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 1rp4_1_A DATA FIRST_RESID 54 DATA SEQUENCE GSFNELNAIN ENIRDDLSAL LKSDFFKYFR LDLYKQcSFW DANDGLcLNR DATA SEQUENCE AcSVDVVEDW DTLPEYWQPE ILGSFNNDTX KEADDSDDEc KFLDQLcQTS DATA SEQUENCE KKPVDIEDTI NYcDVNDFNG KNAVLIDLTA NPERFTGYGG KQAGQIWSTI DATA SEQUENCE YQDNCFTIGE TGESLAKDAF YRLVSGFHAS IGTHLSKEYL NTKTGKWEPN DATA SEQUENCE LDLFXARIGN FPDRVTNXYF NYAVVAKALW KIQPYLPEFS FcDLVNKEIK DATA SEQUENCE NKXDNVISQL DTKIFNEDLV FANDLSLTLK DEFRSRFKNV TKIXDcVQCD DATA SEQUENCE RCRLWGKIQT TGYATALKIL FEINDADEFT KQHIVGKLTK YELIALLQTF DATA SEQUENCE GRLSESIESV NXFEKXYGKR LLER 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 54 G HA2 0.000 nan 3.960 nan 0.000 0.244 54 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 54 G C 0.000 174.880 174.900 -0.033 0.000 0.946 54 G CA 0.000 45.036 45.100 -0.106 0.000 0.502 55 S N 0.284 115.977 115.700 -0.011 0.000 2.527 55 S HA 0.243 4.713 4.470 -0.001 0.000 0.222 55 S C 1.779 176.530 174.600 0.251 0.000 0.985 55 S CA 0.482 58.749 58.200 0.111 0.000 0.921 55 S CB -0.368 62.920 63.200 0.146 0.000 0.772 55 S HN 0.048 nan 8.310 nan 0.000 0.529 56 F N 3.085 122.932 119.950 -0.171 0.000 2.259 56 F HA 0.178 4.705 4.527 -0.001 0.000 0.298 56 F C 2.314 178.082 175.800 -0.055 0.000 1.088 56 F CA -0.357 57.450 58.000 -0.322 0.000 1.358 56 F CB -1.141 37.529 39.000 -0.549 0.000 1.040 56 F HN 0.252 nan 8.300 nan 0.000 0.505 57 N N 0.402 119.192 118.700 0.149 0.000 2.084 57 N HA -0.216 4.523 4.740 -0.001 0.000 0.190 57 N C 1.971 177.529 175.510 0.079 0.000 1.030 57 N CA 1.483 54.587 53.050 0.089 0.000 0.849 57 N CB -0.478 38.033 38.487 0.040 0.000 1.012 57 N HN 0.409 nan 8.380 nan 0.000 0.423 58 E N 1.037 121.280 120.200 0.071 0.000 2.047 58 E HA -0.062 4.287 4.350 -0.001 0.000 0.191 58 E C 2.224 178.862 176.600 0.064 0.000 0.987 58 E CA 0.559 56.984 56.400 0.041 0.000 0.799 58 E CB -0.020 29.682 29.700 0.004 0.000 0.752 58 E HN 0.220 nan 8.360 nan 0.000 0.449 59 L N 1.366 122.663 121.223 0.124 0.000 2.042 59 L HA -0.207 4.133 4.340 -0.001 0.000 0.210 59 L C 2.705 179.581 176.870 0.011 0.000 1.076 59 L CA 1.198 56.117 54.840 0.131 0.000 0.749 59 L CB -0.689 41.514 42.059 0.240 0.000 0.893 59 L HN 0.339 nan 8.230 nan 0.000 0.432 60 N N 0.551 119.297 118.700 0.076 0.000 2.244 60 N HA -0.142 4.597 4.740 -0.001 0.000 0.183 60 N C 1.786 177.293 175.510 -0.006 0.000 1.016 60 N CA 1.275 54.321 53.050 -0.005 0.000 0.866 60 N CB 0.234 38.778 38.487 0.095 0.000 0.980 60 N HN 0.302 nan 8.380 nan 0.000 0.430 61 A N 1.525 124.361 122.820 0.027 0.000 1.873 61 A HA -0.033 4.286 4.320 -0.001 0.000 0.215 61 A C 2.371 179.973 177.584 0.030 0.000 1.186 61 A CA 0.832 52.882 52.037 0.022 0.000 0.616 61 A CB -0.647 18.366 19.000 0.022 0.000 0.823 61 A HN 0.324 nan 8.150 nan 0.000 0.442 62 I N -0.131 120.470 120.570 0.052 0.000 2.208 62 I HA -0.282 3.888 4.170 -0.001 0.000 0.245 62 I C 2.375 178.566 176.117 0.123 0.000 1.097 62 I CA 1.831 63.189 61.300 0.098 0.000 1.363 62 I CB -0.428 37.667 38.000 0.158 0.000 1.051 62 I HN 0.418 nan 8.210 nan 0.000 0.413 63 N N 0.569 119.317 118.700 0.079 0.000 2.309 63 N HA -0.174 4.566 4.740 -0.001 0.000 0.182 63 N C 1.763 177.269 175.510 -0.006 0.000 1.018 63 N CA 0.993 54.064 53.050 0.036 0.000 0.876 63 N CB 0.094 38.468 38.487 -0.189 0.000 0.972 63 N HN 0.199 nan 8.380 nan 0.000 0.434 64 E N 0.260 120.453 120.200 -0.012 0.000 2.106 64 E HA -0.076 4.274 4.350 -0.001 0.000 0.192 64 E C 1.205 177.808 176.600 0.005 0.000 0.984 64 E CA 0.702 57.093 56.400 -0.015 0.000 0.806 64 E CB -0.298 29.395 29.700 -0.012 0.000 0.750 64 E HN 0.516 nan 8.360 nan 0.000 0.458 65 N N 0.992 119.707 118.700 0.026 0.000 2.270 65 N HA -0.100 4.639 4.740 -0.001 0.000 0.181 65 N C 2.028 177.565 175.510 0.046 0.000 1.016 65 N CA 0.961 54.032 53.050 0.035 0.000 0.870 65 N CB -0.112 38.401 38.487 0.044 0.000 0.979 65 N HN 0.304 nan 8.380 nan 0.000 0.431 66 I N -1.738 118.872 120.570 0.066 0.000 3.645 66 I HA 0.218 4.388 4.170 -0.001 0.000 0.300 66 I C 2.023 178.164 176.117 0.041 0.000 1.260 66 I CA 0.246 61.593 61.300 0.078 0.000 1.365 66 I CB -0.238 37.851 38.000 0.148 0.000 1.077 66 I HN -0.197 nan 8.210 nan 0.000 0.439 67 R N 2.034 122.540 120.500 0.011 0.000 2.162 67 R HA -0.260 4.079 4.340 -0.001 0.000 0.245 67 R C 1.480 177.767 176.300 -0.021 0.000 1.129 67 R CA 2.727 58.810 56.100 -0.027 0.000 0.940 67 R CB -0.792 29.480 30.300 -0.047 0.000 0.875 67 R HN 0.481 nan 8.270 nan 0.000 0.437 68 D N 0.122 120.516 120.400 -0.009 0.000 2.149 68 D HA -0.107 4.532 4.640 -0.001 0.000 0.201 68 D C 1.561 177.865 176.300 0.007 0.000 0.972 68 D CA 0.929 54.926 54.000 -0.005 0.000 0.835 68 D CB -0.296 40.502 40.800 -0.003 0.000 0.966 68 D HN 0.310 nan 8.370 nan 0.000 0.476 69 D N 0.551 120.962 120.400 0.019 0.000 2.144 69 D HA -0.107 4.533 4.640 -0.001 0.000 0.200 69 D C 2.204 178.520 176.300 0.027 0.000 0.978 69 D CA 0.259 54.276 54.000 0.028 0.000 0.833 69 D CB -0.081 40.743 40.800 0.040 0.000 0.961 69 D HN 0.144 nan 8.370 nan 0.000 0.470 70 L N 0.589 121.825 121.223 0.022 0.000 2.056 70 L HA -0.088 4.252 4.340 -0.001 0.000 0.207 70 L C 2.286 179.148 176.870 -0.013 0.000 1.078 70 L CA 1.456 56.301 54.840 0.009 0.000 0.749 70 L CB -0.771 41.290 42.059 0.003 0.000 0.901 70 L HN -0.135 nan 8.230 nan 0.000 0.433 71 S N -0.677 115.015 115.700 -0.013 0.000 2.356 71 S HA -0.189 4.280 4.470 -0.001 0.000 0.223 71 S C 2.172 176.779 174.600 0.011 0.000 1.032 71 S CA 1.337 59.531 58.200 -0.010 0.000 1.005 71 S CB -0.498 62.693 63.200 -0.016 0.000 0.867 71 S HN 0.651 nan 8.310 nan 0.000 0.449 72 A N 1.341 124.172 122.820 0.019 0.000 1.902 72 A HA -0.003 4.317 4.320 -0.001 0.000 0.217 72 A C 2.153 179.775 177.584 0.063 0.000 1.181 72 A CA 1.661 53.721 52.037 0.037 0.000 0.623 72 A CB -0.915 18.107 19.000 0.036 0.000 0.818 72 A HN 0.559 nan 8.150 nan 0.000 0.443 73 L N -0.074 121.183 121.223 0.055 0.000 2.017 73 L HA -0.091 4.248 4.340 -0.001 0.000 0.208 73 L C 2.209 179.150 176.870 0.118 0.000 1.073 73 L CA 1.732 56.626 54.840 0.089 0.000 0.745 73 L CB -0.701 41.362 42.059 0.007 0.000 0.894 73 L HN 0.405 nan 8.230 nan 0.000 0.432 74 L N -0.823 120.413 121.223 0.022 0.000 2.353 74 L HA -0.204 4.135 4.340 -0.001 0.000 0.220 74 L C 2.168 179.109 176.870 0.119 0.000 1.133 74 L CA 1.062 55.932 54.840 0.050 0.000 0.798 74 L CB -0.477 41.585 42.059 0.006 0.000 0.922 74 L HN 0.287 nan 8.230 nan 0.000 0.445 75 K N -0.428 120.031 120.400 0.098 0.000 2.393 75 K HA 0.051 4.371 4.320 -0.001 0.000 0.193 75 K C 1.087 177.747 176.600 0.099 0.000 1.026 75 K CA 0.037 56.368 56.287 0.073 0.000 1.064 75 K CB 0.268 32.796 32.500 0.047 0.000 0.833 75 K HN 0.294 nan 8.250 nan 0.000 0.521 76 S N 0.854 116.660 115.700 0.178 0.000 2.576 76 S HA -0.077 4.392 4.470 -0.001 0.000 0.272 76 S C 1.036 175.758 174.600 0.203 0.000 1.352 76 S CA -0.443 57.880 58.200 0.204 0.000 1.021 76 S CB 1.104 64.479 63.200 0.291 0.000 0.887 76 S HN 0.226 nan 8.310 nan 0.000 0.542 77 D N 0.663 121.178 120.400 0.192 0.000 2.149 77 D HA -0.215 4.425 4.640 -0.001 0.000 0.198 77 D C 1.518 177.967 176.300 0.247 0.000 0.990 77 D CA 1.296 55.431 54.000 0.225 0.000 0.839 77 D CB -0.148 40.772 40.800 0.200 0.000 0.948 77 D HN 0.659 nan 8.370 nan 0.000 0.460 78 F N -0.118 119.869 119.950 0.061 0.000 2.171 78 F HA -0.128 4.398 4.527 -0.001 0.000 0.300 78 F C 1.652 177.325 175.800 -0.212 0.000 1.090 78 F CA 1.443 59.378 58.000 -0.110 0.000 1.293 78 F CB -0.252 38.605 39.000 -0.237 0.000 1.013 78 F HN -0.093 nan 8.300 nan 0.000 0.486 79 F N 0.221 120.316 119.950 0.242 0.000 2.731 79 F HA 0.115 4.641 4.527 -0.001 0.000 0.298 79 F C 2.034 177.853 175.800 0.032 0.000 1.106 79 F CA 0.047 58.126 58.000 0.132 0.000 1.329 79 F CB -0.223 38.903 39.000 0.210 0.000 1.100 79 F HN -0.142 nan 8.300 nan 0.000 0.592 80 K N -0.087 120.385 120.400 0.119 0.000 2.439 80 K HA -0.067 4.252 4.320 -0.001 0.000 0.197 80 K C -0.533 175.880 176.600 -0.313 0.000 1.041 80 K CA 0.912 57.118 56.287 -0.134 0.000 0.970 80 K CB -0.300 32.014 32.500 -0.309 0.000 0.773 80 K HN 0.182 nan 8.250 nan 0.000 0.479 81 Y N -0.097 120.215 120.300 0.019 0.000 2.528 81 Y HA 0.526 5.075 4.550 -0.001 0.000 0.335 81 Y C -0.692 175.240 175.900 0.053 0.000 1.093 81 Y CA -1.646 56.449 58.100 -0.008 0.000 1.134 81 Y CB 1.239 39.661 38.460 -0.063 0.000 1.253 81 Y HN -0.094 nan 8.280 nan 0.000 0.478 82 F N 1.499 121.456 119.950 0.011 0.000 2.581 82 F HA 0.503 5.029 4.527 -0.001 0.000 0.311 82 F C -0.682 175.124 175.800 0.011 0.000 1.113 82 F CA -1.342 56.632 58.000 -0.042 0.000 0.935 82 F CB 1.550 40.441 39.000 -0.181 0.000 1.232 82 F HN 0.429 nan 8.300 nan 0.000 0.445 83 R N 5.540 125.723 120.500 -0.527 0.000 2.248 83 R HA 0.543 4.882 4.340 -0.001 0.000 0.328 83 R C -1.864 174.259 176.300 -0.295 0.000 1.067 83 R CA -0.448 55.459 56.100 -0.322 0.000 0.924 83 R CB 0.560 30.707 30.300 -0.254 0.000 1.013 83 R HN 0.681 nan 8.270 nan 0.000 0.454 84 L N 4.110 125.273 121.223 -0.100 0.000 2.385 84 L HA 0.332 4.671 4.340 -0.001 0.000 0.273 84 L C -1.268 175.616 176.870 0.024 0.000 0.990 84 L CA -0.546 54.303 54.840 0.016 0.000 0.821 84 L CB 1.927 44.028 42.059 0.071 0.000 1.279 84 L HN 0.557 nan 8.230 nan 0.000 0.412 85 D N 3.629 124.061 120.400 0.053 0.000 2.339 85 D HA 0.217 4.856 4.640 -0.001 0.000 0.241 85 D C 0.966 177.331 176.300 0.108 0.000 1.183 85 D CA 0.040 54.082 54.000 0.070 0.000 0.859 85 D CB 0.810 41.652 40.800 0.070 0.000 1.067 85 D HN 0.627 nan 8.370 nan 0.000 0.484 86 L N 3.035 124.332 121.223 0.123 0.000 2.362 86 L HA -0.065 4.275 4.340 -0.001 0.000 0.219 86 L C 0.563 177.534 176.870 0.167 0.000 1.134 86 L CA 0.426 55.358 54.840 0.153 0.000 0.807 86 L CB -0.401 41.746 42.059 0.146 0.000 0.927 86 L HN 0.526 nan 8.230 nan 0.000 0.447 87 Y N 2.589 122.912 120.300 0.039 0.000 2.452 87 Y HA 0.205 4.754 4.550 -0.001 0.000 0.348 87 Y C 0.277 176.193 175.900 0.027 0.000 0.985 87 Y CA -1.136 56.981 58.100 0.028 0.000 1.214 87 Y CB 0.068 38.537 38.460 0.014 0.000 1.136 87 Y HN -0.063 nan 8.280 nan 0.000 0.523 88 K N 4.857 124.986 120.400 -0.453 0.000 2.205 88 K HA 0.216 4.535 4.320 -0.001 0.000 0.279 88 K C -0.497 175.726 176.600 -0.627 0.000 1.027 88 K CA -0.724 55.326 56.287 -0.395 0.000 0.932 88 K CB 1.180 33.564 32.500 -0.192 0.000 1.032 88 K HN 0.514 nan 8.250 nan 0.000 0.466 89 Q N 2.637 122.211 119.800 -0.376 0.000 2.773 89 Q HA 0.127 4.467 4.340 -0.001 0.000 0.373 89 Q C -1.398 174.495 176.000 -0.179 0.000 0.940 89 Q CA -0.343 55.287 55.803 -0.289 0.000 1.015 89 Q CB 0.500 29.133 28.738 -0.175 0.000 1.349 89 Q HN 0.682 nan 8.270 nan 0.000 0.413 90 c N 1.301 119.790 118.600 -0.184 0.000 2.442 90 c HA 0.313 4.882 4.570 -0.001 0.000 0.362 90 c C 1.147 175.136 174.090 -0.167 0.000 1.242 90 c CA -0.185 56.041 56.329 -0.172 0.000 1.741 90 c CB -0.689 41.660 42.510 -0.268 0.000 2.378 90 c HN 0.791 nan 8.230 nan 0.000 0.549 91 S N 4.761 120.371 115.700 -0.150 0.000 2.795 91 S HA 0.037 4.507 4.470 -0.001 0.000 0.236 91 S C 0.365 174.571 174.600 -0.656 0.000 0.973 91 S CA 0.881 58.871 58.200 -0.350 0.000 0.982 91 S CB -0.393 62.555 63.200 -0.421 0.000 0.786 91 S HN 0.846 nan 8.310 nan 0.000 0.538 92 F N -0.997 118.713 119.950 -0.400 0.000 2.007 92 F HA 0.438 4.965 4.527 -0.001 0.000 0.214 92 F C 0.401 176.066 175.800 -0.224 0.000 1.245 92 F CA -1.405 56.362 58.000 -0.388 0.000 1.293 92 F CB -0.434 38.113 39.000 -0.755 0.000 1.849 92 F HN 0.268 nan 8.300 nan 0.000 0.222 93 W N 0.835 122.274 121.300 0.232 0.000 2.166 93 W HA 0.420 5.080 4.660 -0.001 0.000 0.364 93 W C -0.196 176.360 176.519 0.061 0.000 1.344 93 W CA -1.002 56.406 57.345 0.105 0.000 1.471 93 W CB -0.191 29.313 29.460 0.074 0.000 1.220 93 W HN 0.058 nan 8.180 nan 0.000 0.666 94 D N 0.901 121.502 120.400 0.335 0.000 2.342 94 D HA 0.162 4.802 4.640 -0.001 0.000 0.260 94 D C 0.922 177.371 176.300 0.249 0.000 1.278 94 D CA 0.395 54.512 54.000 0.196 0.000 0.910 94 D CB 1.403 42.289 40.800 0.142 0.000 1.079 94 D HN 0.574 nan 8.370 nan 0.000 0.496 95 A N 5.229 128.138 122.820 0.148 0.000 1.874 95 A HA -0.139 4.180 4.320 -0.001 0.000 0.214 95 A C 1.915 179.539 177.584 0.066 0.000 1.189 95 A CA 0.588 52.706 52.037 0.135 0.000 0.615 95 A CB -0.102 18.907 19.000 0.016 0.000 0.830 95 A HN 0.577 nan 8.150 nan 0.000 0.443 96 N N 0.871 119.584 118.700 0.022 0.000 2.006 96 N HA -0.120 4.619 4.740 -0.001 0.000 0.193 96 N C 0.643 176.189 175.510 0.060 0.000 1.090 96 N CA 1.538 54.613 53.050 0.042 0.000 0.883 96 N CB -0.630 37.906 38.487 0.081 0.000 1.063 96 N HN 0.450 nan 8.380 nan 0.000 0.430 97 D N -0.065 120.377 120.400 0.071 0.000 2.018 97 D HA 0.061 4.701 4.640 -0.001 0.000 0.296 97 D C 0.691 177.024 176.300 0.056 0.000 1.100 97 D CA 0.499 54.534 54.000 0.058 0.000 0.986 97 D CB -0.802 40.033 40.800 0.059 0.000 1.127 97 D HN 0.421 nan 8.370 nan 0.000 0.421 98 G N 1.093 109.924 108.800 0.053 0.000 2.410 98 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.286 98 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.286 98 G C 0.522 175.443 174.900 0.034 0.000 0.884 98 G CA 0.231 45.359 45.100 0.048 0.000 1.130 98 G HN 0.257 nan 8.290 nan 0.000 0.492 99 L N -1.309 119.924 121.223 0.017 0.000 2.581 99 L HA -0.071 4.268 4.340 -0.001 0.000 0.299 99 L C 1.819 178.672 176.870 -0.029 0.000 1.261 99 L CA -0.205 54.633 54.840 -0.004 0.000 0.866 99 L CB 0.052 42.104 42.059 -0.012 0.000 1.113 99 L HN 0.388 nan 8.230 nan 0.000 0.514 100 c N 4.825 123.394 118.600 -0.052 0.000 2.662 100 c HA 0.215 4.784 4.570 -0.001 0.000 0.402 100 c C 0.448 174.486 174.090 -0.087 0.000 1.397 100 c CA -0.537 55.734 56.329 -0.098 0.000 1.575 100 c CB -1.164 41.283 42.510 -0.105 0.000 2.406 100 c HN 0.476 nan 8.230 nan 0.000 0.609 101 L N 6.435 127.606 121.223 -0.087 0.000 2.358 101 L HA 0.525 4.864 4.340 -0.001 0.000 0.268 101 L C 0.888 177.712 176.870 -0.077 0.000 1.032 101 L CA 0.366 55.166 54.840 -0.067 0.000 0.805 101 L CB 0.618 42.649 42.059 -0.046 0.000 1.253 101 L HN 0.804 nan 8.230 nan 0.000 0.452 102 N N 2.038 120.704 118.700 -0.057 0.000 2.782 102 N HA -0.220 4.519 4.740 -0.001 0.000 0.251 102 N C -0.296 175.178 175.510 -0.060 0.000 1.101 102 N CA 1.108 54.127 53.050 -0.051 0.000 0.764 102 N CB -0.701 37.755 38.487 -0.051 0.000 1.122 102 N HN 0.776 nan 8.380 nan 0.000 0.561 103 R N -2.464 117.992 120.500 -0.074 0.000 3.627 103 R HA -0.253 4.086 4.340 -0.001 0.000 0.281 103 R C 0.916 177.155 176.300 -0.100 0.000 1.140 103 R CA 0.911 56.959 56.100 -0.086 0.000 0.761 103 R CB -2.111 28.158 30.300 -0.052 0.000 1.181 103 R HN 0.427 nan 8.270 nan 0.000 0.472 104 A N -0.901 121.843 122.820 -0.126 0.000 2.252 104 A HA 0.090 4.409 4.320 -0.001 0.000 0.207 104 A C 1.240 178.702 177.584 -0.204 0.000 1.194 104 A CA 0.783 52.722 52.037 -0.163 0.000 0.809 104 A CB 0.120 18.999 19.000 -0.202 0.000 0.814 104 A HN 0.542 nan 8.150 nan 0.000 0.482 105 c N -1.238 117.257 118.600 -0.175 0.000 3.486 105 c HA 0.452 5.021 4.570 -0.001 0.000 0.264 105 c C 0.818 174.791 174.090 -0.195 0.000 1.756 105 c CA -0.306 55.910 56.329 -0.189 0.000 1.764 105 c CB -1.341 41.174 42.510 0.009 0.000 3.238 105 c HN 0.463 nan 8.230 nan 0.000 0.524 106 S N 0.827 116.425 115.700 -0.171 0.000 2.600 106 S HA 0.785 5.255 4.470 -0.001 0.000 0.300 106 S C -0.430 174.153 174.600 -0.029 0.000 1.087 106 S CA -0.301 57.807 58.200 -0.154 0.000 0.965 106 S CB 1.367 64.422 63.200 -0.241 0.000 1.089 106 S HN 0.524 nan 8.310 nan 0.000 0.496 107 V N 1.863 121.847 119.914 0.118 0.000 2.472 107 V HA 0.565 4.684 4.120 -0.001 0.000 0.290 107 V C 0.650 177.014 176.094 0.450 0.000 1.037 107 V CA -0.420 62.039 62.300 0.264 0.000 0.908 107 V CB 1.370 33.404 31.823 0.352 0.000 0.985 107 V HN 0.896 nan 8.190 nan 0.000 0.454 108 D N 2.346 122.919 120.400 0.287 0.000 2.097 108 D HA -0.119 4.520 4.640 -0.001 0.000 0.195 108 D C 2.038 178.457 176.300 0.198 0.000 0.989 108 D CA 1.748 55.897 54.000 0.247 0.000 0.827 108 D CB -0.087 40.789 40.800 0.128 0.000 0.966 108 D HN 0.538 nan 8.370 nan 0.000 0.456 109 V N 1.079 121.103 119.914 0.182 0.000 2.401 109 V HA -0.364 3.756 4.120 -0.001 0.000 0.187 109 V C 1.293 177.374 176.094 -0.020 0.000 0.887 109 V CA 2.032 64.403 62.300 0.118 0.000 1.374 109 V CB -1.629 30.350 31.823 0.261 0.000 0.921 109 V HN 0.120 nan 8.190 nan 0.000 0.491 110 V N 2.232 122.066 119.914 -0.133 0.000 2.536 110 V HA -0.046 4.073 4.120 -0.001 0.000 0.287 110 V C 1.513 177.399 176.094 -0.347 0.000 0.979 110 V CA 0.954 63.054 62.300 -0.333 0.000 1.161 110 V CB -0.841 30.550 31.823 -0.720 0.000 0.915 110 V HN 0.914 nan 8.190 nan 0.000 0.467 111 E N 3.229 123.318 120.200 -0.185 0.000 2.722 111 E HA -0.314 4.035 4.350 -0.001 0.000 0.245 111 E C 0.694 177.218 176.600 -0.126 0.000 1.004 111 E CA 2.434 58.760 56.400 -0.123 0.000 1.405 111 E CB -0.290 29.354 29.700 -0.094 0.000 1.325 111 E HN 0.789 nan 8.360 nan 0.000 0.479 112 D N -2.483 117.805 120.400 -0.187 0.000 2.931 112 D HA 0.119 4.759 4.640 -0.001 0.000 0.215 112 D C -0.826 175.394 176.300 -0.134 0.000 1.297 112 D CA -0.610 53.329 54.000 -0.102 0.000 0.892 112 D CB 0.204 40.998 40.800 -0.009 0.000 1.642 112 D HN 0.113 nan 8.370 nan 0.000 0.560 113 W N 1.781 123.109 121.300 0.047 0.000 2.519 113 W HA 0.024 4.684 4.660 -0.001 0.000 0.266 113 W C 1.744 178.278 176.519 0.026 0.000 1.253 113 W CA 0.058 57.433 57.345 0.049 0.000 1.274 113 W CB 0.136 29.625 29.460 0.049 0.000 1.114 113 W HN 0.391 nan 8.180 nan 0.000 0.596 114 D N -0.305 120.220 120.400 0.209 0.000 2.265 114 D HA -0.138 4.501 4.640 -0.001 0.000 0.208 114 D C 1.929 178.267 176.300 0.064 0.000 0.977 114 D CA 2.006 56.076 54.000 0.116 0.000 0.871 114 D CB -0.524 40.326 40.800 0.084 0.000 0.925 114 D HN 0.285 nan 8.370 nan 0.000 0.485 115 T N -2.041 112.542 114.554 0.048 0.000 3.086 115 T HA 0.234 4.583 4.350 -0.001 0.000 0.250 115 T C 0.884 175.593 174.700 0.015 0.000 1.074 115 T CA -0.234 61.876 62.100 0.016 0.000 0.988 115 T CB 0.100 68.968 68.868 0.000 0.000 0.988 115 T HN -0.058 nan 8.240 nan 0.000 0.530 116 L N 2.214 123.466 121.223 0.048 0.000 2.334 116 L HA 0.549 4.888 4.340 -0.001 0.000 0.272 116 L C -2.081 174.761 176.870 -0.047 0.000 1.020 116 L CA -2.951 51.928 54.840 0.066 0.000 0.812 116 L CB 1.425 43.603 42.059 0.198 0.000 1.264 116 L HN -0.045 nan 8.230 nan 0.000 0.439 117 P HA -0.053 nan 4.420 nan 0.000 0.268 117 P C 0.208 177.199 177.300 -0.514 0.000 1.208 117 P CA -0.015 62.719 63.100 -0.610 0.000 0.777 117 P CB 0.851 31.747 31.700 -1.339 0.000 0.875 118 E N 1.621 121.562 120.200 -0.432 0.000 2.130 118 E HA -0.233 4.116 4.350 -0.001 0.000 0.196 118 E C 1.081 177.617 176.600 -0.107 0.000 0.998 118 E CA 1.316 57.606 56.400 -0.184 0.000 0.806 118 E CB -0.404 29.251 29.700 -0.076 0.000 0.738 118 E HN 0.627 nan 8.360 nan 0.000 0.459 119 Y N -3.160 117.102 120.300 -0.062 0.000 2.477 119 Y HA 0.127 4.677 4.550 -0.001 0.000 0.303 119 Y C 0.301 176.371 175.900 0.283 0.000 1.202 119 Y CA -0.590 57.531 58.100 0.035 0.000 1.282 119 Y CB -0.317 38.128 38.460 -0.025 0.000 1.071 119 Y HN 0.052 nan 8.280 nan 0.000 0.510 120 W N 1.547 122.847 121.300 -0.000 0.000 2.506 120 W HA 0.368 5.027 4.660 -0.001 0.000 0.394 120 W C -0.317 176.304 176.519 0.170 0.000 0.920 120 W CA -1.258 56.146 57.345 0.098 0.000 2.221 120 W CB -0.075 29.407 29.460 0.036 0.000 1.197 120 W HN -0.010 nan 8.180 nan 0.000 0.627 121 Q N 0.068 120.007 119.800 0.233 0.000 2.221 121 Q HA 0.229 4.569 4.340 -0.001 0.000 0.242 121 Q C -1.368 174.515 176.000 -0.195 0.000 0.940 121 Q CA -1.889 53.895 55.803 -0.030 0.000 0.896 121 Q CB 0.722 29.430 28.738 -0.050 0.000 1.226 121 Q HN -0.137 nan 8.270 nan 0.000 0.463 122 P HA -0.208 nan 4.420 nan 0.000 0.216 122 P C 0.465 177.647 177.300 -0.196 0.000 1.157 122 P CA 1.533 64.385 63.100 -0.413 0.000 0.880 122 P CB 0.388 31.779 31.700 -0.514 0.000 0.791 123 E N -1.368 118.738 120.200 -0.157 0.000 2.267 123 E HA -0.144 4.206 4.350 -0.001 0.000 0.197 123 E C 1.662 178.232 176.600 -0.049 0.000 0.998 123 E CA 0.980 57.322 56.400 -0.096 0.000 0.830 123 E CB -0.788 28.867 29.700 -0.075 0.000 0.751 123 E HN 0.299 nan 8.360 nan 0.000 0.491 124 I N -0.546 120.021 120.570 -0.005 0.000 2.731 124 I HA -0.060 4.109 4.170 -0.001 0.000 0.260 124 I C 1.785 177.964 176.117 0.104 0.000 1.138 124 I CA 0.539 61.882 61.300 0.071 0.000 1.461 124 I CB -0.089 38.000 38.000 0.148 0.000 1.128 124 I HN 0.036 nan 8.210 nan 0.000 0.438 125 L N 0.087 121.369 121.223 0.098 0.000 2.275 125 L HA -0.041 4.298 4.340 -0.001 0.000 0.215 125 L C 1.980 178.896 176.870 0.076 0.000 1.119 125 L CA 1.228 56.164 54.840 0.159 0.000 0.790 125 L CB -0.795 41.339 42.059 0.124 0.000 0.919 125 L HN 0.385 nan 8.230 nan 0.000 0.443 126 G N -0.830 107.957 108.800 -0.021 0.000 3.337 126 G HA2 0.062 4.022 3.960 -0.001 0.000 0.246 126 G HA3 0.062 4.022 3.960 -0.001 0.000 0.246 126 G C 0.522 175.334 174.900 -0.146 0.000 1.131 126 G CA 0.134 45.186 45.100 -0.079 0.000 0.773 126 G HN 0.340 nan 8.290 nan 0.000 0.544 127 S N -0.279 115.372 115.700 -0.082 0.000 2.610 127 S HA 0.653 5.123 4.470 -0.001 0.000 0.273 127 S C -0.148 174.456 174.600 0.008 0.000 1.274 127 S CA -0.780 57.346 58.200 -0.123 0.000 1.023 127 S CB 1.151 64.336 63.200 -0.024 0.000 0.962 127 S HN 0.073 nan 8.310 nan 0.000 0.523 128 F N 1.237 121.215 119.950 0.047 0.000 2.406 128 F HA 0.267 4.794 4.527 -0.001 0.000 0.327 128 F C 1.438 177.271 175.800 0.055 0.000 1.153 128 F CA -0.857 57.174 58.000 0.051 0.000 1.218 128 F CB 0.642 39.668 39.000 0.043 0.000 1.215 128 F HN 0.517 nan 8.300 nan 0.000 0.570 129 N N 2.423 121.284 118.700 0.269 0.000 2.455 129 N HA 0.006 4.746 4.740 -0.001 0.000 0.280 129 N C 0.623 176.207 175.510 0.124 0.000 1.055 129 N CA -0.212 52.933 53.050 0.158 0.000 0.961 129 N CB 1.009 39.566 38.487 0.116 0.000 1.121 129 N HN 0.627 nan 8.380 nan 0.000 0.476 130 N N 2.796 121.560 118.700 0.106 0.000 2.006 130 N HA -0.223 4.516 4.740 -0.001 0.000 0.196 130 N C 0.471 176.016 175.510 0.059 0.000 1.057 130 N CA 1.468 54.567 53.050 0.082 0.000 0.853 130 N CB -0.693 37.836 38.487 0.071 0.000 1.051 130 N HN 0.582 nan 8.380 nan 0.000 0.423 131 D N 0.838 121.271 120.400 0.055 0.000 2.404 131 D HA -0.074 4.565 4.640 -0.001 0.000 0.256 131 D C 0.399 176.728 176.300 0.049 0.000 1.189 131 D CA 0.421 54.449 54.000 0.046 0.000 0.965 131 D CB -0.779 40.047 40.800 0.044 0.000 0.901 131 D HN 0.556 nan 8.370 nan 0.000 0.517 135 E N 0.523 120.683 120.200 -0.067 0.000 2.413 135 E HA 0.255 4.605 4.350 -0.001 0.000 0.263 135 E C -0.498 176.045 176.600 -0.096 0.000 1.015 135 E CA 0.041 56.400 56.400 -0.068 0.000 0.916 135 E CB 0.851 30.517 29.700 -0.055 0.000 0.947 135 E HN 0.535 nan 8.360 nan 0.000 0.440 136 A N 3.850 126.613 122.820 -0.095 0.000 2.260 136 A HA 0.199 4.518 4.320 -0.001 0.000 0.314 136 A C -0.365 177.153 177.584 -0.110 0.000 1.257 136 A CA -0.938 51.026 52.037 -0.121 0.000 0.871 136 A CB 0.409 19.333 19.000 -0.127 0.000 1.166 136 A HN 0.647 nan 8.150 nan 0.000 0.522 137 D N 1.438 121.766 120.400 -0.120 0.000 2.387 137 D HA 0.101 4.740 4.640 -0.001 0.000 0.251 137 D C -0.463 175.768 176.300 -0.114 0.000 1.141 137 D CA -0.511 53.427 54.000 -0.103 0.000 0.987 137 D CB 0.794 41.536 40.800 -0.096 0.000 1.116 137 D HN 0.422 nan 8.370 nan 0.000 0.491 138 D N -0.543 119.802 120.400 -0.092 0.000 2.378 138 D HA -0.040 4.599 4.640 -0.001 0.000 0.227 138 D C 0.619 176.875 176.300 -0.073 0.000 1.012 138 D CA 0.537 54.483 54.000 -0.090 0.000 0.905 138 D CB 0.233 40.991 40.800 -0.070 0.000 0.895 138 D HN 0.224 nan 8.370 nan 0.000 0.532 139 S N 0.152 115.805 115.700 -0.079 0.000 2.554 139 S HA -0.033 4.436 4.470 -0.001 0.000 0.226 139 S C 0.370 174.872 174.600 -0.163 0.000 0.980 139 S CA -0.539 57.627 58.200 -0.058 0.000 0.939 139 S CB 0.674 63.848 63.200 -0.043 0.000 0.832 139 S HN 0.183 nan 8.310 nan 0.000 0.486 140 D N 2.802 123.080 120.400 -0.203 0.000 2.581 140 D HA -0.080 4.559 4.640 -0.001 0.000 0.238 140 D C 0.481 176.586 176.300 -0.326 0.000 1.145 140 D CA 0.380 54.223 54.000 -0.261 0.000 0.866 140 D CB 0.461 41.091 40.800 -0.283 0.000 1.151 140 D HN 0.013 nan 8.370 nan 0.000 0.500 141 D N 3.341 123.556 120.400 -0.309 0.000 2.265 141 D HA -0.155 4.485 4.640 -0.001 0.000 0.208 141 D C 1.416 177.510 176.300 -0.342 0.000 0.977 141 D CA 0.789 54.591 54.000 -0.330 0.000 0.871 141 D CB 0.201 40.835 40.800 -0.276 0.000 0.925 141 D HN 0.650 nan 8.370 nan 0.000 0.485 142 E N -0.613 119.382 120.200 -0.342 0.000 2.268 142 E HA -0.115 4.234 4.350 -0.001 0.000 0.195 142 E C 1.728 178.086 176.600 -0.402 0.000 0.995 142 E CA 0.442 56.672 56.400 -0.283 0.000 0.836 142 E CB 0.066 29.644 29.700 -0.202 0.000 0.763 142 E HN 0.339 nan 8.360 nan 0.000 0.491 143 c N 0.998 119.190 118.600 -0.681 0.000 2.563 143 c HA 0.092 4.661 4.570 -0.001 0.000 0.268 143 c C 1.092 174.883 174.090 -0.497 0.000 1.365 143 c CA -0.331 55.371 56.329 -1.045 0.000 1.754 143 c CB -0.562 41.302 42.510 -1.076 0.000 1.932 143 c HN 0.204 nan 8.230 nan 0.000 0.536 144 K N 0.573 120.724 120.400 -0.414 0.000 2.168 144 K HA 0.371 4.691 4.320 -0.001 0.000 0.258 144 K C -0.477 176.070 176.600 -0.089 0.000 1.010 144 K CA 0.002 56.056 56.287 -0.389 0.000 0.929 144 K CB 0.504 32.713 32.500 -0.485 0.000 0.998 144 K HN 0.286 nan 8.250 nan 0.000 0.479 145 F N 1.604 121.514 119.950 -0.067 0.000 2.382 145 F HA 0.054 4.580 4.527 -0.001 0.000 0.331 145 F C 1.829 177.605 175.800 -0.041 0.000 1.121 145 F CA -0.955 57.028 58.000 -0.029 0.000 1.183 145 F CB 0.578 39.580 39.000 0.002 0.000 1.207 145 F HN 0.346 nan 8.300 nan 0.000 0.555 146 L N 0.854 122.170 121.223 0.155 0.000 2.189 146 L HA -0.245 4.094 4.340 -0.001 0.000 0.214 146 L C 1.554 178.512 176.870 0.147 0.000 1.097 146 L CA 1.033 55.917 54.840 0.074 0.000 0.764 146 L CB -0.481 41.575 42.059 -0.005 0.000 0.900 146 L HN 0.658 nan 8.230 nan 0.000 0.436 147 D N -0.329 120.173 120.400 0.170 0.000 2.183 147 D HA -0.135 4.505 4.640 -0.001 0.000 0.203 147 D C 2.195 178.579 176.300 0.140 0.000 0.969 147 D CA 0.963 55.061 54.000 0.163 0.000 0.842 147 D CB 0.039 40.942 40.800 0.172 0.000 0.957 147 D HN 0.465 nan 8.370 nan 0.000 0.484 148 Q N -0.195 119.674 119.800 0.115 0.000 2.424 148 Q HA 0.119 4.459 4.340 -0.001 0.000 0.204 148 Q C 2.235 178.207 176.000 -0.046 0.000 0.933 148 Q CA -0.035 55.778 55.803 0.018 0.000 0.929 148 Q CB 0.452 29.140 28.738 -0.084 0.000 1.037 148 Q HN 0.283 nan 8.270 nan 0.000 0.511 149 L N -0.419 120.801 121.223 -0.006 0.000 1.970 149 L HA -0.220 4.119 4.340 -0.001 0.000 0.212 149 L C 1.504 178.346 176.870 -0.046 0.000 1.071 149 L CA 0.931 55.761 54.840 -0.017 0.000 0.751 149 L CB -0.204 41.915 42.059 0.100 0.000 0.889 149 L HN 0.273 nan 8.230 nan 0.000 0.432 150 c N -0.895 117.696 118.600 -0.015 0.000 2.742 150 c HA 0.189 4.758 4.570 -0.001 0.000 0.283 150 c C 0.746 174.859 174.090 0.037 0.000 1.451 150 c CA -0.936 55.334 56.329 -0.099 0.000 1.785 150 c CB -0.765 41.539 42.510 -0.344 0.000 2.664 150 c HN 0.327 nan 8.230 nan 0.000 0.544 151 Q N 2.662 122.496 119.800 0.057 0.000 2.436 151 Q HA -0.008 4.331 4.340 -0.001 0.000 0.292 151 Q C 1.011 177.063 176.000 0.087 0.000 1.229 151 Q CA 0.736 56.593 55.803 0.088 0.000 1.008 151 Q CB -0.266 28.516 28.738 0.074 0.000 1.220 151 Q HN 0.738 nan 8.270 nan 0.000 0.432 152 T N 1.598 116.230 114.554 0.131 0.000 2.460 152 T HA -0.179 4.171 4.350 -0.001 0.000 0.469 152 T C 0.670 175.418 174.700 0.080 0.000 1.020 152 T CA 0.639 62.815 62.100 0.126 0.000 3.926 152 T CB -2.080 66.848 68.868 0.099 0.000 0.571 152 T HN 1.722 nan 8.240 nan 0.000 0.200 153 S N 0.166 115.904 115.700 0.064 0.000 3.524 153 S HA 0.239 4.708 4.470 -0.001 0.000 0.377 153 S C 1.129 175.745 174.600 0.028 0.000 0.949 153 S CA 1.399 59.619 58.200 0.033 0.000 1.264 153 S CB -2.680 60.542 63.200 0.037 0.000 0.918 153 S HN 2.679 nan 8.310 nan 0.000 0.517 154 K N -1.746 118.669 120.400 0.024 0.000 3.257 154 K HA 0.141 4.460 4.320 -0.001 0.000 0.270 154 K C 1.916 178.540 176.600 0.041 0.000 0.984 154 K CA 2.572 58.878 56.287 0.032 0.000 0.739 154 K CB -3.270 29.245 32.500 0.025 0.000 1.351 154 K HN 2.567 nan 8.250 nan 0.000 0.463 155 K N -1.119 119.311 120.400 0.050 0.000 2.173 155 K HA 0.083 4.402 4.320 -0.001 0.000 0.207 155 K C 0.752 177.381 176.600 0.048 0.000 1.046 155 K CA 1.984 58.301 56.287 0.051 0.000 0.929 155 K CB -1.520 31.016 32.500 0.061 0.000 0.720 155 K HN 1.586 nan 8.250 nan 0.000 0.453 156 P HA 0.641 nan 4.420 nan 0.000 0.219 156 P C 0.986 178.309 177.300 0.038 0.000 1.832 156 P CA 0.541 63.672 63.100 0.052 0.000 1.014 156 P CB -1.582 30.160 31.700 0.070 0.000 1.939 157 V N 0.942 120.873 119.914 0.028 0.000 1.289 157 V HA -0.155 3.965 4.120 -0.001 0.000 0.113 157 V C 1.696 177.799 176.094 0.015 0.000 0.793 157 V CA 4.166 66.477 62.300 0.017 0.000 2.768 157 V CB -1.952 29.876 31.823 0.008 0.000 0.473 157 V HN 1.426 nan 8.190 nan 0.000 0.255 158 D N -3.499 116.901 120.400 0.000 0.000 2.767 158 D HA 0.348 4.987 4.640 -0.001 0.000 0.239 158 D C 1.217 177.514 176.300 -0.004 0.000 1.103 158 D CA 1.842 55.837 54.000 -0.008 0.000 0.710 158 D CB -2.189 38.615 40.800 0.007 0.000 1.084 158 D HN 2.598 nan 8.370 nan 0.000 0.435 159 I N -3.018 117.548 120.570 -0.007 0.000 3.883 159 I HA 0.750 4.920 4.170 -0.001 0.000 0.326 159 I C 1.338 177.448 176.117 -0.013 0.000 1.283 159 I CA 2.539 63.835 61.300 -0.007 0.000 1.161 159 I CB -0.546 37.452 38.000 -0.004 0.000 1.012 159 I HN 1.680 nan 8.210 nan 0.000 0.421 160 E N -0.957 119.232 120.200 -0.018 0.000 2.233 160 E HA 0.629 4.978 4.350 -0.001 0.000 0.223 160 E C 0.776 177.357 176.600 -0.032 0.000 1.048 160 E CA 0.984 57.370 56.400 -0.023 0.000 0.883 160 E CB -0.557 29.131 29.700 -0.020 0.000 1.925 160 E HN 1.906 nan 8.360 nan 0.000 0.460 161 D N -2.195 118.185 120.400 -0.034 0.000 4.187 161 D HA 0.338 4.977 4.640 -0.001 0.000 0.175 161 D C 1.352 177.621 176.300 -0.053 0.000 0.709 161 D CA 4.525 58.499 54.000 -0.043 0.000 1.055 161 D CB -1.887 38.884 40.800 -0.048 0.000 0.477 161 D HN 2.611 nan 8.370 nan 0.000 0.438 162 T N -3.616 110.894 114.554 -0.072 0.000 2.913 162 T HA 0.780 5.129 4.350 -0.001 0.000 0.341 162 T C -0.278 174.332 174.700 -0.149 0.000 1.855 162 T CA 0.931 62.975 62.100 -0.092 0.000 1.049 162 T CB -0.636 68.184 68.868 -0.081 0.000 1.769 162 T HN 2.523 nan 8.240 nan 0.000 0.511 163 I N 1.108 121.549 120.570 -0.215 0.000 2.563 163 I HA 0.807 4.976 4.170 -0.001 0.000 0.285 163 I C -0.398 175.414 176.117 -0.508 0.000 1.123 163 I CA -0.858 60.191 61.300 -0.418 0.000 1.059 163 I CB 1.176 38.819 38.000 -0.596 0.000 1.229 163 I HN 0.854 nan 8.210 nan 0.000 0.442 164 N N 3.958 122.430 118.700 -0.380 0.000 2.767 164 N HA 0.383 5.123 4.740 -0.001 0.000 0.238 164 N C 0.443 175.797 175.510 -0.260 0.000 1.083 164 N CA -0.379 52.524 53.050 -0.246 0.000 0.964 164 N CB 0.424 38.826 38.487 -0.142 0.000 1.252 164 N HN 0.716 nan 8.380 nan 0.000 0.512 165 Y N 0.869 121.059 120.300 -0.184 0.000 2.224 165 Y HA -0.252 4.297 4.550 -0.001 0.000 0.289 165 Y C 2.444 178.196 175.900 -0.247 0.000 1.146 165 Y CA 0.676 58.630 58.100 -0.244 0.000 1.182 165 Y CB -0.480 37.792 38.460 -0.314 0.000 0.983 165 Y HN 0.552 nan 8.280 nan 0.000 0.524 166 c N -0.053 118.485 118.600 -0.103 0.000 2.413 166 c HA -0.231 4.339 4.570 -0.001 0.000 0.278 166 c C 2.690 176.798 174.090 0.031 0.000 1.224 166 c CA 1.416 57.632 56.329 -0.189 0.000 1.732 166 c CB -0.902 41.483 42.510 -0.208 0.000 2.050 166 c HN 0.590 nan 8.230 nan 0.000 0.463 167 D N 0.528 120.923 120.400 -0.009 0.000 2.149 167 D HA -0.118 4.521 4.640 -0.001 0.000 0.198 167 D C 2.078 178.391 176.300 0.022 0.000 0.990 167 D CA 1.284 55.289 54.000 0.009 0.000 0.839 167 D CB 0.035 40.816 40.800 -0.031 0.000 0.948 167 D HN 0.307 nan 8.370 nan 0.000 0.460 168 V N 1.549 121.460 119.914 -0.006 0.000 2.270 168 V HA -0.182 3.937 4.120 -0.001 0.000 0.245 168 V C 1.758 177.895 176.094 0.072 0.000 1.043 168 V CA 1.410 63.710 62.300 0.000 0.000 1.014 168 V CB -0.517 31.269 31.823 -0.062 0.000 0.645 168 V HN 0.221 nan 8.190 nan 0.000 0.447 169 N N 0.384 119.164 118.700 0.132 0.000 2.551 169 N HA -0.055 4.685 4.740 -0.001 0.000 0.199 169 N C -0.142 175.515 175.510 0.245 0.000 1.277 169 N CA 0.605 53.812 53.050 0.263 0.000 0.870 169 N CB -0.317 38.401 38.487 0.384 0.000 1.028 169 N HN 0.505 nan 8.380 nan 0.000 0.452 170 D N -0.393 120.100 120.400 0.154 0.000 2.835 170 D HA -0.191 4.448 4.640 -0.001 0.000 0.230 170 D C -0.815 175.450 176.300 -0.058 0.000 1.130 170 D CA 0.525 54.544 54.000 0.031 0.000 0.738 170 D CB -1.786 38.995 40.800 -0.033 0.000 1.090 170 D HN 0.264 nan 8.370 nan 0.000 0.433 171 F N 1.150 121.038 119.950 -0.103 0.000 2.640 171 F HA 0.167 4.694 4.527 -0.001 0.000 0.331 171 F C 1.233 176.965 175.800 -0.113 0.000 1.200 171 F CA -0.683 57.224 58.000 -0.156 0.000 1.278 171 F CB 0.011 38.881 39.000 -0.217 0.000 1.571 171 F HN -0.181 nan 8.300 nan 0.000 0.576 172 N N 1.745 120.458 118.700 0.022 0.000 3.210 172 N HA 0.035 4.774 4.740 -0.001 0.000 0.314 172 N C 0.733 176.253 175.510 0.017 0.000 1.291 172 N CA 0.002 53.061 53.050 0.015 0.000 1.202 172 N CB 0.503 38.991 38.487 0.001 0.000 1.475 172 N HN 0.468 nan 8.380 nan 0.000 0.554 173 G N 0.355 109.169 108.800 0.023 0.000 2.365 173 G HA2 0.030 3.990 3.960 -0.001 0.000 0.293 173 G HA3 0.030 3.990 3.960 -0.001 0.000 0.293 173 G C 0.878 175.795 174.900 0.028 0.000 1.128 173 G CA -0.483 44.636 45.100 0.032 0.000 0.971 173 G HN 0.227 nan 8.290 nan 0.000 0.422 174 K N 1.097 121.527 120.400 0.050 0.000 2.519 174 K HA -0.078 4.241 4.320 -0.001 0.000 0.196 174 K C 0.654 177.240 176.600 -0.023 0.000 1.041 174 K CA 0.708 56.983 56.287 -0.020 0.000 0.954 174 K CB 0.129 32.558 32.500 -0.119 0.000 0.774 174 K HN 0.509 nan 8.250 nan 0.000 0.480 175 N N -0.337 118.380 118.700 0.028 0.000 3.286 175 N HA 0.086 4.826 4.740 -0.001 0.000 0.169 175 N C -1.747 173.782 175.510 0.031 0.000 1.375 175 N CA -0.044 53.020 53.050 0.023 0.000 1.093 175 N CB 0.295 38.806 38.487 0.040 0.000 1.659 175 N HN 0.075 nan 8.380 nan 0.000 0.629 176 A N 0.518 123.339 122.820 0.001 0.000 2.340 176 A HA 0.776 5.095 4.320 -0.001 0.000 0.268 176 A C 0.231 177.792 177.584 -0.039 0.000 1.100 176 A CA -0.095 51.931 52.037 -0.018 0.000 0.803 176 A CB 0.595 19.568 19.000 -0.044 0.000 1.043 176 A HN 0.791 nan 8.150 nan 0.000 0.488 177 V N -0.413 119.471 119.914 -0.050 0.000 3.159 177 V HA 0.706 4.825 4.120 -0.001 0.000 0.308 177 V C -0.775 175.265 176.094 -0.089 0.000 1.190 177 V CA -0.956 61.304 62.300 -0.067 0.000 1.037 177 V CB 1.673 33.465 31.823 -0.052 0.000 1.060 177 V HN 0.718 nan 8.190 nan 0.000 0.437 178 L N 3.024 124.192 121.223 -0.091 0.000 2.276 178 L HA 0.585 4.925 4.340 -0.001 0.000 0.286 178 L C -0.519 176.355 176.870 0.008 0.000 1.024 178 L CA -0.322 54.479 54.840 -0.064 0.000 0.826 178 L CB 1.317 43.288 42.059 -0.147 0.000 1.211 178 L HN 0.550 nan 8.230 nan 0.000 0.422 179 I N 2.242 122.813 120.570 0.001 0.000 2.428 179 I HA 0.175 4.344 4.170 -0.001 0.000 0.296 179 I C 0.183 176.326 176.117 0.044 0.000 0.985 179 I CA -0.500 60.764 61.300 -0.060 0.000 1.260 179 I CB 1.677 39.495 38.000 -0.304 0.000 1.389 179 I HN 0.502 nan 8.210 nan 0.000 0.484 180 D N 6.322 126.724 120.400 0.003 0.000 2.352 180 D HA 0.144 4.783 4.640 -0.001 0.000 0.245 180 D C 0.902 177.137 176.300 -0.108 0.000 1.224 180 D CA -0.039 53.877 54.000 -0.141 0.000 0.879 180 D CB 1.013 41.765 40.800 -0.079 0.000 1.057 180 D HN 0.449 nan 8.370 nan 0.000 0.491 181 L N 2.677 123.826 121.223 -0.123 0.000 2.275 181 L HA -0.115 4.225 4.340 -0.001 0.000 0.215 181 L C 2.150 179.092 176.870 0.120 0.000 1.119 181 L CA 0.754 55.603 54.840 0.015 0.000 0.790 181 L CB -0.263 41.786 42.059 -0.017 0.000 0.919 181 L HN 0.352 nan 8.230 nan 0.000 0.443 182 T N -0.308 114.249 114.554 0.004 0.000 2.985 182 T HA 0.014 4.364 4.350 -0.001 0.000 0.266 182 T C 1.755 176.469 174.700 0.023 0.000 1.076 182 T CA 1.108 63.218 62.100 0.017 0.000 1.135 182 T CB 0.086 68.936 68.868 -0.031 0.000 0.890 182 T HN 0.425 nan 8.240 nan 0.000 0.480 183 A N 1.239 124.070 122.820 0.017 0.000 2.308 183 A HA 0.226 4.546 4.320 -0.001 0.000 0.217 183 A C 1.007 178.631 177.584 0.067 0.000 1.216 183 A CA -0.013 52.042 52.037 0.031 0.000 0.864 183 A CB 0.209 19.223 19.000 0.024 0.000 0.902 183 A HN 0.330 nan 8.150 nan 0.000 0.499 184 N N 1.324 120.094 118.700 0.116 0.000 2.642 184 N HA 0.186 4.925 4.740 -0.001 0.000 0.308 184 N C -3.113 172.612 175.510 0.358 0.000 1.914 184 N CA -0.839 52.336 53.050 0.209 0.000 0.893 184 N CB 1.125 39.732 38.487 0.200 0.000 1.322 184 N HN 0.305 nan 8.380 nan 0.000 0.490 185 P HA -0.011 nan 4.420 nan 0.000 0.269 185 P C -0.029 177.198 177.300 -0.122 0.000 1.215 185 P CA 0.128 63.255 63.100 0.046 0.000 0.780 185 P CB 1.369 33.015 31.700 -0.090 0.000 0.898 186 E N 2.243 122.039 120.200 -0.674 0.000 2.360 186 E HA 0.128 4.477 4.350 -0.001 0.000 0.269 186 E C 0.258 176.702 176.600 -0.260 0.000 1.022 186 E CA -0.282 55.716 56.400 -0.671 0.000 0.887 186 E CB 0.401 29.387 29.700 -1.191 0.000 0.990 186 E HN 0.446 nan 8.360 nan 0.000 0.426 187 R N 2.653 123.102 120.500 -0.085 0.000 2.756 187 R HA 0.227 4.567 4.340 -0.001 0.000 0.273 187 R C -1.245 175.183 176.300 0.214 0.000 1.030 187 R CA -0.939 55.179 56.100 0.031 0.000 0.887 187 R CB 0.141 30.306 30.300 -0.225 0.000 1.274 187 R HN 0.377 nan 8.270 nan 0.000 0.461 188 F N 2.188 122.292 119.950 0.256 0.000 2.541 188 F HA 0.202 4.728 4.527 -0.001 0.000 0.378 188 F C 0.929 176.923 175.800 0.324 0.000 1.068 188 F CA 0.951 59.140 58.000 0.315 0.000 1.199 188 F CB 1.236 40.430 39.000 0.324 0.000 1.091 188 F HN 0.691 nan 8.300 nan 0.000 0.555 189 T N 1.368 115.667 114.554 -0.425 0.000 3.003 189 T HA 0.346 4.695 4.350 -0.001 0.000 0.261 189 T C 1.342 175.691 174.700 -0.585 0.000 1.003 189 T CA 0.351 62.247 62.100 -0.340 0.000 0.917 189 T CB -0.080 68.723 68.868 -0.109 0.000 1.084 189 T HN 1.372 nan 8.240 nan 0.000 0.522 190 G N 0.935 109.086 108.800 -1.082 0.000 2.199 190 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.254 190 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.254 190 G C -0.081 174.727 174.900 -0.153 0.000 0.982 190 G CA 0.100 44.869 45.100 -0.552 0.000 0.632 190 G HN 0.801 nan 8.290 nan 0.000 0.529 191 Y N 1.997 122.165 120.300 -0.220 0.000 2.597 191 Y HA 0.431 4.980 4.550 -0.001 0.000 0.336 191 Y C 1.049 176.959 175.900 0.017 0.000 1.216 191 Y CA 1.758 59.795 58.100 -0.105 0.000 1.463 191 Y CB 0.735 39.146 38.460 -0.082 0.000 1.303 191 Y HN 0.892 nan 8.280 nan 0.000 0.576 192 G N 1.619 110.036 108.800 -0.639 0.000 2.552 192 G HA2 0.468 4.428 3.960 -0.001 0.000 0.137 192 G HA3 0.468 4.428 3.960 -0.001 0.000 0.137 192 G C -0.001 174.661 174.900 -0.396 0.000 1.135 192 G CA 0.091 44.930 45.100 -0.434 0.000 1.047 192 G HN 1.646 nan 8.290 nan 0.000 0.501 193 G N -0.246 108.456 108.800 -0.163 0.000 2.601 193 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.252 193 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.252 193 G C 0.983 175.805 174.900 -0.131 0.000 1.294 193 G CA 0.883 45.908 45.100 -0.125 0.000 0.912 193 G HN 1.027 nan 8.290 nan 0.000 0.574 194 K N -0.091 120.235 120.400 -0.123 0.000 2.032 194 K HA -0.136 4.184 4.320 -0.001 0.000 0.209 194 K C 2.581 179.092 176.600 -0.148 0.000 1.048 194 K CA 2.184 58.404 56.287 -0.111 0.000 0.927 194 K CB -0.667 31.764 32.500 -0.115 0.000 0.712 194 K HN 0.690 nan 8.250 nan 0.000 0.441 195 Q N 0.333 119.988 119.800 -0.242 0.000 2.050 195 Q HA -0.127 4.212 4.340 -0.001 0.000 0.202 195 Q C 2.022 177.944 176.000 -0.129 0.000 0.980 195 Q CA 1.707 57.357 55.803 -0.255 0.000 0.840 195 Q CB -0.112 28.427 28.738 -0.331 0.000 0.898 195 Q HN 0.276 nan 8.270 nan 0.000 0.424 196 A N 0.509 123.166 122.820 -0.271 0.000 1.883 196 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 196 A C 2.286 179.851 177.584 -0.032 0.000 1.186 196 A CA 1.836 53.720 52.037 -0.255 0.000 0.624 196 A CB -1.452 17.276 19.000 -0.452 0.000 0.822 196 A HN 0.624 nan 8.150 nan 0.000 0.444 197 G N -1.144 107.676 108.800 0.033 0.000 2.422 197 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.218 197 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.218 197 G C 1.601 176.577 174.900 0.128 0.000 1.146 197 G CA 0.946 46.132 45.100 0.144 0.000 0.769 197 G HN 0.661 nan 8.290 nan 0.000 0.547 198 Q N -0.288 119.544 119.800 0.054 0.000 2.119 198 Q HA 0.060 4.399 4.340 -0.001 0.000 0.201 198 Q C 2.588 178.607 176.000 0.033 0.000 0.972 198 Q CA 0.722 56.563 55.803 0.062 0.000 0.847 198 Q CB -0.128 28.655 28.738 0.074 0.000 0.903 198 Q HN 0.514 nan 8.270 nan 0.000 0.433 199 I N -0.658 119.900 120.570 -0.021 0.000 2.163 199 I HA -0.265 3.904 4.170 -0.001 0.000 0.240 199 I C 1.912 177.949 176.117 -0.134 0.000 1.081 199 I CA 1.399 62.610 61.300 -0.149 0.000 1.353 199 I CB -0.367 37.484 38.000 -0.250 0.000 1.054 199 I HN 0.328 nan 8.210 nan 0.000 0.407 200 W N 0.934 122.215 121.300 -0.031 0.000 2.338 200 W HA -0.214 4.445 4.660 -0.001 0.000 0.304 200 W C 2.937 179.532 176.519 0.127 0.000 1.212 200 W CA 0.899 58.210 57.345 -0.057 0.000 1.264 200 W CB -0.386 29.039 29.460 -0.058 0.000 1.142 200 W HN -0.003 nan 8.180 nan 0.000 0.512 201 S N -0.341 115.587 115.700 0.381 0.000 2.368 201 S HA -0.182 4.287 4.470 -0.001 0.000 0.225 201 S C 1.629 176.374 174.600 0.242 0.000 1.030 201 S CA 1.852 60.246 58.200 0.323 0.000 0.999 201 S CB -0.824 62.498 63.200 0.202 0.000 0.844 201 S HN 0.237 nan 8.310 nan 0.000 0.459 202 T N 2.769 117.403 114.554 0.134 0.000 2.746 202 T HA 0.002 4.351 4.350 -0.001 0.000 0.267 202 T C 1.736 176.500 174.700 0.107 0.000 1.039 202 T CA 1.097 63.246 62.100 0.082 0.000 1.142 202 T CB -0.422 68.431 68.868 -0.025 0.000 0.866 202 T HN 0.302 nan 8.240 nan 0.000 0.444 203 I N -0.251 120.372 120.570 0.089 0.000 2.099 203 I HA -0.220 3.949 4.170 -0.001 0.000 0.239 203 I C 2.195 178.433 176.117 0.202 0.000 1.066 203 I CA 1.781 63.130 61.300 0.082 0.000 1.324 203 I CB -0.478 37.505 38.000 -0.027 0.000 1.037 203 I HN 0.279 nan 8.210 nan 0.000 0.401 204 Y N 0.392 120.860 120.300 0.280 0.000 2.224 204 Y HA -0.286 4.264 4.550 -0.001 0.000 0.289 204 Y C 2.721 178.778 175.900 0.262 0.000 1.146 204 Y CA 1.031 59.320 58.100 0.315 0.000 1.182 204 Y CB -0.241 38.383 38.460 0.272 0.000 0.983 204 Y HN 0.164 nan 8.280 nan 0.000 0.524 205 Q N -0.021 119.978 119.800 0.331 0.000 2.297 205 Q HA -0.107 4.233 4.340 -0.001 0.000 0.204 205 Q C 0.492 176.563 176.000 0.117 0.000 0.962 205 Q CA 1.073 56.995 55.803 0.198 0.000 0.879 205 Q CB -0.067 28.762 28.738 0.150 0.000 0.947 205 Q HN 0.338 nan 8.270 nan 0.000 0.462 206 D N -0.047 120.409 120.400 0.094 0.000 2.413 206 D HA -0.016 4.623 4.640 -0.001 0.000 0.237 206 D C -0.296 175.881 176.300 -0.205 0.000 1.171 206 D CA 0.073 54.045 54.000 -0.046 0.000 0.839 206 D CB -0.319 40.442 40.800 -0.064 0.000 0.950 206 D HN 0.060 nan 8.370 nan 0.000 0.499 207 N N 1.000 119.663 118.700 -0.062 0.000 3.034 207 N HA 0.033 4.773 4.740 -0.001 0.000 0.265 207 N C -1.481 173.971 175.510 -0.097 0.000 1.166 207 N CA -0.191 52.791 53.050 -0.112 0.000 1.081 207 N CB -0.422 38.246 38.487 0.303 0.000 1.378 207 N HN -0.074 nan 8.380 nan 0.000 0.520 208 C N 3.409 122.518 119.300 -0.318 0.000 2.547 208 C HA 0.443 4.902 4.460 -0.001 0.000 0.327 208 C C -0.371 174.428 174.990 -0.318 0.000 1.076 208 C CA -0.959 57.949 59.018 -0.183 0.000 1.390 208 C CB -0.990 26.680 27.740 -0.117 0.000 1.918 208 C HN 0.385 nan 8.230 nan 0.000 0.438 209 F N 0.831 120.731 119.950 -0.084 0.000 2.408 209 F HA 0.429 4.956 4.527 -0.001 0.000 0.325 209 F C 1.347 177.126 175.800 -0.035 0.000 1.082 209 F CA -0.300 57.662 58.000 -0.064 0.000 1.032 209 F CB 0.633 39.596 39.000 -0.062 0.000 1.259 209 F HN 0.276 nan 8.300 nan 0.000 0.503 210 T N 3.456 118.113 114.554 0.173 0.000 2.831 210 T HA 0.141 4.491 4.350 -0.001 0.000 0.291 210 T C 0.400 175.151 174.700 0.084 0.000 0.981 210 T CA 0.146 62.302 62.100 0.094 0.000 1.174 210 T CB -0.507 68.409 68.868 0.080 0.000 0.929 210 T HN 0.218 nan 8.240 nan 0.000 0.532 211 I N 2.669 123.271 120.570 0.054 0.000 2.634 211 I HA 0.335 4.504 4.170 -0.001 0.000 0.284 211 I C 1.556 177.690 176.117 0.027 0.000 1.124 211 I CA 0.540 61.863 61.300 0.038 0.000 1.417 211 I CB 0.830 38.846 38.000 0.026 0.000 1.396 211 I HN 0.929 nan 8.210 nan 0.000 0.571 212 G N 3.693 112.504 108.800 0.018 0.000 2.213 212 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.226 212 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.226 212 G C 0.213 175.119 174.900 0.011 0.000 0.992 212 G CA -0.535 44.572 45.100 0.012 0.000 0.632 212 G HN 0.543 nan 8.290 nan 0.000 0.511 213 E N 0.977 121.186 120.200 0.015 0.000 2.369 213 E HA 0.413 4.762 4.350 -0.001 0.000 0.255 213 E C 2.006 178.601 176.600 -0.009 0.000 1.172 213 E CA 0.369 56.775 56.400 0.010 0.000 0.932 213 E CB 0.456 30.170 29.700 0.023 0.000 1.040 213 E HN 0.407 nan 8.360 nan 0.000 0.454 214 T N -0.840 113.706 114.554 -0.014 0.000 2.502 214 T HA -0.148 4.202 4.350 -0.001 0.000 0.258 214 T C 1.267 175.937 174.700 -0.051 0.000 1.146 214 T CA 1.133 63.218 62.100 -0.025 0.000 1.208 214 T CB -0.611 68.246 68.868 -0.020 0.000 0.864 214 T HN 0.525 nan 8.240 nan 0.000 0.402 215 G N 1.609 110.365 108.800 -0.073 0.000 4.464 215 G HA2 0.435 4.394 3.960 -0.001 0.000 0.297 215 G HA3 0.435 4.394 3.960 -0.001 0.000 0.297 215 G C 0.637 175.438 174.900 -0.166 0.000 1.342 215 G CA 0.211 45.233 45.100 -0.131 0.000 1.335 215 G HN 0.713 nan 8.290 nan 0.000 0.609 216 E N -0.166 119.963 120.200 -0.119 0.000 2.150 216 E HA -0.104 4.245 4.350 -0.001 0.000 0.193 216 E C 2.045 178.560 176.600 -0.142 0.000 0.985 216 E CA 1.830 58.160 56.400 -0.118 0.000 0.814 216 E CB -0.098 29.596 29.700 -0.011 0.000 0.752 216 E HN 0.206 nan 8.360 nan 0.000 0.466 217 S N 0.030 115.655 115.700 -0.124 0.000 2.395 217 S HA 0.076 4.545 4.470 -0.001 0.000 0.225 217 S C 1.746 176.246 174.600 -0.166 0.000 1.027 217 S CA 0.859 58.994 58.200 -0.109 0.000 0.965 217 S CB -0.226 62.917 63.200 -0.095 0.000 0.812 217 S HN 0.269 nan 8.310 nan 0.000 0.482 218 L N 1.115 122.170 121.223 -0.281 0.000 2.046 218 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 218 L C 2.777 179.537 176.870 -0.183 0.000 1.077 218 L CA 1.270 55.829 54.840 -0.468 0.000 0.747 218 L CB -0.692 40.861 42.059 -0.843 0.000 0.896 218 L HN 0.306 nan 8.230 nan 0.000 0.432 219 A N 0.287 122.944 122.820 -0.271 0.000 1.930 219 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 219 A C 2.357 179.647 177.584 -0.490 0.000 1.175 219 A CA 1.915 53.661 52.037 -0.484 0.000 0.627 219 A CB -0.398 17.876 19.000 -1.210 0.000 0.815 219 A HN 0.312 nan 8.150 nan 0.000 0.443 220 K N -0.279 119.948 120.400 -0.288 0.000 2.097 220 K HA -0.175 4.144 4.320 -0.001 0.000 0.206 220 K C 1.143 177.879 176.600 0.227 0.000 1.049 220 K CA 1.773 58.124 56.287 0.106 0.000 0.933 220 K CB -0.120 32.456 32.500 0.127 0.000 0.717 220 K HN 0.377 nan 8.250 nan 0.000 0.442 221 D N 0.119 120.613 120.400 0.157 0.000 2.123 221 D HA -0.055 4.585 4.640 -0.001 0.000 0.200 221 D C 1.795 178.299 176.300 0.340 0.000 0.976 221 D CA 1.286 55.426 54.000 0.234 0.000 0.831 221 D CB -0.265 40.629 40.800 0.156 0.000 0.974 221 D HN 0.333 nan 8.370 nan 0.000 0.469 222 A N 0.615 123.688 122.820 0.421 0.000 1.877 222 A HA -0.171 4.148 4.320 -0.001 0.000 0.216 222 A C 2.123 180.071 177.584 0.606 0.000 1.186 222 A CA 1.065 53.455 52.037 0.587 0.000 0.620 222 A CB -1.088 18.446 19.000 0.891 0.000 0.822 222 A HN 0.242 nan 8.150 nan 0.000 0.443 223 F N -0.657 119.485 119.950 0.319 0.000 2.095 223 F HA -0.237 4.289 4.527 -0.001 0.000 0.298 223 F C 2.168 178.187 175.800 0.366 0.000 1.104 223 F CA 2.067 60.275 58.000 0.347 0.000 1.232 223 F CB -0.651 38.422 39.000 0.121 0.000 0.987 223 F HN 0.402 nan 8.300 nan 0.000 0.475 224 Y N 0.961 121.425 120.300 0.272 0.000 2.128 224 Y HA -0.235 4.315 4.550 -0.001 0.000 0.284 224 Y C 2.752 178.736 175.900 0.140 0.000 1.154 224 Y CA 2.295 60.516 58.100 0.200 0.000 1.149 224 Y CB -0.734 37.876 38.460 0.250 0.000 0.976 224 Y HN 0.055 nan 8.280 nan 0.000 0.505 225 R N 0.020 120.521 120.500 0.002 0.000 2.081 225 R HA -0.147 4.193 4.340 -0.001 0.000 0.235 225 R C 2.312 178.622 176.300 0.017 0.000 1.131 225 R CA 1.814 57.851 56.100 -0.105 0.000 0.960 225 R CB -0.439 29.721 30.300 -0.233 0.000 0.856 225 R HN 0.458 nan 8.270 nan 0.000 0.436 226 L N -0.270 121.045 121.223 0.153 0.000 2.012 226 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 226 L C 2.351 179.153 176.870 -0.112 0.000 1.073 226 L CA 1.201 56.078 54.840 0.062 0.000 0.748 226 L CB -0.452 41.700 42.059 0.155 0.000 0.891 226 L HN 0.098 nan 8.230 nan 0.000 0.431 227 V N -1.162 118.634 119.914 -0.197 0.000 2.343 227 V HA -0.295 3.825 4.120 -0.001 0.000 0.247 227 V C 2.685 178.725 176.094 -0.089 0.000 1.051 227 V CA 1.999 64.185 62.300 -0.190 0.000 1.036 227 V CB -0.362 31.122 31.823 -0.565 0.000 0.654 227 V HN 0.458 nan 8.190 nan 0.000 0.451 228 S N 0.416 116.013 115.700 -0.172 0.000 2.368 228 S HA -0.130 4.339 4.470 -0.001 0.000 0.225 228 S C 2.080 176.658 174.600 -0.037 0.000 1.030 228 S CA 1.750 59.872 58.200 -0.131 0.000 0.999 228 S CB -0.604 62.349 63.200 -0.411 0.000 0.844 228 S HN 0.638 nan 8.310 nan 0.000 0.459 229 G N 0.271 109.089 108.800 0.029 0.000 2.422 229 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.218 229 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.218 229 G C 1.252 176.276 174.900 0.208 0.000 1.146 229 G CA 0.873 46.051 45.100 0.130 0.000 0.769 229 G HN 0.582 nan 8.290 nan 0.000 0.547 230 F N 0.995 120.958 119.950 0.023 0.000 2.113 230 F HA -0.011 4.515 4.527 -0.001 0.000 0.297 230 F C 2.221 178.132 175.800 0.185 0.000 1.103 230 F CA 1.718 59.806 58.000 0.148 0.000 1.248 230 F CB -1.018 38.040 39.000 0.096 0.000 0.999 230 F HN 0.369 nan 8.300 nan 0.000 0.475 231 H N -0.461 118.380 119.070 -0.382 0.000 2.319 231 H HA -0.097 4.458 4.556 -0.001 0.000 0.299 231 H C 2.248 177.350 175.328 -0.376 0.000 1.092 231 H CA 1.028 56.612 56.048 -0.774 0.000 1.302 231 H CB -0.023 29.151 29.762 -0.979 0.000 1.373 231 H HN 0.354 nan 8.280 nan 0.000 0.497 232 A N -0.303 122.446 122.820 -0.118 0.000 1.898 232 A HA -0.175 4.145 4.320 -0.001 0.000 0.216 232 A C 2.548 180.166 177.584 0.056 0.000 1.181 232 A CA 1.588 53.570 52.037 -0.092 0.000 0.620 232 A CB -0.939 18.031 19.000 -0.049 0.000 0.819 232 A HN 0.471 nan 8.150 nan 0.000 0.442 233 S N -0.377 115.410 115.700 0.145 0.000 2.359 233 S HA -0.152 4.317 4.470 -0.001 0.000 0.224 233 S C 1.877 176.667 174.600 0.317 0.000 1.035 233 S CA 1.608 59.966 58.200 0.264 0.000 1.018 233 S CB -0.508 62.891 63.200 0.332 0.000 0.876 233 S HN 0.497 nan 8.310 nan 0.000 0.448 234 I N 0.975 121.660 120.570 0.192 0.000 2.226 234 I HA -0.095 4.075 4.170 -0.001 0.000 0.245 234 I C 2.652 178.908 176.117 0.231 0.000 1.100 234 I CA 1.122 62.536 61.300 0.191 0.000 1.374 234 I CB -0.773 37.321 38.000 0.157 0.000 1.057 234 I HN 0.426 nan 8.210 nan 0.000 0.413 235 G N 0.038 108.928 108.800 0.149 0.000 2.422 235 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.218 235 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.218 235 G C 1.656 176.654 174.900 0.163 0.000 1.146 235 G CA 1.384 46.550 45.100 0.110 0.000 0.769 235 G HN 0.285 nan 8.290 nan 0.000 0.547 236 T N -0.042 114.635 114.554 0.205 0.000 2.777 236 T HA -0.042 4.307 4.350 -0.001 0.000 0.266 236 T C 2.046 176.886 174.700 0.233 0.000 1.040 236 T CA 0.983 63.246 62.100 0.271 0.000 1.141 236 T CB -0.318 68.692 68.868 0.237 0.000 0.868 236 T HN 0.399 nan 8.240 nan 0.000 0.444 237 H N 1.070 120.242 119.070 0.170 0.000 2.357 237 H HA -0.015 4.540 4.556 -0.001 0.000 0.301 237 H C 2.313 177.764 175.328 0.204 0.000 1.082 237 H CA 1.522 57.649 56.048 0.131 0.000 1.342 237 H CB -0.168 29.610 29.762 0.026 0.000 1.389 237 H HN 0.340 nan 8.280 nan 0.000 0.511 238 L N -0.776 120.673 121.223 0.377 0.000 2.291 238 L HA 0.055 4.395 4.340 -0.001 0.000 0.214 238 L C 2.097 179.227 176.870 0.434 0.000 1.120 238 L CA 1.106 56.222 54.840 0.460 0.000 0.799 238 L CB -0.376 42.001 42.059 0.530 0.000 0.925 238 L HN -0.098 nan 8.230 nan 0.000 0.446 239 S N -0.311 115.584 115.700 0.325 0.000 2.406 239 S HA -0.034 4.436 4.470 -0.001 0.000 0.224 239 S C 1.902 176.776 174.600 0.458 0.000 1.030 239 S CA 0.760 59.114 58.200 0.255 0.000 0.958 239 S CB -0.206 63.051 63.200 0.095 0.000 0.811 239 S HN 0.484 nan 8.310 nan 0.000 0.489 240 K N 1.259 121.941 120.400 0.470 0.000 2.031 240 K HA -0.023 4.296 4.320 -0.001 0.000 0.205 240 K C -0.054 176.693 176.600 0.245 0.000 1.049 240 K CA 1.067 57.545 56.287 0.319 0.000 0.939 240 K CB 0.065 32.612 32.500 0.078 0.000 0.717 240 K HN 0.136 nan 8.250 nan 0.000 0.438 241 E N 0.900 121.273 120.200 0.288 0.000 2.282 241 E HA 0.037 4.386 4.350 -0.001 0.000 0.247 241 E C -1.396 175.577 176.600 0.622 0.000 1.113 241 E CA -0.305 56.300 56.400 0.342 0.000 1.095 241 E CB -0.122 29.671 29.700 0.155 0.000 1.328 241 E HN 0.190 nan 8.360 nan 0.000 0.463 242 Y N 1.011 121.559 120.300 0.414 0.000 2.387 242 Y HA 0.333 4.882 4.550 -0.001 0.000 0.336 242 Y C -0.516 175.448 175.900 0.106 0.000 1.067 242 Y CA -1.265 57.000 58.100 0.276 0.000 1.114 242 Y CB 1.148 39.600 38.460 -0.013 0.000 1.208 242 Y HN 0.256 nan 8.280 nan 0.000 0.458 243 L N 6.558 127.412 121.223 -0.614 0.000 2.283 243 L HA 0.300 4.639 4.340 -0.001 0.000 0.287 243 L C -0.596 175.888 176.870 -0.643 0.000 1.073 243 L CA -0.052 54.192 54.840 -0.993 0.000 0.822 243 L CB -0.085 41.113 42.059 -1.435 0.000 1.186 243 L HN 0.741 nan 8.230 nan 0.000 0.436 244 N N 2.157 120.627 118.700 -0.384 0.000 2.402 244 N HA -0.006 4.733 4.740 -0.001 0.000 0.259 244 N C 1.085 176.376 175.510 -0.365 0.000 1.167 244 N CA 0.531 53.460 53.050 -0.202 0.000 0.949 244 N CB 0.675 39.109 38.487 -0.087 0.000 1.212 244 N HN 0.722 nan 8.380 nan 0.000 0.493 245 T N 0.574 114.921 114.554 -0.345 0.000 3.118 245 T HA -0.085 4.265 4.350 -0.001 0.000 0.269 245 T C 0.953 175.696 174.700 0.070 0.000 1.166 245 T CA 1.009 62.936 62.100 -0.289 0.000 1.073 245 T CB -0.209 68.614 68.868 -0.076 0.000 0.884 245 T HN 0.501 nan 8.240 nan 0.000 0.550 246 K N 0.424 120.830 120.400 0.010 0.000 2.367 246 K HA 0.115 4.434 4.320 -0.001 0.000 0.195 246 K C 1.875 178.537 176.600 0.104 0.000 1.060 246 K CA 0.923 57.259 56.287 0.082 0.000 1.022 246 K CB 0.685 33.207 32.500 0.036 0.000 0.894 246 K HN 0.572 nan 8.250 nan 0.000 0.540 247 T N -4.547 110.045 114.554 0.063 0.000 3.080 247 T HA 0.184 4.533 4.350 -0.001 0.000 0.280 247 T C 1.279 176.041 174.700 0.103 0.000 0.926 247 T CA 0.395 62.546 62.100 0.086 0.000 0.883 247 T CB 0.892 69.783 68.868 0.039 0.000 1.194 247 T HN 0.176 nan 8.240 nan 0.000 0.541 248 G N 2.091 110.887 108.800 -0.007 0.000 2.175 248 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.265 248 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.265 248 G C -0.118 174.668 174.900 -0.191 0.000 0.979 248 G CA 0.569 45.616 45.100 -0.089 0.000 0.663 248 G HN 0.720 nan 8.290 nan 0.000 0.533 249 K N -0.748 119.556 120.400 -0.160 0.000 2.130 249 K HA 0.451 4.770 4.320 -0.001 0.000 0.268 249 K C -0.461 176.057 176.600 -0.137 0.000 0.983 249 K CA -0.845 55.403 56.287 -0.065 0.000 0.893 249 K CB 1.000 33.517 32.500 0.028 0.000 1.066 249 K HN 0.187 nan 8.250 nan 0.000 0.450 250 W N 3.210 124.512 121.300 0.003 0.000 2.345 250 W HA 0.149 4.809 4.660 -0.001 0.000 0.308 250 W C 0.315 176.857 176.519 0.038 0.000 1.273 250 W CA -0.065 57.293 57.345 0.021 0.000 1.243 250 W CB 0.470 29.950 29.460 0.033 0.000 1.260 250 W HN 0.578 nan 8.180 nan 0.000 0.509 251 E N 2.786 123.137 120.200 0.252 0.000 2.433 251 E HA 0.529 4.879 4.350 -0.001 0.000 0.278 251 E C -2.893 173.816 176.600 0.181 0.000 0.976 251 E CA -2.842 53.657 56.400 0.165 0.000 0.793 251 E CB 1.747 31.502 29.700 0.092 0.000 1.311 251 E HN -0.062 nan 8.360 nan 0.000 0.460 252 P HA 0.040 nan 4.420 nan 0.000 0.268 252 P C -0.873 176.548 177.300 0.201 0.000 1.204 252 P CA -0.101 63.076 63.100 0.129 0.000 0.768 252 P CB 0.305 31.916 31.700 -0.148 0.000 0.842 253 N N 3.439 122.301 118.700 0.270 0.000 2.706 253 N HA 0.074 4.814 4.740 -0.001 0.000 0.240 253 N C 0.614 176.159 175.510 0.059 0.000 1.039 253 N CA -0.374 52.675 53.050 -0.001 0.000 0.888 253 N CB 0.018 38.225 38.487 -0.466 0.000 1.128 253 N HN 0.133 nan 8.380 nan 0.000 0.512 254 L N 2.976 124.307 121.223 0.180 0.000 2.043 254 L HA -0.115 4.225 4.340 -0.001 0.000 0.212 254 L C 1.250 178.108 176.870 -0.019 0.000 1.075 254 L CA 2.005 56.928 54.840 0.137 0.000 0.752 254 L CB -0.243 41.944 42.059 0.213 0.000 0.891 254 L HN 0.468 nan 8.230 nan 0.000 0.432 255 D N -0.699 119.666 120.400 -0.059 0.000 2.144 255 D HA -0.186 4.454 4.640 -0.001 0.000 0.199 255 D C 2.179 178.385 176.300 -0.155 0.000 0.984 255 D CA 1.472 55.416 54.000 -0.093 0.000 0.834 255 D CB -0.085 40.653 40.800 -0.103 0.000 0.955 255 D HN 0.340 nan 8.370 nan 0.000 0.465 256 L N 0.398 121.486 121.223 -0.226 0.000 2.027 256 L HA 0.015 4.355 4.340 -0.001 0.000 0.206 256 L C 0.957 177.692 176.870 -0.225 0.000 1.074 256 L CA 0.907 55.603 54.840 -0.240 0.000 0.745 256 L CB -0.702 41.151 42.059 -0.344 0.000 0.898 256 L HN -0.116 nan 8.230 nan 0.000 0.433 260 R N 0.048 120.431 120.500 -0.196 0.000 2.237 260 R HA 0.405 4.744 4.340 -0.001 0.000 0.195 260 R C 1.118 177.237 176.300 -0.303 0.000 0.956 260 R CA 1.155 57.109 56.100 -0.243 0.000 1.029 260 R CB 0.229 30.405 30.300 -0.207 0.000 0.972 260 R HN 0.556 nan 8.270 nan 0.000 0.493 261 I N -2.326 117.961 120.570 -0.472 0.000 3.680 261 I HA 0.122 4.291 4.170 -0.001 0.000 0.261 261 I C 2.006 177.807 176.117 -0.528 0.000 1.121 261 I CA 0.916 61.886 61.300 -0.549 0.000 1.429 261 I CB -1.415 36.046 38.000 -0.899 0.000 1.719 261 I HN 0.069 nan 8.210 nan 0.000 0.413 262 G N 2.938 111.132 108.800 -1.010 0.000 2.597 262 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.222 262 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.222 262 G C 1.074 175.767 174.900 -0.345 0.000 1.135 262 G CA 1.288 46.070 45.100 -0.530 0.000 0.759 262 G HN 0.376 nan 8.290 nan 0.000 0.595 263 N N -0.087 118.379 118.700 -0.391 0.000 2.314 263 N HA 0.140 4.879 4.740 -0.001 0.000 0.200 263 N C -0.675 174.303 175.510 -0.887 0.000 1.135 263 N CA 0.184 52.887 53.050 -0.577 0.000 0.835 263 N CB 0.231 38.327 38.487 -0.652 0.000 0.989 263 N HN 0.296 nan 8.380 nan 0.000 0.478 264 F N -0.314 119.525 119.950 -0.186 0.000 2.710 264 F HA 0.349 4.875 4.527 -0.001 0.000 0.345 264 F C -1.735 174.009 175.800 -0.095 0.000 1.362 264 F CA -1.807 56.112 58.000 -0.136 0.000 1.175 264 F CB 1.841 40.744 39.000 -0.161 0.000 1.561 264 F HN -0.173 nan 8.300 nan 0.000 0.593 265 P HA -0.256 nan 4.420 nan 0.000 0.218 265 P C 1.414 178.789 177.300 0.124 0.000 1.150 265 P CA 1.823 64.962 63.100 0.064 0.000 0.841 265 P CB 0.160 31.873 31.700 0.022 0.000 0.784 266 D N -0.515 119.956 120.400 0.118 0.000 2.219 266 D HA -0.174 4.466 4.640 -0.001 0.000 0.205 266 D C 1.684 178.061 176.300 0.129 0.000 0.970 266 D CA 0.990 55.069 54.000 0.131 0.000 0.851 266 D CB -0.650 40.221 40.800 0.119 0.000 0.943 266 D HN 0.225 nan 8.370 nan 0.000 0.488 267 R N 0.492 121.049 120.500 0.095 0.000 2.115 267 R HA 0.014 4.354 4.340 -0.001 0.000 0.226 267 R C 2.586 178.943 176.300 0.096 0.000 1.100 267 R CA 0.652 56.776 56.100 0.041 0.000 0.980 267 R CB -0.179 30.092 30.300 -0.049 0.000 0.875 267 R HN 0.106 nan 8.270 nan 0.000 0.445 268 V N 0.545 120.541 119.914 0.137 0.000 2.358 268 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 268 V C 2.101 178.341 176.094 0.243 0.000 1.047 268 V CA 2.079 64.493 62.300 0.190 0.000 1.035 268 V CB -0.515 31.440 31.823 0.220 0.000 0.658 268 V HN 0.353 nan 8.190 nan 0.000 0.452 269 T N 0.067 114.805 114.554 0.306 0.000 2.720 269 T HA -0.131 4.219 4.350 -0.001 0.000 0.268 269 T C 0.904 175.807 174.700 0.338 0.000 1.037 269 T CA 1.051 63.398 62.100 0.411 0.000 1.144 269 T CB -0.441 68.652 68.868 0.375 0.000 0.864 269 T HN 0.614 nan 8.240 nan 0.000 0.444 273 F N 2.191 122.317 119.950 0.292 0.000 2.069 273 F HA -0.193 4.333 4.527 -0.001 0.000 0.298 273 F C 1.708 177.649 175.800 0.234 0.000 1.113 273 F CA 2.427 60.574 58.000 0.246 0.000 1.214 273 F CB -0.350 38.772 39.000 0.204 0.000 0.978 273 F HN -0.026 nan 8.300 nan 0.000 0.474 274 N N -0.495 118.349 118.700 0.240 0.000 2.104 274 N HA -0.252 4.488 4.740 -0.001 0.000 0.190 274 N C 1.769 177.393 175.510 0.191 0.000 1.024 274 N CA 1.674 54.833 53.050 0.180 0.000 0.853 274 N CB -1.091 37.611 38.487 0.357 0.000 1.008 274 N HN 0.518 nan 8.380 nan 0.000 0.424 275 Y N 1.227 121.593 120.300 0.110 0.000 2.165 275 Y HA -0.192 4.357 4.550 -0.001 0.000 0.286 275 Y C 2.236 178.241 175.900 0.175 0.000 1.155 275 Y CA 1.864 60.053 58.100 0.149 0.000 1.164 275 Y CB -0.404 38.061 38.460 0.008 0.000 0.978 275 Y HN 0.097 nan 8.280 nan 0.000 0.513 276 A N -0.937 122.044 122.820 0.268 0.000 1.930 276 A HA -0.129 4.190 4.320 -0.001 0.000 0.217 276 A C 2.322 179.911 177.584 0.007 0.000 1.175 276 A CA 1.802 53.960 52.037 0.203 0.000 0.627 276 A CB -1.251 17.864 19.000 0.191 0.000 0.815 276 A HN 0.335 nan 8.150 nan 0.000 0.443 277 V N -0.401 119.400 119.914 -0.188 0.000 2.295 277 V HA -0.226 3.893 4.120 -0.001 0.000 0.246 277 V C 2.583 178.530 176.094 -0.245 0.000 1.049 277 V CA 2.077 64.209 62.300 -0.281 0.000 1.024 277 V CB -0.730 30.852 31.823 -0.403 0.000 0.648 277 V HN 0.372 nan 8.190 nan 0.000 0.447 278 V N 0.218 120.013 119.914 -0.199 0.000 2.358 278 V HA -0.209 3.910 4.120 -0.001 0.000 0.246 278 V C 2.689 178.487 176.094 -0.493 0.000 1.047 278 V CA 1.869 63.997 62.300 -0.287 0.000 1.035 278 V CB -1.112 30.608 31.823 -0.172 0.000 0.658 278 V HN 0.550 nan 8.190 nan 0.000 0.452 279 A N -0.241 122.254 122.820 -0.542 0.000 1.933 279 A HA -0.272 4.048 4.320 -0.001 0.000 0.218 279 A C 2.341 179.606 177.584 -0.532 0.000 1.175 279 A CA 2.209 53.852 52.037 -0.656 0.000 0.628 279 A CB -0.467 18.367 19.000 -0.275 0.000 0.814 279 A HN 0.527 nan 8.150 nan 0.000 0.444 280 K N -0.415 119.645 120.400 -0.567 0.000 2.097 280 K HA -0.021 4.298 4.320 -0.001 0.000 0.205 280 K C 2.104 178.405 176.600 -0.498 0.000 1.050 280 K CA 1.052 56.770 56.287 -0.949 0.000 0.938 280 K CB -0.285 31.853 32.500 -0.603 0.000 0.718 280 K HN 0.371 nan 8.250 nan 0.000 0.442 281 A N 1.042 123.637 122.820 -0.376 0.000 1.930 281 A HA -0.088 4.231 4.320 -0.001 0.000 0.217 281 A C 2.026 179.459 177.584 -0.252 0.000 1.175 281 A CA 1.068 52.934 52.037 -0.285 0.000 0.627 281 A CB -0.439 18.391 19.000 -0.283 0.000 0.815 281 A HN 0.293 nan 8.150 nan 0.000 0.443 282 L N -1.704 119.335 121.223 -0.307 0.000 2.109 282 L HA -0.152 4.187 4.340 -0.001 0.000 0.207 282 L C 2.594 179.373 176.870 -0.152 0.000 1.086 282 L CA 1.139 55.828 54.840 -0.251 0.000 0.760 282 L CB -0.442 41.389 42.059 -0.379 0.000 0.910 282 L HN 0.804 nan 8.230 nan 0.000 0.437 283 W N 1.441 122.515 121.300 -0.377 0.000 2.381 283 W HA -0.184 4.476 4.660 -0.001 0.000 0.301 283 W C 2.093 178.486 176.519 -0.211 0.000 1.205 283 W CA 1.100 58.266 57.345 -0.299 0.000 1.285 283 W CB 0.021 29.180 29.460 -0.500 0.000 1.133 283 W HN 0.024 nan 8.180 nan 0.000 0.521 284 K N 1.043 121.348 120.400 -0.158 0.000 2.147 284 K HA -0.167 4.153 4.320 -0.001 0.000 0.205 284 K C 1.942 178.499 176.600 -0.073 0.000 1.049 284 K CA 1.908 58.113 56.287 -0.136 0.000 0.936 284 K CB -0.865 31.586 32.500 -0.082 0.000 0.722 284 K HN 0.581 nan 8.250 nan 0.000 0.446 285 I N -1.892 118.627 120.570 -0.084 0.000 2.852 285 I HA -0.078 4.091 4.170 -0.001 0.000 0.264 285 I C 2.416 178.518 176.117 -0.025 0.000 1.179 285 I CA 0.560 61.866 61.300 0.010 0.000 1.480 285 I CB -0.372 37.609 38.000 -0.033 0.000 1.111 285 I HN 0.011 nan 8.210 nan 0.000 0.441 286 Q N 2.354 122.061 119.800 -0.155 0.000 2.142 286 Q HA -0.211 4.129 4.340 -0.001 0.000 0.213 286 Q C -0.582 175.250 176.000 -0.280 0.000 1.004 286 Q CA 3.004 58.688 55.803 -0.198 0.000 0.883 286 Q CB -1.114 27.455 28.738 -0.281 0.000 0.939 286 Q HN 0.423 nan 8.270 nan 0.000 0.413 287 P HA -0.089 nan 4.420 nan 0.000 0.230 287 P C -0.354 176.408 177.300 -0.897 0.000 1.158 287 P CA 1.113 63.772 63.100 -0.734 0.000 0.769 287 P CB -0.024 31.091 31.700 -0.976 0.000 0.807 288 Y N -2.168 118.077 120.300 -0.091 0.000 2.557 288 Y HA 0.272 4.822 4.550 -0.002 0.000 0.247 288 Y C 0.862 176.747 175.900 -0.024 0.000 1.164 288 Y CA -0.678 57.388 58.100 -0.058 0.000 1.218 288 Y CB -0.288 38.130 38.460 -0.071 0.000 1.210 288 Y HN -0.212 nan 8.280 nan 0.000 0.529 289 L N 4.860 126.116 121.223 0.055 0.000 2.499 289 L HA 0.117 4.456 4.340 -0.001 0.000 0.273 289 L C -1.866 175.082 176.870 0.131 0.000 1.195 289 L CA -1.529 53.389 54.840 0.130 0.000 0.882 289 L CB 0.389 42.545 42.059 0.162 0.000 1.133 289 L HN -0.014 nan 8.230 nan 0.000 0.483 290 P HA 0.124 nan 4.420 nan 0.000 0.280 290 P C -0.850 176.544 177.300 0.156 0.000 1.272 290 P CA -0.634 62.564 63.100 0.163 0.000 0.819 290 P CB 0.788 32.595 31.700 0.179 0.000 1.122 291 E N 1.083 121.344 120.200 0.101 0.000 2.323 291 E HA 0.042 4.391 4.350 -0.001 0.000 0.313 291 E C 0.689 177.388 176.600 0.165 0.000 1.236 291 E CA -0.041 56.404 56.400 0.074 0.000 1.333 291 E CB -1.103 28.661 29.700 0.105 0.000 1.138 291 E HN 0.420 nan 8.360 nan 0.000 0.492 292 F N -0.296 119.693 119.950 0.065 0.000 2.699 292 F HA -0.020 4.506 4.527 -0.002 0.000 0.298 292 F C 1.575 177.307 175.800 -0.114 0.000 1.154 292 F CA 0.589 58.582 58.000 -0.011 0.000 1.457 292 F CB -0.151 38.838 39.000 -0.019 0.000 1.106 292 F HN 0.135 nan 8.300 nan 0.000 0.585 293 S N -0.234 115.251 115.700 -0.359 0.000 2.593 293 S HA 0.052 4.521 4.470 -0.001 0.000 0.235 293 S C 1.687 176.141 174.600 -0.243 0.000 1.059 293 S CA 0.148 58.172 58.200 -0.293 0.000 0.953 293 S CB -1.470 61.445 63.200 -0.475 0.000 0.897 293 S HN 0.418 nan 8.310 nan 0.000 0.507 294 F N 3.622 123.458 119.950 -0.190 0.000 2.111 294 F HA -0.228 4.298 4.527 -0.001 0.000 0.300 294 F C 2.312 178.071 175.800 -0.068 0.000 1.088 294 F CA 1.135 59.062 58.000 -0.122 0.000 1.243 294 F CB -1.572 37.360 39.000 -0.114 0.000 0.996 294 F HN 0.462 nan 8.300 nan 0.000 0.483 295 c N -0.427 117.405 118.600 -1.281 0.000 2.491 295 c HA 0.068 4.637 4.570 -0.001 0.000 0.277 295 c C 0.942 174.834 174.090 -0.330 0.000 1.455 295 c CA -0.082 55.766 56.329 -0.801 0.000 1.758 295 c CB -1.663 40.288 42.510 -0.931 0.000 1.745 295 c HN 0.562 nan 8.230 nan 0.000 0.558 296 D N 0.686 120.936 120.400 -0.251 0.000 2.317 296 D HA 0.282 4.922 4.640 -0.001 0.000 0.234 296 D C 0.992 177.253 176.300 -0.065 0.000 1.112 296 D CA -0.239 53.690 54.000 -0.118 0.000 0.840 296 D CB 0.865 41.627 40.800 -0.064 0.000 1.078 296 D HN 0.354 nan 8.370 nan 0.000 0.486 297 L N 3.268 124.466 121.223 -0.041 0.000 1.971 297 L HA -0.242 4.098 4.340 -0.001 0.000 0.215 297 L C 2.453 179.323 176.870 -0.001 0.000 1.072 297 L CA 1.110 55.941 54.840 -0.015 0.000 0.758 297 L CB -0.419 41.634 42.059 -0.009 0.000 0.889 297 L HN 0.364 nan 8.230 nan 0.000 0.433 298 V N -0.144 119.775 119.914 0.009 0.000 2.255 298 V HA -0.273 3.847 4.120 -0.001 0.000 0.247 298 V C 1.514 177.632 176.094 0.040 0.000 1.051 298 V CA 1.937 64.255 62.300 0.031 0.000 1.018 298 V CB -0.586 31.265 31.823 0.046 0.000 0.641 298 V HN 0.528 nan 8.190 nan 0.000 0.445 299 N N -0.201 118.522 118.700 0.039 0.000 2.295 299 N HA 0.034 4.773 4.740 -0.001 0.000 0.221 299 N C 1.476 176.957 175.510 -0.048 0.000 1.129 299 N CA 0.008 53.075 53.050 0.029 0.000 0.836 299 N CB 0.236 38.780 38.487 0.096 0.000 1.040 299 N HN 0.531 nan 8.380 nan 0.000 0.494 300 K N 1.474 121.854 120.400 -0.034 0.000 2.052 300 K HA -0.168 4.152 4.320 -0.001 0.000 0.215 300 K C 0.859 177.422 176.600 -0.062 0.000 1.053 300 K CA 1.401 57.664 56.287 -0.040 0.000 0.934 300 K CB 0.244 32.742 32.500 -0.003 0.000 0.717 300 K HN 0.002 nan 8.250 nan 0.000 0.450 301 E N 0.513 120.686 120.200 -0.046 0.000 2.502 301 E HA -0.043 4.306 4.350 -0.001 0.000 0.194 301 E C 1.812 178.366 176.600 -0.076 0.000 1.062 301 E CA 0.065 56.432 56.400 -0.054 0.000 0.867 301 E CB 0.138 29.827 29.700 -0.018 0.000 0.888 301 E HN 0.363 nan 8.360 nan 0.000 0.510 302 I N 1.473 121.981 120.570 -0.103 0.000 2.151 302 I HA -0.297 3.872 4.170 -0.001 0.000 0.243 302 I C 2.365 178.397 176.117 -0.141 0.000 1.080 302 I CA 1.270 62.523 61.300 -0.078 0.000 1.339 302 I CB -0.915 36.988 38.000 -0.161 0.000 1.039 302 I HN 0.107 nan 8.210 nan 0.000 0.409 303 K N 1.277 121.407 120.400 -0.449 0.000 2.063 303 K HA -0.201 4.119 4.320 -0.001 0.000 0.208 303 K C 1.664 178.128 176.600 -0.226 0.000 1.048 303 K CA 1.503 57.431 56.287 -0.598 0.000 0.928 303 K CB -0.261 31.634 32.500 -1.008 0.000 0.713 303 K HN 0.353 nan 8.250 nan 0.000 0.442 304 N N 1.073 119.672 118.700 -0.169 0.000 2.216 304 N HA -0.071 4.668 4.740 -0.001 0.000 0.183 304 N C 0.603 176.091 175.510 -0.036 0.000 1.017 304 N CA 0.701 53.698 53.050 -0.089 0.000 0.861 304 N CB 0.045 38.488 38.487 -0.075 0.000 0.986 304 N HN 0.253 nan 8.380 nan 0.000 0.428 308 N N 1.377 120.094 118.700 0.028 0.000 2.120 308 N HA -0.119 4.620 4.740 -0.001 0.000 0.188 308 N C 1.674 177.224 175.510 0.066 0.000 1.024 308 N CA 2.042 55.117 53.050 0.041 0.000 0.852 308 N CB 0.104 38.612 38.487 0.034 0.000 1.003 308 N HN -0.018 nan 8.380 nan 0.000 0.424 309 V N 0.740 120.696 119.914 0.070 0.000 2.255 309 V HA -0.140 3.979 4.120 -0.001 0.000 0.243 309 V C 2.259 178.426 176.094 0.122 0.000 1.038 309 V CA 1.519 63.877 62.300 0.097 0.000 1.008 309 V CB -0.535 31.345 31.823 0.095 0.000 0.645 309 V HN 0.343 nan 8.190 nan 0.000 0.449 310 I N 0.473 121.100 120.570 0.094 0.000 2.264 310 I HA -0.254 3.915 4.170 -0.001 0.000 0.248 310 I C 2.498 178.771 176.117 0.259 0.000 1.111 310 I CA 1.700 63.074 61.300 0.124 0.000 1.382 310 I CB -0.494 37.533 38.000 0.045 0.000 1.060 310 I HN 0.271 nan 8.210 nan 0.000 0.418 311 S N 0.142 115.961 115.700 0.198 0.000 2.419 311 S HA -0.206 4.264 4.470 -0.001 0.000 0.233 311 S C 1.683 176.454 174.600 0.285 0.000 1.016 311 S CA 1.091 59.453 58.200 0.271 0.000 0.974 311 S CB -0.282 63.001 63.200 0.138 0.000 0.786 311 S HN 0.546 nan 8.310 nan 0.000 0.492 312 Q N 0.193 120.113 119.800 0.199 0.000 2.415 312 Q HA 0.239 4.579 4.340 -0.001 0.000 0.206 312 Q C 1.191 177.276 176.000 0.141 0.000 0.946 312 Q CA 0.228 56.120 55.803 0.148 0.000 0.951 312 Q CB -0.120 28.690 28.738 0.119 0.000 1.026 312 Q HN 0.513 nan 8.270 nan 0.000 0.510 313 L N -0.186 121.151 121.223 0.191 0.000 2.554 313 L HA 0.120 4.460 4.340 -0.001 0.000 0.225 313 L C 0.527 177.344 176.870 -0.089 0.000 1.104 313 L CA -0.292 54.637 54.840 0.149 0.000 0.866 313 L CB 0.009 42.222 42.059 0.256 0.000 1.047 313 L HN 0.125 nan 8.230 nan 0.000 0.468 314 D N 1.200 121.420 120.400 -0.299 0.000 2.583 314 D HA 0.026 4.665 4.640 -0.001 0.000 0.232 314 D C 0.102 176.050 176.300 -0.587 0.000 1.128 314 D CA 1.010 54.542 54.000 -0.780 0.000 0.859 314 D CB 0.619 41.096 40.800 -0.539 0.000 1.169 314 D HN -0.018 nan 8.370 nan 0.000 0.481 315 T N 1.864 115.891 114.554 -0.878 0.000 2.840 315 T HA 0.314 4.663 4.350 -0.001 0.000 0.317 315 T C 0.277 174.613 174.700 -0.608 0.000 1.401 315 T CA -0.816 60.864 62.100 -0.700 0.000 1.028 315 T CB 1.062 69.456 68.868 -0.789 0.000 1.317 315 T HN 0.218 nan 8.240 nan 0.000 0.495 316 K N 2.327 122.530 120.400 -0.330 0.000 2.439 316 K HA 0.338 4.657 4.320 -0.001 0.000 0.197 316 K C 1.755 178.261 176.600 -0.157 0.000 1.041 316 K CA 0.712 56.892 56.287 -0.178 0.000 0.970 316 K CB -0.279 32.163 32.500 -0.097 0.000 0.773 316 K HN 0.577 nan 8.250 nan 0.000 0.479 317 I N 0.062 120.474 120.570 -0.265 0.000 2.454 317 I HA -0.200 3.969 4.170 -0.001 0.000 0.254 317 I C 0.997 177.101 176.117 -0.022 0.000 1.156 317 I CA 0.822 62.035 61.300 -0.146 0.000 1.433 317 I CB -0.240 37.659 38.000 -0.169 0.000 1.082 317 I HN 0.034 nan 8.210 nan 0.000 0.432 318 F N 0.986 120.879 119.950 -0.095 0.000 2.502 318 F HA -0.089 4.437 4.527 -0.001 0.000 0.298 318 F C 2.182 177.967 175.800 -0.025 0.000 1.111 318 F CA 0.527 58.471 58.000 -0.093 0.000 1.445 318 F CB -1.209 37.668 39.000 -0.206 0.000 1.081 318 F HN 0.174 nan 8.300 nan 0.000 0.558 319 N N 0.253 119.040 118.700 0.145 0.000 2.381 319 N HA -0.105 4.634 4.740 -0.001 0.000 0.182 319 N C 0.594 176.165 175.510 0.102 0.000 1.025 319 N CA 0.598 53.716 53.050 0.113 0.000 0.888 319 N CB -0.128 38.402 38.487 0.071 0.000 0.965 319 N HN 0.274 nan 8.380 nan 0.000 0.438 320 E N 1.042 121.302 120.200 0.100 0.000 2.383 320 E HA 0.004 4.353 4.350 -0.001 0.000 0.264 320 E C -0.551 176.094 176.600 0.074 0.000 1.050 320 E CA -0.041 56.411 56.400 0.088 0.000 0.896 320 E CB 0.694 30.448 29.700 0.090 0.000 0.982 320 E HN 0.008 nan 8.360 nan 0.000 0.424 321 D N 2.771 123.201 120.400 0.050 0.000 2.563 321 D HA 0.110 4.749 4.640 -0.001 0.000 0.222 321 D C 1.113 177.331 176.300 -0.137 0.000 1.145 321 D CA -0.056 53.952 54.000 0.012 0.000 1.001 321 D CB -0.285 40.559 40.800 0.074 0.000 1.049 321 D HN 0.316 nan 8.370 nan 0.000 0.515 322 L N 1.524 122.695 121.223 -0.087 0.000 2.021 322 L HA -0.196 4.143 4.340 -0.001 0.000 0.215 322 L C 1.864 178.616 176.870 -0.196 0.000 1.074 322 L CA 1.059 55.839 54.840 -0.101 0.000 0.760 322 L CB -0.546 41.440 42.059 -0.122 0.000 0.889 322 L HN 0.365 nan 8.230 nan 0.000 0.433 323 V N -5.671 114.163 119.914 -0.133 0.000 3.177 323 V HA 0.231 4.350 4.120 -0.001 0.000 0.342 323 V C 0.316 176.557 176.094 0.245 0.000 1.379 323 V CA -0.693 61.645 62.300 0.063 0.000 1.191 323 V CB -1.038 30.832 31.823 0.079 0.000 1.167 323 V HN 0.358 nan 8.190 nan 0.000 0.471 324 F N -0.052 120.066 119.950 0.281 0.000 3.074 324 F HA -0.305 4.221 4.527 -0.001 0.000 0.287 324 F C 1.831 177.736 175.800 0.176 0.000 0.932 324 F CA 0.408 58.534 58.000 0.209 0.000 0.995 324 F CB -1.778 37.336 39.000 0.191 0.000 0.966 324 F HN 0.390 nan 8.300 nan 0.000 0.721 325 A N 0.226 123.219 122.820 0.289 0.000 1.908 325 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 325 A C 2.145 179.796 177.584 0.112 0.000 1.181 325 A CA 2.131 54.299 52.037 0.218 0.000 0.627 325 A CB -0.327 18.819 19.000 0.242 0.000 0.818 325 A HN 0.581 nan 8.150 nan 0.000 0.445 326 N N 0.088 118.870 118.700 0.137 0.000 2.494 326 N HA -0.046 4.694 4.740 -0.001 0.000 0.182 326 N C 0.149 175.719 175.510 0.099 0.000 1.076 326 N CA 1.018 54.129 53.050 0.102 0.000 0.908 326 N CB -0.009 38.542 38.487 0.106 0.000 0.967 326 N HN 0.529 nan 8.380 nan 0.000 0.449 327 D N -0.076 120.409 120.400 0.141 0.000 2.433 327 D HA 0.157 4.797 4.640 -0.001 0.000 0.211 327 D C 0.254 176.583 176.300 0.049 0.000 1.114 327 D CA 0.039 54.101 54.000 0.104 0.000 0.837 327 D CB 1.435 42.322 40.800 0.145 0.000 0.984 327 D HN 0.134 nan 8.370 nan 0.000 0.505 328 L N 1.914 123.157 121.223 0.034 0.000 2.295 328 L HA 0.221 4.560 4.340 -0.001 0.000 0.285 328 L C 0.807 177.636 176.870 -0.068 0.000 1.035 328 L CA -0.633 54.190 54.840 -0.029 0.000 0.806 328 L CB 1.779 43.809 42.059 -0.048 0.000 1.214 328 L HN -0.112 nan 8.230 nan 0.000 0.426 329 S N 2.546 118.220 115.700 -0.043 0.000 2.576 329 S HA 0.159 4.629 4.470 -0.001 0.000 0.272 329 S C 1.255 175.825 174.600 -0.050 0.000 1.352 329 S CA -0.657 57.524 58.200 -0.033 0.000 1.021 329 S CB 0.750 63.945 63.200 -0.009 0.000 0.887 329 S HN 0.573 nan 8.310 nan 0.000 0.542 330 L N 1.025 122.227 121.223 -0.036 0.000 2.189 330 L HA -0.138 4.201 4.340 -0.001 0.000 0.214 330 L C 2.783 179.655 176.870 0.002 0.000 1.097 330 L CA 1.535 56.355 54.840 -0.032 0.000 0.764 330 L CB -1.421 40.633 42.059 -0.009 0.000 0.900 330 L HN 0.803 nan 8.230 nan 0.000 0.436 331 T N 0.117 114.685 114.554 0.023 0.000 2.777 331 T HA -0.098 4.251 4.350 -0.001 0.000 0.266 331 T C 1.987 176.750 174.700 0.106 0.000 1.040 331 T CA 1.069 63.204 62.100 0.058 0.000 1.141 331 T CB -0.145 68.755 68.868 0.053 0.000 0.868 331 T HN 0.211 nan 8.240 nan 0.000 0.444 332 L N 0.442 121.722 121.223 0.095 0.000 2.093 332 L HA -0.052 4.287 4.340 -0.001 0.000 0.208 332 L C 2.671 179.682 176.870 0.234 0.000 1.085 332 L CA 1.284 56.230 54.840 0.177 0.000 0.755 332 L CB -0.478 41.607 42.059 0.044 0.000 0.904 332 L HN 0.226 nan 8.230 nan 0.000 0.435 333 K N -0.004 120.409 120.400 0.021 0.000 2.063 333 K HA -0.196 4.123 4.320 -0.001 0.000 0.208 333 K C 1.667 178.402 176.600 0.224 0.000 1.048 333 K CA 1.614 57.818 56.287 -0.138 0.000 0.928 333 K CB -0.154 32.046 32.500 -0.500 0.000 0.713 333 K HN 0.327 nan 8.250 nan 0.000 0.442 334 D N 0.509 121.017 120.400 0.180 0.000 2.183 334 D HA -0.096 4.543 4.640 -0.001 0.000 0.203 334 D C 1.718 178.175 176.300 0.261 0.000 0.969 334 D CA 0.921 55.046 54.000 0.208 0.000 0.842 334 D CB 0.123 41.001 40.800 0.129 0.000 0.957 334 D HN 0.300 nan 8.370 nan 0.000 0.484 335 E N 0.057 120.433 120.200 0.294 0.000 2.072 335 E HA -0.108 4.241 4.350 -0.001 0.000 0.191 335 E C 1.959 178.809 176.600 0.416 0.000 0.985 335 E CA 0.272 56.833 56.400 0.269 0.000 0.801 335 E CB -0.136 29.730 29.700 0.277 0.000 0.750 335 E HN 0.285 nan 8.360 nan 0.000 0.452 336 F N 1.827 122.110 119.950 0.554 0.000 2.069 336 F HA -0.252 4.275 4.527 -0.001 0.000 0.298 336 F C 2.514 178.631 175.800 0.528 0.000 1.113 336 F CA 1.000 59.427 58.000 0.713 0.000 1.214 336 F CB 0.174 39.611 39.000 0.728 0.000 0.978 336 F HN -0.089 nan 8.300 nan 0.000 0.474 337 R N -0.215 120.694 120.500 0.682 0.000 2.083 337 R HA -0.199 4.140 4.340 -0.001 0.000 0.237 337 R C 2.413 178.942 176.300 0.381 0.000 1.137 337 R CA 1.481 57.845 56.100 0.440 0.000 0.951 337 R CB -1.373 29.111 30.300 0.306 0.000 0.851 337 R HN 0.280 nan 8.270 nan 0.000 0.434 338 S N 0.570 116.446 115.700 0.293 0.000 2.400 338 S HA -0.110 4.359 4.470 -0.001 0.000 0.232 338 S C 1.959 176.643 174.600 0.141 0.000 1.025 338 S CA 0.950 59.257 58.200 0.177 0.000 0.993 338 S CB 0.016 63.283 63.200 0.111 0.000 0.808 338 S HN 0.196 nan 8.310 nan 0.000 0.478 339 R N -0.237 120.353 120.500 0.150 0.000 2.075 339 R HA 0.040 4.380 4.340 -0.001 0.000 0.232 339 R C 1.911 178.285 176.300 0.123 0.000 1.126 339 R CA 1.123 57.220 56.100 -0.005 0.000 0.963 339 R CB -1.212 28.911 30.300 -0.295 0.000 0.858 339 R HN 0.508 nan 8.270 nan 0.000 0.435 340 F N 2.257 122.400 119.950 0.320 0.000 2.234 340 F HA -0.184 4.343 4.527 -0.001 0.000 0.299 340 F C 2.444 178.350 175.800 0.177 0.000 1.087 340 F CA 1.670 59.855 58.000 0.309 0.000 1.340 340 F CB -0.071 39.119 39.000 0.316 0.000 1.031 340 F HN 0.080 nan 8.300 nan 0.000 0.500 341 K N -0.324 120.240 120.400 0.273 0.000 2.097 341 K HA -0.161 4.159 4.320 -0.001 0.000 0.206 341 K C 1.618 178.277 176.600 0.099 0.000 1.049 341 K CA 1.757 58.145 56.287 0.168 0.000 0.933 341 K CB -0.519 32.056 32.500 0.124 0.000 0.717 341 K HN 0.128 nan 8.250 nan 0.000 0.442 342 N N 1.133 119.875 118.700 0.069 0.000 2.188 342 N HA -0.102 4.638 4.740 -0.001 0.000 0.184 342 N C 1.932 177.451 175.510 0.014 0.000 1.018 342 N CA 1.330 54.396 53.050 0.027 0.000 0.858 342 N CB -0.284 38.203 38.487 0.000 0.000 0.989 342 N HN 0.070 nan 8.380 nan 0.000 0.426 343 V N 1.228 121.140 119.914 -0.005 0.000 2.343 343 V HA -0.188 3.931 4.120 -0.001 0.000 0.247 343 V C 2.223 178.323 176.094 0.010 0.000 1.051 343 V CA 1.718 63.993 62.300 -0.042 0.000 1.036 343 V CB -0.997 30.707 31.823 -0.198 0.000 0.654 343 V HN 0.317 nan 8.190 nan 0.000 0.451 344 T N -0.463 114.129 114.554 0.064 0.000 2.759 344 T HA -0.213 4.136 4.350 -0.001 0.000 0.269 344 T C 1.930 176.661 174.700 0.052 0.000 1.042 344 T CA 1.501 63.652 62.100 0.085 0.000 1.140 344 T CB -0.187 68.756 68.868 0.126 0.000 0.864 344 T HN 0.489 nan 8.240 nan 0.000 0.455 345 K N 0.204 120.624 120.400 0.034 0.000 2.031 345 K HA 0.147 4.466 4.320 -0.001 0.000 0.205 345 K C 1.395 177.990 176.600 -0.008 0.000 1.049 345 K CA 0.401 56.694 56.287 0.011 0.000 0.939 345 K CB -0.130 32.374 32.500 0.006 0.000 0.717 345 K HN 0.344 nan 8.250 nan 0.000 0.438 349 c N 1.208 119.766 118.600 -0.070 0.000 2.697 349 c HA 0.294 4.863 4.570 -0.001 0.000 0.267 349 c C 0.911 175.131 174.090 0.217 0.000 1.278 349 c CA -0.220 56.091 56.329 -0.029 0.000 1.708 349 c CB -0.238 42.088 42.510 -0.307 0.000 1.860 349 c HN 0.024 nan 8.230 nan 0.000 0.589 350 V N 2.856 122.804 119.914 0.056 0.000 2.427 350 V HA 0.048 4.168 4.120 -0.001 0.000 0.268 350 V C 1.036 177.069 176.094 -0.101 0.000 1.046 350 V CA 0.417 62.699 62.300 -0.031 0.000 0.970 350 V CB 0.899 32.620 31.823 -0.171 0.000 1.001 350 V HN 0.424 nan 8.190 nan 0.000 0.476 351 Q N 2.111 121.853 119.800 -0.097 0.000 2.083 351 Q HA -0.072 4.268 4.340 -0.001 0.000 0.198 351 Q C 1.410 177.247 176.000 -0.271 0.000 0.969 351 Q CA 0.788 56.529 55.803 -0.104 0.000 0.838 351 Q CB -0.256 28.480 28.738 -0.004 0.000 0.900 351 Q HN 0.831 nan 8.270 nan 0.000 0.436 352 C N 3.385 122.351 119.300 -0.556 0.000 2.648 352 C HA -0.001 4.458 4.460 -0.001 0.000 0.406 352 C C 1.435 176.183 174.990 -0.404 0.000 1.406 352 C CA -0.763 57.952 59.018 -0.505 0.000 1.610 352 C CB -0.355 26.956 27.740 -0.715 0.000 2.451 352 C HN 0.355 nan 8.230 nan 0.000 0.608 353 D N 3.629 123.777 120.400 -0.420 0.000 2.097 353 D HA -0.117 4.523 4.640 -0.001 0.000 0.195 353 D C 2.200 178.234 176.300 -0.442 0.000 0.989 353 D CA 1.595 55.234 54.000 -0.601 0.000 0.827 353 D CB -0.168 39.887 40.800 -1.241 0.000 0.966 353 D HN 0.731 nan 8.370 nan 0.000 0.456 354 R N 0.081 120.398 120.500 -0.305 0.000 2.096 354 R HA -0.069 4.271 4.340 -0.001 0.000 0.235 354 R C 2.585 179.027 176.300 0.237 0.000 1.127 354 R CA 1.086 57.287 56.100 0.168 0.000 0.968 354 R CB -0.377 30.042 30.300 0.198 0.000 0.861 354 R HN 0.226 nan 8.270 nan 0.000 0.440 355 C N -0.144 119.180 119.300 0.041 0.000 2.429 355 C HA -0.061 4.398 4.460 -0.001 0.000 0.277 355 C C 2.601 177.635 174.990 0.074 0.000 1.262 355 C CA 0.508 59.558 59.018 0.054 0.000 1.733 355 C CB -0.860 26.784 27.740 -0.159 0.000 2.010 355 C HN 0.495 nan 8.230 nan 0.000 0.483 356 R N 0.801 121.291 120.500 -0.016 0.000 2.075 356 R HA -0.124 4.216 4.340 -0.001 0.000 0.232 356 R C 2.166 178.529 176.300 0.105 0.000 1.126 356 R CA 1.448 57.562 56.100 0.024 0.000 0.963 356 R CB -0.484 29.805 30.300 -0.018 0.000 0.858 356 R HN 0.461 nan 8.270 nan 0.000 0.435 357 L N 0.148 121.464 121.223 0.154 0.000 1.989 357 L HA -0.141 4.198 4.340 -0.001 0.000 0.211 357 L C 1.694 178.464 176.870 -0.166 0.000 1.071 357 L CA 1.942 56.818 54.840 0.059 0.000 0.749 357 L CB -0.768 41.348 42.059 0.095 0.000 0.890 357 L HN 0.271 nan 8.230 nan 0.000 0.431 358 W N -0.159 121.174 121.300 0.055 0.000 2.425 358 W HA 0.037 4.696 4.660 -0.001 0.000 0.277 358 W C 2.440 178.996 176.519 0.062 0.000 1.231 358 W CA 1.100 58.445 57.345 -0.000 0.000 1.248 358 W CB -0.776 28.695 29.460 0.019 0.000 1.117 358 W HN 0.330 nan 8.180 nan 0.000 0.568 359 G N 0.273 109.257 108.800 0.306 0.000 2.404 359 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.215 359 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.215 359 G C 1.651 176.635 174.900 0.140 0.000 1.174 359 G CA 0.752 46.058 45.100 0.343 0.000 0.780 359 G HN 0.019 nan 8.290 nan 0.000 0.537 360 K N 0.236 120.684 120.400 0.081 0.000 2.097 360 K HA 0.028 4.348 4.320 -0.001 0.000 0.206 360 K C 2.453 179.015 176.600 -0.063 0.000 1.049 360 K CA 0.660 56.992 56.287 0.075 0.000 0.933 360 K CB -0.351 32.260 32.500 0.185 0.000 0.717 360 K HN 0.392 nan 8.250 nan 0.000 0.442 361 I N 1.168 121.549 120.570 -0.316 0.000 2.142 361 I HA -0.321 3.848 4.170 -0.001 0.000 0.240 361 I C 2.496 178.417 176.117 -0.327 0.000 1.078 361 I CA 1.430 62.343 61.300 -0.646 0.000 1.343 361 I CB -0.245 37.245 38.000 -0.850 0.000 1.046 361 I HN 0.218 nan 8.210 nan 0.000 0.405 362 Q N 0.069 119.775 119.800 -0.157 0.000 2.083 362 Q HA -0.167 4.172 4.340 -0.001 0.000 0.198 362 Q C 2.288 178.158 176.000 -0.217 0.000 0.969 362 Q CA 2.220 57.902 55.803 -0.203 0.000 0.838 362 Q CB -0.301 28.433 28.738 -0.006 0.000 0.900 362 Q HN 0.636 nan 8.270 nan 0.000 0.436 363 T N -1.729 112.726 114.554 -0.165 0.000 2.788 363 T HA -0.134 4.216 4.350 -0.001 0.000 0.268 363 T C 1.977 176.750 174.700 0.121 0.000 1.044 363 T CA 1.683 63.824 62.100 0.069 0.000 1.139 363 T CB -0.670 68.241 68.868 0.072 0.000 0.867 363 T HN 0.104 nan 8.240 nan 0.000 0.454 364 T N 1.369 115.930 114.554 0.011 0.000 2.821 364 T HA 0.094 4.444 4.350 -0.001 0.000 0.267 364 T C 2.282 176.914 174.700 -0.113 0.000 1.046 364 T CA 1.179 63.280 62.100 0.001 0.000 1.139 364 T CB -1.038 67.833 68.868 0.005 0.000 0.871 364 T HN 0.627 nan 8.240 nan 0.000 0.454 365 G N 0.132 108.793 108.800 -0.232 0.000 2.459 365 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.217 365 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.217 365 G C 1.229 175.883 174.900 -0.410 0.000 1.183 365 G CA 0.619 45.509 45.100 -0.351 0.000 0.776 365 G HN 0.527 nan 8.290 nan 0.000 0.552 366 Y N 1.140 121.282 120.300 -0.264 0.000 2.224 366 Y HA 0.033 4.582 4.550 -0.001 0.000 0.289 366 Y C 3.182 178.728 175.900 -0.590 0.000 1.146 366 Y CA 0.707 58.533 58.100 -0.457 0.000 1.182 366 Y CB -0.137 37.962 38.460 -0.600 0.000 0.983 366 Y HN 0.276 nan 8.280 nan 0.000 0.524 367 A N -0.373 122.279 122.820 -0.281 0.000 1.933 367 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 367 A C 2.234 179.703 177.584 -0.192 0.000 1.175 367 A CA 2.197 54.119 52.037 -0.192 0.000 0.628 367 A CB -1.139 17.894 19.000 0.056 0.000 0.814 367 A HN 0.392 nan 8.150 nan 0.000 0.444 368 T N 0.222 114.673 114.554 -0.173 0.000 2.777 368 T HA 0.018 4.367 4.350 -0.001 0.000 0.266 368 T C 2.257 176.819 174.700 -0.229 0.000 1.040 368 T CA 1.473 63.475 62.100 -0.164 0.000 1.141 368 T CB -0.450 68.335 68.868 -0.138 0.000 0.868 368 T HN 0.592 nan 8.240 nan 0.000 0.444 369 A N 1.313 123.965 122.820 -0.279 0.000 1.883 369 A HA -0.040 4.280 4.320 -0.001 0.000 0.217 369 A C 2.297 179.643 177.584 -0.396 0.000 1.186 369 A CA 1.359 53.209 52.037 -0.310 0.000 0.624 369 A CB -0.927 17.892 19.000 -0.301 0.000 0.822 369 A HN 0.471 nan 8.150 nan 0.000 0.444 370 L N -0.766 120.151 121.223 -0.511 0.000 2.046 370 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 370 L C 2.625 179.070 176.870 -0.708 0.000 1.077 370 L CA 1.921 56.257 54.840 -0.839 0.000 0.747 370 L CB -0.387 41.116 42.059 -0.928 0.000 0.896 370 L HN 0.474 nan 8.230 nan 0.000 0.432 371 K N 0.793 120.972 120.400 -0.368 0.000 2.032 371 K HA -0.195 4.124 4.320 -0.001 0.000 0.209 371 K C 2.089 178.594 176.600 -0.160 0.000 1.048 371 K CA 1.503 57.683 56.287 -0.180 0.000 0.927 371 K CB -0.109 32.324 32.500 -0.112 0.000 0.712 371 K HN 0.188 nan 8.250 nan 0.000 0.441 372 I N 1.147 121.596 120.570 -0.202 0.000 2.113 372 I HA -0.321 3.849 4.170 -0.001 0.000 0.238 372 I C 2.218 178.248 176.117 -0.145 0.000 1.070 372 I CA 1.285 62.485 61.300 -0.167 0.000 1.332 372 I CB -0.258 37.632 38.000 -0.183 0.000 1.044 372 I HN 0.185 nan 8.210 nan 0.000 0.402 373 L N -0.460 120.636 121.223 -0.211 0.000 2.131 373 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 373 L C 2.478 179.379 176.870 0.051 0.000 1.092 373 L CA 1.461 56.217 54.840 -0.139 0.000 0.759 373 L CB -0.584 41.337 42.059 -0.229 0.000 0.903 373 L HN 0.216 nan 8.230 nan 0.000 0.435 374 F N 0.294 120.190 119.950 -0.089 0.000 2.098 374 F HA -0.145 4.381 4.527 -0.001 0.000 0.294 374 F C 2.620 178.395 175.800 -0.041 0.000 1.107 374 F CA 0.608 58.576 58.000 -0.054 0.000 1.234 374 F CB -0.053 38.915 39.000 -0.053 0.000 1.002 374 F HN 0.058 nan 8.300 nan 0.000 0.472 375 E N 0.734 121.024 120.200 0.151 0.000 2.047 375 E HA -0.191 4.158 4.350 -0.001 0.000 0.191 375 E C 2.136 178.740 176.600 0.007 0.000 0.987 375 E CA 1.172 57.605 56.400 0.055 0.000 0.799 375 E CB -0.168 29.537 29.700 0.008 0.000 0.752 375 E HN 0.454 nan 8.360 nan 0.000 0.449 376 I N 1.708 122.263 120.570 -0.025 0.000 2.567 376 I HA -0.230 3.939 4.170 -0.001 0.000 0.257 376 I C 2.223 178.328 176.117 -0.019 0.000 1.184 376 I CA 0.451 61.715 61.300 -0.060 0.000 1.451 376 I CB -0.307 37.640 38.000 -0.088 0.000 1.089 376 I HN 0.133 nan 8.210 nan 0.000 0.441 377 N N 1.539 120.254 118.700 0.025 0.000 1.997 377 N HA -0.201 4.539 4.740 -0.001 0.000 0.198 377 N C 0.536 176.065 175.510 0.032 0.000 1.063 377 N CA 1.592 54.668 53.050 0.045 0.000 0.860 377 N CB -0.046 38.489 38.487 0.081 0.000 1.063 377 N HN 0.118 nan 8.380 nan 0.000 0.424 378 D N 0.483 120.901 120.400 0.030 0.000 2.767 378 D HA 0.396 5.035 4.640 -0.001 0.000 0.241 378 D C -1.032 175.277 176.300 0.014 0.000 1.187 378 D CA 0.089 54.103 54.000 0.024 0.000 0.999 378 D CB 0.270 41.084 40.800 0.024 0.000 1.042 378 D HN 0.362 nan 8.370 nan 0.000 0.510 379 A N 1.596 124.417 122.820 0.001 0.000 2.486 379 A HA 0.478 4.798 4.320 -0.001 0.000 0.300 379 A C -0.503 177.072 177.584 -0.014 0.000 1.048 379 A CA -0.984 51.047 52.037 -0.011 0.000 0.696 379 A CB 1.622 20.597 19.000 -0.041 0.000 1.278 379 A HN 0.199 nan 8.150 nan 0.000 0.405 380 D N 0.729 121.134 120.400 0.009 0.000 2.414 380 D HA 0.283 4.922 4.640 -0.001 0.000 0.251 380 D C 0.692 176.993 176.300 0.001 0.000 1.252 380 D CA -0.347 53.669 54.000 0.027 0.000 0.999 380 D CB 0.558 41.397 40.800 0.065 0.000 1.093 380 D HN 0.355 nan 8.370 nan 0.000 0.515 381 E N -0.521 119.703 120.200 0.042 0.000 2.077 381 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 381 E C 1.667 178.299 176.600 0.053 0.000 0.989 381 E CA 0.717 57.140 56.400 0.038 0.000 0.800 381 E CB -0.506 29.277 29.700 0.138 0.000 0.746 381 E HN 0.565 nan 8.360 nan 0.000 0.452 382 F N 2.020 121.955 119.950 -0.025 0.000 2.161 382 F HA -0.188 4.340 4.527 0.002 0.000 0.300 382 F C 2.262 178.051 175.800 -0.018 0.000 1.089 382 F CA 1.644 59.638 58.000 -0.009 0.000 1.282 382 F CB -0.388 38.608 39.000 -0.008 0.000 1.010 382 F HN -0.067 nan 8.300 nan 0.000 0.485 383 T N 0.091 114.639 114.554 -0.011 0.000 2.904 383 T HA -0.128 4.222 4.350 -0.001 0.000 0.267 383 T C 1.923 176.523 174.700 -0.166 0.000 1.059 383 T CA 1.247 63.301 62.100 -0.078 0.000 1.137 383 T CB -0.136 68.731 68.868 -0.003 0.000 0.879 383 T HN 0.236 nan 8.240 nan 0.000 0.467 384 K N 1.113 121.335 120.400 -0.297 0.000 2.057 384 K HA -0.154 4.166 4.320 -0.001 0.000 0.206 384 K C 2.593 178.893 176.600 -0.499 0.000 1.050 384 K CA 1.397 57.347 56.287 -0.562 0.000 0.935 384 K CB -0.127 31.686 32.500 -1.144 0.000 0.715 384 K HN 0.419 nan 8.250 nan 0.000 0.439 385 Q N 0.199 119.802 119.800 -0.329 0.000 2.119 385 Q HA -0.218 4.121 4.340 -0.001 0.000 0.201 385 Q C 1.947 177.863 176.000 -0.140 0.000 0.972 385 Q CA 1.986 57.736 55.803 -0.089 0.000 0.847 385 Q CB -0.673 28.076 28.738 0.019 0.000 0.903 385 Q HN 0.433 nan 8.270 nan 0.000 0.433 386 H N 0.579 119.460 119.070 -0.316 0.000 2.321 386 H HA -0.022 4.533 4.556 -0.001 0.000 0.300 386 H C 1.708 176.895 175.328 -0.234 0.000 1.087 386 H CA 2.114 57.977 56.048 -0.308 0.000 1.319 386 H CB -0.267 29.261 29.762 -0.390 0.000 1.379 386 H HN 0.300 nan 8.280 nan 0.000 0.501 387 I N -0.384 119.915 120.570 -0.452 0.000 2.127 387 I HA -0.275 3.894 4.170 -0.001 0.000 0.241 387 I C 2.337 178.251 176.117 -0.338 0.000 1.075 387 I CA 1.429 62.471 61.300 -0.430 0.000 1.334 387 I CB -0.275 37.575 38.000 -0.250 0.000 1.040 387 I HN 0.192 nan 8.210 nan 0.000 0.405 388 V N 0.814 120.591 119.914 -0.228 0.000 2.358 388 V HA -0.157 3.963 4.120 -0.001 0.000 0.246 388 V C 2.531 178.549 176.094 -0.127 0.000 1.047 388 V CA 2.008 64.231 62.300 -0.130 0.000 1.035 388 V CB -1.309 30.508 31.823 -0.010 0.000 0.658 388 V HN 0.576 nan 8.190 nan 0.000 0.452 389 G N -0.688 108.031 108.800 -0.136 0.000 2.470 389 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.220 389 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.220 389 G C 1.572 176.364 174.900 -0.180 0.000 1.121 389 G CA 0.745 45.791 45.100 -0.090 0.000 0.766 389 G HN 0.493 nan 8.290 nan 0.000 0.553 390 K N -0.356 119.808 120.400 -0.394 0.000 2.426 390 K HA 0.240 4.560 4.320 -0.001 0.000 0.193 390 K C 0.548 176.818 176.600 -0.549 0.000 1.028 390 K CA -0.387 55.484 56.287 -0.693 0.000 1.047 390 K CB -0.107 31.877 32.500 -0.860 0.000 0.821 390 K HN 0.214 nan 8.250 nan 0.000 0.513 391 L N 2.362 123.428 121.223 -0.261 0.000 2.485 391 L HA 0.009 4.348 4.340 -0.001 0.000 0.275 391 L C 0.758 177.651 176.870 0.038 0.000 1.207 391 L CA -0.165 54.609 54.840 -0.111 0.000 0.855 391 L CB 0.704 42.711 42.059 -0.086 0.000 1.114 391 L HN 0.207 nan 8.230 nan 0.000 0.485 392 T N -1.278 113.375 114.554 0.165 0.000 2.874 392 T HA 0.158 4.507 4.350 -0.001 0.000 0.281 392 T C 0.875 175.657 174.700 0.137 0.000 0.994 392 T CA -0.836 61.424 62.100 0.266 0.000 1.015 392 T CB 1.485 70.607 68.868 0.423 0.000 1.028 392 T HN 0.668 nan 8.240 nan 0.000 0.523 393 K N 0.035 120.469 120.400 0.057 0.000 2.103 393 K HA -0.203 4.116 4.320 -0.001 0.000 0.207 393 K C 1.855 178.472 176.600 0.029 0.000 1.048 393 K CA 1.219 57.476 56.287 -0.050 0.000 0.930 393 K CB -0.463 31.919 32.500 -0.198 0.000 0.716 393 K HN 0.719 nan 8.250 nan 0.000 0.444 394 Y N 1.991 122.282 120.300 -0.015 0.000 2.081 394 Y HA -0.274 4.275 4.550 -0.001 0.000 0.280 394 Y C 1.832 177.831 175.900 0.165 0.000 1.163 394 Y CA 2.301 60.440 58.100 0.064 0.000 1.135 394 Y CB -0.245 38.339 38.460 0.205 0.000 0.970 394 Y HN 0.206 nan 8.280 nan 0.000 0.498 395 E N -0.511 119.806 120.200 0.197 0.000 2.110 395 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 395 E C 2.055 178.662 176.600 0.010 0.000 0.988 395 E CA 1.207 57.641 56.400 0.057 0.000 0.804 395 E CB -0.351 29.406 29.700 0.096 0.000 0.745 395 E HN 0.416 nan 8.360 nan 0.000 0.458 396 L N 0.860 122.112 121.223 0.049 0.000 2.093 396 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 396 L C 1.950 178.945 176.870 0.208 0.000 1.085 396 L CA 1.424 56.317 54.840 0.090 0.000 0.755 396 L CB -0.159 41.947 42.059 0.078 0.000 0.904 396 L HN 0.137 nan 8.230 nan 0.000 0.435 397 I N -0.734 119.968 120.570 0.219 0.000 2.179 397 I HA -0.300 3.869 4.170 -0.001 0.000 0.242 397 I C 2.575 178.741 176.117 0.082 0.000 1.088 397 I CA 1.152 62.637 61.300 0.308 0.000 1.357 397 I CB -0.618 37.524 38.000 0.237 0.000 1.051 397 I HN 0.335 nan 8.210 nan 0.000 0.409 398 A N 0.740 123.538 122.820 -0.036 0.000 1.883 398 A HA -0.247 4.073 4.320 -0.001 0.000 0.217 398 A C 2.266 179.740 177.584 -0.185 0.000 1.186 398 A CA 1.760 53.669 52.037 -0.213 0.000 0.624 398 A CB -0.903 17.954 19.000 -0.239 0.000 0.822 398 A HN 0.385 nan 8.150 nan 0.000 0.444 399 L N -1.051 120.092 121.223 -0.134 0.000 1.994 399 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 399 L C 2.307 179.105 176.870 -0.119 0.000 1.071 399 L CA 2.079 56.822 54.840 -0.162 0.000 0.745 399 L CB -0.540 41.435 42.059 -0.140 0.000 0.892 399 L HN 0.342 nan 8.230 nan 0.000 0.431 400 L N -0.867 120.311 121.223 -0.074 0.000 2.056 400 L HA -0.172 4.167 4.340 -0.001 0.000 0.207 400 L C 2.528 179.369 176.870 -0.049 0.000 1.078 400 L CA 1.597 56.382 54.840 -0.093 0.000 0.749 400 L CB -0.721 41.152 42.059 -0.310 0.000 0.901 400 L HN 0.359 nan 8.230 nan 0.000 0.433 401 Q N -1.016 118.756 119.800 -0.047 0.000 2.124 401 Q HA -0.155 4.185 4.340 -0.001 0.000 0.202 401 Q C 2.141 178.157 176.000 0.027 0.000 0.977 401 Q CA 1.999 57.809 55.803 0.011 0.000 0.850 401 Q CB -0.568 28.161 28.738 -0.016 0.000 0.901 401 Q HN 0.511 nan 8.270 nan 0.000 0.429 402 T N 0.964 115.480 114.554 -0.063 0.000 2.777 402 T HA -0.107 4.242 4.350 -0.001 0.000 0.266 402 T C 1.404 176.088 174.700 -0.027 0.000 1.040 402 T CA 0.807 62.841 62.100 -0.111 0.000 1.141 402 T CB -0.326 68.327 68.868 -0.358 0.000 0.868 402 T HN 0.186 nan 8.240 nan 0.000 0.444 403 F N 2.097 121.940 119.950 -0.180 0.000 2.216 403 F HA 0.084 4.611 4.527 -0.000 0.000 0.300 403 F C 2.301 178.064 175.800 -0.062 0.000 1.085 403 F CA 0.801 58.703 58.000 -0.163 0.000 1.326 403 F CB -0.877 37.995 39.000 -0.213 0.000 1.027 403 F HN 0.162 nan 8.300 nan 0.000 0.497 404 G N 0.202 108.955 108.800 -0.079 0.000 2.408 404 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.217 404 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.217 404 G C 1.865 176.722 174.900 -0.072 0.000 1.150 404 G CA 0.306 45.337 45.100 -0.115 0.000 0.776 404 G HN 0.135 nan 8.290 nan 0.000 0.542 405 R N 0.184 120.672 120.500 -0.021 0.000 2.075 405 R HA 0.108 4.447 4.340 -0.001 0.000 0.232 405 R C 2.624 179.012 176.300 0.147 0.000 1.126 405 R CA 0.576 56.689 56.100 0.021 0.000 0.963 405 R CB -1.042 29.223 30.300 -0.058 0.000 0.858 405 R HN 0.409 nan 8.270 nan 0.000 0.435 406 L N 0.161 121.427 121.223 0.071 0.000 2.156 406 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 406 L C 2.558 179.430 176.870 0.003 0.000 1.095 406 L CA 1.129 56.033 54.840 0.106 0.000 0.770 406 L CB -0.431 41.745 42.059 0.195 0.000 0.914 406 L HN 0.162 nan 8.230 nan 0.000 0.439 407 S N -0.265 115.359 115.700 -0.126 0.000 2.368 407 S HA -0.229 4.240 4.470 -0.001 0.000 0.224 407 S C 1.967 176.466 174.600 -0.167 0.000 1.029 407 S CA 1.407 59.499 58.200 -0.179 0.000 0.988 407 S CB -0.083 62.930 63.200 -0.312 0.000 0.838 407 S HN 0.425 nan 8.310 nan 0.000 0.462 408 E N 0.010 120.143 120.200 -0.112 0.000 2.150 408 E HA -0.063 4.287 4.350 -0.001 0.000 0.193 408 E C 2.037 178.513 176.600 -0.207 0.000 0.985 408 E CA 0.945 57.264 56.400 -0.135 0.000 0.814 408 E CB -0.104 29.556 29.700 -0.068 0.000 0.752 408 E HN 0.500 nan 8.360 nan 0.000 0.466 409 S N 0.457 116.072 115.700 -0.141 0.000 2.368 409 S HA -0.093 4.377 4.470 -0.001 0.000 0.224 409 S C 1.917 176.430 174.600 -0.145 0.000 1.029 409 S CA 0.696 58.815 58.200 -0.135 0.000 0.988 409 S CB -0.081 63.143 63.200 0.040 0.000 0.838 409 S HN 0.269 nan 8.310 nan 0.000 0.462 410 I N 1.178 121.605 120.570 -0.239 0.000 2.226 410 I HA -0.164 4.005 4.170 -0.001 0.000 0.245 410 I C 2.652 178.640 176.117 -0.215 0.000 1.100 410 I CA 1.230 62.329 61.300 -0.336 0.000 1.374 410 I CB -0.295 37.328 38.000 -0.628 0.000 1.057 410 I HN 0.236 nan 8.210 nan 0.000 0.413 411 E N 1.070 121.144 120.200 -0.210 0.000 2.077 411 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 411 E C 2.184 178.671 176.600 -0.188 0.000 0.989 411 E CA 1.701 57.996 56.400 -0.176 0.000 0.800 411 E CB -0.086 29.513 29.700 -0.168 0.000 0.746 411 E HN 0.270 nan 8.360 nan 0.000 0.452 412 S N -0.790 114.786 115.700 -0.207 0.000 2.402 412 S HA -0.099 4.370 4.470 -0.001 0.000 0.229 412 S C 1.969 176.447 174.600 -0.203 0.000 1.021 412 S CA 0.988 59.037 58.200 -0.251 0.000 0.974 412 S CB -0.168 62.914 63.200 -0.197 0.000 0.800 412 S HN 0.153 nan 8.310 nan 0.000 0.484 413 V N 2.207 122.062 119.914 -0.097 0.000 2.307 413 V HA -0.142 3.977 4.120 -0.001 0.000 0.245 413 V C 1.080 177.142 176.094 -0.055 0.000 1.045 413 V CA 1.091 63.369 62.300 -0.038 0.000 1.024 413 V CB -0.911 30.985 31.823 0.121 0.000 0.651 413 V HN 0.483 nan 8.190 nan 0.000 0.449 417 E N 1.407 121.651 120.200 0.075 0.000 2.204 417 E HA -0.095 4.255 4.350 -0.001 0.000 0.194 417 E C 0.568 177.265 176.600 0.161 0.000 0.989 417 E CA 0.868 57.358 56.400 0.151 0.000 0.824 417 E CB 0.145 29.915 29.700 0.116 0.000 0.756 417 E HN 0.276 nan 8.360 nan 0.000 0.477 421 G N 1.753 110.564 108.800 0.019 0.000 2.442 421 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.219 421 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.219 421 G C 1.374 176.204 174.900 -0.116 0.000 1.141 421 G CA 1.289 46.328 45.100 -0.102 0.000 0.763 421 G HN 0.420 nan 8.290 nan 0.000 0.554 422 K N -0.351 120.014 120.400 -0.059 0.000 2.155 422 K HA 0.071 4.391 4.320 -0.001 0.000 0.203 422 K C 2.555 179.112 176.600 -0.071 0.000 1.052 422 K CA 0.482 56.736 56.287 -0.054 0.000 0.948 422 K CB -0.051 32.432 32.500 -0.029 0.000 0.728 422 K HN 0.118 nan 8.250 nan 0.000 0.448 423 R N 0.757 121.207 120.500 -0.083 0.000 2.148 423 R HA 0.041 4.380 4.340 -0.001 0.000 0.223 423 R C 2.037 178.260 176.300 -0.128 0.000 1.088 423 R CA 0.629 56.681 56.100 -0.081 0.000 0.985 423 R CB 0.064 30.336 30.300 -0.046 0.000 0.880 423 R HN 0.140 nan 8.270 nan 0.000 0.451 424 L N 0.039 121.132 121.223 -0.216 0.000 2.131 424 L HA -0.084 4.256 4.340 -0.001 0.000 0.206 424 L C 1.959 178.746 176.870 -0.139 0.000 1.087 424 L CA 0.794 55.499 54.840 -0.225 0.000 0.767 424 L CB -0.141 41.695 42.059 -0.371 0.000 0.917 424 L HN 0.232 nan 8.230 nan 0.000 0.441 425 L N -0.288 120.863 121.223 -0.119 0.000 2.362 425 L HA -0.174 4.165 4.340 -0.001 0.000 0.219 425 L C 2.359 179.193 176.870 -0.061 0.000 1.134 425 L CA 0.798 55.591 54.840 -0.078 0.000 0.807 425 L CB -0.245 41.776 42.059 -0.063 0.000 0.927 425 L HN 0.337 nan 8.230 nan 0.000 0.447 426 E N -0.177 119.985 120.200 -0.065 0.000 2.170 426 E HA -0.002 4.347 4.350 -0.001 0.000 0.191 426 E C 0.827 177.400 176.600 -0.045 0.000 0.981 426 E CA 0.317 56.688 56.400 -0.048 0.000 0.830 426 E CB 0.528 30.201 29.700 -0.045 0.000 0.775 426 E HN 0.362 nan 8.360 nan 0.000 0.470 427 R N 0.000 120.467 120.500 -0.055 0.000 2.786 427 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 427 R CA 0.000 56.072 56.100 -0.047 0.000 0.921 427 R CB 0.000 30.274 30.300 -0.044 0.000 0.687 427 R HN 0.000 nan 8.270 nan 0.000 0.535