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 1gz5_1_B DATA FIRST_RESID 1 DATA SEQUENCE SRLVVVSNRI APPDEHAASA GGLAVGILGA LKAAGGLWFG WSGETGNEDQ DATA SEQUENCE PLKKVKKGNI TWASFNLSEQ DLDEYYNQFS NAVLWPAFHY RLDLVQFQRP DATA SEQUENCE AWDGYLRVNA LLADKLLPLL QDDDIIWIHD YHLLPFAHEL RKRGVNNRIG DATA SEQUENCE FFLHIPFPTP EIFNALPTYD TLLEQLCDYD LLGFQTENDR LAFLDCLSNL DATA SEQUENCE TRVTTRSXKS HTAWGKAFRT EVYPIGIEPK EIAKQAAGPL PPKLAQLKAE DATA SEQUENCE LKNVQNIFSV ERLDYSKGLP ERFLAYEALL EKYPQHHGKI RYTQIAPTSR DATA SEQUENCE GDVQAYQDIR HQLENEAGRI NGKYGQLGWT PLYYLNQHFD RKLLXKIFRY DATA SEQUENCE SDVGLVTPLR DGXNLVAKEY VAAQDPANPG VLVLSQFAGA ANELTSALIV DATA SEQUENCE NPYDRDEVAA ALDRALTXSL AERISRHAEX LDVIVKNDIN HWQECFISDL DATA SEQUENCE KQIVPR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.612 174.600 0.020 0.000 1.055 1 S CA 0.000 58.207 58.200 0.012 0.000 1.107 1 S CB 0.000 63.208 63.200 0.013 0.000 0.593 2 R N 1.840 122.356 120.500 0.026 0.000 2.522 2 R HA 0.230 4.593 4.340 0.038 0.000 0.284 2 R C -0.815 175.513 176.300 0.048 0.000 1.032 2 R CA 0.006 56.126 56.100 0.033 0.000 1.049 2 R CB 0.176 30.496 30.300 0.033 0.000 0.956 2 R HN 0.373 nan 8.270 nan 0.000 0.422 3 L N 5.717 126.972 121.223 0.053 0.000 2.276 3 L HA 0.282 4.645 4.340 0.038 0.000 0.286 3 L C -1.145 175.778 176.870 0.090 0.000 1.061 3 L CA -0.121 54.770 54.840 0.084 0.000 0.807 3 L CB 1.678 43.791 42.059 0.090 0.000 1.177 3 L HN 0.330 nan 8.230 nan 0.000 0.429 4 V N 6.388 126.380 119.914 0.131 0.000 2.357 4 V HA 0.445 4.588 4.120 0.038 0.000 0.284 4 V C -0.208 176.004 176.094 0.197 0.000 1.018 4 V CA -0.641 61.747 62.300 0.146 0.000 0.841 4 V CB 1.546 33.454 31.823 0.142 0.000 0.991 4 V HN 0.554 nan 8.190 nan 0.000 0.437 5 V N 5.824 125.820 119.914 0.135 0.000 2.483 5 V HA 0.622 4.765 4.120 0.038 0.000 0.295 5 V C -0.176 176.069 176.094 0.251 0.000 1.035 5 V CA -0.549 61.797 62.300 0.078 0.000 0.896 5 V CB 1.989 33.599 31.823 -0.355 0.000 0.986 5 V HN 0.681 nan 8.190 nan 0.000 0.447 6 V N 4.317 124.417 119.914 0.309 0.000 2.638 6 V HA 0.985 5.128 4.120 0.038 0.000 0.306 6 V C -0.420 175.866 176.094 0.320 0.000 1.052 6 V CA 0.137 62.674 62.300 0.395 0.000 0.885 6 V CB 2.045 34.116 31.823 0.413 0.000 0.999 6 V HN 1.094 nan 8.190 nan 0.000 0.424 7 S N 3.976 119.877 115.700 0.335 0.000 2.607 7 S HA 0.437 4.930 4.470 0.038 0.000 0.273 7 S C 0.453 175.132 174.600 0.131 0.000 1.148 7 S CA -0.286 58.053 58.200 0.232 0.000 0.833 7 S CB 1.641 64.981 63.200 0.234 0.000 1.130 7 S HN 0.863 nan 8.310 nan 0.000 0.470 8 N N 0.463 119.169 118.700 0.009 0.000 2.062 8 N HA -0.074 4.689 4.740 0.038 0.000 0.191 8 N C 0.473 175.944 175.510 -0.065 0.000 1.042 8 N CA 0.907 53.923 53.050 -0.057 0.000 0.845 8 N CB -0.081 38.129 38.487 -0.462 0.000 1.024 8 N HN 0.553 nan 8.380 nan 0.000 0.424 9 R N 1.221 121.655 120.500 -0.111 0.000 2.390 9 R HA 0.325 4.688 4.340 0.038 0.000 0.291 9 R C -0.165 176.038 176.300 -0.161 0.000 1.070 9 R CA -0.225 55.802 56.100 -0.122 0.000 1.014 9 R CB 0.304 30.565 30.300 -0.065 0.000 1.007 9 R HN 0.330 nan 8.270 nan 0.000 0.466 10 I N -0.072 120.263 120.570 -0.392 0.000 2.957 10 I HA 0.771 4.964 4.170 0.038 0.000 0.310 10 I C -0.781 175.024 176.117 -0.520 0.000 1.063 10 I CA -1.457 59.391 61.300 -0.754 0.000 1.033 10 I CB 2.495 39.816 38.000 -1.132 0.000 1.230 10 I HN 0.642 nan 8.210 nan 0.000 0.447 11 A N 4.848 127.362 122.820 -0.509 0.000 2.276 11 A HA 0.680 5.022 4.320 0.038 0.000 0.300 11 A C -2.445 174.980 177.584 -0.264 0.000 1.235 11 A CA -1.625 50.328 52.037 -0.140 0.000 0.867 11 A CB -0.323 18.812 19.000 0.226 0.000 1.137 11 A HN 0.615 nan 8.150 nan 0.000 0.527 12 P HA 0.168 nan 4.420 nan 0.000 0.272 12 P C -2.195 174.719 177.300 -0.644 0.000 1.223 12 P CA -1.195 61.555 63.100 -0.584 0.000 0.784 12 P CB 0.404 31.830 31.700 -0.457 0.000 0.923 13 P HA -0.115 nan 4.420 nan 0.000 0.218 13 P C 0.519 177.559 177.300 -0.433 0.000 1.149 13 P CA 1.369 63.928 63.100 -0.900 0.000 0.817 13 P CB -0.050 31.005 31.700 -1.075 0.000 0.785 14 D N 0.566 120.733 120.400 -0.387 0.000 2.344 14 D HA -0.063 4.599 4.640 0.038 0.000 0.253 14 D C 0.715 176.873 176.300 -0.236 0.000 1.255 14 D CA 0.153 53.989 54.000 -0.273 0.000 0.894 14 D CB 0.484 41.111 40.800 -0.288 0.000 1.067 14 D HN 0.130 nan 8.370 nan 0.000 0.492 15 E N 2.263 122.380 120.200 -0.138 0.000 2.158 15 E HA -0.166 4.206 4.350 0.038 0.000 0.191 15 E C 1.516 178.116 176.600 0.000 0.000 0.982 15 E CA 0.338 56.699 56.400 -0.064 0.000 0.823 15 E CB 0.047 29.745 29.700 -0.003 0.000 0.766 15 E HN 0.696 nan 8.360 nan 0.000 0.468 16 H N -1.199 117.830 119.070 -0.069 0.000 2.543 16 H HA 0.248 4.827 4.556 0.038 0.000 0.269 16 H C 0.869 176.144 175.328 -0.089 0.000 1.005 16 H CA 0.513 56.531 56.048 -0.050 0.000 1.146 16 H CB 0.306 30.048 29.762 -0.034 0.000 1.353 16 H HN 0.012 nan 8.280 nan 0.000 0.595 17 A N 0.809 123.491 122.820 -0.230 0.000 2.302 17 A HA 0.470 4.813 4.320 0.038 0.000 0.219 17 A C 1.229 178.684 177.584 -0.215 0.000 1.243 17 A CA 0.227 52.108 52.037 -0.260 0.000 0.856 17 A CB -0.474 18.341 19.000 -0.309 0.000 0.893 17 A HN 0.544 nan 8.150 nan 0.000 0.491 18 A N -0.223 122.521 122.820 -0.127 0.000 2.445 18 A HA 0.509 4.852 4.320 0.038 0.000 0.242 18 A C 0.565 178.037 177.584 -0.185 0.000 1.075 18 A CA 0.211 52.183 52.037 -0.107 0.000 0.777 18 A CB 0.187 19.192 19.000 0.008 0.000 1.013 18 A HN 0.334 nan 8.150 nan 0.000 0.493 19 S N 0.025 115.628 115.700 -0.162 0.000 2.549 19 S HA 0.622 5.114 4.470 0.038 0.000 0.297 19 S C 0.371 174.967 174.600 -0.006 0.000 1.115 19 S CA -0.051 58.036 58.200 -0.188 0.000 1.059 19 S CB 0.993 64.089 63.200 -0.173 0.000 1.046 19 S HN 1.535 nan 8.310 nan 0.000 0.506 20 A N 2.085 124.962 122.820 0.095 0.000 2.520 20 A HA 0.571 4.914 4.320 0.038 0.000 0.235 20 A C 0.751 178.394 177.584 0.097 0.000 1.065 20 A CA 0.525 52.668 52.037 0.177 0.000 0.764 20 A CB -0.701 18.427 19.000 0.213 0.000 1.002 20 A HN 1.616 nan 8.150 nan 0.000 0.502 21 G N 0.032 108.900 108.800 0.114 0.000 2.249 21 G HA2 0.476 4.459 3.960 0.038 0.000 0.252 21 G HA3 0.476 4.459 3.960 0.038 0.000 0.252 21 G C 0.369 175.339 174.900 0.117 0.000 1.697 21 G CA 0.017 45.182 45.100 0.109 0.000 0.916 21 G HN 1.468 nan 8.290 nan 0.000 0.725 22 G N 0.397 109.284 108.800 0.144 0.000 2.430 22 G HA2 0.178 4.161 3.960 0.038 0.000 0.216 22 G HA3 0.178 4.161 3.960 0.038 0.000 0.216 22 G C 1.849 176.806 174.900 0.095 0.000 1.146 22 G CA 1.280 46.459 45.100 0.132 0.000 0.793 22 G HN 1.204 nan 8.290 nan 0.000 0.537 23 L N 0.928 122.201 121.223 0.084 0.000 1.990 23 L HA -0.051 4.311 4.340 0.038 0.000 0.213 23 L C 3.081 179.927 176.870 -0.041 0.000 1.072 23 L CA 2.258 57.056 54.840 -0.070 0.000 0.755 23 L CB -0.301 41.610 42.059 -0.247 0.000 0.889 23 L HN 0.228 nan 8.230 nan 0.000 0.432 24 A N -0.913 121.943 122.820 0.060 0.000 1.933 24 A HA -0.141 4.201 4.320 0.038 0.000 0.218 24 A C 2.214 179.897 177.584 0.165 0.000 1.175 24 A CA 1.858 54.017 52.037 0.203 0.000 0.628 24 A CB -1.037 18.056 19.000 0.154 0.000 0.814 24 A HN 0.373 nan 8.150 nan 0.000 0.444 25 V N -0.100 119.866 119.914 0.087 0.000 2.295 25 V HA -0.187 3.956 4.120 0.038 0.000 0.246 25 V C 2.825 178.910 176.094 -0.015 0.000 1.049 25 V CA 1.996 64.333 62.300 0.061 0.000 1.024 25 V CB -1.479 30.381 31.823 0.063 0.000 0.648 25 V HN 0.608 nan 8.190 nan 0.000 0.447 26 G N 0.061 108.805 108.800 -0.093 0.000 2.480 26 G HA2 -0.251 3.732 3.960 0.038 0.000 0.216 26 G HA3 -0.251 3.732 3.960 0.038 0.000 0.216 26 G C 1.566 176.315 174.900 -0.251 0.000 1.200 26 G CA 1.283 46.229 45.100 -0.256 0.000 0.782 26 G HN 0.476 nan 8.290 nan 0.000 0.554 27 I N 0.176 120.557 120.570 -0.314 0.000 2.208 27 I HA -0.152 4.041 4.170 0.038 0.000 0.245 27 I C 2.626 178.423 176.117 -0.534 0.000 1.097 27 I CA 0.636 61.590 61.300 -0.578 0.000 1.363 27 I CB -0.290 37.088 38.000 -1.037 0.000 1.051 27 I HN 0.163 nan 8.210 nan 0.000 0.413 28 L N 1.352 122.407 121.223 -0.281 0.000 1.989 28 L HA -0.126 4.237 4.340 0.038 0.000 0.211 28 L C 2.427 179.280 176.870 -0.028 0.000 1.071 28 L CA 2.348 57.171 54.840 -0.027 0.000 0.749 28 L CB -1.357 40.849 42.059 0.245 0.000 0.890 28 L HN 0.222 nan 8.230 nan 0.000 0.431 29 G N -0.964 107.825 108.800 -0.017 0.000 2.529 29 G HA2 -0.377 3.606 3.960 0.038 0.000 0.219 29 G HA3 -0.377 3.606 3.960 0.038 0.000 0.219 29 G C 1.603 176.514 174.900 0.019 0.000 1.177 29 G CA 1.388 46.493 45.100 0.008 0.000 0.773 29 G HN 0.699 nan 8.290 nan 0.000 0.573 30 A N 0.377 123.204 122.820 0.012 0.000 1.858 30 A HA 0.067 4.410 4.320 0.038 0.000 0.216 30 A C 2.508 180.086 177.584 -0.011 0.000 1.190 30 A CA 1.551 53.636 52.037 0.079 0.000 0.617 30 A CB -0.547 18.542 19.000 0.149 0.000 0.827 30 A HN 0.362 nan 8.150 nan 0.000 0.443 31 L N -0.819 120.320 121.223 -0.140 0.000 2.083 31 L HA -0.199 4.163 4.340 0.038 0.000 0.209 31 L C 2.615 179.446 176.870 -0.065 0.000 1.083 31 L CA 1.675 56.421 54.840 -0.156 0.000 0.752 31 L CB -0.306 41.571 42.059 -0.304 0.000 0.899 31 L HN 0.369 nan 8.230 nan 0.000 0.433 32 K N -0.526 119.859 120.400 -0.024 0.000 2.147 32 K HA -0.176 4.167 4.320 0.038 0.000 0.205 32 K C 2.095 178.713 176.600 0.030 0.000 1.049 32 K CA 1.309 57.610 56.287 0.023 0.000 0.936 32 K CB -0.113 32.419 32.500 0.053 0.000 0.722 32 K HN 0.339 nan 8.250 nan 0.000 0.446 33 A N 0.761 123.602 122.820 0.035 0.000 1.898 33 A HA 0.028 4.371 4.320 0.038 0.000 0.214 33 A C 2.185 179.793 177.584 0.039 0.000 1.183 33 A CA 1.464 53.530 52.037 0.048 0.000 0.622 33 A CB -0.359 18.685 19.000 0.074 0.000 0.824 33 A HN 0.324 nan 8.150 nan 0.000 0.444 34 A N -1.137 121.701 122.820 0.030 0.000 1.844 34 A HA 0.472 4.814 4.320 0.038 0.000 0.212 34 A C 1.506 179.097 177.584 0.011 0.000 1.221 34 A CA 1.546 53.598 52.037 0.026 0.000 0.607 34 A CB -0.983 18.040 19.000 0.037 0.000 0.878 34 A HN 2.160 nan 8.150 nan 0.000 0.451 35 G N -3.569 105.225 108.800 -0.010 0.000 2.587 35 G HA2 0.536 4.518 3.960 0.038 0.000 0.686 35 G HA3 0.536 4.518 3.960 0.038 0.000 0.686 35 G C 0.142 175.022 174.900 -0.032 0.000 1.236 35 G CA -0.143 44.946 45.100 -0.019 0.000 0.820 35 G HN 2.362 nan 8.290 nan 0.000 0.645 36 G N -0.786 107.986 108.800 -0.047 0.000 2.362 36 G HA2 0.531 4.514 3.960 0.038 0.000 0.288 36 G HA3 0.531 4.514 3.960 0.038 0.000 0.288 36 G C -1.539 173.324 174.900 -0.061 0.000 1.305 36 G CA -0.147 44.929 45.100 -0.040 0.000 0.910 36 G HN 1.758 nan 8.290 nan 0.000 0.518 37 L N 0.097 121.312 121.223 -0.013 0.000 2.333 37 L HA 0.689 5.051 4.340 0.038 0.000 0.280 37 L C -1.314 175.616 176.870 0.099 0.000 1.004 37 L CA -0.797 54.065 54.840 0.036 0.000 0.820 37 L CB 1.501 43.614 42.059 0.091 0.000 1.247 37 L HN 0.719 nan 8.230 nan 0.000 0.416 38 W N 6.838 128.036 121.300 -0.169 0.000 2.318 38 W HA 0.330 5.012 4.660 0.036 0.000 0.315 38 W C -1.561 174.989 176.519 0.051 0.000 1.033 38 W CA -1.530 55.725 57.345 -0.149 0.000 1.275 38 W CB 1.207 30.399 29.460 -0.447 0.000 1.250 38 W HN 0.346 nan 8.180 nan 0.000 0.421 39 F N 5.674 125.843 119.950 0.366 0.000 2.444 39 F HA 0.783 5.333 4.527 0.038 0.000 0.342 39 F C 0.219 176.154 175.800 0.224 0.000 1.121 39 F CA 0.059 58.205 58.000 0.243 0.000 0.997 39 F CB 1.190 40.343 39.000 0.256 0.000 1.130 39 F HN 0.439 nan 8.300 nan 0.000 0.454 40 G N 3.846 112.339 108.800 -0.512 0.000 2.430 40 G HA2 0.180 4.163 3.960 0.038 0.000 0.300 40 G HA3 0.180 4.163 3.960 0.038 0.000 0.300 40 G C -2.459 171.756 174.900 -1.142 0.000 1.330 40 G CA -0.989 43.810 45.100 -0.502 0.000 0.813 40 G HN 0.743 nan 8.290 nan 0.000 0.487 41 W N 1.538 122.093 121.300 -1.242 0.000 2.216 41 W HA 0.450 5.132 4.660 0.037 0.000 0.326 41 W C 1.651 177.636 176.519 -0.889 0.000 1.319 41 W CA 0.067 56.538 57.345 -1.456 0.000 1.213 41 W CB 1.389 30.427 29.460 -0.705 0.000 1.171 41 W HN 0.741 nan 8.180 nan 0.000 0.557 42 S N 3.344 118.441 115.700 -1.004 0.000 2.474 42 S HA 0.064 4.557 4.470 0.038 0.000 0.235 42 S C 1.633 175.520 174.600 -1.189 0.000 0.997 42 S CA 0.943 58.614 58.200 -0.881 0.000 0.949 42 S CB -0.492 62.361 63.200 -0.579 0.000 0.766 42 S HN 1.726 nan 8.310 nan 0.000 0.517 43 G N 0.396 107.818 108.800 -2.296 0.000 2.175 43 G HA2 -0.191 3.791 3.960 0.038 0.000 0.244 43 G HA3 -0.191 3.791 3.960 0.038 0.000 0.244 43 G C -0.184 173.887 174.900 -1.382 0.000 0.982 43 G CA 0.245 43.907 45.100 -2.396 0.000 0.641 43 G HN 0.588 nan 8.290 nan 0.000 0.527 44 E N 0.679 120.409 120.200 -0.783 0.000 2.222 44 E HA 0.619 4.992 4.350 0.038 0.000 0.267 44 E C 0.209 176.928 176.600 0.198 0.000 0.963 44 E CA 0.134 56.421 56.400 -0.188 0.000 0.837 44 E CB 1.833 31.418 29.700 -0.192 0.000 1.183 44 E HN 0.481 nan 8.360 nan 0.000 0.403 45 T N -2.500 112.151 114.554 0.161 0.000 2.932 45 T HA 0.733 5.106 4.350 0.038 0.000 0.289 45 T C 0.441 175.194 174.700 0.088 0.000 1.039 45 T CA -0.063 62.144 62.100 0.178 0.000 1.024 45 T CB 1.776 70.739 68.868 0.158 0.000 1.090 45 T HN 0.781 nan 8.240 nan 0.000 0.496 46 G N 1.546 110.392 108.800 0.076 0.000 2.756 46 G HA2 -0.056 3.926 3.960 0.038 0.000 0.678 46 G HA3 -0.056 3.926 3.960 0.038 0.000 0.678 46 G C -0.108 174.817 174.900 0.042 0.000 1.349 46 G CA -0.217 44.909 45.100 0.044 0.000 0.847 46 G HN 1.602 nan 8.290 nan 0.000 0.548 47 N N -0.645 118.071 118.700 0.027 0.000 2.710 47 N HA -0.210 4.553 4.740 0.038 0.000 0.249 47 N C 1.110 176.643 175.510 0.040 0.000 1.059 47 N CA 1.513 54.578 53.050 0.024 0.000 0.720 47 N CB -0.356 38.138 38.487 0.011 0.000 0.983 47 N HN 0.841 nan 8.380 nan 0.000 0.544 48 E N -0.427 119.801 120.200 0.046 0.000 2.338 48 E HA -0.109 4.263 4.350 0.038 0.000 0.197 48 E C 0.603 177.232 176.600 0.048 0.000 1.007 48 E CA 0.958 57.394 56.400 0.061 0.000 0.849 48 E CB 0.103 29.829 29.700 0.043 0.000 0.774 48 E HN 0.456 nan 8.360 nan 0.000 0.506 49 D N 0.458 120.876 120.400 0.031 0.000 2.340 49 D HA 0.018 4.681 4.640 0.038 0.000 0.217 49 D C 0.131 176.448 176.300 0.028 0.000 1.081 49 D CA 0.158 54.172 54.000 0.024 0.000 0.842 49 D CB 0.122 40.929 40.800 0.012 0.000 0.934 49 D HN 0.147 nan 8.370 nan 0.000 0.511 50 Q N 0.983 120.804 119.800 0.035 0.000 2.368 50 Q HA 0.285 4.647 4.340 0.038 0.000 0.237 50 Q C -2.098 173.930 176.000 0.046 0.000 0.987 50 Q CA -1.496 54.326 55.803 0.031 0.000 0.896 50 Q CB 0.225 28.976 28.738 0.022 0.000 1.241 50 Q HN 0.013 nan 8.270 nan 0.000 0.485 51 P HA -0.019 nan 4.420 nan 0.000 0.268 51 P C -0.490 176.854 177.300 0.074 0.000 1.208 51 P CA -0.451 62.683 63.100 0.056 0.000 0.777 51 P CB 0.343 32.068 31.700 0.042 0.000 0.875 52 L N 2.235 123.524 121.223 0.110 0.000 2.593 52 L HA -0.068 4.295 4.340 0.038 0.000 0.287 52 L C 0.916 177.831 176.870 0.075 0.000 1.243 52 L CA 0.960 55.879 54.840 0.131 0.000 0.890 52 L CB -0.918 41.259 42.059 0.197 0.000 1.134 52 L HN 0.349 nan 8.230 nan 0.000 0.502 53 K N 3.797 124.217 120.400 0.035 0.000 2.201 53 K HA 0.344 4.686 4.320 0.038 0.000 0.278 53 K C -0.429 176.187 176.600 0.028 0.000 1.027 53 K CA -0.373 55.915 56.287 0.002 0.000 0.909 53 K CB 0.825 33.289 32.500 -0.060 0.000 1.062 53 K HN 0.399 nan 8.250 nan 0.000 0.465 54 K N 2.353 122.778 120.400 0.043 0.000 2.376 54 K HA 0.455 4.798 4.320 0.038 0.000 0.257 54 K C -1.304 175.341 176.600 0.075 0.000 0.939 54 K CA -0.830 55.509 56.287 0.086 0.000 0.809 54 K CB 1.968 34.525 32.500 0.096 0.000 1.121 54 K HN 0.209 nan 8.250 nan 0.000 0.425 55 V N 2.148 122.141 119.914 0.132 0.000 2.760 55 V HA 0.411 4.553 4.120 0.038 0.000 0.309 55 V C -0.731 175.526 176.094 0.272 0.000 1.077 55 V CA -1.049 61.321 62.300 0.117 0.000 0.910 55 V CB 1.940 33.752 31.823 -0.017 0.000 1.008 55 V HN 0.658 nan 8.190 nan 0.000 0.424 56 K N 3.096 123.618 120.400 0.204 0.000 2.274 56 K HA 0.593 4.935 4.320 0.038 0.000 0.262 56 K C -0.914 175.826 176.600 0.235 0.000 0.961 56 K CA -0.698 55.731 56.287 0.237 0.000 0.833 56 K CB 1.398 33.982 32.500 0.139 0.000 1.102 56 K HN 0.711 nan 8.250 nan 0.000 0.436 57 K N 3.509 124.121 120.400 0.353 0.000 2.656 57 K HA 0.246 4.589 4.320 0.038 0.000 0.241 57 K C -0.024 176.713 176.600 0.227 0.000 0.967 57 K CA 0.109 56.565 56.287 0.282 0.000 0.946 57 K CB 1.131 33.837 32.500 0.343 0.000 1.164 57 K HN 0.942 nan 8.250 nan 0.000 0.459 58 G N 3.617 112.499 108.800 0.137 0.000 2.565 58 G HA2 -0.412 3.571 3.960 0.038 0.000 0.295 58 G HA3 -0.412 3.571 3.960 0.038 0.000 0.295 58 G C 0.349 175.295 174.900 0.078 0.000 1.165 58 G CA 0.608 45.767 45.100 0.097 0.000 0.977 58 G HN 0.734 nan 8.290 nan 0.000 0.546 59 N N 1.463 120.198 118.700 0.059 0.000 2.280 59 N HA 0.195 4.957 4.740 0.038 0.000 0.192 59 N C 0.695 176.197 175.510 -0.014 0.000 1.109 59 N CA 0.540 53.606 53.050 0.027 0.000 0.855 59 N CB 0.029 38.530 38.487 0.022 0.000 0.974 59 N HN 0.718 nan 8.380 nan 0.000 0.482 60 I N 0.679 121.230 120.570 -0.032 0.000 2.404 60 I HA 0.265 4.457 4.170 0.038 0.000 0.293 60 I C -0.514 175.509 176.117 -0.156 0.000 0.992 60 I CA -0.602 60.568 61.300 -0.216 0.000 1.149 60 I CB 1.927 39.636 38.000 -0.485 0.000 1.315 60 I HN -0.188 nan 8.210 nan 0.000 0.446 61 T N 4.969 119.417 114.554 -0.176 0.000 2.792 61 T HA 0.374 4.747 4.350 0.038 0.000 0.280 61 T C -0.724 173.961 174.700 -0.025 0.000 0.990 61 T CA -0.431 61.679 62.100 0.016 0.000 0.960 61 T CB 1.053 69.960 68.868 0.065 0.000 0.939 61 T HN 0.356 nan 8.240 nan 0.000 0.439 62 W N 2.021 123.366 121.300 0.075 0.000 2.469 62 W HA 0.647 5.330 4.660 0.037 0.000 0.320 62 W C -0.141 176.389 176.519 0.019 0.000 1.086 62 W CA -1.072 56.288 57.345 0.024 0.000 1.211 62 W CB 1.482 30.883 29.460 -0.099 0.000 1.298 62 W HN 0.620 nan 8.180 nan 0.000 0.525 63 A N 2.813 125.770 122.820 0.228 0.000 2.375 63 A HA 0.591 4.934 4.320 0.038 0.000 0.291 63 A C -0.425 177.173 177.584 0.023 0.000 1.160 63 A CA -0.441 51.710 52.037 0.191 0.000 0.747 63 A CB 0.931 20.131 19.000 0.333 0.000 1.170 63 A HN 0.435 nan 8.150 nan 0.000 0.458 64 S N 1.339 116.992 115.700 -0.078 0.000 2.568 64 S HA 0.922 5.415 4.470 0.038 0.000 0.302 64 S C -0.485 174.006 174.600 -0.183 0.000 1.082 64 S CA -0.669 57.337 58.200 -0.324 0.000 1.009 64 S CB 1.220 64.183 63.200 -0.395 0.000 1.069 64 S HN 1.273 nan 8.310 nan 0.000 0.500 65 F N -0.276 119.566 119.950 -0.179 0.000 2.561 65 F HA 0.752 5.302 4.527 0.038 0.000 0.321 65 F C -0.439 175.387 175.800 0.044 0.000 1.065 65 F CA -1.267 56.695 58.000 -0.063 0.000 0.934 65 F CB 0.535 39.493 39.000 -0.069 0.000 1.215 65 F HN 0.394 nan 8.300 nan 0.000 0.471 66 N N 1.230 120.082 118.700 0.253 0.000 2.493 66 N HA 0.512 5.275 4.740 0.038 0.000 0.275 66 N C -1.272 174.466 175.510 0.381 0.000 1.186 66 N CA -0.363 52.862 53.050 0.292 0.000 0.978 66 N CB 0.994 39.567 38.487 0.143 0.000 1.184 66 N HN 0.475 nan 8.380 nan 0.000 0.487 67 L N 0.202 121.613 121.223 0.313 0.000 2.342 67 L HA 0.437 4.799 4.340 0.038 0.000 0.271 67 L C 0.453 177.362 176.870 0.066 0.000 1.008 67 L CA -0.676 54.219 54.840 0.090 0.000 0.818 67 L CB 1.352 43.311 42.059 -0.167 0.000 1.296 67 L HN 0.728 nan 8.230 nan 0.000 0.427 68 S N 1.106 116.817 115.700 0.018 0.000 2.589 68 S HA 0.138 4.630 4.470 0.038 0.000 0.265 68 S C 0.986 175.601 174.600 0.026 0.000 1.342 68 S CA -0.301 57.913 58.200 0.023 0.000 1.005 68 S CB 0.748 63.952 63.200 0.007 0.000 0.909 68 S HN 0.581 nan 8.310 nan 0.000 0.555 69 E N 0.755 120.977 120.200 0.036 0.000 2.070 69 E HA -0.217 4.156 4.350 0.038 0.000 0.197 69 E C 2.031 178.656 176.600 0.042 0.000 1.004 69 E CA 1.760 58.186 56.400 0.044 0.000 0.805 69 E CB -0.511 29.213 29.700 0.040 0.000 0.744 69 E HN 0.874 nan 8.360 nan 0.000 0.451 70 Q N -0.030 119.789 119.800 0.032 0.000 2.079 70 Q HA -0.153 4.209 4.340 0.038 0.000 0.200 70 Q C 1.479 177.505 176.000 0.043 0.000 0.974 70 Q CA 1.482 57.306 55.803 0.035 0.000 0.840 70 Q CB 0.114 28.865 28.738 0.022 0.000 0.898 70 Q HN 0.182 nan 8.270 nan 0.000 0.430 71 D N 0.571 120.984 120.400 0.020 0.000 2.117 71 D HA -0.165 4.497 4.640 0.038 0.000 0.198 71 D C 1.879 178.234 176.300 0.091 0.000 0.982 71 D CA 0.515 54.526 54.000 0.019 0.000 0.828 71 D CB -0.300 40.456 40.800 -0.073 0.000 0.967 71 D HN 0.221 nan 8.370 nan 0.000 0.464 72 L N 1.061 122.303 121.223 0.033 0.000 2.013 72 L HA -0.243 4.119 4.340 0.038 0.000 0.212 72 L C 1.986 178.954 176.870 0.164 0.000 1.073 72 L CA 1.921 56.783 54.840 0.037 0.000 0.753 72 L CB -0.472 41.567 42.059 -0.034 0.000 0.890 72 L HN -0.018 nan 8.230 nan 0.000 0.432 73 D N -0.533 119.942 120.400 0.124 0.000 2.097 73 D HA -0.217 4.446 4.640 0.038 0.000 0.195 73 D C 2.078 178.462 176.300 0.140 0.000 0.989 73 D CA 1.622 55.695 54.000 0.122 0.000 0.827 73 D CB 0.197 41.048 40.800 0.086 0.000 0.966 73 D HN 0.416 nan 8.370 nan 0.000 0.456 74 E N -1.555 118.740 120.200 0.158 0.000 2.060 74 E HA -0.110 4.263 4.350 0.038 0.000 0.189 74 E C 1.878 178.653 176.600 0.293 0.000 0.974 74 E CA 0.559 57.067 56.400 0.180 0.000 0.808 74 E CB -0.190 29.590 29.700 0.133 0.000 0.768 74 E HN 0.468 nan 8.360 nan 0.000 0.453 75 Y N -0.498 119.916 120.300 0.189 0.000 2.243 75 Y HA -0.191 4.382 4.550 0.039 0.000 0.293 75 Y C 1.935 178.069 175.900 0.391 0.000 1.124 75 Y CA 1.199 59.488 58.100 0.315 0.000 1.159 75 Y CB -0.077 38.487 38.460 0.174 0.000 1.008 75 Y HN 0.044 nan 8.280 nan 0.000 0.527 76 Y N 0.642 120.912 120.300 -0.050 0.000 2.265 76 Y HA 0.105 4.677 4.550 0.037 0.000 0.290 76 Y C 1.985 177.867 175.900 -0.031 0.000 1.137 76 Y CA 1.739 59.719 58.100 -0.200 0.000 1.147 76 Y CB -0.794 37.534 38.460 -0.220 0.000 1.104 76 Y HN 0.110 nan 8.280 nan 0.000 0.514 77 N N -0.416 118.267 118.700 -0.029 0.000 2.188 77 N HA -0.158 4.605 4.740 0.038 0.000 0.184 77 N C 1.639 177.114 175.510 -0.059 0.000 1.018 77 N CA 1.542 54.519 53.050 -0.121 0.000 0.858 77 N CB 0.001 38.497 38.487 0.016 0.000 0.989 77 N HN 0.510 nan 8.380 nan 0.000 0.426 78 Q N -0.437 119.383 119.800 0.033 0.000 2.123 78 Q HA 0.055 4.418 4.340 0.038 0.000 0.193 78 Q C 1.443 177.471 176.000 0.046 0.000 0.981 78 Q CA 0.563 56.397 55.803 0.053 0.000 0.833 78 Q CB -0.161 28.635 28.738 0.096 0.000 0.914 78 Q HN 0.234 nan 8.270 nan 0.000 0.484 79 F N 1.348 121.300 119.950 0.004 0.000 2.084 79 F HA -0.169 4.381 4.527 0.039 0.000 0.296 79 F C 2.423 178.165 175.800 -0.097 0.000 1.111 79 F CA 1.489 59.462 58.000 -0.045 0.000 1.224 79 F CB -0.049 38.913 39.000 -0.062 0.000 0.991 79 F HN -0.034 nan 8.300 nan 0.000 0.471 80 S N 0.290 116.012 115.700 0.037 0.000 2.355 80 S HA -0.157 4.336 4.470 0.038 0.000 0.222 80 S C 1.604 176.195 174.600 -0.014 0.000 1.031 80 S CA 1.479 59.697 58.200 0.031 0.000 0.993 80 S CB -0.377 62.850 63.200 0.045 0.000 0.859 80 S HN 0.385 nan 8.310 nan 0.000 0.453 81 N N 0.994 119.627 118.700 -0.112 0.000 2.415 81 N HA 0.229 4.992 4.740 0.038 0.000 0.176 81 N C 0.959 176.500 175.510 0.052 0.000 1.042 81 N CA 0.799 53.789 53.050 -0.101 0.000 0.902 81 N CB 0.003 38.280 38.487 -0.349 0.000 0.986 81 N HN 0.401 nan 8.380 nan 0.000 0.447 82 A N -0.755 122.058 122.820 -0.012 0.000 2.508 82 A HA 0.405 4.748 4.320 0.038 0.000 0.250 82 A C 1.300 178.844 177.584 -0.067 0.000 1.208 82 A CA -0.095 51.955 52.037 0.023 0.000 0.960 82 A CB 0.535 19.550 19.000 0.024 0.000 1.099 82 A HN 0.020 nan 8.150 nan 0.000 0.542 83 V N -1.058 118.726 119.914 -0.216 0.000 3.054 83 V HA 0.118 4.261 4.120 0.038 0.000 0.227 83 V C 2.103 177.991 176.094 -0.343 0.000 1.252 83 V CA 0.659 62.742 62.300 -0.362 0.000 1.279 83 V CB -0.610 30.722 31.823 -0.819 0.000 1.118 83 V HN 0.417 nan 8.190 nan 0.000 0.504 84 L N -0.470 120.477 121.223 -0.461 0.000 2.068 84 L HA -0.090 4.273 4.340 0.038 0.000 0.204 84 L C 2.431 179.061 176.870 -0.401 0.000 1.076 84 L CA 1.906 56.449 54.840 -0.494 0.000 0.753 84 L CB -0.483 41.259 42.059 -0.528 0.000 0.910 84 L HN 0.559 nan 8.230 nan 0.000 0.439 85 W N 3.138 124.167 121.300 -0.452 0.000 2.315 85 W HA -0.169 4.511 4.660 0.035 0.000 0.323 85 W C -0.688 175.893 176.519 0.103 0.000 1.233 85 W CA 2.084 59.256 57.345 -0.289 0.000 1.267 85 W CB -1.527 27.777 29.460 -0.260 0.000 1.160 85 W HN 0.099 nan 8.180 nan 0.000 0.474 86 P HA -0.158 nan 4.420 nan 0.000 0.216 86 P C 1.599 178.959 177.300 0.099 0.000 1.153 86 P CA 3.049 66.300 63.100 0.252 0.000 0.848 86 P CB -0.426 31.383 31.700 0.181 0.000 0.787 87 A N -0.285 122.558 122.820 0.039 0.000 1.877 87 A HA -0.138 4.205 4.320 0.038 0.000 0.216 87 A C 2.192 179.808 177.584 0.053 0.000 1.186 87 A CA 1.320 53.370 52.037 0.022 0.000 0.620 87 A CB -1.862 17.157 19.000 0.031 0.000 0.822 87 A HN 0.141 nan 8.150 nan 0.000 0.443 88 F N -1.258 118.532 119.950 -0.267 0.000 2.546 88 F HA -0.120 4.429 4.527 0.037 0.000 0.298 88 F C 1.579 177.108 175.800 -0.452 0.000 1.120 88 F CA 0.701 58.466 58.000 -0.393 0.000 1.456 88 F CB -0.068 38.674 39.000 -0.430 0.000 1.088 88 F HN 0.332 nan 8.300 nan 0.000 0.572 89 H N -1.989 117.037 119.070 -0.073 0.000 2.507 89 H HA 0.156 4.735 4.556 0.038 0.000 0.294 89 H C -0.704 174.760 175.328 0.227 0.000 1.064 89 H CA -0.369 55.679 56.048 0.001 0.000 1.138 89 H CB -0.567 29.042 29.762 -0.254 0.000 1.515 89 H HN 0.115 nan 8.280 nan 0.000 0.547 90 Y N 0.204 120.492 120.300 -0.021 0.000 3.234 90 Y HA -0.270 4.303 4.550 0.038 0.000 0.207 90 Y C 0.124 176.013 175.900 -0.018 0.000 1.316 90 Y CA -0.087 57.991 58.100 -0.037 0.000 1.309 90 Y CB -1.033 37.388 38.460 -0.065 0.000 1.408 90 Y HN 0.317 nan 8.280 nan 0.000 0.544 91 R N 0.469 121.017 120.500 0.080 0.000 2.782 91 R HA 0.219 4.582 4.340 0.038 0.000 0.293 91 R C 0.747 177.024 176.300 -0.038 0.000 1.333 91 R CA -0.489 55.619 56.100 0.015 0.000 1.479 91 R CB 0.410 30.715 30.300 0.008 0.000 1.306 91 R HN 0.245 nan 8.270 nan 0.000 0.654 92 L N 1.628 122.820 121.223 -0.051 0.000 2.129 92 L HA -0.222 4.141 4.340 0.038 0.000 0.212 92 L C 2.033 178.861 176.870 -0.069 0.000 1.087 92 L CA 2.019 56.816 54.840 -0.072 0.000 0.757 92 L CB -0.471 41.537 42.059 -0.086 0.000 0.896 92 L HN 0.427 nan 8.230 nan 0.000 0.434 93 D N -1.753 118.605 120.400 -0.071 0.000 2.351 93 D HA -0.211 4.452 4.640 0.038 0.000 0.216 93 D C 1.796 178.041 176.300 -0.091 0.000 0.968 93 D CA 0.735 54.691 54.000 -0.075 0.000 0.899 93 D CB 0.008 40.764 40.800 -0.075 0.000 0.907 93 D HN 0.235 nan 8.370 nan 0.000 0.514 94 L N 0.843 121.998 121.223 -0.114 0.000 2.590 94 L HA 0.163 4.525 4.340 0.038 0.000 0.227 94 L C 0.888 177.717 176.870 -0.070 0.000 1.099 94 L CA -0.102 54.654 54.840 -0.140 0.000 0.872 94 L CB 0.231 42.118 42.059 -0.285 0.000 1.088 94 L HN -0.000 nan 8.230 nan 0.000 0.479 95 V N 0.270 120.153 119.914 -0.051 0.000 2.673 95 V HA 0.149 4.292 4.120 0.038 0.000 0.303 95 V C 0.257 176.352 176.094 0.001 0.000 1.046 95 V CA -0.123 62.159 62.300 -0.030 0.000 1.126 95 V CB 0.997 32.793 31.823 -0.045 0.000 0.934 95 V HN 0.427 nan 8.190 nan 0.000 0.487 96 Q N 5.035 124.843 119.800 0.014 0.000 2.928 96 Q HA 0.406 4.768 4.340 0.038 0.000 0.353 96 Q C -0.916 175.119 176.000 0.059 0.000 0.870 96 Q CA -0.341 55.482 55.803 0.032 0.000 0.963 96 Q CB 0.449 29.195 28.738 0.013 0.000 1.419 96 Q HN 0.882 nan 8.270 nan 0.000 0.396 97 F N 1.282 121.220 119.950 -0.019 0.000 2.506 97 F HA 0.359 4.908 4.527 0.037 0.000 0.371 97 F C -0.129 175.717 175.800 0.078 0.000 1.078 97 F CA 0.541 58.560 58.000 0.033 0.000 1.195 97 F CB 0.444 39.447 39.000 0.005 0.000 1.099 97 F HN 0.241 nan 8.300 nan 0.000 0.548 98 Q N 5.029 124.435 119.800 -0.656 0.000 2.379 98 Q HA 0.316 4.678 4.340 0.038 0.000 0.278 98 Q C 0.629 176.271 176.000 -0.596 0.000 1.068 98 Q CA -1.076 54.461 55.803 -0.444 0.000 0.816 98 Q CB 2.199 30.857 28.738 -0.133 0.000 1.387 98 Q HN 0.598 nan 8.270 nan 0.000 0.413 99 R N 0.956 121.299 120.500 -0.261 0.000 2.081 99 R HA -0.093 4.270 4.340 0.038 0.000 0.235 99 R C -1.072 175.237 176.300 0.015 0.000 1.131 99 R CA 1.639 57.708 56.100 -0.051 0.000 0.960 99 R CB -1.068 29.305 30.300 0.122 0.000 0.856 99 R HN 0.482 nan 8.270 nan 0.000 0.436 100 P HA -0.070 nan 4.420 nan 0.000 0.218 100 P C 0.954 178.273 177.300 0.032 0.000 1.148 100 P CA 1.585 64.697 63.100 0.020 0.000 0.822 100 P CB -0.102 31.608 31.700 0.017 0.000 0.784 101 A N -0.854 121.986 122.820 0.032 0.000 1.930 101 A HA -0.181 4.161 4.320 0.038 0.000 0.217 101 A C 2.211 179.884 177.584 0.148 0.000 1.175 101 A CA 1.127 53.241 52.037 0.128 0.000 0.627 101 A CB -1.926 17.177 19.000 0.172 0.000 0.815 101 A HN 0.320 nan 8.150 nan 0.000 0.443 102 W N 1.181 122.388 121.300 -0.155 0.000 2.355 102 W HA -0.187 4.496 4.660 0.037 0.000 0.309 102 W C 0.920 177.354 176.519 -0.142 0.000 1.206 102 W CA 1.790 58.927 57.345 -0.347 0.000 1.284 102 W CB -0.215 29.146 29.460 -0.164 0.000 1.145 102 W HN 0.391 nan 8.180 nan 0.000 0.502 103 D N 0.168 120.473 120.400 -0.158 0.000 2.144 103 D HA -0.128 4.534 4.640 0.038 0.000 0.199 103 D C 2.359 178.546 176.300 -0.189 0.000 0.984 103 D CA 1.986 55.850 54.000 -0.227 0.000 0.834 103 D CB -1.089 39.675 40.800 -0.061 0.000 0.955 103 D HN 0.320 nan 8.370 nan 0.000 0.465 104 G N -0.397 108.362 108.800 -0.068 0.000 2.408 104 G HA2 -0.295 3.688 3.960 0.038 0.000 0.217 104 G HA3 -0.295 3.688 3.960 0.038 0.000 0.217 104 G C 1.593 176.515 174.900 0.038 0.000 1.150 104 G CA 0.443 45.543 45.100 -0.001 0.000 0.776 104 G HN 0.269 nan 8.290 nan 0.000 0.542 105 Y N 1.180 121.418 120.300 -0.104 0.000 2.165 105 Y HA -0.063 4.510 4.550 0.038 0.000 0.286 105 Y C 2.557 178.339 175.900 -0.197 0.000 1.155 105 Y CA 1.382 59.458 58.100 -0.039 0.000 1.164 105 Y CB -0.210 38.086 38.460 -0.272 0.000 0.978 105 Y HN 0.103 nan 8.280 nan 0.000 0.513 106 L N -0.335 120.631 121.223 -0.428 0.000 2.056 106 L HA -0.207 4.156 4.340 0.038 0.000 0.207 106 L C 2.734 179.424 176.870 -0.299 0.000 1.078 106 L CA 1.686 56.245 54.840 -0.468 0.000 0.749 106 L CB -0.592 41.125 42.059 -0.570 0.000 0.901 106 L HN 0.145 nan 8.230 nan 0.000 0.433 107 R N 0.194 120.551 120.500 -0.239 0.000 2.081 107 R HA -0.174 4.189 4.340 0.038 0.000 0.235 107 R C 2.347 178.520 176.300 -0.212 0.000 1.131 107 R CA 1.903 57.893 56.100 -0.184 0.000 0.960 107 R CB -0.263 29.956 30.300 -0.136 0.000 0.856 107 R HN 0.338 nan 8.270 nan 0.000 0.436 108 V N 0.500 120.253 119.914 -0.269 0.000 2.453 108 V HA -0.146 3.997 4.120 0.038 0.000 0.247 108 V C 1.616 177.490 176.094 -0.366 0.000 1.048 108 V CA 1.853 63.905 62.300 -0.413 0.000 1.049 108 V CB -0.543 30.862 31.823 -0.697 0.000 0.672 108 V HN 0.375 nan 8.190 nan 0.000 0.457 109 N N 0.995 119.524 118.700 -0.284 0.000 2.104 109 N HA -0.160 4.603 4.740 0.038 0.000 0.190 109 N C 1.968 177.478 175.510 -0.001 0.000 1.024 109 N CA 1.879 54.902 53.050 -0.046 0.000 0.853 109 N CB -0.266 38.180 38.487 -0.068 0.000 1.008 109 N HN 0.669 nan 8.380 nan 0.000 0.424 110 A N 1.935 124.685 122.820 -0.118 0.000 1.898 110 A HA -0.071 4.272 4.320 0.038 0.000 0.216 110 A C 2.273 179.788 177.584 -0.115 0.000 1.181 110 A CA 0.710 52.670 52.037 -0.128 0.000 0.620 110 A CB -0.723 18.195 19.000 -0.137 0.000 0.819 110 A HN 0.254 nan 8.150 nan 0.000 0.442 111 L N -0.880 120.262 121.223 -0.136 0.000 2.017 111 L HA -0.156 4.206 4.340 0.038 0.000 0.208 111 L C 2.333 179.132 176.870 -0.119 0.000 1.073 111 L CA 1.641 56.395 54.840 -0.142 0.000 0.745 111 L CB -0.459 41.483 42.059 -0.195 0.000 0.894 111 L HN 0.309 nan 8.230 nan 0.000 0.432 112 L N 0.226 121.388 121.223 -0.102 0.000 2.083 112 L HA -0.114 4.249 4.340 0.038 0.000 0.209 112 L C 2.852 179.874 176.870 0.253 0.000 1.083 112 L CA 1.899 56.753 54.840 0.024 0.000 0.752 112 L CB -1.415 40.664 42.059 0.032 0.000 0.899 112 L HN 0.251 nan 8.230 nan 0.000 0.433 113 A N -1.036 121.891 122.820 0.177 0.000 1.969 113 A HA -0.185 4.158 4.320 0.038 0.000 0.218 113 A C 2.008 179.514 177.584 -0.131 0.000 1.169 113 A CA 1.626 53.574 52.037 -0.147 0.000 0.635 113 A CB -0.483 18.216 19.000 -0.501 0.000 0.810 113 A HN 0.384 nan 8.150 nan 0.000 0.445 114 D N -0.268 120.075 120.400 -0.095 0.000 2.144 114 D HA -0.098 4.565 4.640 0.038 0.000 0.200 114 D C 1.868 178.134 176.300 -0.055 0.000 0.978 114 D CA 1.205 55.154 54.000 -0.084 0.000 0.833 114 D CB -0.154 40.601 40.800 -0.074 0.000 0.961 114 D HN 0.467 nan 8.370 nan 0.000 0.470 115 K N 0.154 120.543 120.400 -0.018 0.000 2.167 115 K HA 0.046 4.389 4.320 0.038 0.000 0.203 115 K C 2.108 178.687 176.600 -0.035 0.000 1.052 115 K CA 0.087 56.404 56.287 0.050 0.000 0.956 115 K CB 0.150 32.752 32.500 0.170 0.000 0.735 115 K HN 0.097 nan 8.250 nan 0.000 0.451 116 L N 1.213 122.292 121.223 -0.239 0.000 2.131 116 L HA -0.111 4.251 4.340 0.038 0.000 0.206 116 L C 2.125 178.859 176.870 -0.226 0.000 1.087 116 L CA 0.814 55.346 54.840 -0.513 0.000 0.767 116 L CB -0.223 41.496 42.059 -0.567 0.000 0.917 116 L HN 0.295 nan 8.230 nan 0.000 0.441 117 L N 0.571 121.703 121.223 -0.151 0.000 2.010 117 L HA -0.240 4.122 4.340 0.038 0.000 0.219 117 L C -0.310 176.517 176.870 -0.072 0.000 1.077 117 L CA 2.158 56.933 54.840 -0.108 0.000 0.773 117 L CB -1.681 40.317 42.059 -0.101 0.000 0.892 117 L HN 0.263 nan 8.230 nan 0.000 0.436 118 P HA -0.121 nan 4.420 nan 0.000 0.225 118 P C 1.604 178.896 177.300 -0.015 0.000 1.148 118 P CA 1.092 64.178 63.100 -0.024 0.000 0.779 118 P CB 0.060 31.756 31.700 -0.007 0.000 0.780 119 L N -2.187 119.021 121.223 -0.026 0.000 2.509 119 L HA 0.079 4.442 4.340 0.038 0.000 0.222 119 L C 1.025 177.893 176.870 -0.004 0.000 1.123 119 L CA 0.031 54.870 54.840 -0.003 0.000 0.856 119 L CB -0.394 41.667 42.059 0.004 0.000 0.985 119 L HN -0.033 nan 8.230 nan 0.000 0.456 120 L N 0.330 121.540 121.223 -0.022 0.000 2.395 120 L HA 0.216 4.578 4.340 0.038 0.000 0.269 120 L C -0.093 176.775 176.870 -0.003 0.000 1.133 120 L CA -0.054 54.779 54.840 -0.011 0.000 0.812 120 L CB 0.864 42.909 42.059 -0.023 0.000 1.125 120 L HN 0.138 nan 8.230 nan 0.000 0.452 121 Q N 0.764 120.568 119.800 0.007 0.000 2.301 121 Q HA 0.179 4.542 4.340 0.038 0.000 0.267 121 Q C -0.118 175.886 176.000 0.007 0.000 1.035 121 Q CA -0.953 54.854 55.803 0.007 0.000 0.856 121 Q CB 1.974 30.719 28.738 0.013 0.000 1.337 121 Q HN 0.458 nan 8.270 nan 0.000 0.450 122 D N 1.063 121.465 120.400 0.003 0.000 2.157 122 D HA -0.233 4.430 4.640 0.038 0.000 0.191 122 D C 0.952 177.257 176.300 0.008 0.000 1.004 122 D CA 1.519 55.521 54.000 0.002 0.000 0.854 122 D CB 0.069 40.869 40.800 0.000 0.000 0.936 122 D HN 0.553 nan 8.370 nan 0.000 0.446 123 D N 0.791 121.197 120.400 0.010 0.000 2.149 123 D HA -0.114 4.549 4.640 0.038 0.000 0.194 123 D C 0.168 176.480 176.300 0.020 0.000 1.001 123 D CA 0.858 54.866 54.000 0.013 0.000 0.849 123 D CB -0.250 40.559 40.800 0.015 0.000 0.939 123 D HN 0.265 nan 8.370 nan 0.000 0.449 124 D N 0.057 120.473 120.400 0.027 0.000 2.443 124 D HA 0.052 4.715 4.640 0.038 0.000 0.234 124 D C 0.226 176.555 176.300 0.048 0.000 1.172 124 D CA 0.338 54.363 54.000 0.041 0.000 0.878 124 D CB 0.773 41.602 40.800 0.049 0.000 1.204 124 D HN 0.050 nan 8.370 nan 0.000 0.453 125 I N 2.068 122.675 120.570 0.061 0.000 2.339 125 I HA 0.244 4.437 4.170 0.038 0.000 0.290 125 I C -0.094 176.106 176.117 0.140 0.000 0.994 125 I CA -0.368 60.978 61.300 0.076 0.000 1.191 125 I CB 0.903 38.929 38.000 0.044 0.000 1.343 125 I HN 0.084 nan 8.210 nan 0.000 0.458 126 I N 6.118 126.796 120.570 0.179 0.000 2.354 126 I HA 0.263 4.456 4.170 0.038 0.000 0.292 126 I C -1.153 175.199 176.117 0.391 0.000 0.989 126 I CA -0.473 60.987 61.300 0.267 0.000 1.188 126 I CB 1.391 39.538 38.000 0.245 0.000 1.342 126 I HN 0.547 nan 8.210 nan 0.000 0.457 127 W N 8.690 130.099 121.300 0.181 0.000 2.499 127 W HA 0.513 5.196 4.660 0.038 0.000 0.320 127 W C -1.520 175.080 176.519 0.136 0.000 1.010 127 W CA -1.075 56.338 57.345 0.113 0.000 1.267 127 W CB 1.006 30.458 29.460 -0.014 0.000 1.316 127 W HN 0.154 nan 8.180 nan 0.000 0.431 128 I N 6.122 126.982 120.570 0.485 0.000 2.392 128 I HA 0.279 4.472 4.170 0.038 0.000 0.295 128 I C 0.131 176.271 176.117 0.038 0.000 0.985 128 I CA -0.750 60.792 61.300 0.402 0.000 1.221 128 I CB 1.317 39.765 38.000 0.747 0.000 1.366 128 I HN 0.321 nan 8.210 nan 0.000 0.467 129 H N 4.277 123.408 119.070 0.102 0.000 2.547 129 H HA 0.366 4.945 4.556 0.038 0.000 0.342 129 H C -0.720 174.689 175.328 0.134 0.000 1.048 129 H CA -0.385 55.671 56.048 0.013 0.000 1.204 129 H CB 1.998 31.754 29.762 -0.010 0.000 1.493 129 H HN 0.597 nan 8.280 nan 0.000 0.511 130 D N 0.461 120.949 120.400 0.147 0.000 10.639 130 D HA -0.229 4.433 4.640 0.038 0.000 0.356 130 D C 0.666 177.272 176.300 0.510 0.000 3.104 130 D CA 0.735 54.944 54.000 0.349 0.000 2.568 130 D CB -0.394 40.565 40.800 0.266 0.000 1.215 130 D HN 0.680 nan 8.370 nan 0.000 0.959 131 Y N -0.425 120.131 120.300 0.426 0.000 2.497 131 Y HA 0.096 4.669 4.550 0.037 0.000 0.292 131 Y C 2.048 178.134 175.900 0.311 0.000 1.137 131 Y CA 1.655 59.934 58.100 0.299 0.000 1.285 131 Y CB -0.784 37.646 38.460 -0.050 0.000 0.991 131 Y HN 0.451 nan 8.280 nan 0.000 0.556 132 H N 0.567 119.653 119.070 0.027 0.000 2.489 132 H HA 0.065 4.643 4.556 0.037 0.000 0.293 132 H C 0.798 176.392 175.328 0.443 0.000 1.066 132 H CA 1.583 57.788 56.048 0.262 0.000 1.305 132 H CB -0.155 29.640 29.762 0.056 0.000 1.386 132 H HN 0.411 nan 8.280 nan 0.000 0.551 133 L N 0.265 121.820 121.223 0.553 0.000 3.289 133 L HA 0.174 4.537 4.340 0.038 0.000 0.291 133 L C 0.816 177.998 176.870 0.521 0.000 1.279 133 L CA -0.081 55.044 54.840 0.475 0.000 1.025 133 L CB 0.403 42.695 42.059 0.388 0.000 1.413 133 L HN 0.184 nan 8.230 nan 0.000 0.593 134 L N 0.734 122.257 121.223 0.500 0.000 2.021 134 L HA -0.179 4.183 4.340 0.038 0.000 0.215 134 L C -0.487 176.592 176.870 0.348 0.000 1.074 134 L CA 1.655 56.696 54.840 0.335 0.000 0.760 134 L CB -1.510 40.848 42.059 0.499 0.000 0.889 134 L HN 0.325 nan 8.230 nan 0.000 0.433 135 P HA -0.085 nan 4.420 nan 0.000 0.245 135 P C 1.186 178.603 177.300 0.195 0.000 1.212 135 P CA 0.586 63.808 63.100 0.204 0.000 0.774 135 P CB -0.011 31.736 31.700 0.078 0.000 0.999 136 F N 1.536 121.556 119.950 0.117 0.000 2.146 136 F HA -0.065 4.485 4.527 0.039 0.000 0.298 136 F C 2.293 178.064 175.800 -0.047 0.000 1.096 136 F CA 1.295 59.345 58.000 0.084 0.000 1.275 136 F CB -0.807 38.334 39.000 0.235 0.000 1.008 136 F HN -0.079 nan 8.300 nan 0.000 0.480 137 A N -0.580 122.106 122.820 -0.223 0.000 1.917 137 A HA -0.308 4.034 4.320 0.038 0.000 0.219 137 A C 2.388 179.780 177.584 -0.320 0.000 1.182 137 A CA 2.060 53.791 52.037 -0.509 0.000 0.633 137 A CB -1.509 16.722 19.000 -1.282 0.000 0.819 137 A HN 0.657 nan 8.150 nan 0.000 0.448 138 H N -0.509 118.382 119.070 -0.299 0.000 2.353 138 H HA -0.116 4.463 4.556 0.038 0.000 0.300 138 H C 1.832 177.033 175.328 -0.210 0.000 1.090 138 H CA 1.744 57.672 56.048 -0.200 0.000 1.327 138 H CB 0.072 29.760 29.762 -0.124 0.000 1.383 138 H HN 0.433 nan 8.280 nan 0.000 0.508 139 E N 0.944 120.980 120.200 -0.274 0.000 2.051 139 E HA -0.128 4.245 4.350 0.038 0.000 0.192 139 E C 2.749 179.099 176.600 -0.417 0.000 0.991 139 E CA 0.566 56.749 56.400 -0.362 0.000 0.799 139 E CB -0.372 29.118 29.700 -0.350 0.000 0.748 139 E HN 0.526 nan 8.360 nan 0.000 0.449 140 L N 0.686 121.621 121.223 -0.479 0.000 2.083 140 L HA -0.164 4.198 4.340 0.038 0.000 0.209 140 L C 2.507 179.217 176.870 -0.268 0.000 1.083 140 L CA 0.925 55.536 54.840 -0.381 0.000 0.752 140 L CB -0.367 41.475 42.059 -0.361 0.000 0.899 140 L HN 0.001 nan 8.230 nan 0.000 0.433 141 R N 1.170 121.509 120.500 -0.269 0.000 2.081 141 R HA -0.138 4.225 4.340 0.038 0.000 0.235 141 R C 2.094 178.258 176.300 -0.227 0.000 1.131 141 R CA 1.368 57.342 56.100 -0.212 0.000 0.960 141 R CB -0.686 29.503 30.300 -0.186 0.000 0.856 141 R HN 0.532 nan 8.270 nan 0.000 0.436 142 K N 0.407 120.616 120.400 -0.317 0.000 2.439 142 K HA -0.036 4.307 4.320 0.038 0.000 0.197 142 K C 1.299 177.784 176.600 -0.192 0.000 1.041 142 K CA 0.980 57.109 56.287 -0.264 0.000 0.970 142 K CB -0.016 32.290 32.500 -0.324 0.000 0.773 142 K HN 0.007 nan 8.250 nan 0.000 0.479 143 R N 0.199 120.582 120.500 -0.196 0.000 2.356 143 R HA 0.091 4.454 4.340 0.038 0.000 0.234 143 R C 0.538 176.764 176.300 -0.123 0.000 0.929 143 R CA 0.486 56.493 56.100 -0.154 0.000 1.084 143 R CB 0.479 30.677 30.300 -0.170 0.000 1.105 143 R HN 0.550 nan 8.270 nan 0.000 0.515 144 G N 0.726 109.454 108.800 -0.119 0.000 2.141 144 G HA2 -0.268 3.715 3.960 0.038 0.000 0.242 144 G HA3 -0.268 3.715 3.960 0.038 0.000 0.242 144 G C 0.075 174.928 174.900 -0.078 0.000 0.982 144 G CA 0.186 45.233 45.100 -0.087 0.000 0.662 144 G HN 0.311 nan 8.290 nan 0.000 0.527 145 V N -0.189 119.667 119.914 -0.096 0.000 2.439 145 V HA 0.618 4.760 4.120 0.038 0.000 0.271 145 V C 0.825 176.886 176.094 -0.054 0.000 1.040 145 V CA 0.165 62.421 62.300 -0.074 0.000 1.002 145 V CB 1.069 32.843 31.823 -0.082 0.000 1.000 145 V HN 0.170 nan 8.190 nan 0.000 0.477 146 N N 4.602 123.284 118.700 -0.031 0.000 2.236 146 N HA 0.145 4.908 4.740 0.038 0.000 0.196 146 N C 0.425 175.936 175.510 0.002 0.000 1.114 146 N CA 0.073 53.114 53.050 -0.015 0.000 0.859 146 N CB -0.101 38.379 38.487 -0.012 0.000 0.982 146 N HN 0.752 nan 8.380 nan 0.000 0.493 147 N N 1.376 120.079 118.700 0.006 0.000 2.305 147 N HA -0.010 4.752 4.740 0.038 0.000 0.232 147 N C 0.144 175.679 175.510 0.042 0.000 1.274 147 N CA 0.333 53.398 53.050 0.024 0.000 0.870 147 N CB 0.773 39.280 38.487 0.033 0.000 1.105 147 N HN -0.019 nan 8.380 nan 0.000 0.436 148 R N 1.218 121.745 120.500 0.045 0.000 2.484 148 R HA 0.178 4.541 4.340 0.038 0.000 0.293 148 R C -0.218 176.148 176.300 0.110 0.000 1.023 148 R CA 0.525 56.661 56.100 0.060 0.000 1.037 148 R CB 0.050 30.366 30.300 0.027 0.000 0.951 148 R HN 0.430 nan 8.270 nan 0.000 0.418 149 I N 1.828 122.496 120.570 0.163 0.000 2.447 149 I HA 0.374 4.567 4.170 0.038 0.000 0.287 149 I C 0.565 176.922 176.117 0.399 0.000 1.023 149 I CA -0.769 60.704 61.300 0.287 0.000 1.083 149 I CB 2.196 40.359 38.000 0.271 0.000 1.245 149 I HN 0.627 nan 8.210 nan 0.000 0.434 150 G N 4.716 113.757 108.800 0.400 0.000 2.417 150 G HA2 0.658 4.641 3.960 0.038 0.000 0.334 150 G HA3 0.658 4.641 3.960 0.038 0.000 0.334 150 G C -1.688 173.503 174.900 0.485 0.000 1.150 150 G CA -0.347 44.994 45.100 0.402 0.000 0.923 150 G HN 0.405 nan 8.290 nan 0.000 0.485 151 F N 1.101 121.059 119.950 0.013 0.000 2.532 151 F HA 0.775 5.324 4.527 0.038 0.000 0.321 151 F C -1.564 174.218 175.800 -0.030 0.000 1.089 151 F CA -1.926 55.894 58.000 -0.301 0.000 0.926 151 F CB 2.148 40.423 39.000 -1.209 0.000 1.168 151 F HN 0.369 nan 8.300 nan 0.000 0.459 152 F N 7.277 126.641 119.950 -0.977 0.000 2.529 152 F HA 0.528 5.077 4.527 0.037 0.000 0.320 152 F C -1.926 173.326 175.800 -0.914 0.000 1.118 152 F CA -0.866 56.698 58.000 -0.728 0.000 0.915 152 F CB 1.271 40.014 39.000 -0.429 0.000 1.161 152 F HN 0.414 nan 8.300 nan 0.000 0.445 153 L N 7.137 127.585 121.223 -1.293 0.000 2.257 153 L HA 0.291 4.654 4.340 0.038 0.000 0.290 153 L C 0.570 177.191 176.870 -0.416 0.000 1.044 153 L CA -0.283 54.251 54.840 -0.510 0.000 0.810 153 L CB 0.932 42.936 42.059 -0.092 0.000 1.193 153 L HN 0.826 nan 8.230 nan 0.000 0.425 154 H N 5.384 124.523 119.070 0.115 0.000 2.548 154 H HA 0.100 4.678 4.556 0.037 0.000 0.268 154 H C 0.425 175.945 175.328 0.320 0.000 0.975 154 H CA 0.413 56.674 56.048 0.356 0.000 1.195 154 H CB 0.780 30.823 29.762 0.469 0.000 1.397 154 H HN 0.572 nan 8.280 nan 0.000 0.572 155 I N -1.786 119.017 120.570 0.388 0.000 3.133 155 I HA 0.520 4.713 4.170 0.038 0.000 0.311 155 I C -2.835 173.378 176.117 0.159 0.000 1.072 155 I CA -2.923 58.517 61.300 0.234 0.000 1.015 155 I CB 1.749 39.823 38.000 0.123 0.000 1.233 155 I HN -0.334 nan 8.210 nan 0.000 0.473 156 P HA 0.149 nan 4.420 nan 0.000 0.272 156 P C -1.403 175.956 177.300 0.098 0.000 1.230 156 P CA 0.218 63.356 63.100 0.065 0.000 0.788 156 P CB 0.255 31.939 31.700 -0.026 0.000 0.949 157 F N 3.384 123.339 119.950 0.007 0.000 2.411 157 F HA 0.453 5.003 4.527 0.038 0.000 0.352 157 F C -2.227 173.420 175.800 -0.255 0.000 1.123 157 F CA -2.546 55.331 58.000 -0.205 0.000 1.044 157 F CB 1.441 40.426 39.000 -0.026 0.000 1.135 157 F HN 0.193 nan 8.300 nan 0.000 0.461 158 P HA 0.190 nan 4.420 nan 0.000 0.281 158 P C -0.749 176.451 177.300 -0.168 0.000 1.249 158 P CA -0.331 62.504 63.100 -0.441 0.000 0.810 158 P CB 1.063 32.240 31.700 -0.872 0.000 1.008 159 T N -0.220 114.299 114.554 -0.059 0.000 2.855 159 T HA 0.076 4.449 4.350 0.038 0.000 0.314 159 T C -1.614 173.076 174.700 -0.015 0.000 1.077 159 T CA -1.003 61.105 62.100 0.013 0.000 1.095 159 T CB -0.957 67.946 68.868 0.059 0.000 0.987 159 T HN 0.269 nan 8.240 nan 0.000 0.546 160 P HA -0.173 nan 4.420 nan 0.000 0.216 160 P C 1.636 178.917 177.300 -0.031 0.000 1.157 160 P CA 1.131 64.252 63.100 0.036 0.000 0.880 160 P CB 0.006 31.707 31.700 0.003 0.000 0.791 161 E N -1.197 118.972 120.200 -0.052 0.000 2.219 161 E HA -0.166 4.207 4.350 0.038 0.000 0.198 161 E C 1.984 178.512 176.600 -0.120 0.000 0.998 161 E CA 1.032 57.385 56.400 -0.079 0.000 0.818 161 E CB -0.511 29.160 29.700 -0.049 0.000 0.741 161 E HN 0.341 nan 8.360 nan 0.000 0.477 162 I N -0.841 119.636 120.570 -0.155 0.000 2.729 162 I HA -0.115 4.077 4.170 0.038 0.000 0.256 162 I C 1.972 177.964 176.117 -0.208 0.000 1.115 162 I CA 0.148 61.309 61.300 -0.230 0.000 1.446 162 I CB -0.152 37.582 38.000 -0.443 0.000 1.176 162 I HN -0.050 nan 8.210 nan 0.000 0.446 163 F N 1.985 121.750 119.950 -0.308 0.000 2.161 163 F HA -0.238 4.311 4.527 0.037 0.000 0.300 163 F C 2.081 177.755 175.800 -0.210 0.000 1.089 163 F CA 1.597 59.443 58.000 -0.257 0.000 1.282 163 F CB -0.363 38.521 39.000 -0.193 0.000 1.010 163 F HN 0.108 nan 8.300 nan 0.000 0.485 164 N N 0.503 119.039 118.700 -0.275 0.000 2.573 164 N HA -0.035 4.728 4.740 0.038 0.000 0.187 164 N C 1.722 176.854 175.510 -0.630 0.000 1.107 164 N CA 0.891 53.531 53.050 -0.683 0.000 0.918 164 N CB -0.473 37.666 38.487 -0.580 0.000 0.966 164 N HN 0.419 nan 8.380 nan 0.000 0.448 165 A N 0.072 122.644 122.820 -0.413 0.000 2.067 165 A HA 0.047 4.389 4.320 0.038 0.000 0.217 165 A C 0.643 178.019 177.584 -0.347 0.000 1.156 165 A CA 0.048 51.889 52.037 -0.327 0.000 0.683 165 A CB -0.124 18.733 19.000 -0.238 0.000 0.808 165 A HN 0.096 nan 8.150 nan 0.000 0.455 166 L N 0.598 121.581 121.223 -0.401 0.000 2.615 166 L HA 0.110 4.472 4.340 0.038 0.000 0.271 166 L C -1.523 175.124 176.870 -0.371 0.000 1.183 166 L CA -1.224 53.386 54.840 -0.383 0.000 0.933 166 L CB 0.360 42.156 42.059 -0.437 0.000 1.199 166 L HN 0.061 nan 8.230 nan 0.000 0.487 167 P HA -0.097 nan 4.420 nan 0.000 0.222 167 P C 0.976 178.011 177.300 -0.442 0.000 1.142 167 P CA 1.107 63.832 63.100 -0.626 0.000 0.788 167 P CB 0.339 31.256 31.700 -1.304 0.000 0.767 168 T N -2.690 111.590 114.554 -0.458 0.000 3.170 168 T HA 0.109 4.482 4.350 0.038 0.000 0.288 168 T C 1.035 175.532 174.700 -0.338 0.000 0.992 168 T CA -0.469 61.291 62.100 -0.566 0.000 0.909 168 T CB -0.421 67.778 68.868 -1.115 0.000 1.133 168 T HN 0.099 nan 8.240 nan 0.000 0.530 169 Y N 0.358 120.460 120.300 -0.330 0.000 2.165 169 Y HA -0.103 4.470 4.550 0.038 0.000 0.286 169 Y C 1.860 177.829 175.900 0.115 0.000 1.155 169 Y CA 1.385 59.318 58.100 -0.280 0.000 1.164 169 Y CB -0.650 37.490 38.460 -0.533 0.000 0.978 169 Y HN 0.081 nan 8.280 nan 0.000 0.513 170 D N 0.870 120.518 120.400 -1.253 0.000 2.797 170 D HA -0.277 4.386 4.640 0.038 0.000 0.222 170 D C 2.042 178.188 176.300 -0.255 0.000 1.070 170 D CA 3.077 56.572 54.000 -0.843 0.000 0.926 170 D CB -0.740 39.653 40.800 -0.677 0.000 1.136 170 D HN 0.508 nan 8.370 nan 0.000 0.487 171 T N 0.052 114.512 114.554 -0.157 0.000 2.788 171 T HA -0.108 4.265 4.350 0.038 0.000 0.268 171 T C 1.792 176.570 174.700 0.130 0.000 1.044 171 T CA 0.497 62.594 62.100 -0.005 0.000 1.139 171 T CB -0.180 68.790 68.868 0.168 0.000 0.867 171 T HN 0.030 nan 8.240 nan 0.000 0.454 172 L N 0.578 121.955 121.223 0.256 0.000 2.046 172 L HA 0.024 4.386 4.340 0.038 0.000 0.208 172 L C 2.204 179.333 176.870 0.433 0.000 1.077 172 L CA 1.292 56.403 54.840 0.452 0.000 0.747 172 L CB -1.276 41.163 42.059 0.634 0.000 0.896 172 L HN 0.220 nan 8.230 nan 0.000 0.432 173 L N -0.650 120.827 121.223 0.424 0.000 2.027 173 L HA -0.164 4.199 4.340 0.038 0.000 0.206 173 L C 2.522 179.586 176.870 0.324 0.000 1.074 173 L CA 1.385 56.483 54.840 0.429 0.000 0.745 173 L CB -0.941 41.377 42.059 0.431 0.000 0.898 173 L HN 0.293 nan 8.230 nan 0.000 0.433 174 E N -0.912 119.336 120.200 0.080 0.000 2.070 174 E HA -0.284 4.088 4.350 0.038 0.000 0.197 174 E C 2.214 178.757 176.600 -0.095 0.000 1.004 174 E CA 1.757 57.976 56.400 -0.302 0.000 0.805 174 E CB -0.037 29.341 29.700 -0.538 0.000 0.744 174 E HN 0.543 nan 8.360 nan 0.000 0.451 175 Q N -0.293 119.483 119.800 -0.040 0.000 2.187 175 Q HA -0.050 4.313 4.340 0.038 0.000 0.199 175 Q C 2.289 178.341 176.000 0.086 0.000 0.957 175 Q CA 0.564 56.345 55.803 -0.035 0.000 0.857 175 Q CB 0.074 28.791 28.738 -0.035 0.000 0.929 175 Q HN 0.306 nan 8.270 nan 0.000 0.453 176 L N -0.190 121.146 121.223 0.188 0.000 2.131 176 L HA -0.210 4.152 4.340 0.038 0.000 0.210 176 L C 1.995 178.949 176.870 0.140 0.000 1.092 176 L CA 0.589 55.566 54.840 0.228 0.000 0.759 176 L CB -0.244 41.955 42.059 0.233 0.000 0.903 176 L HN 0.338 nan 8.230 nan 0.000 0.435 177 C N -0.244 119.084 119.300 0.046 0.000 2.511 177 C HA -0.058 4.425 4.460 0.038 0.000 0.277 177 C C 1.859 176.877 174.990 0.047 0.000 1.451 177 C CA -0.044 58.891 59.018 -0.138 0.000 1.735 177 C CB -1.220 26.534 27.740 0.023 0.000 1.704 177 C HN 0.469 nan 8.230 nan 0.000 0.571 178 D N -0.779 119.645 120.400 0.040 0.000 2.348 178 D HA 0.048 4.711 4.640 0.038 0.000 0.211 178 D C 0.292 176.562 176.300 -0.049 0.000 0.998 178 D CA 0.436 54.438 54.000 0.002 0.000 0.873 178 D CB 0.066 40.840 40.800 -0.044 0.000 0.925 178 D HN 0.457 nan 8.370 nan 0.000 0.524 179 Y N 1.543 121.896 120.300 0.088 0.000 2.397 179 Y HA 0.002 4.575 4.550 0.038 0.000 0.335 179 Y C 1.716 177.724 175.900 0.180 0.000 1.213 179 Y CA -0.024 58.156 58.100 0.134 0.000 1.391 179 Y CB 0.787 39.329 38.460 0.137 0.000 1.293 179 Y HN -0.192 nan 8.280 nan 0.000 0.557 180 D N 1.100 121.706 120.400 0.342 0.000 2.194 180 D HA -0.022 4.640 4.640 0.038 0.000 0.204 180 D C -0.292 176.173 176.300 0.274 0.000 0.964 180 D CA 1.173 55.333 54.000 0.266 0.000 0.846 180 D CB 0.371 41.267 40.800 0.160 0.000 0.962 180 D HN 0.226 nan 8.370 nan 0.000 0.490 181 L N 1.020 122.398 121.223 0.258 0.000 2.438 181 L HA 0.308 4.670 4.340 0.038 0.000 0.270 181 L C -1.891 175.102 176.870 0.206 0.000 0.972 181 L CA -0.572 54.367 54.840 0.165 0.000 0.831 181 L CB 2.072 44.070 42.059 -0.102 0.000 1.273 181 L HN -0.306 nan 8.230 nan 0.000 0.405 182 L N 4.770 126.127 121.223 0.224 0.000 2.305 182 L HA 0.735 5.098 4.340 0.038 0.000 0.284 182 L C 0.442 177.356 176.870 0.073 0.000 1.013 182 L CA -0.245 54.635 54.840 0.066 0.000 0.819 182 L CB 1.005 43.043 42.059 -0.036 0.000 1.227 182 L HN 0.800 nan 8.230 nan 0.000 0.417 183 G N 2.822 111.618 108.800 -0.007 0.000 2.388 183 G HA2 0.694 4.676 3.960 0.038 0.000 0.330 183 G HA3 0.694 4.676 3.960 0.038 0.000 0.330 183 G C -1.232 173.386 174.900 -0.469 0.000 1.142 183 G CA -0.168 45.130 45.100 0.329 0.000 0.908 183 G HN 0.291 nan 8.290 nan 0.000 0.473 184 F N -0.829 119.211 119.950 0.150 0.000 2.620 184 F HA 0.408 4.957 4.527 0.037 0.000 0.320 184 F C 1.304 177.171 175.800 0.112 0.000 1.069 184 F CA -0.798 57.147 58.000 -0.092 0.000 0.953 184 F CB 2.577 41.587 39.000 0.016 0.000 1.322 184 F HN 0.450 nan 8.300 nan 0.000 0.479 185 Q N -0.274 119.686 119.800 0.267 0.000 2.187 185 Q HA 0.047 4.410 4.340 0.038 0.000 0.199 185 Q C 0.125 176.318 176.000 0.321 0.000 0.957 185 Q CA 1.211 57.246 55.803 0.386 0.000 0.857 185 Q CB 0.338 29.273 28.738 0.329 0.000 0.929 185 Q HN 0.760 nan 8.270 nan 0.000 0.453 186 T N -4.142 110.567 114.554 0.257 0.000 2.896 186 T HA 0.270 4.643 4.350 0.038 0.000 0.297 186 T C 0.391 175.167 174.700 0.128 0.000 1.108 186 T CA -0.746 61.461 62.100 0.178 0.000 1.004 186 T CB 1.610 70.562 68.868 0.141 0.000 1.159 186 T HN -0.055 nan 8.240 nan 0.000 0.499 187 E N 1.316 121.566 120.200 0.084 0.000 2.114 187 E HA -0.221 4.152 4.350 0.038 0.000 0.199 187 E C 1.637 178.233 176.600 -0.006 0.000 1.008 187 E CA 2.066 58.485 56.400 0.032 0.000 0.810 187 E CB -0.383 29.333 29.700 0.026 0.000 0.739 187 E HN 0.617 nan 8.360 nan 0.000 0.456 188 N N 0.946 119.659 118.700 0.021 0.000 2.149 188 N HA -0.146 4.617 4.740 0.038 0.000 0.188 188 N C 1.196 176.698 175.510 -0.012 0.000 1.019 188 N CA 1.461 54.519 53.050 0.012 0.000 0.857 188 N CB -0.403 38.113 38.487 0.048 0.000 0.997 188 N HN 0.330 nan 8.380 nan 0.000 0.426 189 D N 0.413 120.823 120.400 0.015 0.000 2.097 189 D HA -0.150 4.513 4.640 0.038 0.000 0.195 189 D C 1.992 178.024 176.300 -0.446 0.000 0.989 189 D CA 0.742 54.741 54.000 -0.002 0.000 0.827 189 D CB -0.143 40.789 40.800 0.220 0.000 0.966 189 D HN 0.301 nan 8.370 nan 0.000 0.456 190 R N 0.172 120.303 120.500 -0.615 0.000 2.080 190 R HA -0.144 4.219 4.340 0.038 0.000 0.236 190 R C 2.261 178.253 176.300 -0.512 0.000 1.137 190 R CA 0.890 56.399 56.100 -0.985 0.000 0.943 190 R CB -0.256 29.811 30.300 -0.387 0.000 0.846 190 R HN 0.045 nan 8.270 nan 0.000 0.431 191 L N 0.638 121.702 121.223 -0.265 0.000 2.042 191 L HA -0.120 4.243 4.340 0.038 0.000 0.210 191 L C 2.484 179.237 176.870 -0.194 0.000 1.076 191 L CA 2.046 56.781 54.840 -0.174 0.000 0.749 191 L CB -1.178 40.825 42.059 -0.093 0.000 0.893 191 L HN 0.306 nan 8.230 nan 0.000 0.432 192 A N -1.066 121.652 122.820 -0.170 0.000 1.877 192 A HA -0.277 4.065 4.320 0.038 0.000 0.216 192 A C 2.294 179.722 177.584 -0.259 0.000 1.186 192 A CA 1.644 53.621 52.037 -0.100 0.000 0.620 192 A CB -1.024 18.018 19.000 0.069 0.000 0.822 192 A HN 0.407 nan 8.150 nan 0.000 0.443 193 F N 0.301 119.777 119.950 -0.790 0.000 2.091 193 F HA -0.199 4.351 4.527 0.038 0.000 0.299 193 F C 1.732 177.175 175.800 -0.595 0.000 1.103 193 F CA 1.749 59.010 58.000 -1.231 0.000 1.228 193 F CB -0.291 37.856 39.000 -1.421 0.000 0.984 193 F HN 0.147 nan 8.300 nan 0.000 0.477 194 L N 0.586 121.440 121.223 -0.615 0.000 2.141 194 L HA -0.174 4.189 4.340 0.038 0.000 0.209 194 L C 2.228 178.848 176.870 -0.417 0.000 1.094 194 L CA 1.536 56.043 54.840 -0.554 0.000 0.763 194 L CB -1.397 40.475 42.059 -0.311 0.000 0.908 194 L HN 0.263 nan 8.230 nan 0.000 0.437 195 D N -1.132 119.080 120.400 -0.314 0.000 2.084 195 D HA -0.179 4.484 4.640 0.038 0.000 0.196 195 D C 2.216 178.406 176.300 -0.184 0.000 0.985 195 D CA 1.600 55.480 54.000 -0.199 0.000 0.826 195 D CB 0.300 41.022 40.800 -0.130 0.000 0.978 195 D HN 0.339 nan 8.370 nan 0.000 0.456 196 C N 0.671 119.851 119.300 -0.200 0.000 2.385 196 C HA -0.197 4.286 4.460 0.038 0.000 0.275 196 C C 2.735 177.650 174.990 -0.124 0.000 1.207 196 C CA 0.253 59.215 59.018 -0.093 0.000 1.760 196 C CB -1.187 26.487 27.740 -0.110 0.000 2.051 196 C HN 0.384 nan 8.230 nan 0.000 0.467 197 L N 1.258 122.253 121.223 -0.379 0.000 1.989 197 L HA -0.135 4.227 4.340 0.038 0.000 0.211 197 L C 2.598 179.323 176.870 -0.241 0.000 1.071 197 L CA 2.132 56.761 54.840 -0.353 0.000 0.749 197 L CB -0.833 40.861 42.059 -0.608 0.000 0.890 197 L HN 0.264 nan 8.230 nan 0.000 0.431 198 S N -0.288 115.273 115.700 -0.232 0.000 2.442 198 S HA -0.138 4.354 4.470 0.038 0.000 0.236 198 S C 1.717 176.256 174.600 -0.103 0.000 1.007 198 S CA 1.033 59.132 58.200 -0.168 0.000 0.965 198 S CB -0.489 62.625 63.200 -0.143 0.000 0.773 198 S HN 0.494 nan 8.310 nan 0.000 0.504 199 N N 1.161 119.826 118.700 -0.059 0.000 2.331 199 N HA 0.115 4.878 4.740 0.038 0.000 0.180 199 N C 1.468 177.002 175.510 0.040 0.000 1.019 199 N CA 0.524 53.573 53.050 -0.002 0.000 0.881 199 N CB -0.179 38.324 38.487 0.027 0.000 0.972 199 N HN 0.348 nan 8.380 nan 0.000 0.435 200 L N -1.081 120.174 121.223 0.053 0.000 2.200 200 L HA 0.074 4.436 4.340 0.038 0.000 0.200 200 L C 0.664 177.541 176.870 0.011 0.000 1.072 200 L CA 0.886 55.794 54.840 0.113 0.000 0.787 200 L CB 0.191 42.377 42.059 0.210 0.000 0.957 200 L HN 0.066 nan 8.230 nan 0.000 0.459 201 T N -0.848 113.605 114.554 -0.168 0.000 2.841 201 T HA 0.357 4.729 4.350 0.038 0.000 0.296 201 T C -0.932 173.586 174.700 -0.305 0.000 1.166 201 T CA -0.803 61.101 62.100 -0.327 0.000 1.007 201 T CB 1.351 69.682 68.868 -0.895 0.000 1.253 201 T HN 0.035 nan 8.240 nan 0.000 0.511 202 R N 1.872 122.209 120.500 -0.272 0.000 2.370 202 R HA 0.393 4.756 4.340 0.038 0.000 0.309 202 R C -0.057 176.110 176.300 -0.222 0.000 1.059 202 R CA -0.355 55.628 56.100 -0.195 0.000 0.981 202 R CB 0.323 30.544 30.300 -0.130 0.000 0.972 202 R HN 0.451 nan 8.270 nan 0.000 0.437 203 V N 0.677 120.489 119.914 -0.169 0.000 2.357 203 V HA 0.359 4.501 4.120 0.038 0.000 0.284 203 V C -0.097 175.956 176.094 -0.068 0.000 1.018 203 V CA -0.549 61.678 62.300 -0.120 0.000 0.841 203 V CB 1.765 33.516 31.823 -0.120 0.000 0.991 203 V HN 0.685 nan 8.190 nan 0.000 0.437 204 T N 4.592 119.115 114.554 -0.051 0.000 2.817 204 T HA 0.476 4.848 4.350 0.038 0.000 0.293 204 T C 0.210 174.894 174.700 -0.027 0.000 0.964 204 T CA -0.037 62.039 62.100 -0.039 0.000 1.085 204 T CB 0.930 69.773 68.868 -0.041 0.000 0.921 204 T HN 0.892 nan 8.240 nan 0.000 0.502 205 T N 2.983 117.524 114.554 -0.023 0.000 3.009 205 T HA 0.248 4.621 4.350 0.038 0.000 0.346 205 T C 1.207 175.864 174.700 -0.071 0.000 1.092 205 T CA -0.852 61.225 62.100 -0.039 0.000 1.080 205 T CB 0.606 69.505 68.868 0.053 0.000 1.037 205 T HN 0.671 nan 8.240 nan 0.000 0.487 206 R N 0.890 121.331 120.500 -0.098 0.000 2.300 206 R HA 0.454 4.817 4.340 0.038 0.000 0.199 206 R C 0.697 176.946 176.300 -0.085 0.000 0.920 206 R CA -0.202 55.851 56.100 -0.077 0.000 1.046 206 R CB 0.386 30.645 30.300 -0.067 0.000 0.984 206 R HN 0.303 nan 8.270 nan 0.000 0.493 210 S N 1.159 116.355 115.700 -0.841 0.000 2.647 210 S HA 0.479 4.971 4.470 0.038 0.000 0.300 210 S C -1.111 172.994 174.600 -0.825 0.000 1.129 210 S CA -0.535 57.249 58.200 -0.693 0.000 1.029 210 S CB 0.566 63.571 63.200 -0.325 0.000 1.007 210 S HN 0.287 nan 8.310 nan 0.000 0.484 211 H N 1.855 120.659 119.070 -0.442 0.000 2.894 211 H HA 0.575 5.154 4.556 0.038 0.000 0.368 211 H C -0.773 174.220 175.328 -0.558 0.000 1.181 211 H CA -0.716 54.981 56.048 -0.584 0.000 1.146 211 H CB 1.906 31.115 29.762 -0.921 0.000 1.839 211 H HN 0.471 nan 8.280 nan 0.000 0.557 212 T N 0.963 115.417 114.554 -0.167 0.000 2.928 212 T HA 0.637 5.009 4.350 0.038 0.000 0.296 212 T C -1.036 173.714 174.700 0.083 0.000 1.000 212 T CA -0.588 61.508 62.100 -0.007 0.000 0.989 212 T CB 1.290 70.155 68.868 -0.004 0.000 1.005 212 T HN 0.767 nan 8.240 nan 0.000 0.442 213 A N 2.779 125.749 122.820 0.250 0.000 2.427 213 A HA 0.632 4.975 4.320 0.038 0.000 0.298 213 A C -0.443 177.286 177.584 0.242 0.000 1.036 213 A CA -0.644 51.431 52.037 0.063 0.000 0.701 213 A CB 0.770 19.776 19.000 0.009 0.000 1.250 213 A HN 0.952 nan 8.150 nan 0.000 0.412 214 W N 1.798 123.166 121.300 0.112 0.000 5.538 214 W HA -0.252 4.430 4.660 0.037 0.000 0.377 214 W C 1.280 177.852 176.519 0.089 0.000 1.406 214 W CA 1.761 59.157 57.345 0.085 0.000 0.940 214 W CB -1.726 27.781 29.460 0.077 0.000 2.536 214 W HN 2.390 nan 8.180 nan 0.000 1.504 215 G N -0.405 108.538 108.800 0.238 0.000 2.175 215 G HA2 -0.358 3.624 3.960 0.038 0.000 0.265 215 G HA3 -0.358 3.624 3.960 0.038 0.000 0.265 215 G C 0.471 175.494 174.900 0.205 0.000 0.979 215 G CA 0.942 46.151 45.100 0.181 0.000 0.663 215 G HN 0.320 nan 8.290 nan 0.000 0.533 216 K N 0.621 121.198 120.400 0.295 0.000 2.211 216 K HA 0.678 5.021 4.320 0.038 0.000 0.275 216 K C 0.466 177.286 176.600 0.366 0.000 1.024 216 K CA 0.125 56.603 56.287 0.318 0.000 0.887 216 K CB 1.716 34.441 32.500 0.375 0.000 1.084 216 K HN 0.427 nan 8.250 nan 0.000 0.463 217 A N 3.625 126.606 122.820 0.270 0.000 2.327 217 A HA 0.720 5.062 4.320 0.038 0.000 0.283 217 A C -0.601 177.190 177.584 0.345 0.000 1.127 217 A CA -0.409 51.745 52.037 0.196 0.000 0.810 217 A CB -0.202 18.854 19.000 0.093 0.000 1.066 217 A HN 0.716 nan 8.150 nan 0.000 0.492 218 F N -0.595 119.459 119.950 0.172 0.000 2.719 218 F HA 0.785 5.334 4.527 0.038 0.000 0.309 218 F C -0.866 175.065 175.800 0.218 0.000 1.138 218 F CA -1.121 57.002 58.000 0.205 0.000 0.943 218 F CB 1.250 40.415 39.000 0.276 0.000 1.304 218 F HN 0.531 nan 8.300 nan 0.000 0.445 219 R N 0.549 121.243 120.500 0.324 0.000 2.711 219 R HA 0.796 5.159 4.340 0.038 0.000 0.284 219 R C -0.959 175.597 176.300 0.427 0.000 0.968 219 R CA -0.589 55.634 56.100 0.205 0.000 0.924 219 R CB 2.285 32.626 30.300 0.068 0.000 1.162 219 R HN 0.969 nan 8.270 nan 0.000 0.465 220 T N -1.160 113.648 114.554 0.423 0.000 2.924 220 T HA 0.730 5.103 4.350 0.038 0.000 0.291 220 T C -0.720 174.157 174.700 0.294 0.000 1.045 220 T CA -0.805 61.581 62.100 0.477 0.000 1.015 220 T CB 2.134 71.353 68.868 0.587 0.000 1.103 220 T HN 0.492 nan 8.240 nan 0.000 0.496 221 E N 0.198 120.583 120.200 0.309 0.000 2.409 221 E HA 0.545 4.918 4.350 0.038 0.000 0.280 221 E C -2.120 174.504 176.600 0.040 0.000 1.079 221 E CA -0.774 55.655 56.400 0.049 0.000 0.840 221 E CB 1.785 31.389 29.700 -0.160 0.000 1.309 221 E HN 0.627 nan 8.360 nan 0.000 0.447 222 V N 3.074 122.857 119.914 -0.217 0.000 2.417 222 V HA 0.518 4.661 4.120 0.038 0.000 0.291 222 V C -1.130 174.848 176.094 -0.193 0.000 1.024 222 V CA -0.455 61.845 62.300 -0.001 0.000 0.861 222 V CB 1.043 32.911 31.823 0.075 0.000 0.985 222 V HN 0.607 nan 8.190 nan 0.000 0.436 223 Y N 5.935 126.534 120.300 0.497 0.000 2.609 223 Y HA 0.376 4.948 4.550 0.037 0.000 0.350 223 Y C -2.417 173.887 175.900 0.674 0.000 1.050 223 Y CA -2.772 55.632 58.100 0.507 0.000 1.290 223 Y CB 1.475 40.157 38.460 0.370 0.000 1.094 223 Y HN 0.458 nan 8.280 nan 0.000 0.583 224 P HA 0.023 nan 4.420 nan 0.000 0.266 224 P C 0.308 177.786 177.300 0.297 0.000 1.215 224 P CA 0.346 63.703 63.100 0.428 0.000 0.763 224 P CB 1.264 33.132 31.700 0.279 0.000 0.806 225 I N 2.697 123.271 120.570 0.008 0.000 2.692 225 I HA 0.304 4.497 4.170 0.038 0.000 0.284 225 I C 0.910 176.849 176.117 -0.297 0.000 1.159 225 I CA 0.664 61.551 61.300 -0.689 0.000 1.423 225 I CB 0.574 38.028 38.000 -0.910 0.000 1.380 225 I HN 0.444 nan 8.210 nan 0.000 0.580 226 G N 6.417 115.030 108.800 -0.313 0.000 3.251 226 G HA2 0.630 4.613 3.960 0.038 0.000 0.248 226 G HA3 0.630 4.613 3.960 0.038 0.000 0.248 226 G C -1.474 173.371 174.900 -0.092 0.000 1.320 226 G CA -0.457 44.587 45.100 -0.093 0.000 0.982 226 G HN 0.427 nan 8.290 nan 0.000 0.575 227 I N -0.818 119.744 120.570 -0.014 0.000 3.174 227 I HA 0.399 4.591 4.170 0.038 0.000 0.313 227 I C -0.811 175.324 176.117 0.029 0.000 1.155 227 I CA -1.687 59.618 61.300 0.007 0.000 0.977 227 I CB 2.280 40.296 38.000 0.028 0.000 1.248 227 I HN 0.544 nan 8.210 nan 0.000 0.453 228 E N 4.901 125.123 120.200 0.037 0.000 1.993 228 E HA 0.254 4.626 4.350 0.038 0.000 0.271 228 E C -1.855 174.770 176.600 0.041 0.000 1.008 228 E CA -1.359 55.068 56.400 0.044 0.000 0.814 228 E CB 0.829 30.556 29.700 0.046 0.000 1.098 228 E HN 0.288 nan 8.360 nan 0.000 0.407 229 P HA -0.145 nan 4.420 nan 0.000 0.219 229 P C 0.957 178.274 177.300 0.027 0.000 1.150 229 P CA 0.844 63.962 63.100 0.029 0.000 0.814 229 P CB 0.392 32.104 31.700 0.020 0.000 0.787 230 K N -0.178 120.239 120.400 0.028 0.000 2.097 230 K HA -0.124 4.218 4.320 0.038 0.000 0.205 230 K C 2.087 178.702 176.600 0.025 0.000 1.050 230 K CA 1.287 57.589 56.287 0.025 0.000 0.938 230 K CB -0.822 31.694 32.500 0.027 0.000 0.718 230 K HN 0.094 nan 8.250 nan 0.000 0.442 231 E N 0.469 120.688 120.200 0.032 0.000 2.112 231 E HA -0.023 4.350 4.350 0.038 0.000 0.190 231 E C 1.663 178.281 176.600 0.029 0.000 0.979 231 E CA 0.791 57.211 56.400 0.032 0.000 0.814 231 E CB 0.006 29.729 29.700 0.039 0.000 0.762 231 E HN 0.343 nan 8.360 nan 0.000 0.460 232 I N -1.371 119.220 120.570 0.034 0.000 2.353 232 I HA -0.067 4.126 4.170 0.038 0.000 0.248 232 I C 2.342 178.467 176.117 0.014 0.000 1.119 232 I CA 1.045 62.366 61.300 0.035 0.000 1.417 232 I CB -0.958 37.079 38.000 0.061 0.000 1.078 232 I HN 0.043 nan 8.210 nan 0.000 0.421 233 A N 2.541 125.367 122.820 0.011 0.000 1.873 233 A HA -0.238 4.105 4.320 0.038 0.000 0.218 233 A C 2.442 180.020 177.584 -0.009 0.000 1.193 233 A CA 2.248 54.282 52.037 -0.005 0.000 0.629 233 A CB -0.686 18.316 19.000 0.003 0.000 0.826 233 A HN 0.440 nan 8.150 nan 0.000 0.447 234 K N -0.204 120.197 120.400 0.002 0.000 2.015 234 K HA -0.277 4.066 4.320 0.038 0.000 0.216 234 K C 2.346 178.946 176.600 -0.000 0.000 1.052 234 K CA 1.997 58.286 56.287 0.003 0.000 0.937 234 K CB -0.490 32.017 32.500 0.011 0.000 0.719 234 K HN 0.896 nan 8.250 nan 0.000 0.446 235 Q N 0.277 120.079 119.800 0.003 0.000 2.224 235 Q HA -0.010 4.353 4.340 0.038 0.000 0.203 235 Q C 2.029 178.019 176.000 -0.017 0.000 0.970 235 Q CA 1.207 57.009 55.803 -0.002 0.000 0.865 235 Q CB -0.238 28.502 28.738 0.004 0.000 0.922 235 Q HN 0.266 nan 8.270 nan 0.000 0.445 236 A N 1.516 124.318 122.820 -0.030 0.000 2.015 236 A HA 0.118 4.460 4.320 0.038 0.000 0.219 236 A C 2.234 179.774 177.584 -0.073 0.000 1.163 236 A CA 1.337 53.332 52.037 -0.070 0.000 0.646 236 A CB -0.452 18.491 19.000 -0.096 0.000 0.806 236 A HN 0.500 nan 8.150 nan 0.000 0.448 237 A N -0.458 122.337 122.820 -0.041 0.000 2.275 237 A HA 0.480 4.823 4.320 0.038 0.000 0.212 237 A C 1.355 178.951 177.584 0.020 0.000 1.201 237 A CA 0.590 52.617 52.037 -0.017 0.000 0.843 237 A CB -0.736 18.252 19.000 -0.019 0.000 0.873 237 A HN 0.646 nan 8.150 nan 0.000 0.492 238 G N 0.520 109.330 108.800 0.017 0.000 2.606 238 G HA2 0.450 4.433 3.960 0.038 0.000 0.252 238 G HA3 0.450 4.433 3.960 0.038 0.000 0.252 238 G C -2.657 172.266 174.900 0.038 0.000 1.206 238 G CA -0.969 44.143 45.100 0.020 0.000 0.861 238 G HN 0.162 nan 8.290 nan 0.000 0.561 239 P HA 0.144 nan 4.420 nan 0.000 0.269 239 P C -0.047 177.262 177.300 0.014 0.000 1.209 239 P CA -0.225 62.886 63.100 0.019 0.000 0.776 239 P CB 0.638 32.339 31.700 0.001 0.000 0.876 240 L N 4.378 125.600 121.223 -0.002 0.000 2.417 240 L HA 0.297 4.660 4.340 0.038 0.000 0.268 240 L C -1.699 175.154 176.870 -0.029 0.000 1.158 240 L CA -1.896 52.934 54.840 -0.018 0.000 0.819 240 L CB -0.082 41.935 42.059 -0.070 0.000 1.112 240 L HN 0.301 nan 8.230 nan 0.000 0.458 241 P HA 0.025 nan 4.420 nan 0.000 0.265 241 P C -2.198 175.083 177.300 -0.032 0.000 1.187 241 P CA -1.013 62.071 63.100 -0.027 0.000 0.766 241 P CB -0.035 31.652 31.700 -0.022 0.000 0.820 242 P HA -0.177 nan 4.420 nan 0.000 0.216 242 P C 1.544 178.825 177.300 -0.031 0.000 1.153 242 P CA 1.696 64.777 63.100 -0.031 0.000 0.858 242 P CB 0.013 31.698 31.700 -0.025 0.000 0.789 243 K N -0.794 119.592 120.400 -0.023 0.000 2.103 243 K HA -0.160 4.183 4.320 0.038 0.000 0.207 243 K C 1.722 178.308 176.600 -0.023 0.000 1.048 243 K CA 1.280 57.557 56.287 -0.015 0.000 0.930 243 K CB -0.473 32.024 32.500 -0.004 0.000 0.716 243 K HN -0.011 nan 8.250 nan 0.000 0.444 244 L N 0.124 121.328 121.223 -0.031 0.000 2.270 244 L HA 0.073 4.435 4.340 0.038 0.000 0.210 244 L C 2.201 179.015 176.870 -0.094 0.000 1.104 244 L CA 1.364 56.174 54.840 -0.050 0.000 0.804 244 L CB -0.798 41.237 42.059 -0.041 0.000 0.937 244 L HN 0.147 nan 8.230 nan 0.000 0.450 245 A N -1.108 121.657 122.820 -0.091 0.000 1.940 245 A HA -0.287 4.056 4.320 0.038 0.000 0.219 245 A C 2.277 179.801 177.584 -0.100 0.000 1.176 245 A CA 1.834 53.801 52.037 -0.116 0.000 0.631 245 A CB -0.457 18.491 19.000 -0.086 0.000 0.814 245 A HN 0.490 nan 8.150 nan 0.000 0.446 246 Q N -0.913 118.847 119.800 -0.066 0.000 1.967 246 Q HA -0.186 4.176 4.340 0.038 0.000 0.202 246 Q C 2.137 178.105 176.000 -0.054 0.000 0.985 246 Q CA 1.732 57.506 55.803 -0.049 0.000 0.839 246 Q CB -0.342 28.379 28.738 -0.029 0.000 0.906 246 Q HN 0.688 nan 8.270 nan 0.000 0.423 247 L N 1.117 122.310 121.223 -0.052 0.000 2.081 247 L HA -0.216 4.146 4.340 0.038 0.000 0.212 247 L C 1.926 178.753 176.870 -0.072 0.000 1.080 247 L CA 2.067 56.878 54.840 -0.050 0.000 0.754 247 L CB -1.116 40.915 42.059 -0.047 0.000 0.893 247 L HN 0.164 nan 8.230 nan 0.000 0.433 248 K N -0.140 120.192 120.400 -0.113 0.000 2.057 248 K HA -0.103 4.240 4.320 0.038 0.000 0.206 248 K C 2.029 178.564 176.600 -0.108 0.000 1.050 248 K CA 1.396 57.593 56.287 -0.149 0.000 0.935 248 K CB -0.178 32.148 32.500 -0.290 0.000 0.715 248 K HN 0.494 nan 8.250 nan 0.000 0.439 249 A N 1.460 124.223 122.820 -0.096 0.000 1.908 249 A HA -0.198 4.145 4.320 0.038 0.000 0.218 249 A C 1.815 179.377 177.584 -0.036 0.000 1.181 249 A CA 1.796 53.795 52.037 -0.062 0.000 0.627 249 A CB -0.431 18.536 19.000 -0.055 0.000 0.818 249 A HN 0.500 nan 8.150 nan 0.000 0.445 250 E N -0.938 119.245 120.200 -0.028 0.000 2.208 250 E HA -0.021 4.351 4.350 0.038 0.000 0.193 250 E C 0.477 177.079 176.600 0.002 0.000 0.988 250 E CA 0.309 56.706 56.400 -0.006 0.000 0.828 250 E CB 0.015 29.716 29.700 0.003 0.000 0.763 250 E HN 0.324 nan 8.360 nan 0.000 0.478 251 L N 1.554 122.771 121.223 -0.010 0.000 2.728 251 L HA 0.057 4.420 4.340 0.038 0.000 0.235 251 L C 1.626 178.499 176.870 0.005 0.000 1.197 251 L CA 0.697 55.539 54.840 0.003 0.000 0.992 251 L CB -0.445 41.605 42.059 -0.014 0.000 1.263 251 L HN 0.101 nan 8.230 nan 0.000 0.484 252 K N -1.108 119.290 120.400 -0.002 0.000 2.160 252 K HA -0.151 4.192 4.320 0.038 0.000 0.206 252 K C 0.787 177.394 176.600 0.012 0.000 1.047 252 K CA 1.415 57.701 56.287 -0.001 0.000 0.930 252 K CB 0.093 32.589 32.500 -0.006 0.000 0.720 252 K HN 0.203 nan 8.250 nan 0.000 0.450 253 N N 0.806 119.516 118.700 0.017 0.000 2.235 253 N HA 0.130 4.893 4.740 0.038 0.000 0.231 253 N C -1.223 174.305 175.510 0.030 0.000 1.177 253 N CA -0.062 53.000 53.050 0.020 0.000 0.874 253 N CB 1.410 39.904 38.487 0.012 0.000 1.097 253 N HN -0.056 nan 8.380 nan 0.000 0.518 254 V N 1.403 121.342 119.914 0.041 0.000 2.459 254 V HA 0.283 4.426 4.120 0.038 0.000 0.295 254 V C 0.193 176.327 176.094 0.066 0.000 1.029 254 V CA -0.713 61.627 62.300 0.067 0.000 0.874 254 V CB 2.365 34.245 31.823 0.094 0.000 0.985 254 V HN 0.029 nan 8.190 nan 0.000 0.438 255 Q N 3.119 122.966 119.800 0.077 0.000 2.259 255 Q HA 0.375 4.738 4.340 0.038 0.000 0.249 255 Q C -0.576 175.474 176.000 0.084 0.000 0.914 255 Q CA -0.384 55.459 55.803 0.067 0.000 0.904 255 Q CB 1.119 29.884 28.738 0.045 0.000 1.213 255 Q HN 0.619 nan 8.270 nan 0.000 0.428 256 N N 2.762 121.510 118.700 0.080 0.000 2.424 256 N HA 0.371 5.134 4.740 0.038 0.000 0.271 256 N C -0.979 174.601 175.510 0.117 0.000 0.985 256 N CA -0.223 52.886 53.050 0.099 0.000 0.921 256 N CB 1.256 39.796 38.487 0.088 0.000 1.149 256 N HN 0.426 nan 8.380 nan 0.000 0.492 257 I N 2.326 122.967 120.570 0.117 0.000 2.353 257 I HA 0.373 4.565 4.170 0.038 0.000 0.293 257 I C -0.528 175.737 176.117 0.246 0.000 0.992 257 I CA -0.616 60.737 61.300 0.089 0.000 1.268 257 I CB 0.782 38.746 38.000 -0.059 0.000 1.387 257 I HN 0.323 nan 8.210 nan 0.000 0.478 258 F N 4.726 124.704 119.950 0.048 0.000 2.569 258 F HA 0.631 5.164 4.527 0.010 0.000 0.312 258 F C -0.669 175.199 175.800 0.113 0.000 1.109 258 F CA -0.185 57.884 58.000 0.114 0.000 0.919 258 F CB 1.929 41.019 39.000 0.149 0.000 1.211 258 F HN 0.330 nan 8.300 nan 0.000 0.446 259 S N 3.829 119.211 115.700 -0.530 0.000 2.548 259 S HA 0.749 5.241 4.470 0.038 0.000 0.276 259 S C -1.743 172.594 174.600 -0.438 0.000 1.129 259 S CA -0.722 57.315 58.200 -0.272 0.000 0.931 259 S CB 1.953 65.167 63.200 0.024 0.000 1.068 259 S HN 0.678 nan 8.310 nan 0.000 0.480 260 V N 4.200 124.027 119.914 -0.145 0.000 2.733 260 V HA 0.850 4.993 4.120 0.038 0.000 0.306 260 V C -1.856 174.274 176.094 0.059 0.000 1.084 260 V CA -0.247 62.010 62.300 -0.072 0.000 0.905 260 V CB 1.572 33.392 31.823 -0.005 0.000 1.010 260 V HN 1.023 nan 8.190 nan 0.000 0.424 261 E N 5.035 125.269 120.200 0.057 0.000 2.409 261 E HA 0.380 4.753 4.350 0.038 0.000 0.280 261 E C -1.280 175.372 176.600 0.086 0.000 1.079 261 E CA -1.146 55.308 56.400 0.090 0.000 0.840 261 E CB 1.449 31.202 29.700 0.088 0.000 1.309 261 E HN 0.666 nan 8.360 nan 0.000 0.447 262 R N 0.448 121.003 120.500 0.091 0.000 2.638 262 R HA 0.085 4.448 4.340 0.038 0.000 0.268 262 R C 0.321 176.663 176.300 0.070 0.000 1.006 262 R CA -0.055 56.089 56.100 0.072 0.000 1.088 262 R CB 0.264 30.585 30.300 0.036 0.000 0.950 262 R HN 0.420 nan 8.270 nan 0.000 0.419 263 L N 3.719 124.990 121.223 0.080 0.000 2.448 263 L HA 0.053 4.416 4.340 0.038 0.000 0.278 263 L C -0.396 176.538 176.870 0.107 0.000 1.201 263 L CA 0.280 55.173 54.840 0.087 0.000 1.036 263 L CB -0.180 41.944 42.059 0.108 0.000 1.325 263 L HN 0.538 nan 8.230 nan 0.000 0.441 264 D N 1.894 122.316 120.400 0.035 0.000 2.619 264 D HA 0.065 4.728 4.640 0.038 0.000 0.241 264 D C 0.444 176.630 176.300 -0.189 0.000 1.087 264 D CA -0.483 53.465 54.000 -0.088 0.000 0.851 264 D CB 1.489 42.270 40.800 -0.032 0.000 1.474 264 D HN 0.424 nan 8.370 nan 0.000 0.478 265 Y N 1.239 121.437 120.300 -0.171 0.000 2.574 265 Y HA -0.069 4.503 4.550 0.037 0.000 0.294 265 Y C 2.018 177.898 175.900 -0.033 0.000 1.142 265 Y CA 0.827 58.850 58.100 -0.127 0.000 1.314 265 Y CB -0.564 37.784 38.460 -0.188 0.000 0.991 265 Y HN 0.211 nan 8.280 nan 0.000 0.555 266 S N 0.037 115.689 115.700 -0.079 0.000 2.453 266 S HA -0.089 4.403 4.470 0.038 0.000 0.231 266 S C 1.558 176.197 174.600 0.065 0.000 1.005 266 S CA 0.446 58.664 58.200 0.029 0.000 0.949 266 S CB -0.186 62.941 63.200 -0.122 0.000 0.774 266 S HN 0.380 nan 8.310 nan 0.000 0.510 267 K N 1.028 121.453 120.400 0.042 0.000 2.418 267 K HA 0.200 4.542 4.320 0.038 0.000 0.195 267 K C 1.405 178.013 176.600 0.013 0.000 1.035 267 K CA 0.635 56.949 56.287 0.046 0.000 1.003 267 K CB -0.817 31.712 32.500 0.047 0.000 0.793 267 K HN 0.596 nan 8.250 nan 0.000 0.494 268 G N 2.249 111.045 108.800 -0.008 0.000 2.249 268 G HA2 -0.242 3.741 3.960 0.038 0.000 0.273 268 G HA3 -0.242 3.741 3.960 0.038 0.000 0.273 268 G C 0.694 175.556 174.900 -0.065 0.000 1.036 268 G CA 0.116 45.186 45.100 -0.050 0.000 0.824 268 G HN 0.126 nan 8.290 nan 0.000 0.504 269 L N 0.220 121.385 121.223 -0.098 0.000 2.012 269 L HA -0.004 4.358 4.340 0.038 0.000 0.210 269 L C 0.749 177.407 176.870 -0.353 0.000 1.073 269 L CA 2.556 57.273 54.840 -0.204 0.000 0.748 269 L CB -1.844 40.046 42.059 -0.281 0.000 0.891 269 L HN 0.217 nan 8.230 nan 0.000 0.431 270 P HA -0.141 nan 4.420 nan 0.000 0.215 270 P C 1.408 178.687 177.300 -0.034 0.000 1.153 270 P CA 1.089 64.057 63.100 -0.220 0.000 0.853 270 P CB 0.124 31.745 31.700 -0.131 0.000 0.788 271 E N -1.000 119.180 120.200 -0.033 0.000 2.153 271 E HA -0.164 4.209 4.350 0.038 0.000 0.194 271 E C 2.112 178.748 176.600 0.060 0.000 0.988 271 E CA 0.918 57.319 56.400 0.002 0.000 0.811 271 E CB -0.504 29.151 29.700 -0.076 0.000 0.746 271 E HN 0.067 nan 8.360 nan 0.000 0.466 272 R N -0.661 119.888 120.500 0.082 0.000 2.075 272 R HA -0.072 4.291 4.340 0.038 0.000 0.232 272 R C 1.664 178.184 176.300 0.367 0.000 1.126 272 R CA 1.027 57.226 56.100 0.166 0.000 0.963 272 R CB -0.242 30.183 30.300 0.208 0.000 0.858 272 R HN 0.111 nan 8.270 nan 0.000 0.435 273 F N -0.013 120.023 119.950 0.143 0.000 2.171 273 F HA -0.145 4.448 4.527 0.109 0.000 0.300 273 F C 1.861 177.764 175.800 0.172 0.000 1.090 273 F CA 0.802 58.929 58.000 0.212 0.000 1.293 273 F CB -0.588 38.482 39.000 0.117 0.000 1.013 273 F HN 0.054 nan 8.300 nan 0.000 0.486 274 L N -0.361 121.040 121.223 0.296 0.000 2.156 274 L HA -0.049 4.313 4.340 0.038 0.000 0.208 274 L C 2.524 179.479 176.870 0.142 0.000 1.095 274 L CA 1.591 56.542 54.840 0.184 0.000 0.770 274 L CB -1.644 40.493 42.059 0.131 0.000 0.914 274 L HN 0.081 nan 8.230 nan 0.000 0.439 275 A N -1.796 121.106 122.820 0.136 0.000 1.898 275 A HA -0.264 4.078 4.320 0.038 0.000 0.216 275 A C 2.280 179.924 177.584 0.101 0.000 1.181 275 A CA 1.316 53.407 52.037 0.091 0.000 0.620 275 A CB -0.883 18.147 19.000 0.049 0.000 0.819 275 A HN 0.430 nan 8.150 nan 0.000 0.442 276 Y N 0.753 121.041 120.300 -0.020 0.000 2.145 276 Y HA -0.219 4.441 4.550 0.184 0.000 0.286 276 Y C 2.354 178.230 175.900 -0.039 0.000 1.145 276 Y CA 2.072 60.140 58.100 -0.053 0.000 1.148 276 Y CB -0.523 37.927 38.460 -0.018 0.000 0.981 276 Y HN 0.565 nan 8.280 nan 0.000 0.507 277 E N -0.095 120.080 120.200 -0.042 0.000 2.070 277 E HA -0.278 4.095 4.350 0.038 0.000 0.197 277 E C 2.220 178.726 176.600 -0.157 0.000 1.004 277 E CA 1.473 57.766 56.400 -0.178 0.000 0.805 277 E CB -0.399 29.333 29.700 0.053 0.000 0.744 277 E HN 0.515 nan 8.360 nan 0.000 0.451 278 A N 0.862 123.675 122.820 -0.012 0.000 1.972 278 A HA -0.144 4.199 4.320 0.038 0.000 0.219 278 A C 2.137 179.776 177.584 0.091 0.000 1.169 278 A CA 1.274 53.342 52.037 0.051 0.000 0.635 278 A CB -0.600 18.455 19.000 0.090 0.000 0.810 278 A HN 0.413 nan 8.150 nan 0.000 0.446 279 L N -1.024 120.217 121.223 0.030 0.000 2.046 279 L HA -0.086 4.276 4.340 0.038 0.000 0.208 279 L C 2.038 178.977 176.870 0.115 0.000 1.077 279 L CA 1.591 56.490 54.840 0.098 0.000 0.747 279 L CB -0.411 41.614 42.059 -0.057 0.000 0.896 279 L HN 0.246 nan 8.230 nan 0.000 0.432 280 L N -0.604 120.510 121.223 -0.183 0.000 2.156 280 L HA -0.063 4.299 4.340 0.038 0.000 0.208 280 L C 2.567 179.459 176.870 0.038 0.000 1.095 280 L CA 1.311 56.056 54.840 -0.160 0.000 0.770 280 L CB -1.202 40.381 42.059 -0.793 0.000 0.914 280 L HN 0.319 nan 8.230 nan 0.000 0.439 281 E N 0.200 120.376 120.200 -0.041 0.000 2.047 281 E HA -0.162 4.211 4.350 0.038 0.000 0.191 281 E C 1.930 178.571 176.600 0.069 0.000 0.987 281 E CA 1.153 57.625 56.400 0.120 0.000 0.799 281 E CB 0.165 29.939 29.700 0.123 0.000 0.752 281 E HN 0.434 nan 8.360 nan 0.000 0.449 282 K N -1.009 119.414 120.400 0.039 0.000 2.361 282 K HA 0.050 4.393 4.320 0.038 0.000 0.194 282 K C -0.022 176.324 176.600 -0.423 0.000 1.032 282 K CA 0.091 56.267 56.287 -0.183 0.000 1.048 282 K CB 0.486 32.825 32.500 -0.268 0.000 0.842 282 K HN 0.064 nan 8.250 nan 0.000 0.526 283 Y N 0.860 121.141 120.300 -0.031 0.000 2.562 283 Y HA 0.200 4.775 4.550 0.042 0.000 0.363 283 Y C -1.938 173.841 175.900 -0.202 0.000 0.991 283 Y CA -2.198 55.850 58.100 -0.086 0.000 1.121 283 Y CB 0.880 39.364 38.460 0.039 0.000 1.159 283 Y HN -0.031 nan 8.280 nan 0.000 0.651 284 P HA -0.199 nan 4.420 nan 0.000 0.226 284 P C 0.335 177.321 177.300 -0.523 0.000 1.146 284 P CA 1.305 64.028 63.100 -0.629 0.000 0.773 284 P CB 0.352 31.802 31.700 -0.418 0.000 0.772 285 Q N -1.332 118.266 119.800 -0.336 0.000 2.369 285 Q HA -0.122 4.241 4.340 0.038 0.000 0.206 285 Q C 1.700 177.550 176.000 -0.250 0.000 0.963 285 Q CA 0.996 56.623 55.803 -0.294 0.000 0.894 285 Q CB -0.809 27.741 28.738 -0.313 0.000 0.965 285 Q HN 0.459 nan 8.270 nan 0.000 0.475 286 H N 0.070 119.117 119.070 -0.039 0.000 2.551 286 H HA 0.102 4.687 4.556 0.048 0.000 0.266 286 H C -0.072 175.258 175.328 0.003 0.000 0.964 286 H CA 0.094 56.155 56.048 0.021 0.000 1.180 286 H CB -0.135 29.682 29.762 0.093 0.000 1.408 286 H HN 0.444 nan 8.280 nan 0.000 0.563 287 H N 0.333 119.336 119.070 -0.111 0.000 3.157 287 H HA 0.060 4.639 4.556 0.039 0.000 0.299 287 H C 1.262 176.043 175.328 -0.912 0.000 0.961 287 H CA 0.414 56.157 56.048 -0.509 0.000 1.428 287 H CB 0.480 30.103 29.762 -0.232 0.000 1.459 287 H HN 0.545 nan 8.280 nan 0.000 0.566 288 G N 3.078 110.681 108.800 -1.995 0.000 2.179 288 G HA2 -0.339 3.643 3.960 0.038 0.000 0.260 288 G HA3 -0.339 3.643 3.960 0.038 0.000 0.260 288 G C 0.948 175.441 174.900 -0.680 0.000 0.977 288 G CA 0.590 44.715 45.100 -1.624 0.000 0.641 288 G HN 0.625 nan 8.290 nan 0.000 0.533 289 K N -0.321 119.865 120.400 -0.357 0.000 2.402 289 K HA 0.473 4.816 4.320 0.038 0.000 0.204 289 K C 0.890 177.544 176.600 0.090 0.000 1.056 289 K CA 0.595 56.846 56.287 -0.061 0.000 1.069 289 K CB 0.753 33.247 32.500 -0.010 0.000 0.888 289 K HN 0.722 nan 8.250 nan 0.000 0.546 290 I N -2.676 118.026 120.570 0.219 0.000 3.174 290 I HA 0.600 4.793 4.170 0.038 0.000 0.313 290 I C -1.476 174.965 176.117 0.540 0.000 1.155 290 I CA -1.416 60.072 61.300 0.313 0.000 0.977 290 I CB 2.357 40.505 38.000 0.247 0.000 1.248 290 I HN -0.244 nan 8.210 nan 0.000 0.453 291 R N 2.238 122.954 120.500 0.360 0.000 2.566 291 R HA 0.436 4.799 4.340 0.038 0.000 0.271 291 R C -2.351 174.034 176.300 0.142 0.000 1.071 291 R CA -0.587 55.680 56.100 0.277 0.000 0.915 291 R CB 1.758 32.136 30.300 0.129 0.000 1.228 291 R HN 0.722 nan 8.270 nan 0.000 0.449 292 Y N 2.843 123.019 120.300 -0.207 0.000 2.328 292 Y HA 0.519 5.001 4.550 -0.112 0.000 0.333 292 Y C -1.355 174.397 175.900 -0.247 0.000 0.958 292 Y CA -0.702 57.137 58.100 -0.436 0.000 1.167 292 Y CB 1.833 39.552 38.460 -1.235 0.000 1.151 292 Y HN 0.555 nan 8.280 nan 0.000 0.470 293 T N 6.761 121.262 114.554 -0.089 0.000 2.771 293 T HA 0.323 4.696 4.350 0.038 0.000 0.281 293 T C -0.989 173.481 174.700 -0.383 0.000 0.982 293 T CA -0.519 61.467 62.100 -0.190 0.000 0.978 293 T CB 1.099 70.005 68.868 0.064 0.000 0.930 293 T HN 0.579 nan 8.240 nan 0.000 0.447 294 Q N 3.497 123.047 119.800 -0.418 0.000 2.341 294 Q HA 0.529 4.892 4.340 0.038 0.000 0.268 294 Q C -1.356 174.550 176.000 -0.157 0.000 1.013 294 Q CA -0.407 55.241 55.803 -0.258 0.000 0.798 294 Q CB 0.578 29.285 28.738 -0.053 0.000 1.253 294 Q HN 0.654 nan 8.270 nan 0.000 0.457 295 I N 2.978 123.387 120.570 -0.269 0.000 2.336 295 I HA 0.704 4.897 4.170 0.038 0.000 0.292 295 I C -0.451 175.647 176.117 -0.033 0.000 0.991 295 I CA -0.876 60.321 61.300 -0.172 0.000 1.227 295 I CB 1.637 39.455 38.000 -0.303 0.000 1.366 295 I HN 0.779 nan 8.210 nan 0.000 0.466 296 A N 8.777 131.614 122.820 0.028 0.000 3.007 296 A HA 0.505 4.848 4.320 0.038 0.000 0.314 296 A C -2.727 174.906 177.584 0.081 0.000 1.153 296 A CA -1.186 50.904 52.037 0.090 0.000 0.780 296 A CB 0.337 19.454 19.000 0.196 0.000 1.258 296 A HN 0.356 nan 8.150 nan 0.000 0.460 297 P HA 0.129 nan 4.420 nan 0.000 0.268 297 P C 0.238 177.582 177.300 0.074 0.000 1.205 297 P CA 0.576 63.737 63.100 0.101 0.000 0.771 297 P CB 0.547 32.349 31.700 0.169 0.000 0.858 298 T N 2.024 116.609 114.554 0.052 0.000 2.908 298 T HA 0.132 4.505 4.350 0.038 0.000 0.301 298 T C 0.556 175.253 174.700 -0.005 0.000 1.019 298 T CA 0.792 62.912 62.100 0.032 0.000 1.152 298 T CB -0.214 68.664 68.868 0.017 0.000 0.966 298 T HN 0.386 nan 8.240 nan 0.000 0.540 299 S N 2.767 118.441 115.700 -0.043 0.000 2.532 299 S HA 0.463 4.956 4.470 0.038 0.000 0.299 299 S C -0.017 174.354 174.600 -0.381 0.000 1.105 299 S CA -0.887 57.215 58.200 -0.162 0.000 1.018 299 S CB 0.445 63.547 63.200 -0.163 0.000 1.021 299 S HN 0.772 nan 8.310 nan 0.000 0.483 300 R N 2.189 122.468 120.500 -0.369 0.000 3.422 300 R HA -0.152 4.210 4.340 0.038 0.000 0.267 300 R C 1.091 177.180 176.300 -0.352 0.000 1.074 300 R CA 0.643 56.440 56.100 -0.505 0.000 0.718 300 R CB -2.042 27.574 30.300 -1.140 0.000 1.157 300 R HN 0.812 nan 8.270 nan 0.000 0.440 301 G N -0.137 108.579 108.800 -0.141 0.000 2.625 301 G HA2 -0.192 3.791 3.960 0.038 0.000 0.214 301 G HA3 -0.192 3.791 3.960 0.038 0.000 0.214 301 G C 0.843 175.744 174.900 0.003 0.000 1.132 301 G CA 0.530 45.608 45.100 -0.038 0.000 0.782 301 G HN 0.322 nan 8.290 nan 0.000 0.538 302 D N -0.145 120.251 120.400 -0.007 0.000 2.323 302 D HA 0.034 4.697 4.640 0.038 0.000 0.209 302 D C 0.972 177.297 176.300 0.041 0.000 0.973 302 D CA 0.186 54.202 54.000 0.026 0.000 0.874 302 D CB 0.542 41.364 40.800 0.036 0.000 0.930 302 D HN 0.079 nan 8.370 nan 0.000 0.521 303 V N 1.963 121.905 119.914 0.047 0.000 2.498 303 V HA -0.002 4.140 4.120 0.038 0.000 0.279 303 V C 1.466 177.663 176.094 0.171 0.000 1.048 303 V CA -0.251 62.120 62.300 0.119 0.000 0.967 303 V CB 1.726 33.654 31.823 0.175 0.000 0.988 303 V HN -0.108 nan 8.190 nan 0.000 0.473 304 Q N 5.500 125.370 119.800 0.116 0.000 2.077 304 Q HA -0.224 4.139 4.340 0.038 0.000 0.206 304 Q C 2.087 178.139 176.000 0.088 0.000 0.989 304 Q CA 2.605 58.462 55.803 0.090 0.000 0.853 304 Q CB -0.412 28.360 28.738 0.057 0.000 0.907 304 Q HN 0.929 nan 8.270 nan 0.000 0.418 305 A N -1.026 121.843 122.820 0.081 0.000 1.978 305 A HA -0.182 4.161 4.320 0.038 0.000 0.220 305 A C 1.795 179.379 177.584 0.002 0.000 1.170 305 A CA 1.533 53.556 52.037 -0.023 0.000 0.636 305 A CB -0.869 18.045 19.000 -0.143 0.000 0.810 305 A HN 0.581 nan 8.150 nan 0.000 0.448 306 Y N -0.176 120.191 120.300 0.112 0.000 2.263 306 Y HA -0.161 4.410 4.550 0.036 0.000 0.292 306 Y C 2.723 178.608 175.900 -0.025 0.000 1.130 306 Y CA 1.681 59.819 58.100 0.064 0.000 1.179 306 Y CB -0.405 38.052 38.460 -0.004 0.000 0.998 306 Y HN 0.400 nan 8.280 nan 0.000 0.532 307 Q N 0.035 119.888 119.800 0.088 0.000 2.084 307 Q HA -0.200 4.163 4.340 0.038 0.000 0.202 307 Q C 1.607 177.511 176.000 -0.159 0.000 0.978 307 Q CA 1.621 57.368 55.803 -0.094 0.000 0.844 307 Q CB -0.165 28.568 28.738 -0.009 0.000 0.898 307 Q HN 0.432 nan 8.270 nan 0.000 0.426 308 D N 0.630 121.029 120.400 -0.002 0.000 2.104 308 D HA -0.165 4.497 4.640 0.038 0.000 0.194 308 D C 1.756 178.054 176.300 -0.004 0.000 0.994 308 D CA 0.908 54.931 54.000 0.038 0.000 0.830 308 D CB -0.184 40.625 40.800 0.015 0.000 0.959 308 D HN 0.163 nan 8.370 nan 0.000 0.452 309 I N 0.486 121.037 120.570 -0.031 0.000 2.394 309 I HA -0.161 4.031 4.170 0.038 0.000 0.251 309 I C 2.251 178.332 176.117 -0.060 0.000 1.136 309 I CA 1.000 62.277 61.300 -0.038 0.000 1.425 309 I CB 0.007 37.999 38.000 -0.014 0.000 1.079 309 I HN -0.163 nan 8.210 nan 0.000 0.425 310 R N -0.704 119.748 120.500 -0.080 0.000 2.075 310 R HA -0.187 4.176 4.340 0.038 0.000 0.232 310 R C 2.353 178.615 176.300 -0.063 0.000 1.126 310 R CA 1.449 57.499 56.100 -0.083 0.000 0.963 310 R CB -0.355 29.865 30.300 -0.133 0.000 0.858 310 R HN 0.430 nan 8.270 nan 0.000 0.435 311 H N 0.207 119.290 119.070 0.022 0.000 2.421 311 H HA -0.140 4.438 4.556 0.037 0.000 0.298 311 H C 1.866 177.183 175.328 -0.018 0.000 1.087 311 H CA 1.671 57.727 56.048 0.013 0.000 1.330 311 H CB -0.133 29.640 29.762 0.017 0.000 1.388 311 H HN 0.460 nan 8.280 nan 0.000 0.526 312 Q N 0.183 120.025 119.800 0.070 0.000 2.083 312 Q HA -0.103 4.260 4.340 0.038 0.000 0.198 312 Q C 2.157 178.114 176.000 -0.072 0.000 0.969 312 Q CA 0.709 56.514 55.803 0.003 0.000 0.838 312 Q CB -0.001 28.725 28.738 -0.020 0.000 0.900 312 Q HN 0.210 nan 8.270 nan 0.000 0.436 313 L N 1.368 122.496 121.223 -0.158 0.000 2.046 313 L HA -0.155 4.207 4.340 0.038 0.000 0.208 313 L C 1.921 178.611 176.870 -0.300 0.000 1.077 313 L CA 1.882 56.507 54.840 -0.358 0.000 0.747 313 L CB -0.380 41.383 42.059 -0.492 0.000 0.896 313 L HN 0.254 nan 8.230 nan 0.000 0.432 314 E N -0.904 119.209 120.200 -0.146 0.000 2.085 314 E HA -0.259 4.113 4.350 0.038 0.000 0.194 314 E C 2.024 178.631 176.600 0.011 0.000 0.994 314 E CA 1.262 57.648 56.400 -0.023 0.000 0.801 314 E CB -0.278 29.499 29.700 0.129 0.000 0.743 314 E HN 0.514 nan 8.360 nan 0.000 0.453 315 N N 0.648 119.361 118.700 0.022 0.000 2.084 315 N HA -0.196 4.566 4.740 0.038 0.000 0.190 315 N C 1.596 177.137 175.510 0.051 0.000 1.030 315 N CA 1.035 54.106 53.050 0.035 0.000 0.849 315 N CB 0.153 38.660 38.487 0.032 0.000 1.012 315 N HN 0.135 nan 8.380 nan 0.000 0.423 316 E N 0.854 121.095 120.200 0.068 0.000 2.110 316 E HA -0.114 4.258 4.350 0.038 0.000 0.193 316 E C 1.947 178.664 176.600 0.195 0.000 0.988 316 E CA 0.818 57.317 56.400 0.165 0.000 0.804 316 E CB -0.360 29.490 29.700 0.250 0.000 0.745 316 E HN 0.453 nan 8.360 nan 0.000 0.458 317 A N 1.319 124.240 122.820 0.168 0.000 1.865 317 A HA -0.111 4.231 4.320 0.038 0.000 0.217 317 A C 2.533 180.126 177.584 0.015 0.000 1.191 317 A CA 2.073 54.136 52.037 0.042 0.000 0.623 317 A CB -1.197 17.821 19.000 0.031 0.000 0.826 317 A HN 0.346 nan 8.150 nan 0.000 0.444 318 G N -0.842 107.978 108.800 0.034 0.000 2.418 318 G HA2 -0.258 3.725 3.960 0.038 0.000 0.217 318 G HA3 -0.258 3.725 3.960 0.038 0.000 0.217 318 G C 1.760 176.670 174.900 0.016 0.000 1.158 318 G CA 1.086 46.198 45.100 0.019 0.000 0.771 318 G HN 0.569 nan 8.290 nan 0.000 0.545 319 R N -0.071 120.451 120.500 0.038 0.000 2.075 319 R HA 0.097 4.460 4.340 0.038 0.000 0.232 319 R C 2.511 178.842 176.300 0.052 0.000 1.126 319 R CA 0.988 57.112 56.100 0.040 0.000 0.963 319 R CB -0.273 30.061 30.300 0.057 0.000 0.858 319 R HN 0.418 nan 8.270 nan 0.000 0.435 320 I N 1.157 121.776 120.570 0.081 0.000 2.233 320 I HA -0.240 3.952 4.170 0.038 0.000 0.243 320 I C 1.722 177.903 176.117 0.108 0.000 1.093 320 I CA 0.900 62.287 61.300 0.145 0.000 1.380 320 I CB -0.351 37.723 38.000 0.122 0.000 1.067 320 I HN 0.213 nan 8.210 nan 0.000 0.413 321 N N 1.187 119.889 118.700 0.003 0.000 2.223 321 N HA -0.123 4.639 4.740 0.038 0.000 0.185 321 N C 1.878 177.363 175.510 -0.042 0.000 1.016 321 N CA 1.552 54.568 53.050 -0.057 0.000 0.863 321 N CB -0.628 37.792 38.487 -0.112 0.000 0.983 321 N HN 0.417 nan 8.380 nan 0.000 0.429 322 G N 0.619 109.402 108.800 -0.029 0.000 2.432 322 G HA2 -0.241 3.742 3.960 0.038 0.000 0.219 322 G HA3 -0.241 3.742 3.960 0.038 0.000 0.219 322 G C 1.625 176.483 174.900 -0.070 0.000 1.135 322 G CA 0.757 45.834 45.100 -0.039 0.000 0.767 322 G HN 0.344 nan 8.290 nan 0.000 0.550 323 K N -1.269 119.069 120.400 -0.103 0.000 2.244 323 K HA 0.160 4.503 4.320 0.038 0.000 0.200 323 K C 1.444 177.793 176.600 -0.418 0.000 1.052 323 K CA 0.186 56.307 56.287 -0.276 0.000 0.980 323 K CB 0.113 32.392 32.500 -0.370 0.000 0.838 323 K HN 0.360 nan 8.250 nan 0.000 0.481 324 Y N 0.077 120.346 120.300 -0.052 0.000 2.445 324 Y HA 0.323 4.902 4.550 0.049 0.000 0.247 324 Y C 1.071 176.933 175.900 -0.063 0.000 1.129 324 Y CA -0.308 57.751 58.100 -0.068 0.000 1.251 324 Y CB 0.656 39.039 38.460 -0.128 0.000 1.176 324 Y HN 0.027 nan 8.280 nan 0.000 0.522 325 G N 0.544 109.351 108.800 0.012 0.000 2.667 325 G HA2 0.422 4.405 3.960 0.038 0.000 0.250 325 G HA3 0.422 4.405 3.960 0.038 0.000 0.250 325 G C -0.404 174.559 174.900 0.106 0.000 1.212 325 G CA -0.252 44.833 45.100 -0.025 0.000 0.874 325 G HN 0.223 nan 8.290 nan 0.000 0.561 326 Q N -0.886 119.019 119.800 0.175 0.000 2.587 326 Q HA 0.361 4.723 4.340 0.038 0.000 0.293 326 Q C 1.287 177.369 176.000 0.137 0.000 1.083 326 Q CA -1.023 54.889 55.803 0.182 0.000 0.792 326 Q CB 2.006 30.907 28.738 0.272 0.000 1.484 326 Q HN 0.337 nan 8.270 nan 0.000 0.446 327 L N -0.064 121.225 121.223 0.110 0.000 2.127 327 L HA -0.090 4.273 4.340 0.038 0.000 0.211 327 L C 1.257 178.190 176.870 0.105 0.000 1.089 327 L CA 1.589 56.479 54.840 0.084 0.000 0.757 327 L CB -0.149 41.950 42.059 0.066 0.000 0.899 327 L HN 0.846 nan 8.230 nan 0.000 0.434 328 G N -2.497 106.395 108.800 0.155 0.000 4.144 328 G HA2 0.186 4.169 3.960 0.038 0.000 0.297 328 G HA3 0.186 4.169 3.960 0.038 0.000 0.297 328 G C -1.273 173.814 174.900 0.311 0.000 1.090 328 G CA -0.218 44.990 45.100 0.181 0.000 0.870 328 G HN 0.190 nan 8.290 nan 0.000 0.532 329 W N 1.288 122.633 121.300 0.076 0.000 3.473 329 W HA 0.483 5.168 4.660 0.043 0.000 0.324 329 W C -1.159 175.423 176.519 0.105 0.000 1.099 329 W CA -0.844 56.563 57.345 0.104 0.000 1.277 329 W CB 0.963 30.480 29.460 0.096 0.000 1.216 329 W HN -0.073 nan 8.180 nan 0.000 0.423 330 T N 8.479 122.843 114.554 -0.316 0.000 2.753 330 T HA 0.205 4.577 4.350 0.038 0.000 0.297 330 T C -1.574 172.669 174.700 -0.760 0.000 0.981 330 T CA -1.017 60.810 62.100 -0.455 0.000 0.956 330 T CB 1.532 70.202 68.868 -0.331 0.000 0.936 330 T HN 0.204 nan 8.240 nan 0.000 0.463 331 P HA 0.019 nan 4.420 nan 0.000 0.218 331 P C 0.186 177.432 177.300 -0.090 0.000 1.149 331 P CA 0.638 63.234 63.100 -0.840 0.000 0.817 331 P CB 0.533 31.840 31.700 -0.654 0.000 0.785 332 L N -1.215 119.932 121.223 -0.126 0.000 2.406 332 L HA 0.431 4.794 4.340 0.038 0.000 0.272 332 L C -1.403 175.370 176.870 -0.163 0.000 0.980 332 L CA -1.060 53.668 54.840 -0.187 0.000 0.831 332 L CB 1.562 43.446 42.059 -0.291 0.000 1.253 332 L HN -0.263 nan 8.230 nan 0.000 0.406 333 Y N 4.650 124.757 120.300 -0.321 0.000 2.478 333 Y HA 0.277 4.798 4.550 -0.048 0.000 0.329 333 Y C -0.704 175.097 175.900 -0.166 0.000 0.967 333 Y CA -0.463 57.529 58.100 -0.179 0.000 1.255 333 Y CB 1.040 39.427 38.460 -0.122 0.000 1.103 333 Y HN 0.422 nan 8.280 nan 0.000 0.497 334 Y N 4.857 125.076 120.300 -0.135 0.000 2.335 334 Y HA 0.652 5.213 4.550 0.018 0.000 0.339 334 Y C -1.531 174.375 175.900 0.011 0.000 0.987 334 Y CA -1.518 56.547 58.100 -0.058 0.000 1.140 334 Y CB 0.603 39.078 38.460 0.024 0.000 1.173 334 Y HN 0.461 nan 8.280 nan 0.000 0.486 335 L N 7.334 128.310 121.223 -0.412 0.000 2.342 335 L HA 0.339 4.702 4.340 0.038 0.000 0.276 335 L C 0.113 176.722 176.870 -0.434 0.000 0.997 335 L CA -0.465 54.164 54.840 -0.351 0.000 0.838 335 L CB 1.562 43.618 42.059 -0.006 0.000 1.224 335 L HN 0.730 nan 8.230 nan 0.000 0.416 336 N N 4.047 122.423 118.700 -0.540 0.000 3.303 336 N HA 0.153 4.916 4.740 0.038 0.000 0.304 336 N C -0.808 174.659 175.510 -0.072 0.000 1.302 336 N CA -0.142 52.739 53.050 -0.282 0.000 1.213 336 N CB 0.388 38.732 38.487 -0.239 0.000 1.481 336 N HN 0.675 nan 8.380 nan 0.000 0.546 337 Q N 0.329 120.142 119.800 0.022 0.000 2.418 337 Q HA 0.145 4.507 4.340 0.038 0.000 0.282 337 Q C -1.430 174.683 176.000 0.188 0.000 1.044 337 Q CA -0.871 54.980 55.803 0.079 0.000 0.813 337 Q CB 1.870 30.637 28.738 0.047 0.000 1.428 337 Q HN 0.410 nan 8.270 nan 0.000 0.402 338 H N 0.650 119.739 119.070 0.033 0.000 2.548 338 H HA 0.478 5.059 4.556 0.041 0.000 0.331 338 H C -1.549 173.791 175.328 0.021 0.000 1.093 338 H CA -0.052 56.040 56.048 0.074 0.000 1.367 338 H CB 0.457 30.222 29.762 0.004 0.000 1.455 338 H HN 0.352 nan 8.280 nan 0.000 0.519 339 F N 2.780 122.336 119.950 -0.657 0.000 2.495 339 F HA 0.164 4.722 4.527 0.052 0.000 0.327 339 F C 0.072 175.531 175.800 -0.569 0.000 1.103 339 F CA -0.981 56.759 58.000 -0.434 0.000 0.949 339 F CB 1.276 40.151 39.000 -0.209 0.000 1.142 339 F HN 0.636 nan 8.300 nan 0.000 0.457 340 D N 2.335 122.653 120.400 -0.137 0.000 2.488 340 D HA -0.011 4.652 4.640 0.038 0.000 0.238 340 D C 1.370 177.658 176.300 -0.020 0.000 1.138 340 D CA 0.434 54.415 54.000 -0.030 0.000 0.873 340 D CB 0.837 41.610 40.800 -0.045 0.000 1.183 340 D HN 0.615 nan 8.370 nan 0.000 0.458 341 R N 3.144 123.652 120.500 0.013 0.000 2.081 341 R HA -0.126 4.236 4.340 0.038 0.000 0.235 341 R C 1.906 178.193 176.300 -0.022 0.000 1.131 341 R CA 1.112 57.217 56.100 0.007 0.000 0.960 341 R CB 0.073 30.407 30.300 0.057 0.000 0.856 341 R HN 0.465 nan 8.270 nan 0.000 0.436 342 K N 0.270 120.665 120.400 -0.008 0.000 2.034 342 K HA -0.226 4.117 4.320 0.038 0.000 0.214 342 K C 2.038 178.609 176.600 -0.048 0.000 1.051 342 K CA 1.786 58.061 56.287 -0.020 0.000 0.931 342 K CB -0.319 32.171 32.500 -0.016 0.000 0.715 342 K HN 0.122 nan 8.250 nan 0.000 0.446 343 L N 1.673 122.869 121.223 -0.045 0.000 2.083 343 L HA -0.059 4.304 4.340 0.038 0.000 0.209 343 L C 1.034 177.822 176.870 -0.136 0.000 1.083 343 L CA 1.249 56.061 54.840 -0.046 0.000 0.752 343 L CB -0.337 41.735 42.059 0.021 0.000 0.899 343 L HN 0.095 nan 8.230 nan 0.000 0.433 347 I N 1.384 121.802 120.570 -0.254 0.000 2.252 347 I HA -0.200 3.993 4.170 0.038 0.000 0.245 347 I C 1.839 177.768 176.117 -0.314 0.000 1.102 347 I CA 1.421 62.497 61.300 -0.372 0.000 1.385 347 I CB -0.163 37.388 38.000 -0.748 0.000 1.064 347 I HN 0.020 nan 8.210 nan 0.000 0.414 348 F N 1.022 120.796 119.950 -0.294 0.000 2.091 348 F HA -0.244 4.299 4.527 0.027 0.000 0.299 348 F C 2.711 178.322 175.800 -0.316 0.000 1.103 348 F CA 1.472 59.378 58.000 -0.157 0.000 1.228 348 F CB -1.150 37.797 39.000 -0.089 0.000 0.984 348 F HN -0.013 nan 8.300 nan 0.000 0.477 349 R N -0.798 119.569 120.500 -0.221 0.000 2.117 349 R HA -0.216 4.146 4.340 0.038 0.000 0.243 349 R C 1.800 177.731 176.300 -0.616 0.000 1.143 349 R CA 1.765 57.557 56.100 -0.513 0.000 0.968 349 R CB -0.535 29.339 30.300 -0.710 0.000 0.863 349 R HN 0.347 nan 8.270 nan 0.000 0.444 350 Y N -0.391 119.854 120.300 -0.091 0.000 2.466 350 Y HA 0.235 4.804 4.550 0.031 0.000 0.272 350 Y C 0.456 176.331 175.900 -0.042 0.000 1.169 350 Y CA -0.570 57.484 58.100 -0.076 0.000 1.285 350 Y CB 0.647 39.048 38.460 -0.097 0.000 1.078 350 Y HN -0.084 nan 8.280 nan 0.000 0.523 351 S N 0.952 116.705 115.700 0.088 0.000 2.565 351 S HA 0.002 4.495 4.470 0.038 0.000 0.274 351 S C 0.628 175.345 174.600 0.194 0.000 1.309 351 S CA -0.591 57.709 58.200 0.167 0.000 1.043 351 S CB 0.741 64.136 63.200 0.326 0.000 0.939 351 S HN 0.361 nan 8.310 nan 0.000 0.504 352 D N 0.988 121.476 120.400 0.146 0.000 2.194 352 D HA 0.017 4.680 4.640 0.038 0.000 0.204 352 D C 0.038 176.415 176.300 0.127 0.000 0.964 352 D CA 1.061 55.130 54.000 0.115 0.000 0.846 352 D CB 0.319 41.159 40.800 0.066 0.000 0.962 352 D HN 0.213 nan 8.370 nan 0.000 0.490 353 V N 0.598 120.566 119.914 0.091 0.000 2.577 353 V HA 0.476 4.619 4.120 0.038 0.000 0.303 353 V C 0.221 176.194 176.094 -0.202 0.000 1.042 353 V CA -1.098 61.174 62.300 -0.045 0.000 0.872 353 V CB 1.953 33.729 31.823 -0.077 0.000 0.998 353 V HN 0.024 nan 8.190 nan 0.000 0.423 354 G N 4.030 112.390 108.800 -0.733 0.000 2.320 354 G HA2 0.563 4.545 3.960 0.038 0.000 0.300 354 G HA3 0.563 4.545 3.960 0.038 0.000 0.300 354 G C -0.766 173.855 174.900 -0.465 0.000 1.126 354 G CA -0.363 44.180 45.100 -0.928 0.000 0.896 354 G HN 0.623 nan 8.290 nan 0.000 0.436 355 L N 3.790 124.850 121.223 -0.271 0.000 2.262 355 L HA 0.446 4.808 4.340 0.038 0.000 0.288 355 L C -0.692 176.090 176.870 -0.147 0.000 1.035 355 L CA -0.646 54.069 54.840 -0.208 0.000 0.820 355 L CB 1.482 43.399 42.059 -0.237 0.000 1.204 355 L HN 0.205 nan 8.230 nan 0.000 0.424 356 V N 3.000 122.837 119.914 -0.128 0.000 2.380 356 V HA 0.203 4.346 4.120 0.038 0.000 0.268 356 V C 0.299 176.370 176.094 -0.040 0.000 1.008 356 V CA -0.382 61.877 62.300 -0.068 0.000 0.823 356 V CB 1.250 33.031 31.823 -0.070 0.000 1.053 356 V HN 0.817 nan 8.190 nan 0.000 0.446 357 T N 1.406 115.946 114.554 -0.023 0.000 3.438 357 T HA 0.360 4.733 4.350 0.038 0.000 0.244 357 T C -2.245 172.465 174.700 0.018 0.000 1.269 357 T CA -1.742 60.351 62.100 -0.011 0.000 1.371 357 T CB 0.675 69.522 68.868 -0.036 0.000 1.002 357 T HN 0.386 nan 8.240 nan 0.000 0.637 358 P HA 0.121 nan 4.420 nan 0.000 0.268 358 P C 0.625 177.985 177.300 0.100 0.000 1.208 358 P CA -0.542 62.604 63.100 0.076 0.000 0.777 358 P CB 1.008 32.777 31.700 0.115 0.000 0.875 359 L N 1.286 122.540 121.223 0.052 0.000 2.156 359 L HA 0.084 4.446 4.340 0.038 0.000 0.208 359 L C 1.387 178.301 176.870 0.073 0.000 1.095 359 L CA 1.549 56.394 54.840 0.007 0.000 0.770 359 L CB -1.142 40.889 42.059 -0.047 0.000 0.914 359 L HN 0.542 nan 8.230 nan 0.000 0.439 360 R N -0.919 119.660 120.500 0.132 0.000 2.563 360 R HA 0.349 4.712 4.340 0.038 0.000 0.262 360 R C -1.824 174.613 176.300 0.228 0.000 1.128 360 R CA -0.284 55.909 56.100 0.154 0.000 0.969 360 R CB 1.190 31.548 30.300 0.096 0.000 1.251 360 R HN -0.143 nan 8.270 nan 0.000 0.442 361 D N 2.360 122.881 120.400 0.202 0.000 2.977 361 D HA 0.299 4.961 4.640 0.038 0.000 0.220 361 D C -0.079 176.331 176.300 0.185 0.000 1.267 361 D CA -0.143 53.990 54.000 0.222 0.000 0.884 361 D CB 1.917 42.837 40.800 0.200 0.000 1.667 361 D HN 0.643 nan 8.370 nan 0.000 0.536 365 L N 1.365 122.656 121.223 0.114 0.000 2.240 365 L HA 0.025 4.387 4.340 0.038 0.000 0.211 365 L C 2.144 179.077 176.870 0.105 0.000 1.106 365 L CA 0.674 55.570 54.840 0.093 0.000 0.793 365 L CB 0.022 42.133 42.059 0.088 0.000 0.927 365 L HN 0.292 nan 8.230 nan 0.000 0.446 366 V N 0.609 120.599 119.914 0.127 0.000 2.380 366 V HA -0.362 3.781 4.120 0.038 0.000 0.251 366 V C 2.789 178.884 176.094 0.002 0.000 1.063 366 V CA 1.976 64.355 62.300 0.131 0.000 1.055 366 V CB -0.786 31.137 31.823 0.167 0.000 0.657 366 V HN 0.516 nan 8.190 nan 0.000 0.455 367 A N -0.411 122.415 122.820 0.011 0.000 1.902 367 A HA -0.235 4.107 4.320 0.038 0.000 0.217 367 A C 2.288 179.882 177.584 0.017 0.000 1.181 367 A CA 1.970 53.999 52.037 -0.013 0.000 0.623 367 A CB -0.389 18.613 19.000 0.005 0.000 0.818 367 A HN 0.567 nan 8.150 nan 0.000 0.443 368 K N -0.422 119.998 120.400 0.033 0.000 2.103 368 K HA -0.106 4.237 4.320 0.038 0.000 0.204 368 K C 1.933 178.556 176.600 0.039 0.000 1.052 368 K CA 1.463 57.771 56.287 0.035 0.000 0.945 368 K CB -0.146 32.376 32.500 0.037 0.000 0.722 368 K HN 0.590 nan 8.250 nan 0.000 0.443 369 E N -0.000 120.235 120.200 0.059 0.000 2.110 369 E HA -0.211 4.162 4.350 0.038 0.000 0.193 369 E C 1.747 178.351 176.600 0.007 0.000 0.988 369 E CA 1.093 57.561 56.400 0.114 0.000 0.804 369 E CB -0.118 29.765 29.700 0.306 0.000 0.745 369 E HN 0.312 nan 8.360 nan 0.000 0.458 370 Y N 0.880 120.954 120.300 -0.377 0.000 2.145 370 Y HA -0.251 4.323 4.550 0.040 0.000 0.286 370 Y C 2.337 178.147 175.900 -0.151 0.000 1.145 370 Y CA 1.568 59.338 58.100 -0.549 0.000 1.148 370 Y CB -0.304 37.781 38.460 -0.625 0.000 0.981 370 Y HN 0.001 nan 8.280 nan 0.000 0.507 371 V N 0.495 120.433 119.914 0.039 0.000 2.407 371 V HA -0.205 3.938 4.120 0.038 0.000 0.248 371 V C 2.161 178.295 176.094 0.066 0.000 1.055 371 V CA 2.144 64.485 62.300 0.068 0.000 1.049 371 V CB -1.345 30.523 31.823 0.076 0.000 0.662 371 V HN 0.460 nan 8.190 nan 0.000 0.455 372 A N 0.070 122.900 122.820 0.018 0.000 2.067 372 A HA 0.244 4.586 4.320 0.038 0.000 0.219 372 A C 2.341 179.935 177.584 0.016 0.000 1.158 372 A CA 1.741 53.797 52.037 0.032 0.000 0.661 372 A CB -0.826 18.194 19.000 0.033 0.000 0.801 372 A HN 1.110 nan 8.150 nan 0.000 0.452 373 A N -1.444 121.352 122.820 -0.040 0.000 2.218 373 A HA 0.183 4.526 4.320 0.038 0.000 0.209 373 A C 0.949 178.413 177.584 -0.200 0.000 1.168 373 A CA 0.087 52.074 52.037 -0.082 0.000 0.804 373 A CB -0.034 18.967 19.000 0.002 0.000 0.834 373 A HN 0.419 nan 8.150 nan 0.000 0.482 374 Q N 1.024 120.683 119.800 -0.235 0.000 2.293 374 Q HA 0.163 4.526 4.340 0.038 0.000 0.251 374 Q C -0.755 175.050 176.000 -0.325 0.000 0.930 374 Q CA -0.333 55.234 55.803 -0.393 0.000 0.893 374 Q CB 0.820 29.202 28.738 -0.594 0.000 1.215 374 Q HN 0.386 nan 8.270 nan 0.000 0.425 375 D N 3.608 123.817 120.400 -0.317 0.000 2.382 375 D HA 0.017 4.680 4.640 0.038 0.000 0.259 375 D C -1.581 174.561 176.300 -0.264 0.000 1.224 375 D CA -1.586 52.276 54.000 -0.229 0.000 0.894 375 D CB 0.951 41.638 40.800 -0.189 0.000 1.127 375 D HN 0.153 nan 8.370 nan 0.000 0.487 376 P HA -0.112 nan 4.420 nan 0.000 0.219 376 P C 0.782 178.033 177.300 -0.083 0.000 1.146 376 P CA 0.990 64.028 63.100 -0.103 0.000 0.808 376 P CB 0.131 31.853 31.700 0.036 0.000 0.779 377 A N -1.318 121.457 122.820 -0.074 0.000 2.123 377 A HA -0.002 4.341 4.320 0.038 0.000 0.214 377 A C 1.226 178.776 177.584 -0.056 0.000 1.152 377 A CA 0.789 52.799 52.037 -0.046 0.000 0.728 377 A CB -0.686 18.296 19.000 -0.030 0.000 0.814 377 A HN 0.174 nan 8.150 nan 0.000 0.464 378 N N -0.433 118.210 118.700 -0.095 0.000 2.732 378 N HA 0.204 4.966 4.740 0.038 0.000 0.230 378 N C -3.379 172.050 175.510 -0.136 0.000 1.487 378 N CA -1.288 51.712 53.050 -0.084 0.000 0.765 378 N CB 1.231 39.690 38.487 -0.047 0.000 1.384 378 N HN 0.045 nan 8.380 nan 0.000 0.530 379 P HA 0.360 nan 4.420 nan 0.000 0.281 379 P C 0.623 177.863 177.300 -0.101 0.000 1.249 379 P CA -0.092 62.843 63.100 -0.276 0.000 0.810 379 P CB 1.240 32.639 31.700 -0.502 0.000 1.008 380 G N 0.825 109.599 108.800 -0.044 0.000 2.588 380 G HA2 0.427 4.409 3.960 0.038 0.000 0.278 380 G HA3 0.427 4.409 3.960 0.038 0.000 0.278 380 G C -0.744 174.276 174.900 0.200 0.000 1.307 380 G CA -0.485 44.697 45.100 0.135 0.000 1.016 380 G HN 0.384 nan 8.290 nan 0.000 0.503 381 V N 0.107 120.126 119.914 0.176 0.000 2.555 381 V HA 0.369 4.512 4.120 0.038 0.000 0.302 381 V C -0.405 175.693 176.094 0.005 0.000 1.038 381 V CA -0.762 61.596 62.300 0.097 0.000 0.887 381 V CB 1.512 33.349 31.823 0.024 0.000 0.991 381 V HN 0.584 nan 8.190 nan 0.000 0.434 382 L N 6.053 127.281 121.223 0.008 0.000 2.260 382 L HA 0.550 4.913 4.340 0.038 0.000 0.289 382 L C -0.320 176.486 176.870 -0.107 0.000 1.057 382 L CA 0.282 55.053 54.840 -0.115 0.000 0.811 382 L CB 1.302 43.352 42.059 -0.015 0.000 1.184 382 L HN 0.470 nan 8.230 nan 0.000 0.429 383 V N 7.018 126.838 119.914 -0.156 0.000 2.370 383 V HA 0.432 4.575 4.120 0.038 0.000 0.279 383 V C -0.099 175.927 176.094 -0.113 0.000 1.029 383 V CA -0.528 61.700 62.300 -0.120 0.000 0.870 383 V CB 1.313 33.057 31.823 -0.131 0.000 0.984 383 V HN 0.619 nan 8.190 nan 0.000 0.451 384 L N 4.060 125.232 121.223 -0.085 0.000 2.410 384 L HA 0.523 4.885 4.340 0.038 0.000 0.270 384 L C 0.310 177.136 176.870 -0.074 0.000 0.983 384 L CA -0.262 54.535 54.840 -0.070 0.000 0.822 384 L CB 2.373 44.399 42.059 -0.055 0.000 1.285 384 L HN 0.726 nan 8.230 nan 0.000 0.409 385 S N 2.733 118.398 115.700 -0.059 0.000 2.533 385 S HA 0.018 4.511 4.470 0.038 0.000 0.282 385 S C 1.162 175.668 174.600 -0.157 0.000 1.304 385 S CA -0.102 58.049 58.200 -0.082 0.000 1.063 385 S CB 0.953 64.160 63.200 0.011 0.000 0.881 385 S HN 0.775 nan 8.310 nan 0.000 0.493 386 Q N 3.396 122.997 119.800 -0.332 0.000 2.443 386 Q HA -0.119 4.243 4.340 0.038 0.000 0.213 386 Q C 0.380 176.112 176.000 -0.446 0.000 0.982 386 Q CA 1.562 57.113 55.803 -0.419 0.000 0.894 386 Q CB -0.436 27.974 28.738 -0.547 0.000 0.947 386 Q HN 0.823 nan 8.270 nan 0.000 0.480 387 F N 1.064 121.026 119.950 0.019 0.000 2.765 387 F HA 0.384 4.932 4.527 0.035 0.000 0.302 387 F C 0.983 176.800 175.800 0.029 0.000 1.111 387 F CA -0.447 57.563 58.000 0.017 0.000 1.359 387 F CB 0.050 39.063 39.000 0.021 0.000 1.097 387 F HN 0.050 nan 8.300 nan 0.000 0.577 388 A N 0.328 123.222 122.820 0.123 0.000 2.366 388 A HA 0.531 4.874 4.320 0.038 0.000 0.272 388 A C 1.790 179.434 177.584 0.099 0.000 1.135 388 A CA 0.203 52.310 52.037 0.117 0.000 0.804 388 A CB 0.207 19.257 19.000 0.083 0.000 1.064 388 A HN 0.418 nan 8.150 nan 0.000 0.499 389 G N 1.996 110.871 108.800 0.125 0.000 2.545 389 G HA2 -0.170 3.812 3.960 0.038 0.000 0.222 389 G HA3 -0.170 3.812 3.960 0.038 0.000 0.222 389 G C 1.507 176.467 174.900 0.100 0.000 1.126 389 G CA 1.525 46.700 45.100 0.124 0.000 0.754 389 G HN 1.342 nan 8.290 nan 0.000 0.583 390 A N 0.849 123.722 122.820 0.088 0.000 2.070 390 A HA 0.292 4.634 4.320 0.038 0.000 0.220 390 A C 2.723 180.332 177.584 0.042 0.000 1.159 390 A CA 1.985 54.062 52.037 0.066 0.000 0.656 390 A CB -0.529 18.505 19.000 0.057 0.000 0.800 390 A HN 0.894 nan 8.150 nan 0.000 0.453 391 A N 0.329 123.166 122.820 0.028 0.000 2.067 391 A HA -0.151 4.192 4.320 0.038 0.000 0.219 391 A C 1.775 179.364 177.584 0.008 0.000 1.158 391 A CA 1.407 53.444 52.037 -0.000 0.000 0.661 391 A CB -0.515 18.463 19.000 -0.036 0.000 0.801 391 A HN 0.575 nan 8.150 nan 0.000 0.452 392 N N 0.397 119.115 118.700 0.031 0.000 2.244 392 N HA -0.153 4.609 4.740 0.038 0.000 0.183 392 N C 1.657 177.188 175.510 0.035 0.000 1.016 392 N CA 1.651 54.722 53.050 0.036 0.000 0.866 392 N CB -0.163 38.359 38.487 0.059 0.000 0.980 392 N HN 0.919 nan 8.380 nan 0.000 0.430 393 E N 0.147 120.371 120.200 0.039 0.000 2.330 393 E HA 0.053 4.426 4.350 0.038 0.000 0.200 393 E C 0.654 177.264 176.600 0.016 0.000 0.922 393 E CA -0.027 56.393 56.400 0.034 0.000 0.935 393 E CB -0.189 29.542 29.700 0.051 0.000 0.917 393 E HN 0.141 nan 8.360 nan 0.000 0.491 394 L N 2.746 123.976 121.223 0.013 0.000 2.873 394 L HA 0.168 4.531 4.340 0.038 0.000 0.236 394 L C 1.276 178.143 176.870 -0.005 0.000 1.375 394 L CA -0.134 54.708 54.840 0.002 0.000 1.239 394 L CB -0.132 41.930 42.059 0.005 0.000 1.603 394 L HN 0.133 nan 8.230 nan 0.000 0.430 395 T N -0.865 113.686 114.554 -0.005 0.000 2.946 395 T HA -0.126 4.247 4.350 0.038 0.000 0.271 395 T C 1.710 176.404 174.700 -0.010 0.000 1.104 395 T CA 1.540 63.634 62.100 -0.009 0.000 1.114 395 T CB 0.095 68.961 68.868 -0.004 0.000 0.867 395 T HN 0.445 nan 8.240 nan 0.000 0.513 396 S N 0.490 116.185 115.700 -0.008 0.000 2.540 396 S HA 0.520 5.013 4.470 0.038 0.000 0.218 396 S C 0.826 175.426 174.600 -0.000 0.000 0.977 396 S CA -0.328 57.870 58.200 -0.004 0.000 0.918 396 S CB 0.312 63.510 63.200 -0.004 0.000 0.806 396 S HN 0.587 nan 8.310 nan 0.000 0.496 397 A N 1.480 124.297 122.820 -0.005 0.000 2.386 397 A HA 0.445 4.787 4.320 0.038 0.000 0.246 397 A C -0.004 177.568 177.584 -0.020 0.000 1.089 397 A CA -0.289 51.742 52.037 -0.009 0.000 0.790 397 A CB -0.063 18.926 19.000 -0.018 0.000 1.042 397 A HN 0.259 nan 8.150 nan 0.000 0.497 398 L N 2.242 123.448 121.223 -0.029 0.000 2.536 398 L HA 0.122 4.485 4.340 0.038 0.000 0.282 398 L C -0.032 176.808 176.870 -0.050 0.000 1.147 398 L CA 0.167 54.985 54.840 -0.037 0.000 0.936 398 L CB -0.605 41.429 42.059 -0.042 0.000 1.279 398 L HN 0.363 nan 8.230 nan 0.000 0.461 399 I N 5.112 125.653 120.570 -0.050 0.000 2.416 399 I HA 0.297 4.490 4.170 0.038 0.000 0.288 399 I C 0.393 176.465 176.117 -0.075 0.000 1.051 399 I CA -0.144 61.115 61.300 -0.069 0.000 1.375 399 I CB 1.052 39.009 38.000 -0.071 0.000 1.407 399 I HN 0.292 nan 8.210 nan 0.000 0.516 400 V N 3.337 123.196 119.914 -0.092 0.000 3.130 400 V HA 0.554 4.697 4.120 0.038 0.000 0.310 400 V C -0.505 175.522 176.094 -0.111 0.000 1.158 400 V CA -1.083 61.171 62.300 -0.078 0.000 1.029 400 V CB 2.221 34.012 31.823 -0.053 0.000 1.057 400 V HN 0.807 nan 8.190 nan 0.000 0.436 401 N N 2.642 121.312 118.700 -0.051 0.000 2.485 401 N HA 0.464 5.226 4.740 0.038 0.000 0.243 401 N C -1.748 173.820 175.510 0.095 0.000 0.987 401 N CA -1.915 51.150 53.050 0.024 0.000 0.940 401 N CB 2.020 40.566 38.487 0.100 0.000 1.122 401 N HN 0.605 nan 8.380 nan 0.000 0.509 402 P HA -0.152 nan 4.420 nan 0.000 0.223 402 P C 0.180 177.424 177.300 -0.094 0.000 1.144 402 P CA 1.138 64.208 63.100 -0.050 0.000 0.783 402 P CB -0.060 31.562 31.700 -0.131 0.000 0.771 403 Y N -0.415 119.970 120.300 0.142 0.000 2.583 403 Y HA 0.038 4.614 4.550 0.043 0.000 0.293 403 Y C 1.025 176.970 175.900 0.075 0.000 1.157 403 Y CA 0.312 58.469 58.100 0.095 0.000 1.315 403 Y CB -0.205 38.309 38.460 0.090 0.000 1.021 403 Y HN -0.069 nan 8.280 nan 0.000 0.536 404 D N 0.569 121.075 120.400 0.176 0.000 2.462 404 D HA 0.076 4.739 4.640 0.038 0.000 0.249 404 D C 1.231 177.581 176.300 0.083 0.000 1.117 404 D CA -0.397 53.676 54.000 0.122 0.000 0.900 404 D CB 0.476 41.342 40.800 0.110 0.000 1.039 404 D HN 0.237 nan 8.370 nan 0.000 0.516 405 R N 2.447 122.995 120.500 0.079 0.000 2.105 405 R HA -0.162 4.201 4.340 0.038 0.000 0.239 405 R C 0.144 176.487 176.300 0.071 0.000 1.135 405 R CA 1.094 57.235 56.100 0.068 0.000 0.967 405 R CB -0.184 30.161 30.300 0.075 0.000 0.861 405 R HN 0.199 nan 8.270 nan 0.000 0.442 406 D N 0.993 121.441 120.400 0.080 0.000 2.149 406 D HA -0.136 4.526 4.640 0.038 0.000 0.201 406 D C 1.803 178.156 176.300 0.089 0.000 0.972 406 D CA 1.120 55.178 54.000 0.097 0.000 0.835 406 D CB -0.229 40.626 40.800 0.091 0.000 0.966 406 D HN 0.507 nan 8.370 nan 0.000 0.476 407 E N 0.567 120.807 120.200 0.066 0.000 2.085 407 E HA -0.144 4.228 4.350 0.038 0.000 0.194 407 E C 1.986 178.600 176.600 0.024 0.000 0.994 407 E CA 0.805 57.233 56.400 0.047 0.000 0.801 407 E CB 0.237 29.961 29.700 0.039 0.000 0.743 407 E HN 0.008 nan 8.360 nan 0.000 0.453 408 V N 1.116 121.041 119.914 0.019 0.000 2.307 408 V HA -0.234 3.909 4.120 0.038 0.000 0.245 408 V C 2.475 178.552 176.094 -0.028 0.000 1.045 408 V CA 1.687 63.980 62.300 -0.013 0.000 1.024 408 V CB -0.843 30.971 31.823 -0.016 0.000 0.651 408 V HN 0.431 nan 8.190 nan 0.000 0.449 409 A N 0.274 123.097 122.820 0.006 0.000 1.917 409 A HA -0.211 4.132 4.320 0.038 0.000 0.219 409 A C 2.427 179.933 177.584 -0.129 0.000 1.182 409 A CA 2.438 54.461 52.037 -0.022 0.000 0.633 409 A CB -0.876 18.189 19.000 0.109 0.000 0.819 409 A HN 0.596 nan 8.150 nan 0.000 0.448 410 A N -0.400 122.414 122.820 -0.009 0.000 1.933 410 A HA 0.181 4.524 4.320 0.038 0.000 0.218 410 A C 2.479 180.017 177.584 -0.077 0.000 1.175 410 A CA 2.045 54.078 52.037 -0.006 0.000 0.628 410 A CB -0.932 18.133 19.000 0.108 0.000 0.814 410 A HN 1.105 nan 8.150 nan 0.000 0.444 411 A N -0.455 122.328 122.820 -0.061 0.000 1.969 411 A HA 0.053 4.395 4.320 0.038 0.000 0.218 411 A C 2.130 179.648 177.584 -0.109 0.000 1.169 411 A CA 1.266 53.261 52.037 -0.070 0.000 0.635 411 A CB -0.498 18.467 19.000 -0.058 0.000 0.810 411 A HN 0.466 nan 8.150 nan 0.000 0.445 412 L N -0.655 120.480 121.223 -0.147 0.000 2.046 412 L HA -0.200 4.162 4.340 0.038 0.000 0.208 412 L C 2.402 179.139 176.870 -0.222 0.000 1.077 412 L CA 1.852 56.586 54.840 -0.177 0.000 0.747 412 L CB -0.496 41.458 42.059 -0.175 0.000 0.896 412 L HN 0.497 nan 8.230 nan 0.000 0.432 413 D N -0.030 120.188 120.400 -0.304 0.000 2.117 413 D HA -0.244 4.419 4.640 0.038 0.000 0.197 413 D C 2.306 178.542 176.300 -0.107 0.000 0.987 413 D CA 1.181 55.013 54.000 -0.279 0.000 0.829 413 D CB 0.083 40.552 40.800 -0.552 0.000 0.961 413 D HN 0.053 nan 8.370 nan 0.000 0.460 414 R N -0.104 120.344 120.500 -0.086 0.000 2.081 414 R HA -0.075 4.288 4.340 0.038 0.000 0.235 414 R C 2.185 178.465 176.300 -0.034 0.000 1.131 414 R CA 1.430 57.512 56.100 -0.031 0.000 0.960 414 R CB -0.389 29.898 30.300 -0.021 0.000 0.856 414 R HN 0.191 nan 8.270 nan 0.000 0.436 415 A N 1.062 123.847 122.820 -0.059 0.000 1.940 415 A HA -0.136 4.206 4.320 0.038 0.000 0.219 415 A C 2.169 179.727 177.584 -0.043 0.000 1.176 415 A CA 1.342 53.349 52.037 -0.050 0.000 0.631 415 A CB -0.534 18.423 19.000 -0.071 0.000 0.814 415 A HN 0.382 nan 8.150 nan 0.000 0.446 416 L N -0.141 121.038 121.223 -0.073 0.000 2.291 416 L HA -0.018 4.345 4.340 0.038 0.000 0.214 416 L C 1.609 178.480 176.870 0.001 0.000 1.120 416 L CA 1.038 55.839 54.840 -0.066 0.000 0.799 416 L CB -0.556 41.389 42.059 -0.189 0.000 0.925 416 L HN 0.629 nan 8.230 nan 0.000 0.446 420 L N 2.409 123.639 121.223 0.012 0.000 1.990 420 L HA 0.113 4.476 4.340 0.038 0.000 0.213 420 L C 2.835 179.712 176.870 0.012 0.000 1.072 420 L CA 3.119 57.965 54.840 0.009 0.000 0.755 420 L CB -1.397 40.665 42.059 0.006 0.000 0.889 420 L HN 1.086 nan 8.230 nan 0.000 0.432 421 A N -0.971 121.857 122.820 0.013 0.000 1.892 421 A HA -0.329 4.014 4.320 0.038 0.000 0.218 421 A C 2.368 179.964 177.584 0.020 0.000 1.188 421 A CA 2.205 54.251 52.037 0.015 0.000 0.631 421 A CB -0.859 18.148 19.000 0.013 0.000 0.822 421 A HN 0.662 nan 8.150 nan 0.000 0.447 422 E N -0.591 119.621 120.200 0.019 0.000 2.107 422 E HA -0.166 4.207 4.350 0.038 0.000 0.191 422 E C 2.274 178.893 176.600 0.032 0.000 0.982 422 E CA 0.711 57.124 56.400 0.022 0.000 0.809 422 E CB -0.068 29.643 29.700 0.018 0.000 0.756 422 E HN 0.625 nan 8.360 nan 0.000 0.459 423 R N 0.254 120.773 120.500 0.031 0.000 2.081 423 R HA -0.134 4.229 4.340 0.038 0.000 0.235 423 R C 2.334 178.670 176.300 0.061 0.000 1.131 423 R CA 1.096 57.221 56.100 0.043 0.000 0.960 423 R CB -0.265 30.050 30.300 0.025 0.000 0.856 423 R HN 0.243 nan 8.270 nan 0.000 0.436 424 I N 1.253 121.849 120.570 0.043 0.000 2.127 424 I HA -0.262 3.930 4.170 0.038 0.000 0.241 424 I C 2.669 178.835 176.117 0.082 0.000 1.075 424 I CA 1.891 63.226 61.300 0.059 0.000 1.334 424 I CB -1.550 36.471 38.000 0.035 0.000 1.040 424 I HN 0.198 nan 8.210 nan 0.000 0.405 425 S N 0.669 116.400 115.700 0.052 0.000 2.402 425 S HA -0.122 4.371 4.470 0.038 0.000 0.229 425 S C 2.144 176.767 174.600 0.038 0.000 1.021 425 S CA 0.602 58.825 58.200 0.039 0.000 0.974 425 S CB -0.417 62.798 63.200 0.024 0.000 0.800 425 S HN 0.367 nan 8.310 nan 0.000 0.484 426 R N 0.220 120.750 120.500 0.051 0.000 2.066 426 R HA -0.059 4.303 4.340 0.038 0.000 0.232 426 R C 2.618 178.954 176.300 0.060 0.000 1.131 426 R CA 1.547 57.675 56.100 0.047 0.000 0.955 426 R CB -0.637 29.694 30.300 0.052 0.000 0.851 426 R HN 0.648 nan 8.270 nan 0.000 0.432 427 H N 0.393 119.467 119.070 0.007 0.000 2.321 427 H HA -0.043 4.536 4.556 0.038 0.000 0.300 427 H C 1.746 177.072 175.328 -0.003 0.000 1.087 427 H CA 1.712 57.763 56.048 0.004 0.000 1.319 427 H CB 0.144 29.903 29.762 -0.006 0.000 1.379 427 H HN 0.236 nan 8.280 nan 0.000 0.501 428 A N 1.034 123.831 122.820 -0.039 0.000 1.933 428 A HA -0.129 4.213 4.320 0.038 0.000 0.218 428 A C 1.668 179.184 177.584 -0.114 0.000 1.175 428 A CA 0.848 52.834 52.037 -0.086 0.000 0.628 428 A CB -0.474 18.536 19.000 0.017 0.000 0.814 428 A HN 0.663 nan 8.150 nan 0.000 0.444 432 D N 0.384 120.719 120.400 -0.107 0.000 2.117 432 D HA -0.139 4.524 4.640 0.038 0.000 0.197 432 D C 1.653 177.925 176.300 -0.047 0.000 0.987 432 D CA 2.085 56.047 54.000 -0.062 0.000 0.829 432 D CB 0.355 41.126 40.800 -0.049 0.000 0.961 432 D HN 0.269 nan 8.370 nan 0.000 0.460 433 V N 2.125 122.012 119.914 -0.045 0.000 2.343 433 V HA -0.235 3.908 4.120 0.038 0.000 0.247 433 V C 2.668 178.752 176.094 -0.015 0.000 1.051 433 V CA 1.866 64.151 62.300 -0.025 0.000 1.036 433 V CB -0.689 31.125 31.823 -0.015 0.000 0.654 433 V HN 0.426 nan 8.190 nan 0.000 0.451 434 I N -2.283 118.274 120.570 -0.021 0.000 2.876 434 I HA -0.017 4.176 4.170 0.038 0.000 0.264 434 I C 2.112 178.231 176.117 0.002 0.000 1.204 434 I CA 0.988 62.288 61.300 -0.001 0.000 1.485 434 I CB -0.344 37.654 38.000 -0.003 0.000 1.103 434 I HN 0.050 nan 8.210 nan 0.000 0.446 435 V N 2.139 122.044 119.914 -0.015 0.000 2.379 435 V HA -0.145 3.998 4.120 0.038 0.000 0.245 435 V C 2.624 178.708 176.094 -0.016 0.000 1.044 435 V CA 1.679 63.974 62.300 -0.009 0.000 1.036 435 V CB -0.757 31.056 31.823 -0.017 0.000 0.664 435 V HN 0.402 nan 8.190 nan 0.000 0.453 436 K N 0.328 120.704 120.400 -0.040 0.000 2.097 436 K HA -0.103 4.239 4.320 0.038 0.000 0.206 436 K C 1.294 177.813 176.600 -0.134 0.000 1.049 436 K CA 0.892 57.124 56.287 -0.091 0.000 0.933 436 K CB -0.366 32.077 32.500 -0.095 0.000 0.717 436 K HN 0.358 nan 8.250 nan 0.000 0.442 437 N N 2.255 120.938 118.700 -0.029 0.000 2.671 437 N HA -0.022 4.741 4.740 0.038 0.000 0.303 437 N C -0.779 174.814 175.510 0.139 0.000 1.351 437 N CA -0.047 53.050 53.050 0.078 0.000 0.991 437 N CB 0.215 38.782 38.487 0.133 0.000 1.307 437 N HN 0.101 nan 8.380 nan 0.000 0.512 438 D N 1.107 121.579 120.400 0.119 0.000 2.860 438 D HA -0.207 4.456 4.640 0.038 0.000 0.210 438 D C 1.582 177.999 176.300 0.195 0.000 1.139 438 D CA 0.397 54.481 54.000 0.141 0.000 0.821 438 D CB 1.145 42.038 40.800 0.156 0.000 1.196 438 D HN 0.280 nan 8.370 nan 0.000 0.522 439 I N 3.803 124.450 120.570 0.129 0.000 2.335 439 I HA -0.290 3.903 4.170 0.038 0.000 0.251 439 I C 1.942 178.216 176.117 0.262 0.000 1.129 439 I CA 1.486 62.875 61.300 0.148 0.000 1.402 439 I CB -0.333 37.692 38.000 0.042 0.000 1.069 439 I HN 0.453 nan 8.210 nan 0.000 0.424 440 N N -0.322 118.500 118.700 0.203 0.000 2.084 440 N HA -0.313 4.450 4.740 0.038 0.000 0.190 440 N C 2.140 177.793 175.510 0.239 0.000 1.030 440 N CA 1.949 55.115 53.050 0.194 0.000 0.849 440 N CB -0.322 38.250 38.487 0.141 0.000 1.012 440 N HN 0.556 nan 8.380 nan 0.000 0.423 441 H N -1.279 117.893 119.070 0.171 0.000 2.319 441 H HA -0.127 4.451 4.556 0.037 0.000 0.299 441 H C 1.690 177.164 175.328 0.243 0.000 1.092 441 H CA 2.310 58.462 56.048 0.173 0.000 1.302 441 H CB -0.677 29.179 29.762 0.156 0.000 1.373 441 H HN 0.472 nan 8.280 nan 0.000 0.497 442 W N 1.669 123.023 121.300 0.090 0.000 2.298 442 W HA -0.296 4.388 4.660 0.041 0.000 0.328 442 W C 2.726 179.258 176.519 0.023 0.000 1.259 442 W CA 2.515 59.893 57.345 0.054 0.000 1.251 442 W CB -0.787 28.703 29.460 0.050 0.000 1.161 442 W HN 0.318 nan 8.180 nan 0.000 0.466 443 Q N 0.796 120.715 119.800 0.198 0.000 2.062 443 Q HA -0.292 4.071 4.340 0.038 0.000 0.209 443 Q C 1.996 177.950 176.000 -0.077 0.000 0.996 443 Q CA 2.626 58.467 55.803 0.064 0.000 0.859 443 Q CB -0.876 28.009 28.738 0.244 0.000 0.920 443 Q HN 0.565 nan 8.270 nan 0.000 0.415 444 E N -0.689 119.493 120.200 -0.030 0.000 2.058 444 E HA -0.172 4.201 4.350 0.038 0.000 0.194 444 E C 2.291 178.799 176.600 -0.153 0.000 0.997 444 E CA 1.443 57.802 56.400 -0.067 0.000 0.801 444 E CB -0.080 29.611 29.700 -0.015 0.000 0.746 444 E HN 0.451 nan 8.360 nan 0.000 0.450 445 C N 0.039 119.214 119.300 -0.207 0.000 2.446 445 C HA -0.106 4.377 4.460 0.038 0.000 0.277 445 C C 2.384 177.251 174.990 -0.206 0.000 1.275 445 C CA 0.240 59.164 59.018 -0.155 0.000 1.727 445 C CB -0.948 26.741 27.740 -0.085 0.000 2.010 445 C HN 0.421 nan 8.230 nan 0.000 0.486 446 F N 1.551 121.091 119.950 -0.682 0.000 2.113 446 F HA -0.091 4.459 4.527 0.038 0.000 0.297 446 F C 2.205 177.479 175.800 -0.877 0.000 1.103 446 F CA 1.618 58.925 58.000 -1.156 0.000 1.248 446 F CB -0.230 37.639 39.000 -1.886 0.000 0.999 446 F HN 0.044 nan 8.300 nan 0.000 0.475 447 I N -0.125 120.159 120.570 -0.477 0.000 2.163 447 I HA -0.296 3.897 4.170 0.038 0.000 0.243 447 I C 2.750 178.701 176.117 -0.276 0.000 1.085 447 I CA 1.806 62.911 61.300 -0.325 0.000 1.347 447 I CB -1.950 35.952 38.000 -0.164 0.000 1.044 447 I HN 0.291 nan 8.210 nan 0.000 0.408 448 S N 0.743 116.308 115.700 -0.224 0.000 2.382 448 S HA -0.200 4.292 4.470 0.038 0.000 0.228 448 S C 1.688 176.181 174.600 -0.179 0.000 1.027 448 S CA 1.659 59.766 58.200 -0.155 0.000 0.991 448 S CB -0.207 62.930 63.200 -0.105 0.000 0.823 448 S HN 0.357 nan 8.310 nan 0.000 0.469 449 D N 0.979 121.230 120.400 -0.247 0.000 2.117 449 D HA -0.035 4.628 4.640 0.038 0.000 0.198 449 D C 1.897 178.028 176.300 -0.282 0.000 0.982 449 D CA 0.842 54.701 54.000 -0.235 0.000 0.828 449 D CB -0.563 40.104 40.800 -0.222 0.000 0.967 449 D HN 0.355 nan 8.370 nan 0.000 0.464 450 L N 1.284 122.251 121.223 -0.427 0.000 2.017 450 L HA -0.124 4.239 4.340 0.038 0.000 0.208 450 L C 1.844 178.606 176.870 -0.179 0.000 1.073 450 L CA 1.800 56.435 54.840 -0.342 0.000 0.745 450 L CB -0.369 41.443 42.059 -0.413 0.000 0.894 450 L HN -0.128 nan 8.230 nan 0.000 0.432 451 K N -1.146 119.159 120.400 -0.157 0.000 2.280 451 K HA -0.155 4.187 4.320 0.038 0.000 0.202 451 K C 2.000 178.555 176.600 -0.075 0.000 1.047 451 K CA 0.934 57.165 56.287 -0.093 0.000 0.942 451 K CB -0.057 32.395 32.500 -0.081 0.000 0.739 451 K HN 0.485 nan 8.250 nan 0.000 0.457 452 Q N 0.508 120.253 119.800 -0.092 0.000 2.432 452 Q HA 0.073 4.436 4.340 0.038 0.000 0.205 452 Q C 0.519 176.485 176.000 -0.057 0.000 0.945 452 Q CA 0.126 55.887 55.803 -0.069 0.000 0.924 452 Q CB 0.266 28.959 28.738 -0.075 0.000 1.016 452 Q HN 0.353 nan 8.270 nan 0.000 0.503 453 I N -0.272 120.262 120.570 -0.059 0.000 2.499 453 I HA 0.222 4.414 4.170 0.038 0.000 0.296 453 I C -0.171 175.934 176.117 -0.019 0.000 0.992 453 I CA -0.995 60.284 61.300 -0.035 0.000 1.297 453 I CB 1.280 39.265 38.000 -0.025 0.000 1.410 453 I HN -0.223 nan 8.210 nan 0.000 0.507 454 V N 5.051 124.959 119.914 -0.009 0.000 2.465 454 V HA 0.606 4.749 4.120 0.038 0.000 0.279 454 V C -2.183 173.916 176.094 0.009 0.000 1.045 454 V CA -1.292 61.007 62.300 -0.002 0.000 0.938 454 V CB 0.271 32.092 31.823 -0.003 0.000 0.986 454 V HN 0.755 nan 8.190 nan 0.000 0.467 455 P HA 0.304 nan 4.420 nan 0.000 0.274 455 P C 0.039 177.350 177.300 0.019 0.000 1.237 455 P CA -0.620 62.491 63.100 0.019 0.000 0.793 455 P CB 0.720 32.429 31.700 0.014 0.000 0.977 456 R N 0.000 120.515 120.500 0.024 0.000 2.786 456 R HA 0.000 4.363 4.340 0.038 0.000 0.208 456 R CA 0.000 56.114 56.100 0.023 0.000 0.921 456 R CB 0.000 30.316 30.300 0.027 0.000 0.687 456 R HN 0.000 nan 8.270 nan 0.000 0.535