000 2.012 297 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 297 L C 2.020 179.036 176.870 0.243 0.000 1.073 297 L CA 1.728 56.731 54.840 0.271 0.000 0.748 297 L CB -0.627 41.602 42.059 0.283 0.000 0.891 297 L HN -0.082 nan 8.230 nan 0.000 0.431 298 V N 0.524 120.581 119.914 0.237 0.000 2.515 298 V HA -0.153 3.967 4.120 -0.000 0.000 0.250 298 V C 2.680 178.986 176.094 0.354 0.000 1.058 298 V CA 1.481 63.946 62.300 0.276 0.000 1.064 298 V CB -1.569 30.388 31.823 0.223 0.000 0.675 298 V HN 0.664 nan 8.190 nan 0.000 0.461 299 G N -0.710 108.324 108.800 0.390 0.000 2.476 299 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.218 299 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.218 299 G C 1.503 176.506 174.900 0.172 0.000 1.164 299 G CA 1.174 46.456 45.100 0.304 0.000 0.768 299 G HN 0.485 nan 8.290 nan 0.000 0.560 300 Q N -0.238 119.684 119.800 0.203 0.000 2.135 300 Q HA -0.077 4.263 4.340 -0.000 0.000 0.204 300 Q C 2.055 178.126 176.000 0.117 0.000 0.981 300 Q CA 1.439 57.322 55.803 0.133 0.000 0.856 300 Q CB -0.531 28.287 28.738 0.133 0.000 0.902 300 Q HN 0.533 nan 8.270 nan 0.000 0.425 301 F N -0.543 119.429 119.950 0.036 0.000 2.163 301 F HA -0.038 4.489 4.527 -0.000 0.000 0.297 301 F C 1.597 177.371 175.800 -0.044 0.000 1.094 301 F CA 1.135 59.149 58.000 0.024 0.000 1.290 301 F CB -0.047 38.986 39.000 0.056 0.000 1.017 301 F HN 0.073 nan 8.300 nan 0.000 0.483 302 I N 0.398 120.841 120.570 -0.213 0.000 2.233 302 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 302 I C 2.484 178.376 176.117 -0.375 0.000 1.093 302 I CA 1.419 62.357 61.300 -0.604 0.000 1.380 302 I CB -0.611 37.013 38.000 -0.627 0.000 1.067 302 I HN 0.119 nan 8.210 nan 0.000 0.413 303 K N 1.615 121.899 120.400 -0.194 0.000 2.032 303 K HA -0.258 4.062 4.320 -0.000 0.000 0.209 303 K C 2.239 178.778 176.600 -0.102 0.000 1.048 303 K CA 1.719 57.940 56.287 -0.110 0.000 0.927 303 K CB -0.060 32.403 32.500 -0.062 0.000 0.712 303 K HN 0.051 nan 8.250 nan 0.000 0.441 304 K N 0.071 120.400 120.400 -0.117 0.000 2.044 304 K HA -0.160 4.160 4.320 -0.000 0.000 0.210 304 K C 2.226 178.751 176.600 -0.126 0.000 1.049 304 K CA 1.379 57.604 56.287 -0.104 0.000 0.927 304 K CB 0.038 32.483 32.500 -0.093 0.000 0.713 304 K HN 0.047 nan 8.250 nan 0.000 0.443 305 R N 0.458 120.824 120.500 -0.225 0.000 2.115 305 R HA -0.039 4.301 4.340 -0.000 0.000 0.230 305 R C 1.592 177.896 176.300 0.006 0.000 1.111 305 R CA 0.876 56.891 56.100 -0.140 0.000 0.976 305 R CB -0.312 29.877 30.300 -0.184 0.000 0.870 305 R HN 0.281 nan 8.270 nan 0.000 0.445 306 L N 0.648 121.877 121.223 0.011 0.000 2.779 306 L HA 0.226 4.566 4.340 -0.000 0.000 0.239 306 L C 0.997 177.881 176.870 0.023 0.000 1.245 306 L CA 0.114 54.990 54.840 0.061 0.000 1.064 306 L CB -0.064 42.045 42.059 0.082 0.000 1.350 306 L HN -0.040 nan 8.230 nan 0.000 0.455 307 M N -0.398 119.203 119.600 0.002 0.000 2.705 307 M HA 0.262 4.742 4.480 -0.000 0.000 0.387 307 M C -0.570 175.730 176.300 0.001 0.000 1.204 307 M CA 0.087 55.386 55.300 -0.002 0.000 0.905 307 M CB 0.788 33.380 32.600 -0.013 0.000 1.394 307 M HN 0.242 nan 8.290 nan 0.000 0.515 308 Q N 0.000 119.805 119.800 0.009 0.000 2.315 308 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 308 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 308 Q CB 0.000 28.741 28.738 0.006 0.000 1.108 308 Q HN 0.000 nan 8.270 nan 0.000 0.481