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 1t11_1_B DATA FIRST_RESID 0 DATA SEQUENCE HMQVTVETLE GLQRRLNITV PAANIEDAVA AELRNIAKNR RFDGFRKGKV DATA SEQUENCE PMKMVAKMYG KAVRQDVLGE VMQRHFIEAI VKEKINPAGA PTFAPVEIGE DATA SEQUENCE GKDLVFTATF EVYPEVELKG LENIAVEKPA XXXXDADVAE MLETLRKQQA DATA SEQUENCE TWKEVDEAAE NGKRVSIDFV GSIDGVEFEG GKAENFPLEM GAGRMIPGFE DATA SEQUENCE DGIVGKTKGM EFVIDVTFPE DYHAENLKGK AAKFAIKVNK VEARELPELN DATA SEQUENCE DEFVARFGVA EGGVDALKAE VRKNMERELK QAIKARIKEQ AIEGLVKENE DATA SEQUENCE IQVPSALIDQ EINVLRQQAA QRFGGNVEAA AQLPRELFEE QAKRRVVVGL DATA SEQUENCE LLGEVIRTHE LKADEEKVKA LITEMATA 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.340 175.328 0.019 0.000 0.993 0 H CA 0.000 56.064 56.048 0.026 0.000 1.023 0 H CB 0.000 29.773 29.762 0.019 0.000 1.292 1 M N 1.176 120.848 119.600 0.120 0.000 2.342 1 M HA 0.522 5.002 4.480 -0.000 0.000 0.332 1 M C -0.781 175.570 176.300 0.086 0.000 1.166 1 M CA -0.104 55.219 55.300 0.039 0.000 1.086 1 M CB 1.787 34.449 32.600 0.103 0.000 1.541 1 M HN 0.443 nan 8.290 nan 0.000 0.462 2 Q N 1.914 121.723 119.800 0.015 0.000 2.345 2 Q HA 0.828 5.168 4.340 -0.000 0.000 0.268 2 Q C -1.508 174.483 176.000 -0.015 0.000 1.054 2 Q CA -0.720 55.102 55.803 0.031 0.000 0.835 2 Q CB 2.694 31.439 28.738 0.011 0.000 1.339 2 Q HN 0.812 nan 8.270 nan 0.000 0.447 3 V N 0.656 120.568 119.914 -0.005 0.000 2.932 3 V HA 0.661 4.781 4.120 -0.000 0.000 0.307 3 V C -0.537 175.547 176.094 -0.017 0.000 1.147 3 V CA -0.876 61.407 62.300 -0.027 0.000 0.951 3 V CB 2.247 34.065 31.823 -0.007 0.000 1.031 3 V HN 0.950 nan 8.190 nan 0.000 0.426 4 T N 0.081 114.617 114.554 -0.030 0.000 2.886 4 T HA 0.810 5.160 4.350 -0.000 0.000 0.292 4 T C -0.958 173.732 174.700 -0.018 0.000 1.012 4 T CA -0.737 61.351 62.100 -0.020 0.000 0.982 4 T CB 1.730 70.582 68.868 -0.027 0.000 1.018 4 T HN 0.427 nan 8.240 nan 0.000 0.451 5 V N 2.792 122.700 119.914 -0.009 0.000 2.435 5 V HA 0.519 4.639 4.120 -0.000 0.000 0.290 5 V C -0.069 176.009 176.094 -0.027 0.000 1.030 5 V CA -0.746 61.548 62.300 -0.010 0.000 0.881 5 V CB 1.287 33.115 31.823 0.009 0.000 0.983 5 V HN 0.968 nan 8.190 nan 0.000 0.445 6 E N 2.091 122.262 120.200 -0.049 0.000 2.199 6 E HA 0.524 4.874 4.350 -0.000 0.000 0.269 6 E C -0.898 175.661 176.600 -0.068 0.000 0.899 6 E CA -0.695 55.674 56.400 -0.051 0.000 0.772 6 E CB 2.244 31.912 29.700 -0.053 0.000 1.155 6 E HN 0.608 nan 8.360 nan 0.000 0.408 7 T N 2.942 117.466 114.554 -0.050 0.000 2.875 7 T HA 0.459 4.809 4.350 -0.000 0.000 0.284 7 T C 0.157 174.827 174.700 -0.050 0.000 0.995 7 T CA -0.392 61.677 62.100 -0.052 0.000 1.060 7 T CB 0.545 69.395 68.868 -0.030 0.000 0.967 7 T HN 0.243 nan 8.240 nan 0.000 0.476 8 L N 0.733 121.922 121.223 -0.057 0.000 2.305 8 L HA 0.572 4.912 4.340 -0.000 0.000 0.261 8 L C 0.040 176.891 176.870 -0.033 0.000 1.100 8 L CA -1.448 53.364 54.840 -0.047 0.000 1.073 8 L CB 0.520 42.544 42.059 -0.059 0.000 1.656 8 L HN 0.373 nan 8.230 nan 0.000 0.536 9 E N 1.390 121.574 120.200 -0.027 0.000 2.376 9 E HA 0.340 4.690 4.350 -0.000 0.000 0.266 9 E C 0.445 177.036 176.600 -0.015 0.000 1.009 9 E CA 0.746 57.136 56.400 -0.017 0.000 0.902 9 E CB 0.270 29.962 29.700 -0.013 0.000 0.972 9 E HN 0.696 nan 8.360 nan 0.000 0.439 10 G N 2.533 111.328 108.800 -0.007 0.000 2.569 10 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.259 10 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.259 10 G C 0.350 175.249 174.900 -0.002 0.000 1.263 10 G CA -0.056 45.044 45.100 -0.000 0.000 0.928 10 G HN 0.509 nan 8.290 nan 0.000 0.572 11 L N 0.721 121.949 121.223 0.008 0.000 2.777 11 L HA 0.277 4.617 4.340 -0.000 0.000 0.244 11 L C 1.116 177.977 176.870 -0.016 0.000 1.235 11 L CA 0.267 55.114 54.840 0.012 0.000 1.062 11 L CB -0.222 41.860 42.059 0.040 0.000 1.340 11 L HN 0.489 nan 8.230 nan 0.000 0.439 12 Q N 1.356 121.129 119.800 -0.044 0.000 2.303 12 Q HA 0.370 4.710 4.340 -0.000 0.000 0.257 12 Q C -0.666 175.240 176.000 -0.158 0.000 0.941 12 Q CA -0.322 55.424 55.803 -0.094 0.000 0.931 12 Q CB 0.958 29.655 28.738 -0.068 0.000 1.215 12 Q HN 0.148 nan 8.270 nan 0.000 0.437 13 R N 2.736 123.047 120.500 -0.315 0.000 2.807 13 R HA 0.570 4.910 4.340 -0.000 0.000 0.276 13 R C -0.989 174.996 176.300 -0.525 0.000 0.979 13 R CA -0.886 54.987 56.100 -0.378 0.000 0.928 13 R CB 2.049 32.110 30.300 -0.398 0.000 1.191 13 R HN 0.645 nan 8.270 nan 0.000 0.471 14 R N 2.120 122.432 120.500 -0.315 0.000 2.561 14 R HA 0.495 4.835 4.340 -0.000 0.000 0.297 14 R C -1.100 175.133 176.300 -0.111 0.000 0.969 14 R CA -0.532 55.438 56.100 -0.218 0.000 0.879 14 R CB 1.251 31.481 30.300 -0.117 0.000 1.178 14 R HN 0.481 nan 8.270 nan 0.000 0.445 15 L N 3.931 125.149 121.223 -0.007 0.000 2.322 15 L HA 0.448 4.788 4.340 -0.000 0.000 0.281 15 L C -0.599 176.228 176.870 -0.071 0.000 1.014 15 L CA -1.020 53.843 54.840 0.038 0.000 0.815 15 L CB 1.986 44.180 42.059 0.224 0.000 1.247 15 L HN 0.698 nan 8.230 nan 0.000 0.421 16 N N 5.355 123.990 118.700 -0.108 0.000 2.621 16 N HA 0.425 5.165 4.740 -0.000 0.000 0.237 16 N C -0.648 174.719 175.510 -0.238 0.000 0.997 16 N CA -0.218 52.727 53.050 -0.176 0.000 0.918 16 N CB 1.591 40.015 38.487 -0.105 0.000 1.122 16 N HN 0.440 nan 8.380 nan 0.000 0.510 17 I N 0.830 121.119 120.570 -0.469 0.000 2.385 17 I HA 0.286 4.456 4.170 -0.000 0.000 0.294 17 I C 0.436 176.335 176.117 -0.362 0.000 0.988 17 I CA -0.303 60.721 61.300 -0.460 0.000 1.265 17 I CB 1.426 39.002 38.000 -0.707 0.000 1.388 17 I HN 0.058 nan 8.210 nan 0.000 0.480 18 T N 5.309 119.753 114.554 -0.182 0.000 2.841 18 T HA 0.576 4.926 4.350 -0.000 0.000 0.283 18 T C -0.436 174.188 174.700 -0.126 0.000 1.000 18 T CA -0.484 61.547 62.100 -0.114 0.000 0.977 18 T CB 2.004 70.816 68.868 -0.092 0.000 0.979 18 T HN 0.250 nan 8.240 nan 0.000 0.446 19 V N 4.825 124.666 119.914 -0.121 0.000 2.588 19 V HA 0.405 4.525 4.120 -0.000 0.000 0.304 19 V C -2.490 173.523 176.094 -0.134 0.000 1.042 19 V CA -2.565 59.608 62.300 -0.212 0.000 0.877 19 V CB 1.687 33.313 31.823 -0.328 0.000 0.996 19 V HN 0.661 nan 8.190 nan 0.000 0.425 20 P HA 0.045 nan 4.420 nan 0.000 0.261 20 P C 0.783 178.046 177.300 -0.060 0.000 1.183 20 P CA 0.425 63.473 63.100 -0.087 0.000 0.761 20 P CB 0.786 32.442 31.700 -0.073 0.000 0.785 21 A N 5.345 128.136 122.820 -0.048 0.000 1.927 21 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 21 A C 2.200 179.769 177.584 -0.024 0.000 1.185 21 A CA 2.446 54.463 52.037 -0.034 0.000 0.639 21 A CB -1.649 17.334 19.000 -0.028 0.000 0.820 21 A HN 0.548 nan 8.150 nan 0.000 0.451 22 A N 0.282 123.090 122.820 -0.021 0.000 1.915 22 A HA -0.360 3.960 4.320 -0.000 0.000 0.220 22 A C 1.853 179.435 177.584 -0.003 0.000 1.198 22 A CA 2.497 54.528 52.037 -0.010 0.000 0.647 22 A CB -1.105 17.890 19.000 -0.007 0.000 0.825 22 A HN 0.685 nan 8.150 nan 0.000 0.456 23 N N -0.324 118.376 118.700 0.000 0.000 2.018 23 N HA -0.179 4.561 4.740 -0.000 0.000 0.196 23 N C 1.423 176.940 175.510 0.011 0.000 1.043 23 N CA 2.064 55.126 53.050 0.019 0.000 0.856 23 N CB -0.434 38.075 38.487 0.036 0.000 1.042 23 N HN 0.469 nan 8.380 nan 0.000 0.423 24 I N 1.032 121.599 120.570 -0.005 0.000 2.142 24 I HA -0.184 3.986 4.170 -0.000 0.000 0.240 24 I C 2.170 178.283 176.117 -0.006 0.000 1.078 24 I CA 1.302 62.597 61.300 -0.009 0.000 1.343 24 I CB -0.597 37.389 38.000 -0.023 0.000 1.046 24 I HN 0.109 nan 8.210 nan 0.000 0.405 25 E N 0.614 120.809 120.200 -0.008 0.000 2.085 25 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 25 E C 1.900 178.498 176.600 -0.004 0.000 0.994 25 E CA 1.391 57.787 56.400 -0.007 0.000 0.801 25 E CB -0.541 29.154 29.700 -0.009 0.000 0.743 25 E HN 0.480 nan 8.360 nan 0.000 0.453 26 D N 0.554 120.953 120.400 -0.001 0.000 2.097 26 D HA -0.104 4.536 4.640 -0.000 0.000 0.195 26 D C 1.850 178.150 176.300 0.001 0.000 0.989 26 D CA 1.638 55.639 54.000 0.001 0.000 0.827 26 D CB -0.320 40.483 40.800 0.004 0.000 0.966 26 D HN 0.178 nan 8.370 nan 0.000 0.456 27 A N 0.506 123.329 122.820 0.004 0.000 1.902 27 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 27 A C 2.519 180.104 177.584 0.002 0.000 1.181 27 A CA 1.183 53.223 52.037 0.004 0.000 0.623 27 A CB -0.766 18.239 19.000 0.008 0.000 0.818 27 A HN 0.145 nan 8.150 nan 0.000 0.443 28 V N -0.107 119.808 119.914 0.001 0.000 2.407 28 V HA -0.252 3.867 4.120 -0.000 0.000 0.248 28 V C 3.011 179.106 176.094 0.001 0.000 1.055 28 V CA 1.874 64.176 62.300 0.003 0.000 1.049 28 V CB -1.213 30.612 31.823 0.003 0.000 0.662 28 V HN 0.635 nan 8.190 nan 0.000 0.455 29 A N 0.127 122.946 122.820 -0.002 0.000 1.835 29 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 29 A C 2.491 180.070 177.584 -0.007 0.000 1.199 29 A CA 2.260 54.294 52.037 -0.005 0.000 0.615 29 A CB -1.149 17.847 19.000 -0.006 0.000 0.838 29 A HN 0.570 nan 8.150 nan 0.000 0.444 30 A N -0.311 122.506 122.820 -0.006 0.000 1.870 30 A HA -0.324 3.996 4.320 -0.000 0.000 0.219 30 A C 1.975 179.552 177.584 -0.011 0.000 1.224 30 A CA 2.740 54.773 52.037 -0.007 0.000 0.650 30 A CB -0.863 18.134 19.000 -0.004 0.000 0.836 30 A HN 0.557 nan 8.150 nan 0.000 0.454 31 E N -0.004 120.190 120.200 -0.010 0.000 2.130 31 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 31 E C 1.835 178.421 176.600 -0.024 0.000 0.998 31 E CA 1.419 57.809 56.400 -0.017 0.000 0.806 31 E CB -0.441 29.252 29.700 -0.013 0.000 0.738 31 E HN 0.636 nan 8.360 nan 0.000 0.459 32 L N -0.235 120.980 121.223 -0.013 0.000 2.027 32 L HA -0.142 4.198 4.340 -0.000 0.000 0.206 32 L C 2.631 179.488 176.870 -0.023 0.000 1.074 32 L CA 1.564 56.396 54.840 -0.013 0.000 0.745 32 L CB -0.383 41.675 42.059 -0.001 0.000 0.898 32 L HN 0.114 nan 8.230 nan 0.000 0.433 33 R N 0.072 120.560 120.500 -0.021 0.000 2.127 33 R HA -0.170 4.169 4.340 -0.000 0.000 0.238 33 R C 1.937 178.226 176.300 -0.018 0.000 1.134 33 R CA 1.719 57.806 56.100 -0.022 0.000 0.975 33 R CB -0.594 29.695 30.300 -0.018 0.000 0.865 33 R HN 0.570 nan 8.270 nan 0.000 0.447 34 N N 0.681 119.368 118.700 -0.020 0.000 2.062 34 N HA -0.097 4.643 4.740 -0.000 0.000 0.191 34 N C 1.925 177.420 175.510 -0.025 0.000 1.042 34 N CA 1.005 54.042 53.050 -0.022 0.000 0.845 34 N CB -0.122 38.349 38.487 -0.027 0.000 1.024 34 N HN 0.085 nan 8.380 nan 0.000 0.424 35 I N 1.436 121.977 120.570 -0.048 0.000 2.248 35 I HA -0.315 3.855 4.170 -0.000 0.000 0.248 35 I C 2.479 178.631 176.117 0.058 0.000 1.107 35 I CA 0.969 62.228 61.300 -0.069 0.000 1.373 35 I CB -0.439 37.453 38.000 -0.181 0.000 1.055 35 I HN 0.216 nan 8.210 nan 0.000 0.418 36 A N 0.543 123.391 122.820 0.047 0.000 1.873 36 A HA -0.249 4.071 4.320 -0.000 0.000 0.215 36 A C 2.389 180.022 177.584 0.081 0.000 1.186 36 A CA 1.792 53.865 52.037 0.060 0.000 0.616 36 A CB -0.476 18.493 19.000 -0.051 0.000 0.823 36 A HN 0.344 nan 8.150 nan 0.000 0.442 37 K N -0.825 119.596 120.400 0.035 0.000 2.211 37 K HA -0.099 4.221 4.320 -0.000 0.000 0.203 37 K C 0.301 176.924 176.600 0.037 0.000 1.050 37 K CA 1.493 57.798 56.287 0.031 0.000 0.945 37 K CB -0.049 32.457 32.500 0.010 0.000 0.732 37 K HN 0.456 nan 8.250 nan 0.000 0.451 38 N N -0.015 118.702 118.700 0.029 0.000 2.235 38 N HA 0.078 4.818 4.740 -0.000 0.000 0.231 38 N C -0.948 174.556 175.510 -0.010 0.000 1.177 38 N CA -0.136 52.918 53.050 0.007 0.000 0.874 38 N CB 0.923 39.401 38.487 -0.016 0.000 1.097 38 N HN -0.090 nan 8.380 nan 0.000 0.518 39 R N 0.869 121.386 120.500 0.028 0.000 2.561 39 R HA 0.550 4.890 4.340 -0.000 0.000 0.297 39 R C -0.586 175.696 176.300 -0.030 0.000 0.969 39 R CA -0.402 55.642 56.100 -0.093 0.000 0.879 39 R CB 0.988 31.133 30.300 -0.260 0.000 1.178 39 R HN 0.083 nan 8.270 nan 0.000 0.445 40 R N 3.987 124.423 120.500 -0.106 0.000 2.210 40 R HA 0.397 4.737 4.340 -0.000 0.000 0.338 40 R C -0.655 175.607 176.300 -0.063 0.000 1.062 40 R CA -0.055 56.055 56.100 0.018 0.000 0.902 40 R CB -0.331 29.977 30.300 0.013 0.000 1.050 40 R HN 0.394 nan 8.270 nan 0.000 0.461 41 F N 0.628 120.649 119.950 0.119 0.000 2.404 41 F HA 0.392 4.919 4.527 -0.000 0.000 0.339 41 F C 1.272 177.196 175.800 0.207 0.000 1.105 41 F CA -0.567 57.530 58.000 0.161 0.000 1.087 41 F CB 1.636 40.733 39.000 0.163 0.000 1.143 41 F HN 0.757 nan 8.300 nan 0.000 0.491 42 D N 1.109 121.693 120.400 0.308 0.000 2.472 42 D HA 0.396 5.036 4.640 -0.000 0.000 0.248 42 D C 1.158 177.591 176.300 0.222 0.000 1.174 42 D CA 0.541 54.661 54.000 0.199 0.000 0.883 42 D CB 0.103 40.982 40.800 0.132 0.000 1.149 42 D HN 1.145 nan 8.370 nan 0.000 0.488 43 G N 0.510 109.342 108.800 0.054 0.000 2.195 43 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.224 43 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.224 43 G C 0.089 174.585 174.900 -0.674 0.000 0.990 43 G CA 0.161 45.101 45.100 -0.267 0.000 0.639 43 G HN 0.908 nan 8.290 nan 0.000 0.514 44 F N -0.309 119.693 119.950 0.086 0.000 2.626 44 F HA 0.835 5.362 4.527 -0.000 0.000 0.311 44 F C 0.438 176.288 175.800 0.084 0.000 1.088 44 F CA -0.332 57.712 58.000 0.073 0.000 0.949 44 F CB 1.142 40.180 39.000 0.064 0.000 1.322 44 F HN 0.333 nan 8.300 nan 0.000 0.461 45 R N 1.218 121.860 120.500 0.237 0.000 2.459 45 R HA 0.455 4.795 4.340 -0.000 0.000 0.281 45 R C -0.061 176.339 176.300 0.168 0.000 1.050 45 R CA -1.019 55.173 56.100 0.154 0.000 1.055 45 R CB 0.354 30.712 30.300 0.097 0.000 1.045 45 R HN 0.776 nan 8.270 nan 0.000 0.495 46 K N 0.744 121.222 120.400 0.131 0.000 2.600 46 K HA 0.161 4.481 4.320 -0.000 0.000 0.280 46 K C 0.691 177.351 176.600 0.101 0.000 0.971 46 K CA 2.048 58.406 56.287 0.118 0.000 1.053 46 K CB -0.199 32.345 32.500 0.073 0.000 0.856 46 K HN 1.510 nan 8.250 nan 0.000 0.495 47 G N 2.909 111.767 108.800 0.096 0.000 2.757 47 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.686 47 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.686 47 G C -1.141 173.786 174.900 0.045 0.000 1.452 47 G CA -0.320 44.814 45.100 0.057 0.000 0.922 47 G HN 0.674 nan 8.290 nan 0.000 0.588 48 K N -1.830 118.573 120.400 0.004 0.000 5.587 48 K HA -0.014 4.306 4.320 -0.000 0.000 0.436 48 K C 0.149 176.718 176.600 -0.052 0.000 1.020 48 K CA 1.211 57.485 56.287 -0.022 0.000 1.212 48 K CB -1.150 31.358 32.500 0.012 0.000 1.905 48 K HN 1.943 nan 8.250 nan 0.000 0.351 49 V N 3.406 123.194 119.914 -0.210 0.000 3.114 49 V HA 0.560 4.680 4.120 -0.000 0.000 0.308 49 V C -2.267 173.502 176.094 -0.542 0.000 1.168 49 V CA -2.080 59.902 62.300 -0.530 0.000 1.015 49 V CB 2.306 33.729 31.823 -0.666 0.000 1.050 49 V HN 0.432 nan 8.190 nan 0.000 0.433 50 P HA 0.080 nan 4.420 nan 0.000 0.258 50 P C 0.489 177.579 177.300 -0.349 0.000 1.187 50 P CA 0.355 63.209 63.100 -0.410 0.000 0.767 50 P CB 0.382 31.853 31.700 -0.381 0.000 0.770 51 M N 5.161 124.626 119.600 -0.226 0.000 2.108 51 M HA -0.208 4.272 4.480 -0.000 0.000 0.261 51 M C 1.782 177.996 176.300 -0.144 0.000 1.066 51 M CA 1.947 57.146 55.300 -0.169 0.000 1.107 51 M CB -0.591 31.945 32.600 -0.106 0.000 1.356 51 M HN 0.011 nan 8.290 nan 0.000 0.406 52 K N -0.255 120.069 120.400 -0.127 0.000 2.113 52 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 52 K C 2.054 178.591 176.600 -0.105 0.000 1.047 52 K CA 2.044 58.275 56.287 -0.093 0.000 0.928 52 K CB -0.493 31.960 32.500 -0.077 0.000 0.716 52 K HN 0.564 nan 8.250 nan 0.000 0.446 53 M N -0.705 118.792 119.600 -0.172 0.000 2.123 53 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 53 M C 1.931 178.142 176.300 -0.148 0.000 1.069 53 M CA 1.623 56.815 55.300 -0.180 0.000 1.133 53 M CB -0.205 32.215 32.600 -0.300 0.000 1.356 53 M HN 0.051 nan 8.290 nan 0.000 0.415 54 V N 1.017 120.799 119.914 -0.221 0.000 2.490 54 V HA -0.186 3.934 4.120 -0.000 0.000 0.250 54 V C 2.353 178.516 176.094 0.114 0.000 1.061 54 V CA 2.074 64.355 62.300 -0.032 0.000 1.064 54 V CB -0.802 30.950 31.823 -0.118 0.000 0.670 54 V HN 0.615 nan 8.190 nan 0.000 0.461 55 A N -0.307 122.523 122.820 0.015 0.000 1.969 55 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 55 A C 2.162 179.760 177.584 0.024 0.000 1.169 55 A CA 1.906 53.962 52.037 0.031 0.000 0.635 55 A CB -0.511 18.486 19.000 -0.006 0.000 0.810 55 A HN 0.529 nan 8.150 nan 0.000 0.445 56 K N -0.668 119.729 120.400 -0.004 0.000 2.296 56 K HA 0.158 4.478 4.320 -0.000 0.000 0.200 56 K C 1.652 178.225 176.600 -0.045 0.000 1.048 56 K CA 1.193 57.468 56.287 -0.021 0.000 0.966 56 K CB -0.268 32.215 32.500 -0.028 0.000 0.754 56 K HN 0.523 nan 8.250 nan 0.000 0.466 57 M N -1.693 117.876 119.600 -0.052 0.000 2.545 57 M HA 0.074 4.554 4.480 -0.000 0.000 0.264 57 M C 0.537 176.567 176.300 -0.450 0.000 1.155 57 M CA 0.870 56.022 55.300 -0.247 0.000 1.162 57 M CB 0.385 32.836 32.600 -0.247 0.000 1.330 57 M HN 0.025 nan 8.290 nan 0.000 0.479 58 Y N -1.412 118.917 120.300 0.048 0.000 2.563 58 Y HA 0.372 4.922 4.550 -0.000 0.000 0.250 58 Y C 2.056 177.968 175.900 0.019 0.000 1.126 58 Y CA -0.268 57.855 58.100 0.039 0.000 1.231 58 Y CB -0.477 38.018 38.460 0.059 0.000 1.288 58 Y HN 0.135 nan 8.280 nan 0.000 0.537 59 G N 1.179 110.053 108.800 0.123 0.000 2.529 59 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 59 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 59 G C 1.892 176.822 174.900 0.051 0.000 1.177 59 G CA 1.147 46.289 45.100 0.070 0.000 0.773 59 G HN 0.117 nan 8.290 nan 0.000 0.573 60 K N 0.629 121.048 120.400 0.032 0.000 1.985 60 K HA 0.003 4.323 4.320 -0.000 0.000 0.210 60 K C 3.061 179.681 176.600 0.033 0.000 1.047 60 K CA 1.197 57.496 56.287 0.020 0.000 0.932 60 K CB -0.835 31.667 32.500 0.004 0.000 0.716 60 K HN 0.227 nan 8.250 nan 0.000 0.439 61 A N 1.122 123.972 122.820 0.050 0.000 1.884 61 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 61 A C 2.452 180.080 177.584 0.073 0.000 1.197 61 A CA 2.289 54.368 52.037 0.069 0.000 0.637 61 A CB -0.966 18.104 19.000 0.117 0.000 0.827 61 A HN 0.132 nan 8.150 nan 0.000 0.450 62 V N -0.200 119.772 119.914 0.095 0.000 2.490 62 V HA -0.240 3.880 4.120 -0.000 0.000 0.250 62 V C 2.622 178.736 176.094 0.033 0.000 1.061 62 V CA 2.269 64.607 62.300 0.064 0.000 1.064 62 V CB -0.841 31.022 31.823 0.067 0.000 0.670 62 V HN 0.672 nan 8.190 nan 0.000 0.461 63 R N -0.468 120.049 120.500 0.028 0.000 2.090 63 R HA -0.167 4.173 4.340 -0.000 0.000 0.228 63 R C 2.369 178.668 176.300 -0.001 0.000 1.110 63 R CA 1.217 57.322 56.100 0.009 0.000 0.973 63 R CB -0.072 30.231 30.300 0.006 0.000 0.869 63 R HN 0.383 nan 8.270 nan 0.000 0.440 64 Q N 0.719 120.523 119.800 0.005 0.000 2.084 64 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 64 Q C 1.508 177.505 176.000 -0.005 0.000 0.978 64 Q CA 1.580 57.382 55.803 -0.002 0.000 0.844 64 Q CB -0.218 28.524 28.738 0.007 0.000 0.898 64 Q HN 0.378 nan 8.270 nan 0.000 0.426 65 D N -0.968 119.435 120.400 0.005 0.000 2.103 65 D HA -0.076 4.564 4.640 -0.000 0.000 0.199 65 D C 1.867 178.165 176.300 -0.005 0.000 0.978 65 D CA 0.820 54.822 54.000 0.004 0.000 0.829 65 D CB 0.248 41.055 40.800 0.013 0.000 0.981 65 D HN 0.048 nan 8.370 nan 0.000 0.464 66 V N 1.328 121.239 119.914 -0.005 0.000 2.343 66 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 66 V C 2.555 178.633 176.094 -0.027 0.000 1.051 66 V CA 1.004 63.299 62.300 -0.009 0.000 1.036 66 V CB -0.313 31.507 31.823 -0.005 0.000 0.654 66 V HN 0.134 nan 8.190 nan 0.000 0.451 67 L N 0.999 122.196 121.223 -0.043 0.000 1.989 67 L HA -0.084 4.256 4.340 -0.000 0.000 0.211 67 L C 2.534 179.334 176.870 -0.117 0.000 1.071 67 L CA 2.437 57.224 54.840 -0.089 0.000 0.749 67 L CB -1.543 40.465 42.059 -0.084 0.000 0.890 67 L HN 0.342 nan 8.230 nan 0.000 0.431 68 G N -1.719 107.041 108.800 -0.066 0.000 2.450 68 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.220 68 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.220 68 G C 1.578 176.463 174.900 -0.025 0.000 1.130 68 G CA 0.975 46.050 45.100 -0.040 0.000 0.760 68 G HN 0.416 nan 8.290 nan 0.000 0.557 69 E N -0.188 120.001 120.200 -0.019 0.000 2.072 69 E HA -0.026 4.324 4.350 -0.000 0.000 0.190 69 E C 2.652 179.257 176.600 0.009 0.000 0.982 69 E CA 0.625 57.026 56.400 0.002 0.000 0.803 69 E CB -0.142 29.561 29.700 0.005 0.000 0.755 69 E HN 0.192 nan 8.360 nan 0.000 0.453 70 V N 0.528 120.440 119.914 -0.003 0.000 2.358 70 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 70 V C 2.338 178.471 176.094 0.064 0.000 1.047 70 V CA 1.911 64.259 62.300 0.080 0.000 1.035 70 V CB -0.457 31.383 31.823 0.027 0.000 0.658 70 V HN 0.347 nan 8.190 nan 0.000 0.452 71 M N -0.656 118.775 119.600 -0.281 0.000 2.065 71 M HA -0.268 4.212 4.480 -0.000 0.000 0.259 71 M C 2.421 178.615 176.300 -0.177 0.000 1.071 71 M CA 2.335 57.212 55.300 -0.706 0.000 1.109 71 M CB -0.524 31.293 32.600 -1.306 0.000 1.313 71 M HN 0.294 nan 8.290 nan 0.000 0.408 72 Q N 0.649 120.463 119.800 0.024 0.000 2.014 72 Q HA -0.219 4.121 4.340 -0.000 0.000 0.207 72 Q C 1.956 178.059 176.000 0.171 0.000 0.993 72 Q CA 2.087 58.035 55.803 0.241 0.000 0.850 72 Q CB -0.392 28.450 28.738 0.173 0.000 0.916 72 Q HN 0.316 nan 8.270 nan 0.000 0.417 73 R N -1.433 119.103 120.500 0.060 0.000 2.117 73 R HA -0.217 4.123 4.340 -0.000 0.000 0.243 73 R C 1.635 177.845 176.300 -0.149 0.000 1.143 73 R CA 2.010 58.072 56.100 -0.063 0.000 0.968 73 R CB -0.238 29.975 30.300 -0.146 0.000 0.863 73 R HN 0.512 nan 8.270 nan 0.000 0.444 74 H N -1.854 117.279 119.070 0.106 0.000 2.544 74 H HA -0.006 4.550 4.556 -0.000 0.000 0.269 74 H C 1.191 176.618 175.328 0.166 0.000 0.970 74 H CA 0.960 57.086 56.048 0.130 0.000 1.219 74 H CB 0.049 29.919 29.762 0.182 0.000 1.421 74 H HN 0.204 nan 8.280 nan 0.000 0.555 75 F N 1.280 121.333 119.950 0.171 0.000 2.084 75 F HA -0.156 4.371 4.527 0.000 0.000 0.296 75 F C 1.702 177.535 175.800 0.054 0.000 1.111 75 F CA 1.040 59.123 58.000 0.139 0.000 1.224 75 F CB -0.361 38.784 39.000 0.241 0.000 0.991 75 F HN -0.003 nan 8.300 nan 0.000 0.471 76 I N 0.962 121.389 120.570 -0.238 0.000 2.286 76 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 76 I C 2.436 178.414 176.117 -0.233 0.000 1.115 76 I CA 1.671 62.766 61.300 -0.342 0.000 1.392 76 I CB -1.683 36.245 38.000 -0.120 0.000 1.065 76 I HN 0.380 nan 8.210 nan 0.000 0.418 77 E N 1.053 121.174 120.200 -0.132 0.000 2.150 77 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 77 E C 2.274 178.831 176.600 -0.073 0.000 0.985 77 E CA 1.239 57.586 56.400 -0.088 0.000 0.814 77 E CB 0.143 29.799 29.700 -0.074 0.000 0.752 77 E HN 0.429 nan 8.360 nan 0.000 0.466 78 A N 1.510 124.285 122.820 -0.074 0.000 1.832 78 A HA -0.149 4.171 4.320 -0.000 0.000 0.214 78 A C 2.101 179.620 177.584 -0.108 0.000 1.200 78 A CA 1.246 53.253 52.037 -0.050 0.000 0.610 78 A CB -0.637 18.362 19.000 -0.002 0.000 0.842 78 A HN 0.312 nan 8.150 nan 0.000 0.444 79 I N 0.143 120.562 120.570 -0.252 0.000 2.121 79 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 79 I C 2.556 178.572 176.117 -0.169 0.000 1.047 79 I CA 1.633 62.764 61.300 -0.281 0.000 1.308 79 I CB -1.472 36.188 38.000 -0.566 0.000 1.015 79 I HN 0.152 nan 8.210 nan 0.000 0.410 80 V N 0.817 120.637 119.914 -0.156 0.000 2.237 80 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 80 V C 2.643 178.698 176.094 -0.065 0.000 1.046 80 V CA 1.922 64.163 62.300 -0.099 0.000 1.007 80 V CB -0.723 31.055 31.823 -0.075 0.000 0.638 80 V HN 0.380 nan 8.190 nan 0.000 0.445 81 K N -0.044 120.326 120.400 -0.050 0.000 2.152 81 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 81 K C 1.840 178.427 176.600 -0.021 0.000 1.048 81 K CA 1.463 57.734 56.287 -0.026 0.000 0.933 81 K CB -0.161 32.332 32.500 -0.011 0.000 0.721 81 K HN 0.407 nan 8.250 nan 0.000 0.447 82 E N 1.066 121.251 120.200 -0.024 0.000 2.489 82 E HA -0.016 4.334 4.350 -0.000 0.000 0.193 82 E C -0.329 176.264 176.600 -0.013 0.000 1.057 82 E CA 0.049 56.445 56.400 -0.007 0.000 0.866 82 E CB 0.188 29.898 29.700 0.016 0.000 0.916 82 E HN 0.091 nan 8.360 nan 0.000 0.500 83 K N 0.388 120.766 120.400 -0.037 0.000 4.040 83 K HA -0.198 4.122 4.320 -0.000 0.000 0.279 83 K C -0.229 176.347 176.600 -0.040 0.000 0.890 83 K CA 0.722 56.979 56.287 -0.050 0.000 0.782 83 K CB -2.184 30.297 32.500 -0.031 0.000 1.613 83 K HN 0.279 nan 8.250 nan 0.000 0.440 84 I N 0.961 121.501 120.570 -0.051 0.000 2.466 84 I HA 0.150 4.320 4.170 -0.000 0.000 0.289 84 I C 0.359 176.435 176.117 -0.068 0.000 1.026 84 I CA -0.810 60.489 61.300 -0.003 0.000 1.078 84 I CB 1.847 39.907 38.000 0.100 0.000 1.249 84 I HN 0.052 nan 8.210 nan 0.000 0.429 85 N N 8.192 126.860 118.700 -0.054 0.000 2.589 85 N HA 0.363 5.103 4.740 -0.000 0.000 0.232 85 N C -2.657 172.780 175.510 -0.122 0.000 1.015 85 N CA -1.798 51.181 53.050 -0.118 0.000 0.931 85 N CB 1.053 39.502 38.487 -0.063 0.000 1.150 85 N HN 0.187 nan 8.380 nan 0.000 0.512 86 P HA 0.086 nan 4.420 nan 0.000 0.268 86 P C -0.478 176.646 177.300 -0.294 0.000 1.205 86 P CA -0.025 63.014 63.100 -0.102 0.000 0.771 86 P CB 0.836 32.499 31.700 -0.062 0.000 0.858 87 A N 2.472 125.076 122.820 -0.362 0.000 2.535 87 A HA 0.599 4.919 4.320 -0.000 0.000 0.273 87 A C 0.677 178.183 177.584 -0.130 0.000 1.267 87 A CA 0.428 52.130 52.037 -0.558 0.000 0.940 87 A CB -0.346 18.175 19.000 -0.798 0.000 1.101 87 A HN 0.616 nan 8.150 nan 0.000 0.521 88 G N -1.771 107.027 108.800 -0.003 0.000 2.608 88 G HA2 0.593 4.553 3.960 -0.000 0.000 0.291 88 G HA3 0.593 4.553 3.960 -0.000 0.000 0.291 88 G C -0.722 174.273 174.900 0.160 0.000 1.425 88 G CA 0.040 45.186 45.100 0.077 0.000 0.787 88 G HN 0.804 nan 8.290 nan 0.000 0.484 89 A N 0.912 123.808 122.820 0.128 0.000 2.354 89 A HA 0.793 5.113 4.320 -0.000 0.000 0.269 89 A C -1.921 175.623 177.584 -0.066 0.000 1.109 89 A CA -1.092 50.995 52.037 0.083 0.000 0.800 89 A CB 0.218 19.231 19.000 0.021 0.000 1.045 89 A HN 0.503 nan 8.150 nan 0.000 0.489 90 P HA 0.254 nan 4.420 nan 0.000 0.279 90 P C -0.654 176.356 177.300 -0.483 0.000 1.239 90 P CA -0.022 62.845 63.100 -0.387 0.000 0.789 90 P CB 1.014 32.091 31.700 -1.038 0.000 0.933 91 T N 4.176 118.628 114.554 -0.170 0.000 2.753 91 T HA 0.367 4.717 4.350 -0.000 0.000 0.297 91 T C 0.128 174.872 174.700 0.073 0.000 0.981 91 T CA -0.126 61.892 62.100 -0.137 0.000 0.956 91 T CB -0.383 68.470 68.868 -0.025 0.000 0.936 91 T HN 0.177 nan 8.240 nan 0.000 0.463 92 F N 1.908 121.846 119.950 -0.021 0.000 2.382 92 F HA 0.591 5.118 4.527 -0.000 0.000 0.331 92 F C 0.857 176.696 175.800 0.064 0.000 1.121 92 F CA -1.113 56.920 58.000 0.056 0.000 1.183 92 F CB 0.847 39.843 39.000 -0.006 0.000 1.207 92 F HN 0.471 nan 8.300 nan 0.000 0.555 93 A N 3.598 126.615 122.820 0.329 0.000 2.459 93 A HA 0.567 4.887 4.320 -0.000 0.000 0.296 93 A C -2.929 174.767 177.584 0.186 0.000 1.039 93 A CA -1.629 50.522 52.037 0.189 0.000 0.698 93 A CB 1.644 20.724 19.000 0.134 0.000 1.261 93 A HN 0.360 nan 8.150 nan 0.000 0.405 94 P HA 0.314 nan 4.420 nan 0.000 0.287 94 P C 0.120 177.469 177.300 0.082 0.000 1.294 94 P CA -0.054 63.107 63.100 0.101 0.000 0.776 94 P CB 1.723 33.452 31.700 0.049 0.000 0.889 95 V N 2.549 122.517 119.914 0.090 0.000 2.690 95 V HA 0.105 4.225 4.120 -0.000 0.000 0.240 95 V C 0.787 176.902 176.094 0.035 0.000 1.078 95 V CA 1.425 63.755 62.300 0.050 0.000 1.102 95 V CB -0.425 31.419 31.823 0.035 0.000 0.800 95 V HN 0.506 nan 8.190 nan 0.000 0.479 96 E N 0.390 120.616 120.200 0.042 0.000 2.283 96 E HA 0.402 4.752 4.350 -0.000 0.000 0.258 96 E C -0.292 176.323 176.600 0.025 0.000 0.893 96 E CA -0.197 56.217 56.400 0.024 0.000 0.798 96 E CB 1.228 30.935 29.700 0.013 0.000 1.242 96 E HN 0.429 nan 8.360 nan 0.000 0.414 97 I N 1.222 121.799 120.570 0.013 0.000 4.102 97 I HA 0.585 4.755 4.170 -0.000 0.000 0.325 97 I C 0.830 176.944 176.117 -0.005 0.000 1.471 97 I CA -0.737 60.563 61.300 0.001 0.000 1.133 97 I CB 0.811 38.808 38.000 -0.004 0.000 1.184 97 I HN 0.504 nan 8.210 nan 0.000 0.451 98 G N 2.485 111.284 108.800 -0.002 0.000 2.321 98 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.237 98 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.237 98 G C -0.116 174.779 174.900 -0.008 0.000 1.282 98 G CA -0.032 45.065 45.100 -0.005 0.000 0.886 98 G HN 0.615 nan 8.290 nan 0.000 0.528 99 E N 1.155 121.350 120.200 -0.008 0.000 2.415 99 E HA 0.321 4.671 4.350 -0.000 0.000 0.263 99 E C 1.511 178.105 176.600 -0.010 0.000 0.995 99 E CA 0.771 57.165 56.400 -0.009 0.000 0.915 99 E CB -0.023 29.672 29.700 -0.007 0.000 0.951 99 E HN 1.028 nan 8.360 nan 0.000 0.449 100 G N 4.006 112.799 108.800 -0.011 0.000 2.267 100 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.257 100 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.257 100 G C -0.005 174.886 174.900 -0.015 0.000 0.998 100 G CA 0.560 45.653 45.100 -0.012 0.000 0.620 100 G HN 0.533 nan 8.290 nan 0.000 0.529 101 K N 0.942 121.333 120.400 -0.015 0.000 2.118 101 K HA 0.456 4.776 4.320 -0.000 0.000 0.254 101 K C -0.528 176.060 176.600 -0.020 0.000 0.961 101 K CA -1.017 55.261 56.287 -0.016 0.000 0.876 101 K CB 0.935 33.427 32.500 -0.013 0.000 1.077 101 K HN 0.064 nan 8.250 nan 0.000 0.440 102 D N 1.670 122.054 120.400 -0.027 0.000 2.515 102 D HA -0.072 4.567 4.640 -0.000 0.000 0.232 102 D C -0.419 175.868 176.300 -0.022 0.000 1.157 102 D CA 0.088 54.067 54.000 -0.035 0.000 0.871 102 D CB 0.381 41.154 40.800 -0.045 0.000 1.200 102 D HN 0.171 nan 8.370 nan 0.000 0.466 103 L N 2.771 123.981 121.223 -0.021 0.000 2.290 103 L HA 0.368 4.708 4.340 -0.000 0.000 0.284 103 L C -1.059 175.847 176.870 0.060 0.000 1.078 103 L CA -0.211 54.639 54.840 0.016 0.000 0.815 103 L CB 1.134 43.195 42.059 0.004 0.000 1.162 103 L HN 0.090 nan 8.230 nan 0.000 0.435 104 V N 7.092 127.058 119.914 0.086 0.000 2.531 104 V HA 0.622 4.742 4.120 -0.000 0.000 0.301 104 V C -0.463 175.733 176.094 0.170 0.000 1.034 104 V CA -0.384 61.957 62.300 0.068 0.000 0.865 104 V CB 1.119 32.945 31.823 0.005 0.000 0.995 104 V HN 0.774 nan 8.190 nan 0.000 0.424 105 F N 1.586 121.494 119.950 -0.070 0.000 2.662 105 F HA 0.892 5.419 4.527 -0.000 0.000 0.312 105 F C -0.235 175.538 175.800 -0.044 0.000 1.113 105 F CA -0.771 57.189 58.000 -0.066 0.000 0.951 105 F CB 1.817 40.746 39.000 -0.118 0.000 1.344 105 F HN 0.444 nan 8.300 nan 0.000 0.462 106 T N -0.112 114.469 114.554 0.045 0.000 2.895 106 T HA 0.815 5.165 4.350 -0.000 0.000 0.283 106 T C -0.622 174.172 174.700 0.157 0.000 1.014 106 T CA -0.423 61.663 62.100 -0.024 0.000 1.037 106 T CB 1.560 70.446 68.868 0.030 0.000 1.006 106 T HN 1.320 nan 8.240 nan 0.000 0.468 107 A N 2.554 125.466 122.820 0.152 0.000 2.431 107 A HA 0.620 4.940 4.320 -0.000 0.000 0.318 107 A C 0.258 178.063 177.584 0.367 0.000 1.330 107 A CA -0.758 51.532 52.037 0.421 0.000 0.804 107 A CB 0.238 19.560 19.000 0.536 0.000 1.135 107 A HN 0.827 nan 8.150 nan 0.000 0.483 108 T N 2.718 117.414 114.554 0.236 0.000 2.882 108 T HA 0.730 5.080 4.350 -0.000 0.000 0.287 108 T C -0.444 174.344 174.700 0.148 0.000 0.992 108 T CA 0.318 62.438 62.100 0.034 0.000 1.076 108 T CB 0.160 69.033 68.868 0.008 0.000 0.961 108 T HN 0.925 nan 8.240 nan 0.000 0.490 109 F N -0.678 119.297 119.950 0.042 0.000 2.978 109 F HA 0.624 5.150 4.527 -0.000 0.000 0.324 109 F C -1.204 174.614 175.800 0.029 0.000 1.157 109 F CA -1.431 56.588 58.000 0.031 0.000 0.879 109 F CB 0.936 39.976 39.000 0.067 0.000 1.364 109 F HN 0.361 nan 8.300 nan 0.000 0.465 110 E N 1.074 121.459 120.200 0.307 0.000 2.212 110 E HA 0.669 5.019 4.350 -0.000 0.000 0.270 110 E C -0.841 175.884 176.600 0.208 0.000 0.956 110 E CA -1.248 55.244 56.400 0.154 0.000 0.825 110 E CB 2.710 32.456 29.700 0.076 0.000 1.167 110 E HN 0.663 nan 8.360 nan 0.000 0.400 111 V N -0.942 119.026 119.914 0.091 0.000 3.204 111 V HA 0.494 4.614 4.120 -0.000 0.000 0.316 111 V C -0.839 175.231 176.094 -0.040 0.000 1.160 111 V CA -0.934 61.380 62.300 0.024 0.000 1.044 111 V CB 0.710 32.598 31.823 0.109 0.000 1.136 111 V HN 0.607 nan 8.190 nan 0.000 0.455 112 Y N 1.791 122.145 120.300 0.091 0.000 2.299 112 Y HA 0.497 5.047 4.550 -0.000 0.000 0.326 112 Y C -1.721 174.209 175.900 0.049 0.000 1.164 112 Y CA -2.136 56.002 58.100 0.063 0.000 1.234 112 Y CB 1.235 39.728 38.460 0.054 0.000 1.219 112 Y HN 0.536 nan 8.280 nan 0.000 0.497 113 P HA -0.051 nan 4.420 nan 0.000 0.267 113 P C -0.537 176.823 177.300 0.101 0.000 1.200 113 P CA 0.101 63.274 63.100 0.123 0.000 0.772 113 P CB 1.041 32.798 31.700 0.096 0.000 0.855 114 E N 0.662 120.904 120.200 0.070 0.000 2.251 114 E HA 0.068 4.418 4.350 -0.000 0.000 0.194 114 E C 0.278 176.900 176.600 0.035 0.000 0.964 114 E CA -0.237 56.194 56.400 0.053 0.000 0.868 114 E CB -0.351 29.375 29.700 0.044 0.000 0.828 114 E HN 0.076 nan 8.360 nan 0.000 0.481 115 V N 3.733 123.665 119.914 0.031 0.000 2.625 115 V HA -0.096 4.024 4.120 -0.000 0.000 0.305 115 V C 0.736 176.841 176.094 0.017 0.000 1.055 115 V CA 0.589 62.901 62.300 0.020 0.000 1.209 115 V CB 0.170 32.004 31.823 0.018 0.000 0.877 115 V HN 0.235 nan 8.190 nan 0.000 0.489 116 E N 3.828 124.035 120.200 0.011 0.000 2.408 116 E HA 0.202 4.552 4.350 -0.000 0.000 0.259 116 E C -0.072 176.532 176.600 0.006 0.000 1.110 116 E CA -0.292 56.112 56.400 0.007 0.000 0.929 116 E CB 0.680 30.382 29.700 0.003 0.000 0.971 116 E HN 0.474 nan 8.360 nan 0.000 0.438 117 L N 1.844 123.069 121.223 0.004 0.000 2.453 117 L HA 0.042 4.382 4.340 -0.000 0.000 0.272 117 L C 0.749 177.620 176.870 0.003 0.000 1.182 117 L CA -0.381 54.461 54.840 0.003 0.000 0.858 117 L CB -0.055 42.004 42.059 0.001 0.000 1.120 117 L HN 0.273 nan 8.230 nan 0.000 0.474 118 K N 2.248 122.650 120.400 0.003 0.000 2.491 118 K HA 0.091 4.411 4.320 -0.000 0.000 0.279 118 K C 1.015 177.616 176.600 0.003 0.000 1.026 118 K CA 1.167 57.456 56.287 0.003 0.000 1.070 118 K CB 0.044 32.546 32.500 0.004 0.000 0.887 118 K HN 0.746 nan 8.250 nan 0.000 0.481 119 G N 3.284 112.085 108.800 0.001 0.000 2.189 119 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.267 119 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.267 119 G C 0.415 175.317 174.900 0.004 0.000 0.975 119 G CA 0.698 45.799 45.100 0.003 0.000 0.644 119 G HN 0.555 nan 8.290 nan 0.000 0.537 120 L N 0.056 121.281 121.223 0.003 0.000 2.959 120 L HA 0.350 4.690 4.340 -0.000 0.000 0.259 120 L C 0.289 177.160 176.870 0.003 0.000 1.185 120 L CA -0.571 54.271 54.840 0.003 0.000 0.998 120 L CB 0.461 42.522 42.059 0.003 0.000 1.337 120 L HN 0.052 nan 8.230 nan 0.000 0.555 121 E N 1.912 122.113 120.200 0.001 0.000 2.729 121 E HA -0.080 4.270 4.350 -0.000 0.000 0.246 121 E C 0.308 176.909 176.600 0.002 0.000 0.984 121 E CA 0.306 56.706 56.400 -0.000 0.000 0.951 121 E CB -0.362 29.334 29.700 -0.005 0.000 0.914 121 E HN 0.184 nan 8.360 nan 0.000 0.509 122 N N 2.297 121.000 118.700 0.005 0.000 2.696 122 N HA -0.287 4.453 4.740 -0.000 0.000 0.249 122 N C 0.474 175.990 175.510 0.009 0.000 1.090 122 N CA 0.583 53.638 53.050 0.008 0.000 0.716 122 N CB -0.832 37.660 38.487 0.008 0.000 1.020 122 N HN 0.563 nan 8.380 nan 0.000 0.548 123 I N -0.378 120.196 120.570 0.008 0.000 2.928 123 I HA 0.001 4.171 4.170 -0.000 0.000 0.266 123 I C 0.820 176.943 176.117 0.011 0.000 1.234 123 I CA 0.652 61.958 61.300 0.010 0.000 1.483 123 I CB 0.193 38.197 38.000 0.008 0.000 1.097 123 I HN 0.297 nan 8.210 nan 0.000 0.455 124 A N 0.736 123.561 122.820 0.009 0.000 2.356 124 A HA 0.668 4.988 4.320 -0.000 0.000 0.310 124 A C -0.814 176.777 177.584 0.010 0.000 1.075 124 A CA -0.364 51.678 52.037 0.009 0.000 0.746 124 A CB 1.302 20.305 19.000 0.005 0.000 1.221 124 A HN 0.117 nan 8.150 nan 0.000 0.443 125 V N -0.381 119.541 119.914 0.012 0.000 3.078 125 V HA 0.758 4.878 4.120 -0.000 0.000 0.311 125 V C -0.540 175.561 176.094 0.012 0.000 1.138 125 V CA -0.798 61.510 62.300 0.013 0.000 1.007 125 V CB 1.596 33.428 31.823 0.016 0.000 1.045 125 V HN 0.982 nan 8.190 nan 0.000 0.432 126 E N 1.812 122.019 120.200 0.012 0.000 2.242 126 E HA 0.434 4.784 4.350 -0.000 0.000 0.275 126 E C -0.046 176.560 176.600 0.011 0.000 1.002 126 E CA -0.886 55.520 56.400 0.010 0.000 0.841 126 E CB 1.501 31.207 29.700 0.011 0.000 1.109 126 E HN 0.874 nan 8.360 nan 0.000 0.394 127 K N 3.237 123.643 120.400 0.009 0.000 2.344 127 K HA 0.093 4.413 4.320 -0.000 0.000 0.260 127 K C -1.995 174.611 176.600 0.011 0.000 0.988 127 K CA -0.823 55.471 56.287 0.010 0.000 0.909 127 K CB -0.213 32.292 32.500 0.007 0.000 0.968 127 K HN 0.191 nan 8.250 nan 0.000 0.505 128 P HA -0.264 nan 4.420 nan 0.000 0.216 128 P C -0.199 177.108 177.300 0.010 0.000 1.057 128 P CA 1.430 64.537 63.100 0.012 0.000 0.932 128 P CB -0.426 31.281 31.700 0.011 0.000 0.567 135 A N 0.430 123.245 122.820 -0.008 0.000 2.275 135 A HA 0.564 4.884 4.320 -0.000 0.000 0.212 135 A C 0.775 178.350 177.584 -0.014 0.000 1.201 135 A CA 2.013 54.045 52.037 -0.009 0.000 0.843 135 A CB -0.344 18.652 19.000 -0.006 0.000 0.873 135 A HN 0.997 nan 8.150 nan 0.000 0.492 136 D N -5.145 115.244 120.400 -0.019 0.000 3.914 136 D HA -0.131 4.509 4.640 -0.000 0.000 0.368 136 D C 0.201 176.479 176.300 -0.036 0.000 1.605 136 D CA 0.023 54.006 54.000 -0.028 0.000 0.896 136 D CB -0.188 40.596 40.800 -0.027 0.000 1.465 136 D HN 0.189 nan 8.370 nan 0.000 0.553 137 V N 0.214 120.100 119.914 -0.047 0.000 3.366 137 V HA -0.032 4.088 4.120 -0.000 0.000 0.277 137 V C 1.446 177.507 176.094 -0.055 0.000 1.247 137 V CA 2.562 64.821 62.300 -0.068 0.000 1.236 137 V CB -1.430 30.346 31.823 -0.078 0.000 0.943 137 V HN 0.656 nan 8.190 nan 0.000 0.581 138 A N 0.729 123.529 122.820 -0.033 0.000 1.881 138 A HA -0.036 4.284 4.320 -0.000 0.000 0.210 138 A C 2.013 179.590 177.584 -0.012 0.000 1.239 138 A CA 0.807 52.835 52.037 -0.015 0.000 0.629 138 A CB -0.390 18.605 19.000 -0.007 0.000 0.906 138 A HN 0.749 nan 8.150 nan 0.000 0.460 139 E N -0.206 119.984 120.200 -0.015 0.000 2.160 139 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 139 E C 1.880 178.470 176.600 -0.018 0.000 0.991 139 E CA 1.665 58.058 56.400 -0.012 0.000 0.810 139 E CB -0.434 29.258 29.700 -0.013 0.000 0.742 139 E HN 0.573 nan 8.360 nan 0.000 0.466 140 M N 0.398 119.975 119.600 -0.039 0.000 2.200 140 M HA -0.029 4.451 4.480 -0.000 0.000 0.265 140 M C 2.375 178.642 176.300 -0.056 0.000 1.066 140 M CA 1.029 56.293 55.300 -0.061 0.000 1.127 140 M CB -0.163 32.375 32.600 -0.104 0.000 1.379 140 M HN 0.216 nan 8.290 nan 0.000 0.420 141 L N 0.021 121.217 121.223 -0.045 0.000 2.083 141 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 141 L C 2.188 179.126 176.870 0.112 0.000 1.083 141 L CA 1.500 56.347 54.840 0.011 0.000 0.752 141 L CB -0.504 41.587 42.059 0.053 0.000 0.899 141 L HN 0.373 nan 8.230 nan 0.000 0.433 142 E N -0.869 119.369 120.200 0.063 0.000 2.077 142 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 142 E C 2.051 178.678 176.600 0.045 0.000 0.989 142 E CA 1.664 58.097 56.400 0.056 0.000 0.800 142 E CB -0.074 29.640 29.700 0.023 0.000 0.746 142 E HN 0.390 nan 8.360 nan 0.000 0.452 143 T N 1.398 115.966 114.554 0.024 0.000 2.746 143 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 143 T C 1.744 176.466 174.700 0.036 0.000 1.039 143 T CA 0.787 62.896 62.100 0.015 0.000 1.142 143 T CB -0.182 68.683 68.868 -0.005 0.000 0.866 143 T HN 0.024 nan 8.240 nan 0.000 0.444 144 L N 0.947 122.202 121.223 0.053 0.000 2.201 144 L HA 0.112 4.452 4.340 -0.000 0.000 0.212 144 L C 2.375 179.369 176.870 0.207 0.000 1.105 144 L CA 1.535 56.434 54.840 0.099 0.000 0.775 144 L CB -0.475 41.610 42.059 0.043 0.000 0.913 144 L HN 0.064 nan 8.230 nan 0.000 0.440 145 R N -0.480 120.148 120.500 0.214 0.000 2.061 145 R HA -0.145 4.195 4.340 -0.000 0.000 0.230 145 R C 2.276 178.589 176.300 0.022 0.000 1.140 145 R CA 1.726 57.909 56.100 0.137 0.000 0.940 145 R CB -0.103 30.232 30.300 0.059 0.000 0.839 145 R HN 0.312 nan 8.270 nan 0.000 0.429 146 K N 0.158 120.556 120.400 -0.002 0.000 2.152 146 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 146 K C 2.171 178.746 176.600 -0.043 0.000 1.048 146 K CA 1.606 57.861 56.287 -0.053 0.000 0.933 146 K CB -0.024 32.452 32.500 -0.041 0.000 0.721 146 K HN 0.343 nan 8.250 nan 0.000 0.447 147 Q N 0.319 120.123 119.800 0.007 0.000 2.230 147 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 147 Q C 1.555 177.567 176.000 0.021 0.000 0.963 147 Q CA 0.964 56.778 55.803 0.018 0.000 0.866 147 Q CB 0.133 28.892 28.738 0.035 0.000 0.931 147 Q HN 0.338 nan 8.270 nan 0.000 0.452 148 Q N -0.203 119.620 119.800 0.038 0.000 2.360 148 Q HA 0.202 4.542 4.340 -0.000 0.000 0.202 148 Q C -0.257 175.729 176.000 -0.023 0.000 0.915 148 Q CA -0.339 55.489 55.803 0.041 0.000 0.943 148 Q CB 0.613 29.424 28.738 0.121 0.000 1.064 148 Q HN 0.201 nan 8.270 nan 0.000 0.511 149 A N 0.522 123.296 122.820 -0.077 0.000 2.371 149 A HA 0.354 4.674 4.320 -0.000 0.000 0.257 149 A C -0.012 177.472 177.584 -0.168 0.000 1.089 149 A CA 0.012 51.952 52.037 -0.161 0.000 0.794 149 A CB 0.854 19.700 19.000 -0.258 0.000 1.029 149 A HN 0.073 nan 8.150 nan 0.000 0.488 150 T N 1.455 115.908 114.554 -0.167 0.000 2.841 150 T HA 0.492 4.842 4.350 -0.000 0.000 0.283 150 T C -1.117 173.530 174.700 -0.088 0.000 1.000 150 T CA -0.342 61.708 62.100 -0.084 0.000 0.977 150 T CB 0.256 69.117 68.868 -0.011 0.000 0.979 150 T HN 0.510 nan 8.240 nan 0.000 0.446 151 W N 3.911 125.210 121.300 -0.001 0.000 2.311 151 W HA 0.585 5.245 4.660 -0.000 0.000 0.310 151 W C 0.363 176.882 176.519 0.000 0.000 1.274 151 W CA -0.547 56.797 57.345 -0.001 0.000 1.215 151 W CB 0.897 30.355 29.460 -0.003 0.000 1.227 151 W HN 0.401 nan 8.180 nan 0.000 0.523 152 K N 2.502 123.070 120.400 0.280 0.000 2.427 152 K HA 0.182 4.502 4.320 -0.000 0.000 0.252 152 K C -0.600 176.088 176.600 0.145 0.000 0.931 152 K CA -0.893 55.491 56.287 0.163 0.000 0.793 152 K CB 1.431 33.986 32.500 0.091 0.000 1.211 152 K HN 0.448 nan 8.250 nan 0.000 0.426 153 E N 1.731 121.991 120.200 0.100 0.000 2.442 153 E HA 0.193 4.543 4.350 -0.000 0.000 0.262 153 E C -0.733 175.909 176.600 0.069 0.000 1.004 153 E CA -0.012 56.433 56.400 0.075 0.000 0.928 153 E CB 0.484 30.215 29.700 0.050 0.000 0.937 153 E HN 0.380 nan 8.360 nan 0.000 0.446 154 V N 0.786 120.739 119.914 0.065 0.000 2.971 154 V HA 0.237 4.357 4.120 -0.000 0.000 0.309 154 V C -0.350 175.771 176.094 0.046 0.000 1.130 154 V CA -0.984 61.349 62.300 0.055 0.000 0.964 154 V CB 1.973 33.835 31.823 0.065 0.000 1.029 154 V HN 0.553 nan 8.190 nan 0.000 0.427 155 D N 1.675 122.097 120.400 0.037 0.000 2.348 155 D HA 0.109 4.749 4.640 -0.000 0.000 0.248 155 D C 0.730 177.050 176.300 0.032 0.000 1.142 155 D CA 0.540 54.559 54.000 0.032 0.000 0.904 155 D CB 0.128 40.943 40.800 0.025 0.000 0.901 155 D HN 0.661 nan 8.370 nan 0.000 0.523 156 E N 0.141 120.364 120.200 0.039 0.000 2.351 156 E HA 0.508 4.858 4.350 -0.000 0.000 0.255 156 E C 0.134 176.757 176.600 0.039 0.000 1.188 156 E CA -0.464 55.959 56.400 0.038 0.000 0.940 156 E CB 0.994 30.722 29.700 0.047 0.000 1.094 156 E HN 0.051 nan 8.360 nan 0.000 0.474 157 A N 0.244 123.085 122.820 0.035 0.000 2.269 157 A HA 0.616 4.936 4.320 -0.000 0.000 0.327 157 A C -0.403 177.206 177.584 0.041 0.000 1.112 157 A CA -0.234 51.823 52.037 0.033 0.000 0.865 157 A CB 0.798 19.808 19.000 0.017 0.000 1.227 157 A HN 0.543 nan 8.150 nan 0.000 0.498 158 A N 1.173 124.019 122.820 0.043 0.000 2.438 158 A HA 0.542 4.862 4.320 -0.000 0.000 0.280 158 A C -0.024 177.584 177.584 0.041 0.000 1.160 158 A CA 0.120 52.187 52.037 0.050 0.000 0.821 158 A CB -0.331 18.708 19.000 0.064 0.000 1.101 158 A HN 0.680 nan 8.150 nan 0.000 0.515 159 E N 1.637 121.866 120.200 0.049 0.000 2.429 159 E HA 0.226 4.576 4.350 -0.000 0.000 0.276 159 E C -0.894 175.741 176.600 0.058 0.000 0.953 159 E CA -1.090 55.336 56.400 0.044 0.000 0.787 159 E CB 0.789 30.511 29.700 0.037 0.000 1.307 159 E HN 0.657 nan 8.360 nan 0.000 0.458 160 N N 0.538 119.269 118.700 0.052 0.000 2.294 160 N HA 0.055 4.795 4.740 -0.000 0.000 0.263 160 N C 1.046 176.604 175.510 0.080 0.000 1.281 160 N CA 1.742 54.829 53.050 0.061 0.000 0.846 160 N CB 0.559 39.074 38.487 0.048 0.000 1.061 160 N HN 0.824 nan 8.380 nan 0.000 0.478 161 G N 1.692 110.557 108.800 0.109 0.000 2.475 161 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.209 161 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.209 161 G C -0.051 175.005 174.900 0.260 0.000 1.127 161 G CA -0.323 44.870 45.100 0.155 0.000 0.681 161 G HN 0.486 nan 8.290 nan 0.000 0.517 162 K N 1.113 121.632 120.400 0.199 0.000 2.258 162 K HA 0.457 4.777 4.320 -0.000 0.000 0.264 162 K C 0.304 176.942 176.600 0.062 0.000 1.007 162 K CA -0.400 56.017 56.287 0.216 0.000 0.941 162 K CB 1.158 33.734 32.500 0.126 0.000 0.966 162 K HN 0.498 nan 8.250 nan 0.000 0.480 163 R N 1.097 121.492 120.500 -0.176 0.000 2.295 163 R HA 0.288 4.628 4.340 -0.000 0.000 0.324 163 R C -1.114 175.038 176.300 -0.247 0.000 0.968 163 R CA -0.492 55.337 56.100 -0.451 0.000 0.837 163 R CB 0.853 30.405 30.300 -1.247 0.000 1.133 163 R HN 0.277 nan 8.270 nan 0.000 0.450 164 V N 3.517 123.356 119.914 -0.124 0.000 2.334 164 V HA 0.208 4.328 4.120 -0.000 0.000 0.281 164 V C 0.165 176.255 176.094 -0.006 0.000 1.016 164 V CA -0.708 61.574 62.300 -0.029 0.000 0.832 164 V CB 1.276 33.134 31.823 0.058 0.000 0.999 164 V HN 0.782 nan 8.190 nan 0.000 0.439 165 S N 6.718 122.401 115.700 -0.027 0.000 2.481 165 S HA 0.631 5.101 4.470 -0.000 0.000 0.276 165 S C -0.318 174.332 174.600 0.083 0.000 1.247 165 S CA -0.405 57.795 58.200 0.000 0.000 1.053 165 S CB -0.196 62.983 63.200 -0.036 0.000 0.925 165 S HN 0.694 nan 8.310 nan 0.000 0.491 166 I N 1.055 121.728 120.570 0.173 0.000 2.969 166 I HA 0.726 4.896 4.170 -0.000 0.000 0.307 166 I C -1.530 174.695 176.117 0.180 0.000 1.149 166 I CA -1.112 60.309 61.300 0.201 0.000 1.008 166 I CB 2.378 40.571 38.000 0.321 0.000 1.232 166 I HN 0.277 nan 8.210 nan 0.000 0.435 167 D N 4.147 124.608 120.400 0.103 0.000 2.362 167 D HA 0.718 5.358 4.640 -0.000 0.000 0.247 167 D C -1.158 175.202 176.300 0.100 0.000 1.050 167 D CA 0.245 54.243 54.000 -0.003 0.000 0.839 167 D CB 2.064 42.847 40.800 -0.028 0.000 1.283 167 D HN 0.553 nan 8.370 nan 0.000 0.477 168 F N -0.275 119.720 119.950 0.076 0.000 2.641 168 F HA 0.670 5.197 4.527 -0.000 0.000 0.308 168 F C -1.672 174.200 175.800 0.121 0.000 1.105 168 F CA -1.330 56.745 58.000 0.125 0.000 0.964 168 F CB 1.129 40.297 39.000 0.279 0.000 1.294 168 F HN 0.102 nan 8.300 nan 0.000 0.442 169 V N 2.409 122.535 119.914 0.352 0.000 2.567 169 V HA 0.872 4.991 4.120 -0.000 0.000 0.298 169 V C -0.317 175.677 176.094 -0.167 0.000 1.047 169 V CA 0.008 62.355 62.300 0.079 0.000 0.880 169 V CB 1.120 32.910 31.823 -0.055 0.000 1.009 169 V HN 1.416 nan 8.190 nan 0.000 0.429 170 G N 4.649 113.119 108.800 -0.550 0.000 2.451 170 G HA2 0.759 4.719 3.960 -0.000 0.000 0.303 170 G HA3 0.759 4.719 3.960 -0.000 0.000 0.303 170 G C -0.340 173.944 174.900 -1.027 0.000 1.166 170 G CA 0.163 44.522 45.100 -1.236 0.000 0.884 170 G HN 1.678 nan 8.290 nan 0.000 0.514 171 S N -0.276 115.117 115.700 -0.513 0.000 2.567 171 S HA 0.479 4.949 4.470 -0.000 0.000 0.270 171 S C 0.106 174.786 174.600 0.134 0.000 1.152 171 S CA -0.799 57.288 58.200 -0.187 0.000 0.835 171 S CB 1.254 64.344 63.200 -0.184 0.000 1.115 171 S HN 0.246 nan 8.310 nan 0.000 0.459 172 I N 0.684 121.364 120.570 0.183 0.000 3.025 172 I HA 0.248 4.418 4.170 -0.000 0.000 0.236 172 I C 0.437 176.591 176.117 0.061 0.000 1.063 172 I CA 0.725 62.106 61.300 0.134 0.000 1.476 172 I CB -0.827 37.246 38.000 0.121 0.000 1.331 172 I HN 0.723 nan 8.210 nan 0.000 0.457 173 D N 0.724 121.151 120.400 0.044 0.000 3.008 173 D HA 0.386 5.026 4.640 -0.000 0.000 0.312 173 D C 0.972 177.277 176.300 0.009 0.000 1.361 173 D CA 0.408 54.422 54.000 0.022 0.000 0.858 173 D CB 0.945 41.756 40.800 0.019 0.000 1.098 173 D HN 0.562 nan 8.370 nan 0.000 0.482 174 G N -0.047 108.753 108.800 -0.000 0.000 2.175 174 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 174 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 174 G C 0.376 175.261 174.900 -0.025 0.000 0.982 174 G CA -0.127 44.963 45.100 -0.017 0.000 0.641 174 G HN 0.327 nan 8.290 nan 0.000 0.527 175 V N 1.347 121.255 119.914 -0.010 0.000 2.370 175 V HA 0.429 4.549 4.120 -0.000 0.000 0.279 175 V C 0.355 176.425 176.094 -0.040 0.000 1.029 175 V CA -0.707 61.586 62.300 -0.011 0.000 0.870 175 V CB 1.581 33.417 31.823 0.022 0.000 0.984 175 V HN 0.373 nan 8.190 nan 0.000 0.451 176 E N 4.949 125.085 120.200 -0.106 0.000 2.180 176 E HA 0.325 4.675 4.350 -0.000 0.000 0.283 176 E C -0.557 175.932 176.600 -0.184 0.000 1.061 176 E CA -0.249 55.997 56.400 -0.256 0.000 0.861 176 E CB 0.629 30.190 29.700 -0.232 0.000 1.056 176 E HN 0.606 nan 8.360 nan 0.000 0.407 177 F N 0.094 120.021 119.950 -0.037 0.000 2.380 177 F HA 0.279 4.806 4.527 -0.000 0.000 0.325 177 F C 0.573 176.376 175.800 0.005 0.000 1.136 177 F CA -1.227 56.760 58.000 -0.022 0.000 1.171 177 F CB 0.278 39.255 39.000 -0.038 0.000 1.230 177 F HN 0.230 nan 8.300 nan 0.000 0.554 178 E N 0.511 120.862 120.200 0.252 0.000 2.417 178 E HA 0.320 4.670 4.350 -0.000 0.000 0.261 178 E C 0.813 177.563 176.600 0.251 0.000 1.000 178 E CA 0.763 57.266 56.400 0.171 0.000 0.919 178 E CB 0.397 30.172 29.700 0.124 0.000 0.955 178 E HN 1.087 nan 8.360 nan 0.000 0.455 179 G N 2.774 111.676 108.800 0.168 0.000 2.160 179 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.244 179 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.244 179 G C 0.595 175.684 174.900 0.315 0.000 1.022 179 G CA -0.012 45.215 45.100 0.213 0.000 0.741 179 G HN 0.744 nan 8.290 nan 0.000 0.508 180 G N -0.739 108.177 108.800 0.192 0.000 3.453 180 G HA2 0.457 4.417 3.960 -0.000 0.000 0.263 180 G HA3 0.457 4.417 3.960 -0.000 0.000 0.263 180 G C 0.363 175.386 174.900 0.204 0.000 1.060 180 G CA 0.543 45.783 45.100 0.234 0.000 0.793 180 G HN 0.560 nan 8.290 nan 0.000 0.532 181 K N 0.800 121.234 120.400 0.057 0.000 2.358 181 K HA 0.700 5.020 4.320 -0.000 0.000 0.260 181 K C -1.144 175.320 176.600 -0.227 0.000 0.956 181 K CA -0.579 55.662 56.287 -0.076 0.000 0.834 181 K CB 1.511 33.958 32.500 -0.089 0.000 1.102 181 K HN 0.038 nan 8.250 nan 0.000 0.431 182 A N 4.188 126.645 122.820 -0.604 0.000 2.422 182 A HA 0.480 4.800 4.320 -0.000 0.000 0.302 182 A C -1.239 176.074 177.584 -0.451 0.000 1.041 182 A CA -0.841 50.823 52.037 -0.621 0.000 0.708 182 A CB 1.195 19.572 19.000 -1.038 0.000 1.257 182 A HN 0.734 nan 8.150 nan 0.000 0.414 183 E N 1.541 121.624 120.200 -0.194 0.000 2.221 183 E HA 0.292 4.642 4.350 -0.000 0.000 0.268 183 E C -0.632 175.953 176.600 -0.024 0.000 0.933 183 E CA -1.073 55.268 56.400 -0.098 0.000 0.809 183 E CB 0.927 30.589 29.700 -0.065 0.000 1.190 183 E HN 0.646 nan 8.360 nan 0.000 0.406 184 N N 1.095 119.795 118.700 0.000 0.000 2.701 184 N HA -0.252 4.488 4.740 -0.000 0.000 0.252 184 N C -0.547 174.989 175.510 0.043 0.000 1.002 184 N CA 0.767 53.825 53.050 0.014 0.000 0.758 184 N CB -1.421 37.057 38.487 -0.014 0.000 0.937 184 N HN 0.427 nan 8.380 nan 0.000 0.538 185 F N 2.348 122.271 119.950 -0.046 0.000 2.456 185 F HA 0.289 4.816 4.527 -0.000 0.000 0.358 185 F C -1.893 173.917 175.800 0.017 0.000 1.095 185 F CA -1.961 56.038 58.000 -0.002 0.000 1.216 185 F CB 0.965 40.008 39.000 0.072 0.000 1.125 185 F HN -0.031 nan 8.300 nan 0.000 0.549 186 P HA 0.178 nan 4.420 nan 0.000 0.291 186 P C -1.102 175.866 177.300 -0.553 0.000 1.378 186 P CA -0.198 62.619 63.100 -0.471 0.000 0.853 186 P CB 1.342 32.784 31.700 -0.430 0.000 1.002 187 L N 3.472 124.606 121.223 -0.149 0.000 2.257 187 L HA 0.307 4.647 4.340 -0.000 0.000 0.290 187 L C 0.486 177.338 176.870 -0.030 0.000 1.044 187 L CA -0.522 54.350 54.840 0.053 0.000 0.810 187 L CB 0.792 43.043 42.059 0.320 0.000 1.193 187 L HN 0.366 nan 8.230 nan 0.000 0.425 188 E N 6.156 126.332 120.200 -0.040 0.000 2.001 188 E HA 0.144 4.494 4.350 -0.000 0.000 0.279 188 E C -0.404 176.224 176.600 0.047 0.000 1.045 188 E CA -0.934 55.453 56.400 -0.023 0.000 0.833 188 E CB 0.663 30.363 29.700 0.000 0.000 1.077 188 E HN 0.519 nan 8.360 nan 0.000 0.397 189 M N 2.546 122.181 119.600 0.057 0.000 2.290 189 M HA 0.031 4.511 4.480 -0.000 0.000 0.356 189 M C 1.241 177.585 176.300 0.073 0.000 1.448 189 M CA 1.205 56.548 55.300 0.072 0.000 0.993 189 M CB -0.276 32.365 32.600 0.070 0.000 1.934 189 M HN 0.890 nan 8.290 nan 0.000 0.461 190 G N 2.483 111.322 108.800 0.064 0.000 2.195 190 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.224 190 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.224 190 G C 0.742 175.675 174.900 0.055 0.000 0.990 190 G CA 0.439 45.573 45.100 0.057 0.000 0.639 190 G HN 0.923 nan 8.290 nan 0.000 0.514 191 A N 0.608 123.463 122.820 0.059 0.000 2.218 191 A HA 0.573 4.893 4.320 -0.000 0.000 0.209 191 A C 2.280 179.892 177.584 0.047 0.000 1.168 191 A CA 1.523 53.592 52.037 0.054 0.000 0.804 191 A CB -0.535 18.497 19.000 0.054 0.000 0.834 191 A HN 2.351 nan 8.150 nan 0.000 0.482 192 G N 0.171 108.999 108.800 0.046 0.000 2.386 192 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.295 192 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.295 192 G C 0.648 175.570 174.900 0.035 0.000 0.979 192 G CA 0.666 45.788 45.100 0.038 0.000 1.193 192 G HN 0.582 nan 8.290 nan 0.000 0.508 193 R N -1.043 119.481 120.500 0.039 0.000 2.362 193 R HA 0.246 4.586 4.340 -0.000 0.000 0.227 193 R C 0.876 177.175 176.300 -0.002 0.000 0.905 193 R CA 0.203 56.330 56.100 0.044 0.000 1.067 193 R CB 0.191 30.543 30.300 0.086 0.000 1.078 193 R HN 0.404 nan 8.270 nan 0.000 0.516 194 M N 1.105 120.664 119.600 -0.069 0.000 2.664 194 M HA 0.345 4.825 4.480 -0.000 0.000 0.314 194 M C 0.183 176.401 176.300 -0.136 0.000 1.200 194 M CA -1.404 53.758 55.300 -0.230 0.000 0.916 194 M CB 1.585 33.864 32.600 -0.536 0.000 1.717 194 M HN -0.057 nan 8.290 nan 0.000 0.470 195 I N 1.738 122.206 120.570 -0.171 0.000 2.826 195 I HA 0.093 4.263 4.170 -0.000 0.000 0.295 195 I C -1.938 174.127 176.117 -0.088 0.000 1.213 195 I CA -1.270 59.968 61.300 -0.104 0.000 1.436 195 I CB -0.508 37.352 38.000 -0.235 0.000 1.348 195 I HN 0.340 nan 8.210 nan 0.000 0.570 196 P HA -0.018 nan 4.420 nan 0.000 0.263 196 P C 0.858 178.131 177.300 -0.045 0.000 1.175 196 P CA 1.184 64.269 63.100 -0.025 0.000 0.761 196 P CB 0.855 32.547 31.700 -0.012 0.000 0.794 197 G N 2.137 110.922 108.800 -0.025 0.000 2.313 197 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.215 197 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.215 197 G C 0.614 175.482 174.900 -0.054 0.000 1.023 197 G CA 0.184 45.257 45.100 -0.046 0.000 0.626 197 G HN 0.476 nan 8.290 nan 0.000 0.503 198 F N 1.663 121.488 119.950 -0.209 0.000 1.999 198 F HA 0.142 4.669 4.527 -0.000 0.000 0.293 198 F C 2.629 178.335 175.800 -0.156 0.000 1.173 198 F CA 2.721 60.559 58.000 -0.270 0.000 1.162 198 F CB -0.345 38.407 39.000 -0.413 0.000 0.981 198 F HN 0.305 nan 8.300 nan 0.000 0.479 199 E N 0.165 120.517 120.200 0.252 0.000 2.049 199 E HA -0.285 4.065 4.350 -0.000 0.000 0.198 199 E C 1.366 177.993 176.600 0.045 0.000 1.007 199 E CA 1.807 58.303 56.400 0.160 0.000 0.809 199 E CB -0.427 29.351 29.700 0.130 0.000 0.749 199 E HN 0.451 nan 8.360 nan 0.000 0.450 200 D N -0.702 119.712 120.400 0.023 0.000 2.417 200 D HA -0.098 4.542 4.640 -0.000 0.000 0.240 200 D C 0.871 177.146 176.300 -0.042 0.000 1.062 200 D CA 1.064 55.059 54.000 -0.008 0.000 0.959 200 D CB 0.097 40.892 40.800 -0.009 0.000 0.877 200 D HN 0.351 nan 8.370 nan 0.000 0.528 201 G N -0.597 108.165 108.800 -0.063 0.000 4.399 201 G HA2 0.198 4.158 3.960 -0.000 0.000 0.268 201 G HA3 0.198 4.158 3.960 -0.000 0.000 0.268 201 G C 0.965 175.799 174.900 -0.109 0.000 1.038 201 G CA -0.255 44.784 45.100 -0.101 0.000 0.811 201 G HN 0.222 nan 8.290 nan 0.000 0.408 202 I N 0.785 121.325 120.570 -0.049 0.000 4.139 202 I HA 0.158 4.328 4.170 -0.000 0.000 0.320 202 I C 1.135 177.252 176.117 -0.001 0.000 1.290 202 I CA -0.006 61.313 61.300 0.032 0.000 1.253 202 I CB 1.425 39.491 38.000 0.111 0.000 1.122 202 I HN 0.029 nan 8.210 nan 0.000 0.421 203 V N 1.693 121.598 119.914 -0.015 0.000 2.599 203 V HA 0.326 4.446 4.120 -0.000 0.000 0.300 203 V C 1.115 177.179 176.094 -0.049 0.000 1.034 203 V CA 1.246 63.539 62.300 -0.012 0.000 1.115 203 V CB 0.350 32.170 31.823 -0.005 0.000 0.934 203 V HN 0.692 nan 8.190 nan 0.000 0.485 204 G N 4.370 113.152 108.800 -0.030 0.000 2.254 204 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.225 204 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.225 204 G C 0.220 175.088 174.900 -0.054 0.000 1.003 204 G CA 0.174 45.246 45.100 -0.047 0.000 0.622 204 G HN 0.849 nan 8.290 nan 0.000 0.507 205 K N 1.885 122.250 120.400 -0.059 0.000 2.154 205 K HA 0.611 4.931 4.320 -0.000 0.000 0.264 205 K C 0.823 177.454 176.600 0.051 0.000 1.008 205 K CA 0.559 56.830 56.287 -0.027 0.000 0.937 205 K CB 1.171 33.672 32.500 0.003 0.000 1.002 205 K HN 0.623 nan 8.250 nan 0.000 0.469 206 T N -2.266 112.330 114.554 0.069 0.000 2.841 206 T HA 0.313 4.663 4.350 -0.000 0.000 0.276 206 T C -0.033 174.720 174.700 0.088 0.000 1.003 206 T CA -1.007 61.133 62.100 0.068 0.000 0.995 206 T CB 1.269 70.164 68.868 0.044 0.000 1.260 206 T HN 0.388 nan 8.240 nan 0.000 0.581 207 K N 0.124 120.563 120.400 0.066 0.000 2.436 207 K HA 0.345 4.665 4.320 -0.000 0.000 0.282 207 K C 1.282 177.917 176.600 0.058 0.000 1.044 207 K CA 1.120 57.442 56.287 0.059 0.000 1.028 207 K CB -0.645 31.880 32.500 0.043 0.000 0.919 207 K HN 1.074 nan 8.250 nan 0.000 0.474 208 G N 3.614 112.449 108.800 0.058 0.000 2.279 208 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.223 208 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.223 208 G C 0.222 175.162 174.900 0.067 0.000 1.015 208 G CA -0.050 45.079 45.100 0.049 0.000 0.621 208 G HN 0.573 nan 8.290 nan 0.000 0.506 209 M N 1.369 121.039 119.600 0.117 0.000 2.249 209 M HA 0.379 4.859 4.480 -0.000 0.000 0.340 209 M C 0.205 176.596 176.300 0.151 0.000 1.166 209 M CA 1.016 56.431 55.300 0.192 0.000 1.115 209 M CB 0.325 33.109 32.600 0.307 0.000 1.606 209 M HN 0.298 nan 8.290 nan 0.000 0.448 210 E N 2.969 123.250 120.200 0.135 0.000 2.248 210 E HA 0.731 5.081 4.350 -0.000 0.000 0.267 210 E C -1.418 175.219 176.600 0.062 0.000 0.877 210 E CA -0.561 55.794 56.400 -0.073 0.000 0.759 210 E CB 2.157 31.833 29.700 -0.039 0.000 1.182 210 E HN 0.525 nan 8.360 nan 0.000 0.418 211 F N -1.636 118.315 119.950 0.003 0.000 2.858 211 F HA 0.550 5.077 4.527 0.000 0.000 0.319 211 F C -1.794 173.999 175.800 -0.011 0.000 1.166 211 F CA -1.183 56.811 58.000 -0.009 0.000 0.899 211 F CB 0.501 39.490 39.000 -0.020 0.000 1.332 211 F HN 0.144 nan 8.300 nan 0.000 0.461 212 V N 2.545 122.602 119.914 0.239 0.000 2.555 212 V HA 0.693 4.813 4.120 -0.000 0.000 0.302 212 V C -0.162 176.039 176.094 0.178 0.000 1.038 212 V CA -0.731 61.648 62.300 0.132 0.000 0.887 212 V CB 1.697 33.560 31.823 0.067 0.000 0.991 212 V HN 0.851 nan 8.190 nan 0.000 0.434 213 I N 0.182 120.824 120.570 0.119 0.000 2.646 213 I HA 0.694 4.864 4.170 -0.000 0.000 0.299 213 I C -0.895 175.246 176.117 0.040 0.000 1.036 213 I CA -0.616 60.718 61.300 0.057 0.000 1.074 213 I CB 2.307 40.289 38.000 -0.029 0.000 1.258 213 I HN 0.401 nan 8.210 nan 0.000 0.430 214 D N 4.766 125.175 120.400 0.015 0.000 2.177 214 D HA 0.501 5.141 4.640 -0.000 0.000 0.247 214 D C -0.913 175.387 176.300 -0.001 0.000 1.063 214 D CA -0.159 53.855 54.000 0.023 0.000 0.867 214 D CB 3.085 43.891 40.800 0.010 0.000 1.168 214 D HN 0.398 nan 8.370 nan 0.000 0.445 215 V N 1.606 121.529 119.914 0.015 0.000 2.851 215 V HA 0.318 4.438 4.120 -0.000 0.000 0.307 215 V C -1.037 175.000 176.094 -0.096 0.000 1.129 215 V CA -0.290 61.975 62.300 -0.059 0.000 0.932 215 V CB 2.380 34.149 31.823 -0.090 0.000 1.024 215 V HN 0.551 nan 8.190 nan 0.000 0.426 216 T N 7.111 121.594 114.554 -0.120 0.000 2.794 216 T HA 0.579 4.929 4.350 -0.000 0.000 0.280 216 T C -0.537 174.064 174.700 -0.164 0.000 0.987 216 T CA 0.025 62.076 62.100 -0.081 0.000 0.993 216 T CB 0.784 69.638 68.868 -0.022 0.000 0.939 216 T HN 0.423 nan 8.240 nan 0.000 0.449 217 F N 4.113 123.967 119.950 -0.160 0.000 2.484 217 F HA 0.289 4.816 4.527 0.000 0.000 0.360 217 F C -1.685 174.027 175.800 -0.147 0.000 1.101 217 F CA -1.879 55.949 58.000 -0.287 0.000 1.251 217 F CB 0.196 38.846 39.000 -0.583 0.000 1.132 217 F HN 0.346 nan 8.300 nan 0.000 0.570 218 P HA 0.005 nan 4.420 nan 0.000 0.269 218 P C 0.355 177.744 177.300 0.149 0.000 1.215 218 P CA -0.037 63.133 63.100 0.116 0.000 0.780 218 P CB 0.669 32.455 31.700 0.143 0.000 0.898 219 E N 1.474 121.734 120.200 0.099 0.000 2.051 219 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 219 E C 1.608 178.269 176.600 0.101 0.000 0.991 219 E CA 2.019 58.470 56.400 0.084 0.000 0.799 219 E CB -1.344 28.388 29.700 0.053 0.000 0.748 219 E HN 0.687 nan 8.360 nan 0.000 0.449 220 D N 0.422 120.883 120.400 0.102 0.000 2.379 220 D HA -0.111 4.529 4.640 -0.000 0.000 0.243 220 D C 0.399 176.766 176.300 0.113 0.000 1.088 220 D CA 0.015 54.069 54.000 0.089 0.000 0.925 220 D CB -0.990 39.854 40.800 0.074 0.000 0.888 220 D HN 0.070 nan 8.370 nan 0.000 0.529 221 Y N 1.383 121.691 120.300 0.013 0.000 2.511 221 Y HA 0.147 4.697 4.550 -0.000 0.000 0.332 221 Y C 2.203 178.050 175.900 -0.087 0.000 1.177 221 Y CA -0.063 58.012 58.100 -0.042 0.000 1.422 221 Y CB 0.685 39.103 38.460 -0.071 0.000 1.271 221 Y HN 0.381 nan 8.280 nan 0.000 0.550 222 H N 3.518 122.211 119.070 -0.629 0.000 2.299 222 H HA 0.017 4.573 4.556 -0.000 0.000 0.302 222 H C 0.666 175.831 175.328 -0.273 0.000 1.078 222 H CA 0.714 56.521 56.048 -0.402 0.000 1.323 222 H CB -0.931 28.591 29.762 -0.400 0.000 1.381 222 H HN 0.596 nan 8.280 nan 0.000 0.498 223 A N 1.656 124.102 122.820 -0.622 0.000 2.546 223 A HA -0.025 4.295 4.320 -0.000 0.000 0.243 223 A C 1.433 178.976 177.584 -0.069 0.000 1.063 223 A CA 0.447 52.398 52.037 -0.143 0.000 0.757 223 A CB 0.160 19.122 19.000 -0.063 0.000 0.991 223 A HN 0.610 nan 8.150 nan 0.000 0.503 224 E N 2.363 122.533 120.200 -0.049 0.000 2.047 224 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 224 E C 1.479 178.031 176.600 -0.079 0.000 0.987 224 E CA 2.075 58.448 56.400 -0.046 0.000 0.799 224 E CB -0.276 29.407 29.700 -0.028 0.000 0.752 224 E HN 0.929 nan 8.360 nan 0.000 0.449 225 N N -0.497 118.140 118.700 -0.105 0.000 2.501 225 N HA -0.024 4.716 4.740 -0.000 0.000 0.195 225 N C 0.891 176.240 175.510 -0.268 0.000 1.213 225 N CA 0.249 53.214 53.050 -0.142 0.000 0.864 225 N CB 0.180 38.602 38.487 -0.108 0.000 0.999 225 N HN 0.216 nan 8.380 nan 0.000 0.454 226 L N -1.177 119.836 121.223 -0.349 0.000 3.227 226 L HA 0.213 4.553 4.340 -0.000 0.000 0.287 226 L C 1.614 178.207 176.870 -0.460 0.000 1.161 226 L CA -0.342 54.107 54.840 -0.653 0.000 1.048 226 L CB 0.071 41.319 42.059 -1.353 0.000 1.541 226 L HN -0.111 nan 8.230 nan 0.000 0.590 227 K N 1.223 121.508 120.400 -0.191 0.000 2.097 227 K HA -0.314 4.006 4.320 -0.000 0.000 0.217 227 K C 1.409 178.008 176.600 -0.002 0.000 0.806 227 K CA 2.344 58.616 56.287 -0.026 0.000 1.017 227 K CB -0.716 31.779 32.500 -0.009 0.000 0.803 227 K HN 0.448 nan 8.250 nan 0.000 0.628 228 G N 0.389 109.184 108.800 -0.009 0.000 3.519 228 G HA2 0.058 4.018 3.960 -0.000 0.000 0.269 228 G HA3 0.058 4.018 3.960 -0.000 0.000 0.269 228 G C -0.409 174.507 174.900 0.028 0.000 1.028 228 G CA -0.367 44.749 45.100 0.027 0.000 0.809 228 G HN 0.034 nan 8.290 nan 0.000 0.521 229 K N 1.129 121.527 120.400 -0.003 0.000 2.469 229 K HA 0.334 4.654 4.320 -0.000 0.000 0.274 229 K C 0.322 176.976 176.600 0.090 0.000 0.983 229 K CA 0.038 56.330 56.287 0.008 0.000 0.974 229 K CB 1.164 33.619 32.500 -0.074 0.000 0.913 229 K HN 0.142 nan 8.250 nan 0.000 0.493 230 A N 1.304 124.160 122.820 0.061 0.000 2.331 230 A HA 0.612 4.932 4.320 -0.000 0.000 0.283 230 A C -0.303 177.339 177.584 0.097 0.000 1.142 230 A CA -0.212 51.865 52.037 0.066 0.000 0.812 230 A CB 0.690 19.712 19.000 0.037 0.000 1.074 230 A HN 0.751 nan 8.150 nan 0.000 0.497 231 A N 2.231 125.121 122.820 0.117 0.000 2.569 231 A HA 0.823 5.143 4.320 -0.000 0.000 0.290 231 A C -0.638 177.016 177.584 0.116 0.000 1.136 231 A CA -0.738 51.394 52.037 0.158 0.000 0.710 231 A CB 1.320 20.508 19.000 0.313 0.000 1.303 231 A HN 0.722 nan 8.150 nan 0.000 0.413 232 K N -0.037 120.402 120.400 0.065 0.000 2.378 232 K HA 0.627 4.947 4.320 -0.000 0.000 0.252 232 K C -2.064 174.480 176.600 -0.093 0.000 0.931 232 K CA -0.133 56.173 56.287 0.033 0.000 0.794 232 K CB 1.842 34.346 32.500 0.006 0.000 1.181 232 K HN 0.488 nan 8.250 nan 0.000 0.425 233 F N 1.329 121.264 119.950 -0.025 0.000 2.460 233 F HA 0.369 4.896 4.527 -0.000 0.000 0.341 233 F C 0.048 175.797 175.800 -0.085 0.000 1.130 233 F CA -0.682 57.289 58.000 -0.048 0.000 0.962 233 F CB 1.872 40.772 39.000 -0.167 0.000 1.171 233 F HN 0.502 nan 8.300 nan 0.000 0.436 234 A N 6.042 128.895 122.820 0.054 0.000 2.310 234 A HA 0.626 4.946 4.320 -0.000 0.000 0.300 234 A C -0.348 177.217 177.584 -0.032 0.000 1.269 234 A CA -0.371 51.654 52.037 -0.021 0.000 0.909 234 A CB -0.335 18.643 19.000 -0.037 0.000 1.144 234 A HN 0.543 nan 8.150 nan 0.000 0.540 235 I N 1.542 121.960 120.570 -0.254 0.000 2.577 235 I HA 0.514 4.684 4.170 -0.000 0.000 0.305 235 I C 0.250 176.079 176.117 -0.480 0.000 0.986 235 I CA -0.532 60.544 61.300 -0.373 0.000 1.189 235 I CB 1.644 39.202 38.000 -0.737 0.000 1.355 235 I HN 0.737 nan 8.210 nan 0.000 0.476 236 K N 4.079 124.328 120.400 -0.251 0.000 2.578 236 K HA 0.482 4.802 4.320 -0.000 0.000 0.250 236 K C -1.791 174.767 176.600 -0.070 0.000 0.955 236 K CA -0.468 55.716 56.287 -0.172 0.000 0.825 236 K CB 1.924 34.375 32.500 -0.081 0.000 1.151 236 K HN 0.370 nan 8.250 nan 0.000 0.432 237 V N 5.478 125.376 119.914 -0.027 0.000 2.372 237 V HA 0.047 4.167 4.120 -0.000 0.000 0.261 237 V C 0.766 176.887 176.094 0.045 0.000 1.055 237 V CA -0.507 61.828 62.300 0.057 0.000 0.930 237 V CB 0.682 32.586 31.823 0.135 0.000 1.031 237 V HN 0.807 nan 8.190 nan 0.000 0.479 238 N N 4.235 122.958 118.700 0.038 0.000 2.216 238 N HA -0.028 4.712 4.740 -0.000 0.000 0.183 238 N C 0.545 176.068 175.510 0.023 0.000 1.017 238 N CA 0.809 53.873 53.050 0.024 0.000 0.861 238 N CB 0.183 38.679 38.487 0.015 0.000 0.986 238 N HN 0.859 nan 8.380 nan 0.000 0.428 239 K N -2.012 118.403 120.400 0.025 0.000 2.772 239 K HA 0.342 4.662 4.320 -0.000 0.000 0.292 239 K C -1.969 174.640 176.600 0.015 0.000 1.049 239 K CA -0.746 55.553 56.287 0.021 0.000 0.846 239 K CB 1.117 33.623 32.500 0.010 0.000 1.514 239 K HN -0.269 nan 8.250 nan 0.000 0.373 240 V N 1.406 121.334 119.914 0.022 0.000 2.483 240 V HA 0.372 4.492 4.120 -0.000 0.000 0.297 240 V C -0.950 175.169 176.094 0.042 0.000 1.027 240 V CA -0.572 61.742 62.300 0.023 0.000 0.855 240 V CB 1.527 33.376 31.823 0.044 0.000 0.995 240 V HN 0.760 nan 8.190 nan 0.000 0.424 241 E N 2.518 122.738 120.200 0.033 0.000 2.235 241 E HA 0.851 5.201 4.350 -0.000 0.000 0.265 241 E C -0.478 176.332 176.600 0.350 0.000 0.940 241 E CA -0.719 55.773 56.400 0.154 0.000 0.819 241 E CB 2.439 32.207 29.700 0.114 0.000 1.206 241 E HN 0.802 nan 8.360 nan 0.000 0.409 242 A N 1.882 124.949 122.820 0.411 0.000 2.374 242 A HA 0.596 4.916 4.320 -0.000 0.000 0.317 242 A C -0.805 176.899 177.584 0.200 0.000 1.094 242 A CA -0.663 51.588 52.037 0.356 0.000 0.765 242 A CB 1.293 20.385 19.000 0.153 0.000 1.268 242 A HN 0.567 nan 8.150 nan 0.000 0.438 243 R N 1.423 121.783 120.500 -0.233 0.000 2.215 243 R HA 0.306 4.646 4.340 -0.000 0.000 0.336 243 R C -0.610 175.493 176.300 -0.327 0.000 0.996 243 R CA -0.162 55.538 56.100 -0.666 0.000 0.847 243 R CB 0.541 30.047 30.300 -1.323 0.000 1.127 243 R HN 0.841 nan 8.270 nan 0.000 0.465 244 E N 5.127 125.191 120.200 -0.227 0.000 2.081 244 E HA 0.164 4.514 4.350 -0.000 0.000 0.281 244 E C -0.870 175.628 176.600 -0.169 0.000 0.986 244 E CA -0.771 55.538 56.400 -0.150 0.000 0.796 244 E CB 0.962 30.608 29.700 -0.091 0.000 1.085 244 E HN 0.227 nan 8.360 nan 0.000 0.398 245 L N 5.358 126.482 121.223 -0.164 0.000 2.319 245 L HA 0.261 4.601 4.340 -0.000 0.000 0.280 245 L C -1.611 175.158 176.870 -0.169 0.000 1.099 245 L CA -1.623 53.120 54.840 -0.163 0.000 0.828 245 L CB -0.248 41.723 42.059 -0.145 0.000 1.150 245 L HN 0.557 nan 8.230 nan 0.000 0.442 246 P HA 0.056 nan 4.420 nan 0.000 0.271 246 P C -0.453 176.641 177.300 -0.342 0.000 1.244 246 P CA -0.463 62.476 63.100 -0.269 0.000 0.793 246 P CB 0.680 32.185 31.700 -0.325 0.000 0.984 247 E N 0.077 120.069 120.200 -0.347 0.000 2.373 247 E HA 0.161 4.511 4.350 -0.000 0.000 0.263 247 E C -0.291 176.053 176.600 -0.426 0.000 1.073 247 E CA -0.554 55.671 56.400 -0.293 0.000 0.894 247 E CB 0.490 30.085 29.700 -0.175 0.000 1.008 247 E HN 0.275 nan 8.360 nan 0.000 0.420 248 L N 4.239 125.339 121.223 -0.204 0.000 2.657 248 L HA 0.139 4.479 4.340 -0.000 0.000 0.239 248 L C -0.639 176.265 176.870 0.057 0.000 1.215 248 L CA -0.233 54.583 54.840 -0.041 0.000 1.161 248 L CB -0.865 41.210 42.059 0.027 0.000 1.436 248 L HN 0.354 nan 8.230 nan 0.000 0.414 249 N N -1.985 116.757 118.700 0.070 0.000 2.502 249 N HA 0.286 5.026 4.740 -0.000 0.000 0.280 249 N C 0.494 176.095 175.510 0.153 0.000 1.223 249 N CA -0.760 52.342 53.050 0.086 0.000 0.966 249 N CB 0.463 38.973 38.487 0.038 0.000 1.203 249 N HN -0.008 nan 8.380 nan 0.000 0.565 250 D N -0.608 119.853 120.400 0.100 0.000 2.149 250 D HA -0.202 4.438 4.640 -0.000 0.000 0.198 250 D C 1.117 177.479 176.300 0.103 0.000 0.990 250 D CA 1.281 55.336 54.000 0.092 0.000 0.839 250 D CB -0.035 40.798 40.800 0.056 0.000 0.948 250 D HN 0.824 nan 8.370 nan 0.000 0.460 251 E N -1.111 119.151 120.200 0.104 0.000 2.418 251 E HA -0.130 4.220 4.350 -0.000 0.000 0.197 251 E C 1.213 177.904 176.600 0.151 0.000 1.026 251 E CA 0.161 56.615 56.400 0.090 0.000 0.862 251 E CB -0.078 29.662 29.700 0.066 0.000 0.799 251 E HN 0.230 nan 8.360 nan 0.000 0.518 252 F N 0.241 120.208 119.950 0.028 0.000 2.780 252 F HA 0.033 4.560 4.527 -0.000 0.000 0.299 252 F C 1.396 177.284 175.800 0.147 0.000 1.146 252 F CA 0.615 58.651 58.000 0.060 0.000 1.428 252 F CB 0.627 39.660 39.000 0.055 0.000 1.115 252 F HN 0.036 nan 8.300 nan 0.000 0.583 253 V N -3.265 116.719 119.914 0.117 0.000 3.398 253 V HA 0.554 4.674 4.120 -0.000 0.000 0.298 253 V C 1.430 177.607 176.094 0.137 0.000 1.496 253 V CA 0.621 63.012 62.300 0.153 0.000 1.044 253 V CB -0.501 31.392 31.823 0.117 0.000 0.880 253 V HN 0.053 nan 8.190 nan 0.000 0.443 254 A N 0.748 123.589 122.820 0.035 0.000 2.178 254 A HA 0.181 4.501 4.320 -0.000 0.000 0.211 254 A C 2.208 179.730 177.584 -0.105 0.000 1.157 254 A CA 0.932 52.966 52.037 -0.005 0.000 0.780 254 A CB -0.442 18.556 19.000 -0.004 0.000 0.828 254 A HN 0.474 nan 8.150 nan 0.000 0.476 255 R N -0.879 119.460 120.500 -0.269 0.000 2.120 255 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 255 R C -0.528 175.396 176.300 -0.626 0.000 1.123 255 R CA 0.762 56.543 56.100 -0.531 0.000 0.975 255 R CB -0.152 29.628 30.300 -0.867 0.000 0.866 255 R HN 0.422 nan 8.270 nan 0.000 0.446 256 F N -0.296 119.607 119.950 -0.078 0.000 2.377 256 F HA 0.401 4.928 4.527 -0.000 0.000 0.328 256 F C 1.495 177.266 175.800 -0.049 0.000 1.094 256 F CA -0.558 57.401 58.000 -0.068 0.000 1.093 256 F CB 0.646 39.594 39.000 -0.087 0.000 1.214 256 F HN -0.034 nan 8.300 nan 0.000 0.518 257 G N 0.458 109.331 108.800 0.120 0.000 2.418 257 G HA2 0.354 4.314 3.960 -0.000 0.000 0.276 257 G HA3 0.354 4.314 3.960 -0.000 0.000 0.276 257 G C -0.484 174.450 174.900 0.057 0.000 1.442 257 G CA -0.042 45.094 45.100 0.059 0.000 1.066 257 G HN 0.769 nan 8.290 nan 0.000 0.553 258 V N -3.428 116.505 119.914 0.032 0.000 2.630 258 V HA 0.771 4.891 4.120 -0.000 0.000 0.305 258 V C 0.854 176.955 176.094 0.013 0.000 1.046 258 V CA 0.359 62.672 62.300 0.021 0.000 0.934 258 V CB 0.350 32.180 31.823 0.013 0.000 1.003 258 V HN 2.660 nan 8.190 nan 0.000 0.451 259 A N 2.693 125.517 122.820 0.006 0.000 5.699 259 A HA -0.204 4.116 4.320 -0.000 0.000 0.280 259 A C 1.450 179.029 177.584 -0.009 0.000 2.071 259 A CA 1.197 53.233 52.037 -0.003 0.000 0.714 259 A CB -1.994 17.004 19.000 -0.003 0.000 1.162 259 A HN 1.067 nan 8.150 nan 0.000 0.363 260 E N -0.229 119.964 120.200 -0.012 0.000 2.110 260 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 260 E C 2.229 178.821 176.600 -0.013 0.000 0.988 260 E CA 1.643 58.031 56.400 -0.019 0.000 0.804 260 E CB -0.863 28.825 29.700 -0.019 0.000 0.745 260 E HN 0.987 nan 8.360 nan 0.000 0.458 261 G N 0.988 109.788 108.800 -0.001 0.000 2.469 261 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 261 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 261 G C 1.645 176.561 174.900 0.027 0.000 1.136 261 G CA 1.180 46.286 45.100 0.010 0.000 0.759 261 G HN 0.417 nan 8.290 nan 0.000 0.562 262 G N 0.211 109.029 108.800 0.030 0.000 2.395 262 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.214 262 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.214 262 G C 1.598 176.484 174.900 -0.024 0.000 1.177 262 G CA 0.954 46.093 45.100 0.065 0.000 0.794 262 G HN 0.310 nan 8.290 nan 0.000 0.532 263 V N 1.380 121.260 119.914 -0.057 0.000 3.330 263 V HA -0.062 4.058 4.120 -0.000 0.000 0.273 263 V C 1.719 177.750 176.094 -0.105 0.000 1.179 263 V CA 1.743 63.979 62.300 -0.107 0.000 1.174 263 V CB -0.303 31.475 31.823 -0.075 0.000 0.794 263 V HN 0.262 nan 8.190 nan 0.000 0.527 264 D N -0.061 120.301 120.400 -0.064 0.000 2.514 264 D HA 0.192 4.832 4.640 -0.000 0.000 0.249 264 D C 2.239 178.521 176.300 -0.029 0.000 1.036 264 D CA 1.095 55.066 54.000 -0.048 0.000 0.911 264 D CB 0.079 40.866 40.800 -0.023 0.000 1.145 264 D HN 0.351 nan 8.370 nan 0.000 0.495 265 A N 1.227 124.065 122.820 0.029 0.000 1.940 265 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 265 A C 2.129 179.786 177.584 0.121 0.000 1.176 265 A CA 1.145 53.274 52.037 0.153 0.000 0.631 265 A CB -0.585 18.602 19.000 0.312 0.000 0.814 265 A HN 0.238 nan 8.150 nan 0.000 0.446 266 L N -0.620 120.436 121.223 -0.278 0.000 2.109 266 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 266 L C 2.117 178.796 176.870 -0.317 0.000 1.086 266 L CA 2.003 56.382 54.840 -0.768 0.000 0.760 266 L CB -0.362 41.049 42.059 -1.079 0.000 0.910 266 L HN 0.272 nan 8.230 nan 0.000 0.437 267 K N -0.569 119.714 120.400 -0.194 0.000 2.155 267 K HA -0.001 4.319 4.320 -0.000 0.000 0.203 267 K C 2.039 178.601 176.600 -0.063 0.000 1.052 267 K CA 0.948 57.165 56.287 -0.116 0.000 0.948 267 K CB -0.181 32.265 32.500 -0.089 0.000 0.728 267 K HN 0.468 nan 8.250 nan 0.000 0.448 268 A N 1.388 124.187 122.820 -0.035 0.000 1.902 268 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 268 A C 2.036 179.627 177.584 0.011 0.000 1.181 268 A CA 1.700 53.737 52.037 -0.001 0.000 0.623 268 A CB -0.317 18.697 19.000 0.024 0.000 0.818 268 A HN 0.243 nan 8.150 nan 0.000 0.443 269 E N -0.168 120.050 120.200 0.031 0.000 2.047 269 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 269 E C 1.834 178.442 176.600 0.013 0.000 0.987 269 E CA 1.466 57.899 56.400 0.056 0.000 0.799 269 E CB -0.346 29.447 29.700 0.154 0.000 0.752 269 E HN 0.221 nan 8.360 nan 0.000 0.449 270 V N 0.855 120.751 119.914 -0.031 0.000 2.343 270 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 270 V C 2.516 178.600 176.094 -0.016 0.000 1.051 270 V CA 2.063 64.345 62.300 -0.030 0.000 1.036 270 V CB -0.482 31.305 31.823 -0.060 0.000 0.654 270 V HN 0.248 nan 8.190 nan 0.000 0.451 271 R N -0.068 120.421 120.500 -0.019 0.000 2.073 271 R HA -0.206 4.134 4.340 -0.000 0.000 0.234 271 R C 2.490 178.788 176.300 -0.004 0.000 1.134 271 R CA 1.874 57.966 56.100 -0.013 0.000 0.952 271 R CB -0.347 29.944 30.300 -0.016 0.000 0.850 271 R HN 0.461 nan 8.270 nan 0.000 0.433 272 K N 0.441 120.842 120.400 0.001 0.000 2.074 272 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 272 K C 1.605 178.210 176.600 0.007 0.000 1.048 272 K CA 1.773 58.063 56.287 0.005 0.000 0.926 272 K CB -0.013 32.495 32.500 0.012 0.000 0.713 272 K HN 0.127 nan 8.250 nan 0.000 0.444 273 N N 0.491 119.198 118.700 0.012 0.000 2.216 273 N HA -0.095 4.645 4.740 -0.000 0.000 0.183 273 N C 1.704 177.221 175.510 0.013 0.000 1.017 273 N CA 1.283 54.343 53.050 0.017 0.000 0.861 273 N CB -0.126 38.376 38.487 0.024 0.000 0.986 273 N HN 0.310 nan 8.380 nan 0.000 0.428 274 M N 0.590 120.194 119.600 0.008 0.000 2.446 274 M HA -0.069 4.411 4.480 -0.000 0.000 0.263 274 M C 1.535 177.838 176.300 0.005 0.000 1.066 274 M CA 1.026 56.330 55.300 0.007 0.000 1.087 274 M CB -0.287 32.314 32.600 0.001 0.000 1.406 274 M HN 0.169 nan 8.290 nan 0.000 0.459 275 E N 0.293 120.495 120.200 0.003 0.000 2.072 275 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 275 E C 2.206 178.807 176.600 0.002 0.000 0.982 275 E CA 0.761 57.161 56.400 -0.000 0.000 0.803 275 E CB 0.064 29.762 29.700 -0.005 0.000 0.755 275 E HN 0.357 nan 8.360 nan 0.000 0.453 276 R N 0.886 121.389 120.500 0.005 0.000 2.090 276 R HA -0.119 4.221 4.340 -0.000 0.000 0.228 276 R C 1.847 178.155 176.300 0.014 0.000 1.110 276 R CA 1.180 57.285 56.100 0.008 0.000 0.973 276 R CB 0.084 30.391 30.300 0.012 0.000 0.869 276 R HN 0.187 nan 8.270 nan 0.000 0.440 277 E N 0.353 120.564 120.200 0.018 0.000 2.106 277 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 277 E C 1.918 178.529 176.600 0.018 0.000 0.984 277 E CA 0.948 57.362 56.400 0.023 0.000 0.806 277 E CB -0.043 29.673 29.700 0.027 0.000 0.750 277 E HN 0.167 nan 8.360 nan 0.000 0.458 278 L N 1.610 122.840 121.223 0.012 0.000 2.072 278 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 278 L C 2.240 179.116 176.870 0.009 0.000 1.079 278 L CA 1.723 56.569 54.840 0.010 0.000 0.752 278 L CB -0.261 41.802 42.059 0.007 0.000 0.906 278 L HN -0.117 nan 8.230 nan 0.000 0.436 279 K N -0.787 119.617 120.400 0.008 0.000 2.020 279 K HA -0.262 4.058 4.320 -0.000 0.000 0.212 279 K C 2.091 178.696 176.600 0.008 0.000 1.050 279 K CA 2.169 58.461 56.287 0.008 0.000 0.929 279 K CB -0.175 32.328 32.500 0.005 0.000 0.714 279 K HN 0.488 nan 8.250 nan 0.000 0.443 280 Q N -0.238 119.568 119.800 0.010 0.000 2.030 280 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 280 Q C 2.193 178.196 176.000 0.005 0.000 0.986 280 Q CA 1.729 57.537 55.803 0.008 0.000 0.843 280 Q CB -0.271 28.476 28.738 0.014 0.000 0.904 280 Q HN 0.467 nan 8.270 nan 0.000 0.420 281 A N 0.833 123.658 122.820 0.008 0.000 1.948 281 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 281 A C 2.037 179.625 177.584 0.006 0.000 1.177 281 A CA 1.453 53.494 52.037 0.006 0.000 0.636 281 A CB -0.743 18.264 19.000 0.011 0.000 0.815 281 A HN 0.352 nan 8.150 nan 0.000 0.449 282 I N -1.071 119.504 120.570 0.008 0.000 2.252 282 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 282 I C 2.544 178.666 176.117 0.010 0.000 1.102 282 I CA 1.610 62.916 61.300 0.009 0.000 1.385 282 I CB -0.267 37.739 38.000 0.009 0.000 1.064 282 I HN 0.345 nan 8.210 nan 0.000 0.414 283 K N 1.255 121.660 120.400 0.008 0.000 2.009 283 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 283 K C 2.249 178.853 176.600 0.007 0.000 1.049 283 K CA 1.668 57.960 56.287 0.008 0.000 0.929 283 K CB -0.161 32.342 32.500 0.005 0.000 0.714 283 K HN 0.289 nan 8.250 nan 0.000 0.440 284 A N 1.617 124.437 122.820 0.001 0.000 1.908 284 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 284 A C 2.054 179.649 177.584 0.018 0.000 1.181 284 A CA 1.536 53.572 52.037 -0.003 0.000 0.627 284 A CB -0.548 18.436 19.000 -0.026 0.000 0.818 284 A HN 0.328 nan 8.150 nan 0.000 0.445 285 R N -0.662 119.849 120.500 0.019 0.000 2.117 285 R HA -0.148 4.192 4.340 -0.000 0.000 0.243 285 R C 2.017 178.337 176.300 0.034 0.000 1.143 285 R CA 1.660 57.777 56.100 0.029 0.000 0.968 285 R CB -0.613 29.699 30.300 0.019 0.000 0.863 285 R HN 0.623 nan 8.270 nan 0.000 0.444 286 I N 0.785 121.371 120.570 0.027 0.000 2.090 286 I HA -0.306 3.864 4.170 -0.000 0.000 0.236 286 I C 2.593 178.732 176.117 0.037 0.000 1.064 286 I CA 1.348 62.664 61.300 0.027 0.000 1.324 286 I CB -0.346 37.666 38.000 0.020 0.000 1.044 286 I HN 0.112 nan 8.210 nan 0.000 0.399 287 K N 0.948 121.370 120.400 0.037 0.000 2.286 287 K HA -0.191 4.129 4.320 -0.000 0.000 0.203 287 K C 1.148 177.797 176.600 0.082 0.000 1.045 287 K CA 1.424 57.739 56.287 0.046 0.000 0.935 287 K CB 0.028 32.548 32.500 0.034 0.000 0.737 287 K HN 0.372 nan 8.250 nan 0.000 0.460 288 E N 0.252 120.510 120.200 0.097 0.000 2.437 288 E HA 0.043 4.393 4.350 -0.000 0.000 0.195 288 E C -0.496 176.177 176.600 0.122 0.000 1.029 288 E CA -0.208 56.285 56.400 0.155 0.000 0.948 288 E CB 0.641 30.454 29.700 0.188 0.000 1.082 288 E HN 0.273 nan 8.360 nan 0.000 0.456 289 Q N -0.509 119.343 119.800 0.086 0.000 2.222 289 Q HA 0.400 4.740 4.340 -0.000 0.000 0.252 289 Q C 0.459 176.509 176.000 0.084 0.000 0.926 289 Q CA 0.337 56.181 55.803 0.068 0.000 0.899 289 Q CB 1.493 30.256 28.738 0.043 0.000 1.250 289 Q HN 0.241 nan 8.270 nan 0.000 0.441 290 A N 2.240 125.114 122.820 0.089 0.000 3.930 290 A HA -0.216 4.104 4.320 -0.000 0.000 0.267 290 A C 0.243 177.934 177.584 0.177 0.000 0.971 290 A CA 0.946 53.054 52.037 0.118 0.000 1.197 290 A CB -2.118 16.937 19.000 0.092 0.000 1.073 290 A HN 0.707 nan 8.150 nan 0.000 0.871 291 I N 2.520 123.198 120.570 0.179 0.000 2.453 291 I HA 0.082 4.252 4.170 -0.000 0.000 0.300 291 I C 0.511 176.813 176.117 0.309 0.000 1.159 291 I CA -0.187 61.254 61.300 0.234 0.000 1.379 291 I CB 0.096 38.210 38.000 0.191 0.000 1.460 291 I HN 0.265 nan 8.210 nan 0.000 0.601 292 E N 4.478 124.933 120.200 0.424 0.000 2.418 292 E HA 0.117 4.467 4.350 -0.000 0.000 0.261 292 E C 1.192 178.101 176.600 0.514 0.000 1.070 292 E CA 0.789 57.515 56.400 0.544 0.000 0.931 292 E CB 0.870 30.925 29.700 0.592 0.000 0.954 292 E HN 0.864 nan 8.360 nan 0.000 0.439 293 G N 1.368 110.494 108.800 0.544 0.000 2.254 293 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.225 293 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.225 293 G C 0.231 175.081 174.900 -0.083 0.000 1.003 293 G CA -0.095 45.055 45.100 0.084 0.000 0.622 293 G HN 0.398 nan 8.290 nan 0.000 0.507 294 L N 0.994 122.258 121.223 0.069 0.000 2.380 294 L HA 0.611 4.951 4.340 -0.000 0.000 0.273 294 L C 1.052 178.030 176.870 0.181 0.000 1.138 294 L CA -0.028 54.841 54.840 0.047 0.000 0.832 294 L CB 1.684 43.804 42.059 0.101 0.000 1.124 294 L HN 0.080 nan 8.230 nan 0.000 0.454 295 V N 4.525 124.508 119.914 0.115 0.000 3.172 295 V HA 0.285 4.405 4.120 -0.000 0.000 0.343 295 V C -0.439 175.701 176.094 0.076 0.000 1.429 295 V CA -0.065 62.319 62.300 0.140 0.000 1.149 295 V CB 0.202 32.117 31.823 0.154 0.000 1.106 295 V HN 0.792 nan 8.190 nan 0.000 0.526 296 K N 0.878 121.315 120.400 0.061 0.000 2.584 296 K HA 0.273 4.593 4.320 -0.000 0.000 0.260 296 K C -0.889 175.741 176.600 0.051 0.000 0.949 296 K CA -0.461 55.854 56.287 0.045 0.000 0.888 296 K CB 1.561 34.088 32.500 0.044 0.000 1.330 296 K HN 0.095 nan 8.250 nan 0.000 0.432 297 E N 1.888 122.109 120.200 0.034 0.000 2.392 297 E HA 0.039 4.389 4.350 -0.000 0.000 0.259 297 E C 0.078 176.699 176.600 0.036 0.000 1.108 297 E CA -0.043 56.379 56.400 0.037 0.000 0.916 297 E CB 0.688 30.399 29.700 0.019 0.000 0.989 297 E HN 0.715 nan 8.360 nan 0.000 0.432 298 N N 0.852 119.572 118.700 0.032 0.000 2.255 298 N HA 0.014 4.754 4.740 -0.000 0.000 0.253 298 N C -0.366 175.156 175.510 0.019 0.000 1.313 298 N CA -0.004 53.059 53.050 0.021 0.000 0.912 298 N CB 0.465 38.954 38.487 0.005 0.000 1.145 298 N HN 0.524 nan 8.380 nan 0.000 0.511 299 E N -2.382 117.830 120.200 0.019 0.000 2.392 299 E HA 0.432 4.782 4.350 -0.000 0.000 0.281 299 E C -1.100 175.515 176.600 0.024 0.000 1.088 299 E CA -0.994 55.418 56.400 0.020 0.000 0.850 299 E CB 0.651 30.364 29.700 0.021 0.000 1.267 299 E HN 0.662 nan 8.360 nan 0.000 0.438 300 I N -1.536 119.047 120.570 0.021 0.000 2.648 300 I HA 0.469 4.639 4.170 -0.000 0.000 0.304 300 I C -0.599 175.530 176.117 0.020 0.000 1.009 300 I CA -1.119 60.195 61.300 0.023 0.000 1.114 300 I CB 1.748 39.759 38.000 0.018 0.000 1.293 300 I HN 0.420 nan 8.210 nan 0.000 0.449 301 Q N 3.603 123.415 119.800 0.020 0.000 2.290 301 Q HA 0.550 4.890 4.340 -0.000 0.000 0.259 301 Q C -1.145 174.860 176.000 0.008 0.000 0.941 301 Q CA -0.872 54.940 55.803 0.015 0.000 0.912 301 Q CB 2.772 31.521 28.738 0.017 0.000 1.244 301 Q HN 0.556 nan 8.270 nan 0.000 0.441 302 V N 4.566 124.483 119.914 0.005 0.000 2.394 302 V HA 0.293 4.413 4.120 -0.000 0.000 0.282 302 V C -2.168 173.923 176.094 -0.006 0.000 1.031 302 V CA -2.158 60.141 62.300 -0.002 0.000 0.881 302 V CB 1.203 33.024 31.823 -0.003 0.000 0.982 302 V HN 0.649 nan 8.190 nan 0.000 0.451 303 P HA 0.101 nan 4.420 nan 0.000 0.266 303 P C 0.862 178.151 177.300 -0.017 0.000 1.195 303 P CA 0.305 63.395 63.100 -0.017 0.000 0.768 303 P CB 0.606 32.289 31.700 -0.029 0.000 0.838 304 S N 2.533 118.225 115.700 -0.014 0.000 2.383 304 S HA -0.220 4.250 4.470 -0.000 0.000 0.229 304 S C 1.959 176.547 174.600 -0.021 0.000 1.030 304 S CA 1.605 59.798 58.200 -0.013 0.000 1.002 304 S CB -0.806 62.389 63.200 -0.009 0.000 0.829 304 S HN 0.625 nan 8.310 nan 0.000 0.467 305 A N 1.306 124.109 122.820 -0.029 0.000 1.986 305 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 305 A C 2.038 179.598 177.584 -0.040 0.000 1.171 305 A CA 1.267 53.281 52.037 -0.038 0.000 0.640 305 A CB -0.636 18.335 19.000 -0.049 0.000 0.811 305 A HN 0.500 nan 8.150 nan 0.000 0.451 306 L N -0.736 120.466 121.223 -0.036 0.000 2.270 306 L HA -0.033 4.307 4.340 -0.000 0.000 0.210 306 L C 2.123 178.975 176.870 -0.031 0.000 1.104 306 L CA 0.184 55.003 54.840 -0.035 0.000 0.804 306 L CB -0.320 41.719 42.059 -0.032 0.000 0.937 306 L HN 0.270 nan 8.230 nan 0.000 0.450 307 I N 0.039 120.595 120.570 -0.024 0.000 2.439 307 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 307 I C 2.020 178.120 176.117 -0.028 0.000 1.139 307 I CA 1.224 62.513 61.300 -0.018 0.000 1.438 307 I CB -0.904 37.094 38.000 -0.005 0.000 1.085 307 I HN 0.234 nan 8.210 nan 0.000 0.427 308 D N 0.462 120.843 120.400 -0.032 0.000 2.123 308 D HA -0.246 4.394 4.640 -0.000 0.000 0.196 308 D C 2.100 178.363 176.300 -0.062 0.000 0.992 308 D CA 1.063 55.036 54.000 -0.045 0.000 0.833 308 D CB -0.199 40.578 40.800 -0.040 0.000 0.954 308 D HN 0.411 nan 8.370 nan 0.000 0.455 309 Q N 0.201 119.968 119.800 -0.055 0.000 2.135 309 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 309 Q C 1.577 177.536 176.000 -0.069 0.000 0.981 309 Q CA 1.148 56.915 55.803 -0.060 0.000 0.856 309 Q CB 0.266 28.974 28.738 -0.050 0.000 0.902 309 Q HN 0.126 nan 8.270 nan 0.000 0.425 310 E N 0.265 120.426 120.200 -0.064 0.000 2.112 310 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 310 E C 2.014 178.552 176.600 -0.103 0.000 0.979 310 E CA 0.669 57.027 56.400 -0.069 0.000 0.814 310 E CB -0.115 29.555 29.700 -0.049 0.000 0.762 310 E HN 0.484 nan 8.360 nan 0.000 0.460 311 I N 1.857 122.360 120.570 -0.112 0.000 2.286 311 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 311 I C 1.934 177.857 176.117 -0.323 0.000 1.115 311 I CA 0.733 61.906 61.300 -0.212 0.000 1.392 311 I CB -0.248 37.664 38.000 -0.147 0.000 1.065 311 I HN 0.043 nan 8.210 nan 0.000 0.418 312 N N 0.456 119.031 118.700 -0.207 0.000 2.223 312 N HA -0.123 4.617 4.740 -0.000 0.000 0.185 312 N C 1.909 177.310 175.510 -0.183 0.000 1.016 312 N CA 1.154 54.090 53.050 -0.191 0.000 0.863 312 N CB -0.175 38.239 38.487 -0.120 0.000 0.983 312 N HN 0.195 nan 8.380 nan 0.000 0.429 313 V N 1.722 121.546 119.914 -0.150 0.000 2.379 313 V HA -0.133 3.987 4.120 -0.000 0.000 0.245 313 V C 2.427 178.442 176.094 -0.132 0.000 1.044 313 V CA 1.015 63.246 62.300 -0.115 0.000 1.036 313 V CB -0.456 31.318 31.823 -0.082 0.000 0.664 313 V HN 0.204 nan 8.190 nan 0.000 0.453 314 L N -0.641 120.477 121.223 -0.176 0.000 2.046 314 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 314 L C 2.859 179.591 176.870 -0.231 0.000 1.077 314 L CA 1.527 56.284 54.840 -0.137 0.000 0.747 314 L CB -0.661 41.355 42.059 -0.072 0.000 0.896 314 L HN 0.233 nan 8.230 nan 0.000 0.432 315 R N -0.186 120.026 120.500 -0.481 0.000 2.073 315 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 315 R C 2.321 178.518 176.300 -0.171 0.000 1.134 315 R CA 1.195 57.065 56.100 -0.384 0.000 0.952 315 R CB -0.413 29.653 30.300 -0.390 0.000 0.850 315 R HN 0.493 nan 8.270 nan 0.000 0.433 316 Q N 0.836 120.549 119.800 -0.144 0.000 2.061 316 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 316 Q C 2.107 178.062 176.000 -0.075 0.000 0.984 316 Q CA 1.620 57.369 55.803 -0.089 0.000 0.846 316 Q CB -0.260 28.434 28.738 -0.073 0.000 0.902 316 Q HN 0.516 nan 8.270 nan 0.000 0.421 317 Q N -0.018 119.743 119.800 -0.065 0.000 2.124 317 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 317 Q C 2.066 178.012 176.000 -0.091 0.000 0.977 317 Q CA 1.330 57.110 55.803 -0.039 0.000 0.850 317 Q CB -0.189 28.558 28.738 0.015 0.000 0.901 317 Q HN 0.399 nan 8.270 nan 0.000 0.429 318 A N 0.938 123.684 122.820 -0.122 0.000 1.933 318 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 318 A C 2.258 179.527 177.584 -0.524 0.000 1.175 318 A CA 1.486 53.312 52.037 -0.353 0.000 0.628 318 A CB -0.651 18.241 19.000 -0.182 0.000 0.814 318 A HN 0.398 nan 8.150 nan 0.000 0.444 319 A N -0.560 122.126 122.820 -0.224 0.000 1.930 319 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 319 A C 2.105 179.663 177.584 -0.043 0.000 1.175 319 A CA 1.555 53.536 52.037 -0.093 0.000 0.627 319 A CB -0.516 18.468 19.000 -0.026 0.000 0.815 319 A HN 0.658 nan 8.150 nan 0.000 0.443 320 Q N -0.511 119.253 119.800 -0.061 0.000 2.084 320 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 320 Q C 1.894 177.899 176.000 0.008 0.000 0.978 320 Q CA 1.401 57.195 55.803 -0.014 0.000 0.844 320 Q CB -0.188 28.540 28.738 -0.017 0.000 0.898 320 Q HN 0.603 nan 8.270 nan 0.000 0.426 321 R N -0.400 120.068 120.500 -0.052 0.000 2.339 321 R HA 0.037 4.377 4.340 -0.000 0.000 0.199 321 R C 0.623 177.119 176.300 0.326 0.000 1.018 321 R CA 0.465 56.584 56.100 0.032 0.000 1.036 321 R CB 0.208 30.474 30.300 -0.057 0.000 0.899 321 R HN 0.267 nan 8.270 nan 0.000 0.473 322 F N -0.328 119.633 119.950 0.020 0.000 2.735 322 F HA 0.243 4.770 4.527 -0.000 0.000 0.308 322 F C 0.872 176.678 175.800 0.009 0.000 1.112 322 F CA -0.531 57.480 58.000 0.018 0.000 1.235 322 F CB 1.442 40.472 39.000 0.050 0.000 1.027 322 F HN 0.134 nan 8.300 nan 0.000 0.528 323 G N 0.998 109.903 108.800 0.176 0.000 2.324 323 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.292 323 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.292 323 G C 0.942 175.894 174.900 0.086 0.000 1.079 323 G CA 0.197 45.355 45.100 0.097 0.000 1.026 323 G HN 0.960 nan 8.290 nan 0.000 0.506 324 G N -0.490 108.356 108.800 0.076 0.000 2.212 324 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.267 324 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.267 324 G C 0.528 175.471 174.900 0.072 0.000 1.002 324 G CA 0.928 46.061 45.100 0.055 0.000 0.729 324 G HN 1.836 nan 8.290 nan 0.000 0.517 325 N N 0.573 119.346 118.700 0.122 0.000 2.819 325 N HA 0.284 5.024 4.740 -0.000 0.000 0.284 325 N C 1.895 177.481 175.510 0.127 0.000 1.196 325 N CA 0.528 53.657 53.050 0.131 0.000 1.114 325 N CB 0.261 38.856 38.487 0.180 0.000 1.437 325 N HN 0.646 nan 8.380 nan 0.000 0.518 326 V N 0.805 120.764 119.914 0.075 0.000 2.332 326 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 326 V C 2.016 178.148 176.094 0.063 0.000 1.055 326 V CA 1.824 64.157 62.300 0.054 0.000 1.038 326 V CB -0.634 31.206 31.823 0.028 0.000 0.651 326 V HN 0.567 nan 8.190 nan 0.000 0.450 327 E N 2.490 122.728 120.200 0.063 0.000 2.110 327 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 327 E C 2.307 178.958 176.600 0.085 0.000 0.988 327 E CA 1.733 58.168 56.400 0.059 0.000 0.804 327 E CB -0.848 28.880 29.700 0.047 0.000 0.745 327 E HN 0.675 nan 8.360 nan 0.000 0.458 328 A N 2.178 125.072 122.820 0.123 0.000 1.908 328 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 328 A C 2.553 180.262 177.584 0.207 0.000 1.181 328 A CA 2.322 54.463 52.037 0.173 0.000 0.627 328 A CB -0.749 18.405 19.000 0.256 0.000 0.818 328 A HN 0.376 nan 8.150 nan 0.000 0.445 329 A N -0.357 122.578 122.820 0.192 0.000 1.969 329 A HA 0.204 4.524 4.320 -0.000 0.000 0.218 329 A C 2.446 180.108 177.584 0.131 0.000 1.169 329 A CA 1.914 54.043 52.037 0.154 0.000 0.635 329 A CB -0.844 18.188 19.000 0.054 0.000 0.810 329 A HN 1.019 nan 8.150 nan 0.000 0.445 330 A N -0.585 122.286 122.820 0.086 0.000 1.930 330 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 330 A C 2.155 179.789 177.584 0.083 0.000 1.175 330 A CA 1.745 53.819 52.037 0.061 0.000 0.627 330 A CB -0.557 18.465 19.000 0.037 0.000 0.815 330 A HN 0.647 nan 8.150 nan 0.000 0.443 331 Q N -0.290 119.562 119.800 0.086 0.000 2.181 331 Q HA -0.046 4.294 4.340 -0.000 0.000 0.205 331 Q C 0.154 176.205 176.000 0.085 0.000 0.980 331 Q CA 0.528 56.373 55.803 0.070 0.000 0.862 331 Q CB -0.471 28.299 28.738 0.053 0.000 0.905 331 Q HN 0.614 nan 8.270 nan 0.000 0.429 332 L N 4.001 125.307 121.223 0.138 0.000 2.513 332 L HA 0.130 4.470 4.340 -0.000 0.000 0.272 332 L C -1.908 175.075 176.870 0.188 0.000 1.187 332 L CA -1.537 53.388 54.840 0.141 0.000 0.895 332 L CB -0.081 42.112 42.059 0.224 0.000 1.147 332 L HN 0.229 nan 8.230 nan 0.000 0.483 333 P HA 0.020 nan 4.420 nan 0.000 0.271 333 P C 0.292 177.695 177.300 0.171 0.000 1.216 333 P CA -0.381 62.779 63.100 0.099 0.000 0.776 333 P CB 0.858 32.577 31.700 0.032 0.000 0.881 334 R N 3.433 124.052 120.500 0.199 0.000 2.140 334 R HA -0.231 4.109 4.340 -0.000 0.000 0.250 334 R C 2.007 178.439 176.300 0.221 0.000 1.150 334 R CA 2.515 58.768 56.100 0.256 0.000 0.966 334 R CB -0.412 29.966 30.300 0.130 0.000 0.869 334 R HN 0.624 nan 8.270 nan 0.000 0.445 335 E N 0.111 120.370 120.200 0.098 0.000 2.267 335 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 335 E C 1.900 178.502 176.600 0.003 0.000 0.998 335 E CA 1.016 57.447 56.400 0.052 0.000 0.830 335 E CB -0.302 29.411 29.700 0.022 0.000 0.751 335 E HN 0.292 nan 8.360 nan 0.000 0.491 336 L N 0.269 121.434 121.223 -0.098 0.000 2.042 336 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 336 L C 1.879 178.566 176.870 -0.306 0.000 1.076 336 L CA 1.734 56.381 54.840 -0.322 0.000 0.749 336 L CB -0.375 41.263 42.059 -0.703 0.000 0.893 336 L HN 0.197 nan 8.230 nan 0.000 0.432 337 F N -1.776 118.198 119.950 0.041 0.000 2.749 337 F HA 0.119 4.646 4.527 -0.000 0.000 0.300 337 F C 2.102 177.907 175.800 0.009 0.000 1.103 337 F CA -0.191 57.830 58.000 0.035 0.000 1.342 337 F CB -0.729 38.283 39.000 0.019 0.000 1.098 337 F HN 0.050 nan 8.300 nan 0.000 0.586 338 E N 0.849 121.157 120.200 0.181 0.000 2.114 338 E HA -0.300 4.050 4.350 -0.000 0.000 0.199 338 E C 1.933 178.572 176.600 0.065 0.000 1.008 338 E CA 1.847 58.309 56.400 0.103 0.000 0.810 338 E CB -0.114 29.628 29.700 0.071 0.000 0.739 338 E HN 0.318 nan 8.360 nan 0.000 0.456 339 E N 0.698 120.931 120.200 0.056 0.000 2.017 339 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 339 E C 2.094 178.703 176.600 0.014 0.000 0.997 339 E CA 1.225 57.645 56.400 0.034 0.000 0.804 339 E CB -0.101 29.621 29.700 0.037 0.000 0.757 339 E HN 0.083 nan 8.360 nan 0.000 0.448 340 Q N -0.075 119.729 119.800 0.007 0.000 2.112 340 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 340 Q C 2.105 178.074 176.000 -0.052 0.000 0.987 340 Q CA 1.659 57.416 55.803 -0.076 0.000 0.858 340 Q CB -0.645 27.995 28.738 -0.164 0.000 0.905 340 Q HN 0.377 nan 8.270 nan 0.000 0.420 341 A N 0.943 123.764 122.820 0.000 0.000 1.883 341 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 341 A C 2.159 179.734 177.584 -0.015 0.000 1.186 341 A CA 2.054 54.087 52.037 -0.008 0.000 0.624 341 A CB -0.452 18.557 19.000 0.015 0.000 0.822 341 A HN 0.290 nan 8.150 nan 0.000 0.444 342 K N -0.541 119.856 120.400 -0.004 0.000 2.032 342 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 342 K C 2.323 178.915 176.600 -0.014 0.000 1.048 342 K CA 1.637 57.921 56.287 -0.006 0.000 0.927 342 K CB -0.170 32.332 32.500 0.003 0.000 0.712 342 K HN 0.446 nan 8.250 nan 0.000 0.441 343 R N 0.134 120.620 120.500 -0.022 0.000 2.081 343 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 343 R C 2.378 178.658 176.300 -0.034 0.000 1.131 343 R CA 1.218 57.302 56.100 -0.028 0.000 0.960 343 R CB -0.342 29.934 30.300 -0.041 0.000 0.856 343 R HN 0.198 nan 8.270 nan 0.000 0.436 344 R N 0.530 121.003 120.500 -0.045 0.000 2.070 344 R HA -0.101 4.239 4.340 -0.000 0.000 0.233 344 R C 2.389 178.671 176.300 -0.030 0.000 1.137 344 R CA 1.536 57.609 56.100 -0.045 0.000 0.945 344 R CB -0.425 29.842 30.300 -0.054 0.000 0.845 344 R HN 0.045 nan 8.270 nan 0.000 0.430 345 V N 0.436 120.334 119.914 -0.025 0.000 2.392 345 V HA -0.229 3.891 4.120 -0.000 0.000 0.249 345 V C 2.315 178.400 176.094 -0.014 0.000 1.059 345 V CA 1.595 63.883 62.300 -0.019 0.000 1.051 345 V CB -0.312 31.501 31.823 -0.016 0.000 0.658 345 V HN 0.157 nan 8.190 nan 0.000 0.455 346 V N -0.523 119.383 119.914 -0.012 0.000 2.323 346 V HA -0.180 3.940 4.120 -0.000 0.000 0.244 346 V C 2.403 178.493 176.094 -0.007 0.000 1.041 346 V CA 1.774 64.069 62.300 -0.008 0.000 1.025 346 V CB -0.290 31.530 31.823 -0.006 0.000 0.656 346 V HN 0.401 nan 8.190 nan 0.000 0.451 347 V N 1.067 120.975 119.914 -0.011 0.000 2.407 347 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 347 V C 2.622 178.711 176.094 -0.008 0.000 1.055 347 V CA 2.162 64.457 62.300 -0.009 0.000 1.049 347 V CB -1.428 30.387 31.823 -0.013 0.000 0.662 347 V HN 0.620 nan 8.190 nan 0.000 0.455 348 G N -0.231 108.562 108.800 -0.012 0.000 2.418 348 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 348 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 348 G C 1.566 176.461 174.900 -0.007 0.000 1.158 348 G CA 0.835 45.928 45.100 -0.011 0.000 0.771 348 G HN 0.483 nan 8.290 nan 0.000 0.545 349 L N -0.209 121.010 121.223 -0.007 0.000 2.141 349 L HA 0.072 4.412 4.340 -0.000 0.000 0.209 349 L C 2.849 179.719 176.870 -0.001 0.000 1.094 349 L CA 0.233 55.070 54.840 -0.004 0.000 0.763 349 L CB -0.326 41.730 42.059 -0.003 0.000 0.908 349 L HN 0.177 nan 8.230 nan 0.000 0.437 350 L N -0.521 120.702 121.223 0.000 0.000 1.994 350 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 350 L C 2.508 179.383 176.870 0.008 0.000 1.071 350 L CA 1.404 56.247 54.840 0.005 0.000 0.745 350 L CB -0.379 41.683 42.059 0.005 0.000 0.892 350 L HN 0.236 nan 8.230 nan 0.000 0.431 351 L N -0.783 120.444 121.223 0.006 0.000 2.056 351 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 351 L C 2.644 179.519 176.870 0.009 0.000 1.078 351 L CA 1.330 56.176 54.840 0.010 0.000 0.749 351 L CB -1.156 40.907 42.059 0.007 0.000 0.901 351 L HN 0.346 nan 8.230 nan 0.000 0.433 352 G N -0.750 108.052 108.800 0.003 0.000 2.450 352 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 352 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 352 G C 1.549 176.446 174.900 -0.004 0.000 1.130 352 G CA 0.493 45.592 45.100 -0.001 0.000 0.760 352 G HN 0.271 nan 8.290 nan 0.000 0.557 353 E N 0.435 120.632 120.200 -0.005 0.000 2.107 353 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 353 E C 2.752 179.338 176.600 -0.023 0.000 0.982 353 E CA 0.688 57.078 56.400 -0.016 0.000 0.809 353 E CB -0.115 29.579 29.700 -0.010 0.000 0.756 353 E HN 0.295 nan 8.360 nan 0.000 0.459 354 V N 1.199 121.119 119.914 0.011 0.000 2.323 354 V HA -0.224 3.896 4.120 -0.000 0.000 0.244 354 V C 2.574 178.705 176.094 0.060 0.000 1.041 354 V CA 1.397 63.731 62.300 0.056 0.000 1.025 354 V CB -0.421 31.453 31.823 0.085 0.000 0.656 354 V HN 0.202 nan 8.190 nan 0.000 0.451 355 I N -0.166 120.427 120.570 0.038 0.000 2.179 355 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 355 I C 2.777 178.899 176.117 0.009 0.000 1.088 355 I CA 1.878 63.200 61.300 0.036 0.000 1.357 355 I CB -0.416 37.597 38.000 0.022 0.000 1.051 355 I HN 0.205 nan 8.210 nan 0.000 0.409 356 R N 0.441 120.930 120.500 -0.018 0.000 2.081 356 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 356 R C 2.215 178.467 176.300 -0.081 0.000 1.131 356 R CA 1.988 58.067 56.100 -0.035 0.000 0.960 356 R CB -0.275 30.006 30.300 -0.032 0.000 0.856 356 R HN 0.256 nan 8.270 nan 0.000 0.436 357 T N 0.041 114.500 114.554 -0.159 0.000 2.833 357 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 357 T C 0.809 175.247 174.700 -0.436 0.000 1.054 357 T CA 1.066 62.974 62.100 -0.321 0.000 1.135 357 T CB -0.131 68.468 68.868 -0.449 0.000 0.869 357 T HN 0.404 nan 8.240 nan 0.000 0.466 358 H N 0.402 119.474 119.070 0.003 0.000 2.528 358 H HA 0.326 4.882 4.556 -0.000 0.000 0.282 358 H C 0.247 175.576 175.328 0.002 0.000 1.097 358 H CA -0.178 55.872 56.048 0.003 0.000 1.121 358 H CB 0.045 29.808 29.762 0.002 0.000 1.590 358 H HN 0.449 nan 8.280 nan 0.000 0.553 359 E N 1.193 121.422 120.200 0.048 0.000 2.269 359 E HA -0.185 4.165 4.350 -0.000 0.000 0.223 359 E C -0.584 176.046 176.600 0.050 0.000 1.244 359 E CA -0.049 56.373 56.400 0.037 0.000 0.713 359 E CB -1.221 28.496 29.700 0.029 0.000 1.178 359 E HN 0.454 nan 8.360 nan 0.000 0.370 360 L N 1.024 122.284 121.223 0.062 0.000 2.367 360 L HA 0.169 4.509 4.340 -0.000 0.000 0.275 360 L C 0.714 177.602 176.870 0.030 0.000 1.129 360 L CA -0.114 54.758 54.840 0.052 0.000 0.839 360 L CB 0.454 42.551 42.059 0.063 0.000 1.133 360 L HN -0.075 nan 8.230 nan 0.000 0.453 361 K N 3.904 124.317 120.400 0.022 0.000 2.253 361 K HA 0.710 5.030 4.320 -0.000 0.000 0.277 361 K C -0.591 176.016 176.600 0.012 0.000 1.053 361 K CA -0.224 56.072 56.287 0.015 0.000 0.892 361 K CB 1.863 34.370 32.500 0.012 0.000 1.102 361 K HN 0.648 nan 8.250 nan 0.000 0.469 362 A N 2.175 125.001 122.820 0.010 0.000 2.486 362 A HA 0.287 4.607 4.320 -0.000 0.000 0.300 362 A C -1.095 176.492 177.584 0.005 0.000 1.048 362 A CA -0.888 51.153 52.037 0.008 0.000 0.696 362 A CB 1.159 20.164 19.000 0.010 0.000 1.278 362 A HN 0.658 nan 8.150 nan 0.000 0.405 363 D N 1.564 121.966 120.400 0.003 0.000 2.472 363 D HA -0.043 4.597 4.640 -0.000 0.000 0.248 363 D C 1.115 177.415 176.300 0.000 0.000 1.174 363 D CA 0.756 54.757 54.000 0.002 0.000 0.883 363 D CB 0.674 41.475 40.800 0.001 0.000 1.149 363 D HN 0.628 nan 8.370 nan 0.000 0.488 364 E N 2.549 122.748 120.200 -0.001 0.000 2.147 364 E HA -0.338 4.012 4.350 -0.000 0.000 0.199 364 E C 1.050 177.648 176.600 -0.005 0.000 1.005 364 E CA 1.318 57.717 56.400 -0.003 0.000 0.810 364 E CB 0.193 29.890 29.700 -0.005 0.000 0.736 364 E HN 0.569 nan 8.360 nan 0.000 0.460 365 E N 0.325 120.522 120.200 -0.004 0.000 2.106 365 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 365 E C 1.837 178.435 176.600 -0.003 0.000 0.984 365 E CA 1.107 57.504 56.400 -0.005 0.000 0.806 365 E CB 0.132 29.830 29.700 -0.004 0.000 0.750 365 E HN 0.193 nan 8.360 nan 0.000 0.458 366 K N -0.415 119.984 120.400 -0.001 0.000 2.025 366 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 366 K C 2.097 178.697 176.600 -0.000 0.000 1.049 366 K CA 1.229 57.516 56.287 0.000 0.000 0.933 366 K CB -0.203 32.298 32.500 0.002 0.000 0.714 366 K HN -0.008 nan 8.250 nan 0.000 0.438 367 V N 2.243 122.157 119.914 -0.000 0.000 2.282 367 V HA -0.303 3.817 4.120 -0.000 0.000 0.249 367 V C 2.118 178.209 176.094 -0.004 0.000 1.057 367 V CA 1.817 64.117 62.300 -0.001 0.000 1.032 367 V CB -0.414 31.409 31.823 -0.000 0.000 0.645 367 V HN 0.314 nan 8.190 nan 0.000 0.447 368 K N -0.191 120.205 120.400 -0.007 0.000 2.152 368 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 368 K C 2.253 178.847 176.600 -0.010 0.000 1.048 368 K CA 1.402 57.682 56.287 -0.011 0.000 0.933 368 K CB -0.360 32.132 32.500 -0.013 0.000 0.721 368 K HN 0.516 nan 8.250 nan 0.000 0.447 369 A N 1.173 123.990 122.820 -0.006 0.000 1.873 369 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 369 A C 2.045 179.628 177.584 -0.002 0.000 1.186 369 A CA 0.998 53.033 52.037 -0.003 0.000 0.616 369 A CB -0.457 18.544 19.000 0.001 0.000 0.823 369 A HN 0.175 nan 8.150 nan 0.000 0.442 370 L N 0.141 121.363 121.223 -0.001 0.000 2.046 370 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 370 L C 2.278 179.145 176.870 -0.004 0.000 1.077 370 L CA 1.585 56.425 54.840 -0.000 0.000 0.747 370 L CB -0.494 41.566 42.059 0.002 0.000 0.896 370 L HN 0.448 nan 8.230 nan 0.000 0.432 371 I N -1.337 119.228 120.570 -0.009 0.000 2.208 371 I HA -0.356 3.814 4.170 -0.000 0.000 0.245 371 I C 2.209 178.312 176.117 -0.024 0.000 1.097 371 I CA 1.743 63.033 61.300 -0.015 0.000 1.363 371 I CB -0.648 37.341 38.000 -0.018 0.000 1.051 371 I HN 0.266 nan 8.210 nan 0.000 0.413 372 T N -0.265 114.275 114.554 -0.023 0.000 2.746 372 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 372 T C 1.825 176.512 174.700 -0.021 0.000 1.039 372 T CA 1.609 63.692 62.100 -0.030 0.000 1.142 372 T CB -0.198 68.660 68.868 -0.016 0.000 0.866 372 T HN 0.397 nan 8.240 nan 0.000 0.444 373 E N 0.295 120.493 120.200 -0.004 0.000 2.047 373 E HA -0.047 4.303 4.350 -0.000 0.000 0.191 373 E C 2.212 178.815 176.600 0.004 0.000 0.987 373 E CA 0.939 57.344 56.400 0.008 0.000 0.799 373 E CB -0.079 29.628 29.700 0.012 0.000 0.752 373 E HN 0.448 nan 8.360 nan 0.000 0.449 374 M N -0.255 119.343 119.600 -0.003 0.000 2.254 374 M HA -0.062 4.418 4.480 -0.000 0.000 0.265 374 M C 2.322 178.614 176.300 -0.013 0.000 1.066 374 M CA 1.168 56.467 55.300 -0.003 0.000 1.123 374 M CB 0.037 32.635 32.600 -0.003 0.000 1.388 374 M HN 0.176 nan 8.290 nan 0.000 0.425 375 A N 0.306 123.108 122.820 -0.030 0.000 1.855 375 A HA -0.108 4.212 4.320 -0.000 0.000 0.213 375 A C 2.158 179.697 177.584 -0.075 0.000 1.195 375 A CA 1.896 53.903 52.037 -0.051 0.000 0.610 375 A CB -1.147 17.813 19.000 -0.068 0.000 0.837 375 A HN 0.529 nan 8.150 nan 0.000 0.444 376 T N -2.143 112.353 114.554 -0.096 0.000 3.160 376 T HA 0.434 4.784 4.350 -0.000 0.000 0.257 376 T C 0.912 175.624 174.700 0.020 0.000 1.147 376 T CA 0.967 62.994 62.100 -0.122 0.000 1.064 376 T CB -1.277 67.509 68.868 -0.136 0.000 0.949 376 T HN 1.717 nan 8.240 nan 0.000 0.526 377 A N 0.000 122.829 122.820 0.014 0.000 2.254 377 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 377 A CA 0.000 52.058 52.037 0.035 0.000 0.836 377 A CB 0.000 19.020 19.000 0.034 0.000 0.831 377 A HN 0.000 nan 8.150 nan 0.000 0.486