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 3ksc_1_F DATA FIRST_RESID 7 DATA SEQUENCE QNEcQLERLD ALEPDNRIES EGGLIETWNP NNKQFRcAGV ALSRATLQRN DATA SEQUENCE ALRRPYYSNA PQEIFIQQGN GYFGMVFPGc PEXXXXXXXX XXXXXXXXXD DATA SEQUENCE RHQKVNRFRE GDIIAVPTGI VFWMYNDQDT PVIAVSLTDI RSSNNQLDQM DATA SEQUENCE PRRFYLAGNH EQEFLQYQHQ XXXXXXXXXE GNNIFSGFKR DFLEDAFNVN DATA SEQUENCE RHIVDRLQGR NEDEEKGAIV KVKGGLSIIX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXT VcTAKLRLNI GPSSSPDIYN PEAGRIKTVT SLDLPVLRWL DATA SEQUENCE KLSAEHGSLH KNAMFVPHYN LNANSIIYAL KGRARLQVVN CNGNTVFDGE DATA SEQUENCE LEAGRALTVP QNYAVAAKSL SDRFSYVAFK TNDRAGIARL AGTSSVINNL DATA SEQUENCE PLDVVAATFN LQRNEARQLK SNNPFKFLVP ARE 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 7 Q HA 0.000 nan 4.340 nan 0.000 0.214 7 Q C 0.000 176.008 176.000 0.014 0.000 1.003 7 Q CA 0.000 55.811 55.803 0.013 0.000 1.022 7 Q CB 0.000 28.747 28.738 0.014 0.000 1.108 8 N N 0.842 119.552 118.700 0.016 0.000 2.536 8 N HA 0.137 4.877 4.740 -0.000 0.000 0.286 8 N C -0.642 174.880 175.510 0.019 0.000 1.577 8 N CA 0.373 53.435 53.050 0.019 0.000 0.883 8 N CB 1.162 39.661 38.487 0.021 0.000 1.390 8 N HN 0.291 nan 8.380 nan 0.000 0.491 9 E N -0.258 119.949 120.200 0.013 0.000 2.273 9 E HA -0.079 4.271 4.350 -0.000 0.000 0.198 9 E C 0.728 177.328 176.600 -0.000 0.000 1.002 9 E CA 0.992 57.397 56.400 0.008 0.000 0.828 9 E CB -0.115 29.587 29.700 0.003 0.000 0.747 9 E HN 0.261 nan 8.360 nan 0.000 0.491 10 c N 0.681 119.283 118.600 0.003 0.000 2.688 10 c HA 0.167 4.737 4.570 -0.000 0.000 0.297 10 c C 0.808 174.932 174.090 0.057 0.000 1.308 10 c CA -0.543 55.782 56.329 -0.006 0.000 1.726 10 c CB -1.181 41.315 42.510 -0.023 0.000 1.982 10 c HN 0.368 nan 8.230 nan 0.000 0.604 11 Q N 1.529 121.364 119.800 0.057 0.000 3.135 11 Q HA 0.326 4.666 4.340 -0.000 0.000 0.344 11 Q C -0.741 175.308 176.000 0.082 0.000 1.321 11 Q CA -0.044 55.807 55.803 0.080 0.000 1.050 11 Q CB -0.087 28.681 28.738 0.050 0.000 1.498 11 Q HN 0.655 nan 8.270 nan 0.000 0.503 12 L N 1.527 122.820 121.223 0.117 0.000 2.281 12 L HA 0.265 4.605 4.340 -0.000 0.000 0.285 12 L C 0.807 177.756 176.870 0.132 0.000 1.074 12 L CA -0.292 54.610 54.840 0.102 0.000 0.817 12 L CB 0.923 43.025 42.059 0.072 0.000 1.168 12 L HN 0.311 nan 8.230 nan 0.000 0.434 13 E N 2.949 123.200 120.200 0.085 0.000 2.538 13 E HA 0.178 4.528 4.350 -0.000 0.000 0.207 13 E C -0.208 176.433 176.600 0.070 0.000 1.002 13 E CA -0.001 56.439 56.400 0.068 0.000 0.952 13 E CB 0.868 30.592 29.700 0.039 0.000 1.031 13 E HN 0.352 nan 8.360 nan 0.000 0.476 14 R N 0.913 121.463 120.500 0.084 0.000 2.658 14 R HA 0.331 4.671 4.340 -0.000 0.000 0.287 14 R C -1.446 174.918 176.300 0.108 0.000 1.209 14 R CA -0.161 55.994 56.100 0.091 0.000 1.046 14 R CB 0.291 30.631 30.300 0.066 0.000 1.247 14 R HN 0.015 nan 8.270 nan 0.000 0.405 15 L N 2.388 123.710 121.223 0.165 0.000 2.332 15 L HA 0.623 4.963 4.340 -0.000 0.000 0.269 15 L C 0.120 177.136 176.870 0.243 0.000 1.016 15 L CA -0.860 54.063 54.840 0.139 0.000 0.809 15 L CB 1.676 43.778 42.059 0.071 0.000 1.280 15 L HN 0.438 nan 8.230 nan 0.000 0.447 16 D N 0.263 120.729 120.400 0.109 0.000 2.601 16 D HA 0.426 5.066 4.640 -0.000 0.000 0.230 16 D C -0.880 175.429 176.300 0.015 0.000 1.106 16 D CA -0.429 53.675 54.000 0.173 0.000 0.873 16 D CB 2.549 43.434 40.800 0.142 0.000 1.515 16 D HN 0.537 nan 8.370 nan 0.000 0.468 17 A N 2.176 125.067 122.820 0.118 0.000 2.396 17 A HA 0.451 4.771 4.320 -0.000 0.000 0.279 17 A C -0.199 177.484 177.584 0.165 0.000 1.165 17 A CA -0.089 51.985 52.037 0.063 0.000 0.824 17 A CB -0.168 18.922 19.000 0.150 0.000 1.100 17 A HN 0.430 nan 8.150 nan 0.000 0.516 18 L N 2.850 124.209 121.223 0.227 0.000 2.309 18 L HA 0.414 4.754 4.340 -0.000 0.000 0.282 18 L C 0.428 177.622 176.870 0.539 0.000 1.036 18 L CA -0.298 54.763 54.840 0.368 0.000 0.806 18 L CB 1.570 43.917 42.059 0.480 0.000 1.220 18 L HN 0.732 nan 8.230 nan 0.000 0.429 19 E N 2.898 123.281 120.200 0.306 0.000 2.250 19 E HA 0.358 4.708 4.350 -0.000 0.000 0.265 19 E C -2.357 174.033 176.600 -0.350 0.000 1.033 19 E CA -1.975 54.490 56.400 0.108 0.000 0.888 19 E CB 0.826 30.546 29.700 0.033 0.000 1.151 19 E HN 0.311 nan 8.360 nan 0.000 0.412 20 P HA -0.061 nan 4.420 nan 0.000 0.265 20 P C -0.237 176.816 177.300 -0.412 0.000 1.193 20 P CA 0.328 62.758 63.100 -1.118 0.000 0.765 20 P CB 0.418 31.492 31.700 -1.044 0.000 0.823 21 D N 0.922 121.191 120.400 -0.218 0.000 2.369 21 D HA 0.043 4.683 4.640 -0.000 0.000 0.211 21 D C -0.228 176.049 176.300 -0.038 0.000 1.077 21 D CA 0.222 54.187 54.000 -0.058 0.000 0.842 21 D CB -0.243 40.587 40.800 0.051 0.000 0.947 21 D HN 0.271 nan 8.370 nan 0.000 0.509 22 N N -0.465 118.193 118.700 -0.070 0.000 2.324 22 N HA 0.398 5.138 4.740 -0.000 0.000 0.285 22 N C -1.606 173.836 175.510 -0.113 0.000 1.076 22 N CA -0.645 52.360 53.050 -0.074 0.000 0.864 22 N CB 1.892 40.344 38.487 -0.058 0.000 1.632 22 N HN -0.165 nan 8.380 nan 0.000 0.478 23 R N 2.541 122.976 120.500 -0.108 0.000 2.480 23 R HA 0.554 4.894 4.340 -0.000 0.000 0.306 23 R C -0.878 175.358 176.300 -0.107 0.000 0.958 23 R CA -0.811 55.225 56.100 -0.107 0.000 0.861 23 R CB 1.546 31.792 30.300 -0.089 0.000 1.171 23 R HN 0.417 nan 8.270 nan 0.000 0.445 24 I N 3.180 123.681 120.570 -0.117 0.000 2.354 24 I HA 0.212 4.382 4.170 -0.000 0.000 0.286 24 I C 0.209 176.260 176.117 -0.109 0.000 1.007 24 I CA -0.761 60.465 61.300 -0.124 0.000 1.167 24 I CB 1.274 39.177 38.000 -0.162 0.000 1.320 24 I HN 0.490 nan 8.210 nan 0.000 0.458 25 E N 4.652 124.798 120.200 -0.090 0.000 2.360 25 E HA 0.347 4.697 4.350 -0.000 0.000 0.269 25 E C 0.120 176.667 176.600 -0.089 0.000 1.022 25 E CA -0.053 56.303 56.400 -0.074 0.000 0.887 25 E CB 1.549 31.215 29.700 -0.055 0.000 0.990 25 E HN 0.660 nan 8.360 nan 0.000 0.426 26 S N 0.011 115.663 115.700 -0.081 0.000 2.618 26 S HA 0.159 4.629 4.470 -0.000 0.000 0.277 26 S C 0.958 175.531 174.600 -0.046 0.000 1.138 26 S CA -0.623 57.526 58.200 -0.086 0.000 0.844 26 S CB 2.002 65.119 63.200 -0.138 0.000 1.127 26 S HN 0.613 nan 8.310 nan 0.000 0.474 27 E N 1.423 121.603 120.200 -0.034 0.000 2.108 27 E HA -0.173 4.177 4.350 -0.000 0.000 0.203 27 E C 1.305 177.906 176.600 0.002 0.000 1.022 27 E CA 1.910 58.304 56.400 -0.011 0.000 0.823 27 E CB -0.965 28.734 29.700 -0.003 0.000 0.744 27 E HN 0.857 nan 8.360 nan 0.000 0.456 28 G N -0.524 108.282 108.800 0.011 0.000 3.337 28 G HA2 0.498 4.458 3.960 -0.000 0.000 0.246 28 G HA3 0.498 4.458 3.960 -0.000 0.000 0.246 28 G C 0.145 175.062 174.900 0.030 0.000 1.131 28 G CA 0.136 45.254 45.100 0.031 0.000 0.773 28 G HN 0.608 nan 8.290 nan 0.000 0.544 29 G N -0.761 108.044 108.800 0.010 0.000 2.335 29 G HA2 0.462 4.422 3.960 -0.000 0.000 0.291 29 G HA3 0.462 4.422 3.960 -0.000 0.000 0.291 29 G C -2.315 172.577 174.900 -0.014 0.000 1.261 29 G CA -0.502 44.604 45.100 0.010 0.000 0.871 29 G HN 0.728 nan 8.290 nan 0.000 0.491 30 L N -0.258 120.959 121.223 -0.011 0.000 2.455 30 L HA 0.857 5.197 4.340 -0.000 0.000 0.264 30 L C -1.297 175.551 176.870 -0.037 0.000 0.968 30 L CA -0.697 54.124 54.840 -0.032 0.000 0.827 30 L CB 1.930 43.978 42.059 -0.019 0.000 1.317 30 L HN 0.563 nan 8.230 nan 0.000 0.407 31 I N 3.658 124.184 120.570 -0.074 0.000 2.418 31 I HA 0.410 4.580 4.170 -0.000 0.000 0.287 31 I C -0.694 175.363 176.117 -0.100 0.000 1.008 31 I CA -0.468 60.781 61.300 -0.085 0.000 1.104 31 I CB 1.835 39.753 38.000 -0.136 0.000 1.264 31 I HN 0.626 nan 8.210 nan 0.000 0.438 32 E N 4.401 124.553 120.200 -0.080 0.000 2.171 32 E HA 0.424 4.774 4.350 -0.000 0.000 0.271 32 E C -0.709 175.829 176.600 -0.104 0.000 0.916 32 E CA -0.687 55.635 56.400 -0.131 0.000 0.774 32 E CB 2.053 31.643 29.700 -0.183 0.000 1.128 32 E HN 0.568 nan 8.360 nan 0.000 0.403 33 T N -0.496 113.995 114.554 -0.104 0.000 2.807 33 T HA 0.339 4.689 4.350 -0.000 0.000 0.279 33 T C -0.230 174.493 174.700 0.039 0.000 0.993 33 T CA -0.904 61.230 62.100 0.057 0.000 0.970 33 T CB 0.691 69.623 68.868 0.108 0.000 0.950 33 T HN 0.360 nan 8.240 nan 0.000 0.441 34 W N 2.122 123.392 121.300 -0.050 0.000 2.126 34 W HA 0.231 4.891 4.660 -0.000 0.000 0.346 34 W C 0.835 177.172 176.519 -0.303 0.000 1.279 34 W CA -0.501 56.757 57.345 -0.144 0.000 1.259 34 W CB 0.640 29.895 29.460 -0.342 0.000 1.133 34 W HN 0.639 nan 8.180 nan 0.000 0.592 35 N N 2.816 121.489 118.700 -0.045 0.000 2.401 35 N HA 0.109 4.849 4.740 -0.000 0.000 0.255 35 N C -1.768 173.533 175.510 -0.349 0.000 1.110 35 N CA -1.693 51.159 53.050 -0.330 0.000 0.949 35 N CB 1.257 39.755 38.487 0.018 0.000 1.110 35 N HN -0.035 nan 8.380 nan 0.000 0.490 36 P HA 0.012 nan 4.420 nan 0.000 0.226 36 P C 0.145 177.370 177.300 -0.125 0.000 1.153 36 P CA 1.097 63.987 63.100 -0.351 0.000 0.777 36 P CB 0.254 31.701 31.700 -0.423 0.000 0.794 37 N N -1.218 117.419 118.700 -0.106 0.000 2.446 37 N HA -0.056 4.684 4.740 -0.000 0.000 0.179 37 N C 0.823 176.370 175.510 0.062 0.000 1.054 37 N CA -0.167 52.889 53.050 0.011 0.000 0.905 37 N CB -0.362 38.157 38.487 0.053 0.000 0.973 37 N HN 0.084 nan 8.380 nan 0.000 0.448 38 N N 2.205 120.967 118.700 0.104 0.000 2.407 38 N HA -0.074 4.666 4.740 -0.000 0.000 0.250 38 N C 0.744 176.324 175.510 0.116 0.000 1.236 38 N CA 0.509 53.647 53.050 0.146 0.000 0.879 38 N CB 0.766 39.409 38.487 0.260 0.000 1.088 38 N HN 0.068 nan 8.380 nan 0.000 0.450 39 K N 2.578 123.017 120.400 0.066 0.000 2.103 39 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 39 K C 1.571 178.164 176.600 -0.012 0.000 1.048 39 K CA 1.429 57.734 56.287 0.030 0.000 0.930 39 K CB 0.137 32.650 32.500 0.022 0.000 0.716 39 K HN 0.636 nan 8.250 nan 0.000 0.444 40 Q N -0.829 118.937 119.800 -0.057 0.000 2.096 40 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 40 Q C 1.854 177.691 176.000 -0.271 0.000 0.982 40 Q CA 1.698 57.376 55.803 -0.208 0.000 0.850 40 Q CB -0.088 28.456 28.738 -0.322 0.000 0.901 40 Q HN 0.253 nan 8.270 nan 0.000 0.422 41 F N -0.107 119.810 119.950 -0.056 0.000 2.335 41 F HA 0.027 4.554 4.527 -0.000 0.000 0.296 41 F C 2.279 178.029 175.800 -0.083 0.000 1.091 41 F CA 0.605 58.556 58.000 -0.082 0.000 1.399 41 F CB -0.024 38.925 39.000 -0.085 0.000 1.067 41 F HN -0.091 nan 8.300 nan 0.000 0.520 42 R N -0.645 119.917 120.500 0.103 0.000 2.073 42 R HA -0.219 4.121 4.340 -0.000 0.000 0.234 42 R C 2.423 178.723 176.300 0.000 0.000 1.134 42 R CA 1.690 57.812 56.100 0.037 0.000 0.952 42 R CB -1.156 29.162 30.300 0.031 0.000 0.850 42 R HN 0.420 nan 8.270 nan 0.000 0.433 43 c N 0.381 118.965 118.600 -0.027 0.000 2.413 43 c HA -0.093 4.477 4.570 -0.000 0.000 0.276 43 c C 2.856 176.904 174.090 -0.070 0.000 1.236 43 c CA 1.155 57.448 56.329 -0.059 0.000 1.735 43 c CB -0.968 41.482 42.510 -0.101 0.000 2.031 43 c HN 0.579 nan 8.230 nan 0.000 0.474 44 A N -0.728 122.045 122.820 -0.078 0.000 1.969 44 A HA 0.295 4.615 4.320 -0.000 0.000 0.218 44 A C 2.035 179.602 177.584 -0.028 0.000 1.169 44 A CA 1.932 53.928 52.037 -0.068 0.000 0.635 44 A CB -1.211 17.744 19.000 -0.076 0.000 0.810 44 A HN 1.853 nan 8.150 nan 0.000 0.445 45 G N -1.530 107.265 108.800 -0.009 0.000 2.171 45 G HA2 0.034 3.994 3.960 -0.000 0.000 0.238 45 G HA3 0.034 3.994 3.960 -0.000 0.000 0.238 45 G C 0.193 175.079 174.900 -0.023 0.000 1.039 45 G CA 0.746 45.838 45.100 -0.015 0.000 0.759 45 G HN 1.966 nan 8.290 nan 0.000 0.501 46 V N -4.101 115.813 119.914 -0.001 0.000 3.181 46 V HA 1.038 5.158 4.120 -0.000 0.000 0.308 46 V C -0.078 175.948 176.094 -0.114 0.000 1.214 46 V CA -0.518 61.755 62.300 -0.047 0.000 1.053 46 V CB 1.937 33.750 31.823 -0.016 0.000 1.069 46 V HN 1.989 nan 8.190 nan 0.000 0.441 47 A N 2.003 124.666 122.820 -0.263 0.000 2.386 47 A HA 0.890 5.210 4.320 -0.000 0.000 0.311 47 A C -1.206 176.152 177.584 -0.376 0.000 1.068 47 A CA -0.724 51.047 52.037 -0.443 0.000 0.743 47 A CB 1.755 20.372 19.000 -0.638 0.000 1.258 47 A HN 1.145 nan 8.150 nan 0.000 0.429 48 L N 1.910 122.851 121.223 -0.471 0.000 2.346 48 L HA 0.810 5.150 4.340 -0.000 0.000 0.274 48 L C -0.074 176.875 176.870 0.131 0.000 1.007 48 L CA -0.196 54.424 54.840 -0.367 0.000 0.818 48 L CB 2.112 43.688 42.059 -0.804 0.000 1.284 48 L HN 1.087 nan 8.230 nan 0.000 0.424 49 S N 3.825 119.625 115.700 0.166 0.000 2.565 49 S HA 0.661 5.131 4.470 -0.000 0.000 0.269 49 S C -1.184 173.586 174.600 0.284 0.000 1.153 49 S CA -0.968 57.454 58.200 0.369 0.000 0.835 49 S CB 2.557 65.872 63.200 0.191 0.000 1.122 49 S HN 0.758 nan 8.310 nan 0.000 0.462 50 R N 0.600 121.263 120.500 0.271 0.000 2.533 50 R HA 0.721 5.061 4.340 -0.000 0.000 0.288 50 R C -1.537 174.819 176.300 0.094 0.000 1.039 50 R CA -0.561 55.650 56.100 0.185 0.000 0.909 50 R CB 1.755 32.225 30.300 0.283 0.000 1.195 50 R HN 1.092 nan 8.270 nan 0.000 0.438 51 A N 2.903 125.771 122.820 0.080 0.000 2.318 51 A HA 0.549 4.869 4.320 -0.000 0.000 0.317 51 A C -0.850 176.779 177.584 0.075 0.000 1.159 51 A CA -0.570 51.505 52.037 0.063 0.000 0.799 51 A CB 1.742 20.789 19.000 0.078 0.000 1.194 51 A HN 0.653 nan 8.150 nan 0.000 0.479 52 T N 3.767 118.358 114.554 0.062 0.000 2.794 52 T HA 0.549 4.899 4.350 -0.000 0.000 0.280 52 T C -0.339 174.401 174.700 0.067 0.000 0.987 52 T CA -0.250 61.891 62.100 0.067 0.000 0.993 52 T CB 0.557 69.459 68.868 0.057 0.000 0.939 52 T HN 0.449 nan 8.240 nan 0.000 0.449 53 L N 3.661 124.933 121.223 0.083 0.000 2.298 53 L HA 0.418 4.758 4.340 -0.000 0.000 0.284 53 L C 0.453 177.357 176.870 0.056 0.000 1.013 53 L CA -1.129 53.761 54.840 0.084 0.000 0.824 53 L CB 1.271 43.404 42.059 0.123 0.000 1.221 53 L HN 0.464 nan 8.230 nan 0.000 0.418 54 Q N 2.090 121.916 119.800 0.043 0.000 2.631 54 Q HA 0.200 4.539 4.340 -0.000 0.000 0.210 54 Q C 0.175 176.181 176.000 0.010 0.000 1.094 54 Q CA -0.249 55.570 55.803 0.027 0.000 1.055 54 Q CB 0.768 29.522 28.738 0.026 0.000 1.261 54 Q HN 0.442 nan 8.270 nan 0.000 0.615 55 R N 0.729 121.229 120.500 -0.000 0.000 2.623 55 R HA -0.089 4.251 4.340 -0.000 0.000 0.271 55 R C -0.324 175.971 176.300 -0.009 0.000 1.043 55 R CA 0.659 56.745 56.100 -0.024 0.000 1.083 55 R CB -0.134 30.159 30.300 -0.011 0.000 0.974 55 R HN 0.700 nan 8.270 nan 0.000 0.436 56 N N 0.373 119.037 118.700 -0.061 0.000 2.721 56 N HA -0.267 4.473 4.740 -0.000 0.000 0.249 56 N C -1.388 174.237 175.510 0.191 0.000 1.072 56 N CA 0.568 53.654 53.050 0.060 0.000 0.710 56 N CB -0.556 38.015 38.487 0.140 0.000 0.993 56 N HN 0.646 nan 8.380 nan 0.000 0.547 57 A N 0.411 123.287 122.820 0.094 0.000 2.305 57 A HA 0.669 4.989 4.320 -0.000 0.000 0.322 57 A C -0.154 177.632 177.584 0.338 0.000 1.187 57 A CA -0.493 51.653 52.037 0.181 0.000 0.825 57 A CB 0.996 20.059 19.000 0.106 0.000 1.164 57 A HN 0.255 nan 8.150 nan 0.000 0.498 58 L N 2.682 124.103 121.223 0.330 0.000 2.305 58 L HA 0.533 4.873 4.340 -0.000 0.000 0.284 58 L C -0.131 176.902 176.870 0.272 0.000 1.013 58 L CA -0.788 54.267 54.840 0.359 0.000 0.819 58 L CB 1.357 43.535 42.059 0.199 0.000 1.227 58 L HN 0.904 nan 8.230 nan 0.000 0.417 59 R N 5.184 125.879 120.500 0.325 0.000 2.308 59 R HA 0.228 4.568 4.340 -0.000 0.000 0.325 59 R C -0.248 176.275 176.300 0.372 0.000 1.161 59 R CA -0.178 56.114 56.100 0.320 0.000 1.022 59 R CB 0.049 30.550 30.300 0.334 0.000 1.091 59 R HN 0.535 nan 8.270 nan 0.000 0.497 60 R N 5.105 125.813 120.500 0.348 0.000 2.623 60 R HA 0.077 4.417 4.340 -0.000 0.000 0.271 60 R C -1.985 174.597 176.300 0.471 0.000 1.043 60 R CA -1.349 54.959 56.100 0.347 0.000 1.083 60 R CB 0.132 30.619 30.300 0.312 0.000 0.974 60 R HN 0.494 nan 8.270 nan 0.000 0.436 61 P HA -0.111 nan 4.420 nan 0.000 0.261 61 P C -1.351 176.172 177.300 0.371 0.000 1.173 61 P CA 0.817 64.131 63.100 0.356 0.000 0.760 61 P CB 0.179 32.044 31.700 0.276 0.000 0.783 62 Y N 2.299 122.695 120.300 0.159 0.000 2.625 62 Y HA 0.757 5.307 4.550 -0.000 0.000 0.338 62 Y C -1.297 174.678 175.900 0.125 0.000 1.123 62 Y CA -1.662 56.395 58.100 -0.071 0.000 1.046 62 Y CB 1.065 39.144 38.460 -0.635 0.000 1.299 62 Y HN 0.487 nan 8.280 nan 0.000 0.464 63 Y N -0.847 119.509 120.300 0.093 0.000 2.609 63 Y HA 0.860 5.410 4.550 -0.000 0.000 0.342 63 Y C -1.035 175.015 175.900 0.251 0.000 1.058 63 Y CA -1.337 56.775 58.100 0.021 0.000 1.055 63 Y CB 1.906 40.328 38.460 -0.063 0.000 1.292 63 Y HN 0.801 nan 8.280 nan 0.000 0.476 64 S N 0.413 116.304 115.700 0.318 0.000 2.549 64 S HA 0.254 4.724 4.470 -0.000 0.000 0.280 64 S C -0.020 174.719 174.600 0.233 0.000 1.109 64 S CA -0.771 57.613 58.200 0.307 0.000 0.905 64 S CB 0.808 64.158 63.200 0.249 0.000 1.081 64 S HN 0.897 nan 8.310 nan 0.000 0.477 65 N N 2.117 120.970 118.700 0.255 0.000 2.521 65 N HA 0.141 4.881 4.740 -0.000 0.000 0.188 65 N C 0.086 175.650 175.510 0.090 0.000 1.146 65 N CA 0.153 53.297 53.050 0.157 0.000 0.893 65 N CB -0.049 38.565 38.487 0.211 0.000 0.975 65 N HN 0.512 nan 8.380 nan 0.000 0.451 66 A N 0.618 123.483 122.820 0.075 0.000 2.515 66 A HA 0.672 4.992 4.320 -0.000 0.000 0.296 66 A C -2.868 174.728 177.584 0.020 0.000 1.094 66 A CA -1.617 50.439 52.037 0.032 0.000 0.718 66 A CB 1.658 20.658 19.000 0.000 0.000 1.307 66 A HN 0.014 nan 8.150 nan 0.000 0.408 67 P HA 0.328 nan 4.420 nan 0.000 0.274 67 P C -1.168 176.111 177.300 -0.035 0.000 1.231 67 P CA 0.121 63.218 63.100 -0.005 0.000 0.790 67 P CB 0.660 32.371 31.700 0.018 0.000 0.951 68 Q N 0.229 119.989 119.800 -0.067 0.000 2.356 68 Q HA 0.444 4.784 4.340 -0.000 0.000 0.270 68 Q C -0.731 175.200 176.000 -0.115 0.000 1.058 68 Q CA -0.580 55.160 55.803 -0.105 0.000 0.802 68 Q CB 2.650 31.307 28.738 -0.135 0.000 1.303 68 Q HN 0.411 nan 8.270 nan 0.000 0.444 69 E N 2.808 122.949 120.200 -0.097 0.000 2.165 69 E HA 0.445 4.795 4.350 -0.000 0.000 0.266 69 E C -1.239 175.357 176.600 -0.007 0.000 0.889 69 E CA -0.406 55.985 56.400 -0.015 0.000 0.756 69 E CB 1.043 30.815 29.700 0.120 0.000 1.131 69 E HN 0.496 nan 8.360 nan 0.000 0.411 70 I N 4.446 124.998 120.570 -0.031 0.000 2.433 70 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 70 I C -0.777 175.402 176.117 0.102 0.000 1.001 70 I CA -0.969 60.315 61.300 -0.026 0.000 1.119 70 I CB 1.187 39.053 38.000 -0.224 0.000 1.289 70 I HN 0.480 nan 8.210 nan 0.000 0.438 71 F N 7.266 127.256 119.950 0.066 0.000 2.444 71 F HA 0.512 5.039 4.527 -0.000 0.000 0.342 71 F C -0.230 175.563 175.800 -0.011 0.000 1.121 71 F CA -0.897 57.129 58.000 0.042 0.000 0.997 71 F CB 1.056 40.124 39.000 0.113 0.000 1.130 71 F HN 0.179 nan 8.300 nan 0.000 0.454 72 I N 7.037 127.100 120.570 -0.844 0.000 2.260 72 I HA 0.043 4.213 4.170 -0.000 0.000 0.297 72 I C 1.261 176.885 176.117 -0.822 0.000 1.143 72 I CA 0.399 61.322 61.300 -0.629 0.000 1.271 72 I CB 0.315 38.087 38.000 -0.381 0.000 1.461 72 I HN 0.848 nan 8.210 nan 0.000 0.530 73 Q N 5.190 124.778 119.800 -0.353 0.000 2.084 73 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 73 Q C 0.585 176.590 176.000 0.008 0.000 0.978 73 Q CA 1.429 57.246 55.803 0.023 0.000 0.844 73 Q CB 0.548 29.469 28.738 0.305 0.000 0.898 73 Q HN 0.756 nan 8.270 nan 0.000 0.426 74 Q N -1.697 118.107 119.800 0.007 0.000 2.386 74 Q HA 0.491 4.831 4.340 -0.000 0.000 0.274 74 Q C -1.191 174.849 176.000 0.067 0.000 1.011 74 Q CA 0.004 55.830 55.803 0.039 0.000 0.867 74 Q CB 1.985 30.766 28.738 0.072 0.000 1.409 74 Q HN 0.338 nan 8.270 nan 0.000 0.395 75 G N 1.956 110.790 108.800 0.057 0.000 2.462 75 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.685 75 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.685 75 G C -1.697 173.222 174.900 0.031 0.000 1.295 75 G CA -0.514 44.624 45.100 0.063 0.000 0.941 75 G HN 0.763 nan 8.290 nan 0.000 0.554 76 N N -0.868 117.753 118.700 -0.132 0.000 2.329 76 N HA 0.841 5.581 4.740 -0.000 0.000 0.282 76 N C 0.318 175.327 175.510 -0.835 0.000 1.198 76 N CA 0.219 52.992 53.050 -0.462 0.000 0.790 76 N CB 2.212 40.502 38.487 -0.327 0.000 1.579 76 N HN 1.574 nan 8.380 nan 0.000 0.475 77 G N -0.307 107.553 108.800 -1.568 0.000 2.364 77 G HA2 0.359 4.319 3.960 -0.000 0.000 0.286 77 G HA3 0.359 4.319 3.960 -0.000 0.000 0.286 77 G C -2.222 171.983 174.900 -1.158 0.000 1.241 77 G CA -0.484 43.867 45.100 -1.249 0.000 0.887 77 G HN 0.342 nan 8.290 nan 0.000 0.484 78 Y N -0.496 119.780 120.300 -0.041 0.000 2.536 78 Y HA 0.770 5.320 4.550 -0.000 0.000 0.347 78 Y C -0.188 175.908 175.900 0.327 0.000 1.000 78 Y CA -0.837 57.373 58.100 0.183 0.000 1.051 78 Y CB 2.364 40.975 38.460 0.252 0.000 1.259 78 Y HN 0.733 nan 8.280 nan 0.000 0.468 79 F N -0.921 119.037 119.950 0.013 0.000 2.631 79 F HA 1.002 5.529 4.527 -0.000 0.000 0.308 79 F C -0.686 174.515 175.800 -0.999 0.000 1.097 79 F CA -1.325 56.307 58.000 -0.613 0.000 0.952 79 F CB 1.663 40.546 39.000 -0.195 0.000 1.307 79 F HN 0.616 nan 8.300 nan 0.000 0.450 80 G N 2.184 109.923 108.800 -1.768 0.000 2.659 80 G HA2 0.673 4.633 3.960 -0.000 0.000 0.296 80 G HA3 0.673 4.633 3.960 -0.000 0.000 0.296 80 G C -1.994 172.636 174.900 -0.451 0.000 1.369 80 G CA -1.180 43.313 45.100 -1.011 0.000 0.937 80 G HN 0.753 nan 8.290 nan 0.000 0.485 81 M N 0.573 120.189 119.600 0.026 0.000 2.591 81 M HA 0.473 4.953 4.480 -0.000 0.000 0.306 81 M C -0.900 175.470 176.300 0.117 0.000 1.190 81 M CA -1.010 54.348 55.300 0.096 0.000 0.889 81 M CB 2.883 35.561 32.600 0.130 0.000 1.728 81 M HN 0.187 nan 8.290 nan 0.000 0.458 82 V N 2.352 122.251 119.914 -0.026 0.000 2.334 82 V HA 0.417 4.537 4.120 -0.000 0.000 0.281 82 V C -1.159 174.818 176.094 -0.195 0.000 1.016 82 V CA -0.392 61.915 62.300 0.011 0.000 0.832 82 V CB 0.627 32.484 31.823 0.057 0.000 0.999 82 V HN 0.572 nan 8.190 nan 0.000 0.439 83 F N 5.820 125.779 119.950 0.015 0.000 2.361 83 F HA 0.468 4.995 4.527 -0.000 0.000 0.364 83 F C -1.958 173.822 175.800 -0.034 0.000 1.117 83 F CA -2.590 55.394 58.000 -0.027 0.000 1.071 83 F CB 1.417 40.394 39.000 -0.039 0.000 1.188 83 F HN 0.328 nan 8.300 nan 0.000 0.464 84 P HA 0.036 nan 4.420 nan 0.000 0.257 84 P C 0.804 178.129 177.300 0.042 0.000 1.162 84 P CA 1.224 64.339 63.100 0.025 0.000 0.762 84 P CB 0.358 32.044 31.700 -0.024 0.000 0.753 85 G N 1.757 110.576 108.800 0.030 0.000 2.176 85 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.253 85 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.253 85 G C 0.144 175.052 174.900 0.013 0.000 0.979 85 G CA -0.186 44.923 45.100 0.014 0.000 0.641 85 G HN 0.645 nan 8.290 nan 0.000 0.530 86 c N 2.396 121.016 118.600 0.034 0.000 2.307 86 c HA 0.608 5.178 4.570 -0.000 0.000 0.340 86 c C -0.784 173.311 174.090 0.009 0.000 1.275 86 c CA -1.346 54.988 56.329 0.008 0.000 1.811 86 c CB 0.848 43.354 42.510 -0.007 0.000 2.372 86 c HN 0.428 nan 8.230 nan 0.000 0.531 87 P HA 0.066 nan 4.420 nan 0.000 0.273 87 P C -0.197 177.088 177.300 -0.025 0.000 1.237 87 P CA 0.360 63.448 63.100 -0.019 0.000 0.813 87 P CB 0.494 32.177 31.700 -0.029 0.000 0.930 107 R N 0.838 121.397 120.500 0.099 0.000 2.407 107 R HA 0.702 5.042 4.340 -0.000 0.000 0.303 107 R C -0.476 175.916 176.300 0.154 0.000 0.981 107 R CA -0.838 55.305 56.100 0.072 0.000 0.905 107 R CB 1.325 31.641 30.300 0.028 0.000 1.099 107 R HN 0.665 nan 8.270 nan 0.000 0.459 108 H N 0.243 119.328 119.070 0.025 0.000 3.003 108 H HA 0.205 4.761 4.556 -0.000 0.000 0.327 108 H C -1.334 174.033 175.328 0.066 0.000 1.353 108 H CA -1.029 55.049 56.048 0.050 0.000 1.142 108 H CB 0.984 30.776 29.762 0.051 0.000 1.864 108 H HN 0.465 nan 8.280 nan 0.000 0.529 109 Q N 0.790 120.699 119.800 0.181 0.000 2.317 109 Q HA 0.187 4.527 4.340 -0.000 0.000 0.229 109 Q C -0.308 175.805 176.000 0.190 0.000 0.984 109 Q CA -0.763 55.117 55.803 0.128 0.000 0.911 109 Q CB 1.494 30.346 28.738 0.191 0.000 1.217 109 Q HN 0.402 nan 8.270 nan 0.000 0.501 110 K N 0.931 121.388 120.400 0.095 0.000 2.473 110 K HA -0.024 4.296 4.320 -0.000 0.000 0.277 110 K C -0.705 175.950 176.600 0.091 0.000 1.052 110 K CA 0.033 56.366 56.287 0.076 0.000 1.114 110 K CB 0.134 32.642 32.500 0.014 0.000 0.869 110 K HN 0.338 nan 8.250 nan 0.000 0.481 111 V N 4.876 124.871 119.914 0.134 0.000 2.407 111 V HA 0.335 4.455 4.120 -0.000 0.000 0.278 111 V C -0.732 175.291 176.094 -0.119 0.000 1.037 111 V CA -0.511 61.793 62.300 0.006 0.000 0.900 111 V CB 1.144 33.075 31.823 0.180 0.000 0.983 111 V HN 0.835 nan 8.190 nan 0.000 0.459 112 N N 4.977 123.412 118.700 -0.442 0.000 2.525 112 N HA 0.634 5.374 4.740 -0.000 0.000 0.288 112 N C -0.801 174.629 175.510 -0.134 0.000 1.242 112 N CA -0.856 51.981 53.050 -0.355 0.000 0.905 112 N CB 1.017 39.166 38.487 -0.564 0.000 1.258 112 N HN 0.674 nan 8.380 nan 0.000 0.551 113 R N 0.102 120.617 120.500 0.026 0.000 2.668 113 R HA 0.532 4.872 4.340 -0.000 0.000 0.279 113 R C -1.134 175.298 176.300 0.219 0.000 0.976 113 R CA -0.680 55.425 56.100 0.009 0.000 0.978 113 R CB 1.028 31.282 30.300 -0.075 0.000 1.133 113 R HN 0.620 nan 8.270 nan 0.000 0.484 114 F N -0.659 119.337 119.950 0.076 0.000 2.547 114 F HA 0.607 5.134 4.527 -0.000 0.000 0.316 114 F C -0.804 174.974 175.800 -0.036 0.000 1.121 114 F CA -1.265 56.789 58.000 0.091 0.000 0.911 114 F CB 1.193 40.280 39.000 0.144 0.000 1.179 114 F HN 0.277 nan 8.300 nan 0.000 0.443 115 R N 1.444 122.052 120.500 0.179 0.000 2.758 115 R HA 0.381 4.721 4.340 -0.000 0.000 0.265 115 R C -0.620 175.734 176.300 0.091 0.000 1.016 115 R CA -1.174 54.959 56.100 0.054 0.000 1.040 115 R CB 1.268 31.566 30.300 -0.003 0.000 1.152 115 R HN 0.830 nan 8.270 nan 0.000 0.503 116 E N 0.208 120.413 120.200 0.009 0.000 2.437 116 E HA 0.035 4.385 4.350 -0.000 0.000 0.263 116 E C 0.501 177.001 176.600 -0.166 0.000 1.030 116 E CA 1.252 57.605 56.400 -0.077 0.000 0.934 116 E CB 0.300 29.968 29.700 -0.054 0.000 0.943 116 E HN 0.741 nan 8.360 nan 0.000 0.444 117 G N 3.388 111.959 108.800 -0.382 0.000 2.184 117 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.264 117 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.264 117 G C -0.137 174.616 174.900 -0.246 0.000 0.975 117 G CA 0.267 45.155 45.100 -0.352 0.000 0.642 117 G HN 0.640 nan 8.290 nan 0.000 0.536 118 D N 0.286 120.523 120.400 -0.272 0.000 2.341 118 D HA 0.469 5.109 4.640 -0.000 0.000 0.245 118 D C 0.744 176.981 176.300 -0.106 0.000 1.106 118 D CA -0.032 53.895 54.000 -0.122 0.000 0.905 118 D CB 0.723 41.490 40.800 -0.055 0.000 1.202 118 D HN 0.093 nan 8.370 nan 0.000 0.426 119 I N 3.122 123.698 120.570 0.010 0.000 2.354 119 I HA 0.309 4.479 4.170 -0.000 0.000 0.292 119 I C 0.168 176.251 176.117 -0.057 0.000 0.989 119 I CA -0.457 60.871 61.300 0.047 0.000 1.188 119 I CB 1.117 39.179 38.000 0.103 0.000 1.342 119 I HN 0.161 nan 8.210 nan 0.000 0.457 120 I N 5.171 125.652 120.570 -0.148 0.000 2.404 120 I HA 0.487 4.657 4.170 -0.000 0.000 0.293 120 I C 0.283 176.280 176.117 -0.198 0.000 0.992 120 I CA -0.685 60.455 61.300 -0.267 0.000 1.149 120 I CB 2.011 39.669 38.000 -0.570 0.000 1.315 120 I HN 0.576 nan 8.210 nan 0.000 0.446 121 A N 6.522 129.268 122.820 -0.123 0.000 2.258 121 A HA 0.650 4.970 4.320 -0.000 0.000 0.316 121 A C -0.528 177.004 177.584 -0.087 0.000 1.279 121 A CA -0.433 51.564 52.037 -0.067 0.000 0.876 121 A CB 0.707 19.721 19.000 0.024 0.000 1.170 121 A HN 0.475 nan 8.150 nan 0.000 0.520 122 V N 5.771 125.587 119.914 -0.164 0.000 2.257 122 V HA 0.246 4.366 4.120 -0.000 0.000 0.269 122 V C -2.286 173.749 176.094 -0.099 0.000 1.040 122 V CA -1.587 60.596 62.300 -0.196 0.000 0.813 122 V CB 0.703 32.279 31.823 -0.412 0.000 1.065 122 V HN 0.731 nan 8.190 nan 0.000 0.457 123 P HA 0.053 nan 4.420 nan 0.000 0.270 123 P C 0.388 177.661 177.300 -0.045 0.000 1.221 123 P CA 0.170 63.268 63.100 -0.003 0.000 0.788 123 P CB 0.248 31.972 31.700 0.040 0.000 0.904 124 T N 1.596 116.144 114.554 -0.009 0.000 2.902 124 T HA 0.305 4.655 4.350 -0.000 0.000 0.301 124 T C 1.434 176.105 174.700 -0.047 0.000 1.012 124 T CA 1.408 63.504 62.100 -0.007 0.000 1.151 124 T CB -0.515 68.365 68.868 0.020 0.000 0.946 124 T HN 0.826 nan 8.240 nan 0.000 0.542 125 G N 2.893 111.676 108.800 -0.028 0.000 2.179 125 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.260 125 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.260 125 G C 0.236 175.023 174.900 -0.189 0.000 0.977 125 G CA -0.460 44.584 45.100 -0.094 0.000 0.641 125 G HN 0.639 nan 8.290 nan 0.000 0.533 126 I N 1.609 122.071 120.570 -0.181 0.000 2.441 126 I HA 0.305 4.475 4.170 -0.000 0.000 0.287 126 I C 1.272 177.296 176.117 -0.156 0.000 1.049 126 I CA -0.826 60.300 61.300 -0.289 0.000 1.381 126 I CB 1.133 38.843 38.000 -0.483 0.000 1.409 126 I HN -0.095 nan 8.210 nan 0.000 0.523 127 V N 7.681 127.520 119.914 -0.125 0.000 2.637 127 V HA 0.148 4.268 4.120 -0.000 0.000 0.296 127 V C -0.209 175.923 176.094 0.063 0.000 1.046 127 V CA -0.018 62.297 62.300 0.026 0.000 1.066 127 V CB 0.877 32.760 31.823 0.101 0.000 0.968 127 V HN 0.562 nan 8.190 nan 0.000 0.483 128 F N 6.152 126.001 119.950 -0.168 0.000 2.581 128 F HA 0.779 5.306 4.527 -0.000 0.000 0.311 128 F C -1.270 174.533 175.800 0.005 0.000 1.113 128 F CA -0.923 56.968 58.000 -0.183 0.000 0.935 128 F CB 1.592 40.390 39.000 -0.338 0.000 1.232 128 F HN 0.643 nan 8.300 nan 0.000 0.445 129 W N 6.189 127.014 121.300 -0.792 0.000 3.107 129 W HA 0.719 5.379 4.660 -0.000 0.000 0.331 129 W C -2.276 173.888 176.519 -0.591 0.000 1.204 129 W CA -1.336 55.703 57.345 -0.509 0.000 1.184 129 W CB 1.504 30.890 29.460 -0.125 0.000 1.421 129 W HN 0.596 nan 8.180 nan 0.000 0.544 130 M N 2.541 122.172 119.600 0.052 0.000 2.530 130 M HA 0.457 4.937 4.480 -0.000 0.000 0.307 130 M C -1.979 174.685 176.300 0.606 0.000 1.161 130 M CA -0.859 54.576 55.300 0.225 0.000 0.903 130 M CB 3.475 36.187 32.600 0.186 0.000 1.711 130 M HN 0.474 nan 8.290 nan 0.000 0.451 131 Y N 1.919 122.529 120.300 0.516 0.000 2.457 131 Y HA 0.463 5.013 4.550 -0.000 0.000 0.343 131 Y C -1.329 174.776 175.900 0.342 0.000 0.994 131 Y CA -1.263 57.101 58.100 0.440 0.000 1.031 131 Y CB 1.415 40.180 38.460 0.508 0.000 1.246 131 Y HN 0.640 nan 8.280 nan 0.000 0.449 132 N N 4.066 122.505 118.700 -0.435 0.000 2.469 132 N HA 0.182 4.922 4.740 -0.000 0.000 0.253 132 N C -0.073 174.963 175.510 -0.790 0.000 0.970 132 N CA -0.451 52.336 53.050 -0.439 0.000 0.940 132 N CB 0.879 39.279 38.487 -0.145 0.000 1.128 132 N HN 0.779 nan 8.380 nan 0.000 0.503 133 D N 1.991 122.072 120.400 -0.533 0.000 2.240 133 D HA -0.045 4.595 4.640 -0.000 0.000 0.206 133 D C 0.090 176.315 176.300 -0.124 0.000 0.963 133 D CA 0.920 54.764 54.000 -0.261 0.000 0.863 133 D CB 0.092 40.948 40.800 0.093 0.000 0.973 133 D HN 0.501 nan 8.370 nan 0.000 0.501 134 Q N -0.022 119.696 119.800 -0.136 0.000 2.222 134 Q HA 0.253 4.593 4.340 -0.000 0.000 0.211 134 Q C 0.010 175.973 176.000 -0.062 0.000 1.013 134 Q CA -0.321 55.433 55.803 -0.082 0.000 0.993 134 Q CB 1.233 29.916 28.738 -0.091 0.000 1.151 134 Q HN -0.078 nan 8.270 nan 0.000 0.544 135 D N -0.852 119.526 120.400 -0.036 0.000 2.249 135 D HA -0.024 4.616 4.640 -0.000 0.000 0.205 135 D C -0.405 175.887 176.300 -0.013 0.000 0.962 135 D CA 0.458 54.447 54.000 -0.019 0.000 0.860 135 D CB 0.468 41.263 40.800 -0.009 0.000 0.955 135 D HN 0.359 nan 8.370 nan 0.000 0.505 136 T N 2.683 117.227 114.554 -0.017 0.000 2.779 136 T HA 0.220 4.570 4.350 -0.000 0.000 0.296 136 T C -2.455 172.247 174.700 0.003 0.000 0.938 136 T CA -1.264 60.834 62.100 -0.004 0.000 1.119 136 T CB 1.389 70.254 68.868 -0.005 0.000 0.891 136 T HN 0.002 nan 8.240 nan 0.000 0.526 137 P HA 0.081 nan 4.420 nan 0.000 0.262 137 P C -0.416 176.917 177.300 0.054 0.000 1.182 137 P CA -0.229 62.892 63.100 0.034 0.000 0.761 137 P CB 0.314 32.038 31.700 0.040 0.000 0.795 138 V N 6.027 125.987 119.914 0.077 0.000 2.530 138 V HA 0.178 4.298 4.120 -0.000 0.000 0.282 138 V C 0.676 176.834 176.094 0.107 0.000 1.048 138 V CA 0.113 62.488 62.300 0.126 0.000 0.997 138 V CB 0.319 32.278 31.823 0.227 0.000 0.987 138 V HN 0.395 nan 8.190 nan 0.000 0.477 139 I N 4.637 125.265 120.570 0.097 0.000 2.382 139 I HA 0.633 4.803 4.170 -0.000 0.000 0.286 139 I C 0.105 176.261 176.117 0.065 0.000 1.002 139 I CA -0.380 60.977 61.300 0.095 0.000 1.135 139 I CB 1.611 39.686 38.000 0.126 0.000 1.288 139 I HN 0.660 nan 8.210 nan 0.000 0.448 140 A N 6.578 129.430 122.820 0.054 0.000 2.311 140 A HA 0.646 4.966 4.320 -0.000 0.000 0.306 140 A C -0.802 176.812 177.584 0.050 0.000 1.189 140 A CA -0.572 51.470 52.037 0.008 0.000 0.791 140 A CB 1.578 20.551 19.000 -0.045 0.000 1.172 140 A HN 0.534 nan 8.150 nan 0.000 0.481 141 V N 3.233 123.192 119.914 0.075 0.000 2.427 141 V HA 0.823 4.943 4.120 -0.000 0.000 0.286 141 V C -0.138 175.946 176.094 -0.016 0.000 1.034 141 V CA 0.201 62.505 62.300 0.006 0.000 0.893 141 V CB 1.339 33.039 31.823 -0.205 0.000 0.982 141 V HN 1.214 nan 8.190 nan 0.000 0.452 142 S N 6.602 122.226 115.700 -0.127 0.000 2.500 142 S HA 0.758 5.228 4.470 -0.000 0.000 0.301 142 S C -0.839 173.523 174.600 -0.396 0.000 1.092 142 S CA -0.743 57.335 58.200 -0.203 0.000 1.030 142 S CB 1.700 64.858 63.200 -0.070 0.000 1.031 142 S HN 1.223 nan 8.310 nan 0.000 0.483 143 L N 2.382 123.270 121.223 -0.559 0.000 2.305 143 L HA 0.587 4.927 4.340 -0.000 0.000 0.284 143 L C -0.748 175.952 176.870 -0.284 0.000 1.013 143 L CA -0.056 54.445 54.840 -0.564 0.000 0.819 143 L CB 1.673 43.177 42.059 -0.924 0.000 1.227 143 L HN 0.821 nan 8.230 nan 0.000 0.417 144 T N 2.718 117.144 114.554 -0.213 0.000 2.733 144 T HA 0.134 4.484 4.350 -0.000 0.000 0.294 144 T C -0.376 174.240 174.700 -0.141 0.000 0.956 144 T CA -0.152 61.860 62.100 -0.148 0.000 0.987 144 T CB 0.630 69.401 68.868 -0.162 0.000 0.920 144 T HN 0.474 nan 8.240 nan 0.000 0.470 145 D N 3.687 124.033 120.400 -0.090 0.000 2.551 145 D HA 0.172 4.812 4.640 -0.000 0.000 0.223 145 D C 1.263 177.531 176.300 -0.053 0.000 1.144 145 D CA -0.428 53.535 54.000 -0.062 0.000 1.025 145 D CB -0.227 40.556 40.800 -0.030 0.000 1.085 145 D HN 0.515 nan 8.370 nan 0.000 0.506 146 I N 1.936 122.460 120.570 -0.076 0.000 2.335 146 I HA -0.268 3.902 4.170 -0.000 0.000 0.251 146 I C 2.323 178.420 176.117 -0.033 0.000 1.129 146 I CA 0.840 62.100 61.300 -0.066 0.000 1.402 146 I CB -0.153 37.790 38.000 -0.095 0.000 1.069 146 I HN 0.338 nan 8.210 nan 0.000 0.424 147 R N 0.918 121.402 120.500 -0.027 0.000 2.323 147 R HA 0.057 4.397 4.340 -0.000 0.000 0.198 147 R C 1.100 177.398 176.300 -0.005 0.000 0.988 147 R CA 0.152 56.243 56.100 -0.014 0.000 1.041 147 R CB -0.324 29.968 30.300 -0.014 0.000 0.926 147 R HN 0.152 nan 8.270 nan 0.000 0.476 148 S N 1.033 116.732 115.700 -0.002 0.000 2.549 148 S HA -0.006 4.464 4.470 -0.000 0.000 0.283 148 S C 1.161 175.771 174.600 0.016 0.000 1.320 148 S CA -0.129 58.077 58.200 0.010 0.000 1.058 148 S CB 1.183 64.393 63.200 0.016 0.000 0.882 148 S HN 0.493 nan 8.310 nan 0.000 0.498 149 S N 3.919 119.631 115.700 0.019 0.000 2.555 149 S HA -0.010 4.460 4.470 -0.000 0.000 0.230 149 S C 1.113 175.733 174.600 0.033 0.000 0.978 149 S CA 0.297 58.510 58.200 0.022 0.000 0.934 149 S CB -0.390 62.821 63.200 0.018 0.000 0.766 149 S HN 0.775 nan 8.310 nan 0.000 0.533 150 N N 2.448 121.173 118.700 0.041 0.000 2.463 150 N HA 0.043 4.783 4.740 -0.000 0.000 0.181 150 N C 0.094 175.627 175.510 0.039 0.000 1.078 150 N CA 0.359 53.439 53.050 0.050 0.000 0.902 150 N CB -0.490 38.038 38.487 0.068 0.000 0.970 150 N HN 0.543 nan 8.380 nan 0.000 0.451 151 N N 1.657 120.377 118.700 0.033 0.000 2.415 151 N HA 0.059 4.799 4.740 -0.000 0.000 0.246 151 N C 0.127 175.656 175.510 0.032 0.000 1.078 151 N CA 0.141 53.211 53.050 0.033 0.000 0.942 151 N CB 0.449 38.951 38.487 0.024 0.000 1.140 151 N HN 0.036 nan 8.380 nan 0.000 0.501 152 Q N 2.700 122.521 119.800 0.035 0.000 2.247 152 Q HA 0.203 4.543 4.340 -0.000 0.000 0.204 152 Q C 0.421 176.443 176.000 0.038 0.000 0.872 152 Q CA -0.018 55.805 55.803 0.032 0.000 0.951 152 Q CB 0.680 29.435 28.738 0.029 0.000 1.099 152 Q HN 0.607 nan 8.270 nan 0.000 0.501 153 L N 0.266 121.517 121.223 0.048 0.000 2.822 153 L HA 0.144 4.484 4.340 -0.000 0.000 0.153 153 L C 0.613 177.505 176.870 0.037 0.000 1.695 153 L CA -0.301 54.572 54.840 0.054 0.000 2.336 153 L CB -0.012 42.097 42.059 0.084 0.000 2.854 153 L HN 0.142 nan 8.230 nan 0.000 0.610 154 D N -2.273 118.148 120.400 0.035 0.000 2.589 154 D HA 0.125 4.765 4.640 -0.000 0.000 0.268 154 D C 0.120 176.425 176.300 0.008 0.000 1.182 154 D CA -0.541 53.471 54.000 0.020 0.000 1.087 154 D CB 0.374 41.185 40.800 0.019 0.000 1.186 154 D HN 0.281 nan 8.370 nan 0.000 0.620 155 Q N -1.244 118.556 119.800 -0.000 0.000 2.403 155 Q HA 0.160 4.500 4.340 -0.000 0.000 0.203 155 Q C -0.094 175.881 176.000 -0.041 0.000 0.932 155 Q CA 0.117 55.909 55.803 -0.018 0.000 0.945 155 Q CB 0.105 28.836 28.738 -0.012 0.000 1.045 155 Q HN 0.273 nan 8.270 nan 0.000 0.511 156 M N 2.541 122.125 119.600 -0.027 0.000 2.146 156 M HA 0.259 4.738 4.480 -0.000 0.000 0.357 156 M C -2.308 173.937 176.300 -0.091 0.000 1.261 156 M CA -2.784 52.489 55.300 -0.044 0.000 1.106 156 M CB 0.515 33.120 32.600 0.008 0.000 1.612 156 M HN -0.119 nan 8.290 nan 0.000 0.470 157 P HA 0.214 nan 4.420 nan 0.000 0.268 157 P C -0.852 176.366 177.300 -0.136 0.000 1.204 157 P CA 0.092 62.975 63.100 -0.362 0.000 0.768 157 P CB 0.700 31.771 31.700 -1.049 0.000 0.842 158 R N 2.441 122.940 120.500 -0.002 0.000 2.621 158 R HA 0.493 4.833 4.340 -0.000 0.000 0.284 158 R C -0.134 176.237 176.300 0.119 0.000 0.998 158 R CA -0.768 55.360 56.100 0.048 0.000 0.895 158 R CB 2.639 32.941 30.300 0.003 0.000 1.195 158 R HN 0.448 nan 8.270 nan 0.000 0.450 159 R N 2.225 122.741 120.500 0.027 0.000 2.480 159 R HA 0.394 4.734 4.340 -0.000 0.000 0.306 159 R C -1.249 174.910 176.300 -0.234 0.000 0.958 159 R CA -0.548 55.558 56.100 0.010 0.000 0.861 159 R CB 1.321 31.606 30.300 -0.024 0.000 1.171 159 R HN 0.316 nan 8.270 nan 0.000 0.445 160 F N 3.212 122.932 119.950 -0.383 0.000 2.385 160 F HA 0.349 4.876 4.527 -0.000 0.000 0.360 160 F C -0.309 175.220 175.800 -0.452 0.000 1.122 160 F CA -0.651 57.033 58.000 -0.527 0.000 1.090 160 F CB 0.720 38.994 39.000 -1.210 0.000 1.150 160 F HN 0.349 nan 8.300 nan 0.000 0.472 161 Y N 3.315 123.622 120.300 0.012 0.000 2.342 161 Y HA 0.305 4.855 4.550 -0.000 0.000 0.334 161 Y C 1.166 177.128 175.900 0.103 0.000 1.067 161 Y CA -0.641 57.521 58.100 0.105 0.000 1.128 161 Y CB 1.339 39.831 38.460 0.054 0.000 1.200 161 Y HN 0.512 nan 8.280 nan 0.000 0.464 162 L N 2.119 123.535 121.223 0.321 0.000 2.141 162 L HA 0.024 4.364 4.340 -0.000 0.000 0.209 162 L C 0.949 178.032 176.870 0.356 0.000 1.094 162 L CA 0.974 55.992 54.840 0.296 0.000 0.763 162 L CB -0.282 42.000 42.059 0.372 0.000 0.908 162 L HN 0.686 nan 8.230 nan 0.000 0.437 163 A N -1.400 121.604 122.820 0.306 0.000 2.564 163 A HA 0.733 5.053 4.320 -0.000 0.000 0.288 163 A C -0.080 177.555 177.584 0.086 0.000 1.164 163 A CA 0.061 52.226 52.037 0.212 0.000 0.712 163 A CB 1.238 20.351 19.000 0.188 0.000 1.303 163 A HN 0.247 nan 8.150 nan 0.000 0.418 164 G N -0.149 108.671 108.800 0.033 0.000 2.549 164 G HA2 0.186 4.145 3.960 -0.000 0.000 0.404 164 G HA3 0.186 4.145 3.960 -0.000 0.000 0.404 164 G C -0.407 174.421 174.900 -0.120 0.000 1.292 164 G CA 0.307 45.386 45.100 -0.034 0.000 0.935 164 G HN 1.906 nan 8.290 nan 0.000 0.512 165 N N -0.457 118.163 118.700 -0.133 0.000 2.475 165 N HA 0.251 4.991 4.740 -0.000 0.000 0.272 165 N C -0.011 175.426 175.510 -0.122 0.000 1.482 165 N CA 0.550 53.526 53.050 -0.124 0.000 0.863 165 N CB 0.015 38.472 38.487 -0.049 0.000 1.400 165 N HN 1.003 nan 8.380 nan 0.000 0.489 166 H N -1.673 117.319 119.070 -0.130 0.000 2.496 166 H HA 0.569 5.125 4.556 -0.000 0.000 0.342 166 H C -0.229 174.991 175.328 -0.180 0.000 1.170 166 H CA -0.755 55.194 56.048 -0.165 0.000 1.274 166 H CB 0.731 30.359 29.762 -0.223 0.000 1.538 166 H HN -0.041 nan 8.280 nan 0.000 0.542 167 E N 0.662 120.859 120.200 -0.006 0.000 2.392 167 E HA -0.018 4.332 4.350 -0.000 0.000 0.259 167 E C -0.020 176.597 176.600 0.030 0.000 1.108 167 E CA -0.732 55.645 56.400 -0.039 0.000 0.916 167 E CB 0.708 30.377 29.700 -0.051 0.000 0.989 167 E HN 0.607 nan 8.360 nan 0.000 0.432 168 Q N 2.238 122.042 119.800 0.006 0.000 2.293 168 Q HA -0.010 4.330 4.340 -0.000 0.000 0.251 168 Q C -0.111 175.877 176.000 -0.020 0.000 0.930 168 Q CA -0.044 55.810 55.803 0.084 0.000 0.893 168 Q CB 1.117 29.959 28.738 0.172 0.000 1.215 168 Q HN 0.495 nan 8.270 nan 0.000 0.425 169 E N 2.588 122.716 120.200 -0.121 0.000 2.219 169 E HA -0.160 4.190 4.350 -0.000 0.000 0.198 169 E C 0.571 176.995 176.600 -0.293 0.000 0.998 169 E CA 1.617 57.830 56.400 -0.311 0.000 0.818 169 E CB -0.235 29.142 29.700 -0.537 0.000 0.741 169 E HN 0.583 nan 8.360 nan 0.000 0.477 170 F N -0.085 119.918 119.950 0.088 0.000 2.727 170 F HA 0.188 4.715 4.527 -0.000 0.000 0.302 170 F C 1.666 177.542 175.800 0.127 0.000 1.097 170 F CA -0.259 57.864 58.000 0.204 0.000 1.330 170 F CB 0.013 39.096 39.000 0.138 0.000 1.084 170 F HN 0.038 nan 8.300 nan 0.000 0.578 171 L N 1.205 122.505 121.223 0.128 0.000 2.079 171 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 171 L C 2.056 178.922 176.870 -0.006 0.000 1.081 171 L CA 2.067 56.934 54.840 0.045 0.000 0.752 171 L CB -0.793 41.256 42.059 -0.016 0.000 0.896 171 L HN 0.362 nan 8.230 nan 0.000 0.433 172 Q N -1.978 117.733 119.800 -0.149 0.000 2.437 172 Q HA -0.194 4.146 4.340 -0.000 0.000 0.210 172 Q C 1.228 177.059 176.000 -0.282 0.000 0.972 172 Q CA 1.401 57.039 55.803 -0.275 0.000 0.903 172 Q CB -0.471 27.999 28.738 -0.446 0.000 0.967 172 Q HN 0.515 nan 8.270 nan 0.000 0.486 173 Y N 1.025 121.365 120.300 0.067 0.000 2.457 173 Y HA 0.210 4.760 4.550 -0.000 0.000 0.263 173 Y C 0.822 176.783 175.900 0.102 0.000 1.164 173 Y CA -0.319 57.822 58.100 0.069 0.000 1.274 173 Y CB 0.325 38.843 38.460 0.096 0.000 1.097 173 Y HN 0.133 nan 8.280 nan 0.000 0.523 174 Q N -0.031 119.906 119.800 0.229 0.000 2.173 174 Q HA 0.497 4.837 4.340 -0.000 0.000 0.186 174 Q C -0.742 175.476 176.000 0.365 0.000 1.018 174 Q CA -0.646 55.308 55.803 0.251 0.000 1.064 174 Q CB 1.087 29.904 28.738 0.132 0.000 1.130 174 Q HN 0.523 nan 8.270 nan 0.000 0.553 175 H N -3.281 115.803 119.070 0.024 0.000 2.984 175 H HA 0.221 4.777 4.556 -0.000 0.000 0.298 175 H C -1.395 173.937 175.328 0.006 0.000 1.378 175 H CA -1.150 54.904 56.048 0.010 0.000 1.241 175 H CB 0.381 30.150 29.762 0.012 0.000 1.894 175 H HN 0.343 nan 8.280 nan 0.000 0.511 187 G N -0.204 108.582 108.800 -0.022 0.000 2.494 187 G HA2 0.354 4.314 3.960 -0.000 0.000 0.270 187 G HA3 0.354 4.314 3.960 -0.000 0.000 0.270 187 G C 0.217 175.087 174.900 -0.051 0.000 1.423 187 G CA 0.248 45.330 45.100 -0.030 0.000 1.055 187 G HN 0.285 nan 8.290 nan 0.000 0.536 188 N N -0.708 117.948 118.700 -0.073 0.000 2.082 188 N HA 0.006 4.746 4.740 -0.000 0.000 0.228 188 N C 0.070 175.524 175.510 -0.093 0.000 1.341 188 N CA -0.224 52.763 53.050 -0.105 0.000 0.873 188 N CB 0.560 38.949 38.487 -0.164 0.000 1.137 188 N HN 0.734 nan 8.380 nan 0.000 0.505 189 N N 1.135 119.808 118.700 -0.044 0.000 2.463 189 N HA 0.116 4.856 4.740 -0.000 0.000 0.270 189 N C 1.181 176.722 175.510 0.052 0.000 1.205 189 N CA -0.422 52.645 53.050 0.029 0.000 0.974 189 N CB 1.332 39.878 38.487 0.097 0.000 1.197 189 N HN -0.238 nan 8.380 nan 0.000 0.504 190 I N -1.602 118.987 120.570 0.033 0.000 2.286 190 I HA -0.116 4.054 4.170 -0.000 0.000 0.248 190 I C 1.703 177.857 176.117 0.062 0.000 1.115 190 I CA 1.093 62.392 61.300 -0.002 0.000 1.392 190 I CB -0.846 37.146 38.000 -0.013 0.000 1.065 190 I HN 0.405 nan 8.210 nan 0.000 0.418 191 F N 1.317 121.444 119.950 0.294 0.000 2.293 191 F HA -0.119 4.408 4.527 -0.000 0.000 0.300 191 F C 2.839 178.791 175.800 0.254 0.000 1.086 191 F CA 1.358 59.575 58.000 0.362 0.000 1.375 191 F CB -1.100 38.054 39.000 0.258 0.000 1.045 191 F HN 0.233 nan 8.300 nan 0.000 0.516 192 S N -0.030 115.837 115.700 0.279 0.000 2.469 192 S HA -0.074 4.396 4.470 -0.000 0.000 0.238 192 S C 2.184 176.821 174.600 0.061 0.000 0.998 192 S CA 1.232 59.517 58.200 0.142 0.000 0.957 192 S CB -0.756 62.485 63.200 0.068 0.000 0.764 192 S HN 0.353 nan 8.310 nan 0.000 0.514 193 G N -0.619 108.171 108.800 -0.016 0.000 2.939 193 G HA2 0.280 4.240 3.960 -0.000 0.000 0.210 193 G HA3 0.280 4.240 3.960 -0.000 0.000 0.210 193 G C 0.071 174.798 174.900 -0.288 0.000 1.160 193 G CA -0.304 44.678 45.100 -0.197 0.000 0.770 193 G HN 0.444 nan 8.290 nan 0.000 0.543 194 F N 0.065 120.071 119.950 0.094 0.000 2.399 194 F HA 0.575 5.102 4.527 -0.000 0.000 0.328 194 F C 0.501 176.319 175.800 0.029 0.000 1.084 194 F CA -1.221 56.825 58.000 0.077 0.000 1.053 194 F CB 1.364 40.498 39.000 0.223 0.000 1.209 194 F HN -0.314 nan 8.300 nan 0.000 0.502 195 K N 1.559 122.029 120.400 0.117 0.000 2.416 195 K HA 0.132 4.452 4.320 -0.000 0.000 0.283 195 K C 1.191 177.893 176.600 0.170 0.000 1.037 195 K CA 0.331 56.635 56.287 0.029 0.000 0.995 195 K CB 0.390 32.779 32.500 -0.185 0.000 0.938 195 K HN 0.477 nan 8.250 nan 0.000 0.475 196 R N 1.866 122.448 120.500 0.137 0.000 2.159 196 R HA -0.252 4.088 4.340 -0.000 0.000 0.249 196 R C 0.817 177.223 176.300 0.176 0.000 1.136 196 R CA 2.310 58.497 56.100 0.146 0.000 0.951 196 R CB -0.058 30.298 30.300 0.093 0.000 0.876 196 R HN 0.714 nan 8.270 nan 0.000 0.440 197 D N -0.459 120.045 120.400 0.173 0.000 2.123 197 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 197 D C 1.680 178.149 176.300 0.282 0.000 0.992 197 D CA 1.084 55.200 54.000 0.195 0.000 0.833 197 D CB -0.319 40.592 40.800 0.183 0.000 0.954 197 D HN 0.102 nan 8.370 nan 0.000 0.455 198 F N 0.472 120.465 119.950 0.071 0.000 2.091 198 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 198 F C 2.218 178.033 175.800 0.024 0.000 1.103 198 F CA 0.706 58.732 58.000 0.042 0.000 1.228 198 F CB -0.595 38.451 39.000 0.077 0.000 0.984 198 F HN -0.016 nan 8.300 nan 0.000 0.477 199 L N -0.229 121.164 121.223 0.285 0.000 2.109 199 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 199 L C 2.251 179.252 176.870 0.217 0.000 1.086 199 L CA 1.421 56.413 54.840 0.253 0.000 0.760 199 L CB -1.281 40.952 42.059 0.290 0.000 0.910 199 L HN 0.161 nan 8.230 nan 0.000 0.437 200 E N -0.411 119.884 120.200 0.159 0.000 2.058 200 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 200 E C 1.663 178.311 176.600 0.080 0.000 0.997 200 E CA 1.529 57.997 56.400 0.113 0.000 0.801 200 E CB 0.003 29.756 29.700 0.089 0.000 0.746 200 E HN 0.471 nan 8.360 nan 0.000 0.450 201 D N -0.088 120.338 120.400 0.043 0.000 2.149 201 D HA -0.070 4.570 4.640 -0.000 0.000 0.201 201 D C 1.776 178.029 176.300 -0.078 0.000 0.972 201 D CA 1.138 55.125 54.000 -0.022 0.000 0.835 201 D CB -0.235 40.530 40.800 -0.058 0.000 0.966 201 D HN 0.161 nan 8.370 nan 0.000 0.476 202 A N -0.370 122.375 122.820 -0.124 0.000 1.969 202 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 202 A C 1.718 179.094 177.584 -0.347 0.000 1.169 202 A CA 0.958 52.824 52.037 -0.285 0.000 0.635 202 A CB -0.524 18.238 19.000 -0.396 0.000 0.810 202 A HN 0.157 nan 8.150 nan 0.000 0.445 203 F N -1.839 118.074 119.950 -0.061 0.000 2.622 203 F HA 0.237 4.764 4.527 -0.000 0.000 0.288 203 F C 0.853 176.624 175.800 -0.048 0.000 1.120 203 F CA 0.287 58.250 58.000 -0.062 0.000 1.423 203 F CB 0.231 39.179 39.000 -0.086 0.000 1.127 203 F HN 0.205 nan 8.300 nan 0.000 0.588 204 N N 0.601 119.375 118.700 0.123 0.000 2.783 204 N HA -0.143 4.597 4.740 -0.000 0.000 0.247 204 N C -0.783 174.768 175.510 0.068 0.000 1.089 204 N CA 0.870 53.960 53.050 0.067 0.000 0.690 204 N CB -1.307 37.203 38.487 0.038 0.000 0.991 204 N HN 0.186 nan 8.380 nan 0.000 0.552 205 V N -2.134 117.827 119.914 0.078 0.000 3.046 205 V HA 0.769 4.889 4.120 -0.000 0.000 0.316 205 V C 0.685 176.798 176.094 0.032 0.000 1.104 205 V CA -0.990 61.332 62.300 0.036 0.000 1.006 205 V CB 1.906 33.724 31.823 -0.009 0.000 1.058 205 V HN 0.321 nan 8.190 nan 0.000 0.440 206 N N 1.113 119.828 118.700 0.025 0.000 2.294 206 N HA 0.190 4.930 4.740 -0.000 0.000 0.248 206 N C 0.778 176.311 175.510 0.039 0.000 1.300 206 N CA -0.044 53.027 53.050 0.036 0.000 0.925 206 N CB 0.215 38.726 38.487 0.040 0.000 1.188 206 N HN 0.832 nan 8.380 nan 0.000 0.512 207 R N -1.141 119.389 120.500 0.050 0.000 2.115 207 R HA -0.154 4.186 4.340 -0.000 0.000 0.230 207 R C 2.061 178.390 176.300 0.048 0.000 1.111 207 R CA 1.440 57.568 56.100 0.047 0.000 0.976 207 R CB -0.980 29.349 30.300 0.049 0.000 0.870 207 R HN 0.809 nan 8.270 nan 0.000 0.445 208 H N 0.313 119.371 119.070 -0.019 0.000 2.293 208 H HA -0.088 4.468 4.556 -0.000 0.000 0.300 208 H C 1.890 177.190 175.328 -0.046 0.000 1.082 208 H CA 2.282 58.313 56.048 -0.028 0.000 1.308 208 H CB -0.062 29.684 29.762 -0.028 0.000 1.375 208 H HN 0.264 nan 8.280 nan 0.000 0.495 209 I N 0.569 121.106 120.570 -0.056 0.000 2.208 209 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 209 I C 2.722 178.712 176.117 -0.213 0.000 1.097 209 I CA 1.016 62.224 61.300 -0.154 0.000 1.363 209 I CB -0.210 37.734 38.000 -0.093 0.000 1.051 209 I HN 0.124 nan 8.210 nan 0.000 0.413 210 V N 0.647 120.478 119.914 -0.139 0.000 2.358 210 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 210 V C 2.054 178.086 176.094 -0.103 0.000 1.047 210 V CA 1.904 64.135 62.300 -0.115 0.000 1.035 210 V CB -0.665 31.148 31.823 -0.017 0.000 0.658 210 V HN 0.384 nan 8.190 nan 0.000 0.452 211 D N -0.201 120.136 120.400 -0.105 0.000 2.149 211 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 211 D C 2.409 178.629 176.300 -0.134 0.000 0.990 211 D CA 0.921 54.863 54.000 -0.097 0.000 0.839 211 D CB -0.260 40.481 40.800 -0.098 0.000 0.948 211 D HN 0.226 nan 8.370 nan 0.000 0.460 212 R N 0.132 120.496 120.500 -0.227 0.000 2.075 212 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 212 R C 2.191 178.403 176.300 -0.147 0.000 1.126 212 R CA 0.209 56.183 56.100 -0.210 0.000 0.963 212 R CB -0.957 29.172 30.300 -0.284 0.000 0.858 212 R HN 0.216 nan 8.270 nan 0.000 0.435 213 L N 1.647 122.756 121.223 -0.191 0.000 2.079 213 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 213 L C 1.850 178.718 176.870 -0.003 0.000 1.081 213 L CA 1.802 56.511 54.840 -0.219 0.000 0.752 213 L CB -0.512 41.297 42.059 -0.418 0.000 0.896 213 L HN 0.228 nan 8.230 nan 0.000 0.433 214 Q N -1.256 118.556 119.800 0.021 0.000 2.360 214 Q HA 0.208 4.548 4.340 -0.000 0.000 0.202 214 Q C 1.058 177.085 176.000 0.046 0.000 0.915 214 Q CA 0.488 56.347 55.803 0.095 0.000 0.943 214 Q CB 0.204 28.994 28.738 0.086 0.000 1.064 214 Q HN 0.563 nan 8.270 nan 0.000 0.511 215 G N 1.988 110.791 108.800 0.005 0.000 2.273 215 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.280 215 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.280 215 G C 0.589 175.479 174.900 -0.017 0.000 1.047 215 G CA 0.528 45.622 45.100 -0.010 0.000 0.869 215 G HN 0.337 nan 8.290 nan 0.000 0.502 216 R N -0.649 119.837 120.500 -0.024 0.000 2.115 216 R HA 0.004 4.344 4.340 -0.000 0.000 0.230 216 R C 2.247 178.535 176.300 -0.020 0.000 1.111 216 R CA 1.478 57.566 56.100 -0.019 0.000 0.976 216 R CB -0.170 30.119 30.300 -0.018 0.000 0.870 216 R HN 0.617 nan 8.270 nan 0.000 0.445 217 N N 0.249 118.933 118.700 -0.027 0.000 2.392 217 N HA -0.060 4.680 4.740 -0.000 0.000 0.177 217 N C 0.095 175.597 175.510 -0.013 0.000 1.066 217 N CA -0.118 52.922 53.050 -0.018 0.000 0.895 217 N CB 0.456 38.932 38.487 -0.019 0.000 0.988 217 N HN 0.229 nan 8.380 nan 0.000 0.457 218 E N 2.260 122.451 120.200 -0.015 0.000 2.313 218 E HA -0.010 4.340 4.350 -0.000 0.000 0.276 218 E C -0.844 175.751 176.600 -0.007 0.000 1.031 218 E CA -0.694 55.702 56.400 -0.008 0.000 0.857 218 E CB 0.678 30.376 29.700 -0.003 0.000 1.040 218 E HN 0.122 nan 8.360 nan 0.000 0.408 219 D N 2.822 123.219 120.400 -0.005 0.000 2.387 219 D HA -0.043 4.597 4.640 -0.000 0.000 0.251 219 D C 0.638 176.936 176.300 -0.003 0.000 1.141 219 D CA -0.388 53.608 54.000 -0.007 0.000 0.987 219 D CB 1.070 41.865 40.800 -0.008 0.000 1.116 219 D HN 0.689 nan 8.370 nan 0.000 0.491 220 E N -0.401 119.794 120.200 -0.008 0.000 2.265 220 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 220 E C 1.383 177.981 176.600 -0.003 0.000 0.996 220 E CA 0.872 57.271 56.400 -0.002 0.000 0.832 220 E CB 0.125 29.816 29.700 -0.015 0.000 0.756 220 E HN 0.546 nan 8.360 nan 0.000 0.491 221 E N 0.297 120.489 120.200 -0.013 0.000 2.208 221 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 221 E C 1.765 178.348 176.600 -0.028 0.000 0.988 221 E CA 0.761 57.146 56.400 -0.025 0.000 0.828 221 E CB 0.137 29.824 29.700 -0.021 0.000 0.763 221 E HN 0.092 nan 8.360 nan 0.000 0.478 222 K N -0.449 119.945 120.400 -0.012 0.000 1.978 222 K HA -0.095 4.225 4.320 -0.000 0.000 0.214 222 K C 0.724 177.299 176.600 -0.042 0.000 1.049 222 K CA 1.355 57.636 56.287 -0.010 0.000 0.939 222 K CB -0.230 32.278 32.500 0.013 0.000 0.721 222 K HN 0.248 nan 8.250 nan 0.000 0.441 223 G N -2.137 106.634 108.800 -0.048 0.000 2.661 223 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.685 223 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.685 223 G C 0.412 175.045 174.900 -0.445 0.000 1.298 223 G CA -0.040 44.889 45.100 -0.285 0.000 0.855 223 G HN 0.428 nan 8.290 nan 0.000 0.560 224 A N -0.557 121.668 122.820 -0.991 0.000 1.978 224 A HA 0.282 4.602 4.320 -0.000 0.000 0.220 224 A C 1.425 178.954 177.584 -0.091 0.000 1.170 224 A CA 1.772 53.449 52.037 -0.601 0.000 0.636 224 A CB -0.303 18.337 19.000 -0.601 0.000 0.810 224 A HN 1.081 nan 8.150 nan 0.000 0.448 225 I N 0.136 120.649 120.570 -0.094 0.000 2.339 225 I HA 0.412 4.582 4.170 -0.000 0.000 0.290 225 I C -0.836 175.297 176.117 0.027 0.000 0.994 225 I CA -0.451 60.864 61.300 0.025 0.000 1.191 225 I CB 1.666 39.684 38.000 0.031 0.000 1.343 225 I HN -0.079 nan 8.210 nan 0.000 0.458 226 V N 6.877 126.835 119.914 0.074 0.000 2.604 226 V HA 0.386 4.506 4.120 -0.000 0.000 0.305 226 V C -0.086 176.059 176.094 0.085 0.000 1.043 226 V CA -0.794 61.543 62.300 0.062 0.000 0.888 226 V CB 2.333 34.193 31.823 0.062 0.000 0.995 226 V HN 0.552 nan 8.190 nan 0.000 0.429 227 K N 3.402 123.840 120.400 0.064 0.000 2.298 227 K HA 0.380 4.700 4.320 -0.000 0.000 0.280 227 K C -0.865 175.779 176.600 0.074 0.000 1.032 227 K CA -0.036 56.296 56.287 0.074 0.000 0.958 227 K CB 1.452 33.982 32.500 0.049 0.000 0.978 227 K HN 0.448 nan 8.250 nan 0.000 0.472 228 V N 5.632 125.609 119.914 0.106 0.000 2.266 228 V HA 0.114 4.234 4.120 -0.000 0.000 0.271 228 V C 1.545 177.679 176.094 0.068 0.000 1.032 228 V CA -0.510 61.835 62.300 0.075 0.000 0.806 228 V CB 1.051 32.923 31.823 0.082 0.000 1.052 228 V HN 0.773 nan 8.190 nan 0.000 0.449 229 K N 3.790 124.213 120.400 0.038 0.000 2.015 229 K HA -0.200 4.120 4.320 -0.000 0.000 0.216 229 K C 2.040 178.659 176.600 0.031 0.000 1.052 229 K CA 2.294 58.600 56.287 0.031 0.000 0.937 229 K CB -0.388 32.121 32.500 0.017 0.000 0.719 229 K HN 0.762 nan 8.250 nan 0.000 0.446 230 G N 0.070 108.878 108.800 0.014 0.000 2.469 230 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.219 230 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.219 230 G C 0.572 175.489 174.900 0.027 0.000 1.150 230 G CA 0.972 46.076 45.100 0.007 0.000 0.763 230 G HN 0.758 nan 8.290 nan 0.000 0.561 231 G N -1.011 107.820 108.800 0.052 0.000 3.172 231 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.686 231 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.686 231 G C -0.251 174.655 174.900 0.009 0.000 1.009 231 G CA -0.449 44.721 45.100 0.117 0.000 0.787 231 G HN 0.627 nan 8.290 nan 0.000 0.559 232 L N 1.696 122.858 121.223 -0.103 0.000 2.500 232 L HA 0.254 4.594 4.340 -0.000 0.000 0.272 232 L C 1.062 177.821 176.870 -0.186 0.000 1.149 232 L CA -0.076 54.570 54.840 -0.323 0.000 0.897 232 L CB 0.796 42.364 42.059 -0.817 0.000 1.178 232 L HN 0.553 nan 8.230 nan 0.000 0.473 233 S N 6.142 121.743 115.700 -0.164 0.000 3.036 233 S HA 0.434 4.904 4.470 -0.000 0.000 0.301 233 S C -0.022 174.471 174.600 -0.177 0.000 1.205 233 S CA -0.460 57.663 58.200 -0.128 0.000 0.999 233 S CB -0.491 62.655 63.200 -0.089 0.000 1.337 233 S HN 0.475 nan 8.310 nan 0.000 0.515 234 I N -0.445 119.993 120.570 -0.222 0.000 2.828 234 I HA 0.797 4.967 4.170 -0.000 0.000 0.302 234 I C -1.091 174.886 176.117 -0.233 0.000 1.101 234 I CA -1.270 59.876 61.300 -0.256 0.000 1.031 234 I CB 1.724 39.525 38.000 -0.332 0.000 1.231 234 I HN 0.189 nan 8.210 nan 0.000 0.427 317 V N 1.794 121.516 119.914 -0.320 0.000 2.638 317 V HA 0.679 4.799 4.120 -0.000 0.000 0.306 317 V C 0.081 176.012 176.094 -0.272 0.000 1.052 317 V CA -0.505 61.680 62.300 -0.192 0.000 0.885 317 V CB 1.796 33.580 31.823 -0.066 0.000 0.999 317 V HN 1.320 nan 8.190 nan 0.000 0.424 318 c N 3.682 122.137 118.600 -0.241 0.000 3.115 318 c HA 0.356 4.926 4.570 -0.000 0.000 0.277 318 c C 1.560 175.472 174.090 -0.297 0.000 1.460 318 c CA 0.583 56.696 56.329 -0.359 0.000 1.789 318 c CB -0.665 41.685 42.510 -0.266 0.000 2.674 318 c HN 0.970 nan 8.230 nan 0.000 0.582 319 T N 0.473 114.907 114.554 -0.200 0.000 3.129 319 T HA 0.481 4.831 4.350 -0.000 0.000 0.267 319 T C 0.764 175.395 174.700 -0.115 0.000 1.018 319 T CA 0.680 62.698 62.100 -0.137 0.000 0.903 319 T CB -0.341 68.479 68.868 -0.081 0.000 1.067 319 T HN 0.595 nan 8.240 nan 0.000 0.549 320 A N 1.458 124.186 122.820 -0.154 0.000 2.386 320 A HA 0.484 4.804 4.320 -0.000 0.000 0.248 320 A C 0.281 177.838 177.584 -0.046 0.000 1.082 320 A CA -0.343 51.644 52.037 -0.084 0.000 0.789 320 A CB 0.226 19.176 19.000 -0.083 0.000 1.025 320 A HN 0.489 nan 8.150 nan 0.000 0.490 321 K N 0.984 121.388 120.400 0.007 0.000 2.379 321 K HA 0.203 4.523 4.320 -0.000 0.000 0.284 321 K C -0.065 176.581 176.600 0.076 0.000 1.044 321 K CA -0.408 55.906 56.287 0.045 0.000 0.974 321 K CB 0.262 32.791 32.500 0.048 0.000 0.962 321 K HN 0.519 nan 8.250 nan 0.000 0.474 322 L N 3.771 125.075 121.223 0.134 0.000 2.640 322 L HA 0.196 4.536 4.340 -0.000 0.000 0.230 322 L C 0.511 177.470 176.870 0.148 0.000 1.123 322 L CA 0.737 55.687 54.840 0.184 0.000 0.900 322 L CB -0.799 41.459 42.059 0.331 0.000 1.146 322 L HN 0.665 nan 8.230 nan 0.000 0.484 323 R N 0.118 120.701 120.500 0.139 0.000 2.643 323 R HA 0.589 4.929 4.340 -0.000 0.000 0.269 323 R C -2.320 174.028 176.300 0.080 0.000 1.037 323 R CA -0.539 55.621 56.100 0.099 0.000 0.894 323 R CB 2.272 32.693 30.300 0.202 0.000 1.238 323 R HN -0.010 nan 8.270 nan 0.000 0.459 324 L N 2.204 123.458 121.223 0.051 0.000 2.591 324 L HA 0.431 4.771 4.340 -0.000 0.000 0.257 324 L C -1.687 175.203 176.870 0.032 0.000 0.935 324 L CA -0.692 54.175 54.840 0.044 0.000 0.873 324 L CB 2.329 44.411 42.059 0.039 0.000 1.397 324 L HN 0.744 nan 8.230 nan 0.000 0.414 325 N N 4.016 122.730 118.700 0.023 0.000 2.479 325 N HA 0.455 5.195 4.740 -0.000 0.000 0.285 325 N C 0.012 175.523 175.510 0.003 0.000 1.075 325 N CA -0.248 52.805 53.050 0.006 0.000 0.967 325 N CB 1.379 39.863 38.487 -0.005 0.000 1.137 325 N HN 0.753 nan 8.380 nan 0.000 0.472 326 I N -0.234 120.336 120.570 0.001 0.000 3.994 326 I HA 0.449 4.619 4.170 -0.000 0.000 0.323 326 I C 0.666 176.716 176.117 -0.113 0.000 1.501 326 I CA -0.716 60.576 61.300 -0.013 0.000 1.112 326 I CB 0.493 38.508 38.000 0.026 0.000 1.254 326 I HN 0.261 nan 8.210 nan 0.000 0.495 327 G N 1.980 110.682 108.800 -0.164 0.000 2.563 327 G HA2 0.372 4.332 3.960 -0.000 0.000 0.283 327 G HA3 0.372 4.332 3.960 -0.000 0.000 0.283 327 G C -1.770 173.054 174.900 -0.127 0.000 1.309 327 G CA -0.991 43.925 45.100 -0.306 0.000 1.022 327 G HN 0.012 nan 8.290 nan 0.000 0.501 328 P HA -0.135 nan 4.420 nan 0.000 0.219 328 P C 1.831 179.114 177.300 -0.027 0.000 1.144 328 P CA 1.880 64.982 63.100 0.002 0.000 0.806 328 P CB 0.103 31.819 31.700 0.026 0.000 0.771 329 S N -2.594 113.083 115.700 -0.039 0.000 2.593 329 S HA 0.113 4.583 4.470 -0.000 0.000 0.217 329 S C 0.809 175.387 174.600 -0.037 0.000 0.966 329 S CA -0.244 57.934 58.200 -0.037 0.000 0.914 329 S CB -0.772 62.408 63.200 -0.033 0.000 0.776 329 S HN 0.177 nan 8.310 nan 0.000 0.523 330 S N 1.504 117.182 115.700 -0.037 0.000 2.664 330 S HA 0.652 5.122 4.470 -0.000 0.000 0.304 330 S C -0.096 174.483 174.600 -0.036 0.000 1.099 330 S CA -0.503 57.680 58.200 -0.030 0.000 1.003 330 S CB 1.339 64.527 63.200 -0.021 0.000 1.092 330 S HN 0.461 nan 8.310 nan 0.000 0.525 331 S N 1.303 116.985 115.700 -0.030 0.000 2.498 331 S HA 0.355 4.825 4.470 -0.000 0.000 0.281 331 S C -2.523 172.068 174.600 -0.016 0.000 1.265 331 S CA -0.719 57.462 58.200 -0.033 0.000 1.071 331 S CB -0.638 62.550 63.200 -0.020 0.000 0.894 331 S HN 0.567 nan 8.310 nan 0.000 0.491 332 P HA 0.235 nan 4.420 nan 0.000 0.272 332 P C 0.213 177.535 177.300 0.037 0.000 1.240 332 P CA -0.452 62.667 63.100 0.031 0.000 0.791 332 P CB 0.483 32.231 31.700 0.079 0.000 0.978 333 D N 0.002 120.423 120.400 0.036 0.000 2.277 333 D HA 0.099 4.739 4.640 -0.000 0.000 0.209 333 D C 0.530 176.856 176.300 0.042 0.000 0.970 333 D CA 1.267 55.277 54.000 0.018 0.000 0.874 333 D CB 0.410 41.198 40.800 -0.020 0.000 0.982 333 D HN 0.292 nan 8.370 nan 0.000 0.504 334 I N 0.888 121.505 120.570 0.078 0.000 2.476 334 I HA 0.157 4.327 4.170 -0.000 0.000 0.281 334 I C -1.449 174.781 176.117 0.189 0.000 1.040 334 I CA -0.864 60.504 61.300 0.113 0.000 1.094 334 I CB 1.899 39.963 38.000 0.107 0.000 1.219 334 I HN -0.188 nan 8.210 nan 0.000 0.450 335 Y N 7.007 127.332 120.300 0.041 0.000 2.326 335 Y HA 0.515 5.065 4.550 -0.000 0.000 0.331 335 Y C -0.817 175.097 175.900 0.024 0.000 0.962 335 Y CA -0.940 57.180 58.100 0.034 0.000 1.167 335 Y CB 1.278 39.759 38.460 0.036 0.000 1.148 335 Y HN 0.526 nan 8.280 nan 0.000 0.463 336 N N 8.348 126.695 118.700 -0.588 0.000 2.573 336 N HA 0.404 5.144 4.740 -0.000 0.000 0.262 336 N C -2.514 172.524 175.510 -0.785 0.000 1.029 336 N CA -2.671 50.031 53.050 -0.581 0.000 0.882 336 N CB 1.991 40.260 38.487 -0.363 0.000 1.204 336 N HN 0.302 nan 8.380 nan 0.000 0.519 337 P HA -0.113 nan 4.420 nan 0.000 0.221 337 P C 0.392 177.623 177.300 -0.116 0.000 1.141 337 P CA 1.155 63.996 63.100 -0.432 0.000 0.794 337 P CB 0.445 32.057 31.700 -0.145 0.000 0.764 338 E N -2.457 117.603 120.200 -0.233 0.000 2.481 338 E HA 0.258 4.608 4.350 -0.000 0.000 0.198 338 E C 1.229 177.618 176.600 -0.351 0.000 1.027 338 E CA 0.148 56.464 56.400 -0.140 0.000 0.900 338 E CB 0.555 30.177 29.700 -0.130 0.000 0.993 338 E HN 0.155 nan 8.360 nan 0.000 0.482 339 A N -0.446 121.947 122.820 -0.712 0.000 1.773 339 A HA 0.593 4.913 4.320 -0.000 0.000 0.210 339 A C 0.996 178.001 177.584 -0.965 0.000 1.775 339 A CA 0.773 52.356 52.037 -0.756 0.000 1.157 339 A CB 0.847 19.558 19.000 -0.482 0.000 1.119 339 A HN 0.236 nan 8.150 nan 0.000 0.501 340 G N -0.558 107.864 108.800 -0.630 0.000 2.367 340 G HA2 0.496 4.455 3.960 -0.000 0.000 0.272 340 G HA3 0.496 4.455 3.960 -0.000 0.000 0.272 340 G C -1.415 173.494 174.900 0.015 0.000 1.271 340 G CA -0.079 44.889 45.100 -0.220 0.000 0.893 340 G HN 1.079 nan 8.290 nan 0.000 0.485 341 R N -1.271 119.314 120.500 0.142 0.000 2.680 341 R HA 0.770 5.110 4.340 -0.000 0.000 0.269 341 R C -1.676 174.705 176.300 0.136 0.000 1.026 341 R CA -0.975 55.253 56.100 0.213 0.000 0.889 341 R CB 1.710 32.214 30.300 0.340 0.000 1.241 341 R HN 0.564 nan 8.270 nan 0.000 0.463 342 I N 1.537 122.185 120.570 0.130 0.000 2.533 342 I HA 0.487 4.657 4.170 -0.000 0.000 0.290 342 I C -0.657 175.485 176.117 0.041 0.000 1.056 342 I CA -0.786 60.555 61.300 0.068 0.000 1.057 342 I CB 1.697 39.749 38.000 0.086 0.000 1.240 342 I HN 0.653 nan 8.210 nan 0.000 0.423 343 K N 3.932 124.346 120.400 0.024 0.000 2.378 343 K HA 0.656 4.976 4.320 -0.000 0.000 0.252 343 K C -0.821 175.769 176.600 -0.017 0.000 0.931 343 K CA -0.260 56.036 56.287 0.014 0.000 0.794 343 K CB 2.746 35.268 32.500 0.037 0.000 1.181 343 K HN 0.849 nan 8.250 nan 0.000 0.425 344 T N -0.429 114.104 114.554 -0.034 0.000 2.886 344 T HA 0.371 4.721 4.350 -0.000 0.000 0.292 344 T C -1.013 173.669 174.700 -0.031 0.000 1.012 344 T CA -0.752 61.318 62.100 -0.049 0.000 0.982 344 T CB 1.509 70.328 68.868 -0.082 0.000 1.018 344 T HN 0.207 nan 8.240 nan 0.000 0.451 345 V N 4.651 124.552 119.914 -0.021 0.000 2.394 345 V HA 0.826 4.946 4.120 -0.000 0.000 0.282 345 V C 0.160 176.250 176.094 -0.007 0.000 1.031 345 V CA 0.518 62.815 62.300 -0.006 0.000 0.881 345 V CB 1.045 32.875 31.823 0.013 0.000 0.982 345 V HN 1.415 nan 8.190 nan 0.000 0.451 346 T N 1.935 116.485 114.554 -0.006 0.000 2.693 346 T HA 0.365 4.715 4.350 -0.000 0.000 0.278 346 T C 1.126 175.830 174.700 0.007 0.000 0.994 346 T CA 0.148 62.245 62.100 -0.005 0.000 1.033 346 T CB 1.160 70.015 68.868 -0.021 0.000 1.342 346 T HN 1.023 nan 8.240 nan 0.000 0.538 347 S N -0.291 115.412 115.700 0.004 0.000 2.507 347 S HA 0.034 4.504 4.470 -0.000 0.000 0.235 347 S C 1.861 176.466 174.600 0.008 0.000 0.988 347 S CA 0.326 58.534 58.200 0.013 0.000 0.944 347 S CB -0.986 62.212 63.200 -0.003 0.000 0.762 347 S HN 0.578 nan 8.310 nan 0.000 0.526 348 L N 1.214 122.436 121.223 -0.003 0.000 2.109 348 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 348 L C 2.115 178.988 176.870 0.005 0.000 1.086 348 L CA 1.362 56.200 54.840 -0.004 0.000 0.760 348 L CB -0.432 41.619 42.059 -0.013 0.000 0.910 348 L HN 0.321 nan 8.230 nan 0.000 0.437 349 D N -0.532 119.873 120.400 0.007 0.000 2.271 349 D HA 0.036 4.676 4.640 -0.000 0.000 0.206 349 D C 0.423 176.737 176.300 0.024 0.000 0.967 349 D CA 0.739 54.747 54.000 0.012 0.000 0.867 349 D CB 0.820 41.626 40.800 0.009 0.000 0.960 349 D HN 0.056 nan 8.370 nan 0.000 0.509 350 L N 0.785 122.027 121.223 0.032 0.000 2.514 350 L HA 0.272 4.612 4.340 -0.000 0.000 0.257 350 L C -2.269 174.640 176.870 0.066 0.000 1.101 350 L CA -1.626 53.243 54.840 0.048 0.000 0.911 350 L CB 2.060 44.148 42.059 0.050 0.000 1.162 350 L HN -0.330 nan 8.230 nan 0.000 0.477 351 P HA -0.175 nan 4.420 nan 0.000 0.216 351 P C 1.792 179.204 177.300 0.185 0.000 1.150 351 P CA 1.076 64.236 63.100 0.100 0.000 0.843 351 P CB 0.330 32.089 31.700 0.099 0.000 0.787 352 V N -0.687 119.344 119.914 0.195 0.000 2.546 352 V HA -0.230 3.890 4.120 -0.000 0.000 0.254 352 V C 2.029 178.309 176.094 0.310 0.000 1.076 352 V CA 1.605 64.075 62.300 0.283 0.000 1.087 352 V CB -1.136 30.774 31.823 0.146 0.000 0.674 352 V HN -0.011 nan 8.190 nan 0.000 0.470 353 L N 0.725 122.054 121.223 0.176 0.000 2.261 353 L HA -0.128 4.212 4.340 -0.000 0.000 0.216 353 L C 2.537 179.466 176.870 0.099 0.000 1.114 353 L CA 2.375 57.288 54.840 0.123 0.000 0.777 353 L CB -1.183 40.919 42.059 0.071 0.000 0.910 353 L HN 0.595 nan 8.230 nan 0.000 0.440 354 R N -2.448 118.091 120.500 0.065 0.000 2.280 354 R HA -0.153 4.187 4.340 -0.000 0.000 0.207 354 R C 1.708 177.903 176.300 -0.175 0.000 1.043 354 R CA 0.956 57.002 56.100 -0.090 0.000 1.006 354 R CB -0.590 29.601 30.300 -0.183 0.000 0.885 354 R HN 0.286 nan 8.270 nan 0.000 0.467 355 W N 0.453 121.762 121.300 0.014 0.000 2.525 355 W HA 0.244 4.904 4.660 -0.000 0.000 0.288 355 W C 1.532 178.060 176.519 0.015 0.000 1.200 355 W CA 0.061 57.416 57.345 0.018 0.000 1.349 355 W CB 0.034 29.511 29.460 0.029 0.000 1.102 355 W HN -0.077 nan 8.180 nan 0.000 0.558 356 L N 0.762 122.123 121.223 0.230 0.000 2.492 356 L HA 0.051 4.391 4.340 -0.000 0.000 0.223 356 L C 0.588 177.502 176.870 0.073 0.000 1.132 356 L CA 0.564 55.481 54.840 0.129 0.000 0.850 356 L CB -0.851 41.266 42.059 0.097 0.000 0.966 356 L HN -0.114 nan 8.230 nan 0.000 0.454 357 K N 1.462 121.894 120.400 0.054 0.000 3.278 357 K HA -0.141 4.179 4.320 -0.000 0.000 0.270 357 K C -0.651 175.965 176.600 0.028 0.000 0.955 357 K CA 0.827 57.127 56.287 0.021 0.000 0.723 357 K CB -1.733 30.772 32.500 0.008 0.000 1.382 357 K HN 0.357 nan 8.250 nan 0.000 0.461 358 L N -0.413 120.834 121.223 0.039 0.000 2.409 358 L HA 0.522 4.862 4.340 -0.000 0.000 0.262 358 L C 0.356 177.255 176.870 0.049 0.000 0.992 358 L CA -0.706 54.163 54.840 0.048 0.000 0.817 358 L CB 2.383 44.477 42.059 0.058 0.000 1.350 358 L HN 0.341 nan 8.230 nan 0.000 0.411 359 S N 1.071 116.802 115.700 0.053 0.000 2.671 359 S HA 0.992 5.462 4.470 -0.000 0.000 0.277 359 S C -1.191 173.428 174.600 0.032 0.000 1.165 359 S CA -0.403 57.817 58.200 0.034 0.000 0.822 359 S CB 2.528 65.731 63.200 0.005 0.000 1.150 359 S HN 0.952 nan 8.310 nan 0.000 0.479 360 A N 0.132 122.943 122.820 -0.014 0.000 2.594 360 A HA 0.825 5.145 4.320 -0.000 0.000 0.295 360 A C -1.334 176.186 177.584 -0.107 0.000 1.071 360 A CA -0.558 51.425 52.037 -0.090 0.000 0.685 360 A CB 1.649 20.563 19.000 -0.144 0.000 1.285 360 A HN 1.004 nan 8.150 nan 0.000 0.405 361 E N 0.914 121.022 120.200 -0.154 0.000 2.272 361 E HA 0.438 4.788 4.350 -0.000 0.000 0.269 361 E C -1.605 174.879 176.600 -0.193 0.000 0.877 361 E CA -0.535 55.793 56.400 -0.121 0.000 0.755 361 E CB 1.357 31.011 29.700 -0.078 0.000 1.192 361 E HN 0.776 nan 8.360 nan 0.000 0.422 362 H N 2.835 121.734 119.070 -0.285 0.000 2.481 362 H HA 0.575 5.131 4.556 -0.000 0.000 0.333 362 H C -1.042 174.012 175.328 -0.456 0.000 1.066 362 H CA -0.329 55.467 56.048 -0.421 0.000 1.209 362 H CB 1.559 31.164 29.762 -0.262 0.000 1.445 362 H HN 0.675 nan 8.280 nan 0.000 0.488 363 G N 1.991 109.976 108.800 -1.359 0.000 2.519 363 G HA2 0.385 4.345 3.960 -0.000 0.000 0.307 363 G HA3 0.385 4.345 3.960 -0.000 0.000 0.307 363 G C -1.395 173.045 174.900 -0.766 0.000 1.266 363 G CA -0.594 43.949 45.100 -0.928 0.000 0.970 363 G HN 0.492 nan 8.290 nan 0.000 0.481 364 S N 0.452 116.039 115.700 -0.188 0.000 2.672 364 S HA 0.619 5.089 4.470 -0.000 0.000 0.291 364 S C -0.765 173.922 174.600 0.145 0.000 1.145 364 S CA -0.618 57.572 58.200 -0.017 0.000 1.013 364 S CB 0.489 63.718 63.200 0.048 0.000 1.017 364 S HN 0.476 nan 8.310 nan 0.000 0.487 365 L N 5.391 126.754 121.223 0.233 0.000 2.322 365 L HA 0.543 4.883 4.340 -0.000 0.000 0.281 365 L C 0.427 177.457 176.870 0.266 0.000 1.014 365 L CA -0.921 54.036 54.840 0.195 0.000 0.815 365 L CB 1.456 43.624 42.059 0.182 0.000 1.247 365 L HN 0.726 nan 8.230 nan 0.000 0.421 366 H N 1.573 120.667 119.070 0.040 0.000 2.730 366 H HA 0.079 4.635 4.556 -0.000 0.000 0.376 366 H C -0.025 175.307 175.328 0.006 0.000 1.299 366 H CA -0.659 55.402 56.048 0.023 0.000 1.447 366 H CB 1.008 30.765 29.762 -0.009 0.000 1.493 366 H HN 0.410 nan 8.280 nan 0.000 0.619 367 K N 1.031 121.511 120.400 0.133 0.000 2.484 367 K HA -0.157 4.163 4.320 -0.000 0.000 0.280 367 K C -0.028 176.583 176.600 0.019 0.000 1.013 367 K CA 0.650 56.969 56.287 0.052 0.000 1.029 367 K CB 0.025 32.542 32.500 0.028 0.000 0.902 367 K HN 0.785 nan 8.250 nan 0.000 0.481 368 N N 0.151 118.835 118.700 -0.027 0.000 2.936 368 N HA -0.253 4.487 4.740 -0.000 0.000 0.236 368 N C -0.750 174.714 175.510 -0.076 0.000 0.930 368 N CA 0.552 53.570 53.050 -0.055 0.000 0.966 368 N CB -0.713 37.751 38.487 -0.038 0.000 1.090 368 N HN 0.637 nan 8.380 nan 0.000 0.592 369 A N 0.767 123.543 122.820 -0.073 0.000 2.287 369 A HA 0.768 5.088 4.320 -0.000 0.000 0.273 369 A C 0.330 177.813 177.584 -0.169 0.000 1.091 369 A CA -0.011 51.950 52.037 -0.126 0.000 0.817 369 A CB 0.498 19.410 19.000 -0.147 0.000 1.069 369 A HN 0.308 nan 8.150 nan 0.000 0.492 370 M N -0.164 119.310 119.600 -0.209 0.000 2.578 370 M HA 0.694 5.174 4.480 -0.000 0.000 0.276 370 M C -1.273 174.854 176.300 -0.289 0.000 1.245 370 M CA -0.730 54.389 55.300 -0.302 0.000 0.871 370 M CB 1.726 34.155 32.600 -0.285 0.000 1.722 370 M HN 0.631 nan 8.290 nan 0.000 0.473 371 F N 1.035 120.820 119.950 -0.275 0.000 2.385 371 F HA 0.695 5.222 4.527 -0.000 0.000 0.336 371 F C 0.131 175.684 175.800 -0.410 0.000 1.100 371 F CA -1.401 56.245 58.000 -0.590 0.000 1.116 371 F CB 0.064 38.484 39.000 -0.966 0.000 1.166 371 F HN 0.566 nan 8.300 nan 0.000 0.511 372 V N 0.129 119.959 119.914 -0.140 0.000 3.178 372 V HA 0.262 4.382 4.120 -0.000 0.000 0.306 372 V C -2.436 173.822 176.094 0.273 0.000 1.107 372 V CA -1.659 60.674 62.300 0.056 0.000 1.195 372 V CB -0.476 31.393 31.823 0.077 0.000 0.993 372 V HN 0.723 nan 8.190 nan 0.000 0.493 373 P HA 0.222 nan 4.420 nan 0.000 0.265 373 P C -0.500 176.985 177.300 0.308 0.000 1.193 373 P CA 0.731 63.962 63.100 0.218 0.000 0.765 373 P CB 0.082 31.858 31.700 0.128 0.000 0.823 374 H N 0.726 119.915 119.070 0.199 0.000 2.932 374 H HA 0.488 5.044 4.556 -0.000 0.000 0.307 374 H C -1.623 173.828 175.328 0.206 0.000 1.391 374 H CA -0.819 55.325 56.048 0.160 0.000 1.130 374 H CB 0.736 30.581 29.762 0.138 0.000 1.836 374 H HN 0.472 nan 8.280 nan 0.000 0.522 375 Y N -0.467 119.920 120.300 0.146 0.000 2.597 375 Y HA 0.494 5.044 4.550 -0.000 0.000 0.340 375 Y C -1.478 174.511 175.900 0.149 0.000 1.097 375 Y CA -1.231 56.911 58.100 0.069 0.000 1.037 375 Y CB 1.284 39.782 38.460 0.063 0.000 1.305 375 Y HN 0.551 nan 8.280 nan 0.000 0.463 376 N N 2.833 121.681 118.700 0.246 0.000 2.422 376 N HA 0.177 4.917 4.740 -0.000 0.000 0.266 376 N C 0.235 175.872 175.510 0.213 0.000 1.007 376 N CA -0.300 52.829 53.050 0.131 0.000 0.941 376 N CB 2.130 40.673 38.487 0.094 0.000 1.115 376 N HN 0.713 nan 8.380 nan 0.000 0.492 377 L N 2.652 123.944 121.223 0.114 0.000 1.989 377 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 377 L C 1.462 178.404 176.870 0.118 0.000 1.071 377 L CA 1.699 56.641 54.840 0.169 0.000 0.749 377 L CB -0.359 41.744 42.059 0.074 0.000 0.890 377 L HN 0.659 nan 8.230 nan 0.000 0.431 378 N N -1.763 116.976 118.700 0.064 0.000 2.299 378 N HA 0.476 5.216 4.740 -0.000 0.000 0.246 378 N C -0.410 175.116 175.510 0.026 0.000 1.254 378 N CA 0.440 53.513 53.050 0.038 0.000 0.879 378 N CB 0.705 39.202 38.487 0.017 0.000 1.214 378 N HN 0.121 nan 8.380 nan 0.000 0.510 379 A N -0.063 122.777 122.820 0.033 0.000 2.589 379 A HA 0.571 4.891 4.320 -0.000 0.000 0.296 379 A C -1.316 176.274 177.584 0.010 0.000 1.062 379 A CA -0.810 51.238 52.037 0.018 0.000 0.686 379 A CB 1.088 20.097 19.000 0.015 0.000 1.282 379 A HN 0.099 nan 8.150 nan 0.000 0.404 380 N N 0.679 119.373 118.700 -0.009 0.000 2.513 380 N HA 0.601 5.341 4.740 -0.000 0.000 0.274 380 N C -0.527 174.974 175.510 -0.015 0.000 1.189 380 N CA 0.122 53.151 53.050 -0.036 0.000 0.975 380 N CB 1.407 39.861 38.487 -0.055 0.000 1.157 380 N HN 0.534 nan 8.380 nan 0.000 0.465 381 S N 1.026 116.706 115.700 -0.034 0.000 2.557 381 S HA 0.520 4.990 4.470 -0.000 0.000 0.291 381 S C -0.393 174.197 174.600 -0.015 0.000 1.116 381 S CA -0.712 57.488 58.200 -0.001 0.000 0.992 381 S CB 1.274 64.476 63.200 0.004 0.000 1.028 381 S HN 0.280 nan 8.310 nan 0.000 0.484 382 I N 3.645 124.254 120.570 0.064 0.000 2.359 382 I HA 0.354 4.524 4.170 -0.000 0.000 0.284 382 I C -0.440 175.761 176.117 0.140 0.000 1.018 382 I CA -0.366 60.981 61.300 0.078 0.000 1.173 382 I CB 0.646 38.741 38.000 0.157 0.000 1.326 382 I HN 0.588 nan 8.210 nan 0.000 0.462 383 I N 6.878 127.479 120.570 0.053 0.000 2.337 383 I HA 0.111 4.281 4.170 -0.000 0.000 0.291 383 I C -0.544 175.657 176.117 0.140 0.000 1.046 383 I CA -0.517 60.827 61.300 0.073 0.000 1.324 383 I CB 0.510 38.498 38.000 -0.020 0.000 1.409 383 I HN 0.430 nan 8.210 nan 0.000 0.494 384 Y N 6.914 127.249 120.300 0.058 0.000 2.331 384 Y HA 0.618 5.168 4.550 -0.000 0.000 0.338 384 Y C 0.080 176.029 175.900 0.081 0.000 0.976 384 Y CA -0.991 57.157 58.100 0.079 0.000 1.137 384 Y CB 1.283 39.821 38.460 0.129 0.000 1.172 384 Y HN 0.623 nan 8.280 nan 0.000 0.478 385 A N 7.487 130.039 122.820 -0.447 0.000 2.404 385 A HA 0.316 4.636 4.320 -0.000 0.000 0.273 385 A C 0.185 177.447 177.584 -0.535 0.000 1.144 385 A CA -0.285 51.537 52.037 -0.358 0.000 0.806 385 A CB 0.015 18.985 19.000 -0.050 0.000 1.080 385 A HN 1.098 nan 8.150 nan 0.000 0.509 386 L N 1.517 122.548 121.223 -0.320 0.000 2.121 386 L HA 0.184 4.524 4.340 -0.000 0.000 0.200 386 L C 1.146 177.985 176.870 -0.053 0.000 1.077 386 L CA 1.170 55.955 54.840 -0.092 0.000 0.766 386 L CB -0.110 41.979 42.059 0.050 0.000 0.931 386 L HN 0.796 nan 8.230 nan 0.000 0.452 387 K N -0.491 119.843 120.400 -0.111 0.000 2.464 387 K HA 0.562 4.882 4.320 -0.000 0.000 0.253 387 K C -0.354 176.257 176.600 0.018 0.000 0.933 387 K CA 0.062 56.339 56.287 -0.017 0.000 0.801 387 K CB 2.140 34.654 32.500 0.024 0.000 1.271 387 K HN 0.171 nan 8.250 nan 0.000 0.430 388 G N 2.000 110.877 108.800 0.128 0.000 2.660 388 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.215 388 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.215 388 G C -1.309 173.817 174.900 0.377 0.000 1.345 388 G CA -0.415 44.833 45.100 0.246 0.000 0.877 388 G HN 0.741 nan 8.290 nan 0.000 0.549 389 R N -0.726 119.981 120.500 0.345 0.000 2.808 389 R HA 0.844 5.184 4.340 -0.000 0.000 0.272 389 R C -0.111 175.997 176.300 -0.319 0.000 0.995 389 R CA -0.113 56.059 56.100 0.120 0.000 0.917 389 R CB 2.150 32.473 30.300 0.038 0.000 1.217 389 R HN 1.760 nan 8.270 nan 0.000 0.471 390 A N 0.972 123.420 122.820 -0.620 0.000 2.572 390 A HA 0.573 4.893 4.320 -0.000 0.000 0.295 390 A C -1.337 175.996 177.584 -0.418 0.000 1.072 390 A CA -0.778 50.765 52.037 -0.822 0.000 0.691 390 A CB 1.839 19.762 19.000 -1.794 0.000 1.291 390 A HN 0.436 nan 8.150 nan 0.000 0.404 391 R N 1.236 121.538 120.500 -0.330 0.000 2.216 391 R HA 0.517 4.857 4.340 -0.000 0.000 0.332 391 R C -1.740 174.449 176.300 -0.185 0.000 1.056 391 R CA -0.244 55.733 56.100 -0.204 0.000 0.901 391 R CB -0.003 30.190 30.300 -0.179 0.000 1.039 391 R HN 0.599 nan 8.270 nan 0.000 0.456 392 L N 3.836 125.035 121.223 -0.039 0.000 2.346 392 L HA 0.405 4.745 4.340 -0.000 0.000 0.276 392 L C -0.271 176.691 176.870 0.152 0.000 1.006 392 L CA -0.283 54.596 54.840 0.066 0.000 0.817 392 L CB 2.102 44.263 42.059 0.171 0.000 1.272 392 L HN 0.466 nan 8.230 nan 0.000 0.421 393 Q N 2.946 122.804 119.800 0.096 0.000 2.337 393 Q HA 0.739 5.079 4.340 -0.000 0.000 0.270 393 Q C -1.313 174.768 176.000 0.135 0.000 1.043 393 Q CA -0.791 55.073 55.803 0.101 0.000 0.794 393 Q CB 3.325 32.069 28.738 0.011 0.000 1.281 393 Q HN 0.452 nan 8.270 nan 0.000 0.446 394 V N 1.009 121.029 119.914 0.178 0.000 2.709 394 V HA 0.820 4.940 4.120 -0.000 0.000 0.308 394 V C -1.377 174.786 176.094 0.115 0.000 1.062 394 V CA -0.603 61.784 62.300 0.145 0.000 0.901 394 V CB 1.947 33.867 31.823 0.162 0.000 1.003 394 V HN 0.610 nan 8.190 nan 0.000 0.425 395 V N 6.448 126.396 119.914 0.055 0.000 2.823 395 V HA 0.722 4.842 4.120 -0.000 0.000 0.312 395 V C -0.244 175.714 176.094 -0.228 0.000 1.072 395 V CA -0.229 62.045 62.300 -0.043 0.000 0.937 395 V CB 2.012 33.808 31.823 -0.045 0.000 1.013 395 V HN 1.303 nan 8.190 nan 0.000 0.430 396 N N 4.230 122.689 118.700 -0.401 0.000 2.452 396 N HA 0.154 4.894 4.740 -0.000 0.000 0.296 396 N C 1.239 176.449 175.510 -0.499 0.000 1.304 396 N CA 0.335 52.865 53.050 -0.867 0.000 0.956 396 N CB -0.176 37.845 38.487 -0.776 0.000 1.106 396 N HN 1.020 nan 8.380 nan 0.000 0.555 397 C N -2.705 116.331 119.300 -0.441 0.000 2.522 397 C HA 0.300 4.760 4.460 -0.000 0.000 0.271 397 C C 0.810 175.705 174.990 -0.158 0.000 1.425 397 C CA -0.346 58.527 59.018 -0.241 0.000 1.751 397 C CB -2.016 25.619 27.740 -0.175 0.000 1.775 397 C HN 0.651 nan 8.230 nan 0.000 0.557 398 N N 0.426 119.034 118.700 -0.153 0.000 2.236 398 N HA 0.367 5.107 4.740 -0.000 0.000 0.196 398 N C 1.341 176.803 175.510 -0.081 0.000 1.114 398 N CA 0.644 53.636 53.050 -0.097 0.000 0.859 398 N CB 0.414 38.855 38.487 -0.078 0.000 0.982 398 N HN 0.667 nan 8.380 nan 0.000 0.493 399 G N 0.772 109.515 108.800 -0.095 0.000 2.159 399 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.256 399 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.256 399 G C -0.360 174.504 174.900 -0.060 0.000 0.977 399 G CA -0.289 44.771 45.100 -0.067 0.000 0.652 399 G HN 0.399 nan 8.290 nan 0.000 0.531 400 N N 0.666 119.320 118.700 -0.076 0.000 2.514 400 N HA 0.446 5.186 4.740 -0.000 0.000 0.277 400 N C -0.083 175.401 175.510 -0.044 0.000 1.126 400 N CA 0.121 53.139 53.050 -0.055 0.000 0.978 400 N CB 0.639 39.096 38.487 -0.050 0.000 1.106 400 N HN 0.072 nan 8.380 nan 0.000 0.461 401 T N 1.467 116.007 114.554 -0.023 0.000 2.863 401 T HA 0.076 4.426 4.350 -0.000 0.000 0.299 401 T C 1.597 176.313 174.700 0.025 0.000 0.973 401 T CA -0.527 61.571 62.100 -0.004 0.000 0.994 401 T CB 0.121 68.975 68.868 -0.023 0.000 0.961 401 T HN 0.426 nan 8.240 nan 0.000 0.552 402 V N 0.606 120.563 119.914 0.073 0.000 3.461 402 V HA 0.429 4.549 4.120 -0.000 0.000 0.267 402 V C 0.145 176.369 176.094 0.217 0.000 1.186 402 V CA 0.258 62.633 62.300 0.124 0.000 1.154 402 V CB -0.876 31.047 31.823 0.166 0.000 0.802 402 V HN 0.613 nan 8.190 nan 0.000 0.474 403 F N 0.949 120.908 119.950 0.015 0.000 2.605 403 F HA 0.661 5.188 4.527 -0.000 0.000 0.320 403 F C -1.762 174.029 175.800 -0.014 0.000 1.159 403 F CA -1.040 56.961 58.000 0.003 0.000 0.999 403 F CB 1.873 40.876 39.000 0.005 0.000 1.258 403 F HN 0.031 nan 8.300 nan 0.000 0.464 404 D N 4.225 124.227 120.400 -0.664 0.000 2.386 404 D HA 0.644 5.284 4.640 -0.000 0.000 0.247 404 D C -0.369 175.502 176.300 -0.714 0.000 1.336 404 D CA 0.389 54.079 54.000 -0.516 0.000 0.976 404 D CB 1.201 41.853 40.800 -0.248 0.000 1.257 404 D HN 0.998 nan 8.370 nan 0.000 0.570 405 G N 2.113 110.448 108.800 -0.775 0.000 2.335 405 G HA2 0.283 4.243 3.960 -0.000 0.000 0.291 405 G HA3 0.283 4.243 3.960 -0.000 0.000 0.291 405 G C -1.479 173.308 174.900 -0.189 0.000 1.261 405 G CA -0.808 43.971 45.100 -0.536 0.000 0.871 405 G HN 0.349 nan 8.290 nan 0.000 0.491 406 E N -0.691 119.496 120.200 -0.021 0.000 2.216 406 E HA 0.590 4.940 4.350 -0.000 0.000 0.279 406 E C -1.323 175.389 176.600 0.188 0.000 0.997 406 E CA -0.722 55.710 56.400 0.054 0.000 0.817 406 E CB 1.566 31.272 29.700 0.011 0.000 1.096 406 E HN 0.404 nan 8.360 nan 0.000 0.393 407 L N 5.208 126.489 121.223 0.097 0.000 2.324 407 L HA 0.269 4.609 4.340 -0.000 0.000 0.274 407 L C -0.760 176.207 176.870 0.162 0.000 1.012 407 L CA -0.235 54.679 54.840 0.125 0.000 0.859 407 L CB 1.054 43.170 42.059 0.094 0.000 1.224 407 L HN 0.576 nan 8.230 nan 0.000 0.429 408 E N 4.033 124.329 120.200 0.160 0.000 2.248 408 E HA 0.699 5.049 4.350 -0.000 0.000 0.272 408 E C -0.274 176.410 176.600 0.139 0.000 1.008 408 E CA -0.975 55.527 56.400 0.171 0.000 0.856 408 E CB 1.325 31.096 29.700 0.118 0.000 1.120 408 E HN 0.700 nan 8.360 nan 0.000 0.397 409 A N 1.567 124.456 122.820 0.115 0.000 2.603 409 A HA 0.303 4.623 4.320 -0.000 0.000 0.235 409 A C 1.322 178.907 177.584 0.001 0.000 1.035 409 A CA 0.932 52.969 52.037 -0.001 0.000 0.755 409 A CB -0.991 18.026 19.000 0.028 0.000 0.954 409 A HN 1.349 nan 8.150 nan 0.000 0.511 410 G N 1.952 110.674 108.800 -0.130 0.000 2.175 410 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 410 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 410 G C 0.327 175.416 174.900 0.314 0.000 0.982 410 G CA 0.525 45.701 45.100 0.126 0.000 0.641 410 G HN 0.972 nan 8.290 nan 0.000 0.527 411 R N 0.011 120.601 120.500 0.151 0.000 2.873 411 R HA 0.812 5.152 4.340 -0.000 0.000 0.264 411 R C -0.234 176.228 176.300 0.271 0.000 1.026 411 R CA -0.094 56.210 56.100 0.339 0.000 1.002 411 R CB 1.851 32.294 30.300 0.238 0.000 1.174 411 R HN 0.592 nan 8.270 nan 0.000 0.488 412 A N 1.589 124.610 122.820 0.336 0.000 2.355 412 A HA 0.602 4.922 4.320 -0.000 0.000 0.317 412 A C -1.545 176.034 177.584 -0.008 0.000 1.094 412 A CA -0.595 51.531 52.037 0.147 0.000 0.764 412 A CB 1.360 20.357 19.000 -0.006 0.000 1.230 412 A HN 0.463 nan 8.150 nan 0.000 0.448 413 L N 1.512 122.673 121.223 -0.105 0.000 2.362 413 L HA 0.647 4.987 4.340 -0.000 0.000 0.275 413 L C -0.041 176.674 176.870 -0.259 0.000 0.998 413 L CA 0.239 54.923 54.840 -0.261 0.000 0.820 413 L CB 2.115 43.956 42.059 -0.362 0.000 1.270 413 L HN 0.620 nan 8.230 nan 0.000 0.415 414 T N 4.255 118.606 114.554 -0.338 0.000 2.780 414 T HA 0.513 4.863 4.350 -0.000 0.000 0.294 414 T C -0.653 173.898 174.700 -0.248 0.000 0.949 414 T CA -0.126 61.780 62.100 -0.324 0.000 1.074 414 T CB 0.587 69.192 68.868 -0.439 0.000 0.910 414 T HN 0.378 nan 8.240 nan 0.000 0.501 415 V N 8.632 128.431 119.914 -0.192 0.000 2.305 415 V HA 0.298 4.418 4.120 -0.000 0.000 0.275 415 V C -2.246 173.727 176.094 -0.203 0.000 1.020 415 V CA -2.038 60.167 62.300 -0.159 0.000 0.811 415 V CB 1.242 33.020 31.823 -0.076 0.000 1.031 415 V HN 0.702 nan 8.190 nan 0.000 0.439 416 P HA 0.020 nan 4.420 nan 0.000 0.266 416 P C -0.035 177.116 177.300 -0.248 0.000 1.195 416 P CA 0.022 62.833 63.100 -0.481 0.000 0.768 416 P CB 0.410 31.439 31.700 -1.119 0.000 0.838 417 Q N 3.494 123.229 119.800 -0.108 0.000 2.348 417 Q HA -0.230 4.110 4.340 -0.000 0.000 0.331 417 Q C 0.379 176.454 176.000 0.125 0.000 1.099 417 Q CA 1.245 57.064 55.803 0.027 0.000 1.021 417 Q CB -0.533 28.221 28.738 0.027 0.000 1.166 417 Q HN 0.531 nan 8.270 nan 0.000 0.393 418 N N 0.690 119.512 118.700 0.203 0.000 2.924 418 N HA -0.263 4.477 4.740 -0.000 0.000 0.210 418 N C -0.932 174.672 175.510 0.157 0.000 0.902 418 N CA 0.991 54.136 53.050 0.157 0.000 1.061 418 N CB -1.006 37.508 38.487 0.045 0.000 0.985 418 N HN 0.513 nan 8.380 nan 0.000 0.600 419 Y N 1.312 121.604 120.300 -0.014 0.000 2.597 419 Y HA 0.328 4.878 4.550 -0.000 0.000 0.336 419 Y C 0.958 176.870 175.900 0.020 0.000 1.216 419 Y CA -0.007 58.082 58.100 -0.018 0.000 1.463 419 Y CB 0.269 38.720 38.460 -0.015 0.000 1.303 419 Y HN 0.127 nan 8.280 nan 0.000 0.576 420 A N 2.844 125.738 122.820 0.124 0.000 2.293 420 A HA 0.707 5.027 4.320 -0.000 0.000 0.302 420 A C -0.858 176.757 177.584 0.052 0.000 1.119 420 A CA -0.609 51.488 52.037 0.100 0.000 0.823 420 A CB 1.149 20.203 19.000 0.090 0.000 1.097 420 A HN 0.614 nan 8.150 nan 0.000 0.491 421 V N 0.294 120.185 119.914 -0.039 0.000 2.932 421 V HA 0.792 4.912 4.120 -0.000 0.000 0.307 421 V C -0.507 175.633 176.094 0.076 0.000 1.147 421 V CA 0.336 62.635 62.300 -0.001 0.000 0.951 421 V CB 1.913 33.722 31.823 -0.023 0.000 1.031 421 V HN 1.867 nan 8.190 nan 0.000 0.426 422 A N 4.357 127.263 122.820 0.142 0.000 2.539 422 A HA 1.065 5.385 4.320 -0.000 0.000 0.296 422 A C -0.778 176.721 177.584 -0.142 0.000 1.073 422 A CA -0.126 51.998 52.037 0.147 0.000 0.700 422 A CB 2.053 21.083 19.000 0.050 0.000 1.296 422 A HN 2.180 nan 8.150 nan 0.000 0.405 423 A N 0.936 123.367 122.820 -0.648 0.000 2.449 423 A HA 0.799 5.119 4.320 -0.000 0.000 0.302 423 A C -0.753 176.453 177.584 -0.631 0.000 1.048 423 A CA -0.559 51.034 52.037 -0.740 0.000 0.708 423 A CB 1.432 19.771 19.000 -1.100 0.000 1.274 423 A HN 0.855 nan 8.150 nan 0.000 0.410 424 K N 1.382 121.521 120.400 -0.436 0.000 2.463 424 K HA 0.494 4.814 4.320 -0.000 0.000 0.255 424 K C -0.411 175.989 176.600 -0.333 0.000 0.942 424 K CA -0.239 55.850 56.287 -0.331 0.000 0.814 424 K CB 1.586 33.950 32.500 -0.226 0.000 1.122 424 K HN 0.727 nan 8.250 nan 0.000 0.425 425 S N 4.155 119.697 115.700 -0.264 0.000 2.533 425 S HA 0.150 4.620 4.470 -0.000 0.000 0.282 425 S C 0.788 175.301 174.600 -0.144 0.000 1.304 425 S CA -0.382 57.690 58.200 -0.215 0.000 1.063 425 S CB 0.258 63.454 63.200 -0.007 0.000 0.881 425 S HN 0.666 nan 8.310 nan 0.000 0.493 426 L N 3.857 124.990 121.223 -0.150 0.000 2.667 426 L HA 0.282 4.622 4.340 -0.000 0.000 0.232 426 L C 0.331 177.189 176.870 -0.019 0.000 1.138 426 L CA -0.108 54.681 54.840 -0.084 0.000 0.921 426 L CB 0.203 42.204 42.059 -0.097 0.000 1.180 426 L HN 0.472 nan 8.230 nan 0.000 0.487 427 S N -1.526 114.188 115.700 0.023 0.000 2.632 427 S HA 0.147 4.617 4.470 -0.000 0.000 0.289 427 S C 0.511 175.154 174.600 0.073 0.000 1.115 427 S CA -0.724 57.514 58.200 0.063 0.000 0.889 427 S CB 2.489 65.757 63.200 0.114 0.000 1.116 427 S HN 0.099 nan 8.310 nan 0.000 0.486 428 D N 0.299 120.731 120.400 0.053 0.000 2.133 428 D HA -0.130 4.510 4.640 -0.000 0.000 0.192 428 D C 0.316 176.649 176.300 0.054 0.000 1.001 428 D CA 1.514 55.534 54.000 0.032 0.000 0.844 428 D CB 0.291 41.098 40.800 0.012 0.000 0.944 428 D HN 0.142 nan 8.370 nan 0.000 0.447 429 R N -1.187 119.367 120.500 0.090 0.000 2.575 429 R HA 0.349 4.689 4.340 -0.000 0.000 0.293 429 R C -1.426 174.999 176.300 0.207 0.000 0.983 429 R CA -0.658 55.521 56.100 0.132 0.000 0.887 429 R CB 1.104 31.454 30.300 0.084 0.000 1.184 429 R HN -0.085 nan 8.270 nan 0.000 0.445 430 F N 2.808 122.802 119.950 0.075 0.000 2.467 430 F HA 0.642 5.169 4.527 -0.000 0.000 0.336 430 F C -0.651 175.207 175.800 0.098 0.000 1.123 430 F CA -0.292 57.754 58.000 0.077 0.000 0.964 430 F CB 1.510 40.547 39.000 0.061 0.000 1.136 430 F HN 0.575 nan 8.300 nan 0.000 0.447 431 S N 5.609 120.953 115.700 -0.595 0.000 2.570 431 S HA 0.860 5.330 4.470 -0.000 0.000 0.286 431 S C -1.457 172.723 174.600 -0.701 0.000 1.099 431 S CA -0.550 57.326 58.200 -0.540 0.000 0.913 431 S CB 2.059 65.112 63.200 -0.245 0.000 1.085 431 S HN 0.864 nan 8.310 nan 0.000 0.480 432 Y N -1.308 118.600 120.300 -0.653 0.000 2.592 432 Y HA 0.785 5.335 4.550 -0.000 0.000 0.334 432 Y C -1.563 174.079 175.900 -0.430 0.000 1.136 432 Y CA -1.448 56.363 58.100 -0.482 0.000 1.042 432 Y CB 0.916 39.169 38.460 -0.344 0.000 1.325 432 Y HN 0.688 nan 8.280 nan 0.000 0.457 433 V N 2.512 122.272 119.914 -0.257 0.000 2.417 433 V HA 0.901 5.021 4.120 -0.000 0.000 0.291 433 V C -0.666 175.246 176.094 -0.304 0.000 1.024 433 V CA -0.364 61.630 62.300 -0.509 0.000 0.861 433 V CB 0.819 31.966 31.823 -1.125 0.000 0.985 433 V HN 1.274 nan 8.190 nan 0.000 0.436 434 A N 7.071 129.757 122.820 -0.223 0.000 2.258 434 A HA 0.779 5.099 4.320 -0.000 0.000 0.316 434 A C -0.806 176.622 177.584 -0.261 0.000 1.279 434 A CA -0.410 51.565 52.037 -0.103 0.000 0.876 434 A CB 0.194 19.250 19.000 0.095 0.000 1.170 434 A HN 0.743 nan 8.150 nan 0.000 0.520 435 F N 1.835 121.781 119.950 -0.006 0.000 2.410 435 F HA 0.450 4.977 4.527 -0.000 0.000 0.348 435 F C 0.762 176.550 175.800 -0.020 0.000 1.106 435 F CA 0.359 58.345 58.000 -0.023 0.000 1.163 435 F CB 1.414 40.391 39.000 -0.037 0.000 1.129 435 F HN 0.431 nan 8.300 nan 0.000 0.516 436 K N 0.461 120.949 120.400 0.146 0.000 2.422 436 K HA 0.336 4.656 4.320 -0.000 0.000 0.251 436 K C -0.270 176.366 176.600 0.061 0.000 0.933 436 K CA -0.866 55.466 56.287 0.075 0.000 0.798 436 K CB 1.925 34.445 32.500 0.032 0.000 1.238 436 K HN 0.603 nan 8.250 nan 0.000 0.428 437 T N -0.331 114.244 114.554 0.036 0.000 3.843 437 T HA 0.166 4.516 4.350 -0.000 0.000 0.227 437 T C -0.026 174.682 174.700 0.014 0.000 1.043 437 T CA -0.488 61.625 62.100 0.022 0.000 1.012 437 T CB -0.719 68.154 68.868 0.007 0.000 1.279 437 T HN 0.486 nan 8.240 nan 0.000 0.730 438 N N 1.203 119.912 118.700 0.016 0.000 2.846 438 N HA 0.016 4.756 4.740 -0.000 0.000 0.248 438 N C -0.222 175.290 175.510 0.003 0.000 1.097 438 N CA -0.334 52.718 53.050 0.005 0.000 1.013 438 N CB 1.908 40.394 38.487 -0.001 0.000 1.686 438 N HN 0.379 nan 8.380 nan 0.000 0.520 439 D N 1.342 121.740 120.400 -0.003 0.000 2.269 439 D HA -0.065 4.575 4.640 -0.000 0.000 0.208 439 D C -0.044 176.246 176.300 -0.016 0.000 0.963 439 D CA 0.788 54.786 54.000 -0.003 0.000 0.864 439 D CB 0.399 41.197 40.800 -0.004 0.000 0.936 439 D HN 0.302 nan 8.370 nan 0.000 0.505 440 R N 0.848 121.334 120.500 -0.024 0.000 2.903 440 R HA 0.440 4.780 4.340 -0.000 0.000 0.363 440 R C -0.258 176.021 176.300 -0.035 0.000 1.161 440 R CA -0.564 55.517 56.100 -0.032 0.000 1.109 440 R CB 0.594 30.872 30.300 -0.036 0.000 1.399 440 R HN 0.087 nan 8.270 nan 0.000 0.587 441 A N 0.732 123.532 122.820 -0.032 0.000 2.561 441 A HA 0.345 4.665 4.320 -0.000 0.000 0.251 441 A C 0.696 178.244 177.584 -0.060 0.000 1.062 441 A CA 0.591 52.608 52.037 -0.034 0.000 0.761 441 A CB 0.088 19.071 19.000 -0.028 0.000 0.986 441 A HN 0.416 nan 8.150 nan 0.000 0.510 442 G N 1.726 110.491 108.800 -0.058 0.000 2.379 442 G HA2 0.557 4.517 3.960 -0.000 0.000 0.327 442 G HA3 0.557 4.517 3.960 -0.000 0.000 0.327 442 G C -0.106 174.726 174.900 -0.114 0.000 1.145 442 G CA -0.543 44.504 45.100 -0.088 0.000 0.905 442 G HN 1.257 nan 8.290 nan 0.000 0.466 443 I N 0.517 120.981 120.570 -0.176 0.000 2.460 443 I HA 0.851 5.021 4.170 -0.000 0.000 0.298 443 I C -0.102 175.856 176.117 -0.265 0.000 0.989 443 I CA -1.192 59.979 61.300 -0.214 0.000 1.173 443 I CB 2.379 40.202 38.000 -0.294 0.000 1.338 443 I HN 0.501 nan 8.210 nan 0.000 0.456 444 A N 6.555 129.131 122.820 -0.406 0.000 2.273 444 A HA 0.597 4.917 4.320 -0.000 0.000 0.315 444 A C -0.248 177.203 177.584 -0.221 0.000 1.256 444 A CA -0.775 51.015 52.037 -0.411 0.000 0.851 444 A CB 0.571 19.116 19.000 -0.759 0.000 1.172 444 A HN 0.857 nan 8.150 nan 0.000 0.508 445 R N 2.208 122.680 120.500 -0.046 0.000 2.298 445 R HA 0.235 4.575 4.340 -0.000 0.000 0.310 445 R C 0.286 176.662 176.300 0.126 0.000 1.068 445 R CA -0.699 55.468 56.100 0.112 0.000 0.957 445 R CB 0.663 31.047 30.300 0.140 0.000 1.003 445 R HN 0.625 nan 8.270 nan 0.000 0.454 446 L N 2.101 123.436 121.223 0.186 0.000 2.240 446 L HA 0.125 4.465 4.340 -0.000 0.000 0.211 446 L C 0.784 177.727 176.870 0.121 0.000 1.106 446 L CA 1.246 56.190 54.840 0.174 0.000 0.793 446 L CB -0.748 41.426 42.059 0.192 0.000 0.927 446 L HN 0.756 nan 8.230 nan 0.000 0.446 447 A N -2.658 120.235 122.820 0.121 0.000 2.504 447 A HA 0.780 5.100 4.320 -0.000 0.000 0.285 447 A C 0.177 177.821 177.584 0.099 0.000 1.261 447 A CA -0.046 52.041 52.037 0.083 0.000 0.741 447 A CB 0.709 19.746 19.000 0.061 0.000 1.327 447 A HN 0.381 nan 8.150 nan 0.000 0.441 448 G N -1.396 107.452 108.800 0.080 0.000 2.757 448 G HA2 0.060 4.020 3.960 -0.000 0.000 0.638 448 G HA3 0.060 4.020 3.960 -0.000 0.000 0.638 448 G C 0.686 175.628 174.900 0.070 0.000 1.344 448 G CA 0.549 45.707 45.100 0.097 0.000 0.855 448 G HN 1.499 nan 8.290 nan 0.000 0.537 449 T N -0.265 114.329 114.554 0.067 0.000 2.803 449 T HA 0.026 4.376 4.350 -0.000 0.000 0.269 449 T C 2.108 176.828 174.700 0.033 0.000 1.052 449 T CA 2.364 64.484 62.100 0.033 0.000 1.136 449 T CB -0.241 68.642 68.868 0.025 0.000 0.864 449 T HN 0.737 nan 8.240 nan 0.000 0.467 450 S N 1.429 117.157 115.700 0.045 0.000 2.562 450 S HA 0.252 4.722 4.470 -0.000 0.000 0.246 450 S C 0.441 175.063 174.600 0.036 0.000 1.056 450 S CA -0.552 57.666 58.200 0.030 0.000 1.042 450 S CB 0.180 63.390 63.200 0.016 0.000 0.822 450 S HN 0.637 nan 8.310 nan 0.000 0.465 451 S N 0.245 115.976 115.700 0.050 0.000 2.589 451 S HA 0.222 4.692 4.470 -0.000 0.000 0.265 451 S C 1.579 176.217 174.600 0.063 0.000 1.342 451 S CA -0.681 57.557 58.200 0.064 0.000 1.005 451 S CB 0.610 63.851 63.200 0.068 0.000 0.909 451 S HN 0.060 nan 8.310 nan 0.000 0.555 452 V N 2.027 121.990 119.914 0.083 0.000 2.282 452 V HA -0.204 3.915 4.120 -0.000 0.000 0.249 452 V C 2.348 178.505 176.094 0.105 0.000 1.057 452 V CA 2.158 64.517 62.300 0.100 0.000 1.032 452 V CB -1.088 30.824 31.823 0.149 0.000 0.645 452 V HN 0.847 nan 8.190 nan 0.000 0.447 453 I N 0.546 121.186 120.570 0.116 0.000 2.151 453 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 453 I C 2.132 178.299 176.117 0.083 0.000 1.080 453 I CA 2.030 63.403 61.300 0.121 0.000 1.339 453 I CB -0.763 37.284 38.000 0.077 0.000 1.039 453 I HN 0.358 nan 8.210 nan 0.000 0.409 454 N N 0.280 119.014 118.700 0.057 0.000 2.149 454 N HA -0.204 4.536 4.740 -0.000 0.000 0.188 454 N C 1.277 176.811 175.510 0.040 0.000 1.019 454 N CA 1.576 54.651 53.050 0.040 0.000 0.857 454 N CB -0.270 38.235 38.487 0.029 0.000 0.997 454 N HN 0.446 nan 8.380 nan 0.000 0.426 455 N N -0.470 118.257 118.700 0.046 0.000 2.412 455 N HA 0.120 4.860 4.740 -0.000 0.000 0.184 455 N C -0.552 174.983 175.510 0.043 0.000 1.101 455 N CA 0.054 53.127 53.050 0.038 0.000 0.881 455 N CB 0.334 38.842 38.487 0.035 0.000 0.969 455 N HN 0.133 nan 8.380 nan 0.000 0.459 456 L N 1.391 122.648 121.223 0.057 0.000 2.397 456 L HA 0.316 4.656 4.340 -0.000 0.000 0.271 456 L C -2.051 174.847 176.870 0.047 0.000 1.148 456 L CA -1.982 52.892 54.840 0.056 0.000 0.825 456 L CB 0.365 42.473 42.059 0.081 0.000 1.117 456 L HN -0.202 nan 8.230 nan 0.000 0.456 457 P HA -0.065 nan 4.420 nan 0.000 0.267 457 P C 0.477 177.800 177.300 0.039 0.000 1.200 457 P CA -0.269 62.849 63.100 0.030 0.000 0.772 457 P CB 0.610 32.323 31.700 0.021 0.000 0.855 458 L N 3.206 124.450 121.223 0.034 0.000 2.013 458 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 458 L C 1.742 178.638 176.870 0.043 0.000 1.073 458 L CA 2.173 57.037 54.840 0.039 0.000 0.753 458 L CB -1.216 40.860 42.059 0.028 0.000 0.890 458 L HN 0.329 nan 8.230 nan 0.000 0.432 459 D N -1.395 119.024 120.400 0.030 0.000 2.144 459 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 459 D C 2.329 178.645 176.300 0.027 0.000 0.984 459 D CA 1.443 55.459 54.000 0.026 0.000 0.834 459 D CB -0.077 40.733 40.800 0.016 0.000 0.955 459 D HN 0.309 nan 8.370 nan 0.000 0.465 460 V N -0.752 119.176 119.914 0.024 0.000 2.548 460 V HA -0.121 3.999 4.120 -0.000 0.000 0.249 460 V C 2.143 178.252 176.094 0.026 0.000 1.055 460 V CA 1.323 63.629 62.300 0.010 0.000 1.065 460 V CB -0.336 31.486 31.823 -0.002 0.000 0.681 460 V HN 0.077 nan 8.190 nan 0.000 0.462 461 V N 1.264 121.228 119.914 0.084 0.000 2.287 461 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 461 V C 3.087 179.313 176.094 0.221 0.000 1.053 461 V CA 2.465 64.884 62.300 0.199 0.000 1.027 461 V CB -1.453 30.491 31.823 0.201 0.000 0.646 461 V HN 0.712 nan 8.190 nan 0.000 0.447 462 A N -0.261 122.635 122.820 0.126 0.000 1.873 462 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 462 A C 2.411 180.040 177.584 0.075 0.000 1.186 462 A CA 2.050 54.151 52.037 0.107 0.000 0.616 462 A CB -0.782 18.256 19.000 0.063 0.000 0.823 462 A HN 0.570 nan 8.150 nan 0.000 0.442 463 A N -1.061 121.776 122.820 0.029 0.000 1.898 463 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 463 A C 2.298 179.848 177.584 -0.056 0.000 1.181 463 A CA 2.238 54.270 52.037 -0.008 0.000 0.620 463 A CB -1.317 17.672 19.000 -0.019 0.000 0.819 463 A HN 0.418 nan 8.150 nan 0.000 0.442 464 T N -0.343 114.134 114.554 -0.129 0.000 2.635 464 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 464 T C 1.101 175.553 174.700 -0.413 0.000 1.040 464 T CA 1.942 63.827 62.100 -0.358 0.000 1.156 464 T CB -0.426 68.066 68.868 -0.628 0.000 0.863 464 T HN 0.459 nan 8.240 nan 0.000 0.430 465 F N 0.852 120.804 119.950 0.003 0.000 2.693 465 F HA 0.386 4.913 4.527 -0.000 0.000 0.303 465 F C 0.899 176.699 175.800 0.000 0.000 1.097 465 F CA -0.722 57.279 58.000 0.002 0.000 1.330 465 F CB -0.629 38.373 39.000 0.004 0.000 1.067 465 F HN 0.038 nan 8.300 nan 0.000 0.565 466 N N 1.947 120.717 118.700 0.117 0.000 2.641 466 N HA -0.211 4.529 4.740 -0.000 0.000 0.267 466 N C -1.414 174.149 175.510 0.089 0.000 1.087 466 N CA 0.377 53.473 53.050 0.077 0.000 0.731 466 N CB -1.119 37.399 38.487 0.051 0.000 0.886 466 N HN 0.365 nan 8.380 nan 0.000 0.547 467 L N 0.755 122.034 121.223 0.093 0.000 2.371 467 L HA 0.459 4.799 4.340 -0.000 0.000 0.262 467 L C 0.345 177.245 176.870 0.050 0.000 1.006 467 L CA -1.119 53.764 54.840 0.072 0.000 0.818 467 L CB 1.693 43.804 42.059 0.088 0.000 1.354 467 L HN 0.152 nan 8.230 nan 0.000 0.415 468 Q N 1.232 121.051 119.800 0.033 0.000 2.392 468 Q HA 0.150 4.490 4.340 -0.000 0.000 0.262 468 Q C 0.912 176.928 176.000 0.026 0.000 1.003 468 Q CA 0.150 55.968 55.803 0.024 0.000 0.888 468 Q CB 0.974 29.721 28.738 0.015 0.000 1.260 468 Q HN 0.496 nan 8.270 nan 0.000 0.435 469 R N 1.547 122.061 120.500 0.023 0.000 2.134 469 R HA -0.240 4.100 4.340 -0.000 0.000 0.248 469 R C 1.428 177.737 176.300 0.016 0.000 1.143 469 R CA 1.732 57.845 56.100 0.022 0.000 0.957 469 R CB -0.054 30.256 30.300 0.017 0.000 0.867 469 R HN 0.557 nan 8.270 nan 0.000 0.441 470 N N 0.615 119.321 118.700 0.010 0.000 2.120 470 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 470 N C 1.497 177.008 175.510 0.001 0.000 1.024 470 N CA 1.259 54.312 53.050 0.004 0.000 0.852 470 N CB -0.143 38.345 38.487 0.002 0.000 1.003 470 N HN 0.395 nan 8.380 nan 0.000 0.424 471 E N 0.362 120.564 120.200 0.004 0.000 2.153 471 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 471 E C 1.773 178.369 176.600 -0.007 0.000 0.988 471 E CA 1.008 57.406 56.400 -0.004 0.000 0.811 471 E CB -0.062 29.638 29.700 0.000 0.000 0.746 471 E HN 0.356 nan 8.360 nan 0.000 0.466 472 A N 1.397 124.223 122.820 0.010 0.000 1.968 472 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 472 A C 2.016 179.604 177.584 0.007 0.000 1.169 472 A CA 0.767 52.815 52.037 0.018 0.000 0.638 472 A CB -0.211 18.823 19.000 0.055 0.000 0.812 472 A HN 0.049 nan 8.150 nan 0.000 0.446 473 R N -0.502 120.001 120.500 0.005 0.000 2.115 473 R HA -0.113 4.227 4.340 -0.000 0.000 0.230 473 R C 2.252 178.545 176.300 -0.011 0.000 1.111 473 R CA 1.518 57.617 56.100 -0.000 0.000 0.976 473 R CB -0.205 30.095 30.300 -0.001 0.000 0.870 473 R HN 0.678 nan 8.270 nan 0.000 0.445 474 Q N 0.099 119.889 119.800 -0.017 0.000 2.137 474 Q HA -0.076 4.264 4.340 -0.000 0.000 0.198 474 Q C 2.017 177.997 176.000 -0.035 0.000 0.960 474 Q CA 0.619 56.407 55.803 -0.025 0.000 0.847 474 Q CB -0.017 28.706 28.738 -0.025 0.000 0.915 474 Q HN 0.143 nan 8.270 nan 0.000 0.448 475 L N 1.443 122.639 121.223 -0.044 0.000 2.127 475 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 475 L C 1.908 178.751 176.870 -0.044 0.000 1.089 475 L CA 1.798 56.597 54.840 -0.069 0.000 0.757 475 L CB -0.139 41.851 42.059 -0.115 0.000 0.899 475 L HN 0.021 nan 8.230 nan 0.000 0.434 476 K N -1.706 118.680 120.400 -0.024 0.000 2.044 476 K HA 0.028 4.348 4.320 -0.000 0.000 0.204 476 K C 1.756 178.346 176.600 -0.017 0.000 1.049 476 K CA 1.511 57.792 56.287 -0.010 0.000 0.945 476 K CB 0.050 32.551 32.500 0.002 0.000 0.724 476 K HN 0.265 nan 8.250 nan 0.000 0.440 477 S N 0.375 116.060 115.700 -0.025 0.000 2.526 477 S HA 0.077 4.547 4.470 -0.000 0.000 0.220 477 S C 1.046 175.615 174.600 -0.051 0.000 1.017 477 S CA -0.190 57.989 58.200 -0.036 0.000 0.930 477 S CB 0.192 63.372 63.200 -0.032 0.000 0.856 477 S HN 0.212 nan 8.310 nan 0.000 0.497 478 N N 2.798 121.472 118.700 -0.044 0.000 2.348 478 N HA -0.019 4.721 4.740 -0.000 0.000 0.185 478 N C 0.312 175.783 175.510 -0.065 0.000 1.019 478 N CA 0.810 53.831 53.050 -0.049 0.000 0.880 478 N CB -0.211 38.255 38.487 -0.035 0.000 0.965 478 N HN 0.249 nan 8.380 nan 0.000 0.437 479 N N 0.042 118.704 118.700 -0.063 0.000 2.424 479 N HA 0.219 4.959 4.740 -0.000 0.000 0.271 479 N C -2.136 173.277 175.510 -0.163 0.000 0.985 479 N CA -1.941 51.062 53.050 -0.078 0.000 0.921 479 N CB 1.718 40.210 38.487 0.007 0.000 1.149 479 N HN -0.092 nan 8.380 nan 0.000 0.492 480 P HA 0.170 nan 4.420 nan 0.000 0.235 480 P C -0.505 176.535 177.300 -0.433 0.000 1.177 480 P CA 0.527 63.335 63.100 -0.487 0.000 0.785 480 P CB 0.136 31.371 31.700 -0.774 0.000 0.885 481 F N 0.011 119.960 119.950 -0.001 0.000 2.379 481 F HA 0.384 4.911 4.527 -0.000 0.000 0.332 481 F C 1.909 177.727 175.800 0.030 0.000 1.096 481 F CA -0.738 57.266 58.000 0.006 0.000 1.105 481 F CB 0.879 39.873 39.000 -0.010 0.000 1.189 481 F HN -0.336 nan 8.300 nan 0.000 0.515 482 K N 0.987 121.536 120.400 0.248 0.000 2.029 482 K HA -0.026 4.294 4.320 -0.000 0.000 0.205 482 K C 1.257 178.015 176.600 0.264 0.000 1.042 482 K CA 1.392 57.793 56.287 0.189 0.000 0.949 482 K CB -0.066 32.520 32.500 0.143 0.000 0.740 482 K HN 0.594 nan 8.250 nan 0.000 0.442 483 F N -0.074 119.917 119.950 0.067 0.000 2.581 483 F HA 0.314 4.841 4.527 -0.000 0.000 0.278 483 F C -0.460 175.391 175.800 0.084 0.000 1.000 483 F CA -0.511 57.516 58.000 0.046 0.000 1.230 483 F CB 0.569 39.561 39.000 -0.014 0.000 1.008 483 F HN -0.177 nan 8.300 nan 0.000 0.695 484 L N 1.960 123.190 121.223 0.012 0.000 2.292 484 L HA 0.421 4.761 4.340 -0.000 0.000 0.284 484 L C -0.302 176.436 176.870 -0.221 0.000 1.065 484 L CA -0.752 53.999 54.840 -0.150 0.000 0.806 484 L CB 0.850 42.822 42.059 -0.144 0.000 1.175 484 L HN -0.089 nan 8.230 nan 0.000 0.431 485 V N 6.352 126.127 119.914 -0.231 0.000 2.376 485 V HA 0.585 4.705 4.120 -0.000 0.000 0.287 485 V C -2.282 173.642 176.094 -0.283 0.000 1.015 485 V CA -1.869 60.285 62.300 -0.244 0.000 0.834 485 V CB 2.013 33.806 31.823 -0.050 0.000 1.001 485 V HN 0.626 nan 8.190 nan 0.000 0.428 486 P HA 0.286 nan 4.420 nan 0.000 0.273 486 P C -0.533 176.679 177.300 -0.146 0.000 1.250 486 P CA -0.093 62.834 63.100 -0.289 0.000 0.793 486 P CB 0.516 32.009 31.700 -0.344 0.000 1.011 487 A N 1.952 124.715 122.820 -0.095 0.000 2.450 487 A HA 0.120 4.440 4.320 -0.000 0.000 0.255 487 A C 1.489 179.056 177.584 -0.029 0.000 1.096 487 A CA -0.214 51.792 52.037 -0.051 0.000 0.778 487 A CB -0.110 18.872 19.000 -0.030 0.000 1.031 487 A HN 0.619 nan 8.150 nan 0.000 0.494 488 R N 1.908 122.399 120.500 -0.015 0.000 2.189 488 R HA 0.094 4.434 4.340 -0.000 0.000 0.203 488 R C -0.161 176.143 176.300 0.006 0.000 1.012 488 R CA 0.791 56.895 56.100 0.006 0.000 1.015 488 R CB -0.729 29.579 30.300 0.014 0.000 0.938 488 R HN 0.787 nan 8.270 nan 0.000 0.472 489 E N 0.000 120.198 120.200 -0.002 0.000 2.725 489 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 489 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 489 E CB 0.000 29.701 29.700 0.001 0.000 0.812 489 E HN 0.000 nan 8.360 nan 0.000 0.440