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 3dlx_1_D DATA FIRST_RESID 40 DATA SEQUENCE TKFYTDPVEA VKDIPDGATV LVGGFGLCGI PENLIDALLK TGVKGLTAVS DATA SEQUENCE NNAGVDNFGL GLLLRSKQIK RMVSSYVGEN AEFERQYLSG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTPT GYGTLVQEGG SPIKYNKXGS VAIASKPREV DATA SEQUENCE REFNGQHFIL EEAITGDFAL VKAWKADRAG NVIFRKSARN FNLPMCKAAE DATA SEQUENCE TTVVEVEEIV DIGAFAPEDI HIPQIYVHRL IKGEKYEKRI ERLSIRKXXX DATA SEQUENCE XXXXXXXXXX XXRERIIKRA ALEFEDGMYA NLGIGIPLLA SNFISPNITV DATA SEQUENCE HLQSENGVLG LGPYPRQHEA DADLINAGKE TVTILPGASF FSSDESFAMI DATA SEQUENCE RGGHVDLTML GAMQVSKYGD LANWMIPGKM VKGMGGAMDL VSSAKTKVVV DATA SEQUENCE TMEHSAKGNA HKIMEKCTLP LTGKQCVNRI ITEKAVFDVD KKKGLTLIEL DATA SEQUENCE WXXXXXDDVQ KSTGCDFAVS PKLMPMQQIA 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 40 T HA 0.000 nan 4.350 nan 0.000 0.228 40 T C 0.000 174.658 174.700 -0.069 0.000 1.109 40 T CA 0.000 62.063 62.100 -0.061 0.000 1.349 40 T CB 0.000 68.721 68.868 -0.245 0.000 0.612 41 K N 1.838 122.181 120.400 -0.095 0.000 2.274 41 K HA 0.635 4.955 4.320 -0.000 0.000 0.262 41 K C -1.209 175.273 176.600 -0.197 0.000 0.961 41 K CA -0.665 55.584 56.287 -0.063 0.000 0.833 41 K CB 0.800 33.297 32.500 -0.005 0.000 1.102 41 K HN 0.422 nan 8.250 nan 0.000 0.436 42 F N 3.121 123.001 119.950 -0.116 0.000 2.394 42 F HA 0.342 4.869 4.527 0.000 0.000 0.340 42 F C -0.214 175.443 175.800 -0.239 0.000 1.105 42 F CA -0.303 57.665 58.000 -0.052 0.000 1.124 42 F CB 0.694 39.674 39.000 -0.034 0.000 1.145 42 F HN 0.378 nan 8.300 nan 0.000 0.505 43 Y N -0.042 120.361 120.300 0.171 0.000 2.462 43 Y HA 0.296 4.846 4.550 0.000 0.000 0.346 43 Y C 0.912 176.875 175.900 0.106 0.000 0.976 43 Y CA -0.754 57.414 58.100 0.113 0.000 1.044 43 Y CB 2.259 40.763 38.460 0.074 0.000 1.230 43 Y HN 0.621 nan 8.280 nan 0.000 0.455 44 T N -0.758 113.931 114.554 0.226 0.000 3.014 44 T HA 0.043 4.393 4.350 -0.000 0.000 0.250 44 T C -0.521 174.260 174.700 0.135 0.000 1.060 44 T CA 0.474 62.663 62.100 0.148 0.000 1.040 44 T CB -0.156 68.768 68.868 0.092 0.000 0.971 44 T HN 0.540 nan 8.240 nan 0.000 0.497 45 D N 1.301 121.803 120.400 0.169 0.000 2.471 45 D HA 0.373 5.013 4.640 -0.000 0.000 0.245 45 D C -1.698 174.645 176.300 0.072 0.000 1.116 45 D CA -2.440 51.622 54.000 0.104 0.000 0.853 45 D CB 2.281 43.136 40.800 0.093 0.000 1.123 45 D HN 0.003 nan 8.370 nan 0.000 0.540 46 P HA -0.120 nan 4.420 nan 0.000 0.220 46 P C 1.462 178.724 177.300 -0.063 0.000 1.148 46 P CA 0.355 63.442 63.100 -0.022 0.000 0.803 46 P CB 0.606 32.298 31.700 -0.013 0.000 0.782 47 V N 0.639 120.530 119.914 -0.037 0.000 2.358 47 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 47 V C 2.732 178.789 176.094 -0.061 0.000 1.047 47 V CA 2.038 64.309 62.300 -0.049 0.000 1.035 47 V CB -1.232 30.576 31.823 -0.024 0.000 0.658 47 V HN 0.100 nan 8.190 nan 0.000 0.452 48 E N 0.438 120.623 120.200 -0.025 0.000 2.153 48 E HA -0.159 4.190 4.350 -0.000 0.000 0.194 48 E C 2.123 178.597 176.600 -0.211 0.000 0.988 48 E CA 1.381 57.779 56.400 -0.003 0.000 0.811 48 E CB -0.388 29.412 29.700 0.166 0.000 0.746 48 E HN 0.560 nan 8.360 nan 0.000 0.466 49 A N -0.220 122.338 122.820 -0.436 0.000 2.014 49 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 49 A C 1.943 179.302 177.584 -0.376 0.000 1.163 49 A CA 1.495 53.048 52.037 -0.807 0.000 0.652 49 A CB -0.128 18.485 19.000 -0.646 0.000 0.808 49 A HN 0.303 nan 8.150 nan 0.000 0.449 50 V N -4.258 115.510 119.914 -0.243 0.000 3.253 50 V HA 0.290 4.410 4.120 -0.000 0.000 0.320 50 V C 1.398 177.359 176.094 -0.221 0.000 1.442 50 V CA 0.526 62.683 62.300 -0.238 0.000 1.097 50 V CB -0.320 31.373 31.823 -0.216 0.000 1.008 50 V HN 0.368 nan 8.190 nan 0.000 0.463 51 K N 2.417 122.729 120.400 -0.147 0.000 2.144 51 K HA -0.252 4.068 4.320 -0.000 0.000 0.209 51 K C 1.407 177.951 176.600 -0.094 0.000 1.047 51 K CA 2.471 58.703 56.287 -0.092 0.000 0.927 51 K CB -0.030 32.446 32.500 -0.039 0.000 0.716 51 K HN 0.849 nan 8.250 nan 0.000 0.454 52 D N -0.140 120.201 120.400 -0.098 0.000 2.388 52 D HA 0.020 4.660 4.640 -0.000 0.000 0.221 52 D C 0.243 176.465 176.300 -0.131 0.000 1.133 52 D CA -0.171 53.806 54.000 -0.039 0.000 0.831 52 D CB -0.302 40.548 40.800 0.083 0.000 0.962 52 D HN 0.158 nan 8.370 nan 0.000 0.502 53 I N 2.487 122.818 120.570 -0.399 0.000 2.505 53 I HA 0.112 4.282 4.170 -0.000 0.000 0.287 53 I C -1.921 174.086 176.117 -0.183 0.000 1.104 53 I CA -1.407 59.563 61.300 -0.549 0.000 1.387 53 I CB 0.100 37.689 38.000 -0.686 0.000 1.404 53 I HN -0.172 nan 8.210 nan 0.000 0.528 54 P HA 0.135 nan 4.420 nan 0.000 0.278 54 P C -0.655 176.636 177.300 -0.014 0.000 1.238 54 P CA -0.457 62.642 63.100 -0.003 0.000 0.794 54 P CB 0.682 32.415 31.700 0.054 0.000 0.955 55 D N 1.006 121.398 120.400 -0.014 0.000 2.548 55 D HA 0.149 4.789 4.640 -0.000 0.000 0.231 55 D C 1.653 177.956 176.300 0.005 0.000 1.142 55 D CA 1.988 55.982 54.000 -0.010 0.000 0.866 55 D CB -0.131 40.664 40.800 -0.007 0.000 1.190 55 D HN 0.732 nan 8.370 nan 0.000 0.469 56 G N 0.845 109.648 108.800 0.005 0.000 2.179 56 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.260 56 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.260 56 G C 0.533 175.452 174.900 0.032 0.000 0.977 56 G CA 0.415 45.525 45.100 0.016 0.000 0.641 56 G HN 0.874 nan 8.290 nan 0.000 0.533 57 A N 0.051 122.896 122.820 0.042 0.000 2.445 57 A HA 0.597 4.917 4.320 -0.000 0.000 0.242 57 A C 0.775 178.403 177.584 0.072 0.000 1.075 57 A CA 1.264 53.352 52.037 0.086 0.000 0.777 57 A CB 0.308 19.385 19.000 0.129 0.000 1.013 57 A HN 0.796 nan 8.150 nan 0.000 0.493 58 T N 2.096 116.704 114.554 0.090 0.000 2.728 58 T HA 0.465 4.815 4.350 -0.000 0.000 0.296 58 T C -0.342 174.425 174.700 0.112 0.000 0.940 58 T CA -0.120 62.024 62.100 0.073 0.000 1.013 58 T CB 0.441 69.341 68.868 0.054 0.000 0.912 58 T HN 0.414 nan 8.240 nan 0.000 0.484 59 V N 5.653 125.618 119.914 0.086 0.000 2.444 59 V HA 0.377 4.497 4.120 -0.000 0.000 0.294 59 V C 0.031 176.164 176.094 0.065 0.000 1.022 59 V CA -0.964 61.399 62.300 0.105 0.000 0.850 59 V CB 1.545 33.406 31.823 0.063 0.000 0.992 59 V HN 0.759 nan 8.190 nan 0.000 0.426 60 L N 5.477 126.747 121.223 0.079 0.000 2.319 60 L HA 0.512 4.852 4.340 -0.000 0.000 0.280 60 L C -0.536 176.364 176.870 0.050 0.000 1.099 60 L CA -0.369 54.504 54.840 0.055 0.000 0.828 60 L CB 1.159 43.259 42.059 0.068 0.000 1.150 60 L HN 0.378 nan 8.230 nan 0.000 0.442 61 V N 2.358 122.282 119.914 0.018 0.000 2.407 61 V HA 0.450 4.570 4.120 -0.000 0.000 0.291 61 V C 0.733 176.835 176.094 0.014 0.000 1.018 61 V CA -0.693 61.615 62.300 0.014 0.000 0.842 61 V CB 1.315 33.130 31.823 -0.014 0.000 0.996 61 V HN 0.884 nan 8.190 nan 0.000 0.426 62 G N 2.417 111.251 108.800 0.057 0.000 2.636 62 G HA2 0.605 4.565 3.960 -0.000 0.000 0.246 62 G HA3 0.605 4.565 3.960 -0.000 0.000 0.246 62 G C 0.293 175.241 174.900 0.080 0.000 1.216 62 G CA 0.400 45.555 45.100 0.092 0.000 0.854 62 G HN 1.706 nan 8.290 nan 0.000 0.572 63 G N -1.525 107.355 108.800 0.133 0.000 2.525 63 G HA2 0.358 4.318 3.960 -0.000 0.000 0.685 63 G HA3 0.358 4.318 3.960 -0.000 0.000 0.685 63 G C -1.196 173.832 174.900 0.213 0.000 1.285 63 G CA -0.479 44.709 45.100 0.147 0.000 0.849 63 G HN 1.294 nan 8.290 nan 0.000 0.653 64 F N 2.420 122.414 119.950 0.074 0.000 2.496 64 F HA 0.599 5.126 4.527 0.000 0.000 0.341 64 F C 0.990 176.823 175.800 0.056 0.000 1.134 64 F CA 1.396 59.447 58.000 0.085 0.000 0.968 64 F CB 1.217 40.289 39.000 0.120 0.000 1.205 64 F HN 2.251 nan 8.300 nan 0.000 0.436 65 G N 4.885 113.591 108.800 -0.156 0.000 2.556 65 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.283 65 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.283 65 G C 0.406 175.341 174.900 0.059 0.000 1.177 65 G CA 0.220 45.306 45.100 -0.023 0.000 0.978 65 G HN 0.772 nan 8.290 nan 0.000 0.554 66 L N 0.386 121.678 121.223 0.116 0.000 2.607 66 L HA 0.271 4.611 4.340 -0.000 0.000 0.228 66 L C 1.599 178.561 176.870 0.153 0.000 1.123 66 L CA -0.041 54.895 54.840 0.159 0.000 0.890 66 L CB 0.284 42.471 42.059 0.212 0.000 1.103 66 L HN 0.557 nan 8.230 nan 0.000 0.468 67 C N 1.864 121.254 119.300 0.149 0.000 2.464 67 C HA 0.521 4.981 4.460 -0.000 0.000 0.370 67 C C 1.619 176.675 174.990 0.110 0.000 1.267 67 C CA 0.150 59.239 59.018 0.118 0.000 1.781 67 C CB -1.067 26.747 27.740 0.123 0.000 2.431 67 C HN 0.823 nan 8.230 nan 0.000 0.556 68 G N 6.314 115.156 108.800 0.071 0.000 2.298 68 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.287 68 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.287 68 G C -0.172 174.785 174.900 0.095 0.000 1.075 68 G CA 0.489 45.632 45.100 0.071 0.000 0.960 68 G HN 1.507 nan 8.290 nan 0.000 0.502 69 I N -1.893 118.734 120.570 0.095 0.000 2.428 69 I HA 0.679 4.849 4.170 -0.000 0.000 0.296 69 I C -1.987 174.186 176.117 0.094 0.000 0.985 69 I CA -3.190 58.155 61.300 0.076 0.000 1.260 69 I CB 1.979 40.003 38.000 0.040 0.000 1.389 69 I HN -0.054 nan 8.210 nan 0.000 0.484 70 P HA 0.190 nan 4.420 nan 0.000 0.252 70 P C -0.096 177.245 177.300 0.069 0.000 1.727 70 P CA 0.008 63.173 63.100 0.110 0.000 1.134 70 P CB 0.615 32.364 31.700 0.082 0.000 1.876 71 E N 1.841 122.118 120.200 0.128 0.000 2.072 71 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 71 E C 1.520 178.102 176.600 -0.029 0.000 0.985 71 E CA 1.011 57.414 56.400 0.005 0.000 0.801 71 E CB -0.027 29.749 29.700 0.127 0.000 0.750 71 E HN 0.463 nan 8.360 nan 0.000 0.452 72 N N 0.483 119.189 118.700 0.011 0.000 2.300 72 N HA -0.040 4.700 4.740 -0.000 0.000 0.179 72 N C 1.956 177.453 175.510 -0.022 0.000 1.016 72 N CA 0.643 53.667 53.050 -0.044 0.000 0.876 72 N CB 0.125 38.569 38.487 -0.073 0.000 0.979 72 N HN 0.152 nan 8.380 nan 0.000 0.432 73 L N 0.808 122.035 121.223 0.005 0.000 2.109 73 L HA 0.013 4.353 4.340 -0.000 0.000 0.207 73 L C 2.208 179.053 176.870 -0.041 0.000 1.086 73 L CA 0.596 55.428 54.840 -0.014 0.000 0.760 73 L CB -0.248 41.817 42.059 0.010 0.000 0.910 73 L HN 0.047 nan 8.230 nan 0.000 0.437 74 I N 0.158 120.698 120.570 -0.050 0.000 2.286 74 I HA -0.320 3.850 4.170 -0.000 0.000 0.248 74 I C 2.062 178.133 176.117 -0.077 0.000 1.115 74 I CA 1.616 62.870 61.300 -0.076 0.000 1.392 74 I CB -0.204 37.724 38.000 -0.119 0.000 1.065 74 I HN 0.305 nan 8.210 nan 0.000 0.418 75 D N 0.591 120.947 120.400 -0.073 0.000 2.178 75 D HA -0.125 4.515 4.640 -0.000 0.000 0.202 75 D C 2.192 178.464 176.300 -0.047 0.000 0.974 75 D CA 1.119 55.085 54.000 -0.057 0.000 0.841 75 D CB 0.152 40.922 40.800 -0.049 0.000 0.953 75 D HN 0.303 nan 8.370 nan 0.000 0.478 76 A N -0.224 122.566 122.820 -0.050 0.000 1.969 76 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 76 A C 1.950 179.496 177.584 -0.063 0.000 1.169 76 A CA 0.777 52.783 52.037 -0.053 0.000 0.635 76 A CB -0.530 18.434 19.000 -0.059 0.000 0.810 76 A HN 0.287 nan 8.150 nan 0.000 0.445 77 L N -0.595 120.586 121.223 -0.070 0.000 2.201 77 L HA -0.032 4.308 4.340 -0.000 0.000 0.212 77 L C 2.292 179.127 176.870 -0.057 0.000 1.105 77 L CA 1.101 55.896 54.840 -0.075 0.000 0.775 77 L CB -0.558 41.453 42.059 -0.080 0.000 0.913 77 L HN 0.346 nan 8.230 nan 0.000 0.440 78 L N -1.117 120.077 121.223 -0.048 0.000 2.201 78 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 78 L C 2.388 179.240 176.870 -0.029 0.000 1.105 78 L CA 1.123 55.942 54.840 -0.035 0.000 0.775 78 L CB -0.376 41.665 42.059 -0.029 0.000 0.913 78 L HN 0.239 nan 8.230 nan 0.000 0.440 79 K N -0.644 119.737 120.400 -0.032 0.000 2.076 79 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 79 K C 2.147 178.728 176.600 -0.031 0.000 1.051 79 K CA 1.721 57.991 56.287 -0.027 0.000 0.949 79 K CB -0.336 32.149 32.500 -0.025 0.000 0.726 79 K HN 0.377 nan 8.250 nan 0.000 0.443 80 T N -1.506 113.022 114.554 -0.043 0.000 2.962 80 T HA -0.021 4.329 4.350 -0.000 0.000 0.270 80 T C 1.540 176.215 174.700 -0.042 0.000 1.088 80 T CA 1.018 63.089 62.100 -0.048 0.000 1.127 80 T CB -0.409 68.417 68.868 -0.071 0.000 0.883 80 T HN 0.398 nan 8.240 nan 0.000 0.493 81 G N 0.783 109.559 108.800 -0.039 0.000 2.203 81 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.263 81 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.263 81 G C 0.224 175.103 174.900 -0.036 0.000 1.012 81 G CA 0.281 45.362 45.100 -0.032 0.000 0.749 81 G HN 1.029 nan 8.290 nan 0.000 0.512 82 V N -0.404 119.480 119.914 -0.050 0.000 2.673 82 V HA 0.606 4.726 4.120 -0.000 0.000 0.303 82 V C 0.624 176.693 176.094 -0.042 0.000 1.046 82 V CA 1.525 63.792 62.300 -0.054 0.000 1.126 82 V CB 0.647 32.418 31.823 -0.087 0.000 0.934 82 V HN 1.218 nan 8.190 nan 0.000 0.487 83 K N 3.547 123.929 120.400 -0.031 0.000 2.378 83 K HA 0.709 5.029 4.320 -0.000 0.000 0.244 83 K C 0.944 177.536 176.600 -0.015 0.000 1.039 83 K CA -0.275 56.000 56.287 -0.020 0.000 0.863 83 K CB 0.988 33.479 32.500 -0.014 0.000 1.326 83 K HN 2.314 nan 8.250 nan 0.000 0.460 84 G N 0.014 108.809 108.800 -0.009 0.000 2.179 84 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.257 84 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.257 84 G C 0.174 175.073 174.900 -0.001 0.000 1.010 84 G CA 0.492 45.590 45.100 -0.004 0.000 0.736 84 G HN 0.728 nan 8.290 nan 0.000 0.513 85 L N 0.442 121.662 121.223 -0.005 0.000 2.426 85 L HA 0.343 4.683 4.340 -0.000 0.000 0.271 85 L C 0.834 177.706 176.870 0.004 0.000 1.169 85 L CA 0.040 54.879 54.840 -0.001 0.000 0.836 85 L CB 0.795 42.847 42.059 -0.010 0.000 1.112 85 L HN 0.096 nan 8.230 nan 0.000 0.465 86 T N 2.678 117.237 114.554 0.009 0.000 2.762 86 T HA 0.426 4.776 4.350 -0.000 0.000 0.303 86 T C 0.192 174.895 174.700 0.005 0.000 0.977 86 T CA -0.468 61.635 62.100 0.006 0.000 0.961 86 T CB 0.931 69.803 68.868 0.007 0.000 0.944 86 T HN 0.653 nan 8.240 nan 0.000 0.481 87 A N 4.004 126.822 122.820 -0.004 0.000 2.302 87 A HA 0.549 4.869 4.320 -0.000 0.000 0.295 87 A C 0.185 177.750 177.584 -0.031 0.000 1.235 87 A CA -0.566 51.463 52.037 -0.014 0.000 0.876 87 A CB 0.210 19.197 19.000 -0.021 0.000 1.133 87 A HN 0.677 nan 8.150 nan 0.000 0.533 88 V N 3.208 123.105 119.914 -0.028 0.000 2.353 88 V HA 0.523 4.642 4.120 -0.000 0.000 0.264 88 V C 0.482 176.520 176.094 -0.094 0.000 1.049 88 V CA 0.185 62.453 62.300 -0.054 0.000 0.896 88 V CB 0.500 32.309 31.823 -0.024 0.000 1.025 88 V HN 0.893 nan 8.190 nan 0.000 0.475 89 S N 3.555 119.160 115.700 -0.158 0.000 2.543 89 S HA 0.338 4.808 4.470 -0.000 0.000 0.271 89 S C 0.656 175.058 174.600 -0.330 0.000 1.148 89 S CA -0.653 57.420 58.200 -0.212 0.000 0.914 89 S CB 1.653 64.763 63.200 -0.151 0.000 1.096 89 S HN 0.699 nan 8.310 nan 0.000 0.471 90 N N 3.913 122.313 118.700 -0.499 0.000 2.104 90 N HA -0.007 4.733 4.740 -0.000 0.000 0.190 90 N C 0.068 175.369 175.510 -0.347 0.000 1.024 90 N CA 1.715 54.414 53.050 -0.585 0.000 0.853 90 N CB -0.085 37.945 38.487 -0.762 0.000 1.008 90 N HN 0.720 nan 8.380 nan 0.000 0.424 91 N N -2.228 116.296 118.700 -0.295 0.000 2.380 91 N HA 0.547 5.287 4.740 -0.000 0.000 0.290 91 N C -0.972 174.378 175.510 -0.267 0.000 1.236 91 N CA -0.361 52.537 53.050 -0.254 0.000 0.780 91 N CB 1.733 40.096 38.487 -0.207 0.000 1.438 91 N HN 0.057 nan 8.380 nan 0.000 0.491 92 A N 0.456 123.074 122.820 -0.337 0.000 2.462 92 A HA 0.572 4.892 4.320 -0.000 0.000 0.261 92 A C 1.161 178.642 177.584 -0.172 0.000 1.323 92 A CA 0.458 52.286 52.037 -0.349 0.000 0.913 92 A CB -1.331 17.236 19.000 -0.722 0.000 1.028 92 A HN 0.948 nan 8.150 nan 0.000 0.511 93 G N -0.678 108.053 108.800 -0.114 0.000 2.550 93 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.277 93 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.277 93 G C 0.396 175.301 174.900 0.008 0.000 1.190 93 G CA 1.127 46.210 45.100 -0.029 0.000 0.971 93 G HN 1.845 nan 8.290 nan 0.000 0.559 94 V N -3.733 116.219 119.914 0.064 0.000 3.156 94 V HA 0.893 5.013 4.120 -0.000 0.000 0.311 94 V C 1.528 177.672 176.094 0.084 0.000 1.208 94 V CA 0.812 63.155 62.300 0.072 0.000 1.063 94 V CB 0.817 32.696 31.823 0.093 0.000 1.098 94 V HN 1.945 nan 8.190 nan 0.000 0.452 95 D N 1.310 121.758 120.400 0.079 0.000 2.116 95 D HA -0.233 4.407 4.640 -0.000 0.000 0.193 95 D C 1.224 177.580 176.300 0.093 0.000 0.998 95 D CA 2.319 56.367 54.000 0.081 0.000 0.836 95 D CB -0.648 40.191 40.800 0.066 0.000 0.951 95 D HN 1.044 nan 8.370 nan 0.000 0.449 96 N N -1.957 116.813 118.700 0.117 0.000 2.270 96 N HA 0.295 5.035 4.740 -0.000 0.000 0.198 96 N C -0.624 175.059 175.510 0.288 0.000 1.117 96 N CA -0.276 52.863 53.050 0.147 0.000 0.845 96 N CB 0.398 38.947 38.487 0.103 0.000 0.980 96 N HN 0.489 nan 8.380 nan 0.000 0.486 97 F N -0.914 119.047 119.950 0.018 0.000 2.713 97 F HA 0.583 5.110 4.527 -0.000 0.000 0.311 97 F C 0.922 176.731 175.800 0.015 0.000 1.141 97 F CA 0.233 58.245 58.000 0.020 0.000 0.939 97 F CB 1.156 40.170 39.000 0.024 0.000 1.325 97 F HN 0.211 nan 8.300 nan 0.000 0.453 98 G N 1.902 110.427 108.800 -0.458 0.000 2.547 98 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.271 98 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.271 98 G C 0.477 175.272 174.900 -0.176 0.000 1.209 98 G CA 0.343 45.272 45.100 -0.285 0.000 0.959 98 G HN 1.084 nan 8.290 nan 0.000 0.563 99 L N 2.276 123.436 121.223 -0.104 0.000 2.275 99 L HA 0.265 4.605 4.340 -0.000 0.000 0.215 99 L C 3.070 179.918 176.870 -0.036 0.000 1.119 99 L CA 2.728 57.524 54.840 -0.073 0.000 0.790 99 L CB -0.787 41.228 42.059 -0.073 0.000 0.919 99 L HN 1.010 nan 8.230 nan 0.000 0.443 100 G N -0.503 108.285 108.800 -0.021 0.000 2.532 100 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.222 100 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.222 100 G C 1.550 176.464 174.900 0.023 0.000 1.102 100 G CA 1.209 46.324 45.100 0.024 0.000 0.742 100 G HN 0.431 nan 8.290 nan 0.000 0.577 101 L N -0.402 120.812 121.223 -0.014 0.000 2.027 101 L HA 0.050 4.390 4.340 -0.000 0.000 0.206 101 L C 2.826 179.690 176.870 -0.010 0.000 1.074 101 L CA 0.615 55.446 54.840 -0.014 0.000 0.745 101 L CB -0.326 41.697 42.059 -0.060 0.000 0.898 101 L HN 0.172 nan 8.230 nan 0.000 0.433 102 L N -0.762 120.448 121.223 -0.021 0.000 2.217 102 L HA -0.163 4.177 4.340 -0.000 0.000 0.211 102 L C 2.430 179.304 176.870 0.007 0.000 1.107 102 L CA 0.767 55.599 54.840 -0.014 0.000 0.783 102 L CB -0.385 41.659 42.059 -0.026 0.000 0.919 102 L HN 0.281 nan 8.230 nan 0.000 0.442 103 L N 0.134 121.373 121.223 0.027 0.000 2.005 103 L HA -0.223 4.117 4.340 -0.000 0.000 0.207 103 L C 3.394 180.287 176.870 0.038 0.000 1.072 103 L CA 1.776 56.648 54.840 0.052 0.000 0.744 103 L CB -0.860 41.261 42.059 0.104 0.000 0.895 103 L HN 0.227 nan 8.230 nan 0.000 0.433 104 R N 0.254 120.776 120.500 0.037 0.000 2.127 104 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 104 R C 2.203 178.514 176.300 0.018 0.000 1.134 104 R CA 1.754 57.872 56.100 0.030 0.000 0.975 104 R CB -1.895 28.425 30.300 0.034 0.000 0.865 104 R HN 0.657 nan 8.270 nan 0.000 0.447 105 S N -0.745 114.962 115.700 0.012 0.000 2.603 105 S HA 0.135 4.605 4.470 -0.000 0.000 0.220 105 S C 0.316 174.917 174.600 0.002 0.000 0.967 105 S CA 0.358 58.561 58.200 0.004 0.000 0.920 105 S CB 0.245 63.443 63.200 -0.002 0.000 0.773 105 S HN 0.467 nan 8.310 nan 0.000 0.529 106 K N 0.568 120.972 120.400 0.007 0.000 3.069 106 K HA -0.200 4.120 4.320 -0.000 0.000 0.267 106 K C 0.295 176.895 176.600 -0.000 0.000 1.082 106 K CA 0.957 57.247 56.287 0.004 0.000 0.782 106 K CB -2.438 30.063 32.500 0.002 0.000 1.230 106 K HN 0.734 nan 8.250 nan 0.000 0.488 107 Q N -0.647 119.152 119.800 -0.002 0.000 2.356 107 Q HA 0.248 4.588 4.340 -0.000 0.000 0.205 107 Q C 0.488 176.484 176.000 -0.007 0.000 0.901 107 Q CA 0.272 56.070 55.803 -0.009 0.000 0.938 107 Q CB 0.531 29.259 28.738 -0.018 0.000 1.081 107 Q HN 0.384 nan 8.270 nan 0.000 0.517 108 I N 1.097 121.668 120.570 0.003 0.000 2.321 108 I HA 0.109 4.279 4.170 -0.000 0.000 0.291 108 I C 0.902 177.024 176.117 0.007 0.000 0.998 108 I CA -0.213 61.091 61.300 0.007 0.000 1.227 108 I CB 1.489 39.501 38.000 0.020 0.000 1.368 108 I HN -0.004 nan 8.210 nan 0.000 0.466 109 K N 5.994 126.396 120.400 0.003 0.000 2.099 109 K HA 0.128 4.448 4.320 -0.000 0.000 0.203 109 K C 0.828 177.426 176.600 -0.003 0.000 1.047 109 K CA 0.664 56.950 56.287 -0.000 0.000 0.963 109 K CB 0.502 33.001 32.500 -0.001 0.000 0.759 109 K HN 0.528 nan 8.250 nan 0.000 0.451 110 R N 0.475 120.974 120.500 -0.002 0.000 2.686 110 R HA 0.278 4.618 4.340 -0.000 0.000 0.283 110 R C -1.248 175.052 176.300 -0.000 0.000 0.978 110 R CA -0.639 55.456 56.100 -0.008 0.000 0.897 110 R CB 1.329 31.620 30.300 -0.016 0.000 1.192 110 R HN 0.044 nan 8.270 nan 0.000 0.457 111 M N 4.057 123.660 119.600 0.006 0.000 2.268 111 M HA 0.310 4.790 4.480 -0.000 0.000 0.344 111 M C -0.852 175.427 176.300 -0.035 0.000 1.106 111 M CA -0.877 54.425 55.300 0.002 0.000 1.010 111 M CB 1.833 34.475 32.600 0.071 0.000 1.649 111 M HN 0.302 nan 8.290 nan 0.000 0.443 112 V N 3.203 123.084 119.914 -0.054 0.000 2.328 112 V HA 0.553 4.673 4.120 -0.000 0.000 0.278 112 V C -0.120 175.905 176.094 -0.114 0.000 1.021 112 V CA -0.168 62.090 62.300 -0.071 0.000 0.838 112 V CB 1.051 32.841 31.823 -0.054 0.000 0.999 112 V HN 0.997 nan 8.190 nan 0.000 0.447 113 S N 2.132 117.756 115.700 -0.127 0.000 2.607 113 S HA 0.410 4.880 4.470 -0.000 0.000 0.273 113 S C 0.740 175.254 174.600 -0.143 0.000 1.148 113 S CA -0.051 58.044 58.200 -0.176 0.000 0.833 113 S CB 2.029 65.097 63.200 -0.220 0.000 1.130 113 S HN 0.809 nan 8.310 nan 0.000 0.470 114 S N -0.121 115.490 115.700 -0.149 0.000 2.468 114 S HA 0.234 4.704 4.470 -0.000 0.000 0.226 114 S C -0.065 174.558 174.600 0.039 0.000 1.051 114 S CA 0.172 58.330 58.200 -0.070 0.000 0.943 114 S CB -0.139 63.024 63.200 -0.061 0.000 0.810 114 S HN 0.748 nan 8.310 nan 0.000 0.509 115 Y N 1.155 121.359 120.300 -0.160 0.000 2.401 115 Y HA 0.503 5.053 4.550 0.000 0.000 0.330 115 Y C -0.422 175.352 175.900 -0.211 0.000 1.071 115 Y CA -1.011 57.013 58.100 -0.127 0.000 1.049 115 Y CB 2.131 40.517 38.460 -0.124 0.000 1.239 115 Y HN 0.087 nan 8.280 nan 0.000 0.437 116 V N 2.576 122.101 119.914 -0.648 0.000 3.078 116 V HA 0.628 4.748 4.120 -0.000 0.000 0.344 116 V C 0.607 176.345 176.094 -0.592 0.000 1.409 116 V CA 0.249 62.143 62.300 -0.676 0.000 1.146 116 V CB 0.095 31.458 31.823 -0.766 0.000 1.126 116 V HN 0.897 nan 8.190 nan 0.000 0.513 117 G N 0.155 108.379 108.800 -0.959 0.000 2.539 117 G HA2 0.521 4.480 3.960 -0.000 0.000 0.258 117 G HA3 0.521 4.480 3.960 -0.000 0.000 0.258 117 G C 0.171 174.975 174.900 -0.162 0.000 1.202 117 G CA 0.095 44.883 45.100 -0.519 0.000 0.851 117 G HN 0.596 nan 8.290 nan 0.000 0.556 118 E N -1.257 118.929 120.200 -0.024 0.000 2.596 118 E HA -0.171 4.179 4.350 -0.000 0.000 0.272 118 E C -0.169 176.445 176.600 0.023 0.000 1.039 118 E CA 0.959 57.378 56.400 0.032 0.000 0.804 118 E CB -1.419 28.327 29.700 0.077 0.000 1.373 118 E HN 0.518 nan 8.360 nan 0.000 0.404 119 N N -1.047 117.670 118.700 0.028 0.000 2.664 119 N HA 0.478 5.218 4.740 -0.000 0.000 0.268 119 N C 0.441 176.024 175.510 0.121 0.000 1.222 119 N CA 0.462 53.552 53.050 0.067 0.000 0.805 119 N CB 0.670 39.182 38.487 0.042 0.000 1.399 119 N HN 0.052 nan 8.380 nan 0.000 0.547 120 A N 2.341 125.214 122.820 0.088 0.000 1.883 120 A HA -0.178 4.141 4.320 -0.000 0.000 0.217 120 A C 1.791 179.428 177.584 0.088 0.000 1.186 120 A CA 2.035 54.118 52.037 0.077 0.000 0.624 120 A CB -0.432 18.596 19.000 0.047 0.000 0.822 120 A HN 0.713 nan 8.150 nan 0.000 0.444 121 E N -0.738 119.517 120.200 0.093 0.000 2.077 121 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 121 E C 1.657 178.315 176.600 0.097 0.000 0.989 121 E CA 1.582 58.028 56.400 0.077 0.000 0.800 121 E CB -0.536 29.207 29.700 0.071 0.000 0.746 121 E HN 0.562 nan 8.360 nan 0.000 0.452 122 F N 1.270 121.233 119.950 0.022 0.000 2.069 122 F HA -0.202 4.325 4.527 0.000 0.000 0.298 122 F C 2.419 178.266 175.800 0.078 0.000 1.113 122 F CA 3.050 61.070 58.000 0.033 0.000 1.214 122 F CB -0.917 38.087 39.000 0.005 0.000 0.978 122 F HN 0.224 nan 8.300 nan 0.000 0.474 123 E N 1.062 121.366 120.200 0.174 0.000 2.118 123 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 123 E C 2.303 178.877 176.600 -0.042 0.000 0.992 123 E CA 1.625 58.077 56.400 0.087 0.000 0.804 123 E CB -0.942 28.828 29.700 0.117 0.000 0.741 123 E HN 0.579 nan 8.360 nan 0.000 0.458 124 R N -0.429 120.051 120.500 -0.033 0.000 2.075 124 R HA -0.154 4.186 4.340 -0.000 0.000 0.230 124 R C 2.822 179.074 176.300 -0.080 0.000 1.140 124 R CA 1.795 57.863 56.100 -0.054 0.000 0.928 124 R CB -0.274 30.011 30.300 -0.026 0.000 0.834 124 R HN 0.564 nan 8.270 nan 0.000 0.429 125 Q N -0.879 118.866 119.800 -0.093 0.000 2.152 125 Q HA -0.257 4.083 4.340 -0.000 0.000 0.206 125 Q C 1.914 177.868 176.000 -0.077 0.000 0.985 125 Q CA 1.891 57.638 55.803 -0.093 0.000 0.863 125 Q CB -0.297 28.376 28.738 -0.107 0.000 0.904 125 Q HN 0.402 nan 8.270 nan 0.000 0.422 126 Y N 1.049 121.132 120.300 -0.361 0.000 2.130 126 Y HA -0.138 4.412 4.550 -0.000 0.000 0.287 126 Y C 1.816 177.704 175.900 -0.020 0.000 1.124 126 Y CA 1.207 59.143 58.100 -0.273 0.000 1.118 126 Y CB -0.587 37.585 38.460 -0.481 0.000 0.994 126 Y HN -0.002 nan 8.280 nan 0.000 0.497 127 L N 0.350 121.430 121.223 -0.239 0.000 2.265 127 L HA -0.159 4.181 4.340 -0.000 0.000 0.215 127 L C 2.261 178.978 176.870 -0.255 0.000 1.117 127 L CA 1.535 56.134 54.840 -0.402 0.000 0.782 127 L CB -0.661 41.166 42.059 -0.387 0.000 0.914 127 L HN 0.360 nan 8.230 nan 0.000 0.441 128 S N -0.947 114.681 115.700 -0.120 0.000 2.593 128 S HA 0.153 4.623 4.470 -0.000 0.000 0.217 128 S C 1.424 176.019 174.600 -0.008 0.000 0.966 128 S CA 0.259 58.415 58.200 -0.072 0.000 0.914 128 S CB 0.264 63.430 63.200 -0.058 0.000 0.776 128 S HN 0.495 nan 8.310 nan 0.000 0.523 129 G N 1.008 109.842 108.800 0.057 0.000 2.198 129 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 129 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 129 G C 0.280 175.213 174.900 0.054 0.000 1.042 129 G CA 0.474 45.634 45.100 0.100 0.000 0.791 129 G HN 0.584 nan 8.290 nan 0.000 0.502 130 E N -1.640 118.580 120.200 0.034 0.000 2.340 130 E HA 0.387 4.737 4.350 -0.000 0.000 0.198 130 E C 0.866 177.467 176.600 0.001 0.000 0.961 130 E CA 0.024 56.429 56.400 0.008 0.000 0.905 130 E CB 0.218 29.912 29.700 -0.010 0.000 0.884 130 E HN 0.493 nan 8.360 nan 0.000 0.491 131 L N 1.119 122.341 121.223 -0.001 0.000 2.370 131 L HA 0.388 4.728 4.340 -0.000 0.000 0.266 131 L C -1.292 175.564 176.870 -0.023 0.000 1.002 131 L CA -0.590 54.230 54.840 -0.033 0.000 0.818 131 L CB 1.953 43.949 42.059 -0.106 0.000 1.325 131 L HN -0.154 nan 8.230 nan 0.000 0.418 132 E N 3.318 123.494 120.200 -0.041 0.000 2.277 132 E HA 0.621 4.971 4.350 -0.000 0.000 0.274 132 E C -1.339 175.179 176.600 -0.136 0.000 1.022 132 E CA -0.843 55.521 56.400 -0.061 0.000 0.853 132 E CB 2.218 31.896 29.700 -0.037 0.000 1.086 132 E HN 0.408 nan 8.360 nan 0.000 0.397 133 V N 1.980 121.756 119.914 -0.229 0.000 2.610 133 V HA 0.129 4.249 4.120 -0.000 0.000 0.298 133 V C -0.727 175.251 176.094 -0.193 0.000 1.067 133 V CA -0.839 61.292 62.300 -0.281 0.000 0.894 133 V CB 1.620 33.070 31.823 -0.621 0.000 1.015 133 V HN 0.652 nan 8.190 nan 0.000 0.432 134 E N 4.923 125.060 120.200 -0.105 0.000 1.993 134 E HA 0.422 4.772 4.350 -0.000 0.000 0.271 134 E C -0.856 175.706 176.600 -0.062 0.000 1.008 134 E CA -0.389 55.971 56.400 -0.067 0.000 0.814 134 E CB 1.436 31.104 29.700 -0.054 0.000 1.098 134 E HN 0.543 nan 8.360 nan 0.000 0.407 135 L N 3.314 124.515 121.223 -0.037 0.000 2.315 135 L HA 0.185 4.525 4.340 -0.000 0.000 0.283 135 L C 0.097 176.915 176.870 -0.087 0.000 1.089 135 L CA 0.120 54.939 54.840 -0.035 0.000 0.833 135 L CB 0.513 42.610 42.059 0.064 0.000 1.170 135 L HN 0.367 nan 8.230 nan 0.000 0.442 136 T N 4.212 118.705 114.554 -0.103 0.000 2.792 136 T HA 0.364 4.714 4.350 -0.000 0.000 0.280 136 T C -2.468 172.152 174.700 -0.132 0.000 0.990 136 T CA -1.609 60.426 62.100 -0.109 0.000 0.960 136 T CB 1.771 70.593 68.868 -0.077 0.000 0.939 136 T HN 0.232 nan 8.240 nan 0.000 0.439 137 P HA 0.034 nan 4.420 nan 0.000 0.265 137 P C 0.790 177.987 177.300 -0.171 0.000 1.187 137 P CA 0.095 63.092 63.100 -0.171 0.000 0.766 137 P CB 0.633 32.240 31.700 -0.156 0.000 0.820 138 Q N 2.490 122.159 119.800 -0.219 0.000 2.084 138 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 138 Q C 2.070 177.747 176.000 -0.538 0.000 0.978 138 Q CA 2.154 57.816 55.803 -0.235 0.000 0.844 138 Q CB -0.719 27.945 28.738 -0.123 0.000 0.898 138 Q HN 0.699 nan 8.270 nan 0.000 0.426 139 G N -0.798 107.349 108.800 -1.088 0.000 2.408 139 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 139 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 139 G C 1.325 176.091 174.900 -0.224 0.000 1.150 139 G CA 1.131 45.654 45.100 -0.961 0.000 0.776 139 G HN 0.332 nan 8.290 nan 0.000 0.542 140 T N 1.168 115.657 114.554 -0.109 0.000 2.777 140 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 140 T C 2.246 177.007 174.700 0.101 0.000 1.040 140 T CA 1.056 63.199 62.100 0.071 0.000 1.141 140 T CB -0.232 68.656 68.868 0.034 0.000 0.868 140 T HN 0.107 nan 8.240 nan 0.000 0.444 141 L N 1.514 122.767 121.223 0.050 0.000 2.013 141 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 141 L C 2.604 179.618 176.870 0.239 0.000 1.073 141 L CA 2.043 56.953 54.840 0.117 0.000 0.753 141 L CB -1.076 41.026 42.059 0.072 0.000 0.890 141 L HN 0.245 nan 8.230 nan 0.000 0.432 142 A N -1.140 121.839 122.820 0.265 0.000 1.898 142 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 142 A C 2.271 179.870 177.584 0.026 0.000 1.181 142 A CA 1.682 53.800 52.037 0.135 0.000 0.620 142 A CB -0.633 18.284 19.000 -0.138 0.000 0.819 142 A HN 0.511 nan 8.150 nan 0.000 0.442 143 E N -0.060 120.143 120.200 0.005 0.000 2.158 143 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 143 E C 2.097 178.661 176.600 -0.060 0.000 0.982 143 E CA 0.979 57.302 56.400 -0.129 0.000 0.823 143 E CB -0.197 29.354 29.700 -0.248 0.000 0.766 143 E HN 0.574 nan 8.360 nan 0.000 0.468 144 R N -0.198 120.421 120.500 0.198 0.000 2.092 144 R HA 0.008 4.348 4.340 -0.000 0.000 0.231 144 R C 2.385 178.765 176.300 0.134 0.000 1.119 144 R CA 1.468 57.730 56.100 0.269 0.000 0.970 144 R CB -0.312 30.117 30.300 0.216 0.000 0.864 144 R HN 0.264 nan 8.270 nan 0.000 0.440 145 I N 0.273 120.904 120.570 0.102 0.000 2.179 145 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 145 I C 2.791 178.921 176.117 0.021 0.000 1.088 145 I CA 1.218 62.562 61.300 0.072 0.000 1.357 145 I CB -0.288 37.779 38.000 0.110 0.000 1.051 145 I HN 0.159 nan 8.210 nan 0.000 0.409 146 R N 1.287 121.774 120.500 -0.021 0.000 2.073 146 R HA -0.192 4.148 4.340 -0.000 0.000 0.234 146 R C 2.401 178.667 176.300 -0.057 0.000 1.134 146 R CA 1.673 57.732 56.100 -0.069 0.000 0.952 146 R CB -0.311 29.919 30.300 -0.118 0.000 0.850 146 R HN 0.353 nan 8.270 nan 0.000 0.433 147 A N 0.371 123.154 122.820 -0.061 0.000 1.917 147 A HA -0.147 4.172 4.320 -0.000 0.000 0.219 147 A C 2.368 179.975 177.584 0.038 0.000 1.182 147 A CA 1.989 54.021 52.037 -0.008 0.000 0.633 147 A CB -1.350 17.711 19.000 0.102 0.000 0.819 147 A HN 0.606 nan 8.150 nan 0.000 0.448 148 G N -0.899 107.931 108.800 0.050 0.000 2.422 148 G HA2 0.044 4.004 3.960 -0.000 0.000 0.218 148 G HA3 0.044 4.004 3.960 -0.000 0.000 0.218 148 G C 1.478 176.403 174.900 0.041 0.000 1.146 148 G CA 1.190 46.319 45.100 0.049 0.000 0.769 148 G HN 0.773 nan 8.290 nan 0.000 0.547 149 G N 0.444 109.261 108.800 0.027 0.000 2.471 149 G HA2 0.180 4.140 3.960 -0.000 0.000 0.219 149 G HA3 0.180 4.140 3.960 -0.000 0.000 0.219 149 G C 1.547 176.486 174.900 0.065 0.000 1.125 149 G CA 1.253 46.376 45.100 0.039 0.000 0.775 149 G HN 0.674 nan 8.290 nan 0.000 0.548 150 A N -0.714 122.129 122.820 0.038 0.000 2.390 150 A HA 0.524 4.844 4.320 -0.000 0.000 0.232 150 A C 1.791 179.398 177.584 0.038 0.000 1.233 150 A CA 1.077 53.137 52.037 0.038 0.000 0.907 150 A CB -0.114 18.888 19.000 0.002 0.000 0.967 150 A HN 1.469 nan 8.150 nan 0.000 0.512 151 G N -0.922 107.903 108.800 0.042 0.000 2.160 151 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.244 151 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.244 151 G C -0.005 174.919 174.900 0.039 0.000 1.022 151 G CA 0.238 45.362 45.100 0.040 0.000 0.741 151 G HN 0.827 nan 8.290 nan 0.000 0.508 152 V N 1.853 121.794 119.914 0.045 0.000 2.328 152 V HA 0.366 4.486 4.120 -0.000 0.000 0.278 152 V C -0.145 175.999 176.094 0.083 0.000 1.021 152 V CA -0.704 61.632 62.300 0.060 0.000 0.838 152 V CB 1.705 33.563 31.823 0.057 0.000 0.999 152 V HN 0.188 nan 8.190 nan 0.000 0.447 153 P HA 0.129 nan 4.420 nan 0.000 0.229 153 P C 0.178 177.510 177.300 0.053 0.000 1.160 153 P CA 0.757 63.889 63.100 0.054 0.000 0.777 153 P CB 0.741 32.459 31.700 0.029 0.000 0.814 154 A N -0.689 122.179 122.820 0.081 0.000 2.590 154 A HA 0.607 4.927 4.320 -0.000 0.000 0.294 154 A C -1.541 176.084 177.584 0.068 0.000 1.046 154 A CA -0.726 51.302 52.037 -0.015 0.000 0.684 154 A CB 0.255 19.172 19.000 -0.138 0.000 1.279 154 A HN 0.100 nan 8.150 nan 0.000 0.415 155 F N -1.429 118.440 119.950 -0.136 0.000 2.686 155 F HA 0.830 5.357 4.527 0.000 0.000 0.311 155 F C -1.514 174.168 175.800 -0.196 0.000 1.128 155 F CA -1.313 56.621 58.000 -0.110 0.000 0.946 155 F CB 0.783 39.757 39.000 -0.044 0.000 1.336 155 F HN 0.507 nan 8.300 nan 0.000 0.457 156 Y N 0.286 120.627 120.300 0.067 0.000 2.352 156 Y HA 0.618 5.168 4.550 -0.000 0.000 0.326 156 Y C 0.436 176.473 175.900 0.229 0.000 1.166 156 Y CA -0.333 57.798 58.100 0.053 0.000 1.182 156 Y CB 1.957 40.419 38.460 0.003 0.000 1.216 156 Y HN 0.852 nan 8.280 nan 0.000 0.474 157 T N 3.760 118.589 114.554 0.458 0.000 2.956 157 T HA 0.301 4.651 4.350 -0.000 0.000 0.312 157 T C -2.324 172.673 174.700 0.495 0.000 1.151 157 T CA -2.167 60.227 62.100 0.490 0.000 1.024 157 T CB 1.651 70.738 68.868 0.365 0.000 1.140 157 T HN 0.376 nan 8.240 nan 0.000 0.473 158 P HA 0.092 nan 4.420 nan 0.000 0.229 158 P C 0.444 177.786 177.300 0.070 0.000 1.160 158 P CA 0.327 63.404 63.100 -0.038 0.000 0.777 158 P CB -0.195 31.413 31.700 -0.152 0.000 0.814 159 T N 0.376 115.005 114.554 0.126 0.000 2.870 159 T HA 0.384 4.734 4.350 -0.000 0.000 0.300 159 T C 1.419 176.161 174.700 0.071 0.000 0.989 159 T CA 0.996 63.147 62.100 0.086 0.000 1.139 159 T CB 0.257 69.168 68.868 0.072 0.000 0.920 159 T HN 0.319 nan 8.240 nan 0.000 0.537 160 G N 2.313 111.136 108.800 0.039 0.000 2.195 160 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.246 160 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.246 160 G C 0.044 174.970 174.900 0.043 0.000 0.984 160 G CA -0.126 44.975 45.100 0.002 0.000 0.633 160 G HN 0.824 nan 8.290 nan 0.000 0.525 161 Y N 1.494 121.791 120.300 -0.005 0.000 2.717 161 Y HA 0.335 4.885 4.550 -0.000 0.000 0.330 161 Y C 1.504 177.400 175.900 -0.006 0.000 1.217 161 Y CA 1.270 59.369 58.100 -0.003 0.000 1.506 161 Y CB 0.602 39.055 38.460 -0.011 0.000 1.268 161 Y HN 1.507 nan 8.280 nan 0.000 0.561 162 G N 3.330 111.594 108.800 -0.894 0.000 2.143 162 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.248 162 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.248 162 G C 0.123 174.880 174.900 -0.238 0.000 0.991 162 G CA 0.628 45.332 45.100 -0.661 0.000 0.689 162 G HN 1.242 nan 8.290 nan 0.000 0.522 163 T N -3.309 111.163 114.554 -0.138 0.000 2.773 163 T HA 0.698 5.048 4.350 -0.000 0.000 0.278 163 T C 1.428 176.143 174.700 0.025 0.000 1.011 163 T CA -0.263 61.836 62.100 -0.002 0.000 1.014 163 T CB 1.220 70.096 68.868 0.014 0.000 1.293 163 T HN 0.271 nan 8.240 nan 0.000 0.554 164 L N 0.881 122.181 121.223 0.128 0.000 2.465 164 L HA 0.023 4.363 4.340 -0.000 0.000 0.224 164 L C 2.629 179.537 176.870 0.063 0.000 1.145 164 L CA 0.283 55.199 54.840 0.125 0.000 0.834 164 L CB -0.611 41.596 42.059 0.247 0.000 0.944 164 L HN 0.531 nan 8.230 nan 0.000 0.451 165 V N -0.181 119.735 119.914 0.004 0.000 2.295 165 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 165 V C 2.508 178.594 176.094 -0.013 0.000 1.049 165 V CA 2.012 64.290 62.300 -0.036 0.000 1.024 165 V CB -0.485 31.281 31.823 -0.095 0.000 0.648 165 V HN 0.556 nan 8.190 nan 0.000 0.447 166 Q N 0.097 119.892 119.800 -0.008 0.000 2.096 166 Q HA -0.178 4.162 4.340 -0.000 0.000 0.197 166 Q C 2.089 178.091 176.000 0.005 0.000 0.964 166 Q CA 1.692 57.502 55.803 0.012 0.000 0.838 166 Q CB 0.039 28.788 28.738 0.018 0.000 0.906 166 Q HN 0.746 nan 8.270 nan 0.000 0.444 167 E N -0.199 119.994 120.200 -0.011 0.000 2.216 167 E HA 0.125 4.475 4.350 -0.000 0.000 0.192 167 E C 0.697 177.301 176.600 0.007 0.000 0.988 167 E CA 0.434 56.829 56.400 -0.007 0.000 0.834 167 E CB 0.067 29.757 29.700 -0.017 0.000 0.772 167 E HN 0.524 nan 8.360 nan 0.000 0.479 168 G N -0.671 108.138 108.800 0.015 0.000 2.795 168 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.664 168 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.664 168 G C 0.613 175.531 174.900 0.030 0.000 1.381 168 G CA -0.480 44.631 45.100 0.018 0.000 0.853 168 G HN 0.717 nan 8.290 nan 0.000 0.545 169 G N -1.765 107.051 108.800 0.027 0.000 2.157 169 G HA2 0.074 4.034 3.960 -0.000 0.000 0.239 169 G HA3 0.074 4.034 3.960 -0.000 0.000 0.239 169 G C 0.822 175.755 174.900 0.055 0.000 0.982 169 G CA 1.438 46.556 45.100 0.030 0.000 0.650 169 G HN 2.281 nan 8.290 nan 0.000 0.527 170 S N 1.885 117.636 115.700 0.085 0.000 2.516 170 S HA 0.477 4.947 4.470 -0.000 0.000 0.282 170 S C -1.850 172.796 174.600 0.076 0.000 1.286 170 S CA -0.603 57.684 58.200 0.145 0.000 1.066 170 S CB 0.653 63.960 63.200 0.178 0.000 0.884 170 S HN 0.212 nan 8.310 nan 0.000 0.491 171 P HA 0.152 nan 4.420 nan 0.000 0.267 171 P C 0.179 177.482 177.300 0.005 0.000 1.209 171 P CA 0.178 63.226 63.100 -0.087 0.000 0.763 171 P CB 0.370 31.906 31.700 -0.273 0.000 0.816 172 I N 2.013 122.544 120.570 -0.065 0.000 3.616 172 I HA 0.134 4.304 4.170 -0.000 0.000 0.296 172 I C 1.028 177.129 176.117 -0.025 0.000 1.226 172 I CA 0.578 61.851 61.300 -0.045 0.000 1.394 172 I CB 0.297 38.269 38.000 -0.047 0.000 1.171 172 I HN 0.269 nan 8.210 nan 0.000 0.442 173 K N 0.279 120.629 120.400 -0.084 0.000 2.550 173 K HA 0.337 4.657 4.320 -0.000 0.000 0.252 173 K C -1.760 174.751 176.600 -0.149 0.000 0.943 173 K CA -0.555 55.711 56.287 -0.034 0.000 0.806 173 K CB 1.772 34.268 32.500 -0.007 0.000 1.289 173 K HN -0.240 nan 8.250 nan 0.000 0.435 174 Y N 1.488 121.820 120.300 0.053 0.000 2.335 174 Y HA 0.280 4.830 4.550 -0.001 0.000 0.323 174 Y C 0.599 176.489 175.900 -0.018 0.000 1.224 174 Y CA -0.158 57.930 58.100 -0.020 0.000 1.241 174 Y CB 1.146 39.547 38.460 -0.098 0.000 1.235 174 Y HN 0.599 nan 8.280 nan 0.000 0.492 175 N N 0.493 119.287 118.700 0.157 0.000 2.463 175 N HA 0.463 5.203 4.740 -0.000 0.000 0.270 175 N C -0.029 175.514 175.510 0.054 0.000 1.205 175 N CA -0.567 52.529 53.050 0.077 0.000 0.974 175 N CB 0.488 39.005 38.487 0.049 0.000 1.197 175 N HN 0.679 nan 8.380 nan 0.000 0.504 179 S N -0.616 115.121 115.700 0.062 0.000 2.641 179 S HA 0.630 5.100 4.470 -0.000 0.000 0.261 179 S C -0.083 174.665 174.600 0.245 0.000 1.257 179 S CA -0.305 57.966 58.200 0.119 0.000 0.983 179 S CB 1.490 64.724 63.200 0.058 0.000 0.990 179 S HN 0.934 nan 8.310 nan 0.000 0.572 180 V N 1.465 121.460 119.914 0.136 0.000 2.370 180 V HA 0.579 4.699 4.120 -0.000 0.000 0.279 180 V C 1.038 177.126 176.094 -0.010 0.000 1.029 180 V CA -0.074 62.231 62.300 0.008 0.000 0.870 180 V CB 0.583 32.366 31.823 -0.067 0.000 0.984 180 V HN 1.109 nan 8.190 nan 0.000 0.451 181 A N 5.646 128.450 122.820 -0.026 0.000 1.984 181 A HA 0.423 4.743 4.320 -0.000 0.000 0.214 181 A C 0.708 178.274 177.584 -0.029 0.000 1.173 181 A CA 0.822 52.850 52.037 -0.014 0.000 0.673 181 A CB 0.122 19.123 19.000 0.002 0.000 0.830 181 A HN 0.646 nan 8.150 nan 0.000 0.453 182 I N -0.350 120.186 120.570 -0.056 0.000 2.548 182 I HA 0.515 4.684 4.170 -0.000 0.000 0.287 182 I C -0.259 175.819 176.117 -0.065 0.000 1.103 182 I CA -0.563 60.709 61.300 -0.047 0.000 1.049 182 I CB 2.033 40.012 38.000 -0.036 0.000 1.232 182 I HN 0.161 nan 8.210 nan 0.000 0.429 183 A N 4.131 126.925 122.820 -0.043 0.000 2.294 183 A HA 0.774 5.094 4.320 -0.000 0.000 0.330 183 A C 0.177 177.752 177.584 -0.016 0.000 1.133 183 A CA -0.507 51.511 52.037 -0.032 0.000 0.836 183 A CB 1.225 20.214 19.000 -0.019 0.000 1.190 183 A HN 0.748 nan 8.150 nan 0.000 0.492 184 S N 0.862 116.560 115.700 -0.003 0.000 2.579 184 S HA 0.369 4.839 4.470 -0.000 0.000 0.275 184 S C -0.170 174.430 174.600 -0.000 0.000 1.345 184 S CA -0.171 58.029 58.200 -0.001 0.000 1.031 184 S CB 0.194 63.401 63.200 0.011 0.000 0.892 184 S HN 0.577 nan 8.310 nan 0.000 0.529 185 K N 1.895 122.291 120.400 -0.005 0.000 2.095 185 K HA 0.537 4.857 4.320 -0.000 0.000 0.252 185 K C -2.657 173.941 176.600 -0.003 0.000 0.977 185 K CA -2.090 54.194 56.287 -0.004 0.000 0.900 185 K CB 0.104 32.599 32.500 -0.008 0.000 1.060 185 K HN 0.401 nan 8.250 nan 0.000 0.449 186 P HA 0.051 nan 4.420 nan 0.000 0.270 186 P C -0.879 176.423 177.300 0.003 0.000 1.223 186 P CA -0.193 62.911 63.100 0.006 0.000 0.785 186 P CB 0.550 32.257 31.700 0.012 0.000 0.923 187 R N 1.402 121.909 120.500 0.012 0.000 2.407 187 R HA 0.266 4.606 4.340 -0.000 0.000 0.303 187 R C 0.226 176.556 176.300 0.050 0.000 0.981 187 R CA -0.919 55.188 56.100 0.012 0.000 0.905 187 R CB 0.343 30.648 30.300 0.008 0.000 1.099 187 R HN 0.574 nan 8.270 nan 0.000 0.459 188 E N 1.788 122.016 120.200 0.047 0.000 2.465 188 E HA 0.077 4.427 4.350 -0.000 0.000 0.260 188 E C -0.808 175.910 176.600 0.196 0.000 0.980 188 E CA -0.117 56.343 56.400 0.102 0.000 0.927 188 E CB 0.692 30.444 29.700 0.087 0.000 0.934 188 E HN 0.174 nan 8.360 nan 0.000 0.459 189 V N 5.071 125.111 119.914 0.210 0.000 2.630 189 V HA 0.574 4.694 4.120 -0.000 0.000 0.305 189 V C 0.075 176.302 176.094 0.223 0.000 1.046 189 V CA -0.579 61.877 62.300 0.259 0.000 0.934 189 V CB 1.595 33.550 31.823 0.220 0.000 1.003 189 V HN 0.780 nan 8.190 nan 0.000 0.451 190 R N 2.189 122.809 120.500 0.200 0.000 2.604 190 R HA 0.355 4.694 4.340 -0.000 0.000 0.270 190 R C -1.243 174.993 176.300 -0.107 0.000 1.052 190 R CA -0.569 55.496 56.100 -0.058 0.000 0.902 190 R CB 1.897 32.001 30.300 -0.326 0.000 1.233 190 R HN 0.796 nan 8.270 nan 0.000 0.455 191 E N 4.473 124.500 120.200 -0.288 0.000 2.227 191 E HA 0.237 4.587 4.350 -0.000 0.000 0.282 191 E C -1.521 174.787 176.600 -0.486 0.000 1.015 191 E CA -0.137 56.076 56.400 -0.312 0.000 0.823 191 E CB 0.729 30.214 29.700 -0.359 0.000 1.081 191 E HN 0.396 nan 8.360 nan 0.000 0.396 192 F N 1.247 121.194 119.950 -0.006 0.000 2.539 192 F HA 0.241 4.768 4.527 0.000 0.000 0.318 192 F C 1.108 176.917 175.800 0.014 0.000 1.135 192 F CA 0.208 58.158 58.000 -0.082 0.000 0.915 192 F CB 1.356 40.168 39.000 -0.314 0.000 1.176 192 F HN 0.712 nan 8.300 nan 0.000 0.440 193 N N 0.992 119.761 118.700 0.115 0.000 2.735 193 N HA 0.018 4.758 4.740 -0.000 0.000 0.248 193 N C 1.208 176.737 175.510 0.031 0.000 1.083 193 N CA 1.230 54.321 53.050 0.068 0.000 0.703 193 N CB -2.018 36.522 38.487 0.089 0.000 1.005 193 N HN 2.154 nan 8.380 nan 0.000 0.550 194 G N -2.430 106.348 108.800 -0.035 0.000 2.153 194 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.252 194 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.252 194 G C -0.186 174.623 174.900 -0.152 0.000 0.994 194 G CA 1.423 46.463 45.100 -0.100 0.000 0.698 194 G HN 1.751 nan 8.290 nan 0.000 0.521 195 Q N -0.764 118.963 119.800 -0.122 0.000 2.394 195 Q HA 0.626 4.966 4.340 -0.000 0.000 0.273 195 Q C -0.802 174.970 176.000 -0.380 0.000 1.089 195 Q CA -0.905 54.746 55.803 -0.252 0.000 0.812 195 Q CB 1.365 29.990 28.738 -0.188 0.000 1.353 195 Q HN 0.544 nan 8.270 nan 0.000 0.438 196 H N 1.555 120.309 119.070 -0.527 0.000 2.467 196 H HA 0.458 5.014 4.556 0.000 0.000 0.326 196 H C -1.210 173.721 175.328 -0.662 0.000 1.094 196 H CA 0.006 55.701 56.048 -0.589 0.000 1.253 196 H CB 0.800 29.826 29.762 -1.226 0.000 1.439 196 H HN 0.364 nan 8.280 nan 0.000 0.479 197 F N 2.285 122.264 119.950 0.047 0.000 2.593 197 F HA 0.444 4.971 4.527 -0.000 0.000 0.320 197 F C -0.058 175.942 175.800 0.332 0.000 1.060 197 F CA -1.199 56.928 58.000 0.211 0.000 0.940 197 F CB 1.582 40.764 39.000 0.303 0.000 1.268 197 F HN 0.362 nan 8.300 nan 0.000 0.475 198 I N 0.627 121.496 120.570 0.499 0.000 2.693 198 I HA 0.662 4.832 4.170 -0.000 0.000 0.303 198 I C -1.580 174.614 176.117 0.128 0.000 1.025 198 I CA -1.199 60.302 61.300 0.335 0.000 1.086 198 I CB 2.052 40.170 38.000 0.197 0.000 1.268 198 I HN 0.433 nan 8.210 nan 0.000 0.440 199 L N 4.421 125.570 121.223 -0.124 0.000 2.305 199 L HA 0.479 4.819 4.340 -0.000 0.000 0.281 199 L C -0.355 176.260 176.870 -0.425 0.000 1.085 199 L CA 0.604 55.097 54.840 -0.578 0.000 0.813 199 L CB 0.495 42.196 42.059 -0.596 0.000 1.157 199 L HN 0.606 nan 8.230 nan 0.000 0.436 200 E N 4.129 123.940 120.200 -0.648 0.000 2.266 200 E HA 0.378 4.728 4.350 -0.000 0.000 0.268 200 E C -1.071 175.199 176.600 -0.550 0.000 0.879 200 E CA -0.599 55.458 56.400 -0.572 0.000 0.762 200 E CB 1.920 31.209 29.700 -0.684 0.000 1.199 200 E HN 0.592 nan 8.360 nan 0.000 0.422 201 E N 0.617 120.664 120.200 -0.255 0.000 2.248 201 E HA 0.524 4.874 4.350 -0.000 0.000 0.272 201 E C -0.408 176.197 176.600 0.008 0.000 1.008 201 E CA -0.821 55.511 56.400 -0.113 0.000 0.856 201 E CB 1.537 31.193 29.700 -0.073 0.000 1.120 201 E HN 0.523 nan 8.360 nan 0.000 0.397 202 A N 2.593 125.455 122.820 0.069 0.000 2.531 202 A HA 0.126 4.446 4.320 -0.000 0.000 0.236 202 A C -0.114 177.508 177.584 0.063 0.000 1.062 202 A CA 0.315 52.414 52.037 0.104 0.000 0.760 202 A CB -0.078 18.974 19.000 0.087 0.000 0.995 202 A HN 0.529 nan 8.150 nan 0.000 0.501 203 I N 1.827 122.439 120.570 0.071 0.000 2.378 203 I HA 0.438 4.608 4.170 -0.000 0.000 0.291 203 I C 0.479 176.625 176.117 0.047 0.000 0.992 203 I CA -0.062 61.268 61.300 0.050 0.000 1.154 203 I CB 2.139 40.169 38.000 0.051 0.000 1.315 203 I HN 0.829 nan 8.210 nan 0.000 0.448 204 T N 1.800 116.376 114.554 0.038 0.000 2.906 204 T HA 0.833 5.183 4.350 -0.000 0.000 0.295 204 T C -0.295 174.425 174.700 0.034 0.000 1.075 204 T CA -0.850 61.271 62.100 0.036 0.000 1.005 204 T CB 2.026 70.912 68.868 0.030 0.000 1.136 204 T HN 0.667 nan 8.240 nan 0.000 0.498 205 G N -0.108 108.714 108.800 0.037 0.000 2.600 205 G HA2 0.510 4.470 3.960 -0.000 0.000 0.303 205 G HA3 0.510 4.470 3.960 -0.000 0.000 0.303 205 G C -0.032 174.882 174.900 0.023 0.000 1.253 205 G CA -0.782 44.346 45.100 0.047 0.000 0.974 205 G HN 0.676 nan 8.290 nan 0.000 0.483 206 D N -0.608 119.822 120.400 0.050 0.000 2.103 206 D HA 0.013 4.653 4.640 -0.000 0.000 0.199 206 D C -0.045 176.107 176.300 -0.245 0.000 0.978 206 D CA 1.435 55.418 54.000 -0.029 0.000 0.829 206 D CB 0.119 41.029 40.800 0.183 0.000 0.981 206 D HN 0.181 nan 8.370 nan 0.000 0.464 207 F N -0.511 119.458 119.950 0.031 0.000 2.603 207 F HA 0.576 5.103 4.527 -0.000 0.000 0.317 207 F C -0.202 175.623 175.800 0.041 0.000 1.066 207 F CA -1.235 56.789 58.000 0.039 0.000 0.941 207 F CB 1.947 40.959 39.000 0.020 0.000 1.291 207 F HN -0.267 nan 8.300 nan 0.000 0.472 208 A N 2.441 125.396 122.820 0.225 0.000 2.371 208 A HA 0.856 5.176 4.320 -0.000 0.000 0.311 208 A C -1.595 176.079 177.584 0.148 0.000 1.068 208 A CA -0.628 51.500 52.037 0.151 0.000 0.744 208 A CB 1.017 20.081 19.000 0.107 0.000 1.239 208 A HN 0.734 nan 8.150 nan 0.000 0.435 209 L N 2.998 124.286 121.223 0.109 0.000 2.294 209 L HA 0.584 4.924 4.340 -0.000 0.000 0.283 209 L C -0.933 175.992 176.870 0.091 0.000 1.015 209 L CA -0.766 54.127 54.840 0.088 0.000 0.831 209 L CB 1.384 43.474 42.059 0.051 0.000 1.217 209 L HN 0.410 nan 8.230 nan 0.000 0.420 210 V N 2.906 122.885 119.914 0.108 0.000 2.540 210 V HA 0.393 4.513 4.120 -0.000 0.000 0.302 210 V C -0.214 175.971 176.094 0.151 0.000 1.035 210 V CA -0.806 61.579 62.300 0.142 0.000 0.873 210 V CB 2.464 34.384 31.823 0.161 0.000 0.992 210 V HN 0.581 nan 8.190 nan 0.000 0.428 211 K N 3.764 124.267 120.400 0.172 0.000 2.183 211 K HA 0.829 5.149 4.320 -0.000 0.000 0.274 211 K C -0.459 176.277 176.600 0.226 0.000 1.009 211 K CA 0.099 56.480 56.287 0.157 0.000 0.888 211 K CB 1.392 33.960 32.500 0.114 0.000 1.078 211 K HN 0.889 nan 8.250 nan 0.000 0.459 212 A N 3.301 126.186 122.820 0.108 0.000 2.486 212 A HA 0.483 4.803 4.320 -0.000 0.000 0.289 212 A C -0.546 177.060 177.584 0.036 0.000 1.176 212 A CA -0.784 51.235 52.037 -0.029 0.000 0.757 212 A CB 0.258 18.997 19.000 -0.434 0.000 1.337 212 A HN 0.955 nan 8.150 nan 0.000 0.423 213 W N 0.657 121.835 121.300 -0.204 0.000 2.539 213 W HA 0.316 4.976 4.660 -0.000 0.000 0.299 213 W C 0.036 176.508 176.519 -0.078 0.000 1.165 213 W CA 1.052 58.321 57.345 -0.127 0.000 1.400 213 W CB 0.100 29.500 29.460 -0.099 0.000 1.123 213 W HN 0.542 nan 8.180 nan 0.000 0.533 214 K N -0.523 119.782 120.400 -0.158 0.000 2.508 214 K HA 0.626 4.946 4.320 -0.000 0.000 0.260 214 K C -1.288 175.313 176.600 0.001 0.000 0.949 214 K CA -0.673 55.508 56.287 -0.176 0.000 0.834 214 K CB 2.240 34.533 32.500 -0.344 0.000 1.365 214 K HN -0.176 nan 8.250 nan 0.000 0.437 215 A N 1.241 124.129 122.820 0.113 0.000 2.469 215 A HA 0.577 4.897 4.320 -0.000 0.000 0.299 215 A C -1.372 176.310 177.584 0.163 0.000 1.098 215 A CA -0.702 51.453 52.037 0.196 0.000 0.737 215 A CB 1.176 20.247 19.000 0.118 0.000 1.312 215 A HN 0.814 nan 8.150 nan 0.000 0.414 216 D N -0.422 120.057 120.400 0.132 0.000 2.437 216 D HA 0.324 4.964 4.640 -0.000 0.000 0.259 216 D C 0.512 176.871 176.300 0.098 0.000 1.118 216 D CA -0.658 53.288 54.000 -0.091 0.000 1.017 216 D CB 0.579 41.158 40.800 -0.369 0.000 1.120 216 D HN 0.392 nan 8.370 nan 0.000 0.541 217 R N -0.512 119.985 120.500 -0.005 0.000 2.339 217 R HA 0.145 4.485 4.340 -0.000 0.000 0.199 217 R C 1.230 177.623 176.300 0.154 0.000 1.018 217 R CA 0.677 56.763 56.100 -0.024 0.000 1.036 217 R CB -0.155 30.017 30.300 -0.213 0.000 0.899 217 R HN 0.543 nan 8.270 nan 0.000 0.473 218 A N -0.056 122.858 122.820 0.156 0.000 2.147 218 A HA 0.244 4.564 4.320 -0.000 0.000 0.211 218 A C 1.460 179.165 177.584 0.202 0.000 1.160 218 A CA 0.819 52.957 52.037 0.168 0.000 0.781 218 A CB 0.277 19.324 19.000 0.077 0.000 0.842 218 A HN 0.374 nan 8.150 nan 0.000 0.475 219 G N -0.613 108.320 108.800 0.222 0.000 2.163 219 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.213 219 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.213 219 G C -0.211 174.736 174.900 0.077 0.000 0.991 219 G CA -0.063 45.084 45.100 0.080 0.000 0.653 219 G HN 0.428 nan 8.290 nan 0.000 0.518 220 N N -0.002 118.781 118.700 0.139 0.000 2.518 220 N HA 0.433 5.173 4.740 -0.000 0.000 0.266 220 N C -0.213 175.398 175.510 0.168 0.000 1.196 220 N CA 0.327 53.474 53.050 0.162 0.000 0.947 220 N CB 2.073 40.708 38.487 0.247 0.000 1.098 220 N HN 0.139 nan 8.380 nan 0.000 0.450 221 V N 2.811 122.702 119.914 -0.039 0.000 2.709 221 V HA 0.528 4.648 4.120 -0.000 0.000 0.308 221 V C 0.090 175.851 176.094 -0.556 0.000 1.062 221 V CA -0.836 61.317 62.300 -0.245 0.000 0.901 221 V CB 2.003 33.680 31.823 -0.243 0.000 1.003 221 V HN 0.538 nan 8.190 nan 0.000 0.425 222 I N 0.721 120.858 120.570 -0.722 0.000 2.740 222 I HA 0.783 4.953 4.170 -0.000 0.000 0.303 222 I C -1.458 174.430 176.117 -0.382 0.000 1.044 222 I CA -0.618 60.272 61.300 -0.684 0.000 1.064 222 I CB 2.318 39.737 38.000 -0.968 0.000 1.249 222 I HN 0.388 nan 8.210 nan 0.000 0.433 223 F N 1.788 121.968 119.950 0.384 0.000 2.579 223 F HA 0.648 5.175 4.527 -0.000 0.000 0.324 223 F C 0.080 175.990 175.800 0.182 0.000 1.058 223 F CA -0.736 57.412 58.000 0.247 0.000 0.944 223 F CB 1.759 40.820 39.000 0.101 0.000 1.245 223 F HN 0.459 nan 8.300 nan 0.000 0.477 224 R N 2.422 122.965 120.500 0.073 0.000 2.343 224 R HA 0.424 4.763 4.340 -0.000 0.000 0.320 224 R C -0.191 175.791 176.300 -0.531 0.000 0.956 224 R CA -0.306 55.539 56.100 -0.426 0.000 0.836 224 R CB 0.687 30.386 30.300 -1.001 0.000 1.151 224 R HN 0.807 nan 8.270 nan 0.000 0.450 225 K N 0.651 120.560 120.400 -0.818 0.000 2.020 225 K HA -0.300 4.020 4.320 -0.000 0.000 0.142 225 K C 0.671 176.572 176.600 -1.165 0.000 1.458 225 K CA 1.786 57.096 56.287 -1.628 0.000 0.544 225 K CB -1.384 30.464 32.500 -1.087 0.000 0.566 225 K HN 0.755 nan 8.250 nan 0.000 0.927 226 S N 0.364 115.616 115.700 -0.746 0.000 2.650 226 S HA 0.218 4.688 4.470 -0.000 0.000 0.219 226 S C 1.409 175.843 174.600 -0.276 0.000 0.960 226 S CA 0.514 58.492 58.200 -0.370 0.000 0.925 226 S CB 0.325 63.396 63.200 -0.216 0.000 0.775 226 S HN 0.604 nan 8.310 nan 0.000 0.525 227 A N 1.445 124.113 122.820 -0.253 0.000 2.238 227 A HA 0.223 4.543 4.320 -0.000 0.000 0.208 227 A C 2.115 179.644 177.584 -0.092 0.000 1.177 227 A CA 0.276 52.242 52.037 -0.119 0.000 0.804 227 A CB -0.506 18.438 19.000 -0.094 0.000 0.823 227 A HN 0.565 nan 8.150 nan 0.000 0.482 228 R N 0.806 121.177 120.500 -0.215 0.000 2.057 228 R HA -0.185 4.155 4.340 -0.000 0.000 0.229 228 R C 1.738 177.785 176.300 -0.421 0.000 1.136 228 R CA 1.680 57.494 56.100 -0.476 0.000 0.952 228 R CB -0.456 29.557 30.300 -0.479 0.000 0.848 228 R HN 0.709 nan 8.270 nan 0.000 0.430 229 N N -0.448 118.082 118.700 -0.284 0.000 1.060 229 N HA -0.353 4.387 4.740 -0.000 0.000 0.145 229 N C 0.902 176.283 175.510 -0.216 0.000 0.398 229 N CA 2.698 55.638 53.050 -0.183 0.000 0.963 229 N CB -1.478 37.038 38.487 0.049 0.000 1.550 229 N HN 0.229 nan 8.380 nan 0.000 0.474 230 F N 0.162 120.087 119.950 -0.041 0.000 2.743 230 F HA 0.266 4.793 4.527 -0.000 0.000 0.297 230 F C 2.085 177.830 175.800 -0.093 0.000 1.131 230 F CA 0.022 58.000 58.000 -0.037 0.000 1.426 230 F CB -0.242 38.772 39.000 0.024 0.000 1.116 230 F HN 0.251 nan 8.300 nan 0.000 0.583 231 N N 0.660 119.351 118.700 -0.015 0.000 2.104 231 N HA -0.193 4.547 4.740 -0.000 0.000 0.190 231 N C 2.102 177.519 175.510 -0.154 0.000 1.024 231 N CA 1.194 54.212 53.050 -0.054 0.000 0.853 231 N CB -0.450 38.014 38.487 -0.037 0.000 1.008 231 N HN 0.355 nan 8.380 nan 0.000 0.424 232 L N 1.982 122.940 121.223 -0.441 0.000 1.988 232 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 232 L C -0.823 175.944 176.870 -0.172 0.000 1.071 232 L CA 1.447 56.091 54.840 -0.326 0.000 0.744 232 L CB -1.224 40.563 42.059 -0.453 0.000 0.893 232 L HN 0.076 nan 8.230 nan 0.000 0.433 233 P HA -0.167 nan 4.420 nan 0.000 0.220 233 P C 1.706 178.959 177.300 -0.079 0.000 1.148 233 P CA 1.644 64.664 63.100 -0.133 0.000 0.803 233 P CB -0.083 31.549 31.700 -0.114 0.000 0.782 234 M N -1.180 118.411 119.600 -0.014 0.000 2.319 234 M HA -0.087 4.393 4.480 -0.000 0.000 0.265 234 M C 2.101 178.404 176.300 0.005 0.000 1.068 234 M CA 1.169 56.486 55.300 0.029 0.000 1.118 234 M CB -0.795 31.854 32.600 0.082 0.000 1.395 234 M HN -0.034 nan 8.290 nan 0.000 0.435 235 C N 0.907 120.194 119.300 -0.021 0.000 2.403 235 C HA -0.159 4.301 4.460 -0.000 0.000 0.282 235 C C 2.337 177.252 174.990 -0.124 0.000 1.297 235 C CA 1.093 60.086 59.018 -0.041 0.000 1.785 235 C CB -1.084 26.637 27.740 -0.032 0.000 1.963 235 C HN 0.493 nan 8.230 nan 0.000 0.507 236 K N 0.370 120.620 120.400 -0.251 0.000 2.361 236 K HA 0.209 4.529 4.320 -0.000 0.000 0.194 236 K C 1.601 178.191 176.600 -0.017 0.000 1.032 236 K CA 0.804 56.909 56.287 -0.303 0.000 1.048 236 K CB 0.076 32.218 32.500 -0.597 0.000 0.842 236 K HN 0.390 nan 8.250 nan 0.000 0.526 237 A N 0.919 123.738 122.820 -0.002 0.000 2.390 237 A HA 0.462 4.782 4.320 -0.000 0.000 0.232 237 A C 0.531 178.144 177.584 0.048 0.000 1.233 237 A CA -0.180 51.876 52.037 0.031 0.000 0.907 237 A CB 0.361 19.375 19.000 0.024 0.000 0.967 237 A HN 0.191 nan 8.150 nan 0.000 0.512 238 A N -1.099 121.759 122.820 0.063 0.000 2.354 238 A HA 0.553 4.873 4.320 -0.000 0.000 0.321 238 A C 0.681 178.292 177.584 0.044 0.000 1.125 238 A CA 0.347 52.412 52.037 0.047 0.000 0.799 238 A CB 0.939 19.974 19.000 0.057 0.000 1.293 238 A HN 0.119 nan 8.150 nan 0.000 0.452 239 E N 0.435 120.600 120.200 -0.057 0.000 2.072 239 E HA -0.017 4.333 4.350 -0.000 0.000 0.191 239 E C 0.371 176.856 176.600 -0.192 0.000 0.985 239 E CA 1.878 58.203 56.400 -0.126 0.000 0.801 239 E CB -0.090 29.497 29.700 -0.189 0.000 0.750 239 E HN 0.758 nan 8.360 nan 0.000 0.452 240 T N 0.774 115.155 114.554 -0.287 0.000 2.809 240 T HA 0.431 4.781 4.350 -0.000 0.000 0.284 240 T C -0.835 173.945 174.700 0.134 0.000 0.992 240 T CA -0.358 61.672 62.100 -0.116 0.000 0.957 240 T CB 1.655 70.279 68.868 -0.406 0.000 0.942 240 T HN 0.082 nan 8.240 nan 0.000 0.439 241 T N 3.337 118.114 114.554 0.371 0.000 2.749 241 T HA 0.504 4.854 4.350 -0.000 0.000 0.287 241 T C -0.201 174.579 174.700 0.132 0.000 0.970 241 T CA -0.424 61.771 62.100 0.160 0.000 0.980 241 T CB 0.696 69.557 68.868 -0.011 0.000 0.924 241 T HN 0.322 nan 8.240 nan 0.000 0.456 242 V N 4.936 124.930 119.914 0.133 0.000 2.378 242 V HA 0.450 4.570 4.120 -0.000 0.000 0.288 242 V C -0.136 176.004 176.094 0.076 0.000 1.016 242 V CA -0.767 61.591 62.300 0.098 0.000 0.840 242 V CB 1.549 33.427 31.823 0.092 0.000 0.994 242 V HN 0.656 nan 8.190 nan 0.000 0.431 243 V N 5.255 125.203 119.914 0.056 0.000 2.459 243 V HA 0.491 4.611 4.120 -0.000 0.000 0.295 243 V C 0.011 176.152 176.094 0.077 0.000 1.029 243 V CA -0.671 61.667 62.300 0.064 0.000 0.874 243 V CB 1.896 33.738 31.823 0.032 0.000 0.985 243 V HN 1.039 nan 8.190 nan 0.000 0.438 244 E N 4.291 124.557 120.200 0.111 0.000 2.179 244 E HA 0.740 5.090 4.350 -0.000 0.000 0.275 244 E C -0.854 175.840 176.600 0.158 0.000 0.945 244 E CA -0.757 55.739 56.400 0.159 0.000 0.792 244 E CB 2.257 32.088 29.700 0.219 0.000 1.125 244 E HN 0.487 nan 8.360 nan 0.000 0.397 245 V N -0.088 119.928 119.914 0.171 0.000 3.046 245 V HA 0.357 4.476 4.120 -0.000 0.000 0.316 245 V C 0.534 176.748 176.094 0.201 0.000 1.104 245 V CA -0.778 61.596 62.300 0.123 0.000 1.006 245 V CB 1.704 33.571 31.823 0.074 0.000 1.058 245 V HN 0.844 nan 8.190 nan 0.000 0.440 246 E N 0.099 120.380 120.200 0.135 0.000 2.170 246 E HA 0.114 4.464 4.350 -0.000 0.000 0.191 246 E C 0.241 176.936 176.600 0.158 0.000 0.981 246 E CA 0.980 57.505 56.400 0.208 0.000 0.830 246 E CB 0.308 30.112 29.700 0.172 0.000 0.775 246 E HN 0.676 nan 8.360 nan 0.000 0.470 247 E N -0.183 120.059 120.200 0.070 0.000 2.331 247 E HA 0.419 4.769 4.350 -0.000 0.000 0.275 247 E C -1.547 175.057 176.600 0.008 0.000 0.895 247 E CA -0.578 55.837 56.400 0.026 0.000 0.753 247 E CB 2.073 31.756 29.700 -0.028 0.000 1.216 247 E HN 0.109 nan 8.360 nan 0.000 0.434 248 I N 2.519 123.100 120.570 0.017 0.000 2.377 248 I HA 0.585 4.755 4.170 -0.000 0.000 0.293 248 I C 0.213 176.292 176.117 -0.063 0.000 0.987 248 I CA -0.635 60.671 61.300 0.010 0.000 1.185 248 I CB 1.586 39.618 38.000 0.054 0.000 1.341 248 I HN 0.453 nan 8.210 nan 0.000 0.455 249 V N 1.539 121.380 119.914 -0.122 0.000 3.126 249 V HA 0.592 4.712 4.120 -0.000 0.000 0.314 249 V C -0.523 175.433 176.094 -0.231 0.000 1.138 249 V CA -1.008 61.172 62.300 -0.199 0.000 1.034 249 V CB 1.732 33.376 31.823 -0.297 0.000 1.075 249 V HN 0.455 nan 8.190 nan 0.000 0.442 250 D N 1.123 121.387 120.400 -0.227 0.000 2.423 250 D HA 0.317 4.957 4.640 -0.000 0.000 0.238 250 D C 0.365 176.509 176.300 -0.261 0.000 1.142 250 D CA 0.315 54.193 54.000 -0.205 0.000 0.884 250 D CB 0.584 41.285 40.800 -0.164 0.000 1.199 250 D HN 0.593 nan 8.370 nan 0.000 0.438 251 I N 1.135 121.589 120.570 -0.193 0.000 2.741 251 I HA 0.129 4.299 4.170 -0.000 0.000 0.288 251 I C 1.663 177.677 176.117 -0.171 0.000 1.192 251 I CA 0.698 61.894 61.300 -0.173 0.000 1.426 251 I CB 0.098 38.039 38.000 -0.097 0.000 1.367 251 I HN 0.688 nan 8.210 nan 0.000 0.563 252 G N 4.160 112.845 108.800 -0.192 0.000 2.253 252 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.209 252 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.209 252 G C 1.017 175.806 174.900 -0.184 0.000 0.997 252 G CA 0.215 45.229 45.100 -0.144 0.000 0.640 252 G HN 0.770 nan 8.290 nan 0.000 0.496 253 A N -0.283 122.325 122.820 -0.354 0.000 1.972 253 A HA 0.486 4.806 4.320 -0.000 0.000 0.219 253 A C 0.756 178.224 177.584 -0.195 0.000 1.169 253 A CA 1.304 53.117 52.037 -0.373 0.000 0.635 253 A CB -0.320 18.316 19.000 -0.606 0.000 0.810 253 A HN 0.659 nan 8.150 nan 0.000 0.446 254 F N -0.666 119.236 119.950 -0.080 0.000 2.450 254 F HA 0.645 5.172 4.527 -0.000 0.000 0.332 254 F C 0.686 176.457 175.800 -0.049 0.000 1.093 254 F CA -1.770 56.182 58.000 -0.081 0.000 1.003 254 F CB 0.880 39.816 39.000 -0.107 0.000 1.151 254 F HN 0.129 nan 8.300 nan 0.000 0.474 255 A N 4.953 127.874 122.820 0.170 0.000 2.520 255 A HA 0.288 4.608 4.320 -0.000 0.000 0.245 255 A C -1.377 176.264 177.584 0.096 0.000 1.072 255 A CA -0.943 51.151 52.037 0.096 0.000 0.761 255 A CB -0.298 18.746 19.000 0.074 0.000 1.004 255 A HN 0.594 nan 8.150 nan 0.000 0.499 256 P HA -0.177 nan 4.420 nan 0.000 0.218 256 P C 0.607 177.943 177.300 0.060 0.000 1.146 256 P CA 1.413 64.553 63.100 0.067 0.000 0.813 256 P CB 0.219 31.947 31.700 0.047 0.000 0.778 257 E N -0.527 119.706 120.200 0.056 0.000 2.427 257 E HA -0.068 4.282 4.350 -0.000 0.000 0.196 257 E C 0.668 177.309 176.600 0.069 0.000 1.028 257 E CA 0.723 57.157 56.400 0.056 0.000 0.864 257 E CB -0.351 29.379 29.700 0.050 0.000 0.813 257 E HN 0.288 nan 8.360 nan 0.000 0.514 258 D N -0.214 120.219 120.400 0.055 0.000 2.623 258 D HA 0.155 4.795 4.640 -0.000 0.000 0.252 258 D C -0.328 175.896 176.300 -0.126 0.000 1.294 258 D CA -0.068 53.955 54.000 0.038 0.000 0.824 258 D CB 0.466 41.293 40.800 0.045 0.000 1.070 258 D HN 0.145 nan 8.370 nan 0.000 0.487 259 I N 1.076 121.607 120.570 -0.065 0.000 2.301 259 I HA 0.106 4.276 4.170 -0.000 0.000 0.292 259 I C 1.440 177.553 176.117 -0.007 0.000 1.046 259 I CA -0.305 60.899 61.300 -0.160 0.000 1.282 259 I CB 0.804 38.804 38.000 0.001 0.000 1.409 259 I HN -0.014 nan 8.210 nan 0.000 0.484 260 H N 5.929 124.982 119.070 -0.028 0.000 2.357 260 H HA 0.118 4.674 4.556 -0.000 0.000 0.301 260 H C 0.141 175.574 175.328 0.175 0.000 1.082 260 H CA 0.545 56.664 56.048 0.119 0.000 1.342 260 H CB 0.504 30.439 29.762 0.287 0.000 1.389 260 H HN 0.326 nan 8.280 nan 0.000 0.511 261 I N 1.827 122.542 120.570 0.242 0.000 2.448 261 I HA 0.229 4.399 4.170 -0.000 0.000 0.281 261 I C -2.476 173.746 176.117 0.174 0.000 1.027 261 I CA -2.892 58.551 61.300 0.237 0.000 1.111 261 I CB 1.543 39.695 38.000 0.252 0.000 1.236 261 I HN -0.159 nan 8.210 nan 0.000 0.452 262 P HA 0.073 nan 4.420 nan 0.000 0.270 262 P C 0.673 178.031 177.300 0.096 0.000 1.223 262 P CA -0.174 63.003 63.100 0.128 0.000 0.785 262 P CB 0.433 32.184 31.700 0.086 0.000 0.923 263 Q N 1.580 121.406 119.800 0.044 0.000 2.364 263 Q HA -0.155 4.185 4.340 -0.000 0.000 0.209 263 Q C 1.644 177.624 176.000 -0.034 0.000 0.977 263 Q CA 1.209 57.023 55.803 0.017 0.000 0.885 263 Q CB -0.848 27.909 28.738 0.032 0.000 0.941 263 Q HN 0.396 nan 8.270 nan 0.000 0.464 264 I N -0.187 120.318 120.570 -0.109 0.000 2.567 264 I HA -0.247 3.922 4.170 -0.000 0.000 0.257 264 I C 0.804 176.791 176.117 -0.215 0.000 1.184 264 I CA 1.012 62.196 61.300 -0.194 0.000 1.451 264 I CB 0.173 37.971 38.000 -0.337 0.000 1.089 264 I HN 0.184 nan 8.210 nan 0.000 0.441 265 Y N -0.585 119.662 120.300 -0.090 0.000 2.458 265 Y HA 0.268 4.818 4.550 -0.000 0.000 0.254 265 Y C 0.506 176.118 175.900 -0.481 0.000 1.120 265 Y CA -0.257 57.724 58.100 -0.198 0.000 1.282 265 Y CB 0.151 38.567 38.460 -0.074 0.000 1.109 265 Y HN -0.209 nan 8.280 nan 0.000 0.526 266 V N 0.414 120.181 119.914 -0.244 0.000 2.347 266 V HA 0.177 4.297 4.120 -0.000 0.000 0.280 266 V C -0.098 175.840 176.094 -0.261 0.000 1.021 266 V CA -0.438 61.712 62.300 -0.249 0.000 0.847 266 V CB 1.090 32.855 31.823 -0.096 0.000 0.990 266 V HN 0.366 nan 8.190 nan 0.000 0.444 267 H N 3.125 122.209 119.070 0.023 0.000 2.615 267 H HA 0.392 4.948 4.556 -0.000 0.000 0.275 267 H C 0.490 175.836 175.328 0.030 0.000 0.981 267 H CA -0.088 55.971 56.048 0.020 0.000 1.252 267 H CB 0.703 30.484 29.762 0.031 0.000 1.447 267 H HN 0.437 nan 8.280 nan 0.000 0.498 268 R N 0.859 121.434 120.500 0.125 0.000 2.604 268 R HA 0.484 4.824 4.340 -0.000 0.000 0.281 268 R C -2.088 174.239 176.300 0.045 0.000 1.020 268 R CA -0.919 55.274 56.100 0.154 0.000 0.899 268 R CB 2.813 33.233 30.300 0.200 0.000 1.205 268 R HN -0.059 nan 8.270 nan 0.000 0.450 269 L N 4.161 125.400 121.223 0.026 0.000 2.455 269 L HA 0.669 5.009 4.340 -0.000 0.000 0.264 269 L C -1.444 175.494 176.870 0.113 0.000 0.968 269 L CA -0.636 54.177 54.840 -0.046 0.000 0.827 269 L CB 2.067 43.922 42.059 -0.341 0.000 1.317 269 L HN 0.741 nan 8.230 nan 0.000 0.407 270 I N 0.643 121.295 120.570 0.137 0.000 2.769 270 I HA 0.564 4.734 4.170 -0.000 0.000 0.298 270 I C -1.185 175.035 176.117 0.172 0.000 1.128 270 I CA -0.868 60.541 61.300 0.182 0.000 1.031 270 I CB 2.037 40.130 38.000 0.155 0.000 1.235 270 I HN 0.674 nan 8.210 nan 0.000 0.423 271 K N 4.012 124.517 120.400 0.175 0.000 2.285 271 K HA 0.479 4.799 4.320 -0.000 0.000 0.286 271 K C 0.153 176.848 176.600 0.158 0.000 1.072 271 K CA -0.384 56.006 56.287 0.172 0.000 0.913 271 K CB 1.024 33.611 32.500 0.144 0.000 1.067 271 K HN 0.993 nan 8.250 nan 0.000 0.479 272 G N 2.462 111.397 108.800 0.225 0.000 2.365 272 G HA2 0.125 4.085 3.960 -0.000 0.000 0.249 272 G HA3 0.125 4.085 3.960 -0.000 0.000 0.249 272 G C 0.671 175.538 174.900 -0.054 0.000 1.288 272 G CA -0.045 45.098 45.100 0.072 0.000 0.887 272 G HN 0.855 nan 8.290 nan 0.000 0.524 273 E N 0.096 120.226 120.200 -0.117 0.000 2.502 273 E HA 0.489 4.839 4.350 -0.000 0.000 0.194 273 E C 1.002 177.527 176.600 -0.126 0.000 1.062 273 E CA 1.226 57.582 56.400 -0.073 0.000 0.867 273 E CB -0.579 29.100 29.700 -0.036 0.000 0.888 273 E HN 1.286 nan 8.360 nan 0.000 0.510 274 K N -0.693 119.521 120.400 -0.310 0.000 2.636 274 K HA 0.617 4.937 4.320 -0.000 0.000 0.268 274 K C -1.654 174.634 176.600 -0.521 0.000 0.958 274 K CA -0.794 55.346 56.287 -0.245 0.000 0.875 274 K CB 0.289 32.730 32.500 -0.099 0.000 1.382 274 K HN 0.299 nan 8.250 nan 0.000 0.405 275 Y N 0.959 121.314 120.300 0.092 0.000 2.446 275 Y HA 0.429 4.979 4.550 -0.000 0.000 0.345 275 Y C 1.300 177.263 175.900 0.104 0.000 0.984 275 Y CA -0.820 57.346 58.100 0.111 0.000 1.058 275 Y CB 2.792 41.317 38.460 0.108 0.000 1.220 275 Y HN 0.827 nan 8.280 nan 0.000 0.455 276 E N 0.887 121.262 120.200 0.291 0.000 2.307 276 E HA 0.036 4.386 4.350 -0.000 0.000 0.195 276 E C -0.250 176.429 176.600 0.133 0.000 0.975 276 E CA 0.006 56.502 56.400 0.159 0.000 0.878 276 E CB 0.241 29.992 29.700 0.085 0.000 0.845 276 E HN 0.497 nan 8.360 nan 0.000 0.488 277 K N 2.464 122.994 120.400 0.217 0.000 3.834 277 K HA -0.205 4.115 4.320 -0.000 0.000 0.276 277 K C -0.539 176.103 176.600 0.070 0.000 0.850 277 K CA 0.499 56.872 56.287 0.144 0.000 0.704 277 K CB -1.116 31.438 32.500 0.090 0.000 1.644 277 K HN 0.195 nan 8.250 nan 0.000 0.440 278 R N 0.769 121.296 120.500 0.046 0.000 2.537 278 R HA 0.171 4.511 4.340 -0.000 0.000 0.280 278 R C 0.805 177.108 176.300 0.005 0.000 1.058 278 R CA -0.116 55.955 56.100 -0.047 0.000 1.057 278 R CB 0.327 30.502 30.300 -0.208 0.000 0.973 278 R HN 0.263 nan 8.270 nan 0.000 0.438 279 I N 2.614 123.177 120.570 -0.012 0.000 2.301 279 I HA -0.000 4.170 4.170 -0.000 0.000 0.292 279 I C 1.755 177.872 176.117 -0.001 0.000 1.046 279 I CA 0.067 61.369 61.300 0.003 0.000 1.282 279 I CB 1.047 39.043 38.000 -0.007 0.000 1.409 279 I HN 0.643 nan 8.210 nan 0.000 0.484 280 E N 5.444 125.658 120.200 0.023 0.000 2.023 280 E HA -0.100 4.250 4.350 -0.000 0.000 0.196 280 E C 0.391 176.997 176.600 0.010 0.000 1.003 280 E CA 1.307 57.722 56.400 0.024 0.000 0.809 280 E CB 0.334 30.064 29.700 0.051 0.000 0.755 280 E HN 0.472 nan 8.360 nan 0.000 0.449 281 R N 0.767 121.273 120.500 0.010 0.000 2.443 281 R HA 0.216 4.556 4.340 -0.000 0.000 0.287 281 R C -1.303 174.977 176.300 -0.034 0.000 1.425 281 R CA -0.548 55.544 56.100 -0.012 0.000 1.300 281 R CB 1.161 31.458 30.300 -0.005 0.000 1.129 281 R HN 0.044 nan 8.270 nan 0.000 0.577 282 L N 2.192 123.389 121.223 -0.043 0.000 2.500 282 L HA 0.180 4.520 4.340 -0.000 0.000 0.272 282 L C -0.597 176.207 176.870 -0.110 0.000 1.149 282 L CA 0.795 55.602 54.840 -0.056 0.000 0.897 282 L CB 0.648 42.681 42.059 -0.044 0.000 1.178 282 L HN 0.410 nan 8.230 nan 0.000 0.473 283 S N 6.352 121.957 115.700 -0.157 0.000 2.482 283 S HA 0.762 5.232 4.470 -0.000 0.000 0.303 283 S C -0.635 173.824 174.600 -0.235 0.000 1.091 283 S CA -0.650 57.350 58.200 -0.333 0.000 1.057 283 S CB 1.768 64.533 63.200 -0.724 0.000 1.031 283 S HN 0.424 nan 8.310 nan 0.000 0.485 284 I N 1.838 122.286 120.570 -0.203 0.000 2.686 284 I HA 0.430 4.600 4.170 -0.000 0.000 0.295 284 I C 0.506 176.622 176.117 -0.002 0.000 1.114 284 I CA -0.727 60.536 61.300 -0.061 0.000 1.038 284 I CB 1.998 39.966 38.000 -0.054 0.000 1.238 284 I HN 0.584 nan 8.210 nan 0.000 0.420 285 R N 2.276 122.805 120.500 0.048 0.000 2.896 285 R HA 0.344 4.684 4.340 -0.000 0.000 0.283 285 R C 0.712 177.032 176.300 0.033 0.000 1.201 285 R CA 0.017 56.157 56.100 0.067 0.000 1.178 285 R CB 0.413 30.741 30.300 0.046 0.000 1.152 285 R HN 0.773 nan 8.270 nan 0.000 0.590 303 E N 1.073 121.232 120.200 -0.068 0.000 2.058 303 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 303 E C 2.058 178.593 176.600 -0.108 0.000 0.997 303 E CA 2.632 58.992 56.400 -0.066 0.000 0.801 303 E CB -1.097 28.566 29.700 -0.062 0.000 0.746 303 E HN 0.605 nan 8.360 nan 0.000 0.450 304 R N 0.272 120.652 120.500 -0.201 0.000 2.159 304 R HA 0.060 4.400 4.340 -0.000 0.000 0.237 304 R C 2.509 178.689 176.300 -0.199 0.000 1.131 304 R CA 1.708 57.613 56.100 -0.325 0.000 0.982 304 R CB -1.090 28.832 30.300 -0.631 0.000 0.868 304 R HN 0.660 nan 8.270 nan 0.000 0.453 305 I N -0.664 119.832 120.570 -0.123 0.000 2.277 305 I HA -0.071 4.099 4.170 -0.000 0.000 0.243 305 I C 2.397 178.500 176.117 -0.022 0.000 1.094 305 I CA 1.092 62.358 61.300 -0.057 0.000 1.393 305 I CB -0.184 37.798 38.000 -0.030 0.000 1.078 305 I HN 0.172 nan 8.210 nan 0.000 0.417 306 I N 1.491 122.053 120.570 -0.013 0.000 2.179 306 I HA -0.320 3.850 4.170 -0.000 0.000 0.242 306 I C 2.975 179.107 176.117 0.026 0.000 1.088 306 I CA 2.024 63.335 61.300 0.019 0.000 1.357 306 I CB -0.433 37.579 38.000 0.020 0.000 1.051 306 I HN 0.170 nan 8.210 nan 0.000 0.409 307 K N 0.199 120.600 120.400 0.002 0.000 2.283 307 K HA -0.138 4.182 4.320 -0.000 0.000 0.202 307 K C 2.056 178.672 176.600 0.026 0.000 1.048 307 K CA 1.569 57.864 56.287 0.015 0.000 0.948 307 K CB -0.580 31.920 32.500 -0.001 0.000 0.742 307 K HN 0.202 nan 8.250 nan 0.000 0.458 308 R N 0.126 120.633 120.500 0.011 0.000 2.064 308 R HA 0.275 4.615 4.340 -0.000 0.000 0.221 308 R C 2.525 178.835 176.300 0.017 0.000 1.136 308 R CA 1.593 57.705 56.100 0.020 0.000 0.980 308 R CB -0.975 29.331 30.300 0.010 0.000 0.876 308 R HN 0.310 nan 8.270 nan 0.000 0.437 309 A N 0.922 123.749 122.820 0.010 0.000 1.940 309 A HA -0.230 4.090 4.320 -0.000 0.000 0.221 309 A C 2.367 179.964 177.584 0.021 0.000 1.190 309 A CA 2.407 54.440 52.037 -0.007 0.000 0.647 309 A CB -1.317 17.694 19.000 0.020 0.000 0.821 309 A HN 0.526 nan 8.150 nan 0.000 0.457 310 A N -0.633 122.264 122.820 0.128 0.000 2.024 310 A HA 0.005 4.325 4.320 -0.000 0.000 0.220 310 A C 1.905 179.618 177.584 0.214 0.000 1.164 310 A CA 1.409 53.609 52.037 0.272 0.000 0.643 310 A CB -0.567 18.533 19.000 0.166 0.000 0.806 310 A HN 0.531 nan 8.150 nan 0.000 0.451 311 L N -0.396 120.879 121.223 0.085 0.000 2.610 311 L HA -0.001 4.339 4.340 -0.000 0.000 0.232 311 L C 1.669 178.536 176.870 -0.005 0.000 1.149 311 L CA 0.171 55.041 54.840 0.050 0.000 0.872 311 L CB -0.231 41.849 42.059 0.034 0.000 0.992 311 L HN 0.287 nan 8.230 nan 0.000 0.447 312 E N -0.023 120.120 120.200 -0.096 0.000 2.385 312 E HA 0.074 4.424 4.350 -0.000 0.000 0.194 312 E C 0.280 176.713 176.600 -0.279 0.000 1.013 312 E CA 0.178 56.447 56.400 -0.218 0.000 0.866 312 E CB 0.189 29.686 29.700 -0.340 0.000 0.832 312 E HN 0.224 nan 8.360 nan 0.000 0.500 313 F N 1.759 121.699 119.950 -0.017 0.000 2.471 313 F HA 0.158 4.685 4.527 -0.000 0.000 0.353 313 F C 0.983 176.762 175.800 -0.035 0.000 1.113 313 F CA 0.195 58.176 58.000 -0.032 0.000 1.262 313 F CB 0.652 39.623 39.000 -0.049 0.000 1.146 313 F HN -0.267 nan 8.300 nan 0.000 0.578 314 E N 0.212 120.505 120.200 0.154 0.000 2.343 314 E HA 0.173 4.523 4.350 -0.000 0.000 0.270 314 E C -1.562 175.054 176.600 0.026 0.000 0.895 314 E CA -1.144 55.296 56.400 0.066 0.000 0.767 314 E CB 1.742 31.465 29.700 0.040 0.000 1.248 314 E HN 0.392 nan 8.360 nan 0.000 0.440 315 D N 0.167 120.565 120.400 -0.003 0.000 2.450 315 D HA 0.194 4.834 4.640 -0.000 0.000 0.247 315 D C 0.887 177.165 176.300 -0.037 0.000 1.162 315 D CA 2.026 56.001 54.000 -0.042 0.000 0.879 315 D CB 0.514 41.295 40.800 -0.031 0.000 1.163 315 D HN 0.636 nan 8.370 nan 0.000 0.472 316 G N 3.381 112.126 108.800 -0.091 0.000 2.195 316 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.246 316 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.246 316 G C 0.591 175.456 174.900 -0.058 0.000 0.984 316 G CA 0.240 45.319 45.100 -0.035 0.000 0.633 316 G HN 0.606 nan 8.290 nan 0.000 0.525 317 M N 0.851 120.408 119.600 -0.072 0.000 2.245 317 M HA 0.533 5.013 4.480 -0.000 0.000 0.344 317 M C -0.343 175.878 176.300 -0.132 0.000 1.170 317 M CA -0.164 55.132 55.300 -0.008 0.000 1.135 317 M CB 0.278 32.920 32.600 0.072 0.000 1.574 317 M HN 0.140 nan 8.290 nan 0.000 0.452 318 Y N 3.493 123.883 120.300 0.150 0.000 2.353 318 Y HA 0.597 5.147 4.550 -0.000 0.000 0.340 318 Y C 0.082 176.055 175.900 0.120 0.000 0.972 318 Y CA -0.496 57.688 58.100 0.141 0.000 1.157 318 Y CB 1.188 39.702 38.460 0.090 0.000 1.157 318 Y HN 0.727 nan 8.280 nan 0.000 0.495 319 A N 3.796 126.751 122.820 0.226 0.000 2.414 319 A HA 0.480 4.800 4.320 -0.000 0.000 0.306 319 A C -1.220 176.465 177.584 0.168 0.000 1.054 319 A CA -0.920 51.244 52.037 0.212 0.000 0.724 319 A CB 1.305 20.515 19.000 0.350 0.000 1.267 319 A HN 0.687 nan 8.150 nan 0.000 0.418 320 N N 2.544 121.323 118.700 0.131 0.000 2.400 320 N HA 0.487 5.227 4.740 -0.000 0.000 0.288 320 N C -1.299 174.273 175.510 0.104 0.000 1.024 320 N CA -0.270 52.836 53.050 0.093 0.000 0.894 320 N CB 0.924 39.447 38.487 0.060 0.000 1.173 320 N HN 0.623 nan 8.380 nan 0.000 0.487 321 L N 2.152 123.431 121.223 0.094 0.000 2.289 321 L HA 0.480 4.820 4.340 -0.000 0.000 0.285 321 L C 1.283 178.200 176.870 0.079 0.000 1.049 321 L CA -0.975 53.924 54.840 0.099 0.000 0.804 321 L CB 1.472 43.587 42.059 0.093 0.000 1.195 321 L HN 0.507 nan 8.230 nan 0.000 0.428 322 G N 2.524 111.373 108.800 0.081 0.000 2.476 322 G HA2 0.514 4.474 3.960 -0.000 0.000 0.286 322 G HA3 0.514 4.474 3.960 -0.000 0.000 0.286 322 G C -0.061 174.882 174.900 0.071 0.000 1.177 322 G CA -0.800 44.347 45.100 0.078 0.000 0.870 322 G HN 0.709 nan 8.290 nan 0.000 0.528 323 I N -0.438 120.166 120.570 0.057 0.000 2.872 323 I HA 0.508 4.678 4.170 -0.000 0.000 0.291 323 I C 0.908 177.062 176.117 0.062 0.000 1.216 323 I CA 0.610 61.938 61.300 0.046 0.000 1.424 323 I CB 0.279 38.272 38.000 -0.011 0.000 1.351 323 I HN 1.252 nan 8.210 nan 0.000 0.592 324 G N 4.081 112.920 108.800 0.065 0.000 2.445 324 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.212 324 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.212 324 G C 0.239 175.178 174.900 0.066 0.000 1.217 324 G CA -0.141 44.999 45.100 0.066 0.000 1.002 324 G HN 0.747 nan 8.290 nan 0.000 0.574 325 I N 2.221 122.827 120.570 0.059 0.000 2.194 325 I HA -0.126 4.044 4.170 -0.000 0.000 0.246 325 I C 0.097 176.254 176.117 0.067 0.000 1.093 325 I CA 2.250 63.583 61.300 0.056 0.000 1.355 325 I CB -1.049 36.977 38.000 0.042 0.000 1.046 325 I HN 0.345 nan 8.210 nan 0.000 0.413 326 P HA -0.202 nan 4.420 nan 0.000 0.216 326 P C 1.893 179.251 177.300 0.097 0.000 1.154 326 P CA 1.526 64.679 63.100 0.087 0.000 0.865 326 P CB -0.082 31.669 31.700 0.084 0.000 0.789 327 L N -1.688 119.588 121.223 0.088 0.000 2.043 327 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 327 L C 2.749 179.673 176.870 0.089 0.000 1.075 327 L CA 1.866 56.759 54.840 0.088 0.000 0.752 327 L CB -1.735 40.397 42.059 0.122 0.000 0.891 327 L HN -0.042 nan 8.230 nan 0.000 0.432 328 L N -1.122 120.160 121.223 0.100 0.000 2.622 328 L HA 0.250 4.590 4.340 -0.000 0.000 0.233 328 L C 2.531 179.440 176.870 0.065 0.000 1.156 328 L CA 1.694 56.590 54.840 0.094 0.000 0.866 328 L CB -1.770 40.337 42.059 0.081 0.000 0.980 328 L HN 0.351 nan 8.230 nan 0.000 0.448 329 A N -0.439 122.426 122.820 0.074 0.000 1.984 329 A HA 0.051 4.371 4.320 -0.000 0.000 0.214 329 A C 2.772 180.380 177.584 0.040 0.000 1.173 329 A CA 1.405 53.502 52.037 0.100 0.000 0.673 329 A CB -0.557 18.561 19.000 0.195 0.000 0.830 329 A HN 1.037 nan 8.150 nan 0.000 0.453 330 S N 1.423 117.094 115.700 -0.048 0.000 2.383 330 S HA -0.218 4.252 4.470 -0.000 0.000 0.229 330 S C 1.476 175.955 174.600 -0.203 0.000 1.030 330 S CA 1.482 59.553 58.200 -0.216 0.000 1.002 330 S CB -0.799 62.253 63.200 -0.247 0.000 0.829 330 S HN 0.564 nan 8.310 nan 0.000 0.467 331 N N 1.276 119.892 118.700 -0.141 0.000 2.519 331 N HA -0.044 4.696 4.740 -0.000 0.000 0.186 331 N C 1.160 176.630 175.510 -0.067 0.000 1.062 331 N CA 1.560 54.548 53.050 -0.103 0.000 0.910 331 N CB -0.757 37.705 38.487 -0.042 0.000 0.958 331 N HN 0.736 nan 8.380 nan 0.000 0.445 332 F N 0.220 120.138 119.950 -0.053 0.000 2.639 332 F HA 0.413 4.940 4.527 -0.000 0.000 0.302 332 F C 0.985 176.763 175.800 -0.037 0.000 1.097 332 F CA -0.665 57.321 58.000 -0.024 0.000 1.294 332 F CB -0.787 38.222 39.000 0.015 0.000 1.027 332 F HN -0.120 nan 8.300 nan 0.000 0.550 333 I N 1.614 122.110 120.570 -0.123 0.000 2.556 333 I HA 0.127 4.297 4.170 -0.000 0.000 0.284 333 I C 1.189 177.241 176.117 -0.109 0.000 1.114 333 I CA -0.300 60.898 61.300 -0.170 0.000 1.418 333 I CB 1.236 39.007 38.000 -0.383 0.000 1.394 333 I HN 0.281 nan 8.210 nan 0.000 0.552 334 S N 8.388 124.051 115.700 -0.062 0.000 2.558 334 S HA 0.073 4.543 4.470 -0.000 0.000 0.293 334 S C -1.114 173.442 174.600 -0.073 0.000 1.292 334 S CA -0.969 57.202 58.200 -0.047 0.000 1.063 334 S CB 0.606 63.793 63.200 -0.021 0.000 0.831 334 S HN 0.492 nan 8.310 nan 0.000 0.499 335 P HA 0.081 nan 4.420 nan 0.000 0.249 335 P C 0.374 177.641 177.300 -0.055 0.000 1.229 335 P CA 0.264 63.325 63.100 -0.064 0.000 0.788 335 P CB 0.062 31.732 31.700 -0.050 0.000 1.072 336 N N 0.698 119.371 118.700 -0.044 0.000 2.409 336 N HA 0.020 4.760 4.740 -0.000 0.000 0.179 336 N C 1.190 176.673 175.510 -0.045 0.000 1.032 336 N CA 0.537 53.565 53.050 -0.036 0.000 0.898 336 N CB 0.047 38.520 38.487 -0.022 0.000 0.971 336 N HN 0.411 nan 8.380 nan 0.000 0.441 337 I N -2.430 118.103 120.570 -0.062 0.000 2.797 337 I HA 0.437 4.607 4.170 -0.000 0.000 0.307 337 I C -0.824 175.214 176.117 -0.130 0.000 1.033 337 I CA -0.643 60.610 61.300 -0.079 0.000 1.071 337 I CB 2.152 40.116 38.000 -0.060 0.000 1.255 337 I HN -0.341 nan 8.210 nan 0.000 0.445 338 T N 4.171 118.625 114.554 -0.166 0.000 2.749 338 T HA 0.533 4.883 4.350 -0.000 0.000 0.287 338 T C -0.272 174.186 174.700 -0.404 0.000 0.970 338 T CA -0.342 61.592 62.100 -0.277 0.000 0.980 338 T CB 1.341 70.055 68.868 -0.256 0.000 0.924 338 T HN 0.407 nan 8.240 nan 0.000 0.456 339 V N 4.648 124.284 119.914 -0.463 0.000 2.495 339 V HA 0.341 4.461 4.120 -0.000 0.000 0.298 339 V C -0.395 175.341 176.094 -0.597 0.000 1.031 339 V CA -1.014 61.006 62.300 -0.466 0.000 0.871 339 V CB 1.532 33.142 31.823 -0.354 0.000 0.988 339 V HN 0.827 nan 8.190 nan 0.000 0.432 340 H N 5.493 124.382 119.070 -0.301 0.000 2.685 340 H HA 0.434 4.990 4.556 -0.000 0.000 0.286 340 H C -0.529 174.730 175.328 -0.115 0.000 1.102 340 H CA -0.251 55.627 56.048 -0.284 0.000 1.254 340 H CB 1.110 30.493 29.762 -0.633 0.000 1.397 340 H HN 0.414 nan 8.280 nan 0.000 0.473 341 L N 3.210 124.427 121.223 -0.010 0.000 2.265 341 L HA 0.206 4.546 4.340 -0.000 0.000 0.288 341 L C 0.675 177.567 176.870 0.037 0.000 1.058 341 L CA -0.280 54.560 54.840 -0.001 0.000 0.809 341 L CB 1.190 43.194 42.059 -0.091 0.000 1.179 341 L HN 0.399 nan 8.230 nan 0.000 0.429 342 Q N 2.169 122.013 119.800 0.072 0.000 2.245 342 Q HA 0.363 4.703 4.340 -0.000 0.000 0.256 342 Q C -1.164 174.833 176.000 -0.005 0.000 0.942 342 Q CA -0.195 55.646 55.803 0.064 0.000 0.896 342 Q CB 2.206 31.006 28.738 0.104 0.000 1.272 342 Q HN 0.552 nan 8.270 nan 0.000 0.442 343 S N 1.763 117.424 115.700 -0.065 0.000 2.552 343 S HA 0.105 4.575 4.470 -0.000 0.000 0.314 343 S C 0.845 175.323 174.600 -0.204 0.000 1.099 343 S CA -0.507 57.618 58.200 -0.125 0.000 1.070 343 S CB 0.876 63.980 63.200 -0.159 0.000 0.998 343 S HN 0.714 nan 8.310 nan 0.000 0.474 344 E N 3.902 123.986 120.200 -0.193 0.000 2.219 344 E HA -0.237 4.113 4.350 -0.000 0.000 0.198 344 E C 1.006 177.417 176.600 -0.315 0.000 0.998 344 E CA 1.515 57.723 56.400 -0.320 0.000 0.818 344 E CB -0.432 29.189 29.700 -0.132 0.000 0.741 344 E HN 0.724 nan 8.360 nan 0.000 0.477 345 N N 1.230 119.634 118.700 -0.494 0.000 2.573 345 N HA -0.048 4.692 4.740 -0.000 0.000 0.187 345 N C 0.911 176.101 175.510 -0.533 0.000 1.107 345 N CA 1.161 53.755 53.050 -0.759 0.000 0.918 345 N CB 0.286 37.857 38.487 -1.527 0.000 0.966 345 N HN 0.371 nan 8.380 nan 0.000 0.448 346 G N -0.911 107.563 108.800 -0.543 0.000 2.462 346 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.124 346 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.124 346 G C -1.061 173.112 174.900 -1.212 0.000 1.062 346 G CA -0.175 44.373 45.100 -0.919 0.000 0.764 346 G HN 0.254 nan 8.290 nan 0.000 0.485 347 V N 0.176 119.579 119.914 -0.852 0.000 2.709 347 V HA 0.837 4.957 4.120 -0.000 0.000 0.308 347 V C -0.356 175.593 176.094 -0.241 0.000 1.062 347 V CA -1.101 60.853 62.300 -0.576 0.000 0.901 347 V CB 2.061 33.713 31.823 -0.284 0.000 1.003 347 V HN 0.552 nan 8.190 nan 0.000 0.425 348 L N 3.496 124.665 121.223 -0.090 0.000 2.349 348 L HA 0.921 5.261 4.340 -0.000 0.000 0.278 348 L C 0.445 177.288 176.870 -0.045 0.000 0.996 348 L CA 1.018 55.903 54.840 0.074 0.000 0.825 348 L CB 1.562 43.753 42.059 0.221 0.000 1.243 348 L HN 1.009 nan 8.230 nan 0.000 0.412 349 G N 4.438 113.227 108.800 -0.019 0.000 2.237 349 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.153 349 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.153 349 G C -0.153 174.685 174.900 -0.102 0.000 1.039 349 G CA -0.206 44.871 45.100 -0.039 0.000 0.719 349 G HN 0.603 nan 8.290 nan 0.000 0.491 350 L N 0.304 121.462 121.223 -0.108 0.000 2.514 350 L HA 0.439 4.779 4.340 -0.000 0.000 0.280 350 L C 1.490 178.277 176.870 -0.137 0.000 1.223 350 L CA 0.868 55.635 54.840 -0.122 0.000 0.864 350 L CB 0.458 42.444 42.059 -0.121 0.000 1.118 350 L HN 0.356 nan 8.230 nan 0.000 0.494 351 G N 2.426 111.146 108.800 -0.134 0.000 2.887 351 G HA2 0.635 4.595 3.960 -0.000 0.000 0.277 351 G HA3 0.635 4.595 3.960 -0.000 0.000 0.277 351 G C -2.637 172.144 174.900 -0.197 0.000 1.346 351 G CA -0.937 44.075 45.100 -0.147 0.000 1.058 351 G HN 0.403 nan 8.290 nan 0.000 0.535 352 P HA 0.115 nan 4.420 nan 0.000 0.274 352 P C -0.840 176.336 177.300 -0.206 0.000 1.264 352 P CA -0.304 62.649 63.100 -0.245 0.000 0.795 352 P CB 0.337 31.953 31.700 -0.139 0.000 1.064 353 Y N -0.218 120.053 120.300 -0.048 0.000 2.457 353 Y HA 0.145 4.695 4.550 -0.000 0.000 0.341 353 Y C -1.295 174.569 175.900 -0.059 0.000 1.240 353 Y CA -1.683 56.390 58.100 -0.046 0.000 1.437 353 Y CB -1.204 37.234 38.460 -0.037 0.000 1.328 353 Y HN 0.309 nan 8.280 nan 0.000 0.588 354 P HA 0.177 nan 4.420 nan 0.000 0.274 354 P C -0.648 176.620 177.300 -0.053 0.000 1.246 354 P CA -0.419 62.673 63.100 -0.013 0.000 0.795 354 P CB 0.891 32.571 31.700 -0.033 0.000 1.006 355 R N -0.141 120.260 120.500 -0.165 0.000 2.615 355 R HA 0.261 4.601 4.340 -0.000 0.000 0.270 355 R C 2.097 178.270 176.300 -0.213 0.000 1.081 355 R CA -0.111 55.879 56.100 -0.185 0.000 1.154 355 R CB -0.357 29.789 30.300 -0.256 0.000 1.063 355 R HN 0.504 nan 8.270 nan 0.000 0.519 356 Q N 2.032 121.777 119.800 -0.092 0.000 2.118 356 Q HA -0.255 4.085 4.340 -0.000 0.000 0.211 356 Q C 1.878 177.855 176.000 -0.039 0.000 0.998 356 Q CA 2.529 58.309 55.803 -0.037 0.000 0.872 356 Q CB -1.400 27.351 28.738 0.021 0.000 0.925 356 Q HN 0.931 nan 8.270 nan 0.000 0.414 357 H N -0.927 118.149 119.070 0.009 0.000 2.457 357 H HA 0.056 4.612 4.556 -0.000 0.000 0.294 357 H C 1.583 176.916 175.328 0.009 0.000 1.064 357 H CA 1.266 57.319 56.048 0.009 0.000 1.330 357 H CB 0.029 29.796 29.762 0.009 0.000 1.395 357 H HN 0.754 nan 8.280 nan 0.000 0.541 358 E N 1.420 121.361 120.200 -0.432 0.000 2.158 358 E HA 0.143 4.493 4.350 -0.000 0.000 0.191 358 E C 1.027 177.576 176.600 -0.085 0.000 0.982 358 E CA 0.284 56.556 56.400 -0.213 0.000 0.823 358 E CB 0.131 29.668 29.700 -0.272 0.000 0.766 358 E HN 0.486 nan 8.360 nan 0.000 0.468 359 A N 2.334 125.105 122.820 -0.081 0.000 2.591 359 A HA -0.090 4.230 4.320 -0.000 0.000 0.244 359 A C -0.045 177.524 177.584 -0.025 0.000 1.031 359 A CA 0.666 52.680 52.037 -0.039 0.000 0.767 359 A CB 0.099 19.079 19.000 -0.033 0.000 0.942 359 A HN 0.052 nan 8.150 nan 0.000 0.514 360 D N 1.470 121.855 120.400 -0.025 0.000 2.896 360 D HA 0.518 5.158 4.640 -0.000 0.000 0.241 360 D C 0.737 177.014 176.300 -0.037 0.000 1.188 360 D CA 0.243 54.220 54.000 -0.038 0.000 0.879 360 D CB 1.923 42.688 40.800 -0.059 0.000 1.553 360 D HN 0.440 nan 8.370 nan 0.000 0.515 361 A N 3.119 125.917 122.820 -0.036 0.000 2.015 361 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 361 A C 1.278 178.837 177.584 -0.042 0.000 1.163 361 A CA 1.217 53.241 52.037 -0.021 0.000 0.646 361 A CB 0.013 19.011 19.000 -0.005 0.000 0.806 361 A HN 0.521 nan 8.150 nan 0.000 0.448 362 D N -1.270 119.070 120.400 -0.101 0.000 2.355 362 D HA 0.092 4.732 4.640 -0.000 0.000 0.218 362 D C -0.122 176.067 176.300 -0.185 0.000 1.004 362 D CA 0.412 54.314 54.000 -0.164 0.000 0.880 362 D CB 0.243 40.881 40.800 -0.271 0.000 0.911 362 D HN 0.299 nan 8.370 nan 0.000 0.528 363 L N 1.873 123.028 121.223 -0.113 0.000 2.384 363 L HA 0.366 4.706 4.340 -0.000 0.000 0.261 363 L C -0.489 176.374 176.870 -0.012 0.000 1.024 363 L CA -0.756 54.046 54.840 -0.062 0.000 0.899 363 L CB 0.131 42.179 42.059 -0.018 0.000 1.243 363 L HN -0.106 nan 8.230 nan 0.000 0.449 364 I N 0.874 121.435 120.570 -0.014 0.000 3.170 364 I HA 0.759 4.929 4.170 -0.000 0.000 0.312 364 I C -0.385 175.733 176.117 0.003 0.000 1.085 364 I CA -0.934 60.383 61.300 0.028 0.000 0.999 364 I CB 1.978 40.023 38.000 0.074 0.000 1.233 364 I HN 0.510 nan 8.210 nan 0.000 0.467 365 N N 1.537 120.267 118.700 0.050 0.000 2.776 365 N HA 0.496 5.236 4.740 -0.000 0.000 0.319 365 N C 0.509 176.082 175.510 0.106 0.000 1.316 365 N CA -0.216 52.853 53.050 0.031 0.000 0.890 365 N CB 0.506 39.027 38.487 0.056 0.000 1.165 365 N HN 0.766 nan 8.380 nan 0.000 0.596 366 A N -1.321 121.571 122.820 0.121 0.000 2.016 366 A HA 0.187 4.507 4.320 -0.000 0.000 0.217 366 A C 1.760 179.458 177.584 0.190 0.000 1.162 366 A CA 1.199 53.398 52.037 0.270 0.000 0.662 366 A CB -1.380 17.731 19.000 0.184 0.000 0.812 366 A HN 0.772 nan 8.150 nan 0.000 0.450 367 G N -1.069 107.802 108.800 0.117 0.000 2.848 367 G HA2 0.190 4.149 3.960 -0.000 0.000 0.208 367 G HA3 0.190 4.149 3.960 -0.000 0.000 0.208 367 G C 0.671 175.623 174.900 0.088 0.000 1.152 367 G CA 0.490 45.632 45.100 0.070 0.000 0.789 367 G HN 0.528 nan 8.290 nan 0.000 0.531 368 K N -0.771 119.717 120.400 0.147 0.000 3.339 368 K HA -0.158 4.162 4.320 -0.000 0.000 0.299 368 K C -0.209 176.450 176.600 0.098 0.000 1.270 368 K CA 0.804 57.176 56.287 0.143 0.000 0.875 368 K CB -1.300 31.264 32.500 0.107 0.000 1.298 368 K HN 0.532 nan 8.250 nan 0.000 0.485 369 E N 1.482 121.743 120.200 0.101 0.000 2.249 369 E HA 0.119 4.469 4.350 -0.000 0.000 0.280 369 E C 0.262 176.922 176.600 0.101 0.000 1.016 369 E CA -0.294 56.154 56.400 0.079 0.000 0.830 369 E CB 0.891 30.661 29.700 0.116 0.000 1.081 369 E HN 0.195 nan 8.360 nan 0.000 0.395 370 T N -0.354 114.238 114.554 0.063 0.000 2.867 370 T HA 0.260 4.610 4.350 -0.000 0.000 0.297 370 T C 0.385 175.178 174.700 0.155 0.000 0.989 370 T CA -0.798 61.343 62.100 0.068 0.000 1.159 370 T CB 0.030 68.913 68.868 0.025 0.000 0.928 370 T HN 0.260 nan 8.240 nan 0.000 0.538 371 V N 0.307 120.288 119.914 0.112 0.000 3.181 371 V HA 0.950 5.070 4.120 -0.000 0.000 0.314 371 V C 0.303 176.418 176.094 0.035 0.000 1.173 371 V CA -0.823 61.535 62.300 0.097 0.000 1.052 371 V CB 1.475 33.316 31.823 0.030 0.000 1.123 371 V HN 1.162 nan 8.190 nan 0.000 0.454 372 T N -0.692 113.856 114.554 -0.010 0.000 2.938 372 T HA 0.829 5.178 4.350 -0.000 0.000 0.285 372 T C -0.260 174.418 174.700 -0.035 0.000 1.028 372 T CA -0.545 61.544 62.100 -0.019 0.000 1.005 372 T CB 1.631 70.478 68.868 -0.034 0.000 1.157 372 T HN 1.312 nan 8.240 nan 0.000 0.550 373 I N -0.965 119.590 120.570 -0.026 0.000 2.646 373 I HA 0.655 4.825 4.170 -0.000 0.000 0.299 373 I C -0.859 175.221 176.117 -0.062 0.000 1.036 373 I CA -1.639 59.619 61.300 -0.069 0.000 1.074 373 I CB 1.519 39.451 38.000 -0.113 0.000 1.258 373 I HN 0.536 nan 8.210 nan 0.000 0.430 374 L N 3.904 125.081 121.223 -0.077 0.000 2.379 374 L HA 0.523 4.863 4.340 -0.000 0.000 0.269 374 L C -2.090 174.752 176.870 -0.047 0.000 1.084 374 L CA -1.814 52.991 54.840 -0.058 0.000 0.802 374 L CB 0.418 42.438 42.059 -0.066 0.000 1.175 374 L HN 0.369 nan 8.230 nan 0.000 0.448 375 P HA -0.019 nan 4.420 nan 0.000 0.263 375 P C 0.710 178.000 177.300 -0.016 0.000 1.175 375 P CA 0.943 64.034 63.100 -0.016 0.000 0.761 375 P CB 0.466 32.161 31.700 -0.008 0.000 0.794 376 G N 1.117 109.906 108.800 -0.017 0.000 2.176 376 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.253 376 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.253 376 G C 0.487 175.360 174.900 -0.045 0.000 0.979 376 G CA 0.059 45.148 45.100 -0.019 0.000 0.641 376 G HN 0.867 nan 8.290 nan 0.000 0.530 377 A N -0.157 122.610 122.820 -0.088 0.000 2.346 377 A HA 0.799 5.119 4.320 -0.000 0.000 0.252 377 A C 0.817 178.265 177.584 -0.227 0.000 1.089 377 A CA 1.096 53.026 52.037 -0.177 0.000 0.797 377 A CB 0.525 19.357 19.000 -0.280 0.000 1.047 377 A HN 2.008 nan 8.150 nan 0.000 0.494 378 S N -0.885 114.635 115.700 -0.301 0.000 2.588 378 S HA 0.831 5.301 4.470 -0.000 0.000 0.275 378 S C -1.050 173.257 174.600 -0.487 0.000 1.130 378 S CA -0.626 57.434 58.200 -0.233 0.000 0.855 378 S CB 1.100 64.323 63.200 0.039 0.000 1.116 378 S HN 0.455 nan 8.310 nan 0.000 0.472 379 F N 1.181 121.091 119.950 -0.065 0.000 2.561 379 F HA 0.876 5.403 4.527 -0.000 0.000 0.321 379 F C -0.341 175.338 175.800 -0.202 0.000 1.065 379 F CA -0.959 56.842 58.000 -0.332 0.000 0.934 379 F CB 1.789 40.635 39.000 -0.257 0.000 1.215 379 F HN 0.815 nan 8.300 nan 0.000 0.471 380 F N -1.704 118.237 119.950 -0.015 0.000 2.817 380 F HA 0.666 5.192 4.527 -0.000 0.000 0.317 380 F C -0.627 175.061 175.800 -0.187 0.000 1.168 380 F CA -1.563 56.356 58.000 -0.134 0.000 0.911 380 F CB 0.468 39.379 39.000 -0.149 0.000 1.337 380 F HN 0.395 nan 8.300 nan 0.000 0.464 381 S N -0.252 115.435 115.700 -0.021 0.000 2.681 381 S HA 0.409 4.879 4.470 -0.000 0.000 0.270 381 S C 0.566 175.074 174.600 -0.153 0.000 1.209 381 S CA 0.049 58.138 58.200 -0.186 0.000 0.988 381 S CB 1.294 64.360 63.200 -0.224 0.000 1.006 381 S HN 0.695 nan 8.310 nan 0.000 0.558 382 S N 1.581 117.096 115.700 -0.309 0.000 2.368 382 S HA -0.145 4.325 4.470 -0.000 0.000 0.225 382 S C 1.717 176.241 174.600 -0.126 0.000 1.030 382 S CA 1.535 59.534 58.200 -0.335 0.000 0.999 382 S CB -0.764 61.812 63.200 -1.041 0.000 0.844 382 S HN 0.928 nan 8.310 nan 0.000 0.459 383 D N 1.541 121.824 120.400 -0.196 0.000 2.117 383 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 383 D C 1.794 178.076 176.300 -0.030 0.000 0.987 383 D CA 1.314 55.264 54.000 -0.083 0.000 0.829 383 D CB -0.601 40.121 40.800 -0.130 0.000 0.961 383 D HN 0.375 nan 8.370 nan 0.000 0.460 384 E N 0.980 121.151 120.200 -0.049 0.000 2.072 384 E HA -0.143 4.206 4.350 -0.000 0.000 0.191 384 E C 2.084 178.633 176.600 -0.085 0.000 0.985 384 E CA 1.427 57.780 56.400 -0.078 0.000 0.801 384 E CB -0.543 29.117 29.700 -0.067 0.000 0.750 384 E HN 0.144 nan 8.360 nan 0.000 0.452 385 S N -1.060 114.686 115.700 0.076 0.000 2.359 385 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 385 S C 1.624 176.077 174.600 -0.245 0.000 1.039 385 S CA 1.595 59.800 58.200 0.009 0.000 1.042 385 S CB -0.525 62.609 63.200 -0.110 0.000 0.915 385 S HN 0.407 nan 8.310 nan 0.000 0.439 386 F N 1.483 121.430 119.950 -0.005 0.000 2.558 386 F HA 0.264 4.792 4.527 0.000 0.000 0.298 386 F C 2.286 178.082 175.800 -0.007 0.000 1.119 386 F CA 0.412 58.415 58.000 0.006 0.000 1.451 386 F CB -0.578 38.431 39.000 0.016 0.000 1.091 386 F HN 0.252 nan 8.300 nan 0.000 0.563 387 A N 0.042 122.904 122.820 0.071 0.000 1.877 387 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 387 A C 2.286 179.884 177.584 0.024 0.000 1.186 387 A CA 1.612 53.657 52.037 0.015 0.000 0.620 387 A CB -0.744 18.213 19.000 -0.070 0.000 0.822 387 A HN 0.343 nan 8.150 nan 0.000 0.443 388 M N -0.677 118.869 119.600 -0.090 0.000 2.110 388 M HA -0.206 4.274 4.480 -0.000 0.000 0.257 388 M C 2.073 178.418 176.300 0.075 0.000 1.071 388 M CA 2.069 57.307 55.300 -0.103 0.000 1.096 388 M CB -0.394 32.047 32.600 -0.264 0.000 1.300 388 M HN 0.489 nan 8.290 nan 0.000 0.411 389 I N -1.178 119.405 120.570 0.022 0.000 2.110 389 I HA -0.315 3.855 4.170 -0.000 0.000 0.236 389 I C 2.602 178.792 176.117 0.120 0.000 1.068 389 I CA 1.329 62.667 61.300 0.064 0.000 1.333 389 I CB -0.540 37.481 38.000 0.036 0.000 1.054 389 I HN 0.295 nan 8.210 nan 0.000 0.402 390 R N 1.031 121.632 120.500 0.168 0.000 2.105 390 R HA -0.161 4.179 4.340 -0.000 0.000 0.239 390 R C 2.153 178.520 176.300 0.112 0.000 1.135 390 R CA 1.643 57.838 56.100 0.159 0.000 0.967 390 R CB -0.499 29.913 30.300 0.187 0.000 0.861 390 R HN 0.471 nan 8.270 nan 0.000 0.442 391 G N -1.099 107.769 108.800 0.114 0.000 2.598 391 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.215 391 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.215 391 G C 0.847 175.642 174.900 -0.175 0.000 1.131 391 G CA 0.612 45.738 45.100 0.043 0.000 0.785 391 G HN 0.580 nan 8.290 nan 0.000 0.539 392 G N -0.593 108.152 108.800 -0.092 0.000 2.132 392 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.228 392 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.228 392 G C 0.718 175.490 174.900 -0.213 0.000 1.000 392 G CA 0.424 45.443 45.100 -0.134 0.000 0.693 392 G HN 0.580 nan 8.290 nan 0.000 0.515 393 H N -1.063 117.969 119.070 -0.063 0.000 2.551 393 H HA 0.202 4.758 4.556 -0.000 0.000 0.266 393 H C 1.278 176.542 175.328 -0.106 0.000 0.964 393 H CA 0.935 56.910 56.048 -0.122 0.000 1.180 393 H CB 0.627 30.270 29.762 -0.197 0.000 1.408 393 H HN 0.328 nan 8.280 nan 0.000 0.563 394 V N 2.631 122.586 119.914 0.068 0.000 2.465 394 V HA -0.020 4.100 4.120 -0.000 0.000 0.279 394 V C 0.957 177.112 176.094 0.101 0.000 1.045 394 V CA -0.245 62.118 62.300 0.105 0.000 0.938 394 V CB 1.901 33.778 31.823 0.090 0.000 0.986 394 V HN 0.225 nan 8.190 nan 0.000 0.467 395 D N 2.648 123.139 120.400 0.151 0.000 2.162 395 D HA 0.072 4.712 4.640 -0.000 0.000 0.203 395 D C 0.254 176.596 176.300 0.070 0.000 0.967 395 D CA 1.191 55.256 54.000 0.109 0.000 0.840 395 D CB 0.614 41.498 40.800 0.140 0.000 0.972 395 D HN 0.357 nan 8.370 nan 0.000 0.482 396 L N -0.424 120.845 121.223 0.076 0.000 2.482 396 L HA 0.356 4.696 4.340 -0.000 0.000 0.263 396 L C -1.061 175.837 176.870 0.047 0.000 0.957 396 L CA -0.317 54.542 54.840 0.031 0.000 0.836 396 L CB 2.637 44.681 42.059 -0.025 0.000 1.324 396 L HN -0.300 nan 8.230 nan 0.000 0.406 397 T N 4.985 119.558 114.554 0.032 0.000 2.829 397 T HA 0.620 4.970 4.350 -0.000 0.000 0.280 397 T C -0.893 173.819 174.700 0.021 0.000 0.999 397 T CA -0.463 61.664 62.100 0.045 0.000 0.983 397 T CB 0.905 69.810 68.868 0.061 0.000 0.968 397 T HN 0.702 nan 8.240 nan 0.000 0.446 398 M N 5.562 125.184 119.600 0.037 0.000 2.190 398 M HA 0.614 5.094 4.480 -0.000 0.000 0.312 398 M C -1.843 174.488 176.300 0.051 0.000 0.990 398 M CA -0.652 54.661 55.300 0.023 0.000 0.927 398 M CB 0.837 33.444 32.600 0.012 0.000 1.571 398 M HN 0.530 nan 8.290 nan 0.000 0.427 399 L N 3.112 124.363 121.223 0.046 0.000 2.409 399 L HA 0.770 5.110 4.340 -0.000 0.000 0.262 399 L C 0.391 177.294 176.870 0.054 0.000 0.992 399 L CA -1.135 53.741 54.840 0.060 0.000 0.817 399 L CB 2.093 44.193 42.059 0.070 0.000 1.350 399 L HN 0.743 nan 8.230 nan 0.000 0.411 400 G N 0.615 109.452 108.800 0.063 0.000 2.634 400 G HA2 0.649 4.609 3.960 -0.000 0.000 0.255 400 G HA3 0.649 4.609 3.960 -0.000 0.000 0.255 400 G C -0.779 174.158 174.900 0.062 0.000 1.205 400 G CA 0.222 45.357 45.100 0.058 0.000 0.884 400 G HN 0.841 nan 8.290 nan 0.000 0.549 401 A N 0.123 122.972 122.820 0.049 0.000 2.594 401 A HA 0.607 4.927 4.320 -0.000 0.000 0.295 401 A C 0.512 178.115 177.584 0.032 0.000 1.071 401 A CA -0.594 51.471 52.037 0.046 0.000 0.685 401 A CB 1.275 20.291 19.000 0.028 0.000 1.285 401 A HN 0.567 nan 8.150 nan 0.000 0.405 402 M N -0.152 119.466 119.600 0.031 0.000 2.429 402 M HA 0.124 4.604 4.480 -0.000 0.000 0.265 402 M C 0.395 176.693 176.300 -0.003 0.000 1.120 402 M CA 1.250 56.557 55.300 0.011 0.000 1.173 402 M CB 0.149 32.751 32.600 0.003 0.000 1.343 402 M HN 0.731 nan 8.290 nan 0.000 0.464 403 Q N -0.065 119.734 119.800 -0.002 0.000 2.416 403 Q HA 0.647 4.987 4.340 -0.000 0.000 0.281 403 Q C -1.472 174.516 176.000 -0.020 0.000 1.067 403 Q CA -0.743 55.049 55.803 -0.018 0.000 0.809 403 Q CB 3.567 32.296 28.738 -0.015 0.000 1.418 403 Q HN -0.030 nan 8.270 nan 0.000 0.411 404 V N 0.696 120.578 119.914 -0.052 0.000 2.876 404 V HA 0.584 4.703 4.120 -0.000 0.000 0.312 404 V C -0.362 175.683 176.094 -0.082 0.000 1.085 404 V CA -0.765 61.501 62.300 -0.057 0.000 0.945 404 V CB 1.949 33.725 31.823 -0.079 0.000 1.017 404 V HN 0.938 nan 8.190 nan 0.000 0.428 405 S N 2.183 117.849 115.700 -0.057 0.000 2.722 405 S HA 0.420 4.890 4.470 -0.000 0.000 0.292 405 S C 0.980 175.510 174.600 -0.116 0.000 1.135 405 S CA -0.223 57.930 58.200 -0.078 0.000 1.003 405 S CB 1.524 64.707 63.200 -0.027 0.000 1.067 405 S HN 0.904 nan 8.310 nan 0.000 0.546 406 K N -0.100 120.183 120.400 -0.195 0.000 2.113 406 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 406 K C 0.829 177.291 176.600 -0.230 0.000 1.047 406 K CA 1.747 57.868 56.287 -0.277 0.000 0.928 406 K CB -0.656 31.584 32.500 -0.434 0.000 0.716 406 K HN 0.666 nan 8.250 nan 0.000 0.446 407 Y N 0.554 120.848 120.300 -0.010 0.000 2.511 407 Y HA 0.229 4.779 4.550 -0.000 0.000 0.279 407 Y C 1.377 177.281 175.900 0.006 0.000 1.157 407 Y CA 0.198 58.301 58.100 0.005 0.000 1.300 407 Y CB 0.614 39.081 38.460 0.011 0.000 1.052 407 Y HN 0.453 nan 8.280 nan 0.000 0.529 408 G N 0.169 109.032 108.800 0.106 0.000 2.145 408 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.176 408 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.176 408 G C -0.696 174.243 174.900 0.064 0.000 1.013 408 G CA -0.341 44.798 45.100 0.065 0.000 0.689 408 G HN 0.174 nan 8.290 nan 0.000 0.506 409 D N -0.131 120.308 120.400 0.065 0.000 2.345 409 D HA 0.522 5.162 4.640 -0.000 0.000 0.247 409 D C 0.380 176.706 176.300 0.044 0.000 1.108 409 D CA 0.038 54.073 54.000 0.058 0.000 0.894 409 D CB 2.005 42.839 40.800 0.058 0.000 1.203 409 D HN 0.366 nan 8.370 nan 0.000 0.430 410 L N 0.853 122.113 121.223 0.061 0.000 2.365 410 L HA 0.691 5.031 4.340 -0.000 0.000 0.273 410 L C -1.355 175.575 176.870 0.100 0.000 1.000 410 L CA -0.857 54.024 54.840 0.068 0.000 0.819 410 L CB 1.755 43.860 42.059 0.076 0.000 1.284 410 L HN 0.378 nan 8.230 nan 0.000 0.418 411 A N 3.717 126.590 122.820 0.088 0.000 2.332 411 A HA 0.698 5.018 4.320 -0.000 0.000 0.300 411 A C -0.504 177.145 177.584 0.109 0.000 1.153 411 A CA -0.236 51.866 52.037 0.108 0.000 0.764 411 A CB 0.473 19.494 19.000 0.034 0.000 1.174 411 A HN 0.866 nan 8.150 nan 0.000 0.467 412 N N 1.210 120.029 118.700 0.198 0.000 2.261 412 N HA -0.010 4.730 4.740 -0.000 0.000 0.241 412 N C 0.111 175.778 175.510 0.261 0.000 1.374 412 N CA 0.108 53.264 53.050 0.177 0.000 0.802 412 N CB -0.142 38.440 38.487 0.157 0.000 1.339 412 N HN 0.834 nan 8.380 nan 0.000 0.498 413 W N -0.206 121.136 121.300 0.070 0.000 2.520 413 W HA 0.557 5.217 4.660 -0.000 0.000 0.272 413 W C -0.680 175.888 176.519 0.081 0.000 0.984 413 W CA -0.343 57.056 57.345 0.090 0.000 1.314 413 W CB 0.359 29.875 29.460 0.093 0.000 0.945 413 W HN -0.020 nan 8.180 nan 0.000 0.596 414 M N 1.726 121.002 119.600 -0.539 0.000 2.365 414 M HA 0.477 4.957 4.480 -0.000 0.000 0.288 414 M C -2.358 173.718 176.300 -0.374 0.000 1.152 414 M CA -0.438 54.536 55.300 -0.544 0.000 0.948 414 M CB 2.470 34.418 32.600 -1.086 0.000 1.729 414 M HN -0.081 nan 8.290 nan 0.000 0.487 415 I N 5.800 126.241 120.570 -0.215 0.000 2.354 415 I HA 0.395 4.565 4.170 -0.000 0.000 0.286 415 I C -2.192 173.835 176.117 -0.150 0.000 1.007 415 I CA -1.970 59.234 61.300 -0.160 0.000 1.167 415 I CB 1.587 39.526 38.000 -0.101 0.000 1.320 415 I HN 0.461 nan 8.210 nan 0.000 0.458 416 P HA -0.010 nan 4.420 nan 0.000 0.256 416 P C 0.712 177.940 177.300 -0.120 0.000 1.173 416 P CA 0.679 63.713 63.100 -0.110 0.000 0.768 416 P CB 0.333 31.985 31.700 -0.081 0.000 0.758 417 G N 1.800 110.504 108.800 -0.160 0.000 2.272 417 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.280 417 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.280 417 G C 0.549 175.331 174.900 -0.196 0.000 1.067 417 G CA 0.668 45.612 45.100 -0.260 0.000 0.902 417 G HN 0.853 nan 8.290 nan 0.000 0.500 418 K N -1.577 118.732 120.400 -0.152 0.000 3.157 418 K HA 0.693 5.013 4.320 -0.000 0.000 0.227 418 K C 0.628 177.181 176.600 -0.079 0.000 2.067 418 K CA 1.007 57.227 56.287 -0.111 0.000 1.439 418 K CB 0.337 32.783 32.500 -0.090 0.000 2.372 418 K HN 0.776 nan 8.250 nan 0.000 0.557 419 M N 2.205 121.766 119.600 -0.067 0.000 2.022 419 M HA 0.609 5.089 4.480 -0.000 0.000 0.298 419 M C -0.744 175.546 176.300 -0.018 0.000 0.909 419 M CA -0.430 54.852 55.300 -0.031 0.000 0.914 419 M CB 1.584 34.170 32.600 -0.024 0.000 1.486 419 M HN 0.389 nan 8.290 nan 0.000 0.415 420 V N 3.261 123.196 119.914 0.035 0.000 2.759 420 V HA 0.375 4.495 4.120 -0.000 0.000 0.342 420 V C 0.982 177.191 176.094 0.192 0.000 1.228 420 V CA 0.451 62.824 62.300 0.121 0.000 1.302 420 V CB 0.248 32.167 31.823 0.161 0.000 1.496 420 V HN 0.810 nan 8.190 nan 0.000 0.628 421 K N 0.398 120.856 120.400 0.097 0.000 2.432 421 K HA 0.539 4.859 4.320 -0.000 0.000 0.196 421 K C 1.402 177.983 176.600 -0.032 0.000 1.038 421 K CA 1.184 57.435 56.287 -0.059 0.000 0.986 421 K CB -0.514 31.938 32.500 -0.081 0.000 0.782 421 K HN 2.462 nan 8.250 nan 0.000 0.485 422 G N -0.306 108.668 108.800 0.290 0.000 2.730 422 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.686 422 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.686 422 G C 0.564 175.716 174.900 0.420 0.000 1.343 422 G CA 0.032 45.360 45.100 0.380 0.000 0.826 422 G HN 0.808 nan 8.290 nan 0.000 0.582 423 M N 0.780 120.475 119.600 0.159 0.000 2.506 423 M HA 0.316 4.796 4.480 -0.000 0.000 0.260 423 M C 1.695 178.055 176.300 0.100 0.000 1.104 423 M CA 2.143 57.461 55.300 0.029 0.000 1.112 423 M CB -1.723 30.593 32.600 -0.473 0.000 1.401 423 M HN 2.767 nan 8.290 nan 0.000 0.473 424 G N 1.530 110.414 108.800 0.141 0.000 2.614 424 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.303 424 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.303 424 G C 0.720 175.667 174.900 0.078 0.000 1.270 424 G CA 0.634 45.802 45.100 0.113 0.000 0.988 424 G HN 0.800 nan 8.290 nan 0.000 0.551 425 G N 0.077 108.989 108.800 0.187 0.000 2.985 425 G HA2 0.485 4.445 3.960 -0.000 0.000 0.209 425 G HA3 0.485 4.445 3.960 -0.000 0.000 0.209 425 G C 1.715 176.754 174.900 0.231 0.000 1.165 425 G CA 1.774 47.054 45.100 0.299 0.000 0.776 425 G HN 1.619 nan 8.290 nan 0.000 0.541 426 A N 0.841 123.741 122.820 0.134 0.000 1.930 426 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 426 A C 2.335 179.968 177.584 0.081 0.000 1.175 426 A CA 1.261 53.367 52.037 0.115 0.000 0.627 426 A CB -0.282 18.785 19.000 0.113 0.000 0.815 426 A HN 0.389 nan 8.150 nan 0.000 0.443 427 M N -0.440 119.170 119.600 0.015 0.000 2.159 427 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 427 M C 1.385 177.716 176.300 0.052 0.000 1.063 427 M CA 1.537 56.834 55.300 -0.005 0.000 1.110 427 M CB -0.556 31.985 32.600 -0.097 0.000 1.374 427 M HN 0.422 nan 8.290 nan 0.000 0.411 428 D N 0.537 120.991 120.400 0.089 0.000 2.117 428 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 428 D C 2.066 178.482 176.300 0.193 0.000 0.982 428 D CA 1.227 55.328 54.000 0.169 0.000 0.828 428 D CB -0.134 40.837 40.800 0.285 0.000 0.967 428 D HN 0.358 nan 8.370 nan 0.000 0.464 429 L N 1.130 122.472 121.223 0.199 0.000 2.191 429 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 429 L C 2.361 179.293 176.870 0.104 0.000 1.103 429 L CA 0.695 55.625 54.840 0.150 0.000 0.769 429 L CB -0.193 41.951 42.059 0.142 0.000 0.908 429 L HN 0.023 nan 8.230 nan 0.000 0.438 430 V N -4.432 115.538 119.914 0.094 0.000 3.596 430 V HA 0.093 4.213 4.120 -0.000 0.000 0.289 430 V C 1.943 178.076 176.094 0.065 0.000 1.336 430 V CA 0.749 63.093 62.300 0.073 0.000 1.137 430 V CB -0.016 31.849 31.823 0.070 0.000 0.966 430 V HN 0.413 nan 8.190 nan 0.000 0.428 431 S N -0.721 115.023 115.700 0.072 0.000 2.501 431 S HA 0.144 4.614 4.470 -0.000 0.000 0.220 431 S C 1.190 175.812 174.600 0.036 0.000 0.997 431 S CA 0.647 58.880 58.200 0.054 0.000 0.919 431 S CB -0.170 63.072 63.200 0.071 0.000 0.778 431 S HN 0.557 nan 8.310 nan 0.000 0.523 432 S N 0.861 116.589 115.700 0.047 0.000 2.489 432 S HA 0.659 5.129 4.470 -0.000 0.000 0.277 432 S C 1.165 175.777 174.600 0.019 0.000 1.230 432 S CA -0.148 58.071 58.200 0.032 0.000 1.053 432 S CB 0.972 64.191 63.200 0.031 0.000 0.955 432 S HN 0.530 nan 8.310 nan 0.000 0.488 433 A N 5.153 127.979 122.820 0.009 0.000 2.070 433 A HA -0.030 4.290 4.320 -0.000 0.000 0.220 433 A C 1.662 179.249 177.584 0.006 0.000 1.159 433 A CA 1.138 53.179 52.037 0.007 0.000 0.656 433 A CB -0.232 18.769 19.000 0.002 0.000 0.800 433 A HN 0.874 nan 8.150 nan 0.000 0.453 434 K N -0.217 120.183 120.400 -0.002 0.000 2.437 434 K HA 0.106 4.426 4.320 -0.000 0.000 0.198 434 K C -0.635 175.966 176.600 0.002 0.000 1.024 434 K CA 0.254 56.535 56.287 -0.010 0.000 1.148 434 K CB 0.225 32.701 32.500 -0.040 0.000 0.860 434 K HN 0.222 nan 8.250 nan 0.000 0.515 435 T N 1.402 115.965 114.554 0.014 0.000 2.937 435 T HA 0.136 4.486 4.350 -0.000 0.000 0.297 435 T C -0.879 173.836 174.700 0.026 0.000 0.991 435 T CA -0.697 61.418 62.100 0.025 0.000 0.990 435 T CB 2.006 70.895 68.868 0.034 0.000 0.991 435 T HN 0.024 nan 8.240 nan 0.000 0.440 436 K N 2.903 123.315 120.400 0.021 0.000 2.350 436 K HA 0.428 4.748 4.320 -0.000 0.000 0.279 436 K C -0.779 175.828 176.600 0.012 0.000 1.027 436 K CA -0.315 55.979 56.287 0.013 0.000 0.969 436 K CB 0.508 33.007 32.500 -0.001 0.000 0.954 436 K HN 0.314 nan 8.250 nan 0.000 0.474 437 V N 5.458 125.382 119.914 0.016 0.000 2.334 437 V HA 0.219 4.339 4.120 -0.000 0.000 0.281 437 V C -0.544 175.555 176.094 0.008 0.000 1.016 437 V CA -0.864 61.448 62.300 0.019 0.000 0.832 437 V CB 1.501 33.344 31.823 0.035 0.000 0.999 437 V HN 0.494 nan 8.190 nan 0.000 0.439 438 V N 5.995 125.904 119.914 -0.008 0.000 2.398 438 V HA 0.446 4.566 4.120 -0.000 0.000 0.286 438 V C 0.007 176.100 176.094 -0.001 0.000 1.026 438 V CA -0.646 61.644 62.300 -0.017 0.000 0.868 438 V CB 1.949 33.736 31.823 -0.061 0.000 0.982 438 V HN 0.560 nan 8.190 nan 0.000 0.443 439 V N 4.449 124.369 119.914 0.010 0.000 2.439 439 V HA 0.481 4.601 4.120 -0.000 0.000 0.282 439 V C 0.470 176.573 176.094 0.015 0.000 1.039 439 V CA -0.267 62.043 62.300 0.016 0.000 0.913 439 V CB 2.031 33.862 31.823 0.013 0.000 0.983 439 V HN 1.037 nan 8.190 nan 0.000 0.460 440 T N 4.203 118.768 114.554 0.018 0.000 2.809 440 T HA 0.786 5.136 4.350 -0.000 0.000 0.296 440 T C -0.663 174.050 174.700 0.021 0.000 1.015 440 T CA -0.684 61.428 62.100 0.019 0.000 0.954 440 T CB 0.884 69.764 68.868 0.021 0.000 0.950 440 T HN 0.706 nan 8.240 nan 0.000 0.450 441 M N 0.732 120.342 119.600 0.016 0.000 2.618 441 M HA 0.672 5.152 4.480 -0.000 0.000 0.281 441 M C -1.060 175.250 176.300 0.017 0.000 1.267 441 M CA -1.010 54.297 55.300 0.012 0.000 0.845 441 M CB 1.897 34.494 32.600 -0.005 0.000 1.732 441 M HN 0.295 nan 8.290 nan 0.000 0.461 442 E N 0.672 120.884 120.200 0.021 0.000 2.398 442 E HA 0.045 4.395 4.350 -0.000 0.000 0.263 442 E C -0.138 176.498 176.600 0.059 0.000 1.046 442 E CA 0.074 56.499 56.400 0.041 0.000 0.908 442 E CB 1.085 30.806 29.700 0.034 0.000 0.963 442 E HN 0.781 nan 8.360 nan 0.000 0.431 443 H N 1.607 120.693 119.070 0.026 0.000 2.256 443 H HA -0.028 4.528 4.556 -0.000 0.000 0.301 443 H C 0.200 175.558 175.328 0.050 0.000 1.062 443 H CA 1.623 57.701 56.048 0.049 0.000 1.283 443 H CB 0.437 30.241 29.762 0.069 0.000 1.379 443 H HN 0.264 nan 8.280 nan 0.000 0.493 444 S N -0.564 115.266 115.700 0.217 0.000 2.681 444 S HA 0.659 5.129 4.470 -0.000 0.000 0.299 444 S C -0.273 174.361 174.600 0.057 0.000 1.113 444 S CA -0.554 57.723 58.200 0.130 0.000 1.013 444 S CB 1.884 65.165 63.200 0.134 0.000 1.076 444 S HN 0.638 nan 8.310 nan 0.000 0.534 445 A N 1.136 123.971 122.820 0.025 0.000 2.275 445 A HA 0.710 5.030 4.320 -0.000 0.000 0.282 445 A C 0.578 178.162 177.584 0.000 0.000 1.275 445 A CA -0.348 51.694 52.037 0.008 0.000 0.842 445 A CB -0.598 18.401 19.000 -0.002 0.000 1.280 445 A HN 0.990 nan 8.150 nan 0.000 0.508 446 K N -1.096 119.301 120.400 -0.005 0.000 2.440 446 K HA 0.442 4.762 4.320 -0.000 0.000 0.270 446 K C 1.363 177.951 176.600 -0.021 0.000 0.980 446 K CA 0.614 56.895 56.287 -0.010 0.000 0.953 446 K CB -1.027 31.467 32.500 -0.010 0.000 0.925 446 K HN 2.629 nan 8.250 nan 0.000 0.497 447 G N -0.544 108.242 108.800 -0.022 0.000 2.153 447 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.252 447 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.252 447 G C 1.187 176.056 174.900 -0.052 0.000 0.994 447 G CA 1.626 46.706 45.100 -0.033 0.000 0.698 447 G HN 2.633 nan 8.290 nan 0.000 0.521 448 N N -2.300 116.374 118.700 -0.043 0.000 2.765 448 N HA 0.127 4.867 4.740 -0.000 0.000 0.248 448 N C 1.696 177.120 175.510 -0.143 0.000 1.063 448 N CA 2.014 55.026 53.050 -0.063 0.000 0.862 448 N CB -1.607 36.840 38.487 -0.066 0.000 1.145 448 N HN 2.595 nan 8.380 nan 0.000 0.581 449 A N 0.963 123.713 122.820 -0.117 0.000 2.580 449 A HA 0.383 4.703 4.320 -0.000 0.000 0.244 449 A C 0.552 178.079 177.584 -0.096 0.000 1.045 449 A CA 0.191 52.147 52.037 -0.135 0.000 0.761 449 A CB -0.115 18.850 19.000 -0.059 0.000 0.962 449 A HN 0.703 nan 8.150 nan 0.000 0.512 450 H N 2.067 121.147 119.070 0.016 0.000 2.972 450 H HA 0.044 4.600 4.556 -0.000 0.000 0.343 450 H C 0.867 176.180 175.328 -0.025 0.000 1.054 450 H CA 0.742 56.795 56.048 0.007 0.000 1.412 450 H CB 0.793 30.555 29.762 0.001 0.000 1.385 450 H HN 0.758 nan 8.280 nan 0.000 0.600 451 K N 1.870 122.320 120.400 0.082 0.000 2.367 451 K HA 0.187 4.507 4.320 -0.000 0.000 0.198 451 K C 1.012 177.567 176.600 -0.076 0.000 1.132 451 K CA 0.501 56.780 56.287 -0.013 0.000 0.941 451 K CB 0.806 33.278 32.500 -0.048 0.000 1.052 451 K HN 0.476 nan 8.250 nan 0.000 0.507 452 I N 3.370 123.851 120.570 -0.149 0.000 2.352 452 I HA 0.436 4.606 4.170 -0.000 0.000 0.290 452 I C -0.024 175.978 176.117 -0.191 0.000 1.036 452 I CA -0.277 60.884 61.300 -0.233 0.000 1.336 452 I CB -0.348 37.398 38.000 -0.422 0.000 1.407 452 I HN 0.164 nan 8.210 nan 0.000 0.497 453 M N 2.774 122.275 119.600 -0.165 0.000 2.721 453 M HA 0.748 5.228 4.480 -0.000 0.000 0.271 453 M C 0.410 176.632 176.300 -0.130 0.000 1.259 453 M CA -0.044 55.172 55.300 -0.140 0.000 0.835 453 M CB 1.019 33.581 32.600 -0.064 0.000 1.689 453 M HN 0.641 nan 8.290 nan 0.000 0.470 454 E N 0.105 120.238 120.200 -0.112 0.000 2.077 454 E HA 0.220 4.570 4.350 -0.000 0.000 0.193 454 E C 0.791 177.346 176.600 -0.075 0.000 0.989 454 E CA 2.346 58.679 56.400 -0.112 0.000 0.800 454 E CB -0.302 29.348 29.700 -0.082 0.000 0.746 454 E HN 0.884 nan 8.360 nan 0.000 0.452 455 K N -0.811 119.564 120.400 -0.041 0.000 2.525 455 K HA 0.591 4.911 4.320 -0.000 0.000 0.254 455 K C -0.507 176.086 176.600 -0.011 0.000 0.934 455 K CA -0.151 56.129 56.287 -0.012 0.000 0.802 455 K CB 0.408 32.911 32.500 0.005 0.000 1.295 455 K HN 0.460 nan 8.250 nan 0.000 0.433 456 C N 2.344 121.641 119.300 -0.004 0.000 2.676 456 C HA 0.354 4.814 4.460 -0.000 0.000 0.416 456 C C 2.194 177.180 174.990 -0.007 0.000 1.299 456 C CA 0.642 59.656 59.018 -0.005 0.000 2.048 456 C CB 0.431 28.174 27.740 0.004 0.000 2.713 456 C HN 0.964 nan 8.230 nan 0.000 0.624 457 T N -0.655 113.891 114.554 -0.014 0.000 2.990 457 T HA 0.235 4.585 4.350 -0.000 0.000 0.250 457 T C 0.270 174.948 174.700 -0.037 0.000 1.041 457 T CA 0.155 62.243 62.100 -0.020 0.000 1.010 457 T CB -0.069 68.788 68.868 -0.018 0.000 1.003 457 T HN 0.523 nan 8.240 nan 0.000 0.499 458 L N 2.027 123.222 121.223 -0.047 0.000 2.357 458 L HA 0.502 4.842 4.340 -0.000 0.000 0.273 458 L C -2.426 174.394 176.870 -0.083 0.000 1.080 458 L CA -2.786 52.001 54.840 -0.089 0.000 0.803 458 L CB 0.672 42.670 42.059 -0.102 0.000 1.174 458 L HN -0.111 nan 8.230 nan 0.000 0.443 459 P HA -0.010 nan 4.420 nan 0.000 0.263 459 P C -0.582 176.773 177.300 0.092 0.000 1.175 459 P CA 0.146 63.212 63.100 -0.057 0.000 0.761 459 P CB 0.250 31.817 31.700 -0.220 0.000 0.794 460 L N 2.664 124.000 121.223 0.188 0.000 2.453 460 L HA 0.027 4.367 4.340 -0.000 0.000 0.272 460 L C 1.613 178.742 176.870 0.431 0.000 1.182 460 L CA 0.312 55.289 54.840 0.228 0.000 0.858 460 L CB -0.121 42.009 42.059 0.117 0.000 1.120 460 L HN 0.442 nan 8.230 nan 0.000 0.474 461 T N 0.998 115.769 114.554 0.362 0.000 3.009 461 T HA 0.140 4.490 4.350 -0.000 0.000 0.258 461 T C 0.637 175.392 174.700 0.091 0.000 1.063 461 T CA 0.763 62.993 62.100 0.218 0.000 1.139 461 T CB 0.320 69.331 68.868 0.239 0.000 0.890 461 T HN 0.839 nan 8.240 nan 0.000 0.471 462 G N 0.252 109.112 108.800 0.100 0.000 2.673 462 G HA2 0.571 4.531 3.960 -0.000 0.000 0.292 462 G HA3 0.571 4.531 3.960 -0.000 0.000 0.292 462 G C -1.940 172.996 174.900 0.060 0.000 1.450 462 G CA -0.723 44.416 45.100 0.065 0.000 0.837 462 G HN 0.026 nan 8.290 nan 0.000 0.505 463 K N 0.732 121.161 120.400 0.049 0.000 2.274 463 K HA 0.395 4.714 4.320 -0.000 0.000 0.262 463 K C -0.025 176.617 176.600 0.070 0.000 0.961 463 K CA -0.445 55.870 56.287 0.047 0.000 0.833 463 K CB 0.877 33.381 32.500 0.006 0.000 1.102 463 K HN 0.643 nan 8.250 nan 0.000 0.436 464 Q N 1.526 121.373 119.800 0.078 0.000 2.447 464 Q HA -0.234 4.106 4.340 -0.000 0.000 0.348 464 Q C 0.205 176.248 176.000 0.071 0.000 1.421 464 Q CA 0.728 56.581 55.803 0.085 0.000 0.978 464 Q CB -1.903 26.877 28.738 0.070 0.000 1.191 464 Q HN 0.858 nan 8.270 nan 0.000 0.371 465 C N -4.380 114.960 119.300 0.066 0.000 3.911 465 C HA 0.448 4.907 4.460 -0.000 0.000 0.318 465 C C 0.618 175.639 174.990 0.051 0.000 1.643 465 C CA -0.336 58.717 59.018 0.058 0.000 1.845 465 C CB 0.101 27.877 27.740 0.060 0.000 2.981 465 C HN 0.264 nan 8.230 nan 0.000 0.656 466 V N 3.720 123.664 119.914 0.049 0.000 2.432 466 V HA 0.282 4.402 4.120 -0.000 0.000 0.275 466 V C 0.503 176.622 176.094 0.041 0.000 1.043 466 V CA 0.557 62.881 62.300 0.039 0.000 0.925 466 V CB 1.100 32.940 31.823 0.028 0.000 0.985 466 V HN 0.444 nan 8.190 nan 0.000 0.466 467 N N 3.092 121.814 118.700 0.035 0.000 2.395 467 N HA 0.125 4.864 4.740 -0.000 0.000 0.175 467 N C 0.557 176.093 175.510 0.042 0.000 1.029 467 N CA 0.276 53.348 53.050 0.037 0.000 0.897 467 N CB 0.297 38.800 38.487 0.026 0.000 0.991 467 N HN 0.689 nan 8.380 nan 0.000 0.441 468 R N 0.203 120.726 120.500 0.038 0.000 2.604 468 R HA 0.372 4.712 4.340 -0.000 0.000 0.261 468 R C -2.137 174.195 176.300 0.054 0.000 1.080 468 R CA -0.471 55.661 56.100 0.053 0.000 0.917 468 R CB 0.844 31.163 30.300 0.031 0.000 1.252 468 R HN -0.098 nan 8.270 nan 0.000 0.456 469 I N 5.227 125.858 120.570 0.102 0.000 2.406 469 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 469 I C -0.235 175.959 176.117 0.129 0.000 0.999 469 I CA -0.892 60.467 61.300 0.098 0.000 1.124 469 I CB 1.948 39.997 38.000 0.082 0.000 1.289 469 I HN 0.453 nan 8.210 nan 0.000 0.441 470 I N 5.931 126.544 120.570 0.072 0.000 2.330 470 I HA 0.325 4.495 4.170 -0.000 0.000 0.289 470 I C 0.468 176.626 176.117 0.069 0.000 1.001 470 I CA -0.180 61.157 61.300 0.063 0.000 1.193 470 I CB 1.622 39.635 38.000 0.022 0.000 1.345 470 I HN 0.648 nan 8.210 nan 0.000 0.461 471 T N 1.103 115.726 114.554 0.115 0.000 2.841 471 T HA 0.281 4.631 4.350 -0.000 0.000 0.276 471 T C 0.929 175.678 174.700 0.082 0.000 1.003 471 T CA -0.612 61.565 62.100 0.129 0.000 0.995 471 T CB 1.667 70.704 68.868 0.281 0.000 1.260 471 T HN 0.610 nan 8.240 nan 0.000 0.581 472 E N 0.026 120.261 120.200 0.058 0.000 2.285 472 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 472 E C 1.809 178.380 176.600 -0.048 0.000 0.997 472 E CA 1.271 57.620 56.400 -0.085 0.000 0.845 472 E CB -0.551 29.072 29.700 -0.127 0.000 0.782 472 E HN 0.780 nan 8.360 nan 0.000 0.491 473 K N 1.099 121.550 120.400 0.085 0.000 2.334 473 K HA 0.573 4.893 4.320 -0.000 0.000 0.195 473 K C 1.098 177.757 176.600 0.098 0.000 1.045 473 K CA 0.830 57.157 56.287 0.066 0.000 1.004 473 K CB 0.456 32.833 32.500 -0.205 0.000 0.837 473 K HN 0.474 nan 8.250 nan 0.000 0.510 474 A N -1.480 121.404 122.820 0.106 0.000 2.467 474 A HA 0.666 4.986 4.320 -0.000 0.000 0.301 474 A C -1.764 175.760 177.584 -0.100 0.000 1.126 474 A CA -0.025 51.965 52.037 -0.079 0.000 0.632 474 A CB 0.880 19.675 19.000 -0.343 0.000 1.331 474 A HN 0.410 nan 8.150 nan 0.000 0.482 475 V N -0.203 119.524 119.914 -0.312 0.000 2.841 475 V HA 0.717 4.837 4.120 -0.000 0.000 0.310 475 V C -1.595 174.256 176.094 -0.404 0.000 1.090 475 V CA -0.289 61.897 62.300 -0.191 0.000 0.930 475 V CB 1.608 33.383 31.823 -0.080 0.000 1.014 475 V HN 0.709 nan 8.190 nan 0.000 0.425 476 F N 1.424 121.345 119.950 -0.048 0.000 2.536 476 F HA 0.489 5.017 4.527 0.000 0.000 0.322 476 F C 0.208 175.988 175.800 -0.034 0.000 1.144 476 F CA -0.717 57.244 58.000 -0.066 0.000 0.924 476 F CB 1.679 40.618 39.000 -0.101 0.000 1.181 476 F HN 0.411 nan 8.300 nan 0.000 0.438 477 D N 2.154 122.641 120.400 0.145 0.000 2.362 477 D HA 0.448 5.088 4.640 -0.000 0.000 0.242 477 D C -0.597 175.781 176.300 0.130 0.000 1.132 477 D CA 0.304 54.370 54.000 0.110 0.000 0.907 477 D CB 1.878 42.724 40.800 0.076 0.000 1.195 477 D HN 0.139 nan 8.370 nan 0.000 0.429 478 V N 1.695 121.666 119.914 0.096 0.000 2.623 478 V HA 0.243 4.363 4.120 -0.000 0.000 0.304 478 V C -0.593 175.558 176.094 0.094 0.000 1.054 478 V CA -0.844 61.508 62.300 0.086 0.000 0.882 478 V CB 2.190 34.047 31.823 0.057 0.000 1.002 478 V HN 0.433 nan 8.190 nan 0.000 0.424 479 D N 3.195 123.668 120.400 0.123 0.000 2.481 479 D HA 0.655 5.295 4.640 -0.000 0.000 0.244 479 D C 0.855 177.269 176.300 0.191 0.000 1.057 479 D CA 0.016 54.094 54.000 0.130 0.000 0.848 479 D CB 2.334 43.205 40.800 0.118 0.000 1.388 479 D HN 0.484 nan 8.370 nan 0.000 0.475 480 K N 1.846 122.313 120.400 0.113 0.000 2.148 480 K HA -0.008 4.312 4.320 -0.000 0.000 0.204 480 K C 1.806 178.360 176.600 -0.076 0.000 1.050 480 K CA 2.108 58.424 56.287 0.048 0.000 0.942 480 K CB -0.967 31.538 32.500 0.008 0.000 0.724 480 K HN 0.484 nan 8.250 nan 0.000 0.446 481 K N -0.174 120.225 120.400 -0.001 0.000 2.286 481 K HA 0.304 4.624 4.320 -0.000 0.000 0.203 481 K C 2.636 179.326 176.600 0.151 0.000 1.078 481 K CA 1.264 57.531 56.287 -0.033 0.000 0.957 481 K CB -0.886 31.606 32.500 -0.014 0.000 1.018 481 K HN 0.564 nan 8.250 nan 0.000 0.484 482 K N 0.200 120.702 120.400 0.170 0.000 2.155 482 K HA 0.413 4.733 4.320 -0.000 0.000 0.203 482 K C 1.881 178.616 176.600 0.225 0.000 1.052 482 K CA 1.893 58.286 56.287 0.177 0.000 0.948 482 K CB -0.943 31.627 32.500 0.117 0.000 0.728 482 K HN 1.681 nan 8.250 nan 0.000 0.448 483 G N -1.308 107.651 108.800 0.265 0.000 2.443 483 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.209 483 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.209 483 G C -0.487 174.463 174.900 0.084 0.000 1.176 483 G CA -0.190 44.968 45.100 0.097 0.000 1.074 483 G HN 0.515 nan 8.290 nan 0.000 0.577 484 L N 1.648 122.912 121.223 0.068 0.000 2.421 484 L HA 0.728 5.068 4.340 -0.000 0.000 0.263 484 L C 1.018 178.019 176.870 0.217 0.000 1.122 484 L CA 0.265 55.186 54.840 0.135 0.000 0.804 484 L CB 1.412 43.543 42.059 0.120 0.000 1.150 484 L HN 1.352 nan 8.230 nan 0.000 0.457 485 T N 2.178 116.874 114.554 0.236 0.000 3.187 485 T HA 0.394 4.744 4.350 -0.000 0.000 0.328 485 T C -0.736 174.044 174.700 0.134 0.000 0.951 485 T CA -0.528 61.697 62.100 0.208 0.000 1.049 485 T CB 0.578 69.526 68.868 0.134 0.000 1.015 485 T HN 0.313 nan 8.240 nan 0.000 0.461 486 L N 5.056 126.319 121.223 0.068 0.000 2.513 486 L HA 0.460 4.799 4.340 -0.000 0.000 0.272 486 L C 1.218 177.998 176.870 -0.149 0.000 1.187 486 L CA 0.364 55.031 54.840 -0.289 0.000 0.895 486 L CB 0.140 41.941 42.059 -0.429 0.000 1.147 486 L HN 0.752 nan 8.230 nan 0.000 0.483 487 I N -0.142 120.312 120.570 -0.193 0.000 4.124 487 I HA 0.414 4.584 4.170 -0.000 0.000 0.311 487 I C 0.224 176.280 176.117 -0.102 0.000 1.259 487 I CA -0.184 61.058 61.300 -0.097 0.000 1.315 487 I CB 0.232 38.200 38.000 -0.053 0.000 1.223 487 I HN 0.533 nan 8.210 nan 0.000 0.441 488 E N 1.346 121.456 120.200 -0.150 0.000 2.410 488 E HA 0.727 5.077 4.350 -0.000 0.000 0.269 488 E C -1.746 174.773 176.600 -0.135 0.000 0.937 488 E CA -0.914 55.426 56.400 -0.101 0.000 0.793 488 E CB 3.263 32.934 29.700 -0.049 0.000 1.314 488 E HN 0.102 nan 8.360 nan 0.000 0.447 489 L N 0.943 122.134 121.223 -0.053 0.000 2.641 489 L HA 0.302 4.642 4.340 -0.000 0.000 0.261 489 L C -1.479 175.426 176.870 0.057 0.000 0.926 489 L CA -0.321 54.501 54.840 -0.029 0.000 0.917 489 L CB 1.294 43.315 42.059 -0.062 0.000 1.361 489 L HN 0.733 nan 8.230 nan 0.000 0.417 497 D N -0.036 120.427 120.400 0.105 0.000 2.338 497 D HA 0.106 4.746 4.640 -0.000 0.000 0.224 497 D C 2.539 178.894 176.300 0.092 0.000 0.967 497 D CA 1.178 55.224 54.000 0.077 0.000 0.896 497 D CB 0.675 41.503 40.800 0.046 0.000 1.028 497 D HN 0.340 nan 8.370 nan 0.000 0.493 498 V N 2.006 121.991 119.914 0.118 0.000 2.231 498 V HA -0.349 3.771 4.120 -0.000 0.000 0.248 498 V C 3.030 179.300 176.094 0.295 0.000 1.054 498 V CA 3.061 65.456 62.300 0.159 0.000 1.015 498 V CB -1.319 30.602 31.823 0.163 0.000 0.638 498 V HN 0.324 nan 8.190 nan 0.000 0.444 499 Q N 0.072 120.123 119.800 0.419 0.000 2.165 499 Q HA -0.446 3.894 4.340 -0.000 0.000 0.215 499 Q C 2.234 178.380 176.000 0.243 0.000 1.010 499 Q CA 4.121 60.145 55.803 0.369 0.000 0.896 499 Q CB -1.395 27.456 28.738 0.187 0.000 0.956 499 Q HN 0.811 nan 8.270 nan 0.000 0.413 500 K N -0.452 120.061 120.400 0.190 0.000 2.366 500 K HA 0.267 4.587 4.320 -0.000 0.000 0.198 500 K C 1.842 178.582 176.600 0.234 0.000 1.044 500 K CA 1.256 57.645 56.287 0.170 0.000 0.973 500 K CB 0.056 32.621 32.500 0.108 0.000 0.767 500 K HN 0.534 nan 8.250 nan 0.000 0.475 501 S N 0.811 116.666 115.700 0.258 0.000 2.664 501 S HA 0.181 4.651 4.470 -0.000 0.000 0.245 501 S C -0.490 174.445 174.600 0.558 0.000 1.019 501 S CA -0.260 58.148 58.200 0.347 0.000 0.996 501 S CB 0.689 63.985 63.200 0.161 0.000 0.878 501 S HN 0.525 nan 8.310 nan 0.000 0.493 502 T N 0.964 115.751 114.554 0.389 0.000 2.847 502 T HA 0.378 4.728 4.350 -0.000 0.000 0.291 502 T C 0.838 175.264 174.700 -0.457 0.000 0.998 502 T CA -0.678 61.474 62.100 0.086 0.000 0.967 502 T CB 1.567 70.562 68.868 0.211 0.000 0.954 502 T HN 0.174 nan 8.240 nan 0.000 0.441 503 G N 1.496 109.630 108.800 -1.111 0.000 3.340 503 G HA2 0.376 4.336 3.960 -0.000 0.000 0.240 503 G HA3 0.376 4.336 3.960 -0.000 0.000 0.240 503 G C 0.572 175.262 174.900 -0.349 0.000 1.327 503 G CA -0.117 44.357 45.100 -1.043 0.000 1.170 503 G HN 1.027 nan 8.290 nan 0.000 0.520 504 C N -3.505 115.674 119.300 -0.203 0.000 3.320 504 C HA 0.821 5.281 4.460 -0.000 0.000 0.335 504 C C 0.185 175.177 174.990 0.005 0.000 1.430 504 C CA -0.460 58.498 59.018 -0.098 0.000 1.271 504 C CB 1.000 28.668 27.740 -0.120 0.000 1.609 504 C HN 0.473 nan 8.230 nan 0.000 0.457 505 D N -0.323 120.050 120.400 -0.045 0.000 2.344 505 D HA 0.737 5.377 4.640 -0.000 0.000 0.244 505 D C -0.689 175.618 176.300 0.012 0.000 1.134 505 D CA 0.640 54.569 54.000 -0.119 0.000 0.930 505 D CB 0.656 41.368 40.800 -0.147 0.000 1.175 505 D HN 1.435 nan 8.370 nan 0.000 0.437 506 F N -2.392 117.564 119.950 0.009 0.000 3.129 506 F HA 0.801 5.328 4.527 -0.000 0.000 0.326 506 F C -0.643 175.190 175.800 0.056 0.000 1.202 506 F CA -1.141 56.885 58.000 0.043 0.000 0.929 506 F CB 1.258 40.335 39.000 0.128 0.000 1.473 506 F HN 0.669 nan 8.300 nan 0.000 0.512 507 A N 0.993 124.051 122.820 0.396 0.000 2.411 507 A HA 0.665 4.985 4.320 -0.000 0.000 0.285 507 A C -1.518 176.242 177.584 0.294 0.000 1.129 507 A CA -0.765 51.408 52.037 0.227 0.000 0.736 507 A CB 0.839 19.919 19.000 0.134 0.000 1.186 507 A HN 0.746 nan 8.150 nan 0.000 0.445 508 V N 2.676 122.744 119.914 0.255 0.000 2.479 508 V HA 0.220 4.340 4.120 -0.000 0.000 0.281 508 V C 1.312 177.467 176.094 0.102 0.000 1.031 508 V CA 0.265 62.680 62.300 0.192 0.000 1.038 508 V CB 0.950 32.871 31.823 0.165 0.000 0.981 508 V HN 1.008 nan 8.190 nan 0.000 0.478 509 S N 6.881 122.625 115.700 0.073 0.000 2.558 509 S HA 0.134 4.604 4.470 -0.000 0.000 0.288 509 S C -1.041 173.578 174.600 0.032 0.000 1.318 509 S CA -0.687 57.540 58.200 0.046 0.000 1.056 509 S CB 0.885 64.102 63.200 0.028 0.000 0.853 509 S HN 0.650 nan 8.310 nan 0.000 0.505 510 P HA 0.092 nan 4.420 nan 0.000 0.220 510 P C 0.263 177.569 177.300 0.011 0.000 1.148 510 P CA 1.290 64.401 63.100 0.018 0.000 0.803 510 P CB -0.136 31.574 31.700 0.017 0.000 0.782 511 K N 0.632 121.038 120.400 0.009 0.000 2.333 511 K HA 0.249 4.569 4.320 -0.000 0.000 0.241 511 K C -0.362 176.236 176.600 -0.003 0.000 1.193 511 K CA -0.475 55.813 56.287 0.002 0.000 1.142 511 K CB -1.352 31.150 32.500 0.003 0.000 1.731 511 K HN 0.021 nan 8.250 nan 0.000 0.344 512 L N 1.814 123.034 121.223 -0.005 0.000 2.288 512 L HA 0.670 5.010 4.340 -0.000 0.000 0.283 512 L C 0.636 177.492 176.870 -0.023 0.000 1.072 512 L CA -0.178 54.652 54.840 -0.016 0.000 0.862 512 L CB 0.572 42.626 42.059 -0.008 0.000 1.245 512 L HN 0.691 nan 8.230 nan 0.000 0.432 513 M N 5.027 124.610 119.600 -0.027 0.000 2.159 513 M HA 0.674 5.154 4.480 -0.000 0.000 0.293 513 M C -2.204 174.073 176.300 -0.038 0.000 1.186 513 M CA -1.330 53.954 55.300 -0.028 0.000 1.073 513 M CB -1.060 31.528 32.600 -0.020 0.000 1.419 513 M HN 0.500 nan 8.290 nan 0.000 0.490 514 P HA 0.438 nan 4.420 nan 0.000 0.274 514 P C -0.608 176.687 177.300 -0.009 0.000 1.246 514 P CA -0.631 62.434 63.100 -0.057 0.000 0.795 514 P CB 0.322 31.963 31.700 -0.099 0.000 1.006 515 M N 1.559 121.187 119.600 0.046 0.000 2.184 515 M HA 0.094 4.574 4.480 -0.000 0.000 0.351 515 M C -0.065 176.339 176.300 0.173 0.000 1.395 515 M CA 0.173 55.559 55.300 0.144 0.000 1.117 515 M CB -0.018 32.760 32.600 0.297 0.000 1.708 515 M HN 0.260 nan 8.290 nan 0.000 0.468 516 Q N 3.102 122.967 119.800 0.108 0.000 2.492 516 Q HA 0.203 4.543 4.340 -0.000 0.000 0.238 516 Q C -0.888 175.192 176.000 0.132 0.000 1.045 516 Q CA 0.007 55.868 55.803 0.097 0.000 0.934 516 Q CB 0.622 29.393 28.738 0.055 0.000 1.276 516 Q HN 0.577 nan 8.270 nan 0.000 0.521 517 Q N 0.999 120.866 119.800 0.112 0.000 2.280 517 Q HA 0.306 4.646 4.340 -0.000 0.000 0.259 517 Q C -1.003 175.039 176.000 0.070 0.000 0.964 517 Q CA -0.388 55.477 55.803 0.102 0.000 0.844 517 Q CB 2.037 30.868 28.738 0.155 0.000 1.334 517 Q HN 0.696 nan 8.270 nan 0.000 0.423 518 I N 1.716 122.319 120.570 0.054 0.000 2.932 518 I HA 0.034 4.204 4.170 -0.000 0.000 0.295 518 I C 0.424 176.564 176.117 0.038 0.000 1.227 518 I CA 0.374 61.701 61.300 0.044 0.000 1.429 518 I CB 0.691 38.718 38.000 0.044 0.000 1.339 518 I HN 0.784 nan 8.210 nan 0.000 0.589 519 A N 0.000 122.838 122.820 0.030 0.000 2.254 519 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 519 A CA 0.000 52.052 52.037 0.025 0.000 0.836 519 A CB 0.000 19.012 19.000 0.019 0.000 0.831 519 A HN 0.000 nan 8.150 nan 0.000 0.486