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_C 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 TRVTTRSAKS 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 0.000 174.611 174.600 0.019 0.000 1.055 1 S CA 0.000 58.207 58.200 0.012 0.000 1.107 1 S CB 0.000 63.207 63.200 0.012 0.000 0.593 2 R N 1.816 122.331 120.500 0.024 0.000 2.537 2 R HA 0.149 4.487 4.340 -0.004 0.000 0.281 2 R C -0.765 175.561 176.300 0.044 0.000 0.988 2 R CA 0.108 56.226 56.100 0.031 0.000 1.077 2 R CB 0.067 30.386 30.300 0.031 0.000 0.932 2 R HN 0.375 nan 8.270 nan 0.000 0.409 3 L N 5.677 126.929 121.223 0.049 0.000 2.276 3 L HA 0.285 4.623 4.340 -0.004 0.000 0.286 3 L C -1.114 175.808 176.870 0.086 0.000 1.061 3 L CA -0.114 54.774 54.840 0.079 0.000 0.807 3 L CB 1.709 43.819 42.059 0.084 0.000 1.177 3 L HN 0.328 nan 8.230 nan 0.000 0.429 4 V N 6.379 126.370 119.914 0.129 0.000 2.334 4 V HA 0.427 4.544 4.120 -0.004 0.000 0.281 4 V C -0.237 175.974 176.094 0.196 0.000 1.016 4 V CA -0.646 61.741 62.300 0.145 0.000 0.832 4 V CB 1.549 33.457 31.823 0.141 0.000 0.999 4 V HN 0.555 nan 8.190 nan 0.000 0.439 5 V N 5.929 125.923 119.914 0.133 0.000 2.427 5 V HA 0.607 4.724 4.120 -0.004 0.000 0.286 5 V C -0.123 176.120 176.094 0.249 0.000 1.034 5 V CA -0.510 61.835 62.300 0.076 0.000 0.893 5 V CB 1.929 33.532 31.823 -0.367 0.000 0.982 5 V HN 0.682 nan 8.190 nan 0.000 0.452 6 V N 4.294 124.396 119.914 0.314 0.000 2.588 6 V HA 0.999 5.117 4.120 -0.004 0.000 0.304 6 V C -0.414 175.875 176.094 0.326 0.000 1.042 6 V CA 0.117 62.656 62.300 0.399 0.000 0.877 6 V CB 2.095 34.172 31.823 0.423 0.000 0.996 6 V HN 1.093 nan 8.190 nan 0.000 0.425 7 S N 3.868 119.770 115.700 0.336 0.000 2.596 7 S HA 0.427 4.895 4.470 -0.004 0.000 0.270 7 S C 0.426 175.105 174.600 0.132 0.000 1.155 7 S CA -0.266 58.075 58.200 0.236 0.000 0.827 7 S CB 1.610 64.956 63.200 0.244 0.000 1.130 7 S HN 0.889 nan 8.310 nan 0.000 0.467 8 N N 0.534 119.240 118.700 0.010 0.000 2.062 8 N HA -0.080 4.657 4.740 -0.004 0.000 0.191 8 N C 0.496 175.970 175.510 -0.061 0.000 1.042 8 N CA 0.920 53.937 53.050 -0.054 0.000 0.845 8 N CB -0.084 38.129 38.487 -0.457 0.000 1.024 8 N HN 0.563 nan 8.380 nan 0.000 0.424 9 R N 1.220 121.653 120.500 -0.110 0.000 2.390 9 R HA 0.309 4.647 4.340 -0.004 0.000 0.291 9 R C -0.158 176.041 176.300 -0.169 0.000 1.070 9 R CA -0.183 55.840 56.100 -0.129 0.000 1.014 9 R CB 0.292 30.551 30.300 -0.069 0.000 1.007 9 R HN 0.337 nan 8.270 nan 0.000 0.466 10 I N -0.040 120.290 120.570 -0.400 0.000 2.846 10 I HA 0.760 4.928 4.170 -0.004 0.000 0.307 10 I C -0.769 175.027 176.117 -0.534 0.000 1.053 10 I CA -1.439 59.401 61.300 -0.767 0.000 1.050 10 I CB 2.490 39.814 38.000 -1.127 0.000 1.239 10 I HN 0.645 nan 8.210 nan 0.000 0.439 11 A N 5.040 127.540 122.820 -0.533 0.000 2.269 11 A HA 0.664 4.982 4.320 -0.004 0.000 0.302 11 A C -2.432 174.986 177.584 -0.277 0.000 1.266 11 A CA -1.614 50.326 52.037 -0.161 0.000 0.894 11 A CB -0.370 18.751 19.000 0.202 0.000 1.147 11 A HN 0.616 nan 8.150 nan 0.000 0.537 12 P HA 0.159 nan 4.420 nan 0.000 0.272 12 P C -2.177 174.731 177.300 -0.653 0.000 1.223 12 P CA -1.177 61.567 63.100 -0.593 0.000 0.784 12 P CB 0.398 31.820 31.700 -0.463 0.000 0.923 13 P HA -0.130 nan 4.420 nan 0.000 0.216 13 P C 0.539 177.578 177.300 -0.434 0.000 1.150 13 P CA 1.379 63.939 63.100 -0.900 0.000 0.837 13 P CB -0.087 30.975 31.700 -1.063 0.000 0.786 14 D N 0.569 120.736 120.400 -0.388 0.000 2.348 14 D HA -0.073 4.565 4.640 -0.004 0.000 0.259 14 D C 0.759 176.917 176.300 -0.237 0.000 1.296 14 D CA 0.194 54.029 54.000 -0.275 0.000 0.931 14 D CB 0.411 41.037 40.800 -0.290 0.000 1.067 14 D HN 0.145 nan 8.370 nan 0.000 0.503 15 E N 2.235 122.351 120.200 -0.140 0.000 2.216 15 E HA -0.169 4.179 4.350 -0.004 0.000 0.192 15 E C 1.522 178.118 176.600 -0.005 0.000 0.988 15 E CA 0.366 56.726 56.400 -0.067 0.000 0.834 15 E CB 0.048 29.745 29.700 -0.005 0.000 0.772 15 E HN 0.698 nan 8.360 nan 0.000 0.479 16 H N -1.226 117.799 119.070 -0.075 0.000 2.543 16 H HA 0.252 4.805 4.556 -0.004 0.000 0.269 16 H C 0.887 176.156 175.328 -0.099 0.000 1.005 16 H CA 0.513 56.527 56.048 -0.057 0.000 1.146 16 H CB 0.312 30.050 29.762 -0.039 0.000 1.353 16 H HN 0.011 nan 8.280 nan 0.000 0.595 17 A N 0.827 123.503 122.820 -0.239 0.000 2.302 17 A HA 0.467 4.785 4.320 -0.004 0.000 0.219 17 A C 1.230 178.679 177.584 -0.225 0.000 1.243 17 A CA 0.232 52.107 52.037 -0.269 0.000 0.856 17 A CB -0.484 18.327 19.000 -0.314 0.000 0.893 17 A HN 0.544 nan 8.150 nan 0.000 0.491 18 A N -0.225 122.511 122.820 -0.140 0.000 2.445 18 A HA 0.509 4.827 4.320 -0.004 0.000 0.242 18 A C 0.567 178.034 177.584 -0.195 0.000 1.075 18 A CA 0.196 52.161 52.037 -0.119 0.000 0.777 18 A CB 0.185 19.183 19.000 -0.004 0.000 1.013 18 A HN 0.324 nan 8.150 nan 0.000 0.493 19 S N 0.034 115.634 115.700 -0.166 0.000 2.549 19 S HA 0.619 5.087 4.470 -0.004 0.000 0.297 19 S C 0.394 174.990 174.600 -0.007 0.000 1.115 19 S CA -0.048 58.044 58.200 -0.180 0.000 1.059 19 S CB 0.984 64.082 63.200 -0.169 0.000 1.046 19 S HN 1.521 nan 8.310 nan 0.000 0.506 20 A N 2.065 124.940 122.820 0.093 0.000 2.520 20 A HA 0.566 4.884 4.320 -0.004 0.000 0.235 20 A C 0.752 178.392 177.584 0.094 0.000 1.065 20 A CA 0.527 52.667 52.037 0.171 0.000 0.764 20 A CB -0.707 18.418 19.000 0.208 0.000 1.002 20 A HN 1.618 nan 8.150 nan 0.000 0.502 21 G N 0.064 108.930 108.800 0.110 0.000 2.326 21 G HA2 0.471 4.429 3.960 -0.004 0.000 0.299 21 G HA3 0.471 4.429 3.960 -0.004 0.000 0.299 21 G C 0.381 175.348 174.900 0.112 0.000 1.643 21 G CA 0.011 45.174 45.100 0.105 0.000 0.916 21 G HN 1.483 nan 8.290 nan 0.000 0.700 22 G N 0.439 109.322 108.800 0.138 0.000 2.430 22 G HA2 0.174 4.131 3.960 -0.004 0.000 0.216 22 G HA3 0.174 4.131 3.960 -0.004 0.000 0.216 22 G C 1.850 176.801 174.900 0.086 0.000 1.146 22 G CA 1.294 46.468 45.100 0.125 0.000 0.793 22 G HN 1.208 nan 8.290 nan 0.000 0.537 23 L N 0.922 122.187 121.223 0.071 0.000 1.971 23 L HA -0.054 4.284 4.340 -0.004 0.000 0.215 23 L C 3.089 179.932 176.870 -0.044 0.000 1.072 23 L CA 2.259 57.047 54.840 -0.087 0.000 0.758 23 L CB -0.309 41.595 42.059 -0.258 0.000 0.889 23 L HN 0.228 nan 8.230 nan 0.000 0.433 24 A N -0.906 121.949 122.820 0.059 0.000 1.933 24 A HA -0.144 4.174 4.320 -0.004 0.000 0.218 24 A C 2.210 179.898 177.584 0.172 0.000 1.175 24 A CA 1.865 54.026 52.037 0.206 0.000 0.628 24 A CB -1.045 18.044 19.000 0.149 0.000 0.814 24 A HN 0.377 nan 8.150 nan 0.000 0.444 25 V N -0.085 119.882 119.914 0.089 0.000 2.295 25 V HA -0.191 3.926 4.120 -0.004 0.000 0.246 25 V C 2.820 178.910 176.094 -0.008 0.000 1.049 25 V CA 1.995 64.333 62.300 0.064 0.000 1.024 25 V CB -1.504 30.357 31.823 0.063 0.000 0.648 25 V HN 0.608 nan 8.190 nan 0.000 0.447 26 G N 0.091 108.842 108.800 -0.083 0.000 2.511 26 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.216 26 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.216 26 G C 1.565 176.328 174.900 -0.227 0.000 1.218 26 G CA 1.267 46.227 45.100 -0.233 0.000 0.788 26 G HN 0.474 nan 8.290 nan 0.000 0.560 27 I N 0.226 120.616 120.570 -0.300 0.000 2.208 27 I HA -0.162 4.005 4.170 -0.004 0.000 0.245 27 I C 2.626 178.423 176.117 -0.534 0.000 1.097 27 I CA 0.659 61.614 61.300 -0.576 0.000 1.363 27 I CB -0.272 37.112 38.000 -1.027 0.000 1.051 27 I HN 0.168 nan 8.210 nan 0.000 0.413 28 L N 1.286 122.354 121.223 -0.258 0.000 2.017 28 L HA -0.101 4.236 4.340 -0.004 0.000 0.208 28 L C 2.424 179.278 176.870 -0.026 0.000 1.073 28 L CA 2.305 57.135 54.840 -0.017 0.000 0.745 28 L CB -1.325 40.887 42.059 0.255 0.000 0.894 28 L HN 0.208 nan 8.230 nan 0.000 0.432 29 G N -0.889 107.902 108.800 -0.015 0.000 2.529 29 G HA2 -0.373 3.584 3.960 -0.004 0.000 0.219 29 G HA3 -0.373 3.584 3.960 -0.004 0.000 0.219 29 G C 1.604 176.513 174.900 0.015 0.000 1.177 29 G CA 1.350 46.456 45.100 0.010 0.000 0.773 29 G HN 0.689 nan 8.290 nan 0.000 0.573 30 A N 0.417 123.238 122.820 0.002 0.000 1.865 30 A HA 0.055 4.372 4.320 -0.004 0.000 0.217 30 A C 2.507 180.078 177.584 -0.022 0.000 1.191 30 A CA 1.567 53.638 52.037 0.058 0.000 0.623 30 A CB -0.573 18.488 19.000 0.103 0.000 0.826 30 A HN 0.361 nan 8.150 nan 0.000 0.444 31 L N -0.811 120.322 121.223 -0.151 0.000 2.079 31 L HA -0.209 4.129 4.340 -0.004 0.000 0.210 31 L C 2.621 179.449 176.870 -0.070 0.000 1.081 31 L CA 1.698 56.440 54.840 -0.164 0.000 0.752 31 L CB -0.310 41.558 42.059 -0.318 0.000 0.896 31 L HN 0.376 nan 8.230 nan 0.000 0.433 32 K N -0.534 119.850 120.400 -0.027 0.000 2.147 32 K HA -0.172 4.146 4.320 -0.004 0.000 0.205 32 K C 2.111 178.727 176.600 0.027 0.000 1.049 32 K CA 1.306 57.606 56.287 0.021 0.000 0.936 32 K CB -0.119 32.412 32.500 0.052 0.000 0.722 32 K HN 0.336 nan 8.250 nan 0.000 0.446 33 A N 0.811 123.649 122.820 0.031 0.000 1.898 33 A HA 0.014 4.332 4.320 -0.004 0.000 0.214 33 A C 2.194 179.799 177.584 0.034 0.000 1.183 33 A CA 1.516 53.580 52.037 0.044 0.000 0.622 33 A CB -0.371 18.669 19.000 0.067 0.000 0.824 33 A HN 0.327 nan 8.150 nan 0.000 0.444 34 A N -1.180 121.655 122.820 0.025 0.000 1.844 34 A HA 0.471 4.789 4.320 -0.004 0.000 0.212 34 A C 1.518 179.107 177.584 0.008 0.000 1.221 34 A CA 1.551 53.601 52.037 0.021 0.000 0.607 34 A CB -0.987 18.032 19.000 0.032 0.000 0.878 34 A HN 2.165 nan 8.150 nan 0.000 0.451 35 G N -3.539 105.253 108.800 -0.013 0.000 2.587 35 G HA2 0.534 4.492 3.960 -0.004 0.000 0.686 35 G HA3 0.534 4.492 3.960 -0.004 0.000 0.686 35 G C 0.170 175.049 174.900 -0.036 0.000 1.236 35 G CA -0.140 44.947 45.100 -0.021 0.000 0.820 35 G HN 2.383 nan 8.290 nan 0.000 0.645 36 G N -0.824 107.946 108.800 -0.049 0.000 2.362 36 G HA2 0.525 4.483 3.960 -0.004 0.000 0.288 36 G HA3 0.525 4.483 3.960 -0.004 0.000 0.288 36 G C -1.485 173.378 174.900 -0.062 0.000 1.305 36 G CA -0.153 44.922 45.100 -0.042 0.000 0.910 36 G HN 1.758 nan 8.290 nan 0.000 0.518 37 L N 0.102 121.317 121.223 -0.014 0.000 2.313 37 L HA 0.685 5.023 4.340 -0.004 0.000 0.283 37 L C -1.237 175.690 176.870 0.096 0.000 1.013 37 L CA -0.811 54.050 54.840 0.035 0.000 0.816 37 L CB 1.465 43.578 42.059 0.090 0.000 1.236 37 L HN 0.716 nan 8.230 nan 0.000 0.419 38 W N 6.850 128.046 121.300 -0.173 0.000 2.318 38 W HA 0.319 4.976 4.660 -0.004 0.000 0.315 38 W C -1.513 175.036 176.519 0.050 0.000 1.033 38 W CA -1.519 55.736 57.345 -0.149 0.000 1.275 38 W CB 1.177 30.368 29.460 -0.448 0.000 1.250 38 W HN 0.343 nan 8.180 nan 0.000 0.421 39 F N 5.632 125.805 119.950 0.372 0.000 2.427 39 F HA 0.777 5.302 4.527 -0.003 0.000 0.346 39 F C 0.237 176.176 175.800 0.231 0.000 1.120 39 F CA 0.088 58.236 58.000 0.248 0.000 1.033 39 F CB 1.154 40.310 39.000 0.260 0.000 1.126 39 F HN 0.430 nan 8.300 nan 0.000 0.462 40 G N 3.863 112.361 108.800 -0.503 0.000 2.430 40 G HA2 0.173 4.130 3.960 -0.004 0.000 0.300 40 G HA3 0.173 4.130 3.960 -0.004 0.000 0.300 40 G C -2.455 171.748 174.900 -1.162 0.000 1.330 40 G CA -0.998 43.795 45.100 -0.511 0.000 0.813 40 G HN 0.736 nan 8.290 nan 0.000 0.487 41 W N 1.657 122.198 121.300 -1.265 0.000 2.253 41 W HA 0.440 5.097 4.660 -0.004 0.000 0.322 41 W C 1.654 177.648 176.519 -0.876 0.000 1.342 41 W CA 0.025 56.511 57.345 -1.432 0.000 1.218 41 W CB 1.299 30.353 29.460 -0.677 0.000 1.205 41 W HN 0.736 nan 8.180 nan 0.000 0.551 42 S N 3.452 118.549 115.700 -1.004 0.000 2.474 42 S HA 0.052 4.520 4.470 -0.004 0.000 0.235 42 S C 1.639 175.529 174.600 -1.185 0.000 0.997 42 S CA 0.940 58.612 58.200 -0.880 0.000 0.949 42 S CB -0.499 62.357 63.200 -0.573 0.000 0.766 42 S HN 1.718 nan 8.310 nan 0.000 0.517 43 G N 0.382 107.803 108.800 -2.299 0.000 2.175 43 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.244 43 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.244 43 G C -0.195 173.906 174.900 -1.332 0.000 0.982 43 G CA 0.239 43.893 45.100 -2.410 0.000 0.641 43 G HN 0.587 nan 8.290 nan 0.000 0.527 44 E N 0.637 120.394 120.200 -0.738 0.000 2.222 44 E HA 0.621 4.969 4.350 -0.004 0.000 0.267 44 E C 0.231 176.971 176.600 0.234 0.000 0.963 44 E CA 0.130 56.436 56.400 -0.158 0.000 0.837 44 E CB 1.838 31.433 29.700 -0.175 0.000 1.183 44 E HN 0.480 nan 8.360 nan 0.000 0.403 45 T N -2.490 112.170 114.554 0.178 0.000 2.932 45 T HA 0.729 5.077 4.350 -0.004 0.000 0.289 45 T C 0.437 175.191 174.700 0.090 0.000 1.039 45 T CA -0.038 62.170 62.100 0.181 0.000 1.024 45 T CB 1.755 70.717 68.868 0.156 0.000 1.090 45 T HN 0.778 nan 8.240 nan 0.000 0.496 46 G N 1.588 110.434 108.800 0.076 0.000 2.746 46 G HA2 -0.055 3.903 3.960 -0.004 0.000 0.685 46 G HA3 -0.055 3.903 3.960 -0.004 0.000 0.685 46 G C -0.097 174.829 174.900 0.043 0.000 1.350 46 G CA -0.210 44.917 45.100 0.045 0.000 0.837 46 G HN 1.615 nan 8.290 nan 0.000 0.564 47 N N -0.678 118.039 118.700 0.028 0.000 2.710 47 N HA -0.211 4.527 4.740 -0.004 0.000 0.249 47 N C 1.110 176.645 175.510 0.040 0.000 1.059 47 N CA 1.519 54.584 53.050 0.025 0.000 0.720 47 N CB -0.372 38.123 38.487 0.013 0.000 0.983 47 N HN 0.851 nan 8.380 nan 0.000 0.544 48 E N -0.397 119.831 120.200 0.047 0.000 2.333 48 E HA -0.117 4.231 4.350 -0.004 0.000 0.198 48 E C 0.598 177.226 176.600 0.047 0.000 1.007 48 E CA 0.987 57.423 56.400 0.060 0.000 0.845 48 E CB 0.095 29.819 29.700 0.040 0.000 0.766 48 E HN 0.463 nan 8.360 nan 0.000 0.507 49 D N 0.422 120.841 120.400 0.031 0.000 2.340 49 D HA 0.018 4.656 4.640 -0.004 0.000 0.217 49 D C 0.127 176.444 176.300 0.029 0.000 1.081 49 D CA 0.151 54.165 54.000 0.024 0.000 0.842 49 D CB 0.124 40.932 40.800 0.012 0.000 0.934 49 D HN 0.147 nan 8.370 nan 0.000 0.511 50 Q N 1.018 120.840 119.800 0.036 0.000 2.312 50 Q HA 0.285 4.623 4.340 -0.004 0.000 0.236 50 Q C -2.101 173.927 176.000 0.048 0.000 0.965 50 Q CA -1.505 54.318 55.803 0.032 0.000 0.894 50 Q CB 0.244 28.996 28.738 0.023 0.000 1.225 50 Q HN 0.013 nan 8.270 nan 0.000 0.478 51 P HA -0.021 nan 4.420 nan 0.000 0.268 51 P C -0.487 176.859 177.300 0.075 0.000 1.208 51 P CA -0.444 62.691 63.100 0.058 0.000 0.777 51 P CB 0.340 32.066 31.700 0.043 0.000 0.875 52 L N 2.282 123.572 121.223 0.112 0.000 2.593 52 L HA -0.068 4.270 4.340 -0.004 0.000 0.287 52 L C 0.924 177.841 176.870 0.078 0.000 1.243 52 L CA 0.962 55.882 54.840 0.134 0.000 0.890 52 L CB -0.920 41.260 42.059 0.201 0.000 1.134 52 L HN 0.349 nan 8.230 nan 0.000 0.502 53 K N 3.801 124.224 120.400 0.038 0.000 2.201 53 K HA 0.343 4.661 4.320 -0.004 0.000 0.278 53 K C -0.434 176.184 176.600 0.030 0.000 1.027 53 K CA -0.370 55.919 56.287 0.004 0.000 0.909 53 K CB 0.816 33.282 32.500 -0.057 0.000 1.062 53 K HN 0.401 nan 8.250 nan 0.000 0.465 54 K N 2.342 122.769 120.400 0.044 0.000 2.376 54 K HA 0.453 4.770 4.320 -0.004 0.000 0.257 54 K C -1.294 175.351 176.600 0.075 0.000 0.939 54 K CA -0.830 55.510 56.287 0.087 0.000 0.809 54 K CB 1.973 34.532 32.500 0.098 0.000 1.121 54 K HN 0.204 nan 8.250 nan 0.000 0.425 55 V N 2.183 122.176 119.914 0.131 0.000 2.709 55 V HA 0.416 4.534 4.120 -0.004 0.000 0.308 55 V C -0.722 175.534 176.094 0.271 0.000 1.062 55 V CA -1.040 61.330 62.300 0.117 0.000 0.901 55 V CB 1.945 33.757 31.823 -0.019 0.000 1.003 55 V HN 0.659 nan 8.190 nan 0.000 0.425 56 K N 3.073 123.596 120.400 0.204 0.000 2.323 56 K HA 0.596 4.914 4.320 -0.004 0.000 0.259 56 K C -0.930 175.810 176.600 0.233 0.000 0.947 56 K CA -0.707 55.723 56.287 0.237 0.000 0.819 56 K CB 1.428 34.011 32.500 0.140 0.000 1.109 56 K HN 0.707 nan 8.250 nan 0.000 0.429 57 K N 3.498 124.107 120.400 0.347 0.000 2.664 57 K HA 0.245 4.563 4.320 -0.004 0.000 0.234 57 K C -0.030 176.706 176.600 0.226 0.000 0.980 57 K CA 0.123 56.578 56.287 0.281 0.000 0.996 57 K CB 1.110 33.817 32.500 0.345 0.000 1.190 57 K HN 0.943 nan 8.250 nan 0.000 0.479 58 G N 3.611 112.493 108.800 0.136 0.000 2.574 58 G HA2 -0.410 3.548 3.960 -0.004 0.000 0.301 58 G HA3 -0.410 3.548 3.960 -0.004 0.000 0.301 58 G C 0.334 175.280 174.900 0.077 0.000 1.166 58 G CA 0.602 45.760 45.100 0.097 0.000 0.971 58 G HN 0.731 nan 8.290 nan 0.000 0.542 59 N N 1.497 120.231 118.700 0.058 0.000 2.270 59 N HA 0.209 4.947 4.740 -0.004 0.000 0.198 59 N C 0.663 176.163 175.510 -0.015 0.000 1.117 59 N CA 0.517 53.583 53.050 0.026 0.000 0.845 59 N CB 0.018 38.517 38.487 0.021 0.000 0.980 59 N HN 0.723 nan 8.380 nan 0.000 0.486 60 I N 0.572 121.123 120.570 -0.031 0.000 2.441 60 I HA 0.276 4.444 4.170 -0.004 0.000 0.295 60 I C -0.533 175.493 176.117 -0.152 0.000 0.994 60 I CA -0.631 60.541 61.300 -0.214 0.000 1.144 60 I CB 1.978 39.688 38.000 -0.485 0.000 1.314 60 I HN -0.189 nan 8.210 nan 0.000 0.445 61 T N 4.844 119.293 114.554 -0.175 0.000 2.792 61 T HA 0.377 4.724 4.350 -0.004 0.000 0.280 61 T C -0.759 173.928 174.700 -0.021 0.000 0.990 61 T CA -0.438 61.674 62.100 0.019 0.000 0.960 61 T CB 1.076 69.984 68.868 0.067 0.000 0.939 61 T HN 0.356 nan 8.240 nan 0.000 0.439 62 W N 2.023 123.369 121.300 0.077 0.000 2.469 62 W HA 0.649 5.307 4.660 -0.003 0.000 0.320 62 W C -0.137 176.396 176.519 0.024 0.000 1.086 62 W CA -1.073 56.289 57.345 0.028 0.000 1.211 62 W CB 1.483 30.885 29.460 -0.097 0.000 1.298 62 W HN 0.623 nan 8.180 nan 0.000 0.525 63 A N 2.808 125.769 122.820 0.236 0.000 2.340 63 A HA 0.590 4.908 4.320 -0.004 0.000 0.297 63 A C -0.398 177.205 177.584 0.030 0.000 1.195 63 A CA -0.442 51.715 52.037 0.199 0.000 0.769 63 A CB 0.950 20.156 19.000 0.342 0.000 1.163 63 A HN 0.437 nan 8.150 nan 0.000 0.472 64 S N 1.427 117.081 115.700 -0.076 0.000 2.568 64 S HA 0.923 5.391 4.470 -0.004 0.000 0.302 64 S C -0.469 174.020 174.600 -0.185 0.000 1.082 64 S CA -0.654 57.351 58.200 -0.325 0.000 1.009 64 S CB 1.195 64.159 63.200 -0.394 0.000 1.069 64 S HN 1.274 nan 8.310 nan 0.000 0.500 65 F N -0.226 119.621 119.950 -0.172 0.000 2.561 65 F HA 0.765 5.290 4.527 -0.003 0.000 0.321 65 F C -0.458 175.374 175.800 0.053 0.000 1.065 65 F CA -1.269 56.696 58.000 -0.058 0.000 0.934 65 F CB 0.532 39.491 39.000 -0.068 0.000 1.215 65 F HN 0.405 nan 8.300 nan 0.000 0.471 66 N N 1.006 119.874 118.700 0.279 0.000 2.476 66 N HA 0.566 5.303 4.740 -0.004 0.000 0.275 66 N C -1.385 174.355 175.510 0.382 0.000 1.190 66 N CA -0.392 52.843 53.050 0.309 0.000 0.977 66 N CB 1.150 39.728 38.487 0.152 0.000 1.200 66 N HN 0.478 nan 8.380 nan 0.000 0.515 67 L N 0.167 121.569 121.223 0.299 0.000 2.342 67 L HA 0.452 4.790 4.340 -0.004 0.000 0.271 67 L C 0.408 177.310 176.870 0.054 0.000 1.008 67 L CA -0.678 54.206 54.840 0.073 0.000 0.818 67 L CB 1.400 43.341 42.059 -0.197 0.000 1.296 67 L HN 0.730 nan 8.230 nan 0.000 0.427 68 S N 1.069 116.774 115.700 0.009 0.000 2.600 68 S HA 0.157 4.625 4.470 -0.004 0.000 0.265 68 S C 0.959 175.571 174.600 0.020 0.000 1.325 68 S CA -0.305 57.906 58.200 0.017 0.000 1.002 68 S CB 0.776 63.977 63.200 0.002 0.000 0.921 68 S HN 0.582 nan 8.310 nan 0.000 0.554 69 E N 0.706 120.926 120.200 0.033 0.000 2.097 69 E HA -0.207 4.141 4.350 -0.004 0.000 0.196 69 E C 2.023 178.647 176.600 0.039 0.000 1.000 69 E CA 1.671 58.095 56.400 0.041 0.000 0.804 69 E CB -0.482 29.241 29.700 0.039 0.000 0.740 69 E HN 0.870 nan 8.360 nan 0.000 0.454 70 Q N 0.016 119.834 119.800 0.029 0.000 2.079 70 Q HA -0.152 4.186 4.340 -0.004 0.000 0.200 70 Q C 1.466 177.490 176.000 0.041 0.000 0.974 70 Q CA 1.450 57.273 55.803 0.032 0.000 0.840 70 Q CB 0.120 28.870 28.738 0.019 0.000 0.898 70 Q HN 0.172 nan 8.270 nan 0.000 0.430 71 D N 0.605 121.015 120.400 0.016 0.000 2.097 71 D HA -0.168 4.469 4.640 -0.004 0.000 0.197 71 D C 1.880 178.233 176.300 0.088 0.000 0.984 71 D CA 0.536 54.545 54.000 0.015 0.000 0.826 71 D CB -0.304 40.450 40.800 -0.077 0.000 0.973 71 D HN 0.221 nan 8.370 nan 0.000 0.460 72 L N 1.021 122.260 121.223 0.027 0.000 2.013 72 L HA -0.244 4.094 4.340 -0.004 0.000 0.212 72 L C 1.986 178.950 176.870 0.155 0.000 1.073 72 L CA 1.926 56.783 54.840 0.027 0.000 0.753 72 L CB -0.469 41.567 42.059 -0.039 0.000 0.890 72 L HN -0.014 nan 8.230 nan 0.000 0.432 73 D N -0.551 119.921 120.400 0.120 0.000 2.097 73 D HA -0.217 4.421 4.640 -0.004 0.000 0.195 73 D C 2.073 178.457 176.300 0.139 0.000 0.989 73 D CA 1.603 55.675 54.000 0.120 0.000 0.827 73 D CB 0.195 41.046 40.800 0.085 0.000 0.966 73 D HN 0.409 nan 8.370 nan 0.000 0.456 74 E N -1.582 118.712 120.200 0.156 0.000 2.086 74 E HA -0.106 4.242 4.350 -0.004 0.000 0.190 74 E C 1.828 178.604 176.600 0.294 0.000 0.975 74 E CA 0.544 57.052 56.400 0.179 0.000 0.813 74 E CB -0.160 29.619 29.700 0.132 0.000 0.768 74 E HN 0.476 nan 8.360 nan 0.000 0.457 75 Y N -0.507 119.905 120.300 0.187 0.000 2.231 75 Y HA -0.187 4.361 4.550 -0.003 0.000 0.294 75 Y C 1.990 178.126 175.900 0.393 0.000 1.120 75 Y CA 1.197 59.485 58.100 0.313 0.000 1.141 75 Y CB -0.146 38.413 38.460 0.166 0.000 1.022 75 Y HN 0.029 nan 8.280 nan 0.000 0.523 76 Y N 0.760 121.022 120.300 -0.063 0.000 2.222 76 Y HA 0.077 4.624 4.550 -0.004 0.000 0.290 76 Y C 1.990 177.873 175.900 -0.028 0.000 1.123 76 Y CA 1.885 59.861 58.100 -0.208 0.000 1.120 76 Y CB -0.783 37.539 38.460 -0.230 0.000 1.060 76 Y HN 0.144 nan 8.280 nan 0.000 0.508 77 N N -0.523 118.164 118.700 -0.021 0.000 2.188 77 N HA -0.143 4.595 4.740 -0.004 0.000 0.184 77 N C 1.670 177.152 175.510 -0.047 0.000 1.018 77 N CA 1.425 54.407 53.050 -0.113 0.000 0.858 77 N CB 0.004 38.503 38.487 0.019 0.000 0.989 77 N HN 0.497 nan 8.380 nan 0.000 0.426 78 Q N -0.271 119.555 119.800 0.043 0.000 2.042 78 Q HA 0.023 4.360 4.340 -0.004 0.000 0.194 78 Q C 1.478 177.518 176.000 0.067 0.000 0.978 78 Q CA 0.715 56.557 55.803 0.065 0.000 0.828 78 Q CB -0.213 28.588 28.738 0.104 0.000 0.901 78 Q HN 0.244 nan 8.270 nan 0.000 0.461 79 F N 1.396 121.355 119.950 0.015 0.000 2.084 79 F HA -0.175 4.350 4.527 -0.003 0.000 0.296 79 F C 2.465 178.214 175.800 -0.085 0.000 1.111 79 F CA 1.496 59.476 58.000 -0.033 0.000 1.224 79 F CB -0.107 38.867 39.000 -0.043 0.000 0.991 79 F HN -0.036 nan 8.300 nan 0.000 0.471 80 S N 0.303 116.040 115.700 0.061 0.000 2.355 80 S HA -0.164 4.304 4.470 -0.004 0.000 0.222 80 S C 1.603 176.203 174.600 0.001 0.000 1.031 80 S CA 1.530 59.758 58.200 0.047 0.000 0.993 80 S CB -0.371 62.872 63.200 0.071 0.000 0.859 80 S HN 0.392 nan 8.310 nan 0.000 0.453 81 N N 0.926 119.570 118.700 -0.092 0.000 2.405 81 N HA 0.235 4.973 4.740 -0.004 0.000 0.175 81 N C 0.943 176.489 175.510 0.060 0.000 1.051 81 N CA 0.779 53.780 53.050 -0.082 0.000 0.899 81 N CB 0.005 38.301 38.487 -0.319 0.000 1.000 81 N HN 0.391 nan 8.380 nan 0.000 0.451 82 A N -0.658 122.160 122.820 -0.003 0.000 2.508 82 A HA 0.424 4.742 4.320 -0.004 0.000 0.257 82 A C 1.250 178.798 177.584 -0.060 0.000 1.226 82 A CA -0.093 51.961 52.037 0.028 0.000 0.947 82 A CB 0.512 19.531 19.000 0.031 0.000 1.079 82 A HN 0.019 nan 8.150 nan 0.000 0.531 83 V N -1.141 118.651 119.914 -0.204 0.000 3.278 83 V HA 0.108 4.226 4.120 -0.004 0.000 0.215 83 V C 2.098 177.990 176.094 -0.337 0.000 1.287 83 V CA 0.598 62.688 62.300 -0.350 0.000 1.302 83 V CB -0.676 30.666 31.823 -0.802 0.000 1.228 83 V HN 0.411 nan 8.190 nan 0.000 0.523 84 L N -0.320 120.622 121.223 -0.468 0.000 2.023 84 L HA -0.127 4.211 4.340 -0.004 0.000 0.205 84 L C 2.448 179.089 176.870 -0.381 0.000 1.073 84 L CA 2.103 56.653 54.840 -0.483 0.000 0.745 84 L CB -0.506 41.236 42.059 -0.527 0.000 0.900 84 L HN 0.572 nan 8.230 nan 0.000 0.435 85 W N 3.027 124.065 121.300 -0.435 0.000 2.315 85 W HA -0.162 4.496 4.660 -0.003 0.000 0.323 85 W C -0.671 175.909 176.519 0.102 0.000 1.233 85 W CA 2.034 59.214 57.345 -0.274 0.000 1.267 85 W CB -1.525 27.780 29.460 -0.258 0.000 1.160 85 W HN 0.109 nan 8.180 nan 0.000 0.474 86 P HA -0.140 nan 4.420 nan 0.000 0.216 86 P C 1.603 178.962 177.300 0.099 0.000 1.153 86 P CA 3.006 66.253 63.100 0.245 0.000 0.848 86 P CB -0.407 31.398 31.700 0.174 0.000 0.787 87 A N -0.334 122.511 122.820 0.042 0.000 1.877 87 A HA -0.132 4.186 4.320 -0.004 0.000 0.216 87 A C 2.181 179.789 177.584 0.040 0.000 1.186 87 A CA 1.302 53.349 52.037 0.018 0.000 0.620 87 A CB -1.843 17.173 19.000 0.026 0.000 0.822 87 A HN 0.133 nan 8.150 nan 0.000 0.443 88 F N -1.237 118.554 119.950 -0.264 0.000 2.451 88 F HA -0.109 4.416 4.527 -0.004 0.000 0.299 88 F C 1.502 177.046 175.800 -0.427 0.000 1.101 88 F CA 0.692 58.466 58.000 -0.376 0.000 1.436 88 F CB -0.049 38.703 39.000 -0.413 0.000 1.074 88 F HN 0.322 nan 8.300 nan 0.000 0.553 89 H N -1.845 117.183 119.070 -0.071 0.000 2.524 89 H HA 0.158 4.713 4.556 -0.003 0.000 0.299 89 H C -0.680 174.777 175.328 0.214 0.000 1.074 89 H CA -0.395 55.653 56.048 -0.001 0.000 1.115 89 H CB -0.678 28.933 29.762 -0.250 0.000 1.522 89 H HN 0.121 nan 8.280 nan 0.000 0.543 90 Y N 0.102 120.384 120.300 -0.029 0.000 3.389 90 Y HA -0.280 4.267 4.550 -0.004 0.000 0.213 90 Y C 0.164 176.049 175.900 -0.025 0.000 1.272 90 Y CA -0.045 58.028 58.100 -0.045 0.000 1.444 90 Y CB -0.979 37.437 38.460 -0.074 0.000 1.445 90 Y HN 0.331 nan 8.280 nan 0.000 0.583 91 R N 0.431 120.979 120.500 0.079 0.000 2.886 91 R HA 0.218 4.556 4.340 -0.004 0.000 0.306 91 R C 0.746 177.023 176.300 -0.038 0.000 1.300 91 R CA -0.487 55.624 56.100 0.017 0.000 1.441 91 R CB 0.414 30.724 30.300 0.016 0.000 1.328 91 R HN 0.226 nan 8.270 nan 0.000 0.629 92 L N 1.621 122.811 121.223 -0.055 0.000 2.129 92 L HA -0.216 4.122 4.340 -0.004 0.000 0.212 92 L C 2.035 178.861 176.870 -0.072 0.000 1.087 92 L CA 1.991 56.785 54.840 -0.077 0.000 0.757 92 L CB -0.461 41.543 42.059 -0.092 0.000 0.896 92 L HN 0.430 nan 8.230 nan 0.000 0.434 93 D N -1.741 118.615 120.400 -0.073 0.000 2.309 93 D HA -0.208 4.430 4.640 -0.004 0.000 0.212 93 D C 1.798 178.041 176.300 -0.095 0.000 0.968 93 D CA 0.744 54.698 54.000 -0.077 0.000 0.882 93 D CB 0.016 40.771 40.800 -0.075 0.000 0.918 93 D HN 0.236 nan 8.370 nan 0.000 0.503 94 L N 0.843 121.994 121.223 -0.119 0.000 2.590 94 L HA 0.161 4.499 4.340 -0.004 0.000 0.227 94 L C 0.865 177.688 176.870 -0.078 0.000 1.099 94 L CA -0.098 54.652 54.840 -0.149 0.000 0.872 94 L CB 0.305 42.182 42.059 -0.303 0.000 1.088 94 L HN 0.002 nan 8.230 nan 0.000 0.479 95 V N 0.083 119.964 119.914 -0.055 0.000 2.740 95 V HA 0.188 4.306 4.120 -0.004 0.000 0.303 95 V C 0.232 176.326 176.094 -0.000 0.000 1.054 95 V CA -0.155 62.126 62.300 -0.032 0.000 1.106 95 V CB 1.068 32.862 31.823 -0.048 0.000 0.957 95 V HN 0.407 nan 8.190 nan 0.000 0.486 96 Q N 4.917 124.727 119.800 0.017 0.000 2.928 96 Q HA 0.407 4.745 4.340 -0.004 0.000 0.353 96 Q C -0.937 175.104 176.000 0.068 0.000 0.870 96 Q CA -0.335 55.490 55.803 0.037 0.000 0.963 96 Q CB 0.475 29.224 28.738 0.017 0.000 1.419 96 Q HN 0.882 nan 8.270 nan 0.000 0.396 97 F N 1.236 121.178 119.950 -0.014 0.000 2.467 97 F HA 0.379 4.903 4.527 -0.004 0.000 0.362 97 F C -0.154 175.693 175.800 0.079 0.000 1.090 97 F CA 0.481 58.505 58.000 0.039 0.000 1.202 97 F CB 0.476 39.480 39.000 0.006 0.000 1.113 97 F HN 0.235 nan 8.300 nan 0.000 0.541 98 Q N 5.070 124.499 119.800 -0.617 0.000 2.389 98 Q HA 0.321 4.659 4.340 -0.004 0.000 0.277 98 Q C 0.674 176.299 176.000 -0.624 0.000 1.082 98 Q CA -1.077 54.460 55.803 -0.443 0.000 0.810 98 Q CB 2.196 30.857 28.738 -0.129 0.000 1.374 98 Q HN 0.604 nan 8.270 nan 0.000 0.422 99 R N 0.999 121.325 120.500 -0.289 0.000 2.091 99 R HA -0.116 4.222 4.340 -0.004 0.000 0.238 99 R C -1.052 175.253 176.300 0.007 0.000 1.136 99 R CA 1.781 57.843 56.100 -0.064 0.000 0.959 99 R CB -1.163 29.208 30.300 0.117 0.000 0.856 99 R HN 0.492 nan 8.270 nan 0.000 0.437 100 P HA -0.088 nan 4.420 nan 0.000 0.218 100 P C 0.959 178.275 177.300 0.026 0.000 1.148 100 P CA 1.673 64.782 63.100 0.015 0.000 0.822 100 P CB -0.109 31.599 31.700 0.014 0.000 0.784 101 A N -0.952 121.883 122.820 0.025 0.000 1.898 101 A HA -0.182 4.136 4.320 -0.004 0.000 0.216 101 A C 2.220 179.882 177.584 0.131 0.000 1.181 101 A CA 1.144 53.253 52.037 0.120 0.000 0.620 101 A CB -1.919 17.181 19.000 0.167 0.000 0.819 101 A HN 0.319 nan 8.150 nan 0.000 0.442 102 W N 1.160 122.344 121.300 -0.193 0.000 2.355 102 W HA -0.190 4.468 4.660 -0.004 0.000 0.309 102 W C 0.988 177.415 176.519 -0.154 0.000 1.206 102 W CA 1.775 58.892 57.345 -0.382 0.000 1.284 102 W CB -0.219 29.122 29.460 -0.198 0.000 1.145 102 W HN 0.390 nan 8.180 nan 0.000 0.502 103 D N 0.170 120.477 120.400 -0.154 0.000 2.149 103 D HA -0.137 4.501 4.640 -0.004 0.000 0.198 103 D C 2.347 178.533 176.300 -0.189 0.000 0.990 103 D CA 2.006 55.871 54.000 -0.225 0.000 0.839 103 D CB -1.101 39.661 40.800 -0.063 0.000 0.948 103 D HN 0.323 nan 8.370 nan 0.000 0.460 104 G N -0.366 108.392 108.800 -0.070 0.000 2.402 104 G HA2 -0.302 3.656 3.960 -0.004 0.000 0.216 104 G HA3 -0.302 3.656 3.960 -0.004 0.000 0.216 104 G C 1.597 176.512 174.900 0.024 0.000 1.162 104 G CA 0.513 45.609 45.100 -0.007 0.000 0.777 104 G HN 0.271 nan 8.290 nan 0.000 0.539 105 Y N 1.222 121.461 120.300 -0.100 0.000 2.128 105 Y HA -0.088 4.460 4.550 -0.004 0.000 0.284 105 Y C 2.558 178.347 175.900 -0.185 0.000 1.154 105 Y CA 1.439 59.524 58.100 -0.025 0.000 1.149 105 Y CB -0.232 38.071 38.460 -0.262 0.000 0.976 105 Y HN 0.110 nan 8.280 nan 0.000 0.505 106 L N -0.405 120.558 121.223 -0.434 0.000 2.056 106 L HA -0.201 4.137 4.340 -0.004 0.000 0.207 106 L C 2.734 179.423 176.870 -0.302 0.000 1.078 106 L CA 1.628 56.186 54.840 -0.470 0.000 0.749 106 L CB -0.615 41.093 42.059 -0.585 0.000 0.901 106 L HN 0.135 nan 8.230 nan 0.000 0.433 107 R N 0.228 120.582 120.500 -0.245 0.000 2.083 107 R HA -0.191 4.147 4.340 -0.004 0.000 0.237 107 R C 2.360 178.531 176.300 -0.215 0.000 1.137 107 R CA 2.092 58.079 56.100 -0.188 0.000 0.951 107 R CB -0.317 29.900 30.300 -0.140 0.000 0.851 107 R HN 0.348 nan 8.270 nan 0.000 0.434 108 V N 0.406 120.155 119.914 -0.275 0.000 2.453 108 V HA -0.152 3.966 4.120 -0.004 0.000 0.247 108 V C 1.659 177.531 176.094 -0.370 0.000 1.048 108 V CA 1.884 63.932 62.300 -0.419 0.000 1.049 108 V CB -0.572 30.827 31.823 -0.707 0.000 0.672 108 V HN 0.377 nan 8.190 nan 0.000 0.457 109 N N 1.016 119.540 118.700 -0.294 0.000 2.094 109 N HA -0.185 4.553 4.740 -0.004 0.000 0.191 109 N C 1.976 177.488 175.510 0.003 0.000 1.023 109 N CA 1.967 54.986 53.050 -0.050 0.000 0.857 109 N CB -0.290 38.156 38.487 -0.069 0.000 1.013 109 N HN 0.674 nan 8.380 nan 0.000 0.426 110 A N 2.002 124.753 122.820 -0.115 0.000 1.873 110 A HA -0.081 4.236 4.320 -0.004 0.000 0.215 110 A C 2.284 179.801 177.584 -0.112 0.000 1.186 110 A CA 0.737 52.700 52.037 -0.124 0.000 0.616 110 A CB -0.760 18.159 19.000 -0.135 0.000 0.823 110 A HN 0.263 nan 8.150 nan 0.000 0.442 111 L N -0.877 120.265 121.223 -0.136 0.000 2.012 111 L HA -0.175 4.163 4.340 -0.004 0.000 0.210 111 L C 2.373 179.172 176.870 -0.119 0.000 1.073 111 L CA 1.758 56.512 54.840 -0.143 0.000 0.748 111 L CB -0.495 41.445 42.059 -0.198 0.000 0.891 111 L HN 0.316 nan 8.230 nan 0.000 0.431 112 L N 0.216 121.376 121.223 -0.106 0.000 2.083 112 L HA -0.126 4.212 4.340 -0.004 0.000 0.209 112 L C 2.866 179.893 176.870 0.262 0.000 1.083 112 L CA 1.928 56.783 54.840 0.025 0.000 0.752 112 L CB -1.423 40.647 42.059 0.018 0.000 0.899 112 L HN 0.262 nan 8.230 nan 0.000 0.433 113 A N -0.970 121.970 122.820 0.201 0.000 1.933 113 A HA -0.199 4.119 4.320 -0.004 0.000 0.218 113 A C 2.022 179.535 177.584 -0.119 0.000 1.175 113 A CA 1.725 53.688 52.037 -0.125 0.000 0.628 113 A CB -0.523 18.199 19.000 -0.464 0.000 0.814 113 A HN 0.397 nan 8.150 nan 0.000 0.444 114 D N -0.299 120.048 120.400 -0.088 0.000 2.144 114 D HA -0.104 4.534 4.640 -0.004 0.000 0.199 114 D C 1.888 178.157 176.300 -0.052 0.000 0.984 114 D CA 1.240 55.192 54.000 -0.080 0.000 0.834 114 D CB -0.174 40.584 40.800 -0.072 0.000 0.955 114 D HN 0.474 nan 8.370 nan 0.000 0.465 115 K N 0.189 120.581 120.400 -0.014 0.000 2.155 115 K HA 0.028 4.346 4.320 -0.004 0.000 0.203 115 K C 2.133 178.709 176.600 -0.039 0.000 1.052 115 K CA 0.136 56.455 56.287 0.053 0.000 0.948 115 K CB 0.100 32.707 32.500 0.178 0.000 0.728 115 K HN 0.100 nan 8.250 nan 0.000 0.448 116 L N 1.258 122.334 121.223 -0.244 0.000 2.109 116 L HA -0.119 4.219 4.340 -0.004 0.000 0.207 116 L C 2.148 178.880 176.870 -0.230 0.000 1.086 116 L CA 0.830 55.355 54.840 -0.524 0.000 0.760 116 L CB -0.243 41.488 42.059 -0.547 0.000 0.910 116 L HN 0.303 nan 8.230 nan 0.000 0.437 117 L N 0.557 121.689 121.223 -0.151 0.000 2.010 117 L HA -0.244 4.094 4.340 -0.004 0.000 0.219 117 L C -0.308 176.519 176.870 -0.072 0.000 1.077 117 L CA 2.181 56.956 54.840 -0.108 0.000 0.773 117 L CB -1.676 40.323 42.059 -0.100 0.000 0.892 117 L HN 0.261 nan 8.230 nan 0.000 0.436 118 P HA -0.119 nan 4.420 nan 0.000 0.225 118 P C 1.626 178.917 177.300 -0.015 0.000 1.148 118 P CA 1.074 64.159 63.100 -0.025 0.000 0.779 118 P CB 0.065 31.761 31.700 -0.007 0.000 0.780 119 L N -2.156 119.050 121.223 -0.028 0.000 2.418 119 L HA 0.066 4.404 4.340 -0.004 0.000 0.218 119 L C 1.061 177.928 176.870 -0.006 0.000 1.125 119 L CA 0.064 54.901 54.840 -0.005 0.000 0.835 119 L CB -0.417 41.641 42.059 -0.003 0.000 0.953 119 L HN -0.026 nan 8.230 nan 0.000 0.454 120 L N 0.352 121.560 121.223 -0.024 0.000 2.395 120 L HA 0.197 4.535 4.340 -0.004 0.000 0.269 120 L C -0.085 176.783 176.870 -0.003 0.000 1.133 120 L CA -0.007 54.826 54.840 -0.012 0.000 0.812 120 L CB 0.835 42.879 42.059 -0.025 0.000 1.125 120 L HN 0.150 nan 8.230 nan 0.000 0.452 121 Q N 0.761 120.565 119.800 0.007 0.000 2.351 121 Q HA 0.184 4.521 4.340 -0.004 0.000 0.273 121 Q C -0.139 175.865 176.000 0.006 0.000 1.077 121 Q CA -0.965 54.841 55.803 0.006 0.000 0.843 121 Q CB 1.999 30.744 28.738 0.012 0.000 1.367 121 Q HN 0.460 nan 8.270 nan 0.000 0.449 122 D N 1.108 121.509 120.400 0.002 0.000 2.157 122 D HA -0.238 4.400 4.640 -0.004 0.000 0.191 122 D C 0.968 177.273 176.300 0.008 0.000 1.004 122 D CA 1.549 55.550 54.000 0.002 0.000 0.854 122 D CB 0.037 40.837 40.800 0.000 0.000 0.936 122 D HN 0.563 nan 8.370 nan 0.000 0.446 123 D N 0.873 121.279 120.400 0.010 0.000 2.157 123 D HA -0.128 4.510 4.640 -0.004 0.000 0.191 123 D C 0.109 176.421 176.300 0.020 0.000 1.004 123 D CA 0.960 54.968 54.000 0.013 0.000 0.854 123 D CB -0.340 40.468 40.800 0.015 0.000 0.936 123 D HN 0.272 nan 8.370 nan 0.000 0.446 124 D N 0.067 120.483 120.400 0.026 0.000 2.478 124 D HA 0.059 4.696 4.640 -0.004 0.000 0.234 124 D C 0.199 176.529 176.300 0.050 0.000 1.154 124 D CA 0.369 54.394 54.000 0.041 0.000 0.874 124 D CB 0.716 41.545 40.800 0.048 0.000 1.198 124 D HN 0.078 nan 8.370 nan 0.000 0.455 125 I N 2.521 123.129 120.570 0.063 0.000 2.330 125 I HA 0.250 4.417 4.170 -0.004 0.000 0.289 125 I C -0.092 176.106 176.117 0.136 0.000 1.001 125 I CA -0.388 60.956 61.300 0.074 0.000 1.193 125 I CB 0.887 38.912 38.000 0.041 0.000 1.345 125 I HN 0.096 nan 8.210 nan 0.000 0.461 126 I N 6.112 126.788 120.570 0.176 0.000 2.354 126 I HA 0.267 4.435 4.170 -0.004 0.000 0.292 126 I C -1.166 175.179 176.117 0.381 0.000 0.989 126 I CA -0.499 60.958 61.300 0.261 0.000 1.188 126 I CB 1.483 39.628 38.000 0.242 0.000 1.342 126 I HN 0.548 nan 8.210 nan 0.000 0.457 127 W N 8.628 130.033 121.300 0.175 0.000 2.463 127 W HA 0.504 5.162 4.660 -0.003 0.000 0.316 127 W C -1.470 175.125 176.519 0.125 0.000 1.004 127 W CA -1.091 56.316 57.345 0.103 0.000 1.309 127 W CB 0.969 30.415 29.460 -0.023 0.000 1.288 127 W HN 0.153 nan 8.180 nan 0.000 0.423 128 I N 6.131 126.991 120.570 0.484 0.000 2.392 128 I HA 0.261 4.429 4.170 -0.004 0.000 0.295 128 I C 0.189 176.323 176.117 0.029 0.000 0.985 128 I CA -0.709 60.832 61.300 0.402 0.000 1.221 128 I CB 1.170 39.620 38.000 0.750 0.000 1.366 128 I HN 0.312 nan 8.210 nan 0.000 0.467 129 H N 4.413 123.550 119.070 0.110 0.000 2.505 129 H HA 0.369 4.923 4.556 -0.003 0.000 0.338 129 H C -0.708 174.709 175.328 0.148 0.000 1.057 129 H CA -0.385 55.675 56.048 0.021 0.000 1.202 129 H CB 1.959 31.720 29.762 -0.002 0.000 1.466 129 H HN 0.594 nan 8.280 nan 0.000 0.499 130 D N 0.446 120.941 120.400 0.157 0.000 10.639 130 D HA -0.226 4.412 4.640 -0.004 0.000 0.356 130 D C 0.716 177.324 176.300 0.514 0.000 3.104 130 D CA 0.671 54.885 54.000 0.357 0.000 2.568 130 D CB -0.382 40.581 40.800 0.272 0.000 1.215 130 D HN 0.681 nan 8.370 nan 0.000 0.959 131 Y N -0.273 120.276 120.300 0.414 0.000 2.483 131 Y HA 0.036 4.583 4.550 -0.004 0.000 0.291 131 Y C 2.037 178.121 175.900 0.307 0.000 1.143 131 Y CA 1.800 60.066 58.100 0.277 0.000 1.289 131 Y CB -0.836 37.574 38.460 -0.084 0.000 0.983 131 Y HN 0.468 nan 8.280 nan 0.000 0.556 132 H N 0.543 119.644 119.070 0.051 0.000 2.489 132 H HA 0.064 4.617 4.556 -0.004 0.000 0.293 132 H C 0.806 176.404 175.328 0.449 0.000 1.066 132 H CA 1.576 57.792 56.048 0.280 0.000 1.305 132 H CB -0.170 29.636 29.762 0.074 0.000 1.386 132 H HN 0.412 nan 8.280 nan 0.000 0.551 133 L N 0.363 121.923 121.223 0.563 0.000 3.202 133 L HA 0.177 4.515 4.340 -0.004 0.000 0.278 133 L C 0.795 177.980 176.870 0.525 0.000 1.268 133 L CA -0.089 55.042 54.840 0.484 0.000 1.034 133 L CB 0.388 42.683 42.059 0.393 0.000 1.407 133 L HN 0.190 nan 8.230 nan 0.000 0.581 134 L N 0.695 122.221 121.223 0.506 0.000 2.021 134 L HA -0.169 4.169 4.340 -0.004 0.000 0.215 134 L C -0.462 176.621 176.870 0.353 0.000 1.074 134 L CA 1.604 56.652 54.840 0.347 0.000 0.760 134 L CB -1.523 40.836 42.059 0.501 0.000 0.889 134 L HN 0.325 nan 8.230 nan 0.000 0.433 135 P HA -0.094 nan 4.420 nan 0.000 0.245 135 P C 1.219 178.640 177.300 0.201 0.000 1.212 135 P CA 0.616 63.843 63.100 0.212 0.000 0.774 135 P CB -0.020 31.735 31.700 0.091 0.000 0.999 136 F N 1.564 121.589 119.950 0.125 0.000 2.113 136 F HA -0.090 4.435 4.527 -0.003 0.000 0.297 136 F C 2.309 178.084 175.800 -0.041 0.000 1.103 136 F CA 1.363 59.418 58.000 0.093 0.000 1.248 136 F CB -0.855 38.293 39.000 0.246 0.000 0.999 136 F HN -0.076 nan 8.300 nan 0.000 0.475 137 A N -0.630 122.052 122.820 -0.231 0.000 1.917 137 A HA -0.306 4.012 4.320 -0.004 0.000 0.219 137 A C 2.391 179.780 177.584 -0.325 0.000 1.182 137 A CA 2.042 53.764 52.037 -0.525 0.000 0.633 137 A CB -1.513 16.697 19.000 -1.317 0.000 0.819 137 A HN 0.652 nan 8.150 nan 0.000 0.448 138 H N -0.495 118.394 119.070 -0.300 0.000 2.352 138 H HA -0.123 4.431 4.556 -0.004 0.000 0.299 138 H C 1.838 177.041 175.328 -0.209 0.000 1.097 138 H CA 1.784 57.712 56.048 -0.200 0.000 1.311 138 H CB 0.074 29.763 29.762 -0.122 0.000 1.377 138 H HN 0.428 nan 8.280 nan 0.000 0.504 139 E N 0.897 120.937 120.200 -0.268 0.000 2.077 139 E HA -0.124 4.224 4.350 -0.004 0.000 0.193 139 E C 2.748 179.101 176.600 -0.411 0.000 0.989 139 E CA 0.535 56.723 56.400 -0.353 0.000 0.800 139 E CB -0.346 29.152 29.700 -0.338 0.000 0.746 139 E HN 0.529 nan 8.360 nan 0.000 0.452 140 L N 0.655 121.593 121.223 -0.476 0.000 2.083 140 L HA -0.158 4.179 4.340 -0.004 0.000 0.209 140 L C 2.501 179.211 176.870 -0.268 0.000 1.083 140 L CA 0.915 55.526 54.840 -0.381 0.000 0.752 140 L CB -0.361 41.479 42.059 -0.365 0.000 0.899 140 L HN -0.000 nan 8.230 nan 0.000 0.433 141 R N 1.196 121.536 120.500 -0.267 0.000 2.081 141 R HA -0.143 4.195 4.340 -0.004 0.000 0.235 141 R C 2.087 178.252 176.300 -0.225 0.000 1.131 141 R CA 1.390 57.364 56.100 -0.211 0.000 0.960 141 R CB -0.707 29.479 30.300 -0.189 0.000 0.856 141 R HN 0.532 nan 8.270 nan 0.000 0.436 142 K N 0.412 120.625 120.400 -0.312 0.000 2.439 142 K HA -0.035 4.283 4.320 -0.004 0.000 0.197 142 K C 1.324 177.811 176.600 -0.189 0.000 1.041 142 K CA 0.974 57.105 56.287 -0.260 0.000 0.970 142 K CB -0.018 32.292 32.500 -0.317 0.000 0.773 142 K HN 0.008 nan 8.250 nan 0.000 0.479 143 R N 0.216 120.601 120.500 -0.193 0.000 2.334 143 R HA 0.087 4.425 4.340 -0.004 0.000 0.220 143 R C 0.536 176.763 176.300 -0.121 0.000 0.917 143 R CA 0.503 56.512 56.100 -0.152 0.000 1.073 143 R CB 0.461 30.661 30.300 -0.167 0.000 1.056 143 R HN 0.545 nan 8.270 nan 0.000 0.506 144 G N 0.786 109.515 108.800 -0.119 0.000 2.141 144 G HA2 -0.262 3.695 3.960 -0.004 0.000 0.242 144 G HA3 -0.262 3.695 3.960 -0.004 0.000 0.242 144 G C 0.042 174.895 174.900 -0.078 0.000 0.982 144 G CA 0.190 45.237 45.100 -0.087 0.000 0.662 144 G HN 0.307 nan 8.290 nan 0.000 0.527 145 V N -0.356 119.500 119.914 -0.097 0.000 2.427 145 V HA 0.630 4.747 4.120 -0.004 0.000 0.268 145 V C 0.817 176.878 176.094 -0.055 0.000 1.046 145 V CA 0.088 62.343 62.300 -0.074 0.000 0.970 145 V CB 1.101 32.875 31.823 -0.082 0.000 1.001 145 V HN 0.167 nan 8.190 nan 0.000 0.476 146 N N 4.580 123.261 118.700 -0.032 0.000 2.236 146 N HA 0.145 4.883 4.740 -0.004 0.000 0.196 146 N C 0.442 175.953 175.510 0.002 0.000 1.114 146 N CA 0.077 53.118 53.050 -0.015 0.000 0.859 146 N CB -0.086 38.393 38.487 -0.012 0.000 0.982 146 N HN 0.753 nan 8.380 nan 0.000 0.493 147 N N 1.372 120.075 118.700 0.005 0.000 2.344 147 N HA -0.005 4.732 4.740 -0.004 0.000 0.236 147 N C 0.122 175.656 175.510 0.041 0.000 1.279 147 N CA 0.314 53.378 53.050 0.023 0.000 0.882 147 N CB 0.759 39.265 38.487 0.033 0.000 1.110 147 N HN -0.021 nan 8.380 nan 0.000 0.436 148 R N 1.146 121.673 120.500 0.045 0.000 2.484 148 R HA 0.199 4.536 4.340 -0.004 0.000 0.293 148 R C -0.232 176.134 176.300 0.109 0.000 1.023 148 R CA 0.505 56.641 56.100 0.060 0.000 1.037 148 R CB 0.068 30.385 30.300 0.028 0.000 0.951 148 R HN 0.432 nan 8.270 nan 0.000 0.418 149 I N 1.782 122.449 120.570 0.162 0.000 2.447 149 I HA 0.378 4.546 4.170 -0.004 0.000 0.287 149 I C 0.522 176.882 176.117 0.404 0.000 1.023 149 I CA -0.762 60.711 61.300 0.289 0.000 1.083 149 I CB 2.204 40.369 38.000 0.276 0.000 1.245 149 I HN 0.634 nan 8.210 nan 0.000 0.434 150 G N 4.743 113.783 108.800 0.401 0.000 2.417 150 G HA2 0.669 4.627 3.960 -0.004 0.000 0.334 150 G HA3 0.669 4.627 3.960 -0.004 0.000 0.334 150 G C -1.707 173.481 174.900 0.480 0.000 1.150 150 G CA -0.364 44.972 45.100 0.394 0.000 0.923 150 G HN 0.409 nan 8.290 nan 0.000 0.485 151 F N 1.110 121.085 119.950 0.042 0.000 2.532 151 F HA 0.780 5.305 4.527 -0.004 0.000 0.321 151 F C -1.632 174.169 175.800 0.003 0.000 1.089 151 F CA -1.920 55.911 58.000 -0.281 0.000 0.926 151 F CB 2.180 40.460 39.000 -1.200 0.000 1.168 151 F HN 0.371 nan 8.300 nan 0.000 0.459 152 F N 7.306 126.667 119.950 -0.982 0.000 2.518 152 F HA 0.518 5.042 4.527 -0.004 0.000 0.323 152 F C -1.915 173.334 175.800 -0.918 0.000 1.129 152 F CA -0.862 56.697 58.000 -0.736 0.000 0.920 152 F CB 1.270 40.004 39.000 -0.444 0.000 1.160 152 F HN 0.421 nan 8.300 nan 0.000 0.440 153 L N 7.181 127.641 121.223 -1.272 0.000 2.257 153 L HA 0.284 4.622 4.340 -0.004 0.000 0.290 153 L C 0.563 177.192 176.870 -0.403 0.000 1.044 153 L CA -0.242 54.297 54.840 -0.502 0.000 0.810 153 L CB 0.879 42.893 42.059 -0.075 0.000 1.193 153 L HN 0.826 nan 8.230 nan 0.000 0.425 154 H N 5.405 124.542 119.070 0.111 0.000 2.548 154 H HA 0.104 4.657 4.556 -0.004 0.000 0.268 154 H C 0.434 175.951 175.328 0.314 0.000 0.975 154 H CA 0.415 56.672 56.048 0.348 0.000 1.195 154 H CB 0.810 30.847 29.762 0.458 0.000 1.397 154 H HN 0.575 nan 8.280 nan 0.000 0.572 155 I N -1.770 119.032 120.570 0.386 0.000 3.133 155 I HA 0.517 4.685 4.170 -0.004 0.000 0.311 155 I C -2.825 173.393 176.117 0.168 0.000 1.072 155 I CA -2.931 58.508 61.300 0.232 0.000 1.015 155 I CB 1.701 39.771 38.000 0.116 0.000 1.233 155 I HN -0.334 nan 8.210 nan 0.000 0.473 156 P HA 0.148 nan 4.420 nan 0.000 0.272 156 P C -1.374 176.002 177.300 0.128 0.000 1.230 156 P CA 0.219 63.366 63.100 0.078 0.000 0.788 156 P CB 0.255 31.946 31.700 -0.015 0.000 0.949 157 F N 3.578 123.551 119.950 0.038 0.000 2.411 157 F HA 0.432 4.957 4.527 -0.003 0.000 0.352 157 F C -2.151 173.510 175.800 -0.232 0.000 1.123 157 F CA -2.512 55.387 58.000 -0.168 0.000 1.044 157 F CB 1.342 40.337 39.000 -0.008 0.000 1.135 157 F HN 0.196 nan 8.300 nan 0.000 0.461 158 P HA 0.175 nan 4.420 nan 0.000 0.281 158 P C -0.705 176.501 177.300 -0.157 0.000 1.249 158 P CA -0.328 62.520 63.100 -0.421 0.000 0.810 158 P CB 1.002 32.189 31.700 -0.855 0.000 1.008 159 T N 0.021 114.545 114.554 -0.050 0.000 2.855 159 T HA 0.065 4.413 4.350 -0.004 0.000 0.322 159 T C -1.610 173.079 174.700 -0.017 0.000 1.088 159 T CA -0.968 61.141 62.100 0.015 0.000 1.104 159 T CB -0.989 67.915 68.868 0.060 0.000 0.996 159 T HN 0.270 nan 8.240 nan 0.000 0.549 160 P HA -0.165 nan 4.420 nan 0.000 0.216 160 P C 1.631 178.908 177.300 -0.038 0.000 1.157 160 P CA 1.119 64.237 63.100 0.028 0.000 0.880 160 P CB 0.008 31.707 31.700 -0.003 0.000 0.791 161 E N -1.203 118.963 120.200 -0.057 0.000 2.209 161 E HA -0.155 4.192 4.350 -0.004 0.000 0.196 161 E C 1.974 178.497 176.600 -0.128 0.000 0.993 161 E CA 1.005 57.354 56.400 -0.085 0.000 0.819 161 E CB -0.494 29.174 29.700 -0.054 0.000 0.745 161 E HN 0.336 nan 8.360 nan 0.000 0.477 162 I N -0.747 119.724 120.570 -0.166 0.000 2.556 162 I HA -0.120 4.048 4.170 -0.004 0.000 0.251 162 I C 2.000 177.983 176.117 -0.223 0.000 1.105 162 I CA 0.190 61.342 61.300 -0.248 0.000 1.436 162 I CB -0.189 37.528 38.000 -0.471 0.000 1.139 162 I HN -0.045 nan 8.210 nan 0.000 0.438 163 F N 2.017 121.773 119.950 -0.323 0.000 2.126 163 F HA -0.253 4.272 4.527 -0.004 0.000 0.299 163 F C 2.091 177.759 175.800 -0.221 0.000 1.096 163 F CA 1.629 59.465 58.000 -0.272 0.000 1.255 163 F CB -0.372 38.506 39.000 -0.205 0.000 0.997 163 F HN 0.110 nan 8.300 nan 0.000 0.479 164 N N 0.532 119.072 118.700 -0.267 0.000 2.573 164 N HA -0.053 4.685 4.740 -0.004 0.000 0.187 164 N C 1.685 176.812 175.510 -0.637 0.000 1.107 164 N CA 0.896 53.536 53.050 -0.684 0.000 0.918 164 N CB -0.496 37.642 38.487 -0.582 0.000 0.966 164 N HN 0.429 nan 8.380 nan 0.000 0.448 165 A N -0.026 122.543 122.820 -0.418 0.000 2.067 165 A HA 0.055 4.373 4.320 -0.004 0.000 0.217 165 A C 0.647 178.022 177.584 -0.348 0.000 1.156 165 A CA 0.029 51.868 52.037 -0.330 0.000 0.683 165 A CB -0.094 18.760 19.000 -0.243 0.000 0.808 165 A HN 0.099 nan 8.150 nan 0.000 0.455 166 L N 0.667 121.646 121.223 -0.406 0.000 2.615 166 L HA 0.137 4.475 4.340 -0.004 0.000 0.271 166 L C -1.555 175.095 176.870 -0.367 0.000 1.183 166 L CA -1.343 53.264 54.840 -0.388 0.000 0.933 166 L CB 0.479 42.267 42.059 -0.450 0.000 1.199 166 L HN 0.054 nan 8.230 nan 0.000 0.487 167 P HA -0.101 nan 4.420 nan 0.000 0.224 167 P C 0.952 177.992 177.300 -0.433 0.000 1.142 167 P CA 1.107 63.837 63.100 -0.617 0.000 0.778 167 P CB 0.336 31.258 31.700 -1.297 0.000 0.764 168 T N -2.892 111.397 114.554 -0.442 0.000 3.170 168 T HA 0.104 4.452 4.350 -0.004 0.000 0.288 168 T C 1.052 175.556 174.700 -0.328 0.000 0.992 168 T CA -0.465 61.303 62.100 -0.553 0.000 0.909 168 T CB -0.398 67.822 68.868 -1.080 0.000 1.133 168 T HN 0.092 nan 8.240 nan 0.000 0.530 169 Y N 0.608 120.710 120.300 -0.330 0.000 2.151 169 Y HA -0.146 4.402 4.550 -0.004 0.000 0.284 169 Y C 1.851 177.828 175.900 0.127 0.000 1.166 169 Y CA 1.528 59.464 58.100 -0.273 0.000 1.163 169 Y CB -0.678 37.474 38.460 -0.513 0.000 0.974 169 Y HN 0.083 nan 8.280 nan 0.000 0.511 170 D N 0.782 120.423 120.400 -1.265 0.000 2.797 170 D HA -0.273 4.364 4.640 -0.004 0.000 0.222 170 D C 2.057 178.204 176.300 -0.255 0.000 1.070 170 D CA 3.051 56.547 54.000 -0.840 0.000 0.926 170 D CB -0.748 39.646 40.800 -0.676 0.000 1.136 170 D HN 0.518 nan 8.370 nan 0.000 0.487 171 T N 0.070 114.533 114.554 -0.150 0.000 2.788 171 T HA -0.107 4.240 4.350 -0.004 0.000 0.268 171 T C 1.807 176.587 174.700 0.134 0.000 1.044 171 T CA 0.480 62.581 62.100 0.001 0.000 1.139 171 T CB -0.200 68.776 68.868 0.179 0.000 0.867 171 T HN 0.024 nan 8.240 nan 0.000 0.454 172 L N 0.652 122.033 121.223 0.263 0.000 2.046 172 L HA -0.001 4.337 4.340 -0.004 0.000 0.208 172 L C 2.205 179.338 176.870 0.437 0.000 1.077 172 L CA 1.351 56.465 54.840 0.457 0.000 0.747 172 L CB -1.230 41.209 42.059 0.632 0.000 0.896 172 L HN 0.222 nan 8.230 nan 0.000 0.432 173 L N -0.765 120.714 121.223 0.426 0.000 2.056 173 L HA -0.157 4.181 4.340 -0.004 0.000 0.207 173 L C 2.516 179.584 176.870 0.329 0.000 1.078 173 L CA 1.356 56.455 54.840 0.432 0.000 0.749 173 L CB -0.968 41.349 42.059 0.429 0.000 0.901 173 L HN 0.298 nan 8.230 nan 0.000 0.433 174 E N -0.859 119.392 120.200 0.084 0.000 2.070 174 E HA -0.279 4.069 4.350 -0.004 0.000 0.197 174 E C 2.209 178.754 176.600 -0.092 0.000 1.004 174 E CA 1.728 57.950 56.400 -0.296 0.000 0.805 174 E CB -0.032 29.347 29.700 -0.535 0.000 0.744 174 E HN 0.541 nan 8.360 nan 0.000 0.451 175 Q N -0.309 119.468 119.800 -0.038 0.000 2.187 175 Q HA -0.041 4.297 4.340 -0.004 0.000 0.199 175 Q C 2.263 178.316 176.000 0.089 0.000 0.957 175 Q CA 0.524 56.309 55.803 -0.031 0.000 0.857 175 Q CB 0.095 28.812 28.738 -0.035 0.000 0.929 175 Q HN 0.301 nan 8.270 nan 0.000 0.453 176 L N -0.218 121.121 121.223 0.193 0.000 2.131 176 L HA -0.206 4.132 4.340 -0.004 0.000 0.210 176 L C 1.991 178.944 176.870 0.139 0.000 1.092 176 L CA 0.600 55.580 54.840 0.233 0.000 0.759 176 L CB -0.246 41.965 42.059 0.254 0.000 0.903 176 L HN 0.335 nan 8.230 nan 0.000 0.435 177 C N -0.240 119.086 119.300 0.045 0.000 2.511 177 C HA -0.061 4.397 4.460 -0.004 0.000 0.277 177 C C 1.876 176.889 174.990 0.039 0.000 1.451 177 C CA -0.045 58.883 59.018 -0.149 0.000 1.735 177 C CB -1.237 26.514 27.740 0.019 0.000 1.704 177 C HN 0.471 nan 8.230 nan 0.000 0.571 178 D N -0.763 119.657 120.400 0.033 0.000 2.348 178 D HA 0.045 4.683 4.640 -0.004 0.000 0.211 178 D C 0.299 176.566 176.300 -0.056 0.000 0.998 178 D CA 0.459 54.456 54.000 -0.005 0.000 0.873 178 D CB 0.067 40.838 40.800 -0.049 0.000 0.925 178 D HN 0.457 nan 8.370 nan 0.000 0.524 179 Y N 1.576 121.926 120.300 0.084 0.000 2.397 179 Y HA 0.003 4.551 4.550 -0.004 0.000 0.335 179 Y C 1.719 177.723 175.900 0.174 0.000 1.213 179 Y CA -0.016 58.162 58.100 0.130 0.000 1.391 179 Y CB 0.781 39.322 38.460 0.135 0.000 1.293 179 Y HN -0.187 nan 8.280 nan 0.000 0.557 180 D N 1.078 121.683 120.400 0.341 0.000 2.194 180 D HA -0.020 4.617 4.640 -0.004 0.000 0.204 180 D C -0.285 176.175 176.300 0.267 0.000 0.964 180 D CA 1.161 55.319 54.000 0.262 0.000 0.846 180 D CB 0.390 41.284 40.800 0.157 0.000 0.962 180 D HN 0.222 nan 8.370 nan 0.000 0.490 181 L N 1.045 122.414 121.223 0.244 0.000 2.438 181 L HA 0.313 4.651 4.340 -0.004 0.000 0.270 181 L C -1.890 175.090 176.870 0.184 0.000 0.972 181 L CA -0.584 54.342 54.840 0.142 0.000 0.831 181 L CB 2.106 44.081 42.059 -0.140 0.000 1.273 181 L HN -0.303 nan 8.230 nan 0.000 0.405 182 L N 4.732 126.079 121.223 0.206 0.000 2.325 182 L HA 0.742 5.080 4.340 -0.004 0.000 0.281 182 L C 0.423 177.324 176.870 0.051 0.000 1.004 182 L CA -0.252 54.622 54.840 0.057 0.000 0.823 182 L CB 1.010 43.044 42.059 -0.042 0.000 1.236 182 L HN 0.803 nan 8.230 nan 0.000 0.415 183 G N 2.783 111.578 108.800 -0.009 0.000 2.388 183 G HA2 0.699 4.657 3.960 -0.004 0.000 0.330 183 G HA3 0.699 4.657 3.960 -0.004 0.000 0.330 183 G C -1.259 173.358 174.900 -0.473 0.000 1.142 183 G CA -0.167 45.127 45.100 0.324 0.000 0.908 183 G HN 0.284 nan 8.290 nan 0.000 0.473 184 F N -0.856 119.190 119.950 0.160 0.000 2.620 184 F HA 0.416 4.940 4.527 -0.004 0.000 0.320 184 F C 1.255 177.135 175.800 0.134 0.000 1.069 184 F CA -0.798 57.160 58.000 -0.071 0.000 0.953 184 F CB 2.634 41.651 39.000 0.029 0.000 1.322 184 F HN 0.444 nan 8.300 nan 0.000 0.479 185 Q N -0.287 119.687 119.800 0.289 0.000 2.269 185 Q HA 0.077 4.415 4.340 -0.004 0.000 0.201 185 Q C 0.078 176.274 176.000 0.326 0.000 0.946 185 Q CA 0.986 57.030 55.803 0.402 0.000 0.877 185 Q CB 0.412 29.357 28.738 0.345 0.000 0.963 185 Q HN 0.758 nan 8.270 nan 0.000 0.472 186 T N -4.205 110.507 114.554 0.263 0.000 2.896 186 T HA 0.274 4.622 4.350 -0.004 0.000 0.297 186 T C 0.408 175.188 174.700 0.133 0.000 1.108 186 T CA -0.751 61.459 62.100 0.182 0.000 1.004 186 T CB 1.611 70.565 68.868 0.144 0.000 1.159 186 T HN -0.063 nan 8.240 nan 0.000 0.499 187 E N 1.322 121.574 120.200 0.087 0.000 2.097 187 E HA -0.209 4.139 4.350 -0.004 0.000 0.196 187 E C 1.661 178.259 176.600 -0.003 0.000 1.000 187 E CA 2.042 58.464 56.400 0.036 0.000 0.804 187 E CB -0.384 29.333 29.700 0.029 0.000 0.740 187 E HN 0.617 nan 8.360 nan 0.000 0.454 188 N N 1.032 119.745 118.700 0.023 0.000 2.104 188 N HA -0.155 4.583 4.740 -0.004 0.000 0.190 188 N C 1.224 176.726 175.510 -0.013 0.000 1.024 188 N CA 1.491 54.548 53.050 0.012 0.000 0.853 188 N CB -0.443 38.072 38.487 0.046 0.000 1.008 188 N HN 0.331 nan 8.380 nan 0.000 0.424 189 D N 0.397 120.806 120.400 0.015 0.000 2.104 189 D HA -0.158 4.480 4.640 -0.004 0.000 0.194 189 D C 2.001 178.023 176.300 -0.464 0.000 0.994 189 D CA 0.768 54.763 54.000 -0.007 0.000 0.830 189 D CB -0.148 40.781 40.800 0.215 0.000 0.959 189 D HN 0.312 nan 8.370 nan 0.000 0.452 190 R N 0.150 120.287 120.500 -0.605 0.000 2.070 190 R HA -0.141 4.197 4.340 -0.004 0.000 0.233 190 R C 2.269 178.265 176.300 -0.507 0.000 1.137 190 R CA 0.869 56.398 56.100 -0.951 0.000 0.945 190 R CB -0.261 29.823 30.300 -0.360 0.000 0.845 190 R HN 0.045 nan 8.270 nan 0.000 0.430 191 L N 0.702 121.766 121.223 -0.264 0.000 2.042 191 L HA -0.128 4.210 4.340 -0.004 0.000 0.210 191 L C 2.492 179.241 176.870 -0.201 0.000 1.076 191 L CA 2.041 56.774 54.840 -0.178 0.000 0.749 191 L CB -1.207 40.794 42.059 -0.096 0.000 0.893 191 L HN 0.307 nan 8.230 nan 0.000 0.432 192 A N -0.967 121.744 122.820 -0.181 0.000 1.877 192 A HA -0.290 4.028 4.320 -0.004 0.000 0.216 192 A C 2.300 179.713 177.584 -0.286 0.000 1.186 192 A CA 1.767 53.734 52.037 -0.117 0.000 0.620 192 A CB -1.065 17.969 19.000 0.058 0.000 0.822 192 A HN 0.409 nan 8.150 nan 0.000 0.443 193 F N 0.273 119.725 119.950 -0.831 0.000 2.091 193 F HA -0.198 4.327 4.527 -0.004 0.000 0.299 193 F C 1.752 177.187 175.800 -0.609 0.000 1.103 193 F CA 1.760 59.000 58.000 -1.266 0.000 1.228 193 F CB -0.315 37.827 39.000 -1.431 0.000 0.984 193 F HN 0.145 nan 8.300 nan 0.000 0.477 194 L N 0.654 121.512 121.223 -0.610 0.000 2.141 194 L HA -0.190 4.147 4.340 -0.004 0.000 0.209 194 L C 2.256 178.876 176.870 -0.417 0.000 1.094 194 L CA 1.578 56.091 54.840 -0.545 0.000 0.763 194 L CB -1.412 40.460 42.059 -0.312 0.000 0.908 194 L HN 0.260 nan 8.230 nan 0.000 0.437 195 D N -1.083 119.128 120.400 -0.315 0.000 2.084 195 D HA -0.193 4.445 4.640 -0.004 0.000 0.194 195 D C 2.209 178.394 176.300 -0.192 0.000 0.990 195 D CA 1.741 55.618 54.000 -0.204 0.000 0.826 195 D CB 0.267 40.986 40.800 -0.136 0.000 0.971 195 D HN 0.355 nan 8.370 nan 0.000 0.453 196 C N 0.605 119.775 119.300 -0.217 0.000 2.398 196 C HA -0.180 4.278 4.460 -0.004 0.000 0.276 196 C C 2.736 177.647 174.990 -0.132 0.000 1.222 196 C CA 0.162 59.117 59.018 -0.105 0.000 1.746 196 C CB -1.162 26.498 27.740 -0.133 0.000 2.039 196 C HN 0.380 nan 8.230 nan 0.000 0.470 197 L N 1.315 122.307 121.223 -0.386 0.000 1.989 197 L HA -0.143 4.195 4.340 -0.004 0.000 0.211 197 L C 2.608 179.332 176.870 -0.242 0.000 1.071 197 L CA 2.126 56.754 54.840 -0.355 0.000 0.749 197 L CB -0.830 40.861 42.059 -0.613 0.000 0.890 197 L HN 0.263 nan 8.230 nan 0.000 0.431 198 S N -0.243 115.316 115.700 -0.235 0.000 2.419 198 S HA -0.158 4.310 4.470 -0.004 0.000 0.235 198 S C 1.737 176.275 174.600 -0.104 0.000 1.019 198 S CA 1.162 59.261 58.200 -0.168 0.000 0.982 198 S CB -0.518 62.594 63.200 -0.146 0.000 0.789 198 S HN 0.502 nan 8.310 nan 0.000 0.490 199 N N 1.151 119.814 118.700 -0.060 0.000 2.331 199 N HA 0.096 4.834 4.740 -0.004 0.000 0.180 199 N C 1.489 177.023 175.510 0.041 0.000 1.019 199 N CA 0.554 53.602 53.050 -0.003 0.000 0.881 199 N CB -0.213 38.289 38.487 0.025 0.000 0.972 199 N HN 0.345 nan 8.380 nan 0.000 0.435 200 L N -1.067 120.190 121.223 0.057 0.000 2.145 200 L HA 0.072 4.409 4.340 -0.004 0.000 0.201 200 L C 0.599 177.478 176.870 0.016 0.000 1.075 200 L CA 0.902 55.812 54.840 0.118 0.000 0.773 200 L CB 0.197 42.388 42.059 0.219 0.000 0.936 200 L HN 0.070 nan 8.230 nan 0.000 0.451 201 T N -0.764 113.691 114.554 -0.166 0.000 2.841 201 T HA 0.348 4.696 4.350 -0.004 0.000 0.296 201 T C -0.931 173.582 174.700 -0.312 0.000 1.166 201 T CA -0.795 61.108 62.100 -0.328 0.000 1.007 201 T CB 1.350 69.687 68.868 -0.885 0.000 1.253 201 T HN 0.036 nan 8.240 nan 0.000 0.511 202 R N 1.919 122.255 120.500 -0.272 0.000 2.370 202 R HA 0.376 4.714 4.340 -0.004 0.000 0.309 202 R C -0.010 176.155 176.300 -0.224 0.000 1.059 202 R CA -0.326 55.657 56.100 -0.196 0.000 0.981 202 R CB 0.253 30.473 30.300 -0.132 0.000 0.972 202 R HN 0.455 nan 8.270 nan 0.000 0.437 203 V N 0.656 120.468 119.914 -0.170 0.000 2.384 203 V HA 0.363 4.480 4.120 -0.004 0.000 0.287 203 V C -0.092 175.959 176.094 -0.072 0.000 1.020 203 V CA -0.564 61.662 62.300 -0.125 0.000 0.850 203 V CB 1.793 33.541 31.823 -0.124 0.000 0.987 203 V HN 0.681 nan 8.190 nan 0.000 0.436 204 T N 4.561 119.082 114.554 -0.055 0.000 2.817 204 T HA 0.484 4.832 4.350 -0.004 0.000 0.293 204 T C 0.203 174.885 174.700 -0.030 0.000 0.964 204 T CA -0.045 62.029 62.100 -0.042 0.000 1.085 204 T CB 0.960 69.802 68.868 -0.044 0.000 0.921 204 T HN 0.893 nan 8.240 nan 0.000 0.502 205 T N 2.932 117.472 114.554 -0.023 0.000 3.009 205 T HA 0.246 4.594 4.350 -0.004 0.000 0.346 205 T C 1.209 175.869 174.700 -0.068 0.000 1.092 205 T CA -0.843 61.237 62.100 -0.034 0.000 1.080 205 T CB 0.605 69.510 68.868 0.062 0.000 1.037 205 T HN 0.671 nan 8.240 nan 0.000 0.487 206 R N 0.918 121.360 120.500 -0.097 0.000 2.300 206 R HA 0.433 4.771 4.340 -0.004 0.000 0.199 206 R C 0.637 176.886 176.300 -0.085 0.000 0.920 206 R CA -0.196 55.858 56.100 -0.077 0.000 1.046 206 R CB 0.408 30.668 30.300 -0.068 0.000 0.984 206 R HN 0.300 nan 8.270 nan 0.000 0.493 207 S N -0.468 115.161 115.700 -0.120 0.000 2.651 207 S HA 0.584 5.052 4.470 -0.004 0.000 0.279 207 S C -1.269 173.253 174.600 -0.130 0.000 1.148 207 S CA -0.439 57.694 58.200 -0.113 0.000 0.837 207 S CB 1.723 64.853 63.200 -0.116 0.000 1.138 207 S HN 0.374 nan 8.310 nan 0.000 0.478 208 A N 2.275 125.039 122.820 -0.094 0.000 2.519 208 A HA 0.203 4.521 4.320 -0.004 0.000 0.275 208 A C 0.523 178.029 177.584 -0.131 0.000 1.082 208 A CA 0.965 52.952 52.037 -0.082 0.000 0.841 208 A CB -1.274 17.690 19.000 -0.059 0.000 0.984 208 A HN 0.920 nan 8.150 nan 0.000 0.531 209 K N -0.057 120.251 120.400 -0.154 0.000 3.167 209 K HA -0.138 4.180 4.320 -0.004 0.000 0.272 209 K C -0.016 176.261 176.600 -0.538 0.000 1.137 209 K CA 1.054 57.228 56.287 -0.187 0.000 0.800 209 K CB -1.956 30.533 32.500 -0.019 0.000 1.253 209 K HN 0.810 nan 8.250 nan 0.000 0.497 210 S N 0.548 115.740 115.700 -0.846 0.000 2.647 210 S HA 0.458 4.925 4.470 -0.004 0.000 0.300 210 S C -0.955 173.127 174.600 -0.864 0.000 1.129 210 S CA -0.815 56.949 58.200 -0.727 0.000 1.029 210 S CB 0.712 63.710 63.200 -0.336 0.000 1.007 210 S HN 0.318 nan 8.310 nan 0.000 0.484 211 H N 1.819 120.623 119.070 -0.443 0.000 2.894 211 H HA 0.571 5.125 4.556 -0.004 0.000 0.368 211 H C -0.783 174.205 175.328 -0.568 0.000 1.181 211 H CA -0.720 54.974 56.048 -0.590 0.000 1.146 211 H CB 1.884 31.096 29.762 -0.917 0.000 1.839 211 H HN 0.468 nan 8.280 nan 0.000 0.557 212 T N 0.979 115.427 114.554 -0.176 0.000 2.879 212 T HA 0.635 4.983 4.350 -0.004 0.000 0.290 212 T C -1.013 173.733 174.700 0.078 0.000 0.993 212 T CA -0.585 61.508 62.100 -0.012 0.000 0.975 212 T CB 1.241 70.105 68.868 -0.007 0.000 0.981 212 T HN 0.765 nan 8.240 nan 0.000 0.439 213 A N 2.849 125.820 122.820 0.252 0.000 2.427 213 A HA 0.634 4.952 4.320 -0.004 0.000 0.298 213 A C -0.435 177.292 177.584 0.237 0.000 1.036 213 A CA -0.641 51.432 52.037 0.061 0.000 0.701 213 A CB 0.769 19.779 19.000 0.017 0.000 1.250 213 A HN 0.954 nan 8.150 nan 0.000 0.412 214 W N 1.816 123.185 121.300 0.114 0.000 5.538 214 W HA -0.251 4.406 4.660 -0.004 0.000 0.377 214 W C 1.277 177.850 176.519 0.090 0.000 1.406 214 W CA 1.728 59.125 57.345 0.086 0.000 0.940 214 W CB -1.734 27.774 29.460 0.079 0.000 2.536 214 W HN 2.380 nan 8.180 nan 0.000 1.504 215 G N -0.417 108.525 108.800 0.237 0.000 2.175 215 G HA2 -0.361 3.597 3.960 -0.004 0.000 0.265 215 G HA3 -0.361 3.597 3.960 -0.004 0.000 0.265 215 G C 0.479 175.502 174.900 0.205 0.000 0.979 215 G CA 0.970 46.179 45.100 0.181 0.000 0.663 215 G HN 0.321 nan 8.290 nan 0.000 0.533 216 K N 0.658 121.234 120.400 0.294 0.000 2.211 216 K HA 0.679 4.997 4.320 -0.004 0.000 0.275 216 K C 0.472 177.295 176.600 0.371 0.000 1.024 216 K CA 0.133 56.612 56.287 0.319 0.000 0.887 216 K CB 1.711 34.436 32.500 0.375 0.000 1.084 216 K HN 0.427 nan 8.250 nan 0.000 0.463 217 A N 3.598 126.582 122.820 0.274 0.000 2.327 217 A HA 0.730 5.048 4.320 -0.004 0.000 0.283 217 A C -0.592 177.208 177.584 0.360 0.000 1.127 217 A CA -0.403 51.755 52.037 0.202 0.000 0.810 217 A CB -0.186 18.871 19.000 0.094 0.000 1.066 217 A HN 0.719 nan 8.150 nan 0.000 0.492 218 F N -0.677 119.373 119.950 0.168 0.000 2.741 218 F HA 0.780 5.305 4.527 -0.004 0.000 0.311 218 F C -0.902 175.024 175.800 0.210 0.000 1.149 218 F CA -1.114 57.006 58.000 0.200 0.000 0.930 218 F CB 1.224 40.387 39.000 0.273 0.000 1.312 218 F HN 0.536 nan 8.300 nan 0.000 0.450 219 R N 0.565 121.264 120.500 0.332 0.000 2.711 219 R HA 0.798 5.136 4.340 -0.004 0.000 0.284 219 R C -0.995 175.555 176.300 0.417 0.000 0.968 219 R CA -0.592 55.628 56.100 0.201 0.000 0.924 219 R CB 2.309 32.645 30.300 0.061 0.000 1.162 219 R HN 0.969 nan 8.270 nan 0.000 0.465 220 T N -1.134 113.672 114.554 0.420 0.000 2.908 220 T HA 0.734 5.081 4.350 -0.004 0.000 0.290 220 T C -0.725 174.148 174.700 0.288 0.000 1.034 220 T CA -0.806 61.575 62.100 0.468 0.000 1.010 220 T CB 2.132 71.349 68.868 0.580 0.000 1.068 220 T HN 0.488 nan 8.240 nan 0.000 0.481 221 E N 0.250 120.629 120.200 0.298 0.000 2.409 221 E HA 0.537 4.885 4.350 -0.004 0.000 0.280 221 E C -2.099 174.526 176.600 0.041 0.000 1.079 221 E CA -0.773 55.654 56.400 0.044 0.000 0.840 221 E CB 1.779 31.378 29.700 -0.169 0.000 1.309 221 E HN 0.630 nan 8.360 nan 0.000 0.447 222 V N 3.112 122.905 119.914 -0.201 0.000 2.417 222 V HA 0.523 4.641 4.120 -0.004 0.000 0.291 222 V C -1.088 174.889 176.094 -0.195 0.000 1.024 222 V CA -0.446 61.855 62.300 0.001 0.000 0.861 222 V CB 0.996 32.866 31.823 0.079 0.000 0.985 222 V HN 0.605 nan 8.190 nan 0.000 0.436 223 Y N 5.855 126.455 120.300 0.500 0.000 2.609 223 Y HA 0.377 4.925 4.550 -0.004 0.000 0.350 223 Y C -2.461 173.872 175.900 0.721 0.000 1.050 223 Y CA -2.763 55.649 58.100 0.520 0.000 1.290 223 Y CB 1.497 40.161 38.460 0.340 0.000 1.094 223 Y HN 0.459 nan 8.280 nan 0.000 0.583 224 P HA 0.032 nan 4.420 nan 0.000 0.266 224 P C 0.286 177.765 177.300 0.299 0.000 1.215 224 P CA 0.315 63.679 63.100 0.440 0.000 0.763 224 P CB 1.305 33.177 31.700 0.286 0.000 0.806 225 I N 2.659 123.239 120.570 0.016 0.000 2.692 225 I HA 0.315 4.483 4.170 -0.004 0.000 0.284 225 I C 0.899 176.847 176.117 -0.282 0.000 1.159 225 I CA 0.670 61.574 61.300 -0.659 0.000 1.423 225 I CB 0.559 38.051 38.000 -0.846 0.000 1.380 225 I HN 0.446 nan 8.210 nan 0.000 0.580 226 G N 6.471 115.088 108.800 -0.306 0.000 3.243 226 G HA2 0.631 4.589 3.960 -0.004 0.000 0.248 226 G HA3 0.631 4.589 3.960 -0.004 0.000 0.248 226 G C -1.517 173.332 174.900 -0.086 0.000 1.267 226 G CA -0.458 44.589 45.100 -0.088 0.000 0.906 226 G HN 0.438 nan 8.290 nan 0.000 0.592 227 I N -0.907 119.657 120.570 -0.009 0.000 3.174 227 I HA 0.398 4.566 4.170 -0.004 0.000 0.313 227 I C -0.819 175.318 176.117 0.033 0.000 1.155 227 I CA -1.508 59.799 61.300 0.012 0.000 0.977 227 I CB 2.350 40.369 38.000 0.032 0.000 1.248 227 I HN 0.540 nan 8.210 nan 0.000 0.453 228 E N 4.870 125.095 120.200 0.040 0.000 1.986 228 E HA 0.248 4.596 4.350 -0.004 0.000 0.264 228 E C -1.890 174.736 176.600 0.044 0.000 1.023 228 E CA -1.347 55.081 56.400 0.047 0.000 0.834 228 E CB 0.683 30.412 29.700 0.048 0.000 1.111 228 E HN 0.303 nan 8.360 nan 0.000 0.417 229 P HA -0.150 nan 4.420 nan 0.000 0.219 229 P C 0.984 178.302 177.300 0.031 0.000 1.150 229 P CA 0.849 63.969 63.100 0.033 0.000 0.814 229 P CB 0.406 32.120 31.700 0.024 0.000 0.787 230 K N -0.013 120.406 120.400 0.031 0.000 2.025 230 K HA -0.141 4.177 4.320 -0.004 0.000 0.207 230 K C 2.135 178.751 176.600 0.028 0.000 1.049 230 K CA 1.414 57.718 56.287 0.027 0.000 0.933 230 K CB -1.032 31.485 32.500 0.028 0.000 0.714 230 K HN 0.070 nan 8.250 nan 0.000 0.438 231 E N 0.701 120.921 120.200 0.033 0.000 2.077 231 E HA -0.101 4.247 4.350 -0.004 0.000 0.193 231 E C 1.726 178.345 176.600 0.032 0.000 0.989 231 E CA 1.241 57.661 56.400 0.034 0.000 0.800 231 E CB -0.111 29.613 29.700 0.040 0.000 0.746 231 E HN 0.386 nan 8.360 nan 0.000 0.452 232 I N -1.676 118.917 120.570 0.038 0.000 2.394 232 I HA -0.098 4.070 4.170 -0.004 0.000 0.251 232 I C 2.285 178.414 176.117 0.021 0.000 1.136 232 I CA 1.136 62.460 61.300 0.040 0.000 1.425 232 I CB -1.011 37.030 38.000 0.069 0.000 1.079 232 I HN 0.049 nan 8.210 nan 0.000 0.425 233 A N 2.617 125.447 122.820 0.017 0.000 1.873 233 A HA -0.235 4.083 4.320 -0.004 0.000 0.218 233 A C 2.454 180.035 177.584 -0.005 0.000 1.193 233 A CA 2.257 54.295 52.037 0.001 0.000 0.629 233 A CB -0.667 18.338 19.000 0.008 0.000 0.826 233 A HN 0.456 nan 8.150 nan 0.000 0.447 234 K N -0.230 120.174 120.400 0.006 0.000 2.009 234 K HA -0.239 4.079 4.320 -0.004 0.000 0.210 234 K C 2.388 178.989 176.600 0.002 0.000 1.049 234 K CA 1.802 58.092 56.287 0.006 0.000 0.929 234 K CB -0.406 32.101 32.500 0.013 0.000 0.714 234 K HN 0.884 nan 8.250 nan 0.000 0.440 235 Q N 0.393 120.196 119.800 0.005 0.000 2.167 235 Q HA -0.026 4.312 4.340 -0.004 0.000 0.202 235 Q C 2.066 178.058 176.000 -0.013 0.000 0.970 235 Q CA 1.258 57.061 55.803 0.001 0.000 0.855 235 Q CB -0.304 28.437 28.738 0.006 0.000 0.911 235 Q HN 0.232 nan 8.270 nan 0.000 0.438 236 A N 1.527 124.332 122.820 -0.025 0.000 2.019 236 A HA 0.081 4.399 4.320 -0.004 0.000 0.219 236 A C 2.248 179.791 177.584 -0.068 0.000 1.164 236 A CA 1.437 53.436 52.037 -0.063 0.000 0.644 236 A CB -0.494 18.455 19.000 -0.084 0.000 0.805 236 A HN 0.511 nan 8.150 nan 0.000 0.449 237 A N -0.476 122.322 122.820 -0.036 0.000 2.238 237 A HA 0.476 4.794 4.320 -0.004 0.000 0.210 237 A C 1.391 178.989 177.584 0.022 0.000 1.179 237 A CA 0.609 52.638 52.037 -0.014 0.000 0.827 237 A CB -0.765 18.225 19.000 -0.016 0.000 0.856 237 A HN 0.671 nan 8.150 nan 0.000 0.488 238 G N 0.601 109.412 108.800 0.018 0.000 2.594 238 G HA2 0.433 4.391 3.960 -0.004 0.000 0.243 238 G HA3 0.433 4.391 3.960 -0.004 0.000 0.243 238 G C -2.615 172.308 174.900 0.038 0.000 1.229 238 G CA -0.834 44.279 45.100 0.021 0.000 0.843 238 G HN 0.173 nan 8.290 nan 0.000 0.578 239 P HA 0.147 nan 4.420 nan 0.000 0.269 239 P C -0.035 177.274 177.300 0.014 0.000 1.209 239 P CA -0.231 62.880 63.100 0.019 0.000 0.776 239 P CB 0.632 32.333 31.700 0.001 0.000 0.876 240 L N 4.402 125.624 121.223 -0.001 0.000 2.417 240 L HA 0.293 4.631 4.340 -0.004 0.000 0.268 240 L C -1.699 175.153 176.870 -0.029 0.000 1.158 240 L CA -1.881 52.948 54.840 -0.018 0.000 0.819 240 L CB -0.145 41.872 42.059 -0.070 0.000 1.112 240 L HN 0.300 nan 8.230 nan 0.000 0.458 241 P HA 0.013 nan 4.420 nan 0.000 0.266 241 P C -2.179 175.101 177.300 -0.033 0.000 1.193 241 P CA -0.976 62.107 63.100 -0.028 0.000 0.770 241 P CB -0.050 31.637 31.700 -0.023 0.000 0.836 242 P HA -0.177 nan 4.420 nan 0.000 0.216 242 P C 1.522 178.802 177.300 -0.032 0.000 1.153 242 P CA 1.697 64.778 63.100 -0.032 0.000 0.858 242 P CB 0.015 31.700 31.700 -0.026 0.000 0.789 243 K N -0.808 119.578 120.400 -0.024 0.000 2.103 243 K HA -0.147 4.171 4.320 -0.004 0.000 0.207 243 K C 1.690 178.275 176.600 -0.024 0.000 1.048 243 K CA 1.208 57.484 56.287 -0.017 0.000 0.930 243 K CB -0.439 32.058 32.500 -0.006 0.000 0.716 243 K HN -0.007 nan 8.250 nan 0.000 0.444 244 L N 0.099 121.302 121.223 -0.033 0.000 2.270 244 L HA 0.086 4.424 4.340 -0.004 0.000 0.210 244 L C 2.178 178.991 176.870 -0.095 0.000 1.104 244 L CA 1.299 56.108 54.840 -0.052 0.000 0.804 244 L CB -0.736 41.296 42.059 -0.044 0.000 0.937 244 L HN 0.136 nan 8.230 nan 0.000 0.450 245 A N -1.077 121.687 122.820 -0.093 0.000 1.908 245 A HA -0.286 4.031 4.320 -0.004 0.000 0.218 245 A C 2.270 179.794 177.584 -0.100 0.000 1.181 245 A CA 1.826 53.792 52.037 -0.117 0.000 0.627 245 A CB -0.471 18.477 19.000 -0.087 0.000 0.818 245 A HN 0.481 nan 8.150 nan 0.000 0.445 246 Q N -0.899 118.861 119.800 -0.066 0.000 1.975 246 Q HA -0.202 4.136 4.340 -0.004 0.000 0.205 246 Q C 2.136 178.104 176.000 -0.054 0.000 0.990 246 Q CA 1.819 57.593 55.803 -0.049 0.000 0.845 246 Q CB -0.350 28.370 28.738 -0.029 0.000 0.913 246 Q HN 0.694 nan 8.270 nan 0.000 0.420 247 L N 1.035 122.227 121.223 -0.053 0.000 2.081 247 L HA -0.208 4.130 4.340 -0.004 0.000 0.212 247 L C 1.941 178.768 176.870 -0.073 0.000 1.080 247 L CA 2.067 56.876 54.840 -0.051 0.000 0.754 247 L CB -1.151 40.879 42.059 -0.049 0.000 0.893 247 L HN 0.163 nan 8.230 nan 0.000 0.433 248 K N -0.080 120.252 120.400 -0.114 0.000 2.026 248 K HA -0.139 4.178 4.320 -0.004 0.000 0.208 248 K C 2.053 178.590 176.600 -0.106 0.000 1.048 248 K CA 1.584 57.782 56.287 -0.149 0.000 0.929 248 K CB -0.243 32.085 32.500 -0.288 0.000 0.713 248 K HN 0.496 nan 8.250 nan 0.000 0.439 249 A N 1.443 124.206 122.820 -0.095 0.000 1.908 249 A HA -0.217 4.100 4.320 -0.004 0.000 0.218 249 A C 1.823 179.386 177.584 -0.035 0.000 1.181 249 A CA 1.934 53.934 52.037 -0.062 0.000 0.627 249 A CB -0.489 18.478 19.000 -0.054 0.000 0.818 249 A HN 0.524 nan 8.150 nan 0.000 0.445 250 E N -1.030 119.153 120.200 -0.028 0.000 2.208 250 E HA -0.016 4.331 4.350 -0.004 0.000 0.193 250 E C 0.441 177.044 176.600 0.004 0.000 0.988 250 E CA 0.268 56.665 56.400 -0.006 0.000 0.828 250 E CB 0.029 29.730 29.700 0.002 0.000 0.763 250 E HN 0.329 nan 8.360 nan 0.000 0.478 251 L N 1.409 122.627 121.223 -0.008 0.000 2.791 251 L HA 0.066 4.403 4.340 -0.004 0.000 0.239 251 L C 1.605 178.479 176.870 0.007 0.000 1.203 251 L CA 0.647 55.491 54.840 0.006 0.000 1.002 251 L CB -0.335 41.717 42.059 -0.011 0.000 1.295 251 L HN 0.091 nan 8.230 nan 0.000 0.504 252 K N -1.164 119.236 120.400 -0.000 0.000 2.211 252 K HA -0.141 4.177 4.320 -0.004 0.000 0.204 252 K C 0.727 177.335 176.600 0.014 0.000 1.047 252 K CA 1.375 57.662 56.287 0.001 0.000 0.935 252 K CB 0.120 32.617 32.500 -0.005 0.000 0.728 252 K HN 0.203 nan 8.250 nan 0.000 0.452 253 N N 0.805 119.518 118.700 0.020 0.000 2.238 253 N HA 0.129 4.867 4.740 -0.004 0.000 0.235 253 N C -1.252 174.279 175.510 0.036 0.000 1.209 253 N CA -0.078 52.987 53.050 0.024 0.000 0.879 253 N CB 1.479 39.976 38.487 0.016 0.000 1.136 253 N HN -0.063 nan 8.380 nan 0.000 0.517 254 V N 1.446 121.388 119.914 0.048 0.000 2.459 254 V HA 0.287 4.405 4.120 -0.004 0.000 0.295 254 V C 0.198 176.336 176.094 0.074 0.000 1.029 254 V CA -0.706 61.640 62.300 0.076 0.000 0.874 254 V CB 2.335 34.220 31.823 0.104 0.000 0.985 254 V HN 0.032 nan 8.190 nan 0.000 0.438 255 Q N 3.072 122.924 119.800 0.086 0.000 2.259 255 Q HA 0.380 4.718 4.340 -0.004 0.000 0.249 255 Q C -0.567 175.489 176.000 0.094 0.000 0.914 255 Q CA -0.395 55.454 55.803 0.076 0.000 0.904 255 Q CB 1.118 29.889 28.738 0.055 0.000 1.213 255 Q HN 0.616 nan 8.270 nan 0.000 0.428 256 N N 2.586 121.340 118.700 0.089 0.000 2.417 256 N HA 0.377 5.115 4.740 -0.004 0.000 0.274 256 N C -1.024 174.566 175.510 0.133 0.000 0.987 256 N CA -0.228 52.888 53.050 0.110 0.000 0.912 256 N CB 1.253 39.798 38.487 0.097 0.000 1.177 256 N HN 0.422 nan 8.380 nan 0.000 0.490 257 I N 2.341 122.988 120.570 0.128 0.000 2.359 257 I HA 0.388 4.556 4.170 -0.004 0.000 0.294 257 I C -0.547 175.721 176.117 0.251 0.000 0.987 257 I CA -0.655 60.703 61.300 0.097 0.000 1.225 257 I CB 0.834 38.789 38.000 -0.075 0.000 1.366 257 I HN 0.319 nan 8.210 nan 0.000 0.466 258 F N 4.692 124.680 119.950 0.063 0.000 2.578 258 F HA 0.652 5.175 4.527 -0.007 0.000 0.311 258 F C -0.628 175.242 175.800 0.117 0.000 1.094 258 F CA -0.173 57.907 58.000 0.133 0.000 0.923 258 F CB 1.960 41.068 39.000 0.180 0.000 1.230 258 F HN 0.352 nan 8.300 nan 0.000 0.450 259 S N 3.474 118.783 115.700 -0.652 0.000 2.549 259 S HA 0.798 5.266 4.470 -0.004 0.000 0.280 259 S C -1.733 172.504 174.600 -0.606 0.000 1.109 259 S CA -0.735 57.244 58.200 -0.368 0.000 0.905 259 S CB 2.062 65.247 63.200 -0.026 0.000 1.081 259 S HN 0.682 nan 8.310 nan 0.000 0.477 260 V N 3.511 123.316 119.914 -0.183 0.000 2.851 260 V HA 0.853 4.971 4.120 -0.004 0.000 0.307 260 V C -1.924 174.206 176.094 0.060 0.000 1.129 260 V CA -0.262 61.995 62.300 -0.072 0.000 0.932 260 V CB 1.627 33.481 31.823 0.051 0.000 1.024 260 V HN 1.043 nan 8.190 nan 0.000 0.426 261 E N 4.884 125.118 120.200 0.056 0.000 2.403 261 E HA 0.355 4.702 4.350 -0.004 0.000 0.280 261 E C -1.342 175.308 176.600 0.083 0.000 1.101 261 E CA -1.140 55.313 56.400 0.088 0.000 0.856 261 E CB 1.351 31.101 29.700 0.084 0.000 1.303 261 E HN 0.674 nan 8.360 nan 0.000 0.441 262 R N 0.441 120.993 120.500 0.087 0.000 2.638 262 R HA 0.103 4.441 4.340 -0.004 0.000 0.268 262 R C 0.336 176.676 176.300 0.066 0.000 1.006 262 R CA -0.104 56.037 56.100 0.069 0.000 1.088 262 R CB 0.257 30.577 30.300 0.033 0.000 0.950 262 R HN 0.412 nan 8.270 nan 0.000 0.419 263 L N 3.669 124.938 121.223 0.076 0.000 2.448 263 L HA 0.035 4.373 4.340 -0.004 0.000 0.278 263 L C -0.332 176.600 176.870 0.103 0.000 1.201 263 L CA 0.342 55.233 54.840 0.084 0.000 1.036 263 L CB -0.219 41.904 42.059 0.106 0.000 1.325 263 L HN 0.543 nan 8.230 nan 0.000 0.441 264 D N 1.830 122.245 120.400 0.025 0.000 2.619 264 D HA 0.067 4.704 4.640 -0.004 0.000 0.241 264 D C 0.406 176.582 176.300 -0.207 0.000 1.087 264 D CA -0.487 53.449 54.000 -0.107 0.000 0.851 264 D CB 1.484 42.249 40.800 -0.057 0.000 1.474 264 D HN 0.406 nan 8.370 nan 0.000 0.478 265 Y N 1.111 121.302 120.300 -0.182 0.000 2.574 265 Y HA -0.048 4.499 4.550 -0.004 0.000 0.294 265 Y C 2.029 177.906 175.900 -0.038 0.000 1.142 265 Y CA 0.790 58.809 58.100 -0.134 0.000 1.314 265 Y CB -0.562 37.782 38.460 -0.193 0.000 0.991 265 Y HN 0.211 nan 8.280 nan 0.000 0.555 266 S N 0.122 115.766 115.700 -0.092 0.000 2.447 266 S HA -0.102 4.366 4.470 -0.004 0.000 0.233 266 S C 1.546 176.181 174.600 0.058 0.000 1.006 266 S CA 0.508 58.725 58.200 0.027 0.000 0.957 266 S CB -0.207 62.917 63.200 -0.125 0.000 0.773 266 S HN 0.376 nan 8.310 nan 0.000 0.507 267 K N 1.118 121.538 120.400 0.034 0.000 2.459 267 K HA 0.188 4.506 4.320 -0.004 0.000 0.193 267 K C 1.392 177.997 176.600 0.008 0.000 1.030 267 K CA 0.618 56.928 56.287 0.039 0.000 1.026 267 K CB -0.891 31.633 32.500 0.040 0.000 0.809 267 K HN 0.597 nan 8.250 nan 0.000 0.504 268 G N 2.303 111.096 108.800 -0.011 0.000 2.249 268 G HA2 -0.247 3.710 3.960 -0.004 0.000 0.273 268 G HA3 -0.247 3.710 3.960 -0.004 0.000 0.273 268 G C 0.702 175.563 174.900 -0.065 0.000 1.036 268 G CA 0.118 45.186 45.100 -0.053 0.000 0.824 268 G HN 0.134 nan 8.290 nan 0.000 0.504 269 L N 0.255 121.421 121.223 -0.095 0.000 2.012 269 L HA -0.006 4.332 4.340 -0.004 0.000 0.210 269 L C 0.745 177.412 176.870 -0.337 0.000 1.073 269 L CA 2.559 57.282 54.840 -0.194 0.000 0.748 269 L CB -1.816 40.080 42.059 -0.273 0.000 0.891 269 L HN 0.219 nan 8.230 nan 0.000 0.431 270 P HA -0.142 nan 4.420 nan 0.000 0.215 270 P C 1.414 178.695 177.300 -0.032 0.000 1.153 270 P CA 1.093 64.062 63.100 -0.217 0.000 0.853 270 P CB 0.135 31.754 31.700 -0.135 0.000 0.788 271 E N -0.951 119.231 120.200 -0.031 0.000 2.110 271 E HA -0.163 4.185 4.350 -0.004 0.000 0.193 271 E C 2.135 178.774 176.600 0.065 0.000 0.988 271 E CA 0.955 57.356 56.400 0.003 0.000 0.804 271 E CB -0.519 29.135 29.700 -0.077 0.000 0.745 271 E HN 0.057 nan 8.360 nan 0.000 0.458 272 R N -0.559 119.992 120.500 0.085 0.000 2.073 272 R HA -0.102 4.236 4.340 -0.004 0.000 0.234 272 R C 1.777 178.294 176.300 0.361 0.000 1.134 272 R CA 1.184 57.384 56.100 0.166 0.000 0.952 272 R CB -0.324 30.099 30.300 0.205 0.000 0.850 272 R HN 0.113 nan 8.270 nan 0.000 0.433 273 F N 0.099 120.141 119.950 0.153 0.000 2.161 273 F HA -0.182 4.344 4.527 -0.003 0.000 0.300 273 F C 1.936 177.845 175.800 0.181 0.000 1.089 273 F CA 0.870 59.002 58.000 0.221 0.000 1.282 273 F CB -0.702 38.370 39.000 0.120 0.000 1.010 273 F HN 0.066 nan 8.300 nan 0.000 0.485 274 L N -0.300 121.104 121.223 0.302 0.000 2.093 274 L HA -0.082 4.255 4.340 -0.004 0.000 0.208 274 L C 2.552 179.511 176.870 0.149 0.000 1.085 274 L CA 1.688 56.641 54.840 0.189 0.000 0.755 274 L CB -1.702 40.437 42.059 0.133 0.000 0.904 274 L HN 0.093 nan 8.230 nan 0.000 0.435 275 A N -1.784 121.121 122.820 0.142 0.000 1.898 275 A HA -0.273 4.045 4.320 -0.004 0.000 0.216 275 A C 2.291 179.941 177.584 0.109 0.000 1.181 275 A CA 1.388 53.483 52.037 0.096 0.000 0.620 275 A CB -0.923 18.109 19.000 0.054 0.000 0.819 275 A HN 0.433 nan 8.150 nan 0.000 0.442 276 Y N 0.721 121.017 120.300 -0.006 0.000 2.145 276 Y HA -0.223 4.323 4.550 -0.007 0.000 0.286 276 Y C 2.359 178.244 175.900 -0.024 0.000 1.145 276 Y CA 2.070 60.150 58.100 -0.033 0.000 1.148 276 Y CB -0.491 37.980 38.460 0.018 0.000 0.981 276 Y HN 0.571 nan 8.280 nan 0.000 0.507 277 E N -0.139 120.035 120.200 -0.044 0.000 2.070 277 E HA -0.273 4.074 4.350 -0.004 0.000 0.197 277 E C 2.257 178.772 176.600 -0.142 0.000 1.004 277 E CA 1.447 57.745 56.400 -0.170 0.000 0.805 277 E CB -0.402 29.338 29.700 0.066 0.000 0.744 277 E HN 0.506 nan 8.360 nan 0.000 0.451 278 A N 0.921 123.741 122.820 -0.001 0.000 1.978 278 A HA -0.168 4.150 4.320 -0.004 0.000 0.220 278 A C 2.150 179.791 177.584 0.094 0.000 1.170 278 A CA 1.394 53.466 52.037 0.058 0.000 0.636 278 A CB -0.652 18.405 19.000 0.095 0.000 0.810 278 A HN 0.420 nan 8.150 nan 0.000 0.448 279 L N -0.981 120.262 121.223 0.033 0.000 2.046 279 L HA -0.095 4.243 4.340 -0.004 0.000 0.208 279 L C 2.075 179.014 176.870 0.116 0.000 1.077 279 L CA 1.609 56.507 54.840 0.097 0.000 0.747 279 L CB -0.454 41.570 42.059 -0.058 0.000 0.896 279 L HN 0.243 nan 8.230 nan 0.000 0.432 280 L N -0.431 120.684 121.223 -0.179 0.000 2.093 280 L HA -0.109 4.229 4.340 -0.004 0.000 0.208 280 L C 2.623 179.514 176.870 0.035 0.000 1.085 280 L CA 1.402 56.153 54.840 -0.148 0.000 0.755 280 L CB -1.341 40.256 42.059 -0.769 0.000 0.904 280 L HN 0.347 nan 8.230 nan 0.000 0.435 281 E N 0.187 120.362 120.200 -0.041 0.000 2.028 281 E HA -0.175 4.173 4.350 -0.004 0.000 0.191 281 E C 2.013 178.654 176.600 0.067 0.000 0.988 281 E CA 1.200 57.669 56.400 0.115 0.000 0.799 281 E CB 0.133 29.907 29.700 0.124 0.000 0.755 281 E HN 0.445 nan 8.360 nan 0.000 0.447 282 K N -0.970 119.454 120.400 0.039 0.000 2.379 282 K HA 0.028 4.346 4.320 -0.004 0.000 0.194 282 K C 0.050 176.399 176.600 -0.417 0.000 1.031 282 K CA 0.147 56.327 56.287 -0.178 0.000 1.037 282 K CB 0.412 32.764 32.500 -0.247 0.000 0.824 282 K HN 0.081 nan 8.250 nan 0.000 0.516 283 Y N 0.907 121.190 120.300 -0.028 0.000 2.562 283 Y HA 0.196 4.744 4.550 -0.005 0.000 0.363 283 Y C -1.905 173.880 175.900 -0.191 0.000 0.991 283 Y CA -2.223 55.832 58.100 -0.075 0.000 1.121 283 Y CB 0.842 39.341 38.460 0.065 0.000 1.159 283 Y HN -0.027 nan 8.280 nan 0.000 0.651 284 P HA -0.212 nan 4.420 nan 0.000 0.226 284 P C 0.356 177.326 177.300 -0.550 0.000 1.146 284 P CA 1.341 64.031 63.100 -0.682 0.000 0.773 284 P CB 0.354 31.791 31.700 -0.438 0.000 0.772 285 Q N -1.259 118.337 119.800 -0.340 0.000 2.364 285 Q HA -0.136 4.202 4.340 -0.004 0.000 0.207 285 Q C 1.656 177.505 176.000 -0.251 0.000 0.970 285 Q CA 1.029 56.653 55.803 -0.298 0.000 0.888 285 Q CB -0.849 27.699 28.738 -0.318 0.000 0.951 285 Q HN 0.475 nan 8.270 nan 0.000 0.469 286 H N -0.149 118.894 119.070 -0.045 0.000 2.548 286 H HA 0.121 4.675 4.556 -0.004 0.000 0.265 286 H C -0.120 175.206 175.328 -0.004 0.000 0.969 286 H CA 0.043 56.103 56.048 0.021 0.000 1.155 286 H CB -0.037 29.784 29.762 0.097 0.000 1.394 286 H HN 0.437 nan 8.280 nan 0.000 0.570 287 H N 0.130 119.121 119.070 -0.132 0.000 3.004 287 H HA 0.110 4.666 4.556 0.000 0.000 0.316 287 H C 1.224 175.994 175.328 -0.930 0.000 1.014 287 H CA 0.410 56.142 56.048 -0.528 0.000 1.454 287 H CB 0.642 30.247 29.762 -0.262 0.000 1.472 287 H HN 0.530 nan 8.280 nan 0.000 0.571 288 G N 3.050 110.641 108.800 -2.014 0.000 2.205 288 G HA2 -0.339 3.619 3.960 -0.004 0.000 0.261 288 G HA3 -0.339 3.619 3.960 -0.004 0.000 0.261 288 G C 0.950 175.458 174.900 -0.654 0.000 0.980 288 G CA 0.576 44.712 45.100 -1.607 0.000 0.632 288 G HN 0.625 nan 8.290 nan 0.000 0.533 289 K N -0.260 119.942 120.400 -0.330 0.000 2.402 289 K HA 0.466 4.784 4.320 -0.004 0.000 0.204 289 K C 1.024 177.692 176.600 0.113 0.000 1.056 289 K CA 0.567 56.828 56.287 -0.043 0.000 1.069 289 K CB 0.722 33.221 32.500 -0.000 0.000 0.888 289 K HN 0.717 nan 8.250 nan 0.000 0.546 290 I N -2.690 118.030 120.570 0.251 0.000 3.239 290 I HA 0.607 4.775 4.170 -0.004 0.000 0.314 290 I C -1.361 175.071 176.117 0.526 0.000 1.126 290 I CA -1.472 60.021 61.300 0.323 0.000 0.973 290 I CB 2.250 40.406 38.000 0.259 0.000 1.252 290 I HN -0.252 nan 8.210 nan 0.000 0.463 291 R N 1.708 122.420 120.500 0.353 0.000 2.535 291 R HA 0.389 4.727 4.340 -0.004 0.000 0.274 291 R C -2.314 174.068 176.300 0.137 0.000 1.090 291 R CA -0.576 55.683 56.100 0.265 0.000 0.930 291 R CB 1.682 32.056 30.300 0.123 0.000 1.223 291 R HN 0.707 nan 8.270 nan 0.000 0.441 292 Y N 2.958 123.125 120.300 -0.222 0.000 2.334 292 Y HA 0.513 5.063 4.550 0.001 0.000 0.336 292 Y C -1.260 174.493 175.900 -0.245 0.000 0.960 292 Y CA -0.660 57.174 58.100 -0.443 0.000 1.164 292 Y CB 1.783 39.498 38.460 -1.241 0.000 1.155 292 Y HN 0.538 nan 8.280 nan 0.000 0.478 293 T N 6.979 121.507 114.554 -0.044 0.000 2.771 293 T HA 0.287 4.635 4.350 -0.004 0.000 0.281 293 T C -0.944 173.543 174.700 -0.355 0.000 0.982 293 T CA -0.507 61.504 62.100 -0.148 0.000 0.978 293 T CB 0.959 69.895 68.868 0.113 0.000 0.930 293 T HN 0.578 nan 8.240 nan 0.000 0.447 294 Q N 3.720 123.268 119.800 -0.420 0.000 2.348 294 Q HA 0.533 4.871 4.340 -0.004 0.000 0.265 294 Q C -1.307 174.597 176.000 -0.161 0.000 0.998 294 Q CA -0.392 55.251 55.803 -0.267 0.000 0.831 294 Q CB 0.541 29.240 28.738 -0.065 0.000 1.251 294 Q HN 0.652 nan 8.270 nan 0.000 0.456 295 I N 2.945 123.356 120.570 -0.264 0.000 2.336 295 I HA 0.714 4.882 4.170 -0.004 0.000 0.292 295 I C -0.498 175.596 176.117 -0.038 0.000 0.991 295 I CA -0.910 60.291 61.300 -0.166 0.000 1.227 295 I CB 1.710 39.544 38.000 -0.276 0.000 1.366 295 I HN 0.779 nan 8.210 nan 0.000 0.466 296 A N 8.651 131.483 122.820 0.020 0.000 3.005 296 A HA 0.502 4.819 4.320 -0.004 0.000 0.308 296 A C -2.743 174.887 177.584 0.077 0.000 1.173 296 A CA -1.152 50.934 52.037 0.081 0.000 0.796 296 A CB 0.315 19.425 19.000 0.185 0.000 1.325 296 A HN 0.348 nan 8.150 nan 0.000 0.467 297 P HA 0.144 nan 4.420 nan 0.000 0.268 297 P C 0.233 177.578 177.300 0.075 0.000 1.205 297 P CA 0.563 63.723 63.100 0.101 0.000 0.771 297 P CB 0.587 32.389 31.700 0.170 0.000 0.858 298 T N 1.913 116.499 114.554 0.053 0.000 2.928 298 T HA 0.161 4.508 4.350 -0.004 0.000 0.305 298 T C 0.516 175.213 174.700 -0.005 0.000 1.035 298 T CA 0.732 62.852 62.100 0.033 0.000 1.145 298 T CB -0.147 68.733 68.868 0.020 0.000 0.963 298 T HN 0.373 nan 8.240 nan 0.000 0.545 299 S N 2.526 118.199 115.700 -0.044 0.000 2.521 299 S HA 0.449 4.916 4.470 -0.004 0.000 0.295 299 S C -0.025 174.347 174.600 -0.380 0.000 1.098 299 S CA -0.883 57.219 58.200 -0.164 0.000 0.999 299 S CB 0.448 63.548 63.200 -0.166 0.000 1.034 299 S HN 0.771 nan 8.310 nan 0.000 0.483 300 R N 2.152 122.431 120.500 -0.369 0.000 3.416 300 R HA -0.160 4.177 4.340 -0.004 0.000 0.263 300 R C 1.092 177.179 176.300 -0.355 0.000 1.053 300 R CA 0.654 56.452 56.100 -0.505 0.000 0.705 300 R CB -2.045 27.581 30.300 -1.123 0.000 1.124 300 R HN 0.798 nan 8.270 nan 0.000 0.444 301 G N -0.137 108.577 108.800 -0.142 0.000 2.679 301 G HA2 -0.180 3.778 3.960 -0.004 0.000 0.212 301 G HA3 -0.180 3.778 3.960 -0.004 0.000 0.212 301 G C 0.838 175.742 174.900 0.006 0.000 1.137 301 G CA 0.445 45.523 45.100 -0.036 0.000 0.787 301 G HN 0.311 nan 8.290 nan 0.000 0.534 302 D N -0.064 120.334 120.400 -0.003 0.000 2.347 302 D HA 0.024 4.662 4.640 -0.004 0.000 0.213 302 D C 0.932 177.260 176.300 0.045 0.000 0.985 302 D CA 0.222 54.239 54.000 0.030 0.000 0.879 302 D CB 0.524 41.349 40.800 0.041 0.000 0.919 302 D HN 0.082 nan 8.370 nan 0.000 0.526 303 V N 1.965 121.910 119.914 0.051 0.000 2.461 303 V HA 0.002 4.120 4.120 -0.004 0.000 0.275 303 V C 1.435 177.635 176.094 0.177 0.000 1.047 303 V CA -0.278 62.096 62.300 0.125 0.000 0.955 303 V CB 1.713 33.646 31.823 0.184 0.000 0.988 303 V HN -0.117 nan 8.190 nan 0.000 0.471 304 Q N 5.590 125.461 119.800 0.118 0.000 2.077 304 Q HA -0.226 4.112 4.340 -0.004 0.000 0.206 304 Q C 2.092 178.142 176.000 0.083 0.000 0.989 304 Q CA 2.581 58.438 55.803 0.089 0.000 0.853 304 Q CB -0.380 28.393 28.738 0.057 0.000 0.907 304 Q HN 0.926 nan 8.270 nan 0.000 0.418 305 A N -1.001 121.864 122.820 0.076 0.000 1.978 305 A HA -0.191 4.127 4.320 -0.004 0.000 0.220 305 A C 1.818 179.397 177.584 -0.009 0.000 1.170 305 A CA 1.575 53.596 52.037 -0.027 0.000 0.636 305 A CB -0.890 18.018 19.000 -0.153 0.000 0.810 305 A HN 0.582 nan 8.150 nan 0.000 0.448 306 Y N -0.188 120.176 120.300 0.106 0.000 2.220 306 Y HA -0.179 4.368 4.550 -0.005 0.000 0.291 306 Y C 2.761 178.642 175.900 -0.032 0.000 1.129 306 Y CA 1.753 59.888 58.100 0.059 0.000 1.161 306 Y CB -0.433 38.025 38.460 -0.003 0.000 0.997 306 Y HN 0.393 nan 8.280 nan 0.000 0.522 307 Q N 0.090 119.941 119.800 0.085 0.000 2.061 307 Q HA -0.218 4.120 4.340 -0.004 0.000 0.204 307 Q C 1.641 177.530 176.000 -0.184 0.000 0.984 307 Q CA 1.703 57.444 55.803 -0.102 0.000 0.846 307 Q CB -0.209 28.524 28.738 -0.008 0.000 0.902 307 Q HN 0.449 nan 8.270 nan 0.000 0.421 308 D N 0.527 120.915 120.400 -0.019 0.000 2.123 308 D HA -0.163 4.475 4.640 -0.004 0.000 0.196 308 D C 1.767 178.055 176.300 -0.019 0.000 0.992 308 D CA 0.892 54.904 54.000 0.020 0.000 0.833 308 D CB -0.184 40.621 40.800 0.009 0.000 0.954 308 D HN 0.164 nan 8.370 nan 0.000 0.455 309 I N 0.548 121.092 120.570 -0.043 0.000 2.315 309 I HA -0.167 4.001 4.170 -0.004 0.000 0.248 309 I C 2.318 178.392 176.117 -0.072 0.000 1.117 309 I CA 1.009 62.280 61.300 -0.048 0.000 1.404 309 I CB -0.025 37.961 38.000 -0.023 0.000 1.071 309 I HN -0.172 nan 8.210 nan 0.000 0.419 310 R N -0.585 119.862 120.500 -0.089 0.000 2.073 310 R HA -0.220 4.118 4.340 -0.004 0.000 0.234 310 R C 2.417 178.670 176.300 -0.078 0.000 1.134 310 R CA 1.717 57.762 56.100 -0.092 0.000 0.952 310 R CB -0.391 29.827 30.300 -0.136 0.000 0.850 310 R HN 0.444 nan 8.270 nan 0.000 0.433 311 H N 0.178 119.260 119.070 0.019 0.000 2.387 311 H HA -0.159 4.394 4.556 -0.005 0.000 0.299 311 H C 1.937 177.251 175.328 -0.024 0.000 1.090 311 H CA 1.746 57.799 56.048 0.009 0.000 1.332 311 H CB -0.293 29.477 29.762 0.014 0.000 1.386 311 H HN 0.459 nan 8.280 nan 0.000 0.516 312 Q N 0.186 120.023 119.800 0.062 0.000 2.050 312 Q HA -0.127 4.211 4.340 -0.004 0.000 0.202 312 Q C 2.226 178.176 176.000 -0.083 0.000 0.980 312 Q CA 0.998 56.798 55.803 -0.005 0.000 0.840 312 Q CB -0.054 28.668 28.738 -0.028 0.000 0.898 312 Q HN 0.219 nan 8.270 nan 0.000 0.424 313 L N 1.279 122.397 121.223 -0.174 0.000 2.046 313 L HA -0.164 4.174 4.340 -0.004 0.000 0.208 313 L C 1.927 178.600 176.870 -0.329 0.000 1.077 313 L CA 1.871 56.484 54.840 -0.379 0.000 0.747 313 L CB -0.374 41.379 42.059 -0.510 0.000 0.896 313 L HN 0.257 nan 8.230 nan 0.000 0.432 314 E N -0.924 119.172 120.200 -0.174 0.000 2.085 314 E HA -0.257 4.090 4.350 -0.004 0.000 0.194 314 E C 2.016 178.617 176.600 0.001 0.000 0.994 314 E CA 1.227 57.599 56.400 -0.046 0.000 0.801 314 E CB -0.284 29.486 29.700 0.116 0.000 0.743 314 E HN 0.519 nan 8.360 nan 0.000 0.453 315 N N 0.679 119.387 118.700 0.014 0.000 2.084 315 N HA -0.200 4.538 4.740 -0.004 0.000 0.190 315 N C 1.614 177.151 175.510 0.045 0.000 1.030 315 N CA 1.048 54.115 53.050 0.029 0.000 0.849 315 N CB 0.150 38.653 38.487 0.028 0.000 1.012 315 N HN 0.137 nan 8.380 nan 0.000 0.423 316 E N 0.810 121.047 120.200 0.062 0.000 2.110 316 E HA -0.121 4.227 4.350 -0.004 0.000 0.193 316 E C 1.931 178.644 176.600 0.189 0.000 0.988 316 E CA 0.847 57.343 56.400 0.160 0.000 0.804 316 E CB -0.346 29.498 29.700 0.240 0.000 0.745 316 E HN 0.456 nan 8.360 nan 0.000 0.458 317 A N 1.286 124.201 122.820 0.158 0.000 1.877 317 A HA -0.090 4.228 4.320 -0.004 0.000 0.216 317 A C 2.527 180.119 177.584 0.013 0.000 1.186 317 A CA 1.976 54.039 52.037 0.043 0.000 0.620 317 A CB -1.166 17.850 19.000 0.027 0.000 0.822 317 A HN 0.340 nan 8.150 nan 0.000 0.443 318 G N -0.680 108.138 108.800 0.030 0.000 2.446 318 G HA2 -0.285 3.673 3.960 -0.004 0.000 0.217 318 G HA3 -0.285 3.673 3.960 -0.004 0.000 0.217 318 G C 1.771 176.679 174.900 0.013 0.000 1.168 318 G CA 1.142 46.252 45.100 0.016 0.000 0.771 318 G HN 0.564 nan 8.290 nan 0.000 0.551 319 R N -0.064 120.455 120.500 0.033 0.000 2.066 319 R HA 0.054 4.392 4.340 -0.004 0.000 0.232 319 R C 2.595 178.921 176.300 0.044 0.000 1.131 319 R CA 1.203 57.323 56.100 0.035 0.000 0.955 319 R CB -0.305 30.026 30.300 0.053 0.000 0.851 319 R HN 0.429 nan 8.270 nan 0.000 0.432 320 I N 1.183 121.798 120.570 0.077 0.000 2.163 320 I HA -0.270 3.897 4.170 -0.004 0.000 0.240 320 I C 1.830 178.007 176.117 0.101 0.000 1.081 320 I CA 1.044 62.427 61.300 0.139 0.000 1.353 320 I CB -0.416 37.658 38.000 0.123 0.000 1.054 320 I HN 0.228 nan 8.210 nan 0.000 0.407 321 N N 1.206 119.907 118.700 0.001 0.000 2.205 321 N HA -0.142 4.596 4.740 -0.004 0.000 0.186 321 N C 1.869 177.353 175.510 -0.043 0.000 1.015 321 N CA 1.615 54.630 53.050 -0.057 0.000 0.862 321 N CB -0.687 37.733 38.487 -0.113 0.000 0.986 321 N HN 0.451 nan 8.380 nan 0.000 0.429 322 G N 0.702 109.483 108.800 -0.032 0.000 2.432 322 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.219 322 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.219 322 G C 1.635 176.492 174.900 -0.072 0.000 1.135 322 G CA 0.845 45.920 45.100 -0.042 0.000 0.767 322 G HN 0.355 nan 8.290 nan 0.000 0.550 323 K N -1.236 119.099 120.400 -0.109 0.000 2.202 323 K HA 0.138 4.456 4.320 -0.004 0.000 0.201 323 K C 1.478 177.835 176.600 -0.405 0.000 1.051 323 K CA 0.333 56.450 56.287 -0.284 0.000 0.977 323 K CB 0.056 32.319 32.500 -0.395 0.000 0.792 323 K HN 0.374 nan 8.250 nan 0.000 0.469 324 Y N -0.023 120.249 120.300 -0.048 0.000 2.445 324 Y HA 0.327 4.873 4.550 -0.007 0.000 0.247 324 Y C 1.037 176.907 175.900 -0.050 0.000 1.129 324 Y CA -0.324 57.740 58.100 -0.060 0.000 1.251 324 Y CB 0.645 39.038 38.460 -0.112 0.000 1.176 324 Y HN 0.026 nan 8.280 nan 0.000 0.522 325 G N 0.603 109.417 108.800 0.022 0.000 2.636 325 G HA2 0.413 4.370 3.960 -0.004 0.000 0.246 325 G HA3 0.413 4.370 3.960 -0.004 0.000 0.246 325 G C -0.397 174.572 174.900 0.115 0.000 1.216 325 G CA -0.230 44.861 45.100 -0.015 0.000 0.854 325 G HN 0.230 nan 8.290 nan 0.000 0.572 326 Q N -0.767 119.141 119.800 0.181 0.000 2.605 326 Q HA 0.357 4.695 4.340 -0.004 0.000 0.296 326 Q C 1.249 177.334 176.000 0.143 0.000 1.056 326 Q CA -1.025 54.891 55.803 0.188 0.000 0.778 326 Q CB 2.071 30.975 28.738 0.277 0.000 1.497 326 Q HN 0.340 nan 8.270 nan 0.000 0.443 327 L N -0.014 121.277 121.223 0.113 0.000 2.127 327 L HA -0.103 4.235 4.340 -0.004 0.000 0.211 327 L C 1.290 178.224 176.870 0.107 0.000 1.089 327 L CA 1.644 56.535 54.840 0.086 0.000 0.757 327 L CB -0.153 41.947 42.059 0.067 0.000 0.899 327 L HN 0.852 nan 8.230 nan 0.000 0.434 328 G N -2.471 106.421 108.800 0.154 0.000 4.222 328 G HA2 0.187 4.145 3.960 -0.004 0.000 0.301 328 G HA3 0.187 4.145 3.960 -0.004 0.000 0.301 328 G C -1.256 173.832 174.900 0.315 0.000 1.171 328 G CA -0.220 44.989 45.100 0.181 0.000 0.937 328 G HN 0.208 nan 8.290 nan 0.000 0.557 329 W N 1.248 122.593 121.300 0.074 0.000 3.473 329 W HA 0.460 5.121 4.660 0.001 0.000 0.324 329 W C -1.112 175.469 176.519 0.103 0.000 1.099 329 W CA -0.848 56.558 57.345 0.102 0.000 1.277 329 W CB 0.880 30.396 29.460 0.093 0.000 1.216 329 W HN -0.064 nan 8.180 nan 0.000 0.423 330 T N 8.352 122.720 114.554 -0.311 0.000 2.738 330 T HA 0.207 4.555 4.350 -0.004 0.000 0.298 330 T C -1.643 172.606 174.700 -0.751 0.000 0.962 330 T CA -1.017 60.810 62.100 -0.455 0.000 0.972 330 T CB 1.495 70.166 68.868 -0.328 0.000 0.928 330 T HN 0.191 nan 8.240 nan 0.000 0.474 331 P HA 0.041 nan 4.420 nan 0.000 0.220 331 P C 0.149 177.397 177.300 -0.088 0.000 1.148 331 P CA 0.592 63.199 63.100 -0.821 0.000 0.803 331 P CB 0.495 31.810 31.700 -0.641 0.000 0.782 332 L N -1.186 119.958 121.223 -0.132 0.000 2.439 332 L HA 0.429 4.767 4.340 -0.004 0.000 0.270 332 L C -1.393 175.379 176.870 -0.163 0.000 0.972 332 L CA -1.060 53.662 54.840 -0.195 0.000 0.836 332 L CB 1.576 43.457 42.059 -0.297 0.000 1.255 332 L HN -0.272 nan 8.230 nan 0.000 0.404 333 Y N 4.658 124.768 120.300 -0.317 0.000 2.478 333 Y HA 0.274 4.831 4.550 0.010 0.000 0.329 333 Y C -0.685 175.114 175.900 -0.169 0.000 0.967 333 Y CA -0.470 57.521 58.100 -0.181 0.000 1.255 333 Y CB 0.945 39.334 38.460 -0.119 0.000 1.103 333 Y HN 0.419 nan 8.280 nan 0.000 0.497 334 Y N 4.750 124.969 120.300 -0.135 0.000 2.335 334 Y HA 0.669 5.214 4.550 -0.008 0.000 0.339 334 Y C -1.548 174.359 175.900 0.012 0.000 0.987 334 Y CA -1.466 56.597 58.100 -0.061 0.000 1.140 334 Y CB 0.603 39.076 38.460 0.022 0.000 1.173 334 Y HN 0.461 nan 8.280 nan 0.000 0.486 335 L N 7.316 128.265 121.223 -0.456 0.000 2.372 335 L HA 0.347 4.685 4.340 -0.004 0.000 0.274 335 L C -0.021 176.587 176.870 -0.438 0.000 0.988 335 L CA -0.505 54.121 54.840 -0.357 0.000 0.833 335 L CB 1.717 43.774 42.059 -0.004 0.000 1.236 335 L HN 0.736 nan 8.230 nan 0.000 0.410 336 N N 3.902 122.310 118.700 -0.487 0.000 3.209 336 N HA 0.195 4.933 4.740 -0.004 0.000 0.309 336 N C -0.848 174.624 175.510 -0.063 0.000 1.384 336 N CA -0.214 52.673 53.050 -0.272 0.000 1.173 336 N CB 0.461 38.816 38.487 -0.221 0.000 1.460 336 N HN 0.686 nan 8.380 nan 0.000 0.534 337 Q N 0.327 120.143 119.800 0.027 0.000 2.416 337 Q HA 0.156 4.494 4.340 -0.004 0.000 0.281 337 Q C -1.402 174.714 176.000 0.194 0.000 1.067 337 Q CA -0.872 54.982 55.803 0.085 0.000 0.809 337 Q CB 1.998 30.770 28.738 0.057 0.000 1.418 337 Q HN 0.409 nan 8.270 nan 0.000 0.411 338 H N 0.697 119.789 119.070 0.036 0.000 2.580 338 H HA 0.442 4.996 4.556 -0.004 0.000 0.322 338 H C -1.515 173.823 175.328 0.017 0.000 1.082 338 H CA -0.036 56.057 56.048 0.075 0.000 1.383 338 H CB 0.423 30.188 29.762 0.005 0.000 1.450 338 H HN 0.343 nan 8.280 nan 0.000 0.505 339 F N 2.697 122.267 119.950 -0.634 0.000 2.480 339 F HA 0.161 4.683 4.527 -0.009 0.000 0.329 339 F C 0.166 175.616 175.800 -0.582 0.000 1.091 339 F CA -0.963 56.781 58.000 -0.427 0.000 0.972 339 F CB 1.213 40.087 39.000 -0.210 0.000 1.150 339 F HN 0.632 nan 8.300 nan 0.000 0.467 340 D N 2.314 122.635 120.400 -0.131 0.000 2.488 340 D HA -0.031 4.606 4.640 -0.004 0.000 0.238 340 D C 1.434 177.717 176.300 -0.029 0.000 1.138 340 D CA 0.473 54.455 54.000 -0.030 0.000 0.873 340 D CB 0.758 41.535 40.800 -0.039 0.000 1.183 340 D HN 0.606 nan 8.370 nan 0.000 0.458 341 R N 3.219 123.721 120.500 0.003 0.000 2.091 341 R HA -0.173 4.165 4.340 -0.004 0.000 0.238 341 R C 1.905 178.190 176.300 -0.026 0.000 1.136 341 R CA 1.371 57.471 56.100 -0.001 0.000 0.959 341 R CB 0.058 30.390 30.300 0.053 0.000 0.856 341 R HN 0.479 nan 8.270 nan 0.000 0.437 342 K N 0.144 120.538 120.400 -0.010 0.000 2.059 342 K HA -0.217 4.100 4.320 -0.004 0.000 0.212 342 K C 2.021 178.592 176.600 -0.049 0.000 1.050 342 K CA 1.637 57.912 56.287 -0.020 0.000 0.927 342 K CB -0.224 32.267 32.500 -0.015 0.000 0.714 342 K HN 0.128 nan 8.250 nan 0.000 0.447 343 L N 1.433 122.627 121.223 -0.049 0.000 2.109 343 L HA 0.012 4.350 4.340 -0.004 0.000 0.207 343 L C 0.954 177.740 176.870 -0.141 0.000 1.086 343 L CA 1.101 55.911 54.840 -0.050 0.000 0.760 343 L CB -0.237 41.833 42.059 0.019 0.000 0.910 343 L HN 0.060 nan 8.230 nan 0.000 0.437 347 I N 1.689 122.112 120.570 -0.244 0.000 2.394 347 I HA -0.187 3.981 4.170 -0.004 0.000 0.251 347 I C 1.786 177.674 176.117 -0.382 0.000 1.136 347 I CA 1.267 62.337 61.300 -0.384 0.000 1.425 347 I CB -0.195 37.373 38.000 -0.720 0.000 1.079 347 I HN 0.032 nan 8.210 nan 0.000 0.425 348 F N 1.115 120.870 119.950 -0.326 0.000 2.065 348 F HA -0.253 4.272 4.527 -0.004 0.000 0.298 348 F C 2.723 178.319 175.800 -0.339 0.000 1.112 348 F CA 1.472 59.353 58.000 -0.197 0.000 1.212 348 F CB -1.261 37.665 39.000 -0.124 0.000 0.975 348 F HN -0.002 nan 8.300 nan 0.000 0.476 349 R N -0.890 119.486 120.500 -0.208 0.000 2.117 349 R HA -0.207 4.131 4.340 -0.004 0.000 0.243 349 R C 1.729 177.706 176.300 -0.537 0.000 1.143 349 R CA 1.679 57.489 56.100 -0.484 0.000 0.968 349 R CB -0.507 29.361 30.300 -0.719 0.000 0.863 349 R HN 0.344 nan 8.270 nan 0.000 0.444 350 Y N -0.494 119.747 120.300 -0.098 0.000 2.457 350 Y HA 0.262 4.810 4.550 -0.003 0.000 0.263 350 Y C 0.295 176.162 175.900 -0.055 0.000 1.164 350 Y CA -0.576 57.473 58.100 -0.085 0.000 1.274 350 Y CB 0.766 39.167 38.460 -0.099 0.000 1.097 350 Y HN -0.084 nan 8.280 nan 0.000 0.523 351 S N 0.730 116.467 115.700 0.061 0.000 2.562 351 S HA 0.037 4.505 4.470 -0.004 0.000 0.275 351 S C 0.548 175.245 174.600 0.161 0.000 1.281 351 S CA -0.661 57.627 58.200 0.147 0.000 1.045 351 S CB 0.877 64.263 63.200 0.311 0.000 0.962 351 S HN 0.346 nan 8.310 nan 0.000 0.503 352 D N 0.885 121.375 120.400 0.150 0.000 2.249 352 D HA 0.037 4.675 4.640 -0.004 0.000 0.205 352 D C -0.066 176.335 176.300 0.168 0.000 0.962 352 D CA 1.054 55.125 54.000 0.119 0.000 0.860 352 D CB 0.373 41.218 40.800 0.075 0.000 0.955 352 D HN 0.207 nan 8.370 nan 0.000 0.505 353 V N 0.496 120.525 119.914 0.191 0.000 2.655 353 V HA 0.473 4.591 4.120 -0.004 0.000 0.301 353 V C 0.032 176.066 176.094 -0.100 0.000 1.082 353 V CA -1.084 61.261 62.300 0.075 0.000 0.899 353 V CB 1.972 33.779 31.823 -0.027 0.000 1.014 353 V HN 0.032 nan 8.190 nan 0.000 0.429 354 G N 4.029 112.446 108.800 -0.638 0.000 2.370 354 G HA2 0.633 4.591 3.960 -0.004 0.000 0.317 354 G HA3 0.633 4.591 3.960 -0.004 0.000 0.317 354 G C -0.977 173.552 174.900 -0.620 0.000 1.162 354 G CA -0.453 43.930 45.100 -1.194 0.000 0.922 354 G HN 0.621 nan 8.290 nan 0.000 0.454 355 L N 3.732 124.736 121.223 -0.366 0.000 2.277 355 L HA 0.490 4.828 4.340 -0.004 0.000 0.284 355 L C -0.784 175.968 176.870 -0.197 0.000 1.028 355 L CA -0.691 53.989 54.840 -0.266 0.000 0.835 355 L CB 1.541 43.428 42.059 -0.287 0.000 1.215 355 L HN 0.211 nan 8.230 nan 0.000 0.425 356 V N 3.102 122.914 119.914 -0.169 0.000 2.320 356 V HA 0.229 4.347 4.120 -0.004 0.000 0.268 356 V C 0.256 176.316 176.094 -0.056 0.000 1.021 356 V CA -0.357 61.885 62.300 -0.097 0.000 0.813 356 V CB 1.284 33.048 31.823 -0.097 0.000 1.054 356 V HN 0.821 nan 8.190 nan 0.000 0.444 357 T N 1.493 116.026 114.554 -0.036 0.000 3.514 357 T HA 0.360 4.708 4.350 -0.004 0.000 0.259 357 T C -2.283 172.424 174.700 0.011 0.000 1.466 357 T CA -1.675 60.414 62.100 -0.019 0.000 1.562 357 T CB 0.764 69.606 68.868 -0.044 0.000 0.924 357 T HN 0.388 nan 8.240 nan 0.000 0.678 358 P HA 0.134 nan 4.420 nan 0.000 0.269 358 P C 0.619 177.973 177.300 0.091 0.000 1.215 358 P CA -0.551 62.590 63.100 0.069 0.000 0.780 358 P CB 1.037 32.802 31.700 0.109 0.000 0.898 359 L N 1.105 122.355 121.223 0.044 0.000 2.156 359 L HA 0.077 4.415 4.340 -0.004 0.000 0.208 359 L C 1.402 178.306 176.870 0.056 0.000 1.095 359 L CA 1.617 56.456 54.840 -0.003 0.000 0.770 359 L CB -1.112 40.917 42.059 -0.050 0.000 0.914 359 L HN 0.531 nan 8.230 nan 0.000 0.439 360 R N -0.882 119.689 120.500 0.119 0.000 2.560 360 R HA 0.357 4.695 4.340 -0.004 0.000 0.267 360 R C -1.793 174.649 176.300 0.236 0.000 1.150 360 R CA -0.275 55.910 56.100 0.142 0.000 0.997 360 R CB 1.211 31.571 30.300 0.099 0.000 1.250 360 R HN -0.145 nan 8.270 nan 0.000 0.433 361 D N 2.335 122.855 120.400 0.201 0.000 2.977 361 D HA 0.303 4.941 4.640 -0.004 0.000 0.220 361 D C -0.095 176.313 176.300 0.180 0.000 1.267 361 D CA -0.168 53.965 54.000 0.222 0.000 0.884 361 D CB 1.940 42.859 40.800 0.198 0.000 1.667 361 D HN 0.641 nan 8.370 nan 0.000 0.536 365 L N 1.304 122.598 121.223 0.118 0.000 2.217 365 L HA 0.004 4.342 4.340 -0.004 0.000 0.211 365 L C 2.170 179.109 176.870 0.114 0.000 1.107 365 L CA 0.716 55.615 54.840 0.098 0.000 0.783 365 L CB -0.015 42.099 42.059 0.091 0.000 0.919 365 L HN 0.288 nan 8.230 nan 0.000 0.442 366 V N 0.606 120.602 119.914 0.137 0.000 2.324 366 V HA -0.363 3.755 4.120 -0.004 0.000 0.250 366 V C 2.810 178.914 176.094 0.016 0.000 1.060 366 V CA 1.994 64.385 62.300 0.153 0.000 1.042 366 V CB -0.805 31.128 31.823 0.184 0.000 0.650 366 V HN 0.518 nan 8.190 nan 0.000 0.450 367 A N -0.493 122.338 122.820 0.018 0.000 1.902 367 A HA -0.249 4.068 4.320 -0.004 0.000 0.217 367 A C 2.296 179.894 177.584 0.024 0.000 1.181 367 A CA 2.048 54.081 52.037 -0.007 0.000 0.623 367 A CB -0.408 18.596 19.000 0.005 0.000 0.818 367 A HN 0.564 nan 8.150 nan 0.000 0.443 368 K N -0.524 119.898 120.400 0.037 0.000 2.103 368 K HA -0.095 4.222 4.320 -0.004 0.000 0.204 368 K C 1.959 178.583 176.600 0.040 0.000 1.052 368 K CA 1.393 57.703 56.287 0.038 0.000 0.945 368 K CB -0.136 32.388 32.500 0.040 0.000 0.722 368 K HN 0.600 nan 8.250 nan 0.000 0.443 369 E N -0.004 120.235 120.200 0.064 0.000 2.110 369 E HA -0.217 4.131 4.350 -0.004 0.000 0.193 369 E C 1.768 178.375 176.600 0.012 0.000 0.988 369 E CA 1.095 57.569 56.400 0.124 0.000 0.804 369 E CB -0.130 29.759 29.700 0.315 0.000 0.745 369 E HN 0.304 nan 8.360 nan 0.000 0.458 370 Y N 0.963 121.028 120.300 -0.392 0.000 2.128 370 Y HA -0.269 4.279 4.550 -0.005 0.000 0.284 370 Y C 2.314 178.105 175.900 -0.180 0.000 1.154 370 Y CA 1.684 59.415 58.100 -0.616 0.000 1.149 370 Y CB -0.253 37.796 38.460 -0.685 0.000 0.976 370 Y HN 0.005 nan 8.280 nan 0.000 0.505 371 V N 0.139 120.038 119.914 -0.025 0.000 2.379 371 V HA -0.114 4.004 4.120 -0.004 0.000 0.245 371 V C 2.206 178.345 176.094 0.076 0.000 1.044 371 V CA 1.926 64.251 62.300 0.041 0.000 1.036 371 V CB -1.327 30.527 31.823 0.053 0.000 0.664 371 V HN 0.425 nan 8.190 nan 0.000 0.453 372 A N 0.116 122.954 122.820 0.029 0.000 2.070 372 A HA 0.152 4.469 4.320 -0.004 0.000 0.220 372 A C 2.342 179.947 177.584 0.035 0.000 1.159 372 A CA 2.087 54.151 52.037 0.044 0.000 0.656 372 A CB -0.810 18.215 19.000 0.041 0.000 0.800 372 A HN 1.097 nan 8.150 nan 0.000 0.453 373 A N -1.543 121.270 122.820 -0.011 0.000 2.095 373 A HA 0.192 4.510 4.320 -0.004 0.000 0.212 373 A C 0.977 178.463 177.584 -0.164 0.000 1.162 373 A CA -0.071 51.938 52.037 -0.048 0.000 0.753 373 A CB -0.070 18.955 19.000 0.041 0.000 0.840 373 A HN 0.428 nan 8.150 nan 0.000 0.468 374 Q N 1.367 121.030 119.800 -0.229 0.000 2.386 374 Q HA 0.043 4.381 4.340 -0.004 0.000 0.282 374 Q C -0.576 175.236 176.000 -0.315 0.000 1.050 374 Q CA 0.068 55.652 55.803 -0.364 0.000 0.918 374 Q CB 0.263 28.673 28.738 -0.547 0.000 1.266 374 Q HN 0.406 nan 8.270 nan 0.000 0.423 375 D N 3.764 123.975 120.400 -0.314 0.000 2.363 375 D HA 0.024 4.662 4.640 -0.004 0.000 0.263 375 D C -1.526 174.618 176.300 -0.260 0.000 1.258 375 D CA -1.736 52.127 54.000 -0.228 0.000 0.907 375 D CB 0.825 41.512 40.800 -0.187 0.000 1.107 375 D HN 0.162 nan 8.370 nan 0.000 0.495 376 P HA -0.174 nan 4.420 nan 0.000 0.217 376 P C 0.906 178.152 177.300 -0.090 0.000 1.148 376 P CA 1.150 64.180 63.100 -0.115 0.000 0.828 376 P CB 0.100 31.821 31.700 0.035 0.000 0.783 377 A N -1.267 121.509 122.820 -0.074 0.000 2.119 377 A HA -0.066 4.252 4.320 -0.004 0.000 0.217 377 A C 1.318 178.866 177.584 -0.060 0.000 1.153 377 A CA 1.070 53.078 52.037 -0.048 0.000 0.692 377 A CB -0.794 18.186 19.000 -0.032 0.000 0.799 377 A HN 0.209 nan 8.150 nan 0.000 0.458 378 N N -0.737 117.903 118.700 -0.101 0.000 2.732 378 N HA 0.191 4.929 4.740 -0.004 0.000 0.230 378 N C -3.364 172.059 175.510 -0.145 0.000 1.487 378 N CA -1.241 51.755 53.050 -0.090 0.000 0.765 378 N CB 1.091 39.547 38.487 -0.052 0.000 1.384 378 N HN 0.056 nan 8.380 nan 0.000 0.530 379 P HA 0.371 nan 4.420 nan 0.000 0.286 379 P C 0.640 177.858 177.300 -0.137 0.000 1.261 379 P CA -0.096 62.827 63.100 -0.295 0.000 0.821 379 P CB 1.210 32.594 31.700 -0.527 0.000 1.013 380 G N 0.884 109.611 108.800 -0.121 0.000 2.653 380 G HA2 0.409 4.367 3.960 -0.004 0.000 0.265 380 G HA3 0.409 4.367 3.960 -0.004 0.000 0.265 380 G C -0.670 174.314 174.900 0.139 0.000 1.237 380 G CA -0.482 44.644 45.100 0.043 0.000 0.946 380 G HN 0.379 nan 8.290 nan 0.000 0.522 381 V N 0.214 120.246 119.914 0.196 0.000 2.513 381 V HA 0.359 4.477 4.120 -0.004 0.000 0.299 381 V C -0.253 175.929 176.094 0.147 0.000 1.035 381 V CA -0.782 61.608 62.300 0.149 0.000 0.889 381 V CB 1.447 33.303 31.823 0.055 0.000 0.988 381 V HN 0.580 nan 8.190 nan 0.000 0.440 382 L N 6.039 127.327 121.223 0.109 0.000 2.265 382 L HA 0.547 4.885 4.340 -0.004 0.000 0.288 382 L C -0.312 176.505 176.870 -0.088 0.000 1.058 382 L CA 0.300 55.113 54.840 -0.045 0.000 0.809 382 L CB 1.320 43.410 42.059 0.050 0.000 1.179 382 L HN 0.471 nan 8.230 nan 0.000 0.429 383 V N 7.002 126.820 119.914 -0.160 0.000 2.370 383 V HA 0.441 4.559 4.120 -0.004 0.000 0.283 383 V C -0.154 175.864 176.094 -0.126 0.000 1.023 383 V CA -0.548 61.676 62.300 -0.126 0.000 0.857 383 V CB 1.374 33.115 31.823 -0.137 0.000 0.985 383 V HN 0.616 nan 8.190 nan 0.000 0.443 384 L N 4.039 125.207 121.223 -0.091 0.000 2.410 384 L HA 0.525 4.863 4.340 -0.004 0.000 0.270 384 L C 0.320 177.145 176.870 -0.075 0.000 0.983 384 L CA -0.252 54.543 54.840 -0.076 0.000 0.822 384 L CB 2.361 44.386 42.059 -0.057 0.000 1.285 384 L HN 0.730 nan 8.230 nan 0.000 0.409 385 S N 2.709 118.374 115.700 -0.059 0.000 2.549 385 S HA 0.017 4.485 4.470 -0.004 0.000 0.286 385 S C 1.162 175.678 174.600 -0.139 0.000 1.314 385 S CA -0.103 58.053 58.200 -0.074 0.000 1.062 385 S CB 0.950 64.164 63.200 0.022 0.000 0.865 385 S HN 0.774 nan 8.310 nan 0.000 0.498 386 Q N 3.304 122.915 119.800 -0.316 0.000 2.439 386 Q HA -0.110 4.227 4.340 -0.004 0.000 0.211 386 Q C 0.383 176.148 176.000 -0.391 0.000 0.978 386 Q CA 1.539 57.101 55.803 -0.402 0.000 0.897 386 Q CB -0.411 27.996 28.738 -0.551 0.000 0.956 386 Q HN 0.818 nan 8.270 nan 0.000 0.483 387 F N 1.008 120.966 119.950 0.013 0.000 2.765 387 F HA 0.390 4.915 4.527 -0.004 0.000 0.302 387 F C 0.974 176.787 175.800 0.021 0.000 1.111 387 F CA -0.487 57.518 58.000 0.008 0.000 1.359 387 F CB 0.129 39.137 39.000 0.012 0.000 1.097 387 F HN 0.045 nan 8.300 nan 0.000 0.577 388 A N 0.336 123.237 122.820 0.136 0.000 2.366 388 A HA 0.520 4.838 4.320 -0.004 0.000 0.272 388 A C 1.796 179.441 177.584 0.101 0.000 1.135 388 A CA 0.235 52.344 52.037 0.120 0.000 0.804 388 A CB 0.169 19.221 19.000 0.086 0.000 1.064 388 A HN 0.423 nan 8.150 nan 0.000 0.499 389 G N 2.041 110.915 108.800 0.124 0.000 2.545 389 G HA2 -0.172 3.786 3.960 -0.004 0.000 0.222 389 G HA3 -0.172 3.786 3.960 -0.004 0.000 0.222 389 G C 1.522 176.482 174.900 0.101 0.000 1.126 389 G CA 1.528 46.702 45.100 0.123 0.000 0.754 389 G HN 1.337 nan 8.290 nan 0.000 0.583 390 A N 0.923 123.797 122.820 0.090 0.000 2.024 390 A HA 0.249 4.567 4.320 -0.004 0.000 0.220 390 A C 2.754 180.364 177.584 0.043 0.000 1.164 390 A CA 2.073 54.150 52.037 0.067 0.000 0.643 390 A CB -0.584 18.450 19.000 0.057 0.000 0.806 390 A HN 0.921 nan 8.150 nan 0.000 0.451 391 A N 0.372 123.209 122.820 0.029 0.000 2.070 391 A HA -0.169 4.148 4.320 -0.004 0.000 0.220 391 A C 1.789 179.378 177.584 0.009 0.000 1.159 391 A CA 1.470 53.508 52.037 0.001 0.000 0.656 391 A CB -0.550 18.430 19.000 -0.032 0.000 0.800 391 A HN 0.590 nan 8.150 nan 0.000 0.453 392 N N 0.383 119.101 118.700 0.031 0.000 2.289 392 N HA -0.158 4.580 4.740 -0.004 0.000 0.184 392 N C 1.626 177.157 175.510 0.035 0.000 1.016 392 N CA 1.663 54.735 53.050 0.036 0.000 0.872 392 N CB -0.172 38.350 38.487 0.058 0.000 0.973 392 N HN 0.921 nan 8.380 nan 0.000 0.433 393 E N 0.056 120.280 120.200 0.040 0.000 2.399 393 E HA 0.064 4.412 4.350 -0.004 0.000 0.205 393 E C 0.679 177.289 176.600 0.017 0.000 0.906 393 E CA -0.046 56.374 56.400 0.034 0.000 0.998 393 E CB -0.170 29.560 29.700 0.050 0.000 1.002 393 E HN 0.137 nan 8.360 nan 0.000 0.501 394 L N 2.712 123.943 121.223 0.014 0.000 2.873 394 L HA 0.169 4.507 4.340 -0.004 0.000 0.236 394 L C 1.262 178.130 176.870 -0.004 0.000 1.375 394 L CA -0.119 54.723 54.840 0.003 0.000 1.239 394 L CB -0.069 41.994 42.059 0.007 0.000 1.603 394 L HN 0.135 nan 8.230 nan 0.000 0.430 395 T N -1.009 113.543 114.554 -0.005 0.000 2.977 395 T HA -0.113 4.235 4.350 -0.004 0.000 0.271 395 T C 1.738 176.432 174.700 -0.010 0.000 1.105 395 T CA 1.422 63.517 62.100 -0.009 0.000 1.116 395 T CB 0.115 68.980 68.868 -0.005 0.000 0.878 395 T HN 0.428 nan 8.240 nan 0.000 0.509 396 S N 0.599 116.294 115.700 -0.008 0.000 2.556 396 S HA 0.500 4.968 4.470 -0.004 0.000 0.216 396 S C 0.889 175.489 174.600 0.001 0.000 0.970 396 S CA -0.291 57.907 58.200 -0.004 0.000 0.912 396 S CB 0.242 63.439 63.200 -0.005 0.000 0.790 396 S HN 0.595 nan 8.310 nan 0.000 0.504 397 A N 1.468 124.286 122.820 -0.003 0.000 2.386 397 A HA 0.441 4.759 4.320 -0.004 0.000 0.246 397 A C -0.035 177.539 177.584 -0.017 0.000 1.089 397 A CA -0.289 51.746 52.037 -0.004 0.000 0.790 397 A CB -0.054 18.938 19.000 -0.012 0.000 1.042 397 A HN 0.255 nan 8.150 nan 0.000 0.497 398 L N 2.160 123.368 121.223 -0.025 0.000 2.433 398 L HA 0.141 4.479 4.340 -0.004 0.000 0.284 398 L C -0.060 176.780 176.870 -0.049 0.000 1.120 398 L CA 0.192 55.012 54.840 -0.034 0.000 0.879 398 L CB -0.502 41.534 42.059 -0.039 0.000 1.232 398 L HN 0.365 nan 8.230 nan 0.000 0.454 399 I N 5.114 125.654 120.570 -0.050 0.000 2.371 399 I HA 0.353 4.521 4.170 -0.004 0.000 0.290 399 I C 0.328 176.399 176.117 -0.076 0.000 1.028 399 I CA -0.246 61.011 61.300 -0.070 0.000 1.345 399 I CB 1.242 39.198 38.000 -0.073 0.000 1.407 399 I HN 0.294 nan 8.210 nan 0.000 0.501 400 V N 3.210 123.067 119.914 -0.095 0.000 3.078 400 V HA 0.542 4.660 4.120 -0.004 0.000 0.311 400 V C -0.531 175.495 176.094 -0.114 0.000 1.138 400 V CA -1.061 61.190 62.300 -0.081 0.000 1.007 400 V CB 2.171 33.961 31.823 -0.056 0.000 1.045 400 V HN 0.813 nan 8.190 nan 0.000 0.432 401 N N 3.137 121.802 118.700 -0.058 0.000 2.485 401 N HA 0.453 5.191 4.740 -0.004 0.000 0.243 401 N C -1.695 173.872 175.510 0.094 0.000 0.987 401 N CA -1.908 51.149 53.050 0.012 0.000 0.940 401 N CB 1.957 40.493 38.487 0.082 0.000 1.122 401 N HN 0.616 nan 8.380 nan 0.000 0.509 402 P HA -0.151 nan 4.420 nan 0.000 0.225 402 P C 0.167 177.412 177.300 -0.092 0.000 1.148 402 P CA 1.124 64.196 63.100 -0.046 0.000 0.779 402 P CB -0.063 31.560 31.700 -0.128 0.000 0.780 403 Y N -0.376 120.010 120.300 0.143 0.000 2.578 403 Y HA 0.040 4.588 4.550 -0.003 0.000 0.297 403 Y C 0.998 176.943 175.900 0.076 0.000 1.176 403 Y CA 0.287 58.445 58.100 0.098 0.000 1.315 403 Y CB -0.205 38.314 38.460 0.097 0.000 1.031 403 Y HN -0.066 nan 8.280 nan 0.000 0.524 404 D N 0.552 121.058 120.400 0.177 0.000 2.462 404 D HA 0.076 4.714 4.640 -0.004 0.000 0.249 404 D C 1.209 177.559 176.300 0.084 0.000 1.117 404 D CA -0.401 53.672 54.000 0.122 0.000 0.900 404 D CB 0.490 41.354 40.800 0.107 0.000 1.039 404 D HN 0.239 nan 8.370 nan 0.000 0.516 405 R N 2.354 122.903 120.500 0.081 0.000 2.127 405 R HA -0.148 4.190 4.340 -0.004 0.000 0.238 405 R C 0.109 176.453 176.300 0.072 0.000 1.134 405 R CA 1.031 57.172 56.100 0.069 0.000 0.975 405 R CB -0.123 30.223 30.300 0.077 0.000 0.865 405 R HN 0.188 nan 8.270 nan 0.000 0.447 406 D N 1.054 121.503 120.400 0.081 0.000 2.149 406 D HA -0.130 4.507 4.640 -0.004 0.000 0.201 406 D C 1.786 178.140 176.300 0.089 0.000 0.972 406 D CA 1.064 55.123 54.000 0.098 0.000 0.835 406 D CB -0.208 40.647 40.800 0.092 0.000 0.966 406 D HN 0.494 nan 8.370 nan 0.000 0.476 407 E N 0.564 120.803 120.200 0.066 0.000 2.085 407 E HA -0.144 4.204 4.350 -0.004 0.000 0.194 407 E C 1.968 178.580 176.600 0.021 0.000 0.994 407 E CA 0.808 57.235 56.400 0.045 0.000 0.801 407 E CB 0.237 29.960 29.700 0.038 0.000 0.743 407 E HN 0.007 nan 8.360 nan 0.000 0.453 408 V N 1.038 120.962 119.914 0.017 0.000 2.358 408 V HA -0.218 3.900 4.120 -0.004 0.000 0.246 408 V C 2.441 178.516 176.094 -0.032 0.000 1.047 408 V CA 1.645 63.935 62.300 -0.015 0.000 1.035 408 V CB -0.721 31.092 31.823 -0.017 0.000 0.658 408 V HN 0.422 nan 8.190 nan 0.000 0.452 409 A N 0.258 123.080 122.820 0.002 0.000 1.908 409 A HA -0.163 4.155 4.320 -0.004 0.000 0.218 409 A C 2.434 179.932 177.584 -0.144 0.000 1.181 409 A CA 2.227 54.245 52.037 -0.032 0.000 0.627 409 A CB -0.845 18.214 19.000 0.097 0.000 0.818 409 A HN 0.574 nan 8.150 nan 0.000 0.445 410 A N -0.298 122.509 122.820 -0.022 0.000 1.933 410 A HA 0.155 4.473 4.320 -0.004 0.000 0.218 410 A C 2.469 180.001 177.584 -0.086 0.000 1.175 410 A CA 2.089 54.114 52.037 -0.021 0.000 0.628 410 A CB -0.910 18.153 19.000 0.106 0.000 0.814 410 A HN 1.073 nan 8.150 nan 0.000 0.444 411 A N -0.443 122.336 122.820 -0.068 0.000 1.930 411 A HA 0.055 4.373 4.320 -0.004 0.000 0.217 411 A C 2.132 179.651 177.584 -0.109 0.000 1.175 411 A CA 1.271 53.265 52.037 -0.071 0.000 0.627 411 A CB -0.503 18.461 19.000 -0.059 0.000 0.815 411 A HN 0.462 nan 8.150 nan 0.000 0.443 412 L N -0.585 120.550 121.223 -0.147 0.000 2.046 412 L HA -0.204 4.133 4.340 -0.004 0.000 0.208 412 L C 2.391 179.129 176.870 -0.220 0.000 1.077 412 L CA 1.873 56.607 54.840 -0.176 0.000 0.747 412 L CB -0.492 41.461 42.059 -0.176 0.000 0.896 412 L HN 0.523 nan 8.230 nan 0.000 0.432 413 D N -0.043 120.176 120.400 -0.302 0.000 2.117 413 D HA -0.235 4.403 4.640 -0.004 0.000 0.198 413 D C 2.316 178.557 176.300 -0.098 0.000 0.982 413 D CA 1.071 54.907 54.000 -0.274 0.000 0.828 413 D CB 0.083 40.549 40.800 -0.558 0.000 0.967 413 D HN 0.042 nan 8.370 nan 0.000 0.464 414 R N -0.147 120.305 120.500 -0.079 0.000 2.081 414 R HA -0.065 4.273 4.340 -0.004 0.000 0.235 414 R C 2.144 178.428 176.300 -0.027 0.000 1.131 414 R CA 1.379 57.464 56.100 -0.025 0.000 0.960 414 R CB -0.336 29.954 30.300 -0.017 0.000 0.856 414 R HN 0.206 nan 8.270 nan 0.000 0.436 415 A N 0.912 123.701 122.820 -0.052 0.000 1.933 415 A HA -0.105 4.213 4.320 -0.004 0.000 0.218 415 A C 2.131 179.697 177.584 -0.031 0.000 1.175 415 A CA 1.143 53.157 52.037 -0.038 0.000 0.628 415 A CB -0.437 18.531 19.000 -0.054 0.000 0.814 415 A HN 0.364 nan 8.150 nan 0.000 0.444 416 L N -0.061 121.125 121.223 -0.061 0.000 2.291 416 L HA -0.014 4.324 4.340 -0.004 0.000 0.214 416 L C 1.631 178.509 176.870 0.013 0.000 1.120 416 L CA 1.041 55.850 54.840 -0.051 0.000 0.799 416 L CB -0.531 41.427 42.059 -0.168 0.000 0.925 416 L HN 0.614 nan 8.230 nan 0.000 0.446 420 L N 2.266 123.495 121.223 0.011 0.000 2.013 420 L HA 0.119 4.457 4.340 -0.004 0.000 0.212 420 L C 2.740 179.616 176.870 0.010 0.000 1.073 420 L CA 3.043 57.887 54.840 0.007 0.000 0.753 420 L CB -1.283 40.778 42.059 0.004 0.000 0.890 420 L HN 1.051 nan 8.230 nan 0.000 0.432 421 A N -1.001 121.826 122.820 0.012 0.000 1.883 421 A HA -0.286 4.032 4.320 -0.004 0.000 0.217 421 A C 2.349 179.944 177.584 0.018 0.000 1.186 421 A CA 1.935 53.981 52.037 0.014 0.000 0.624 421 A CB -0.784 18.223 19.000 0.012 0.000 0.822 421 A HN 0.623 nan 8.150 nan 0.000 0.444 422 E N -0.552 119.659 120.200 0.018 0.000 2.106 422 E HA -0.182 4.166 4.350 -0.004 0.000 0.192 422 E C 2.305 178.923 176.600 0.029 0.000 0.984 422 E CA 0.892 57.304 56.400 0.021 0.000 0.806 422 E CB -0.066 29.645 29.700 0.018 0.000 0.750 422 E HN 0.576 nan 8.360 nan 0.000 0.458 423 R N 0.095 120.612 120.500 0.028 0.000 2.092 423 R HA -0.113 4.224 4.340 -0.004 0.000 0.231 423 R C 2.319 178.653 176.300 0.056 0.000 1.119 423 R CA 0.860 56.983 56.100 0.038 0.000 0.970 423 R CB -0.157 30.155 30.300 0.019 0.000 0.864 423 R HN 0.240 nan 8.270 nan 0.000 0.440 424 I N 1.001 121.595 120.570 0.041 0.000 2.127 424 I HA -0.271 3.897 4.170 -0.004 0.000 0.241 424 I C 2.588 178.755 176.117 0.083 0.000 1.075 424 I CA 1.870 63.205 61.300 0.057 0.000 1.334 424 I CB -1.483 36.537 38.000 0.033 0.000 1.040 424 I HN 0.183 nan 8.210 nan 0.000 0.405 425 S N 0.587 116.318 115.700 0.052 0.000 2.387 425 S HA -0.099 4.369 4.470 -0.004 0.000 0.226 425 S C 2.136 176.757 174.600 0.035 0.000 1.026 425 S CA 0.498 58.720 58.200 0.037 0.000 0.972 425 S CB -0.419 62.795 63.200 0.023 0.000 0.814 425 S HN 0.353 nan 8.310 nan 0.000 0.477 426 R N 0.293 120.821 120.500 0.046 0.000 2.081 426 R HA -0.067 4.271 4.340 -0.004 0.000 0.235 426 R C 2.603 178.935 176.300 0.054 0.000 1.131 426 R CA 1.561 57.686 56.100 0.043 0.000 0.960 426 R CB -0.634 29.696 30.300 0.049 0.000 0.856 426 R HN 0.633 nan 8.270 nan 0.000 0.436 427 H N 0.332 119.403 119.070 0.001 0.000 2.353 427 H HA -0.046 4.508 4.556 -0.003 0.000 0.300 427 H C 1.702 177.024 175.328 -0.010 0.000 1.090 427 H CA 1.719 57.764 56.048 -0.006 0.000 1.327 427 H CB 0.168 29.919 29.762 -0.019 0.000 1.383 427 H HN 0.245 nan 8.280 nan 0.000 0.508 428 A N 0.849 123.643 122.820 -0.044 0.000 2.015 428 A HA -0.089 4.229 4.320 -0.004 0.000 0.219 428 A C 1.610 179.124 177.584 -0.116 0.000 1.163 428 A CA 0.581 52.565 52.037 -0.088 0.000 0.646 428 A CB -0.324 18.685 19.000 0.015 0.000 0.806 428 A HN 0.635 nan 8.150 nan 0.000 0.448 432 D N 0.397 120.732 120.400 -0.107 0.000 2.117 432 D HA -0.132 4.505 4.640 -0.004 0.000 0.197 432 D C 1.658 177.930 176.300 -0.047 0.000 0.987 432 D CA 2.100 56.063 54.000 -0.062 0.000 0.829 432 D CB 0.331 41.102 40.800 -0.049 0.000 0.961 432 D HN 0.258 nan 8.370 nan 0.000 0.460 433 V N 2.219 122.106 119.914 -0.045 0.000 2.332 433 V HA -0.239 3.879 4.120 -0.004 0.000 0.248 433 V C 2.683 178.769 176.094 -0.013 0.000 1.055 433 V CA 1.887 64.173 62.300 -0.024 0.000 1.038 433 V CB -0.747 31.067 31.823 -0.015 0.000 0.651 433 V HN 0.437 nan 8.190 nan 0.000 0.450 434 I N -2.220 118.338 120.570 -0.019 0.000 2.876 434 I HA -0.018 4.149 4.170 -0.004 0.000 0.264 434 I C 2.110 178.230 176.117 0.005 0.000 1.204 434 I CA 0.995 62.296 61.300 0.002 0.000 1.485 434 I CB -0.314 37.685 38.000 -0.001 0.000 1.103 434 I HN 0.053 nan 8.210 nan 0.000 0.446 435 V N 2.057 121.964 119.914 -0.012 0.000 2.379 435 V HA -0.141 3.977 4.120 -0.004 0.000 0.245 435 V C 2.616 178.703 176.094 -0.012 0.000 1.044 435 V CA 1.671 63.968 62.300 -0.006 0.000 1.036 435 V CB -0.742 31.073 31.823 -0.014 0.000 0.664 435 V HN 0.403 nan 8.190 nan 0.000 0.453 436 K N 0.258 120.636 120.400 -0.036 0.000 2.148 436 K HA -0.076 4.242 4.320 -0.004 0.000 0.204 436 K C 1.286 177.809 176.600 -0.128 0.000 1.050 436 K CA 0.806 57.041 56.287 -0.087 0.000 0.942 436 K CB -0.311 32.133 32.500 -0.092 0.000 0.724 436 K HN 0.350 nan 8.250 nan 0.000 0.446 437 N N 2.250 120.935 118.700 -0.025 0.000 2.635 437 N HA -0.022 4.716 4.740 -0.004 0.000 0.307 437 N C -0.797 174.800 175.510 0.144 0.000 1.433 437 N CA -0.040 53.059 53.050 0.082 0.000 0.973 437 N CB 0.233 38.801 38.487 0.135 0.000 1.304 437 N HN 0.096 nan 8.380 nan 0.000 0.507 438 D N 1.119 121.593 120.400 0.123 0.000 2.949 438 D HA -0.205 4.433 4.640 -0.004 0.000 0.208 438 D C 1.578 177.998 176.300 0.201 0.000 1.104 438 D CA 0.401 54.488 54.000 0.145 0.000 0.801 438 D CB 1.153 42.048 40.800 0.159 0.000 1.182 438 D HN 0.287 nan 8.370 nan 0.000 0.517 439 I N 3.855 124.506 120.570 0.135 0.000 2.335 439 I HA -0.287 3.880 4.170 -0.004 0.000 0.251 439 I C 1.948 178.223 176.117 0.263 0.000 1.129 439 I CA 1.470 62.862 61.300 0.155 0.000 1.402 439 I CB -0.317 37.711 38.000 0.046 0.000 1.069 439 I HN 0.452 nan 8.210 nan 0.000 0.424 440 N N -0.365 118.457 118.700 0.203 0.000 2.120 440 N HA -0.311 4.426 4.740 -0.004 0.000 0.188 440 N C 2.122 177.773 175.510 0.234 0.000 1.024 440 N CA 1.877 55.043 53.050 0.192 0.000 0.852 440 N CB -0.296 38.276 38.487 0.141 0.000 1.003 440 N HN 0.551 nan 8.380 nan 0.000 0.424 441 H N -1.298 117.873 119.070 0.169 0.000 2.319 441 H HA -0.123 4.430 4.556 -0.004 0.000 0.299 441 H C 1.670 177.148 175.328 0.249 0.000 1.092 441 H CA 2.291 58.445 56.048 0.177 0.000 1.302 441 H CB -0.645 29.213 29.762 0.160 0.000 1.373 441 H HN 0.471 nan 8.280 nan 0.000 0.497 442 W N 1.639 122.995 121.300 0.093 0.000 2.311 442 W HA -0.280 4.378 4.660 -0.003 0.000 0.326 442 W C 2.711 179.240 176.519 0.017 0.000 1.239 442 W CA 2.443 59.825 57.345 0.062 0.000 1.258 442 W CB -0.768 28.724 29.460 0.053 0.000 1.165 442 W HN 0.307 nan 8.180 nan 0.000 0.466 443 Q N 0.799 120.710 119.800 0.185 0.000 2.077 443 Q HA -0.285 4.052 4.340 -0.004 0.000 0.206 443 Q C 2.000 177.942 176.000 -0.096 0.000 0.989 443 Q CA 2.588 58.418 55.803 0.044 0.000 0.853 443 Q CB -0.845 28.033 28.738 0.233 0.000 0.907 443 Q HN 0.557 nan 8.270 nan 0.000 0.418 444 E N -0.629 119.548 120.200 -0.038 0.000 2.058 444 E HA -0.173 4.175 4.350 -0.004 0.000 0.194 444 E C 2.299 178.812 176.600 -0.145 0.000 0.997 444 E CA 1.447 57.806 56.400 -0.069 0.000 0.801 444 E CB -0.090 29.602 29.700 -0.014 0.000 0.746 444 E HN 0.451 nan 8.360 nan 0.000 0.450 445 C N 0.123 119.309 119.300 -0.190 0.000 2.429 445 C HA -0.127 4.331 4.460 -0.004 0.000 0.277 445 C C 2.387 177.288 174.990 -0.149 0.000 1.262 445 C CA 0.335 59.284 59.018 -0.115 0.000 1.733 445 C CB -0.980 26.739 27.740 -0.035 0.000 2.010 445 C HN 0.420 nan 8.230 nan 0.000 0.483 446 F N 1.503 121.043 119.950 -0.683 0.000 2.084 446 F HA -0.098 4.427 4.527 -0.003 0.000 0.296 446 F C 2.233 177.533 175.800 -0.833 0.000 1.111 446 F CA 1.667 58.951 58.000 -1.193 0.000 1.224 446 F CB -0.258 37.610 39.000 -1.887 0.000 0.991 446 F HN 0.038 nan 8.300 nan 0.000 0.471 447 I N -0.080 120.212 120.570 -0.463 0.000 2.163 447 I HA -0.307 3.861 4.170 -0.004 0.000 0.243 447 I C 2.751 178.707 176.117 -0.268 0.000 1.085 447 I CA 1.819 62.920 61.300 -0.332 0.000 1.347 447 I CB -1.941 35.947 38.000 -0.187 0.000 1.044 447 I HN 0.298 nan 8.210 nan 0.000 0.408 448 S N 0.841 116.414 115.700 -0.212 0.000 2.370 448 S HA -0.217 4.251 4.470 -0.004 0.000 0.226 448 S C 1.716 176.214 174.600 -0.169 0.000 1.033 448 S CA 1.830 59.942 58.200 -0.147 0.000 1.011 448 S CB -0.227 62.915 63.200 -0.097 0.000 0.852 448 S HN 0.366 nan 8.310 nan 0.000 0.457 449 D N 0.945 121.211 120.400 -0.223 0.000 2.117 449 D HA -0.054 4.584 4.640 -0.004 0.000 0.197 449 D C 1.901 178.036 176.300 -0.276 0.000 0.987 449 D CA 0.919 54.788 54.000 -0.219 0.000 0.829 449 D CB -0.588 40.099 40.800 -0.189 0.000 0.961 449 D HN 0.358 nan 8.370 nan 0.000 0.460 450 L N 1.227 122.197 121.223 -0.421 0.000 2.017 450 L HA -0.125 4.213 4.340 -0.004 0.000 0.208 450 L C 1.858 178.622 176.870 -0.177 0.000 1.073 450 L CA 1.797 56.434 54.840 -0.338 0.000 0.745 450 L CB -0.369 41.446 42.059 -0.408 0.000 0.894 450 L HN -0.129 nan 8.230 nan 0.000 0.432 451 K N -1.126 119.180 120.400 -0.156 0.000 2.280 451 K HA -0.168 4.149 4.320 -0.004 0.000 0.202 451 K C 2.035 178.591 176.600 -0.074 0.000 1.047 451 K CA 1.037 57.269 56.287 -0.092 0.000 0.942 451 K CB -0.075 32.377 32.500 -0.080 0.000 0.739 451 K HN 0.484 nan 8.250 nan 0.000 0.457 452 Q N 0.489 120.236 119.800 -0.089 0.000 2.432 452 Q HA 0.062 4.400 4.340 -0.004 0.000 0.205 452 Q C 0.533 176.500 176.000 -0.055 0.000 0.945 452 Q CA 0.161 55.923 55.803 -0.067 0.000 0.924 452 Q CB 0.248 28.943 28.738 -0.073 0.000 1.016 452 Q HN 0.357 nan 8.270 nan 0.000 0.503 453 I N -0.086 120.450 120.570 -0.057 0.000 2.499 453 I HA 0.191 4.359 4.170 -0.004 0.000 0.296 453 I C -0.107 176.000 176.117 -0.018 0.000 0.992 453 I CA -0.958 60.322 61.300 -0.033 0.000 1.297 453 I CB 1.222 39.209 38.000 -0.023 0.000 1.410 453 I HN -0.221 nan 8.210 nan 0.000 0.507 454 V N 5.514 125.423 119.914 -0.008 0.000 2.498 454 V HA 0.569 4.687 4.120 -0.004 0.000 0.279 454 V C -2.142 173.959 176.094 0.010 0.000 1.048 454 V CA -1.232 61.067 62.300 -0.002 0.000 0.967 454 V CB 0.171 31.992 31.823 -0.002 0.000 0.988 454 V HN 0.755 nan 8.190 nan 0.000 0.473 455 P HA 0.299 nan 4.420 nan 0.000 0.274 455 P C 0.044 177.355 177.300 0.020 0.000 1.237 455 P CA -0.619 62.493 63.100 0.019 0.000 0.793 455 P CB 0.710 32.418 31.700 0.014 0.000 0.977 456 R N 0.000 120.515 120.500 0.025 0.000 2.786 456 R HA 0.000 4.338 4.340 -0.004 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