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 2iou_1_G DATA FIRST_RESID 38 DATA SEQUENCE DWNNQSIIKA GERQHGIHIK QSDGAGVRTA TGTTIKVSGR QAQGVLLENP DATA SEQUENCE AAELRFQNGS VTSSGQLFDE GVRRFLGTVT VKAGKLVADH ATLANVSDTR DATA SEQUENCE DDDGIALYVA GEQAQASIAD STLQGAGGVR VERGANVTVQ RSTIVDGGLH DATA SEQUENCE IGTLQPLQPE DLPPSRVVLG DTSVTAVPAS GAPAAVSVFG ANELTVDGGH DATA SEQUENCE ITGGRAAGVA AMDGAIVHLQ RATIRRGXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXGWYGVD VSDSTVDLAQ SIVEAPQLGA AIRAGRGARV TVSGGSLSAP DATA SEQUENCE HGNVIETGGG ARRFPPPASP LSITLQAGAR AQGRALLYRV LPEPVKLTLA DATA SEQUENCE GGAQGQGDIV ATELPPIPGA SSGPLDVALA SQARWTGATR AVDSLSIDNA DATA SEQUENCE TWVMTDNSNV GALRLASDGS VDFQQPAEAG RFKVLMVDTL AGSGLFRMNV DATA SEQUENCE FADLGLSDKL VVMRDASGQH RLWVRNSGSE PASANTMLLV QTPRGSAATF DATA SEQUENCE TLANKDGKVD IGTYRYRLAA NGNGQWSLVG AKAPP 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 38 D HA 0.000 nan 4.640 nan 0.000 0.175 38 D C 0.000 176.137 176.300 -0.272 0.000 2.045 38 D CA 0.000 53.868 54.000 -0.219 0.000 0.868 38 D CB 0.000 40.634 40.800 -0.276 0.000 0.688 39 W N 2.507 123.817 121.300 0.016 0.000 2.288 39 W HA 0.665 5.325 4.660 0.000 0.000 0.325 39 W C -0.686 175.823 176.519 -0.017 0.000 1.019 39 W CA -0.483 56.870 57.345 0.014 0.000 1.403 39 W CB 0.084 29.570 29.460 0.044 0.000 1.226 39 W HN -0.162 nan 8.180 nan 0.000 0.391 40 N N 3.718 122.505 118.700 0.145 0.000 2.444 40 N HA 0.188 4.928 4.740 0.000 0.000 0.262 40 N C 0.281 175.829 175.510 0.063 0.000 0.974 40 N CA -0.373 52.721 53.050 0.072 0.000 0.933 40 N CB 0.609 39.115 38.487 0.031 0.000 1.137 40 N HN 0.324 nan 8.380 nan 0.000 0.498 41 N N 0.305 119.027 118.700 0.037 0.000 2.681 41 N HA -0.259 4.481 4.740 0.000 0.000 0.250 41 N C -0.700 174.840 175.510 0.051 0.000 1.133 41 N CA 0.831 53.897 53.050 0.026 0.000 0.732 41 N CB -0.897 37.599 38.487 0.015 0.000 1.107 41 N HN 0.709 nan 8.380 nan 0.000 0.559 42 Q N 0.271 120.125 119.800 0.090 0.000 2.306 42 Q HA 0.341 4.681 4.340 0.000 0.000 0.241 42 Q C 0.324 176.381 176.000 0.095 0.000 0.948 42 Q CA 0.001 55.872 55.803 0.114 0.000 0.886 42 Q CB 1.115 29.973 28.738 0.199 0.000 1.227 42 Q HN 0.148 nan 8.270 nan 0.000 0.457 43 S N 2.818 118.569 115.700 0.086 0.000 2.468 43 S HA 0.328 4.799 4.470 0.000 0.000 0.190 43 S C -0.287 174.359 174.600 0.077 0.000 1.445 43 S CA -0.583 57.660 58.200 0.071 0.000 1.084 43 S CB -0.333 62.899 63.200 0.053 0.000 1.175 43 S HN 0.437 nan 8.310 nan 0.000 0.484 44 I N 4.111 124.732 120.570 0.086 0.000 2.648 44 I HA 0.342 4.512 4.170 0.000 0.000 0.284 44 I C 0.199 176.347 176.117 0.052 0.000 1.153 44 I CA 0.112 61.458 61.300 0.077 0.000 1.426 44 I CB 0.724 38.757 38.000 0.056 0.000 1.381 44 I HN 0.552 nan 8.210 nan 0.000 0.571 45 I N 5.695 126.293 120.570 0.048 0.000 2.710 45 I HA 0.272 4.442 4.170 0.000 0.000 0.283 45 I C -1.598 174.538 176.117 0.031 0.000 1.355 45 I CA -0.506 60.815 61.300 0.035 0.000 1.094 45 I CB 0.892 38.912 38.000 0.034 0.000 1.365 45 I HN 0.502 nan 8.210 nan 0.000 0.435 46 K N 5.370 125.785 120.400 0.024 0.000 2.463 46 K HA 0.681 5.001 4.320 0.000 0.000 0.255 46 K C 0.265 176.871 176.600 0.010 0.000 0.942 46 K CA -0.071 56.227 56.287 0.017 0.000 0.814 46 K CB 2.128 34.636 32.500 0.015 0.000 1.122 46 K HN 0.596 nan 8.250 nan 0.000 0.425 47 A N 2.519 125.343 122.820 0.007 0.000 2.267 47 A HA 0.230 4.550 4.320 0.000 0.000 0.213 47 A C 0.962 178.544 177.584 -0.004 0.000 1.192 47 A CA 0.270 52.310 52.037 0.004 0.000 0.851 47 A CB -0.098 18.905 19.000 0.006 0.000 0.881 47 A HN 0.722 nan 8.150 nan 0.000 0.494 48 G N 0.189 108.982 108.800 -0.011 0.000 2.380 48 G HA2 0.282 4.242 3.960 0.000 0.000 0.242 48 G HA3 0.282 4.242 3.960 0.000 0.000 0.242 48 G C -0.057 174.818 174.900 -0.041 0.000 1.298 48 G CA -0.282 44.804 45.100 -0.024 0.000 0.878 48 G HN 0.300 nan 8.290 nan 0.000 0.542 49 E N 1.701 121.877 120.200 -0.040 0.000 2.159 49 E HA 0.050 4.400 4.350 0.000 0.000 0.272 49 E C 1.026 177.575 176.600 -0.085 0.000 1.138 49 E CA -0.053 56.320 56.400 -0.045 0.000 0.915 49 E CB 0.013 29.695 29.700 -0.029 0.000 1.028 49 E HN 0.693 nan 8.360 nan 0.000 0.423 50 R N 2.821 123.252 120.500 -0.115 0.000 3.908 50 R HA -0.138 4.202 4.340 0.000 0.000 0.381 50 R C -0.523 175.511 176.300 -0.444 0.000 1.135 50 R CA 0.483 56.443 56.100 -0.233 0.000 0.990 50 R CB -0.595 29.596 30.300 -0.181 0.000 1.557 50 R HN 0.558 nan 8.270 nan 0.000 0.535 51 Q N 1.281 120.921 119.800 -0.267 0.000 2.423 51 Q HA 0.116 4.456 4.340 0.000 0.000 0.235 51 Q C -0.475 175.423 176.000 -0.169 0.000 1.100 51 Q CA 0.284 55.956 55.803 -0.219 0.000 0.908 51 Q CB 0.556 29.244 28.738 -0.083 0.000 1.312 51 Q HN 0.365 nan 8.270 nan 0.000 0.497 52 H N -0.301 118.762 119.070 -0.012 0.000 2.707 52 H HA 0.110 4.666 4.556 0.000 0.000 0.359 52 H C 1.500 176.819 175.328 -0.014 0.000 1.113 52 H CA -0.070 55.958 56.048 -0.033 0.000 1.422 52 H CB 0.975 30.696 29.762 -0.069 0.000 1.443 52 H HN 0.753 nan 8.280 nan 0.000 0.591 53 G N 2.518 111.367 108.800 0.081 0.000 2.453 53 G HA2 -0.127 3.833 3.960 0.000 0.000 0.215 53 G HA3 -0.127 3.833 3.960 0.000 0.000 0.215 53 G C 0.388 175.246 174.900 -0.070 0.000 1.201 53 G CA 0.611 45.706 45.100 -0.009 0.000 0.784 53 G HN 0.513 nan 8.290 nan 0.000 0.545 54 I N -0.430 120.081 120.570 -0.098 0.000 2.499 54 I HA 0.317 4.487 4.170 0.000 0.000 0.288 54 I C -1.356 174.805 176.117 0.073 0.000 1.048 54 I CA -0.917 60.308 61.300 -0.125 0.000 1.062 54 I CB 2.460 40.232 38.000 -0.381 0.000 1.238 54 I HN 0.095 nan 8.210 nan 0.000 0.426 55 H N 7.493 126.597 119.070 0.056 0.000 2.658 55 H HA 0.549 5.105 4.556 0.000 0.000 0.337 55 H C -1.354 174.029 175.328 0.091 0.000 1.009 55 H CA -0.775 55.315 56.048 0.071 0.000 1.231 55 H CB 1.312 31.184 29.762 0.184 0.000 1.508 55 H HN 0.417 nan 8.280 nan 0.000 0.517 56 I N 5.698 126.399 120.570 0.218 0.000 2.347 56 I HA 0.205 4.375 4.170 0.000 0.000 0.283 56 I C 0.014 176.101 176.117 -0.051 0.000 1.058 56 I CA -0.720 60.606 61.300 0.044 0.000 1.202 56 I CB 0.634 38.692 38.000 0.098 0.000 1.386 56 I HN 0.340 nan 8.210 nan 0.000 0.475 57 K N 4.458 124.705 120.400 -0.256 0.000 2.258 57 K HA 0.145 4.465 4.320 0.000 0.000 0.264 57 K C 1.042 177.613 176.600 -0.047 0.000 1.007 57 K CA -0.315 55.841 56.287 -0.218 0.000 0.941 57 K CB 0.794 33.129 32.500 -0.275 0.000 0.966 57 K HN 0.471 nan 8.250 nan 0.000 0.480 58 Q N 0.372 120.172 119.800 -0.000 0.000 2.050 58 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 58 Q C 0.406 176.407 176.000 0.003 0.000 0.980 58 Q CA 1.365 57.177 55.803 0.015 0.000 0.840 58 Q CB -0.191 28.563 28.738 0.027 0.000 0.898 58 Q HN 0.622 nan 8.270 nan 0.000 0.424 59 S N 1.062 116.758 115.700 -0.006 0.000 4.139 59 S HA 0.318 4.788 4.470 0.000 0.000 0.215 59 S C -0.793 173.797 174.600 -0.017 0.000 1.390 59 S CA -0.499 57.696 58.200 -0.008 0.000 0.885 59 S CB 0.245 63.442 63.200 -0.006 0.000 1.560 59 S HN 0.101 nan 8.310 nan 0.000 0.449 60 D N 0.390 120.783 120.400 -0.011 0.000 2.639 60 D HA 0.485 5.125 4.640 0.000 0.000 0.271 60 D C 0.152 176.453 176.300 0.001 0.000 1.254 60 D CA -0.351 53.642 54.000 -0.011 0.000 0.810 60 D CB 1.357 42.144 40.800 -0.022 0.000 1.351 60 D HN 0.469 nan 8.370 nan 0.000 0.427 61 G N -0.076 108.727 108.800 0.005 0.000 2.368 61 G HA2 0.422 4.382 3.960 0.000 0.000 0.233 61 G HA3 0.422 4.382 3.960 0.000 0.000 0.233 61 G C -0.132 174.778 174.900 0.016 0.000 1.267 61 G CA 0.370 45.475 45.100 0.009 0.000 0.873 61 G HN 0.439 nan 8.290 nan 0.000 0.539 62 A N 1.419 124.247 122.820 0.014 0.000 2.276 62 A HA 0.883 5.203 4.320 0.000 0.000 0.300 62 A C 0.819 178.416 177.584 0.021 0.000 1.235 62 A CA 0.577 52.624 52.037 0.018 0.000 0.867 62 A CB 0.574 19.583 19.000 0.014 0.000 1.137 62 A HN 2.343 nan 8.150 nan 0.000 0.527 63 G N -0.177 108.640 108.800 0.028 0.000 2.352 63 G HA2 0.397 4.358 3.960 0.000 0.000 0.283 63 G HA3 0.397 4.358 3.960 0.000 0.000 0.283 63 G C -1.377 173.549 174.900 0.043 0.000 1.308 63 G CA -0.148 44.970 45.100 0.030 0.000 0.892 63 G HN 1.214 nan 8.290 nan 0.000 0.504 64 V N 1.375 121.315 119.914 0.044 0.000 2.318 64 V HA 0.580 4.700 4.120 0.000 0.000 0.271 64 V C 0.558 176.697 176.094 0.075 0.000 1.030 64 V CA -0.521 61.814 62.300 0.058 0.000 0.844 64 V CB 0.612 32.464 31.823 0.048 0.000 1.015 64 V HN 0.685 nan 8.190 nan 0.000 0.460 65 R N 2.158 122.724 120.500 0.110 0.000 2.546 65 R HA 0.774 5.114 4.340 0.000 0.000 0.266 65 R C 0.244 176.652 176.300 0.180 0.000 1.086 65 R CA -0.197 56.002 56.100 0.165 0.000 1.160 65 R CB 1.070 31.522 30.300 0.253 0.000 1.138 65 R HN 0.779 nan 8.270 nan 0.000 0.567 66 T N -1.206 113.492 114.554 0.240 0.000 3.159 66 T HA 0.689 5.039 4.350 0.000 0.000 0.343 66 T C -2.013 172.863 174.700 0.293 0.000 1.364 66 T CA -0.471 61.753 62.100 0.207 0.000 1.102 66 T CB 0.964 69.900 68.868 0.114 0.000 1.263 66 T HN 0.633 nan 8.240 nan 0.000 0.477 67 A N 3.145 126.083 122.820 0.196 0.000 2.408 67 A HA 0.812 5.132 4.320 0.000 0.000 0.295 67 A C -0.462 177.031 177.584 -0.152 0.000 1.040 67 A CA -0.695 51.412 52.037 0.116 0.000 0.707 67 A CB 1.723 20.775 19.000 0.086 0.000 1.235 67 A HN 0.867 nan 8.150 nan 0.000 0.418 68 T N 0.450 114.936 114.554 -0.114 0.000 2.886 68 T HA 0.594 4.944 4.350 0.000 0.000 0.292 68 T C 0.943 175.557 174.700 -0.144 0.000 1.012 68 T CA 0.299 62.302 62.100 -0.162 0.000 0.982 68 T CB 1.569 70.395 68.868 -0.071 0.000 1.018 68 T HN 2.285 nan 8.240 nan 0.000 0.451 69 G N 2.543 111.235 108.800 -0.179 0.000 2.180 69 G HA2 -0.280 3.680 3.960 0.000 0.000 0.263 69 G HA3 -0.280 3.680 3.960 0.000 0.000 0.263 69 G C 0.285 175.133 174.900 -0.086 0.000 0.989 69 G CA 0.524 45.559 45.100 -0.107 0.000 0.692 69 G HN 0.866 nan 8.290 nan 0.000 0.526 70 T N 1.286 115.748 114.554 -0.152 0.000 2.897 70 T HA 0.561 4.911 4.350 0.000 0.000 0.294 70 T C 0.629 175.337 174.700 0.013 0.000 1.004 70 T CA 0.710 62.780 62.100 -0.050 0.000 1.106 70 T CB 1.400 70.255 68.868 -0.022 0.000 0.949 70 T HN 0.869 nan 8.240 nan 0.000 0.520 71 T N 1.017 115.618 114.554 0.078 0.000 2.824 71 T HA 0.724 5.074 4.350 0.000 0.000 0.282 71 T C -0.454 174.310 174.700 0.106 0.000 0.993 71 T CA -0.821 61.351 62.100 0.120 0.000 0.967 71 T CB 0.460 69.374 68.868 0.078 0.000 0.960 71 T HN 0.422 nan 8.240 nan 0.000 0.441 72 I N 2.389 123.024 120.570 0.109 0.000 2.404 72 I HA 0.567 4.737 4.170 0.000 0.000 0.293 72 I C -0.078 176.056 176.117 0.027 0.000 0.992 72 I CA -0.851 60.475 61.300 0.042 0.000 1.149 72 I CB 2.017 40.009 38.000 -0.014 0.000 1.315 72 I HN 0.593 nan 8.210 nan 0.000 0.446 73 K N 5.048 125.461 120.400 0.022 0.000 2.541 73 K HA 0.674 4.994 4.320 0.000 0.000 0.250 73 K C -1.850 174.759 176.600 0.016 0.000 0.950 73 K CA -0.471 55.827 56.287 0.019 0.000 0.805 73 K CB 2.062 34.577 32.500 0.025 0.000 1.166 73 K HN 0.344 nan 8.250 nan 0.000 0.430 74 V N 3.614 123.535 119.914 0.013 0.000 2.482 74 V HA 0.168 4.288 4.120 0.000 0.000 0.295 74 V C 0.552 176.655 176.094 0.016 0.000 1.026 74 V CA -0.419 61.890 62.300 0.015 0.000 0.856 74 V CB 1.501 33.335 31.823 0.018 0.000 1.001 74 V HN 0.975 nan 8.190 nan 0.000 0.424 75 S N 2.692 118.401 115.700 0.015 0.000 2.517 75 S HA 0.140 4.610 4.470 0.000 0.000 0.214 75 S C 1.166 175.774 174.600 0.013 0.000 0.991 75 S CA 0.332 58.541 58.200 0.015 0.000 0.906 75 S CB 0.268 63.476 63.200 0.013 0.000 0.789 75 S HN 1.018 nan 8.310 nan 0.000 0.513 76 G N 2.832 111.637 108.800 0.007 0.000 2.178 76 G HA2 0.137 4.097 3.960 0.000 0.000 0.244 76 G HA3 0.137 4.097 3.960 0.000 0.000 0.244 76 G C -0.026 174.877 174.900 0.006 0.000 1.213 76 G CA -0.372 44.727 45.100 -0.002 0.000 0.912 76 G HN 0.433 nan 8.290 nan 0.000 0.474 77 R N 2.807 123.311 120.500 0.007 0.000 2.449 77 R HA 0.043 4.383 4.340 0.000 0.000 0.296 77 R C 0.795 177.102 176.300 0.011 0.000 1.047 77 R CA 0.351 56.464 56.100 0.020 0.000 1.018 77 R CB -0.052 30.263 30.300 0.025 0.000 0.962 77 R HN 0.848 nan 8.270 nan 0.000 0.428 78 Q N 0.138 119.953 119.800 0.025 0.000 2.481 78 Q HA -0.229 4.111 4.340 0.000 0.000 0.258 78 Q C -1.308 174.710 176.000 0.030 0.000 0.961 78 Q CA 1.268 57.072 55.803 0.003 0.000 1.121 78 Q CB -0.916 27.797 28.738 -0.042 0.000 1.503 78 Q HN 0.719 nan 8.270 nan 0.000 0.544 79 A N 1.491 124.340 122.820 0.048 0.000 2.304 79 A HA 0.539 4.859 4.320 0.000 0.000 0.314 79 A C 0.068 177.738 177.584 0.143 0.000 1.187 79 A CA -0.750 51.367 52.037 0.133 0.000 0.810 79 A CB 0.813 19.820 19.000 0.012 0.000 1.183 79 A HN 0.272 nan 8.150 nan 0.000 0.487 80 Q N 2.295 122.206 119.800 0.184 0.000 2.227 80 Q HA 0.394 4.734 4.340 0.000 0.000 0.245 80 Q C 0.913 176.909 176.000 -0.008 0.000 0.926 80 Q CA -0.069 55.732 55.803 -0.002 0.000 0.895 80 Q CB 1.121 29.773 28.738 -0.143 0.000 1.230 80 Q HN 0.668 nan 8.270 nan 0.000 0.450 81 G N 1.480 110.250 108.800 -0.049 0.000 2.459 81 G HA2 -0.089 3.871 3.960 0.000 0.000 0.217 81 G HA3 -0.089 3.871 3.960 0.000 0.000 0.217 81 G C 0.216 175.037 174.900 -0.132 0.000 1.183 81 G CA 0.722 45.774 45.100 -0.080 0.000 0.776 81 G HN 0.405 nan 8.290 nan 0.000 0.552 82 V N 0.429 120.239 119.914 -0.173 0.000 2.569 82 V HA 0.503 4.623 4.120 0.000 0.000 0.301 82 V C -1.282 174.696 176.094 -0.193 0.000 1.044 82 V CA -0.793 61.392 62.300 -0.192 0.000 0.874 82 V CB 1.963 33.633 31.823 -0.255 0.000 1.002 82 V HN 0.231 nan 8.190 nan 0.000 0.424 83 L N 6.239 127.337 121.223 -0.209 0.000 2.325 83 L HA 0.761 5.101 4.340 0.000 0.000 0.281 83 L C -1.116 175.733 176.870 -0.036 0.000 1.004 83 L CA -0.420 54.276 54.840 -0.240 0.000 0.823 83 L CB 1.445 43.129 42.059 -0.624 0.000 1.236 83 L HN 0.645 nan 8.230 nan 0.000 0.415 84 L N 4.751 125.964 121.223 -0.016 0.000 2.343 84 L HA 0.549 4.889 4.340 0.000 0.000 0.278 84 L C -0.199 176.701 176.870 0.051 0.000 0.996 84 L CA 0.372 55.236 54.840 0.040 0.000 0.831 84 L CB 1.452 43.522 42.059 0.018 0.000 1.232 84 L HN 0.812 nan 8.230 nan 0.000 0.413 85 E N 3.256 123.505 120.200 0.083 0.000 3.521 85 E HA 0.279 4.629 4.350 0.000 0.000 0.183 85 E C -1.037 175.599 176.600 0.062 0.000 0.981 85 E CA -0.075 56.372 56.400 0.079 0.000 1.349 85 E CB 0.299 30.077 29.700 0.130 0.000 1.102 85 E HN 0.502 nan 8.360 nan 0.000 0.449 86 N N 0.846 119.575 118.700 0.048 0.000 2.558 86 N HA 0.173 4.913 4.740 0.000 0.000 0.285 86 N C -2.339 173.190 175.510 0.031 0.000 1.112 86 N CA -1.884 51.188 53.050 0.037 0.000 0.857 86 N CB 1.767 40.274 38.487 0.034 0.000 1.376 86 N HN -0.096 nan 8.380 nan 0.000 0.526 87 P HA -0.004 nan 4.420 nan 0.000 0.231 87 P C 0.466 177.778 177.300 0.021 0.000 1.158 87 P CA 0.641 63.754 63.100 0.022 0.000 0.763 87 P CB 0.394 32.105 31.700 0.018 0.000 0.805 88 A N -1.175 121.658 122.820 0.022 0.000 2.382 88 A HA 0.555 4.876 4.320 0.000 0.000 0.228 88 A C 1.217 178.817 177.584 0.027 0.000 1.217 88 A CA 0.134 52.184 52.037 0.022 0.000 0.923 88 A CB -0.073 18.938 19.000 0.018 0.000 0.979 88 A HN 0.234 nan 8.150 nan 0.000 0.515 89 A N 0.163 123.003 122.820 0.033 0.000 2.304 89 A HA 0.614 4.934 4.320 0.000 0.000 0.301 89 A C -0.213 177.399 177.584 0.046 0.000 1.132 89 A CA -0.357 51.706 52.037 0.044 0.000 0.819 89 A CB 0.430 19.461 19.000 0.052 0.000 1.094 89 A HN 0.378 nan 8.150 nan 0.000 0.492 90 E N 1.728 121.960 120.200 0.054 0.000 2.248 90 E HA 0.523 4.873 4.350 0.000 0.000 0.267 90 E C -1.905 174.743 176.600 0.080 0.000 0.877 90 E CA -0.610 55.824 56.400 0.057 0.000 0.759 90 E CB 1.412 31.141 29.700 0.049 0.000 1.182 90 E HN 0.587 nan 8.360 nan 0.000 0.418 91 L N 5.044 126.317 121.223 0.084 0.000 2.349 91 L HA 0.559 4.899 4.340 0.000 0.000 0.278 91 L C -1.192 175.755 176.870 0.128 0.000 0.996 91 L CA -0.602 54.308 54.840 0.117 0.000 0.825 91 L CB 1.306 43.428 42.059 0.105 0.000 1.243 91 L HN 0.714 nan 8.230 nan 0.000 0.412 92 R N 4.794 125.386 120.500 0.153 0.000 2.338 92 R HA 0.463 4.803 4.340 0.000 0.000 0.317 92 R C -1.507 174.923 176.300 0.216 0.000 0.968 92 R CA -0.434 55.759 56.100 0.154 0.000 0.849 92 R CB 2.054 32.419 30.300 0.108 0.000 1.128 92 R HN 0.440 nan 8.270 nan 0.000 0.448 93 F N 2.552 122.523 119.950 0.035 0.000 2.499 93 F HA 0.325 4.852 4.527 0.000 0.000 0.333 93 F C -0.766 175.059 175.800 0.041 0.000 1.138 93 F CA -0.299 57.715 58.000 0.025 0.000 0.945 93 F CB 1.582 40.579 39.000 -0.006 0.000 1.181 93 F HN 0.390 nan 8.300 nan 0.000 0.435 94 Q N 3.964 123.611 119.800 -0.255 0.000 2.397 94 Q HA 0.347 4.688 4.340 0.000 0.000 0.275 94 Q C -0.335 175.549 176.000 -0.194 0.000 1.090 94 Q CA -1.124 54.618 55.803 -0.102 0.000 0.809 94 Q CB 1.985 30.711 28.738 -0.020 0.000 1.362 94 Q HN 0.650 nan 8.270 nan 0.000 0.431 95 N N -0.154 118.521 118.700 -0.042 0.000 2.696 95 N HA -0.185 4.555 4.740 0.000 0.000 0.249 95 N C -0.542 174.913 175.510 -0.092 0.000 1.090 95 N CA 1.266 54.287 53.050 -0.048 0.000 0.716 95 N CB -0.864 37.575 38.487 -0.079 0.000 1.020 95 N HN 0.788 nan 8.380 nan 0.000 0.548 96 G N -1.179 107.556 108.800 -0.108 0.000 2.685 96 G HA2 0.657 4.617 3.960 0.000 0.000 0.298 96 G HA3 0.657 4.617 3.960 0.000 0.000 0.298 96 G C -0.966 174.111 174.900 0.295 0.000 1.277 96 G CA -0.030 45.022 45.100 -0.080 0.000 0.986 96 G HN 0.214 nan 8.290 nan 0.000 0.487 97 S N -1.056 114.846 115.700 0.336 0.000 2.571 97 S HA 0.668 5.138 4.470 0.000 0.000 0.284 97 S C -1.284 173.436 174.600 0.200 0.000 1.128 97 S CA -0.560 57.782 58.200 0.236 0.000 0.970 97 S CB 1.825 65.099 63.200 0.124 0.000 1.039 97 S HN 0.761 nan 8.310 nan 0.000 0.485 98 V N 3.660 123.610 119.914 0.061 0.000 2.525 98 V HA 0.761 4.881 4.120 0.000 0.000 0.299 98 V C -0.045 176.031 176.094 -0.030 0.000 1.034 98 V CA -0.397 61.875 62.300 -0.047 0.000 0.863 98 V CB 1.558 33.235 31.823 -0.243 0.000 0.999 98 V HN 1.023 nan 8.190 nan 0.000 0.423 99 T N 2.289 116.835 114.554 -0.013 0.000 2.912 99 T HA 0.756 5.106 4.350 0.000 0.000 0.299 99 T C -0.678 174.021 174.700 -0.002 0.000 1.052 99 T CA -0.130 61.969 62.100 -0.002 0.000 0.996 99 T CB 1.918 70.794 68.868 0.013 0.000 1.070 99 T HN 1.010 nan 8.240 nan 0.000 0.465 100 S N 1.870 117.572 115.700 0.004 0.000 2.536 100 S HA 0.606 5.076 4.470 0.000 0.000 0.287 100 S C 0.660 175.272 174.600 0.021 0.000 1.101 100 S CA 0.025 58.232 58.200 0.012 0.000 0.950 100 S CB 1.782 64.988 63.200 0.010 0.000 1.056 100 S HN 1.224 nan 8.310 nan 0.000 0.481 101 S N 2.064 117.778 115.700 0.024 0.000 2.559 101 S HA 0.379 4.849 4.470 0.000 0.000 0.226 101 S C 1.031 175.652 174.600 0.034 0.000 1.030 101 S CA 0.023 58.240 58.200 0.027 0.000 0.956 101 S CB -0.465 62.748 63.200 0.021 0.000 0.900 101 S HN 1.223 nan 8.310 nan 0.000 0.510 102 G N 1.712 110.533 108.800 0.036 0.000 2.544 102 G HA2 0.331 4.291 3.960 0.000 0.000 0.242 102 G HA3 0.331 4.291 3.960 0.000 0.000 0.242 102 G C -0.407 174.532 174.900 0.065 0.000 1.247 102 G CA -0.349 44.776 45.100 0.042 0.000 0.840 102 G HN 0.327 nan 8.290 nan 0.000 0.578 103 Q N 0.783 120.627 119.800 0.073 0.000 2.304 103 Q HA 0.153 4.493 4.340 0.000 0.000 0.260 103 Q C -0.013 176.055 176.000 0.114 0.000 0.965 103 Q CA 0.002 55.871 55.803 0.109 0.000 0.898 103 Q CB 0.895 29.681 28.738 0.081 0.000 1.196 103 Q HN 0.509 nan 8.270 nan 0.000 0.402 104 L N 6.355 127.659 121.223 0.135 0.000 3.066 104 L HA 0.281 4.621 4.340 0.000 0.000 0.265 104 L C 0.178 176.965 176.870 -0.138 0.000 1.232 104 L CA -0.442 54.425 54.840 0.046 0.000 1.031 104 L CB 0.020 42.135 42.059 0.093 0.000 1.379 104 L HN 0.541 nan 8.230 nan 0.000 0.563 105 F N -1.599 117.920 119.950 -0.718 0.000 2.471 105 F HA 0.436 4.963 4.527 0.000 0.000 0.353 105 F C 0.420 175.947 175.800 -0.456 0.000 1.113 105 F CA -0.605 56.797 58.000 -0.997 0.000 1.262 105 F CB 0.580 38.729 39.000 -1.419 0.000 1.146 105 F HN -0.079 nan 8.300 nan 0.000 0.578 106 D N 1.393 121.464 120.400 -0.547 0.000 2.539 106 D HA 0.280 4.920 4.640 0.000 0.000 0.276 106 D C 0.060 176.035 176.300 -0.542 0.000 1.206 106 D CA -0.341 53.360 54.000 -0.498 0.000 1.081 106 D CB 1.268 41.894 40.800 -0.291 0.000 1.142 106 D HN 0.770 nan 8.370 nan 0.000 0.595 107 E N -1.421 118.571 120.200 -0.347 0.000 2.639 107 E HA 0.217 4.567 4.350 0.000 0.000 0.225 107 E C 0.163 176.685 176.600 -0.131 0.000 0.921 107 E CA -0.211 56.042 56.400 -0.244 0.000 1.184 107 E CB 1.140 30.692 29.700 -0.247 0.000 1.160 107 E HN 0.380 nan 8.360 nan 0.000 0.547 108 G N 2.040 110.770 108.800 -0.117 0.000 2.588 108 G HA2 0.250 4.210 3.960 0.000 0.000 0.297 108 G HA3 0.250 4.210 3.960 0.000 0.000 0.297 108 G C 0.925 175.802 174.900 -0.039 0.000 0.874 108 G CA -0.171 44.892 45.100 -0.062 0.000 1.607 108 G HN 0.050 nan 8.290 nan 0.000 0.486 109 V N 1.126 121.028 119.914 -0.021 0.000 4.253 109 V HA -0.336 3.784 4.120 0.000 0.000 0.233 109 V C 1.805 177.906 176.094 0.012 0.000 0.511 109 V CA 1.638 63.941 62.300 0.005 0.000 0.872 109 V CB -2.471 29.368 31.823 0.027 0.000 0.899 109 V HN 1.184 nan 8.190 nan 0.000 1.196 110 R N -1.588 118.895 120.500 -0.029 0.000 4.022 110 R HA -0.266 4.074 4.340 0.000 0.000 0.428 110 R C 0.676 176.995 176.300 0.031 0.000 1.051 110 R CA 2.050 58.143 56.100 -0.012 0.000 1.502 110 R CB -1.072 29.273 30.300 0.076 0.000 2.112 110 R HN 0.715 nan 8.270 nan 0.000 0.547 111 R N 0.527 121.048 120.500 0.035 0.000 2.770 111 R HA 0.023 4.363 4.340 0.000 0.000 0.361 111 R C -0.443 175.871 176.300 0.023 0.000 0.860 111 R CA 0.849 57.000 56.100 0.085 0.000 1.071 111 R CB -0.889 29.460 30.300 0.082 0.000 0.907 111 R HN 0.205 nan 8.270 nan 0.000 0.403 112 F N 2.881 122.804 119.950 -0.044 0.000 1.893 112 F HA -0.327 4.200 4.527 0.000 0.000 0.249 112 F C 0.386 176.032 175.800 -0.257 0.000 0.955 112 F CA 0.438 58.408 58.000 -0.050 0.000 0.668 112 F CB -0.196 38.817 39.000 0.021 0.000 0.608 112 F HN 0.435 nan 8.300 nan 0.000 0.684 113 L N 2.750 123.873 121.223 -0.167 0.000 2.569 113 L HA 0.739 5.079 4.340 0.000 0.000 0.247 113 L C 1.078 177.870 176.870 -0.130 0.000 1.135 113 L CA -0.380 54.201 54.840 -0.432 0.000 0.812 113 L CB 0.596 42.426 42.059 -0.381 0.000 1.431 113 L HN 0.575 nan 8.230 nan 0.000 0.499 114 G N -1.769 106.981 108.800 -0.083 0.000 2.481 114 G HA2 0.367 4.327 3.960 0.000 0.000 0.315 114 G HA3 0.367 4.327 3.960 0.000 0.000 0.315 114 G C 0.511 175.416 174.900 0.007 0.000 1.231 114 G CA 0.240 45.371 45.100 0.053 0.000 0.968 114 G HN 0.651 nan 8.290 nan 0.000 0.482 115 T N -0.978 113.583 114.554 0.011 0.000 2.778 115 T HA -0.126 4.224 4.350 0.000 0.000 0.269 115 T C 0.741 175.402 174.700 -0.064 0.000 1.050 115 T CA 1.525 63.611 62.100 -0.023 0.000 1.137 115 T CB -0.217 68.643 68.868 -0.013 0.000 0.860 115 T HN 0.240 nan 8.240 nan 0.000 0.468 116 V N 2.420 122.301 119.914 -0.054 0.000 2.384 116 V HA 0.481 4.601 4.120 0.000 0.000 0.287 116 V C -0.273 175.809 176.094 -0.020 0.000 1.020 116 V CA -0.776 61.474 62.300 -0.083 0.000 0.850 116 V CB 1.548 33.300 31.823 -0.118 0.000 0.987 116 V HN 0.514 nan 8.190 nan 0.000 0.436 117 T N 3.039 117.569 114.554 -0.039 0.000 2.815 117 T HA 0.609 4.959 4.350 0.000 0.000 0.289 117 T C -0.565 174.150 174.700 0.025 0.000 1.000 117 T CA -0.617 61.505 62.100 0.037 0.000 0.958 117 T CB 1.584 70.438 68.868 -0.022 0.000 0.944 117 T HN 0.227 nan 8.240 nan 0.000 0.442 118 V N 4.154 124.110 119.914 0.070 0.000 2.334 118 V HA 0.366 4.486 4.120 0.000 0.000 0.281 118 V C 0.770 176.902 176.094 0.063 0.000 1.016 118 V CA -0.553 61.771 62.300 0.039 0.000 0.832 118 V CB 1.210 33.041 31.823 0.012 0.000 0.999 118 V HN 0.874 nan 8.190 nan 0.000 0.439 119 K N 2.840 123.275 120.400 0.057 0.000 2.313 119 K HA 0.580 4.900 4.320 0.000 0.000 0.197 119 K C 0.515 177.140 176.600 0.042 0.000 1.061 119 K CA 0.698 57.024 56.287 0.064 0.000 0.980 119 K CB 1.015 33.553 32.500 0.064 0.000 0.888 119 K HN 0.725 nan 8.250 nan 0.000 0.502 120 A N 0.335 123.177 122.820 0.036 0.000 2.549 120 A HA 0.682 5.002 4.320 0.000 0.000 0.297 120 A C -0.509 177.092 177.584 0.029 0.000 1.061 120 A CA -0.182 51.873 52.037 0.029 0.000 0.690 120 A CB 1.468 20.487 19.000 0.031 0.000 1.287 120 A HN 0.259 nan 8.150 nan 0.000 0.402 121 G N 0.511 109.325 108.800 0.024 0.000 2.603 121 G HA2 0.171 4.131 3.960 0.000 0.000 0.686 121 G HA3 0.171 4.131 3.960 0.000 0.000 0.686 121 G C -0.732 174.181 174.900 0.022 0.000 1.286 121 G CA -0.226 44.890 45.100 0.026 0.000 0.871 121 G HN 0.904 nan 8.290 nan 0.000 0.568 122 K N -0.400 120.015 120.400 0.025 0.000 2.221 122 K HA 0.661 4.981 4.320 0.000 0.000 0.258 122 K C -1.091 175.526 176.600 0.028 0.000 0.944 122 K CA -0.904 55.396 56.287 0.022 0.000 0.823 122 K CB 1.574 34.088 32.500 0.023 0.000 1.113 122 K HN 0.759 nan 8.250 nan 0.000 0.431 123 L N 4.719 125.955 121.223 0.021 0.000 2.325 123 L HA 0.379 4.719 4.340 0.000 0.000 0.281 123 L C -1.496 175.393 176.870 0.032 0.000 1.004 123 L CA -0.494 54.360 54.840 0.025 0.000 0.823 123 L CB 1.718 43.778 42.059 0.001 0.000 1.236 123 L HN 0.271 nan 8.230 nan 0.000 0.415 124 V N 5.317 125.265 119.914 0.057 0.000 2.313 124 V HA 0.802 4.922 4.120 0.000 0.000 0.278 124 V C 0.327 176.479 176.094 0.096 0.000 1.017 124 V CA -0.322 62.015 62.300 0.062 0.000 0.823 124 V CB 0.762 32.622 31.823 0.061 0.000 1.010 124 V HN 0.940 nan 8.190 nan 0.000 0.443 125 A N 3.678 126.546 122.820 0.081 0.000 2.317 125 A HA 0.843 5.163 4.320 0.000 0.000 0.327 125 A C -0.811 176.822 177.584 0.082 0.000 1.178 125 A CA -0.478 51.633 52.037 0.124 0.000 0.817 125 A CB 0.940 19.997 19.000 0.095 0.000 1.189 125 A HN 0.802 nan 8.150 nan 0.000 0.489 126 D N 0.058 120.526 120.400 0.114 0.000 2.896 126 D HA 0.519 5.159 4.640 0.000 0.000 0.241 126 D C -1.208 175.174 176.300 0.138 0.000 1.188 126 D CA -0.135 53.900 54.000 0.060 0.000 0.879 126 D CB 0.822 41.693 40.800 0.118 0.000 1.553 126 D HN 0.706 nan 8.370 nan 0.000 0.515 127 H N 0.310 119.408 119.070 0.046 0.000 2.499 127 H HA 0.017 4.573 4.556 0.000 0.000 0.321 127 H C -0.789 174.577 175.328 0.064 0.000 1.026 127 H CA 0.847 56.919 56.048 0.040 0.000 1.077 127 H CB -0.962 28.811 29.762 0.019 0.000 1.612 127 H HN 0.354 nan 8.280 nan 0.000 0.374 128 A N 1.186 124.095 122.820 0.148 0.000 2.414 128 A HA 0.728 5.048 4.320 0.000 0.000 0.306 128 A C 0.166 177.821 177.584 0.118 0.000 1.054 128 A CA -0.560 51.588 52.037 0.185 0.000 0.724 128 A CB 1.514 20.683 19.000 0.281 0.000 1.267 128 A HN 0.263 nan 8.150 nan 0.000 0.418 129 T N 2.046 116.671 114.554 0.118 0.000 2.795 129 T HA 0.559 4.909 4.350 0.000 0.000 0.282 129 T C -0.813 173.917 174.700 0.050 0.000 0.980 129 T CA -0.049 62.093 62.100 0.070 0.000 1.012 129 T CB 0.508 69.412 68.868 0.061 0.000 0.936 129 T HN 0.329 nan 8.240 nan 0.000 0.457 130 L N 3.142 124.376 121.223 0.018 0.000 2.343 130 L HA 0.729 5.069 4.340 0.000 0.000 0.278 130 L C -0.105 176.765 176.870 -0.001 0.000 0.996 130 L CA -0.455 54.379 54.840 -0.011 0.000 0.831 130 L CB 1.281 43.321 42.059 -0.032 0.000 1.232 130 L HN 0.841 nan 8.230 nan 0.000 0.413 131 A N 2.731 125.550 122.820 -0.001 0.000 2.386 131 A HA 0.757 5.077 4.320 0.000 0.000 0.311 131 A C -0.740 176.849 177.584 0.008 0.000 1.068 131 A CA -0.578 51.464 52.037 0.008 0.000 0.743 131 A CB 1.259 20.267 19.000 0.013 0.000 1.258 131 A HN 0.537 nan 8.150 nan 0.000 0.429 132 N N 2.583 121.293 118.700 0.016 0.000 2.696 132 N HA 0.275 5.015 4.740 0.000 0.000 0.246 132 N C -0.482 175.042 175.510 0.023 0.000 1.057 132 N CA -0.251 52.812 53.050 0.023 0.000 0.867 132 N CB 1.279 39.786 38.487 0.033 0.000 1.141 132 N HN 0.274 nan 8.380 nan 0.000 0.517 133 V N 1.505 121.431 119.914 0.021 0.000 3.337 133 V HA 0.087 4.207 4.120 0.000 0.000 0.343 133 V C 1.262 177.369 176.094 0.021 0.000 1.302 133 V CA -0.342 61.969 62.300 0.018 0.000 1.268 133 V CB -1.501 30.332 31.823 0.016 0.000 1.185 133 V HN 0.602 nan 8.190 nan 0.000 0.447 134 S N 0.034 115.750 115.700 0.027 0.000 2.617 134 S HA 0.209 4.680 4.470 0.000 0.000 0.259 134 S C -0.110 174.504 174.600 0.022 0.000 1.301 134 S CA -0.431 57.788 58.200 0.032 0.000 0.984 134 S CB 0.883 64.114 63.200 0.051 0.000 0.954 134 S HN 0.556 nan 8.310 nan 0.000 0.572 135 D N -0.613 119.800 120.400 0.022 0.000 2.295 135 D HA 0.304 4.944 4.640 0.000 0.000 0.248 135 D C 0.992 177.297 176.300 0.009 0.000 1.154 135 D CA -0.390 53.617 54.000 0.012 0.000 0.857 135 D CB 0.814 41.620 40.800 0.009 0.000 1.117 135 D HN 0.462 nan 8.370 nan 0.000 0.468 136 T N 3.282 117.834 114.554 -0.004 0.000 2.849 136 T HA -0.156 4.194 4.350 0.000 0.000 0.270 136 T C 1.752 176.435 174.700 -0.029 0.000 1.066 136 T CA 0.872 62.959 62.100 -0.022 0.000 1.130 136 T CB -0.128 68.723 68.868 -0.028 0.000 0.864 136 T HN 0.470 nan 8.240 nan 0.000 0.481 137 R N 0.956 121.445 120.500 -0.017 0.000 2.159 137 R HA -0.084 4.256 4.340 0.000 0.000 0.237 137 R C 1.611 177.905 176.300 -0.011 0.000 1.131 137 R CA 1.318 57.407 56.100 -0.019 0.000 0.982 137 R CB -0.145 30.147 30.300 -0.014 0.000 0.868 137 R HN 0.474 nan 8.270 nan 0.000 0.453 138 D N -0.569 119.837 120.400 0.010 0.000 2.615 138 D HA -0.002 4.638 4.640 0.000 0.000 0.259 138 D C 0.055 176.442 176.300 0.145 0.000 0.999 138 D CA 0.541 54.564 54.000 0.039 0.000 0.938 138 D CB 0.142 40.960 40.800 0.030 0.000 1.121 138 D HN 0.015 nan 8.370 nan 0.000 0.487 139 D N -0.167 120.308 120.400 0.125 0.000 2.269 139 D HA 0.138 4.778 4.640 0.000 0.000 0.244 139 D C 0.164 176.411 176.300 -0.088 0.000 0.992 139 D CA -0.438 53.699 54.000 0.229 0.000 0.894 139 D CB 1.843 42.770 40.800 0.212 0.000 1.248 139 D HN -0.372 nan 8.370 nan 0.000 0.468 140 D N 1.192 121.364 120.400 -0.380 0.000 2.312 140 D HA 0.120 4.760 4.640 0.000 0.000 0.211 140 D C 1.235 177.453 176.300 -0.137 0.000 0.964 140 D CA 1.274 55.011 54.000 -0.437 0.000 0.877 140 D CB -0.058 40.320 40.800 -0.704 0.000 0.924 140 D HN 0.650 nan 8.370 nan 0.000 0.515 141 G N 0.520 109.306 108.800 -0.023 0.000 2.147 141 G HA2 -0.302 3.658 3.960 0.000 0.000 0.244 141 G HA3 -0.302 3.658 3.960 0.000 0.000 0.244 141 G C 0.270 175.193 174.900 0.038 0.000 1.005 141 G CA -0.061 45.048 45.100 0.016 0.000 0.713 141 G HN 0.362 nan 8.290 nan 0.000 0.515 142 I N 0.752 121.358 120.570 0.060 0.000 2.587 142 I HA 0.305 4.475 4.170 0.000 0.000 0.284 142 I C 1.700 177.867 176.117 0.084 0.000 1.134 142 I CA 0.451 61.809 61.300 0.096 0.000 1.410 142 I CB 1.055 39.146 38.000 0.152 0.000 1.392 142 I HN 0.208 nan 8.210 nan 0.000 0.545 143 A N 7.008 129.869 122.820 0.069 0.000 2.030 143 A HA 0.221 4.541 4.320 0.000 0.000 0.215 143 A C 0.467 178.074 177.584 0.038 0.000 1.164 143 A CA 0.701 52.763 52.037 0.041 0.000 0.697 143 A CB 0.208 19.224 19.000 0.026 0.000 0.827 143 A HN 0.578 nan 8.150 nan 0.000 0.457 144 L N -1.861 119.402 121.223 0.066 0.000 2.516 144 L HA 0.599 4.939 4.340 0.000 0.000 0.267 144 L C -1.704 175.242 176.870 0.127 0.000 0.957 144 L CA -0.662 54.216 54.840 0.063 0.000 0.860 144 L CB 1.759 43.828 42.059 0.016 0.000 1.265 144 L HN 0.224 nan 8.230 nan 0.000 0.403 145 Y N 5.244 125.542 120.300 -0.004 0.000 2.326 145 Y HA 0.779 5.329 4.550 0.000 0.000 0.329 145 Y C -1.522 174.376 175.900 -0.003 0.000 0.973 145 Y CA -0.720 57.387 58.100 0.011 0.000 1.162 145 Y CB 1.759 40.233 38.460 0.022 0.000 1.147 145 Y HN 0.405 nan 8.280 nan 0.000 0.456 146 V N 5.626 125.377 119.914 -0.273 0.000 2.407 146 V HA 0.900 5.020 4.120 0.000 0.000 0.291 146 V C -0.618 175.283 176.094 -0.321 0.000 1.018 146 V CA -0.446 61.744 62.300 -0.183 0.000 0.842 146 V CB 1.054 32.816 31.823 -0.102 0.000 0.996 146 V HN 0.894 nan 8.190 nan 0.000 0.426 147 A N 3.409 126.116 122.820 -0.189 0.000 2.488 147 A HA 1.017 5.337 4.320 0.000 0.000 0.298 147 A C -0.095 177.480 177.584 -0.015 0.000 1.044 147 A CA -0.095 51.855 52.037 -0.145 0.000 0.693 147 A CB 1.863 20.776 19.000 -0.144 0.000 1.272 147 A HN 2.169 nan 8.150 nan 0.000 0.402 148 G N 0.816 109.607 108.800 -0.015 0.000 2.627 148 G HA2 0.144 4.104 3.960 0.000 0.000 0.680 148 G HA3 0.144 4.104 3.960 0.000 0.000 0.680 148 G C 0.138 175.037 174.900 -0.000 0.000 1.341 148 G CA 0.155 45.260 45.100 0.008 0.000 0.835 148 G HN 1.020 nan 8.290 nan 0.000 0.643 149 E N -0.250 119.953 120.200 0.005 0.000 2.233 149 E HA -0.190 4.160 4.350 0.000 0.000 0.199 149 E C 1.767 178.368 176.600 0.002 0.000 1.004 149 E CA 1.883 58.285 56.400 0.002 0.000 0.819 149 E CB 0.083 29.786 29.700 0.006 0.000 0.738 149 E HN 0.582 nan 8.360 nan 0.000 0.478 150 Q N -0.857 118.946 119.800 0.006 0.000 2.157 150 Q HA 0.333 4.673 4.340 0.000 0.000 0.229 150 Q C -0.938 175.067 176.000 0.008 0.000 0.827 150 Q CA -0.355 55.452 55.803 0.007 0.000 1.055 150 Q CB 1.742 30.487 28.738 0.011 0.000 1.157 150 Q HN 0.066 nan 8.270 nan 0.000 0.482 151 A N 1.314 124.135 122.820 0.002 0.000 2.274 151 A HA 0.576 4.896 4.320 0.000 0.000 0.309 151 A C -0.560 177.018 177.584 -0.009 0.000 1.226 151 A CA -0.216 51.821 52.037 -0.000 0.000 0.853 151 A CB 0.708 19.705 19.000 -0.004 0.000 1.146 151 A HN 0.210 nan 8.150 nan 0.000 0.518 152 Q N 0.008 119.806 119.800 -0.005 0.000 2.421 152 Q HA 0.747 5.087 4.340 0.000 0.000 0.280 152 Q C -0.967 175.029 176.000 -0.006 0.000 1.085 152 Q CA -0.637 55.161 55.803 -0.008 0.000 0.807 152 Q CB 2.698 31.434 28.738 -0.002 0.000 1.405 152 Q HN 1.116 nan 8.270 nan 0.000 0.419 153 A N 0.946 123.759 122.820 -0.011 0.000 2.517 153 A HA 0.735 5.055 4.320 0.000 0.000 0.297 153 A C -1.295 176.284 177.584 -0.008 0.000 1.050 153 A CA -0.699 51.334 52.037 -0.008 0.000 0.694 153 A CB 1.553 20.543 19.000 -0.016 0.000 1.277 153 A HN 0.637 nan 8.150 nan 0.000 0.400 154 S N 1.404 117.104 115.700 -0.000 0.000 2.659 154 S HA 0.726 5.196 4.470 0.000 0.000 0.312 154 S C -0.827 173.773 174.600 -0.000 0.000 1.114 154 S CA -0.448 57.750 58.200 -0.003 0.000 1.063 154 S CB 0.619 63.819 63.200 -0.001 0.000 0.996 154 S HN 0.514 nan 8.310 nan 0.000 0.478 155 I N 2.762 123.326 120.570 -0.010 0.000 2.359 155 I HA 0.712 4.882 4.170 0.000 0.000 0.294 155 I C 0.166 176.266 176.117 -0.029 0.000 0.987 155 I CA -0.326 60.967 61.300 -0.012 0.000 1.225 155 I CB 1.565 39.556 38.000 -0.015 0.000 1.366 155 I HN 0.956 nan 8.210 nan 0.000 0.466 156 A N 4.132 126.923 122.820 -0.047 0.000 2.381 156 A HA 0.588 4.908 4.320 0.000 0.000 0.299 156 A C -0.334 177.141 177.584 -0.181 0.000 1.049 156 A CA -0.459 51.523 52.037 -0.092 0.000 0.715 156 A CB 0.727 19.678 19.000 -0.082 0.000 1.222 156 A HN 0.827 nan 8.150 nan 0.000 0.428 157 D N 0.894 121.186 120.400 -0.179 0.000 2.870 157 D HA -0.129 4.511 4.640 0.000 0.000 0.228 157 D C 0.278 176.485 176.300 -0.155 0.000 1.147 157 D CA 1.827 55.684 54.000 -0.239 0.000 0.757 157 D CB -1.340 39.105 40.800 -0.593 0.000 1.091 157 D HN 0.486 nan 8.370 nan 0.000 0.429 158 S N -0.663 114.992 115.700 -0.076 0.000 2.739 158 S HA 0.758 5.228 4.470 0.000 0.000 0.306 158 S C 0.395 174.992 174.600 -0.004 0.000 1.115 158 S CA -0.569 57.621 58.200 -0.017 0.000 0.985 158 S CB 2.335 65.536 63.200 0.002 0.000 1.133 158 S HN 0.245 nan 8.310 nan 0.000 0.541 159 T N 0.452 115.014 114.554 0.014 0.000 2.890 159 T HA 0.558 4.908 4.350 0.000 0.000 0.295 159 T C -1.057 173.648 174.700 0.009 0.000 0.993 159 T CA -0.826 61.279 62.100 0.009 0.000 0.979 159 T CB 0.303 69.179 68.868 0.013 0.000 0.967 159 T HN 0.210 nan 8.240 nan 0.000 0.441 160 L N 4.479 125.703 121.223 0.003 0.000 2.265 160 L HA 0.527 4.867 4.340 0.000 0.000 0.289 160 L C 0.341 177.215 176.870 0.007 0.000 1.033 160 L CA -0.292 54.550 54.840 0.003 0.000 0.814 160 L CB 0.499 42.557 42.059 -0.001 0.000 1.203 160 L HN 0.928 nan 8.230 nan 0.000 0.423 161 Q N 1.763 121.569 119.800 0.011 0.000 2.484 161 Q HA 0.908 5.248 4.340 0.000 0.000 0.285 161 Q C -0.409 175.602 176.000 0.018 0.000 1.097 161 Q CA -1.103 54.708 55.803 0.014 0.000 0.802 161 Q CB 3.237 31.982 28.738 0.011 0.000 1.444 161 Q HN 0.673 nan 8.270 nan 0.000 0.429 162 G N -0.533 108.279 108.800 0.020 0.000 2.535 162 G HA2 0.267 4.227 3.960 0.000 0.000 0.662 162 G HA3 0.267 4.227 3.960 0.000 0.000 0.662 162 G C -0.083 174.833 174.900 0.027 0.000 1.417 162 G CA -0.353 44.760 45.100 0.022 0.000 0.866 162 G HN 0.942 nan 8.290 nan 0.000 0.647 163 A N -0.081 122.750 122.820 0.018 0.000 2.259 163 A HA 0.424 4.744 4.320 0.000 0.000 0.212 163 A C 2.166 179.767 177.584 0.027 0.000 1.178 163 A CA 2.377 54.424 52.037 0.017 0.000 0.734 163 A CB -0.214 18.786 19.000 -0.001 0.000 0.774 163 A HN 2.131 nan 8.150 nan 0.000 0.481 164 G N -2.322 106.500 108.800 0.037 0.000 2.944 164 G HA2 0.426 4.386 3.960 0.000 0.000 0.220 164 G HA3 0.426 4.386 3.960 0.000 0.000 0.220 164 G C 1.074 176.055 174.900 0.134 0.000 1.100 164 G CA 0.666 45.801 45.100 0.059 0.000 0.780 164 G HN 1.402 nan 8.290 nan 0.000 0.539 165 G N -0.328 108.532 108.800 0.100 0.000 2.583 165 G HA2 -0.222 3.738 3.960 0.000 0.000 0.292 165 G HA3 -0.222 3.738 3.960 0.000 0.000 0.292 165 G C -0.162 174.788 174.900 0.084 0.000 1.203 165 G CA 0.341 45.491 45.100 0.084 0.000 0.987 165 G HN 0.965 nan 8.290 nan 0.000 0.554 166 V N 0.886 120.834 119.914 0.056 0.000 2.448 166 V HA 0.732 4.852 4.120 0.000 0.000 0.295 166 V C 0.386 176.518 176.094 0.064 0.000 1.025 166 V CA -0.348 61.975 62.300 0.039 0.000 0.859 166 V CB 1.632 33.444 31.823 -0.018 0.000 0.988 166 V HN 0.835 nan 8.190 nan 0.000 0.431 167 R N 3.012 123.553 120.500 0.068 0.000 2.437 167 R HA 0.789 5.129 4.340 0.000 0.000 0.310 167 R C -1.604 174.603 176.300 -0.155 0.000 0.955 167 R CA -0.319 55.800 56.100 0.031 0.000 0.851 167 R CB 1.911 32.294 30.300 0.138 0.000 1.161 167 R HN 0.577 nan 8.270 nan 0.000 0.446 168 V N 4.696 124.532 119.914 -0.130 0.000 2.540 168 V HA 0.522 4.642 4.120 0.000 0.000 0.302 168 V C -0.475 175.531 176.094 -0.148 0.000 1.035 168 V CA -0.559 61.637 62.300 -0.174 0.000 0.873 168 V CB 1.532 33.294 31.823 -0.103 0.000 0.992 168 V HN 0.977 nan 8.190 nan 0.000 0.428 169 E N 3.084 123.172 120.200 -0.187 0.000 2.415 169 E HA 0.576 4.926 4.350 0.000 0.000 0.271 169 E C -0.507 176.050 176.600 -0.072 0.000 1.094 169 E CA -1.330 55.011 56.400 -0.099 0.000 0.881 169 E CB 1.223 30.885 29.700 -0.064 0.000 1.581 169 E HN 0.242 nan 8.360 nan 0.000 0.460 170 R N -0.164 120.323 120.500 -0.021 0.000 3.301 170 R HA -0.226 4.114 4.340 0.000 0.000 0.249 170 R C 0.540 176.834 176.300 -0.011 0.000 0.964 170 R CA 1.065 57.163 56.100 -0.003 0.000 0.653 170 R CB -2.035 28.274 30.300 0.015 0.000 1.043 170 R HN 1.148 nan 8.270 nan 0.000 0.454 171 G N -1.992 106.799 108.800 -0.015 0.000 2.160 171 G HA2 -0.245 3.715 3.960 0.000 0.000 0.244 171 G HA3 -0.245 3.715 3.960 0.000 0.000 0.244 171 G C 0.155 175.042 174.900 -0.021 0.000 1.022 171 G CA 0.252 45.344 45.100 -0.014 0.000 0.741 171 G HN 0.801 nan 8.290 nan 0.000 0.508 172 A N -0.490 122.308 122.820 -0.037 0.000 2.257 172 A HA 0.749 5.069 4.320 0.000 0.000 0.289 172 A C 0.372 177.934 177.584 -0.036 0.000 1.095 172 A CA -0.413 51.600 52.037 -0.041 0.000 0.836 172 A CB 0.613 19.572 19.000 -0.068 0.000 1.111 172 A HN 0.417 nan 8.150 nan 0.000 0.497 173 N N -0.371 118.310 118.700 -0.032 0.000 2.346 173 N HA 0.534 5.274 4.740 0.000 0.000 0.289 173 N C -1.729 173.763 175.510 -0.030 0.000 1.027 173 N CA -0.269 52.764 53.050 -0.028 0.000 0.864 173 N CB 2.113 40.588 38.487 -0.020 0.000 1.370 173 N HN 0.333 nan 8.380 nan 0.000 0.481 174 V N 1.310 121.204 119.914 -0.033 0.000 2.789 174 V HA 0.517 4.637 4.120 0.000 0.000 0.311 174 V C -0.355 175.723 176.094 -0.027 0.000 1.073 174 V CA -0.509 61.772 62.300 -0.032 0.000 0.921 174 V CB 2.287 34.085 31.823 -0.042 0.000 1.009 174 V HN 0.609 nan 8.190 nan 0.000 0.426 175 T N 3.027 117.568 114.554 -0.023 0.000 2.840 175 T HA 0.654 5.004 4.350 0.000 0.000 0.287 175 T C -0.703 173.984 174.700 -0.021 0.000 0.991 175 T CA -0.465 61.623 62.100 -0.020 0.000 0.964 175 T CB 1.613 70.472 68.868 -0.016 0.000 0.954 175 T HN 0.392 nan 8.240 nan 0.000 0.438 176 V N 3.154 123.055 119.914 -0.022 0.000 2.555 176 V HA 0.701 4.821 4.120 0.000 0.000 0.302 176 V C -0.509 175.573 176.094 -0.021 0.000 1.038 176 V CA -0.798 61.488 62.300 -0.023 0.000 0.887 176 V CB 1.824 33.632 31.823 -0.026 0.000 0.991 176 V HN 0.775 nan 8.190 nan 0.000 0.434 177 Q N 2.486 122.271 119.800 -0.026 0.000 2.271 177 Q HA 0.569 4.909 4.340 0.000 0.000 0.268 177 Q C -0.176 175.803 176.000 -0.035 0.000 1.021 177 Q CA -0.627 55.161 55.803 -0.025 0.000 0.802 177 Q CB 1.562 30.284 28.738 -0.027 0.000 1.282 177 Q HN 0.607 nan 8.270 nan 0.000 0.431 178 R N 0.708 121.194 120.500 -0.023 0.000 3.416 178 R HA -0.148 4.192 4.340 0.000 0.000 0.263 178 R C -0.685 175.595 176.300 -0.034 0.000 1.053 178 R CA 1.037 57.122 56.100 -0.025 0.000 0.705 178 R CB -2.288 27.993 30.300 -0.032 0.000 1.124 178 R HN 0.545 nan 8.270 nan 0.000 0.444 179 S N -1.028 114.656 115.700 -0.026 0.000 2.751 179 S HA 0.671 5.141 4.470 0.000 0.000 0.310 179 S C -0.025 174.564 174.600 -0.017 0.000 1.128 179 S CA -0.732 57.452 58.200 -0.026 0.000 0.931 179 S CB 2.365 65.548 63.200 -0.028 0.000 1.177 179 S HN 0.177 nan 8.310 nan 0.000 0.530 180 T N 1.522 116.067 114.554 -0.015 0.000 2.881 180 T HA 0.482 4.833 4.350 0.000 0.000 0.291 180 T C -0.579 174.114 174.700 -0.011 0.000 0.990 180 T CA -0.322 61.770 62.100 -0.014 0.000 0.976 180 T CB 0.477 69.336 68.868 -0.015 0.000 0.970 180 T HN 0.407 nan 8.240 nan 0.000 0.438 181 I N 3.625 124.187 120.570 -0.013 0.000 2.308 181 I HA 0.121 4.291 4.170 0.000 0.000 0.293 181 I C 1.377 177.490 176.117 -0.007 0.000 1.078 181 I CA -0.292 61.000 61.300 -0.012 0.000 1.292 181 I CB 1.059 39.043 38.000 -0.026 0.000 1.423 181 I HN 0.491 nan 8.210 nan 0.000 0.493 182 V N 5.102 125.015 119.914 -0.002 0.000 2.488 182 V HA -0.131 3.989 4.120 0.000 0.000 0.246 182 V C 1.303 177.398 176.094 0.002 0.000 1.046 182 V CA 2.000 64.299 62.300 -0.002 0.000 1.053 182 V CB -0.508 31.315 31.823 0.000 0.000 0.679 182 V HN 0.983 nan 8.190 nan 0.000 0.458 183 D N -2.623 117.784 120.400 0.010 0.000 2.319 183 D HA 0.069 4.709 4.640 0.000 0.000 0.406 183 D C 1.588 177.910 176.300 0.036 0.000 1.087 183 D CA 0.917 54.927 54.000 0.017 0.000 0.945 183 D CB 0.036 40.843 40.800 0.012 0.000 1.430 183 D HN 0.329 nan 8.370 nan 0.000 0.487 184 G N 0.381 109.209 108.800 0.046 0.000 2.762 184 G HA2 0.480 4.440 3.960 0.000 0.000 0.209 184 G HA3 0.480 4.440 3.960 0.000 0.000 0.209 184 G C 1.015 176.004 174.900 0.149 0.000 1.134 184 G CA 0.569 45.724 45.100 0.092 0.000 0.781 184 G HN 0.747 nan 8.290 nan 0.000 0.528 185 G N -0.893 107.926 108.800 0.032 0.000 2.757 185 G HA2 0.152 4.112 3.960 0.000 0.000 0.638 185 G HA3 0.152 4.112 3.960 0.000 0.000 0.638 185 G C -1.018 173.660 174.900 -0.370 0.000 1.344 185 G CA -0.217 44.810 45.100 -0.121 0.000 0.855 185 G HN 1.053 nan 8.290 nan 0.000 0.537 186 L N 0.490 121.341 121.223 -0.620 0.000 2.333 186 L HA 0.871 5.211 4.340 0.000 0.000 0.280 186 L C -0.506 175.908 176.870 -0.761 0.000 1.004 186 L CA -0.864 53.663 54.840 -0.523 0.000 0.820 186 L CB 1.617 43.529 42.059 -0.246 0.000 1.247 186 L HN 0.741 nan 8.230 nan 0.000 0.416 187 H N 5.424 124.479 119.070 -0.026 0.000 2.906 187 H HA 0.617 5.173 4.556 0.000 0.000 0.324 187 H C -1.054 174.253 175.328 -0.035 0.000 0.973 187 H CA -0.418 55.613 56.048 -0.028 0.000 1.321 187 H CB 1.253 31.038 29.762 0.037 0.000 1.535 187 H HN 0.508 nan 8.280 nan 0.000 0.518 188 I N 2.362 122.939 120.570 0.012 0.000 2.433 188 I HA 0.571 4.741 4.170 0.000 0.000 0.292 188 I C 0.878 177.012 176.117 0.029 0.000 1.001 188 I CA -0.368 60.925 61.300 -0.013 0.000 1.119 188 I CB 1.770 39.734 38.000 -0.060 0.000 1.289 188 I HN 0.901 nan 8.210 nan 0.000 0.438 189 G N 4.176 113.010 108.800 0.056 0.000 2.894 189 G HA2 -0.019 3.941 3.960 0.000 0.000 0.247 189 G HA3 -0.019 3.941 3.960 0.000 0.000 0.247 189 G C -0.341 174.696 174.900 0.228 0.000 1.442 189 G CA -0.182 44.987 45.100 0.115 0.000 0.897 189 G HN 0.969 nan 8.290 nan 0.000 0.550 190 T N -2.298 112.382 114.554 0.210 0.000 2.816 190 T HA 0.708 5.058 4.350 0.000 0.000 0.299 190 T C 0.385 175.126 174.700 0.069 0.000 1.230 190 T CA -0.636 61.578 62.100 0.190 0.000 1.007 190 T CB 1.550 70.478 68.868 0.100 0.000 1.289 190 T HN 0.904 nan 8.240 nan 0.000 0.508 191 L N 1.283 122.433 121.223 -0.121 0.000 2.475 191 L HA 0.325 4.665 4.340 0.000 0.000 0.250 191 L C 1.192 178.030 176.870 -0.054 0.000 1.224 191 L CA -0.966 53.795 54.840 -0.131 0.000 0.821 191 L CB 0.326 42.227 42.059 -0.264 0.000 1.141 191 L HN 0.727 nan 8.230 nan 0.000 0.494 192 Q N 3.775 123.551 119.800 -0.041 0.000 2.292 192 Q HA -0.020 4.320 4.340 0.000 0.000 0.290 192 Q C -2.177 173.815 176.000 -0.014 0.000 1.161 192 Q CA -0.799 54.994 55.803 -0.017 0.000 0.974 192 Q CB 0.304 29.034 28.738 -0.014 0.000 1.136 192 Q HN 0.210 nan 8.270 nan 0.000 0.398 193 P HA 0.087 nan 4.420 nan 0.000 0.237 193 P C -0.209 177.097 177.300 0.010 0.000 1.788 193 P CA -0.160 62.946 63.100 0.011 0.000 1.061 193 P CB -0.537 31.179 31.700 0.028 0.000 1.967 194 L N -0.144 121.081 121.223 0.003 0.000 3.717 194 L HA -0.260 4.080 4.340 0.000 0.000 0.414 194 L C 0.448 177.322 176.870 0.006 0.000 1.228 194 L CA 0.853 55.695 54.840 0.004 0.000 0.918 194 L CB -2.248 39.814 42.059 0.006 0.000 1.865 194 L HN 0.509 nan 8.230 nan 0.000 0.922 195 Q N -2.441 117.363 119.800 0.007 0.000 2.829 195 Q HA 0.502 4.842 4.340 0.000 0.000 0.296 195 Q C -3.000 173.006 176.000 0.009 0.000 0.893 195 Q CA -1.659 54.149 55.803 0.008 0.000 0.772 195 Q CB 1.509 30.253 28.738 0.010 0.000 1.489 195 Q HN -0.084 nan 8.270 nan 0.000 0.420 196 P HA 0.085 nan 4.420 nan 0.000 0.268 196 P C -0.517 176.792 177.300 0.014 0.000 1.204 196 P CA 0.219 63.326 63.100 0.012 0.000 0.768 196 P CB 0.426 32.133 31.700 0.011 0.000 0.842 197 E N 1.574 121.784 120.200 0.016 0.000 2.368 197 E HA -0.018 4.332 4.350 0.000 0.000 0.283 197 E C 1.063 177.674 176.600 0.018 0.000 1.476 197 E CA 0.026 56.438 56.400 0.019 0.000 1.786 197 E CB -0.880 28.834 29.700 0.024 0.000 1.518 197 E HN 0.420 nan 8.360 nan 0.000 0.456 198 D N 0.692 121.102 120.400 0.015 0.000 2.558 198 D HA -0.286 4.354 4.640 0.000 0.000 0.190 198 D C 0.990 177.297 176.300 0.011 0.000 1.047 198 D CA 2.299 56.306 54.000 0.012 0.000 0.880 198 D CB 0.045 40.852 40.800 0.012 0.000 0.926 198 D HN 0.439 nan 8.370 nan 0.000 0.465 199 L N -3.499 117.731 121.223 0.011 0.000 1.240 199 L HA 0.073 4.414 4.340 0.000 0.000 0.056 199 L C -2.005 174.870 176.870 0.007 0.000 1.516 199 L CA -0.169 54.677 54.840 0.009 0.000 1.123 199 L CB -0.755 41.308 42.059 0.006 0.000 2.272 199 L HN -0.113 nan 8.230 nan 0.000 0.440 200 P HA 0.090 nan 4.420 nan 0.000 0.256 200 P C -2.455 174.845 177.300 0.000 0.000 1.173 200 P CA -0.293 62.808 63.100 0.002 0.000 0.768 200 P CB -0.161 31.540 31.700 0.002 0.000 0.758 201 P HA 0.044 nan 4.420 nan 0.000 0.271 201 P C -0.463 176.831 177.300 -0.010 0.000 1.216 201 P CA 0.087 63.184 63.100 -0.005 0.000 0.776 201 P CB 0.776 32.472 31.700 -0.006 0.000 0.881 202 S N 2.860 118.552 115.700 -0.013 0.000 2.562 202 S HA 0.373 4.843 4.470 0.000 0.000 0.275 202 S C 0.258 174.843 174.600 -0.025 0.000 1.281 202 S CA -0.662 57.524 58.200 -0.023 0.000 1.045 202 S CB 0.490 63.672 63.200 -0.029 0.000 0.962 202 S HN 0.324 nan 8.310 nan 0.000 0.503 203 R N 1.590 122.074 120.500 -0.028 0.000 2.439 203 R HA 0.590 4.930 4.340 0.000 0.000 0.310 203 R C -1.556 174.725 176.300 -0.032 0.000 0.955 203 R CA -0.630 55.453 56.100 -0.028 0.000 0.853 203 R CB 1.436 31.721 30.300 -0.024 0.000 1.171 203 R HN 0.325 nan 8.270 nan 0.000 0.449 204 V N 3.346 123.240 119.914 -0.034 0.000 2.604 204 V HA 0.454 4.574 4.120 0.000 0.000 0.305 204 V C -0.343 175.733 176.094 -0.029 0.000 1.043 204 V CA -0.861 61.417 62.300 -0.036 0.000 0.888 204 V CB 2.278 34.073 31.823 -0.046 0.000 0.995 204 V HN 0.457 nan 8.190 nan 0.000 0.429 205 V N 5.795 125.693 119.914 -0.026 0.000 2.443 205 V HA 0.475 4.595 4.120 0.000 0.000 0.293 205 V C -0.420 175.664 176.094 -0.018 0.000 1.021 205 V CA -0.444 61.844 62.300 -0.020 0.000 0.848 205 V CB 1.732 33.543 31.823 -0.020 0.000 0.998 205 V HN 0.620 nan 8.190 nan 0.000 0.424 206 L N 4.287 125.502 121.223 -0.013 0.000 2.296 206 L HA 0.717 5.057 4.340 0.000 0.000 0.286 206 L C 0.673 177.543 176.870 -0.001 0.000 1.023 206 L CA -0.316 54.518 54.840 -0.010 0.000 0.812 206 L CB 1.802 43.854 42.059 -0.012 0.000 1.223 206 L HN 0.775 nan 8.230 nan 0.000 0.421 207 G N 1.251 110.049 108.800 -0.003 0.000 2.603 207 G HA2 0.386 4.346 3.960 0.000 0.000 0.324 207 G HA3 0.386 4.346 3.960 0.000 0.000 0.324 207 G C -0.142 174.762 174.900 0.007 0.000 1.178 207 G CA -0.474 44.627 45.100 0.002 0.000 1.023 207 G HN 0.915 nan 8.290 nan 0.000 0.482 208 D N 1.540 121.950 120.400 0.017 0.000 2.956 208 D HA -0.188 4.452 4.640 0.000 0.000 0.206 208 D C 0.645 176.961 176.300 0.026 0.000 1.269 208 D CA 1.087 55.107 54.000 0.032 0.000 0.694 208 D CB -1.442 39.382 40.800 0.041 0.000 0.910 208 D HN 0.511 nan 8.370 nan 0.000 0.389 209 T N -2.183 112.383 114.554 0.020 0.000 2.945 209 T HA 0.675 5.025 4.350 0.000 0.000 0.286 209 T C 0.104 174.824 174.700 0.032 0.000 1.025 209 T CA -0.539 61.569 62.100 0.013 0.000 1.039 209 T CB 1.980 70.846 68.868 -0.004 0.000 1.068 209 T HN 0.658 nan 8.240 nan 0.000 0.497 210 S N 0.861 116.575 115.700 0.024 0.000 2.478 210 S HA 0.645 5.115 4.470 0.000 0.000 0.312 210 S C -0.598 174.012 174.600 0.017 0.000 1.094 210 S CA -0.785 57.440 58.200 0.042 0.000 1.081 210 S CB 1.023 64.237 63.200 0.023 0.000 1.007 210 S HN 0.737 nan 8.310 nan 0.000 0.475 211 V N 3.525 123.453 119.914 0.023 0.000 2.427 211 V HA 0.660 4.780 4.120 0.000 0.000 0.286 211 V C 0.050 176.154 176.094 0.016 0.000 1.034 211 V CA -0.307 61.994 62.300 0.001 0.000 0.893 211 V CB 1.493 33.302 31.823 -0.023 0.000 0.982 211 V HN 1.092 nan 8.190 nan 0.000 0.452 212 T N 2.886 117.444 114.554 0.007 0.000 2.900 212 T HA 0.775 5.125 4.350 0.000 0.000 0.295 212 T C -0.484 174.230 174.700 0.023 0.000 1.044 212 T CA -0.549 61.561 62.100 0.016 0.000 0.995 212 T CB 1.954 70.824 68.868 0.004 0.000 1.072 212 T HN 0.913 nan 8.240 nan 0.000 0.473 213 A N 2.213 125.055 122.820 0.037 0.000 2.522 213 A HA 0.661 4.981 4.320 0.000 0.000 0.285 213 A C -0.124 177.481 177.584 0.034 0.000 1.198 213 A CA -0.605 51.465 52.037 0.055 0.000 0.742 213 A CB 0.404 19.463 19.000 0.099 0.000 1.176 213 A HN 0.709 nan 8.150 nan 0.000 0.444 214 V N 4.630 124.555 119.914 0.019 0.000 2.872 214 V HA 0.072 4.192 4.120 0.000 0.000 0.307 214 V C -0.796 175.301 176.094 0.005 0.000 1.072 214 V CA -0.462 61.839 62.300 0.001 0.000 1.148 214 V CB 0.814 32.636 31.823 -0.002 0.000 0.954 214 V HN 0.822 nan 8.190 nan 0.000 0.490 215 P HA -0.230 nan 4.420 nan 0.000 0.216 215 P C 1.407 178.706 177.300 -0.001 0.000 1.150 215 P CA 2.016 65.112 63.100 -0.007 0.000 0.843 215 P CB 0.114 31.800 31.700 -0.023 0.000 0.787 216 A N 0.767 123.584 122.820 -0.005 0.000 2.032 216 A HA -0.193 4.128 4.320 0.000 0.000 0.221 216 A C 2.383 179.966 177.584 -0.003 0.000 1.165 216 A CA 2.321 54.355 52.037 -0.005 0.000 0.645 216 A CB -1.509 17.486 19.000 -0.007 0.000 0.807 216 A HN 0.432 nan 8.150 nan 0.000 0.453 217 S N -1.403 114.300 115.700 0.006 0.000 2.522 217 S HA 0.306 4.776 4.470 0.000 0.000 0.227 217 S C 1.504 176.106 174.600 0.004 0.000 0.986 217 S CA 1.072 59.277 58.200 0.009 0.000 0.929 217 S CB -0.755 62.463 63.200 0.030 0.000 0.769 217 S HN 1.919 nan 8.310 nan 0.000 0.529 218 G N 1.246 110.052 108.800 0.009 0.000 2.296 218 G HA2 -0.162 3.798 3.960 0.000 0.000 0.282 218 G HA3 -0.162 3.798 3.960 0.000 0.000 0.282 218 G C 0.223 175.132 174.900 0.016 0.000 1.014 218 G CA 0.196 45.300 45.100 0.008 0.000 0.812 218 G HN 1.346 nan 8.290 nan 0.000 0.508 219 A N 0.386 123.231 122.820 0.043 0.000 2.409 219 A HA 0.694 5.014 4.320 0.000 0.000 0.262 219 A C 0.116 177.762 177.584 0.102 0.000 1.113 219 A CA -0.577 51.499 52.037 0.065 0.000 0.790 219 A CB 0.821 19.907 19.000 0.144 0.000 1.046 219 A HN 0.173 nan 8.150 nan 0.000 0.496 220 P HA -0.014 nan 4.420 nan 0.000 0.217 220 P C 0.468 177.869 177.300 0.169 0.000 1.151 220 P CA 1.843 65.017 63.100 0.123 0.000 0.828 220 P CB 0.225 31.992 31.700 0.112 0.000 0.788 221 A N -1.268 121.668 122.820 0.194 0.000 2.401 221 A HA 0.666 4.986 4.320 0.000 0.000 0.310 221 A C 1.241 178.952 177.584 0.211 0.000 1.075 221 A CA -0.025 52.124 52.037 0.188 0.000 0.746 221 A CB 1.388 20.463 19.000 0.125 0.000 1.277 221 A HN 0.040 nan 8.150 nan 0.000 0.425 222 A N 1.063 123.988 122.820 0.176 0.000 1.898 222 A HA 0.345 4.665 4.320 0.000 0.000 0.216 222 A C 0.701 178.281 177.584 -0.007 0.000 1.181 222 A CA 1.714 53.820 52.037 0.116 0.000 0.620 222 A CB -0.270 18.811 19.000 0.135 0.000 0.819 222 A HN 1.081 nan 8.150 nan 0.000 0.442 223 V N 0.710 120.611 119.914 -0.023 0.000 2.531 223 V HA 0.538 4.658 4.120 0.000 0.000 0.301 223 V C -0.509 175.516 176.094 -0.116 0.000 1.034 223 V CA -0.071 62.157 62.300 -0.119 0.000 0.865 223 V CB 1.646 33.411 31.823 -0.096 0.000 0.995 223 V HN 0.522 nan 8.190 nan 0.000 0.424 224 S N 3.768 119.371 115.700 -0.162 0.000 2.538 224 S HA 0.874 5.344 4.470 0.000 0.000 0.288 224 S C -1.160 173.164 174.600 -0.461 0.000 1.108 224 S CA -0.728 57.273 58.200 -0.333 0.000 0.971 224 S CB 2.045 65.086 63.200 -0.264 0.000 1.041 224 S HN 0.470 nan 8.310 nan 0.000 0.483 225 V N 3.369 122.900 119.914 -0.639 0.000 2.462 225 V HA 0.494 4.615 4.120 0.000 0.000 0.288 225 V C -1.345 174.458 176.094 -0.486 0.000 1.020 225 V CA -0.505 61.542 62.300 -0.421 0.000 0.857 225 V CB 0.390 32.086 31.823 -0.211 0.000 1.013 225 V HN 0.914 nan 8.190 nan 0.000 0.431 226 F N 2.391 122.349 119.950 0.015 0.000 2.469 226 F HA 0.839 5.366 4.527 0.000 0.000 0.332 226 F C 1.002 176.804 175.800 0.003 0.000 1.103 226 F CA 0.025 58.030 58.000 0.008 0.000 0.979 226 F CB 2.097 41.105 39.000 0.014 0.000 1.137 226 F HN 0.841 nan 8.300 nan 0.000 0.463 227 G N 1.073 109.989 108.800 0.193 0.000 2.828 227 G HA2 0.036 3.996 3.960 0.000 0.000 0.463 227 G HA3 0.036 3.996 3.960 0.000 0.000 0.463 227 G C -0.248 174.684 174.900 0.053 0.000 1.394 227 G CA -0.664 44.496 45.100 0.100 0.000 0.862 227 G HN 1.280 nan 8.290 nan 0.000 0.540 228 A N 1.205 124.045 122.820 0.033 0.000 3.092 228 A HA 0.455 4.775 4.320 0.000 0.000 0.278 228 A C 0.779 178.367 177.584 0.008 0.000 1.956 228 A CA 0.689 52.735 52.037 0.015 0.000 1.501 228 A CB -0.938 18.068 19.000 0.009 0.000 0.977 228 A HN 0.703 nan 8.150 nan 0.000 0.607 229 N N 0.489 119.190 118.700 0.002 0.000 2.380 229 N HA 0.446 5.186 4.740 0.000 0.000 0.290 229 N C -0.998 174.501 175.510 -0.020 0.000 1.236 229 N CA -0.550 52.495 53.050 -0.009 0.000 0.780 229 N CB 1.547 40.029 38.487 -0.009 0.000 1.438 229 N HN 0.547 nan 8.380 nan 0.000 0.491 230 E N 0.604 120.791 120.200 -0.023 0.000 2.222 230 E HA 0.533 4.883 4.350 0.000 0.000 0.267 230 E C -1.133 175.451 176.600 -0.028 0.000 0.884 230 E CA -0.745 55.642 56.400 -0.023 0.000 0.764 230 E CB 2.573 32.261 29.700 -0.019 0.000 1.169 230 E HN 0.242 nan 8.360 nan 0.000 0.413 231 L N 1.598 122.807 121.223 -0.023 0.000 2.410 231 L HA 0.487 4.827 4.340 0.000 0.000 0.270 231 L C -1.325 175.548 176.870 0.006 0.000 0.983 231 L CA -0.085 54.741 54.840 -0.023 0.000 0.822 231 L CB 2.238 44.271 42.059 -0.044 0.000 1.285 231 L HN 0.454 nan 8.230 nan 0.000 0.409 232 T N 4.192 118.751 114.554 0.008 0.000 2.809 232 T HA 0.588 4.938 4.350 0.000 0.000 0.296 232 T C -0.313 174.407 174.700 0.034 0.000 1.015 232 T CA -0.466 61.659 62.100 0.042 0.000 0.954 232 T CB 1.144 70.016 68.868 0.007 0.000 0.950 232 T HN 0.348 nan 8.240 nan 0.000 0.450 233 V N 2.694 122.637 119.914 0.048 0.000 2.644 233 V HA 0.530 4.650 4.120 0.000 0.000 0.295 233 V C -0.106 176.018 176.094 0.049 0.000 1.053 233 V CA -0.558 61.758 62.300 0.027 0.000 0.987 233 V CB 1.674 33.499 31.823 0.003 0.000 1.006 233 V HN 0.838 nan 8.190 nan 0.000 0.472 234 D N 2.166 122.584 120.400 0.030 0.000 2.328 234 D HA 0.512 5.152 4.640 0.000 0.000 0.243 234 D C 0.094 176.406 176.300 0.020 0.000 1.324 234 D CA 1.020 55.038 54.000 0.031 0.000 0.966 234 D CB 1.109 41.926 40.800 0.028 0.000 1.324 234 D HN 0.983 nan 8.370 nan 0.000 0.549 235 G N 1.585 110.391 108.800 0.010 0.000 2.760 235 G HA2 0.398 4.358 3.960 0.000 0.000 0.246 235 G HA3 0.398 4.358 3.960 0.000 0.000 0.246 235 G C 0.396 175.312 174.900 0.026 0.000 1.359 235 G CA -0.164 44.943 45.100 0.011 0.000 0.861 235 G HN 1.432 nan 8.290 nan 0.000 0.541 236 G N -2.026 106.822 108.800 0.079 0.000 2.787 236 G HA2 0.321 4.281 3.960 0.000 0.000 0.685 236 G HA3 0.321 4.281 3.960 0.000 0.000 0.685 236 G C -0.582 174.422 174.900 0.173 0.000 1.437 236 G CA 0.646 45.864 45.100 0.197 0.000 0.872 236 G HN 2.108 nan 8.290 nan 0.000 0.566 237 H N -0.484 118.586 119.070 0.001 0.000 2.541 237 H HA 0.569 5.125 4.556 0.000 0.000 0.316 237 H C 0.626 175.960 175.328 0.010 0.000 1.043 237 H CA -0.917 55.135 56.048 0.007 0.000 1.232 237 H CB 0.883 30.648 29.762 0.004 0.000 1.406 237 H HN 0.577 nan 8.280 nan 0.000 0.469 238 I N 2.965 123.599 120.570 0.107 0.000 2.322 238 I HA 0.196 4.366 4.170 0.000 0.000 0.292 238 I C 0.623 176.810 176.117 0.117 0.000 1.060 238 I CA 0.036 61.388 61.300 0.087 0.000 1.309 238 I CB 0.537 38.574 38.000 0.060 0.000 1.415 238 I HN 0.513 nan 8.210 nan 0.000 0.492 239 T N 3.773 118.385 114.554 0.097 0.000 2.901 239 T HA 0.820 5.170 4.350 0.000 0.000 0.293 239 T C 0.070 174.801 174.700 0.052 0.000 1.084 239 T CA 0.389 62.532 62.100 0.071 0.000 1.008 239 T CB 1.661 70.551 68.868 0.036 0.000 1.170 239 T HN 1.007 nan 8.240 nan 0.000 0.509 240 G N 0.935 109.726 108.800 -0.016 0.000 2.484 240 G HA2 0.401 4.361 3.960 0.000 0.000 0.225 240 G HA3 0.401 4.361 3.960 0.000 0.000 0.225 240 G C 0.532 175.507 174.900 0.126 0.000 1.250 240 G CA 0.326 45.415 45.100 -0.018 0.000 0.926 240 G HN 2.666 nan 8.290 nan 0.000 0.581 241 G N -1.459 107.441 108.800 0.168 0.000 3.172 241 G HA2 0.315 4.275 3.960 0.000 0.000 0.686 241 G HA3 0.315 4.275 3.960 0.000 0.000 0.686 241 G C 0.413 175.501 174.900 0.313 0.000 1.009 241 G CA 0.987 46.268 45.100 0.302 0.000 0.787 241 G HN 2.158 nan 8.290 nan 0.000 0.559 242 R N 1.894 122.529 120.500 0.226 0.000 2.073 242 R HA 0.238 4.578 4.340 0.000 0.000 0.234 242 R C 2.515 178.983 176.300 0.280 0.000 1.134 242 R CA 3.375 59.582 56.100 0.178 0.000 0.952 242 R CB -0.251 30.117 30.300 0.114 0.000 0.850 242 R HN 1.532 nan 8.270 nan 0.000 0.433 243 A N -1.683 121.307 122.820 0.283 0.000 2.226 243 A HA 0.689 5.009 4.320 0.000 0.000 0.207 243 A C 0.348 177.934 177.584 0.003 0.000 1.293 243 A CA 0.274 52.428 52.037 0.195 0.000 0.968 243 A CB 0.427 19.500 19.000 0.122 0.000 1.044 243 A HN 0.449 nan 8.150 nan 0.000 0.493 244 A N -1.889 120.927 122.820 -0.007 0.000 2.594 244 A HA 0.618 4.938 4.320 0.000 0.000 0.291 244 A C 0.829 178.388 177.584 -0.041 0.000 1.105 244 A CA 0.161 51.987 52.037 -0.350 0.000 0.694 244 A CB 0.306 19.233 19.000 -0.121 0.000 1.291 244 A HN 0.655 nan 8.150 nan 0.000 0.410 245 G N -0.620 108.047 108.800 -0.222 0.000 2.471 245 G HA2 0.398 4.358 3.960 0.000 0.000 0.211 245 G HA3 0.398 4.358 3.960 0.000 0.000 0.211 245 G C 0.011 174.950 174.900 0.065 0.000 1.194 245 G CA 0.958 46.191 45.100 0.221 0.000 0.816 245 G HN 0.929 nan 8.290 nan 0.000 0.545 246 V N 0.976 120.862 119.914 -0.047 0.000 2.495 246 V HA 0.727 4.847 4.120 0.000 0.000 0.298 246 V C -0.412 175.623 176.094 -0.098 0.000 1.031 246 V CA -0.703 61.558 62.300 -0.066 0.000 0.871 246 V CB 1.372 33.152 31.823 -0.071 0.000 0.988 246 V HN 0.508 nan 8.190 nan 0.000 0.432 247 A N 4.083 126.837 122.820 -0.111 0.000 2.311 247 A HA 0.915 5.235 4.320 0.000 0.000 0.306 247 A C -0.185 177.280 177.584 -0.200 0.000 1.189 247 A CA -0.341 51.626 52.037 -0.117 0.000 0.791 247 A CB 1.221 20.193 19.000 -0.046 0.000 1.172 247 A HN 1.269 nan 8.150 nan 0.000 0.481 248 A N 3.052 125.793 122.820 -0.131 0.000 2.330 248 A HA 0.871 5.191 4.320 0.000 0.000 0.313 248 A C -0.536 177.028 177.584 -0.034 0.000 1.124 248 A CA -0.358 51.606 52.037 -0.122 0.000 0.774 248 A CB 0.940 19.883 19.000 -0.096 0.000 1.198 248 A HN 1.001 nan 8.150 nan 0.000 0.465 249 M N 1.210 120.826 119.600 0.026 0.000 2.578 249 M HA 0.329 4.809 4.480 0.000 0.000 0.276 249 M C -1.026 175.362 176.300 0.146 0.000 1.245 249 M CA -0.146 55.240 55.300 0.143 0.000 0.871 249 M CB 2.254 35.069 32.600 0.359 0.000 1.722 249 M HN 0.877 nan 8.290 nan 0.000 0.473 250 D N 1.864 122.324 120.400 0.100 0.000 2.737 250 D HA -0.146 4.494 4.640 0.000 0.000 0.233 250 D C 0.393 176.723 176.300 0.050 0.000 1.155 250 D CA 2.276 56.318 54.000 0.070 0.000 0.667 250 D CB -0.773 40.076 40.800 0.082 0.000 1.060 250 D HN 1.092 nan 8.370 nan 0.000 0.427 251 G N -2.493 106.324 108.800 0.029 0.000 2.141 251 G HA2 0.091 4.051 3.960 0.000 0.000 0.164 251 G HA3 0.091 4.051 3.960 0.000 0.000 0.164 251 G C 0.377 175.281 174.900 0.006 0.000 1.009 251 G CA 0.040 45.147 45.100 0.011 0.000 0.677 251 G HN 0.945 nan 8.290 nan 0.000 0.508 252 A N -0.279 122.543 122.820 0.003 0.000 2.366 252 A HA 0.767 5.087 4.320 0.000 0.000 0.249 252 A C 0.331 177.902 177.584 -0.021 0.000 1.084 252 A CA 0.213 52.241 52.037 -0.015 0.000 0.794 252 A CB 0.414 19.390 19.000 -0.039 0.000 1.034 252 A HN 0.906 nan 8.150 nan 0.000 0.491 253 I N 1.856 122.413 120.570 -0.021 0.000 2.448 253 I HA 0.295 4.465 4.170 0.000 0.000 0.281 253 I C -1.034 175.077 176.117 -0.009 0.000 1.027 253 I CA -0.371 60.922 61.300 -0.013 0.000 1.111 253 I CB 1.734 39.730 38.000 -0.006 0.000 1.236 253 I HN 0.258 nan 8.210 nan 0.000 0.452 254 V N 5.157 125.064 119.914 -0.011 0.000 2.448 254 V HA 0.354 4.474 4.120 0.000 0.000 0.295 254 V C -0.300 175.809 176.094 0.026 0.000 1.025 254 V CA -0.606 61.689 62.300 -0.008 0.000 0.859 254 V CB 1.774 33.568 31.823 -0.049 0.000 0.988 254 V HN 0.592 nan 8.190 nan 0.000 0.431 255 H N 6.094 125.138 119.070 -0.044 0.000 2.685 255 H HA 0.522 5.078 4.556 0.000 0.000 0.307 255 H C -1.387 173.918 175.328 -0.038 0.000 1.017 255 H CA -0.536 55.488 56.048 -0.038 0.000 1.237 255 H CB 1.299 31.041 29.762 -0.033 0.000 1.409 255 H HN 0.523 nan 8.280 nan 0.000 0.488 256 L N 5.129 126.199 121.223 -0.255 0.000 2.272 256 L HA 0.338 4.678 4.340 0.000 0.000 0.289 256 L C 0.047 176.795 176.870 -0.203 0.000 1.032 256 L CA -0.320 54.430 54.840 -0.150 0.000 0.810 256 L CB 1.647 43.632 42.059 -0.123 0.000 1.205 256 L HN 0.502 nan 8.230 nan 0.000 0.422 257 Q N 3.499 123.263 119.800 -0.059 0.000 2.321 257 Q HA 0.403 4.743 4.340 0.000 0.000 0.270 257 Q C 0.086 176.076 176.000 -0.017 0.000 1.032 257 Q CA -0.670 55.118 55.803 -0.025 0.000 0.784 257 Q CB 1.396 30.199 28.738 0.109 0.000 1.264 257 Q HN 0.530 nan 8.270 nan 0.000 0.448 258 R N 0.781 121.261 120.500 -0.033 0.000 4.000 258 R HA -0.259 4.081 4.340 0.000 0.000 0.348 258 R C -0.640 175.621 176.300 -0.065 0.000 1.204 258 R CA 0.757 56.833 56.100 -0.039 0.000 0.987 258 R CB -1.617 28.672 30.300 -0.018 0.000 1.446 258 R HN 0.644 nan 8.270 nan 0.000 0.555 259 A N 0.630 123.410 122.820 -0.066 0.000 2.407 259 A HA 0.366 4.686 4.320 0.000 0.000 0.248 259 A C 0.520 178.033 177.584 -0.118 0.000 1.082 259 A CA 0.792 52.781 52.037 -0.081 0.000 0.785 259 A CB 0.752 19.719 19.000 -0.054 0.000 1.020 259 A HN 0.253 nan 8.150 nan 0.000 0.489 260 T N 1.665 116.110 114.554 -0.182 0.000 2.815 260 T HA 0.594 4.944 4.350 0.000 0.000 0.289 260 T C -0.756 173.905 174.700 -0.064 0.000 1.000 260 T CA -0.397 61.598 62.100 -0.175 0.000 0.958 260 T CB -0.156 68.517 68.868 -0.325 0.000 0.944 260 T HN 0.412 nan 8.240 nan 0.000 0.442 261 I N 5.171 125.751 120.570 0.017 0.000 2.359 261 I HA 0.504 4.674 4.170 0.000 0.000 0.284 261 I C 0.517 176.755 176.117 0.201 0.000 1.018 261 I CA -0.711 60.659 61.300 0.118 0.000 1.173 261 I CB 1.109 39.179 38.000 0.117 0.000 1.326 261 I HN 0.487 nan 8.210 nan 0.000 0.462 262 R N 3.529 124.129 120.500 0.167 0.000 2.919 262 R HA 0.512 4.853 4.340 0.000 0.000 0.260 262 R C 0.937 177.093 176.300 -0.241 0.000 1.067 262 R CA -0.860 55.272 56.100 0.052 0.000 1.003 262 R CB 2.002 32.292 30.300 -0.016 0.000 1.192 262 R HN 0.446 nan 8.270 nan 0.000 0.488 263 R N 0.341 120.380 120.500 -0.768 0.000 2.140 263 R HA 0.087 4.428 4.340 0.000 0.000 0.213 263 R C 0.266 176.223 176.300 -0.572 0.000 1.059 263 R CA 1.220 56.546 56.100 -1.290 0.000 1.000 263 R CB 0.036 29.352 30.300 -1.639 0.000 0.910 263 R HN 0.890 nan 8.270 nan 0.000 0.455 293 W N 3.303 124.342 121.300 -0.435 0.000 2.218 293 W HA 0.697 5.357 4.660 0.000 0.000 0.326 293 W C -0.986 175.220 176.519 -0.522 0.000 1.276 293 W CA -0.205 56.904 57.345 -0.394 0.000 1.210 293 W CB 0.635 29.995 29.460 -0.167 0.000 1.143 293 W HN 0.421 nan 8.180 nan 0.000 0.563 294 Y N 3.976 123.756 120.300 -0.866 0.000 2.429 294 Y HA 0.437 4.987 4.550 0.000 0.000 0.342 294 Y C 1.131 176.113 175.900 -1.530 0.000 1.004 294 Y CA -0.490 57.110 58.100 -0.833 0.000 1.075 294 Y CB 1.492 39.666 38.460 -0.478 0.000 1.214 294 Y HN 0.581 nan 8.280 nan 0.000 0.455 295 G N 1.084 109.424 108.800 -0.767 0.000 2.454 295 G HA2 0.057 4.017 3.960 0.000 0.000 0.214 295 G HA3 0.057 4.017 3.960 0.000 0.000 0.214 295 G C -0.208 174.479 174.900 -0.356 0.000 1.217 295 G CA 0.527 45.270 45.100 -0.595 0.000 0.799 295 G HN 0.361 nan 8.290 nan 0.000 0.538 296 V N 0.762 120.544 119.914 -0.220 0.000 2.555 296 V HA 0.511 4.631 4.120 0.000 0.000 0.302 296 V C -1.391 174.592 176.094 -0.184 0.000 1.038 296 V CA -0.801 61.398 62.300 -0.168 0.000 0.887 296 V CB 1.949 33.697 31.823 -0.123 0.000 0.991 296 V HN 0.291 nan 8.190 nan 0.000 0.434 297 D N 2.933 123.232 120.400 -0.168 0.000 2.620 297 D HA 0.548 5.188 4.640 0.000 0.000 0.252 297 D C -1.202 175.019 176.300 -0.132 0.000 1.207 297 D CA -0.064 53.822 54.000 -0.189 0.000 0.884 297 D CB 2.122 42.818 40.800 -0.173 0.000 1.262 297 D HN 0.270 nan 8.370 nan 0.000 0.552 298 V N 1.956 121.790 119.914 -0.133 0.000 2.555 298 V HA 0.674 4.794 4.120 0.000 0.000 0.302 298 V C 0.134 176.184 176.094 -0.073 0.000 1.038 298 V CA -0.697 61.549 62.300 -0.090 0.000 0.887 298 V CB 1.903 33.673 31.823 -0.088 0.000 0.991 298 V HN 0.519 nan 8.190 nan 0.000 0.434 299 S N 2.244 117.923 115.700 -0.036 0.000 2.557 299 S HA 0.324 4.794 4.470 0.000 0.000 0.291 299 S C -0.501 174.092 174.600 -0.013 0.000 1.116 299 S CA -0.735 57.452 58.200 -0.022 0.000 0.992 299 S CB 1.182 64.382 63.200 0.000 0.000 1.028 299 S HN 1.132 nan 8.310 nan 0.000 0.484 300 D N 2.147 122.534 120.400 -0.022 0.000 5.309 300 D HA -0.171 4.469 4.640 0.000 0.000 0.182 300 D C -0.502 175.786 176.300 -0.021 0.000 1.247 300 D CA 0.976 54.960 54.000 -0.027 0.000 0.736 300 D CB -0.881 39.901 40.800 -0.031 0.000 1.212 300 D HN 0.174 nan 8.370 nan 0.000 0.637 301 S N 0.230 115.913 115.700 -0.028 0.000 2.651 301 S HA 0.573 5.043 4.470 0.000 0.000 0.279 301 S C -0.504 174.075 174.600 -0.036 0.000 1.148 301 S CA -0.870 57.314 58.200 -0.027 0.000 0.837 301 S CB 2.205 65.390 63.200 -0.025 0.000 1.138 301 S HN 0.324 nan 8.310 nan 0.000 0.478 302 T N 1.863 116.398 114.554 -0.031 0.000 2.749 302 T HA 0.599 4.949 4.350 0.000 0.000 0.287 302 T C -0.858 173.821 174.700 -0.035 0.000 0.970 302 T CA -0.330 61.751 62.100 -0.031 0.000 0.980 302 T CB 0.718 69.574 68.868 -0.020 0.000 0.924 302 T HN 0.321 nan 8.240 nan 0.000 0.456 303 V N 3.720 123.605 119.914 -0.048 0.000 2.531 303 V HA 0.423 4.544 4.120 0.000 0.000 0.301 303 V C -0.849 175.199 176.094 -0.077 0.000 1.034 303 V CA -0.952 61.310 62.300 -0.062 0.000 0.865 303 V CB 2.162 33.939 31.823 -0.077 0.000 0.995 303 V HN 0.842 nan 8.190 nan 0.000 0.424 304 D N 4.239 124.575 120.400 -0.106 0.000 2.425 304 D HA 0.635 5.275 4.640 0.000 0.000 0.240 304 D C -0.890 175.242 176.300 -0.281 0.000 1.080 304 D CA -0.228 53.670 54.000 -0.169 0.000 0.836 304 D CB 1.794 42.506 40.800 -0.147 0.000 1.125 304 D HN 0.267 nan 8.370 nan 0.000 0.525 305 L N 2.196 123.297 121.223 -0.204 0.000 2.272 305 L HA 0.691 5.031 4.340 0.000 0.000 0.289 305 L C -0.088 176.672 176.870 -0.184 0.000 1.032 305 L CA -0.514 54.208 54.840 -0.198 0.000 0.810 305 L CB 1.553 43.538 42.059 -0.123 0.000 1.205 305 L HN 0.440 nan 8.230 nan 0.000 0.422 306 A N 2.752 125.451 122.820 -0.202 0.000 2.310 306 A HA 0.633 4.953 4.320 0.000 0.000 0.304 306 A C -0.113 177.432 177.584 -0.065 0.000 1.231 306 A CA -0.466 51.503 52.037 -0.114 0.000 0.799 306 A CB 0.698 19.646 19.000 -0.086 0.000 1.162 306 A HN 0.737 nan 8.150 nan 0.000 0.486 307 Q N 0.475 120.247 119.800 -0.047 0.000 2.451 307 Q HA -0.147 4.193 4.340 0.000 0.000 0.305 307 Q C 0.176 176.150 176.000 -0.044 0.000 1.345 307 Q CA 1.431 57.213 55.803 -0.034 0.000 0.854 307 Q CB -2.150 26.576 28.738 -0.019 0.000 1.162 307 Q HN 0.706 nan 8.270 nan 0.000 0.440 308 S N -0.531 115.136 115.700 -0.055 0.000 2.704 308 S HA 0.837 5.307 4.470 0.000 0.000 0.305 308 S C 0.178 174.748 174.600 -0.049 0.000 1.107 308 S CA -0.826 57.338 58.200 -0.061 0.000 0.993 308 S CB 1.375 64.531 63.200 -0.073 0.000 1.110 308 S HN 0.317 nan 8.310 nan 0.000 0.534 309 I N 1.316 121.855 120.570 -0.050 0.000 2.433 309 I HA 0.525 4.695 4.170 0.000 0.000 0.292 309 I C -1.171 174.940 176.117 -0.010 0.000 1.001 309 I CA -0.673 60.608 61.300 -0.031 0.000 1.119 309 I CB 1.848 39.825 38.000 -0.038 0.000 1.289 309 I HN 0.198 nan 8.210 nan 0.000 0.438 310 V N 5.363 125.284 119.914 0.011 0.000 2.525 310 V HA 0.383 4.503 4.120 0.000 0.000 0.299 310 V C -0.592 175.546 176.094 0.072 0.000 1.034 310 V CA -0.594 61.734 62.300 0.048 0.000 0.863 310 V CB 1.808 33.646 31.823 0.025 0.000 0.999 310 V HN 0.694 nan 8.190 nan 0.000 0.423 311 E N 3.140 123.414 120.200 0.122 0.000 2.176 311 E HA 0.775 5.125 4.350 0.000 0.000 0.267 311 E C -0.449 176.285 176.600 0.223 0.000 0.893 311 E CA -0.461 56.012 56.400 0.120 0.000 0.761 311 E CB 2.308 32.052 29.700 0.073 0.000 1.133 311 E HN 0.823 nan 8.360 nan 0.000 0.409 312 A N 4.164 127.098 122.820 0.190 0.000 2.340 312 A HA 0.742 5.062 4.320 0.000 0.000 0.331 312 A C -2.409 175.277 177.584 0.170 0.000 1.140 312 A CA -1.475 50.722 52.037 0.266 0.000 0.801 312 A CB 0.837 19.960 19.000 0.204 0.000 1.234 312 A HN 0.412 nan 8.150 nan 0.000 0.469 313 P HA 0.202 nan 4.420 nan 0.000 0.284 313 P C 0.439 177.828 177.300 0.149 0.000 1.292 313 P CA -0.329 62.848 63.100 0.129 0.000 0.800 313 P CB 0.565 32.311 31.700 0.076 0.000 1.188 314 Q N 1.135 121.054 119.800 0.198 0.000 2.047 314 Q HA -0.204 4.136 4.340 0.000 0.000 0.211 314 Q C 1.944 178.000 176.000 0.093 0.000 1.005 314 Q CA 2.370 58.291 55.803 0.197 0.000 0.866 314 Q CB -2.174 26.609 28.738 0.074 0.000 0.938 314 Q HN 0.660 nan 8.270 nan 0.000 0.414 315 L N -1.503 119.746 121.223 0.043 0.000 2.093 315 L HA 0.202 4.543 4.340 0.000 0.000 0.208 315 L C 1.562 178.413 176.870 -0.032 0.000 1.085 315 L CA 1.366 56.205 54.840 -0.001 0.000 0.755 315 L CB -0.972 41.075 42.059 -0.020 0.000 0.904 315 L HN 0.211 nan 8.230 nan 0.000 0.435 316 G N -0.342 108.440 108.800 -0.031 0.000 2.641 316 G HA2 0.667 4.627 3.960 0.000 0.000 0.239 316 G HA3 0.667 4.627 3.960 0.000 0.000 0.239 316 G C -1.033 173.877 174.900 0.016 0.000 1.402 316 G CA -0.174 44.844 45.100 -0.136 0.000 1.046 316 G HN 0.530 nan 8.290 nan 0.000 0.565 317 A N -2.563 120.324 122.820 0.112 0.000 2.515 317 A HA 0.735 5.055 4.320 0.000 0.000 0.296 317 A C 0.832 178.510 177.584 0.157 0.000 1.094 317 A CA 0.355 52.505 52.037 0.188 0.000 0.718 317 A CB 1.346 20.485 19.000 0.233 0.000 1.307 317 A HN 1.571 nan 8.150 nan 0.000 0.408 318 A N 0.400 123.269 122.820 0.082 0.000 1.970 318 A HA 0.453 4.773 4.320 0.000 0.000 0.216 318 A C 0.607 178.177 177.584 -0.022 0.000 1.170 318 A CA 1.150 53.207 52.037 0.034 0.000 0.645 318 A CB -0.205 18.813 19.000 0.031 0.000 0.816 318 A HN 0.687 nan 8.150 nan 0.000 0.447 319 I N -1.035 119.516 120.570 -0.031 0.000 2.607 319 I HA 0.344 4.514 4.170 0.000 0.000 0.290 319 I C -0.445 175.579 176.117 -0.155 0.000 1.129 319 I CA -0.561 60.681 61.300 -0.096 0.000 1.042 319 I CB 2.256 40.203 38.000 -0.088 0.000 1.242 319 I HN 0.148 nan 8.210 nan 0.000 0.421 320 R N 4.847 125.178 120.500 -0.282 0.000 2.437 320 R HA 0.869 5.209 4.340 0.000 0.000 0.310 320 R C -1.368 174.779 176.300 -0.255 0.000 0.955 320 R CA -0.361 55.516 56.100 -0.371 0.000 0.851 320 R CB 1.856 31.681 30.300 -0.791 0.000 1.161 320 R HN 0.758 nan 8.270 nan 0.000 0.446 321 A N 2.407 125.117 122.820 -0.184 0.000 2.435 321 A HA 0.878 5.198 4.320 0.000 0.000 0.304 321 A C -0.859 176.659 177.584 -0.111 0.000 1.064 321 A CA -0.419 51.538 52.037 -0.134 0.000 0.727 321 A CB 2.066 21.002 19.000 -0.106 0.000 1.284 321 A HN 0.874 nan 8.150 nan 0.000 0.415 322 G N -0.642 108.105 108.800 -0.088 0.000 2.554 322 G HA2 0.511 4.471 3.960 0.000 0.000 0.306 322 G HA3 0.511 4.471 3.960 0.000 0.000 0.306 322 G C -0.059 174.814 174.900 -0.045 0.000 1.320 322 G CA -0.088 44.974 45.100 -0.064 0.000 0.800 322 G HN 1.170 nan 8.290 nan 0.000 0.481 323 R N -1.105 119.378 120.500 -0.028 0.000 3.722 323 R HA -0.200 4.140 4.340 0.000 0.000 0.284 323 R C 1.203 177.488 176.300 -0.025 0.000 1.165 323 R CA 1.735 57.827 56.100 -0.014 0.000 0.779 323 R CB -1.422 28.874 30.300 -0.007 0.000 1.179 323 R HN 2.578 nan 8.270 nan 0.000 0.491 324 G N -2.526 106.253 108.800 -0.036 0.000 2.164 324 G HA2 -0.150 3.810 3.960 0.000 0.000 0.212 324 G HA3 -0.150 3.810 3.960 0.000 0.000 0.212 324 G C 0.169 175.039 174.900 -0.051 0.000 1.031 324 G CA 0.236 45.308 45.100 -0.048 0.000 0.730 324 G HN 0.745 nan 8.290 nan 0.000 0.501 325 A N -0.251 122.538 122.820 -0.051 0.000 2.346 325 A HA 0.799 5.119 4.320 0.000 0.000 0.255 325 A C 0.840 178.391 177.584 -0.055 0.000 1.113 325 A CA 0.166 52.171 52.037 -0.054 0.000 0.798 325 A CB 0.446 19.409 19.000 -0.062 0.000 1.073 325 A HN 0.559 nan 8.150 nan 0.000 0.502 326 R N -0.148 120.320 120.500 -0.054 0.000 2.575 326 R HA 0.418 4.758 4.340 0.000 0.000 0.292 326 R C -1.932 174.336 176.300 -0.054 0.000 1.246 326 R CA -0.285 55.784 56.100 -0.051 0.000 0.973 326 R CB 1.569 31.843 30.300 -0.043 0.000 1.187 326 R HN 0.450 nan 8.270 nan 0.000 0.478 327 V N 2.097 121.975 119.914 -0.061 0.000 2.459 327 V HA 0.505 4.626 4.120 0.000 0.000 0.295 327 V C 0.206 176.262 176.094 -0.062 0.000 1.029 327 V CA -0.564 61.696 62.300 -0.066 0.000 0.874 327 V CB 2.115 33.892 31.823 -0.077 0.000 0.985 327 V HN 0.575 nan 8.190 nan 0.000 0.438 328 T N 3.800 118.316 114.554 -0.063 0.000 2.812 328 T HA 0.555 4.905 4.350 0.000 0.000 0.282 328 T C -0.515 174.143 174.700 -0.071 0.000 0.990 328 T CA -0.398 61.667 62.100 -0.059 0.000 0.960 328 T CB 1.665 70.506 68.868 -0.045 0.000 0.948 328 T HN 0.359 nan 8.240 nan 0.000 0.438 329 V N 3.927 123.803 119.914 -0.063 0.000 2.284 329 V HA 0.370 4.490 4.120 0.000 0.000 0.274 329 V C 0.055 176.118 176.094 -0.050 0.000 1.023 329 V CA -0.913 61.349 62.300 -0.064 0.000 0.808 329 V CB 0.933 32.721 31.823 -0.058 0.000 1.035 329 V HN 1.029 nan 8.190 nan 0.000 0.445 330 S N 3.294 118.963 115.700 -0.052 0.000 2.422 330 S HA 0.823 5.293 4.470 0.000 0.000 0.298 330 S C 0.630 175.211 174.600 -0.032 0.000 1.118 330 S CA 0.013 58.193 58.200 -0.034 0.000 1.083 330 S CB 1.266 64.452 63.200 -0.022 0.000 0.971 330 S HN 1.696 nan 8.310 nan 0.000 0.478 331 G N 2.563 111.349 108.800 -0.023 0.000 2.642 331 G HA2 0.318 4.278 3.960 0.000 0.000 0.231 331 G HA3 0.318 4.278 3.960 0.000 0.000 0.231 331 G C 0.479 175.365 174.900 -0.024 0.000 1.338 331 G CA -0.248 44.840 45.100 -0.019 0.000 0.883 331 G HN 2.290 nan 8.290 nan 0.000 0.570 332 G N -1.466 107.321 108.800 -0.022 0.000 2.598 332 G HA2 0.325 4.285 3.960 0.000 0.000 0.269 332 G HA3 0.325 4.285 3.960 0.000 0.000 0.269 332 G C 0.528 175.417 174.900 -0.018 0.000 1.289 332 G CA 1.476 46.561 45.100 -0.024 0.000 0.926 332 G HN 2.744 nan 8.290 nan 0.000 0.567 333 S N -1.288 114.401 115.700 -0.018 0.000 2.540 333 S HA 0.710 5.180 4.470 0.000 0.000 0.275 333 S C -0.865 173.730 174.600 -0.008 0.000 1.123 333 S CA -0.486 57.708 58.200 -0.010 0.000 0.907 333 S CB 1.389 64.586 63.200 -0.006 0.000 1.081 333 S HN 1.247 nan 8.310 nan 0.000 0.476 334 L N 3.826 125.048 121.223 -0.003 0.000 2.377 334 L HA 0.604 4.944 4.340 0.000 0.000 0.270 334 L C -0.016 176.861 176.870 0.012 0.000 0.991 334 L CA -0.700 54.142 54.840 0.004 0.000 0.851 334 L CB 1.755 43.812 42.059 -0.005 0.000 1.218 334 L HN 0.745 nan 8.230 nan 0.000 0.420 335 S N 2.400 118.112 115.700 0.019 0.000 2.593 335 S HA 0.884 5.354 4.470 0.000 0.000 0.297 335 S C 0.003 174.619 174.600 0.026 0.000 1.112 335 S CA -0.086 58.123 58.200 0.015 0.000 1.043 335 S CB 2.220 65.422 63.200 0.005 0.000 1.054 335 S HN 0.742 nan 8.310 nan 0.000 0.516 336 A N 3.535 126.362 122.820 0.012 0.000 3.455 336 A HA 0.550 4.870 4.320 0.000 0.000 0.225 336 A C -2.179 175.390 177.584 -0.025 0.000 1.052 336 A CA -0.880 51.170 52.037 0.022 0.000 1.005 336 A CB -0.047 18.982 19.000 0.048 0.000 1.318 336 A HN 0.595 nan 8.150 nan 0.000 0.639 337 P HA -0.253 nan 4.420 nan 0.000 0.219 337 P C 0.997 178.144 177.300 -0.255 0.000 1.159 337 P CA 2.195 65.136 63.100 -0.265 0.000 0.944 337 P CB -0.023 31.369 31.700 -0.513 0.000 0.792 338 H N -2.511 116.584 119.070 0.042 0.000 2.497 338 H HA 0.238 4.794 4.556 0.000 0.000 0.282 338 H C 1.607 176.963 175.328 0.047 0.000 1.003 338 H CA 0.703 56.775 56.048 0.040 0.000 1.307 338 H CB -0.420 29.360 29.762 0.029 0.000 1.437 338 H HN 0.178 nan 8.280 nan 0.000 0.544 339 G N -0.151 108.727 108.800 0.130 0.000 2.945 339 G HA2 0.156 4.116 3.960 0.000 0.000 0.156 339 G HA3 0.156 4.116 3.960 0.000 0.000 0.156 339 G C -0.311 174.646 174.900 0.096 0.000 1.375 339 G CA -0.713 44.450 45.100 0.105 0.000 1.039 339 G HN 0.098 nan 8.290 nan 0.000 0.586 340 N N -0.656 118.099 118.700 0.092 0.000 2.492 340 N HA 0.356 5.096 4.740 0.000 0.000 0.289 340 N C 1.112 176.666 175.510 0.073 0.000 1.133 340 N CA -0.603 52.507 53.050 0.100 0.000 0.961 340 N CB 2.194 40.750 38.487 0.116 0.000 1.186 340 N HN 0.054 nan 8.380 nan 0.000 0.493 341 V N 0.407 120.353 119.914 0.054 0.000 2.500 341 V HA 0.208 4.328 4.120 0.000 0.000 0.243 341 V C 0.759 176.859 176.094 0.010 0.000 1.039 341 V CA 1.038 63.354 62.300 0.027 0.000 1.053 341 V CB -0.096 31.733 31.823 0.010 0.000 0.695 341 V HN 0.539 nan 8.190 nan 0.000 0.463 342 I N -0.233 120.340 120.570 0.006 0.000 2.569 342 I HA 0.451 4.621 4.170 0.000 0.000 0.290 342 I C -0.711 175.410 176.117 0.006 0.000 1.088 342 I CA -0.263 61.024 61.300 -0.021 0.000 1.047 342 I CB 2.638 40.604 38.000 -0.056 0.000 1.237 342 I HN 0.080 nan 8.210 nan 0.000 0.421 343 E N 3.211 123.392 120.200 -0.032 0.000 2.238 343 E HA 0.573 4.923 4.350 0.000 0.000 0.267 343 E C -1.082 175.476 176.600 -0.070 0.000 0.887 343 E CA -0.689 55.697 56.400 -0.024 0.000 0.769 343 E CB 2.640 32.297 29.700 -0.071 0.000 1.187 343 E HN 0.646 nan 8.360 nan 0.000 0.416 344 T N -0.281 114.260 114.554 -0.023 0.000 2.840 344 T HA 0.734 5.084 4.350 0.000 0.000 0.287 344 T C 0.331 175.014 174.700 -0.029 0.000 0.991 344 T CA -0.020 62.054 62.100 -0.042 0.000 0.964 344 T CB 1.411 70.259 68.868 -0.033 0.000 0.954 344 T HN 0.790 nan 8.240 nan 0.000 0.438 345 G N 1.360 110.128 108.800 -0.053 0.000 2.582 345 G HA2 0.400 4.360 3.960 0.000 0.000 0.222 345 G HA3 0.400 4.360 3.960 0.000 0.000 0.222 345 G C 0.232 175.105 174.900 -0.045 0.000 1.311 345 G CA 0.103 45.181 45.100 -0.036 0.000 0.915 345 G HN 2.630 nan 8.290 nan 0.000 0.528 346 G N -2.140 106.646 108.800 -0.024 0.000 2.871 346 G HA2 0.590 4.550 3.960 0.000 0.000 0.262 346 G HA3 0.590 4.550 3.960 0.000 0.000 0.262 346 G C 1.401 176.289 174.900 -0.020 0.000 1.126 346 G CA 0.906 45.994 45.100 -0.020 0.000 1.130 346 G HN 3.094 nan 8.290 nan 0.000 0.549 347 G N -1.241 107.553 108.800 -0.010 0.000 2.500 347 G HA2 0.553 4.513 3.960 0.000 0.000 0.227 347 G HA3 0.553 4.513 3.960 0.000 0.000 0.227 347 G C 0.584 175.484 174.900 -0.000 0.000 1.157 347 G CA 1.060 46.155 45.100 -0.007 0.000 0.945 347 G HN 2.233 nan 8.290 nan 0.000 0.518 348 A N 0.594 123.416 122.820 0.003 0.000 2.609 348 A HA 0.489 4.809 4.320 0.000 0.000 0.232 348 A C 0.879 178.477 177.584 0.022 0.000 1.041 348 A CA 1.151 53.195 52.037 0.011 0.000 0.753 348 A CB 0.208 19.213 19.000 0.009 0.000 0.966 348 A HN 1.184 nan 8.150 nan 0.000 0.510 349 R N 2.275 122.799 120.500 0.041 0.000 2.797 349 R HA 0.282 4.622 4.340 0.000 0.000 0.274 349 R C -0.892 175.478 176.300 0.115 0.000 1.652 349 R CA -0.621 55.524 56.100 0.075 0.000 1.175 349 R CB 0.521 30.878 30.300 0.095 0.000 1.283 349 R HN 0.792 nan 8.270 nan 0.000 0.513 350 R N 2.369 122.905 120.500 0.061 0.000 2.543 350 R HA 0.342 4.682 4.340 0.000 0.000 0.277 350 R C -1.293 175.036 176.300 0.049 0.000 1.074 350 R CA 0.659 56.789 56.100 0.050 0.000 1.076 350 R CB 0.436 30.729 30.300 -0.012 0.000 0.993 350 R HN 0.428 nan 8.270 nan 0.000 0.459 351 F N 4.391 124.336 119.950 -0.009 0.000 2.607 351 F HA 0.301 4.828 4.527 0.000 0.000 0.322 351 F C -1.423 174.372 175.800 -0.008 0.000 1.176 351 F CA -1.625 56.370 58.000 -0.008 0.000 0.977 351 F CB 2.062 41.056 39.000 -0.009 0.000 1.242 351 F HN 0.602 nan 8.300 nan 0.000 0.465 352 P HA -0.057 nan 4.420 nan 0.000 0.213 352 P C -2.020 175.357 177.300 0.129 0.000 1.170 352 P CA 1.135 64.291 63.100 0.094 0.000 0.902 352 P CB -1.067 30.653 31.700 0.034 0.000 0.789 353 P HA 0.245 nan 4.420 nan 0.000 0.277 353 P C -2.637 174.710 177.300 0.077 0.000 1.240 353 P CA -1.545 61.620 63.100 0.108 0.000 0.798 353 P CB -0.694 31.063 31.700 0.094 0.000 0.979 354 P HA 0.166 nan 4.420 nan 0.000 0.269 354 P C 0.142 177.420 177.300 -0.037 0.000 1.263 354 P CA 0.036 63.138 63.100 0.004 0.000 0.813 354 P CB 0.301 32.000 31.700 -0.001 0.000 0.868 355 A N 3.025 125.805 122.820 -0.067 0.000 2.532 355 A HA 0.003 4.323 4.320 0.000 0.000 0.180 355 A C 1.247 178.776 177.584 -0.091 0.000 1.274 355 A CA 0.975 52.934 52.037 -0.130 0.000 0.785 355 A CB -0.916 17.967 19.000 -0.195 0.000 0.945 355 A HN 0.389 nan 8.150 nan 0.000 0.536 356 S N 1.137 116.786 115.700 -0.084 0.000 2.383 356 S HA 0.392 4.862 4.470 0.000 0.000 0.227 356 S C -2.640 171.928 174.600 -0.053 0.000 1.261 356 S CA -1.114 57.047 58.200 -0.065 0.000 1.262 356 S CB -0.207 62.953 63.200 -0.066 0.000 0.992 356 S HN 0.271 nan 8.310 nan 0.000 0.491 357 P HA -0.094 nan 4.420 nan 0.000 0.227 357 P C 0.056 177.329 177.300 -0.044 0.000 1.036 357 P CA 0.028 63.105 63.100 -0.038 0.000 1.080 357 P CB -0.690 30.991 31.700 -0.032 0.000 1.046 358 L N 1.856 123.051 121.223 -0.046 0.000 2.972 358 L HA -0.076 4.264 4.340 0.000 0.000 0.312 358 L C 0.042 176.877 176.870 -0.058 0.000 1.169 358 L CA 0.596 55.405 54.840 -0.053 0.000 0.873 358 L CB -0.850 41.177 42.059 -0.053 0.000 1.237 358 L HN 0.333 nan 8.230 nan 0.000 0.510 359 S N 3.951 119.616 115.700 -0.059 0.000 2.473 359 S HA 0.865 5.335 4.470 0.000 0.000 0.307 359 S C -0.449 174.112 174.600 -0.066 0.000 1.094 359 S CA -0.885 57.278 58.200 -0.062 0.000 1.070 359 S CB 1.467 64.634 63.200 -0.055 0.000 1.019 359 S HN 0.581 nan 8.310 nan 0.000 0.480 360 I N 2.393 122.918 120.570 -0.075 0.000 2.404 360 I HA 0.468 4.638 4.170 0.000 0.000 0.293 360 I C -0.135 175.937 176.117 -0.076 0.000 0.992 360 I CA -0.225 61.029 61.300 -0.077 0.000 1.149 360 I CB 2.243 40.191 38.000 -0.087 0.000 1.315 360 I HN 0.668 nan 8.210 nan 0.000 0.446 361 T N 6.831 121.346 114.554 -0.066 0.000 2.847 361 T HA 0.574 4.924 4.350 0.000 0.000 0.291 361 T C -0.397 174.270 174.700 -0.054 0.000 0.998 361 T CA -0.507 61.558 62.100 -0.058 0.000 0.967 361 T CB 0.708 69.548 68.868 -0.046 0.000 0.954 361 T HN 0.254 nan 8.240 nan 0.000 0.441 362 L N 4.869 126.060 121.223 -0.053 0.000 2.265 362 L HA 0.578 4.918 4.340 0.000 0.000 0.289 362 L C 0.470 177.322 176.870 -0.030 0.000 1.033 362 L CA -0.725 54.089 54.840 -0.042 0.000 0.814 362 L CB 0.804 42.837 42.059 -0.042 0.000 1.203 362 L HN 0.695 nan 8.230 nan 0.000 0.423 363 Q N 2.755 122.540 119.800 -0.025 0.000 2.991 363 Q HA 0.696 5.036 4.340 0.000 0.000 0.322 363 Q C -0.017 175.975 176.000 -0.013 0.000 0.978 363 Q CA -0.808 54.985 55.803 -0.017 0.000 0.787 363 Q CB 1.725 30.453 28.738 -0.017 0.000 1.492 363 Q HN 0.539 nan 8.270 nan 0.000 0.498 364 A N -0.361 122.454 122.820 -0.008 0.000 2.151 364 A HA -0.002 4.318 4.320 0.000 0.000 0.271 364 A C 1.157 178.737 177.584 -0.006 0.000 1.348 364 A CA 1.659 53.693 52.037 -0.006 0.000 0.763 364 A CB -2.379 16.618 19.000 -0.005 0.000 1.117 364 A HN 2.121 nan 8.150 nan 0.000 0.342 365 G N -2.224 106.574 108.800 -0.003 0.000 2.141 365 G HA2 0.185 4.145 3.960 0.000 0.000 0.242 365 G HA3 0.185 4.145 3.960 0.000 0.000 0.242 365 G C 0.693 175.592 174.900 -0.002 0.000 0.982 365 G CA 0.916 46.015 45.100 -0.001 0.000 0.662 365 G HN 2.520 nan 8.290 nan 0.000 0.527 366 A N 0.366 123.183 122.820 -0.005 0.000 2.524 366 A HA 0.581 4.901 4.320 0.000 0.000 0.250 366 A C 0.842 178.426 177.584 0.001 0.000 1.078 366 A CA 0.467 52.499 52.037 -0.008 0.000 0.761 366 A CB 0.131 19.121 19.000 -0.017 0.000 1.012 366 A HN 0.530 nan 8.150 nan 0.000 0.500 367 R N 1.396 121.896 120.500 0.001 0.000 2.346 367 R HA 0.603 4.943 4.340 0.000 0.000 0.311 367 R C -0.429 175.876 176.300 0.009 0.000 0.983 367 R CA -0.011 56.094 56.100 0.010 0.000 0.880 367 R CB 1.812 32.118 30.300 0.009 0.000 1.100 367 R HN 0.826 nan 8.270 nan 0.000 0.453 368 A N 2.959 125.791 122.820 0.019 0.000 2.402 368 A HA 0.302 4.622 4.320 0.000 0.000 0.291 368 A C -1.324 176.280 177.584 0.034 0.000 1.051 368 A CA -0.632 51.416 52.037 0.017 0.000 0.716 368 A CB 1.839 20.841 19.000 0.004 0.000 1.223 368 A HN 0.529 nan 8.150 nan 0.000 0.425 369 Q N 1.671 121.488 119.800 0.029 0.000 2.372 369 Q HA 0.748 5.088 4.340 0.000 0.000 0.273 369 Q C -0.519 175.498 176.000 0.030 0.000 1.078 369 Q CA -0.033 55.791 55.803 0.036 0.000 0.806 369 Q CB 2.355 31.108 28.738 0.026 0.000 1.332 369 Q HN 1.637 nan 8.270 nan 0.000 0.435 370 G N 1.945 110.770 108.800 0.041 0.000 2.349 370 G HA2 0.127 4.087 3.960 0.000 0.000 0.294 370 G HA3 0.127 4.087 3.960 0.000 0.000 0.294 370 G C -0.346 174.590 174.900 0.060 0.000 1.380 370 G CA -0.275 44.848 45.100 0.038 0.000 0.811 370 G HN 0.613 nan 8.290 nan 0.000 0.519 371 R N -0.563 119.979 120.500 0.069 0.000 2.081 371 R HA 0.295 4.635 4.340 0.000 0.000 0.235 371 R C 1.108 177.472 176.300 0.106 0.000 1.131 371 R CA 2.119 58.273 56.100 0.091 0.000 0.960 371 R CB -0.231 30.133 30.300 0.106 0.000 0.856 371 R HN 0.885 nan 8.270 nan 0.000 0.436 372 A N -0.074 122.813 122.820 0.112 0.000 2.374 372 A HA 0.313 4.633 4.320 0.000 0.000 0.317 372 A C 0.079 177.705 177.584 0.070 0.000 1.094 372 A CA -0.788 51.312 52.037 0.104 0.000 0.765 372 A CB 1.606 20.688 19.000 0.137 0.000 1.268 372 A HN 0.234 nan 8.150 nan 0.000 0.438 373 L N 1.067 122.305 121.223 0.025 0.000 2.249 373 L HA 0.341 4.681 4.340 0.000 0.000 0.207 373 L C -0.357 176.468 176.870 -0.076 0.000 1.090 373 L CA 1.319 56.138 54.840 -0.034 0.000 0.802 373 L CB 0.047 42.039 42.059 -0.112 0.000 0.947 373 L HN 0.624 nan 8.230 nan 0.000 0.453 374 L N -0.361 120.809 121.223 -0.089 0.000 2.493 374 L HA 0.292 4.632 4.340 0.000 0.000 0.265 374 L C -2.008 174.853 176.870 -0.015 0.000 0.954 374 L CA -0.477 54.315 54.840 -0.081 0.000 0.844 374 L CB 2.118 44.065 42.059 -0.188 0.000 1.302 374 L HN 0.036 nan 8.230 nan 0.000 0.405 375 Y N 5.131 125.391 120.300 -0.066 0.000 2.338 375 Y HA 0.430 4.980 4.550 0.000 0.000 0.328 375 Y C -0.040 175.830 175.900 -0.049 0.000 0.965 375 Y CA -0.720 57.355 58.100 -0.042 0.000 1.208 375 Y CB 1.197 39.651 38.460 -0.010 0.000 1.132 375 Y HN 0.630 nan 8.280 nan 0.000 0.469 376 R N 5.634 126.160 120.500 0.044 0.000 2.210 376 R HA 0.206 4.546 4.340 0.000 0.000 0.338 376 R C 0.622 177.042 176.300 0.200 0.000 1.062 376 R CA 0.052 56.192 56.100 0.067 0.000 0.902 376 R CB 0.813 31.082 30.300 -0.050 0.000 1.050 376 R HN 0.881 nan 8.270 nan 0.000 0.461 377 V N 5.119 125.156 119.914 0.206 0.000 2.241 377 V HA -0.343 3.777 4.120 0.000 0.000 0.256 377 V C 1.459 177.612 176.094 0.099 0.000 1.060 377 V CA 2.459 64.842 62.300 0.139 0.000 1.065 377 V CB -0.565 31.291 31.823 0.055 0.000 0.685 377 V HN 0.847 nan 8.190 nan 0.000 0.467 378 L N -1.477 119.775 121.223 0.048 0.000 3.978 378 L HA -0.084 4.256 4.340 0.000 0.000 0.395 378 L C -1.240 175.641 176.870 0.018 0.000 0.997 378 L CA 1.059 55.913 54.840 0.023 0.000 1.343 378 L CB -2.273 39.803 42.059 0.027 0.000 1.937 378 L HN 0.352 nan 8.230 nan 0.000 0.518 379 P HA 0.003 nan 4.420 nan 0.000 0.215 379 P C 0.540 177.844 177.300 0.006 0.000 1.157 379 P CA 0.598 63.704 63.100 0.010 0.000 0.869 379 P CB 0.639 32.346 31.700 0.011 0.000 0.781 380 E N 1.132 121.333 120.200 0.003 0.000 2.313 380 E HA 0.239 4.589 4.350 0.000 0.000 0.272 380 E C -2.180 174.413 176.600 -0.012 0.000 1.038 380 E CA -2.520 53.878 56.400 -0.002 0.000 0.863 380 E CB 0.873 30.568 29.700 -0.008 0.000 1.060 380 E HN 0.093 nan 8.360 nan 0.000 0.402 381 P HA 0.066 nan 4.420 nan 0.000 0.279 381 P C -0.938 176.340 177.300 -0.036 0.000 1.239 381 P CA -0.174 62.911 63.100 -0.024 0.000 0.789 381 P CB 1.026 32.715 31.700 -0.018 0.000 0.933 382 V N 2.261 122.145 119.914 -0.050 0.000 3.103 382 V HA 0.627 4.747 4.120 0.000 0.000 0.318 382 V C 0.147 176.198 176.094 -0.072 0.000 1.114 382 V CA -0.704 61.557 62.300 -0.064 0.000 1.020 382 V CB 1.816 33.592 31.823 -0.079 0.000 1.085 382 V HN 0.424 nan 8.190 nan 0.000 0.446 383 K N 2.033 122.385 120.400 -0.079 0.000 2.950 383 K HA 0.456 4.776 4.320 0.000 0.000 0.199 383 K C -1.448 175.094 176.600 -0.096 0.000 1.144 383 K CA -0.271 55.967 56.287 -0.081 0.000 0.983 383 K CB 0.595 33.057 32.500 -0.063 0.000 1.187 383 K HN 0.608 nan 8.250 nan 0.000 0.595 384 L N 1.724 122.871 121.223 -0.126 0.000 2.349 384 L HA 0.590 4.930 4.340 0.000 0.000 0.275 384 L C -0.899 175.891 176.870 -0.133 0.000 1.115 384 L CA 0.848 55.600 54.840 -0.145 0.000 0.820 384 L CB 1.220 43.154 42.059 -0.208 0.000 1.135 384 L HN 0.558 nan 8.230 nan 0.000 0.445 385 T N 6.390 120.878 114.554 -0.109 0.000 2.949 385 T HA 0.455 4.805 4.350 0.000 0.000 0.300 385 T C -0.580 174.078 174.700 -0.070 0.000 0.988 385 T CA -0.430 61.620 62.100 -0.082 0.000 0.993 385 T CB 0.755 69.588 68.868 -0.059 0.000 0.984 385 T HN 0.423 nan 8.240 nan 0.000 0.442 386 L N 2.945 124.133 121.223 -0.058 0.000 2.272 386 L HA 0.844 5.184 4.340 0.000 0.000 0.289 386 L C 0.322 177.187 176.870 -0.009 0.000 1.032 386 L CA -0.725 54.097 54.840 -0.029 0.000 0.810 386 L CB 0.969 43.024 42.059 -0.007 0.000 1.205 386 L HN 0.765 nan 8.230 nan 0.000 0.422 387 A N 1.730 124.545 122.820 -0.009 0.000 2.475 387 A HA 0.786 5.106 4.320 0.000 0.000 0.281 387 A C 0.645 178.229 177.584 -0.001 0.000 1.263 387 A CA -0.141 51.894 52.037 -0.004 0.000 0.776 387 A CB 0.992 19.986 19.000 -0.010 0.000 1.347 387 A HN 0.866 nan 8.150 nan 0.000 0.443 388 G N -1.000 107.800 108.800 -0.000 0.000 2.424 388 G HA2 0.208 4.168 3.960 0.000 0.000 0.294 388 G HA3 0.208 4.168 3.960 0.000 0.000 0.294 388 G C 1.624 176.525 174.900 0.002 0.000 0.939 388 G CA 1.611 46.711 45.100 -0.000 0.000 1.143 388 G HN 2.752 nan 8.290 nan 0.000 0.507 389 G N -1.821 106.984 108.800 0.007 0.000 2.155 389 G HA2 0.118 4.078 3.960 0.000 0.000 0.257 389 G HA3 0.118 4.078 3.960 0.000 0.000 0.257 389 G C 0.872 175.780 174.900 0.014 0.000 0.983 389 G CA 1.151 46.257 45.100 0.010 0.000 0.676 389 G HN 2.327 nan 8.290 nan 0.000 0.528 390 A N -0.522 122.305 122.820 0.013 0.000 2.483 390 A HA 0.596 4.916 4.320 0.000 0.000 0.238 390 A C 0.520 178.124 177.584 0.033 0.000 1.070 390 A CA 0.619 52.664 52.037 0.015 0.000 0.770 390 A CB 0.299 19.301 19.000 0.004 0.000 1.008 390 A HN 0.600 nan 8.150 nan 0.000 0.497 391 Q N 0.509 120.331 119.800 0.037 0.000 2.275 391 Q HA 0.511 4.851 4.340 0.000 0.000 0.266 391 Q C -0.437 175.607 176.000 0.073 0.000 1.002 391 Q CA -0.335 55.505 55.803 0.062 0.000 0.761 391 Q CB 2.316 31.083 28.738 0.048 0.000 1.255 391 Q HN 0.900 nan 8.270 nan 0.000 0.446 392 G N 2.422 111.295 108.800 0.121 0.000 2.557 392 G HA2 0.387 4.347 3.960 0.000 0.000 0.310 392 G HA3 0.387 4.347 3.960 0.000 0.000 0.310 392 G C -0.736 174.313 174.900 0.248 0.000 1.328 392 G CA -0.467 44.712 45.100 0.132 0.000 0.945 392 G HN 0.501 nan 8.290 nan 0.000 0.494 393 Q N 2.559 122.466 119.800 0.179 0.000 2.400 393 Q HA 0.697 5.037 4.340 0.000 0.000 0.255 393 Q C -0.147 175.966 176.000 0.188 0.000 1.008 393 Q CA -0.874 55.049 55.803 0.201 0.000 0.841 393 Q CB 2.021 30.827 28.738 0.114 0.000 1.220 393 Q HN 0.584 nan 8.270 nan 0.000 0.474 394 G N 1.658 110.630 108.800 0.287 0.000 3.000 394 G HA2 0.264 4.224 3.960 0.000 0.000 0.170 394 G HA3 0.264 4.224 3.960 0.000 0.000 0.170 394 G C -0.802 174.281 174.900 0.305 0.000 1.160 394 G CA -0.085 45.142 45.100 0.213 0.000 0.945 394 G HN 0.459 nan 8.290 nan 0.000 0.593 395 D N -1.474 119.058 120.400 0.220 0.000 2.042 395 D HA 0.194 4.834 4.640 0.000 0.000 0.351 395 D C 0.602 176.982 176.300 0.132 0.000 1.053 395 D CA 0.123 54.265 54.000 0.236 0.000 0.903 395 D CB 0.655 41.542 40.800 0.145 0.000 1.749 395 D HN 0.431 nan 8.370 nan 0.000 0.537 396 I N 1.187 121.724 120.570 -0.054 0.000 7.505 396 I HA -0.210 3.960 4.170 0.000 0.000 0.126 396 I C -0.729 175.297 176.117 -0.152 0.000 1.838 396 I CA -0.116 61.074 61.300 -0.183 0.000 2.047 396 I CB -1.468 36.303 38.000 -0.382 0.000 3.658 396 I HN -0.192 nan 8.210 nan 0.000 0.172 397 V N 2.678 122.451 119.914 -0.235 0.000 2.994 397 V HA 1.006 5.126 4.120 0.000 0.000 0.318 397 V C 0.535 176.322 176.094 -0.511 0.000 1.085 397 V CA -0.048 62.045 62.300 -0.346 0.000 0.998 397 V CB 1.826 33.407 31.823 -0.405 0.000 1.063 397 V HN 0.752 nan 8.190 nan 0.000 0.447 398 A N 0.591 123.159 122.820 -0.420 0.000 2.530 398 A HA 0.666 4.986 4.320 0.000 0.000 0.288 398 A C 0.695 178.148 177.584 -0.217 0.000 1.172 398 A CA 0.059 51.901 52.037 -0.326 0.000 0.733 398 A CB 1.182 20.087 19.000 -0.158 0.000 1.320 398 A HN 0.732 nan 8.150 nan 0.000 0.419 399 T N 0.862 115.377 114.554 -0.065 0.000 2.962 399 T HA 0.014 4.364 4.350 0.000 0.000 0.270 399 T C 0.546 175.261 174.700 0.025 0.000 1.088 399 T CA 1.464 63.593 62.100 0.048 0.000 1.127 399 T CB -0.634 68.286 68.868 0.088 0.000 0.883 399 T HN 1.162 nan 8.240 nan 0.000 0.493 400 E N -0.003 120.192 120.200 -0.008 0.000 2.476 400 E HA -0.186 4.164 4.350 0.000 0.000 0.251 400 E C -1.019 175.588 176.600 0.012 0.000 1.130 400 E CA 0.203 56.602 56.400 -0.002 0.000 0.736 400 E CB -2.595 27.105 29.700 -0.001 0.000 1.298 400 E HN 0.438 nan 8.360 nan 0.000 0.400 401 L N -1.706 119.527 121.223 0.016 0.000 2.676 401 L HA 0.506 4.846 4.340 0.000 0.000 0.262 401 L C -2.475 174.405 176.870 0.017 0.000 0.932 401 L CA -1.887 52.962 54.840 0.015 0.000 0.932 401 L CB 1.205 43.275 42.059 0.018 0.000 1.355 401 L HN -0.096 nan 8.230 nan 0.000 0.421 402 P HA 0.328 nan 4.420 nan 0.000 0.272 402 P C -2.278 175.030 177.300 0.013 0.000 1.230 402 P CA -1.134 61.973 63.100 0.011 0.000 0.788 402 P CB 0.667 32.372 31.700 0.007 0.000 0.949 403 P HA 0.085 nan 4.420 nan 0.000 0.215 403 P C 0.424 177.729 177.300 0.008 0.000 1.157 403 P CA 1.212 64.319 63.100 0.011 0.000 0.856 403 P CB 0.125 31.832 31.700 0.011 0.000 0.786 404 I N 1.070 121.643 120.570 0.006 0.000 2.310 404 I HA 0.233 4.403 4.170 0.000 0.000 0.287 404 I C -2.301 173.818 176.117 0.004 0.000 1.073 404 I CA -2.425 58.877 61.300 0.004 0.000 1.216 404 I CB 0.745 38.746 38.000 0.001 0.000 1.415 404 I HN -0.211 nan 8.210 nan 0.000 0.480 405 P HA 0.157 nan 4.420 nan 0.000 0.260 405 P C 0.436 177.738 177.300 0.004 0.000 1.185 405 P CA 0.686 63.789 63.100 0.005 0.000 0.763 405 P CB 0.506 32.209 31.700 0.005 0.000 0.776 406 G N 2.653 111.456 108.800 0.004 0.000 2.566 406 G HA2 0.285 4.245 3.960 0.000 0.000 0.599 406 G HA3 0.285 4.245 3.960 0.000 0.000 0.599 406 G C -0.525 174.377 174.900 0.003 0.000 1.292 406 G CA -0.084 45.019 45.100 0.004 0.000 0.922 406 G HN 0.699 nan 8.290 nan 0.000 0.514 407 A N -0.458 122.364 122.820 0.003 0.000 1.507 407 A HA 0.402 4.722 4.320 0.000 0.000 0.289 407 A C 2.261 179.846 177.584 0.003 0.000 1.113 407 A CA 2.387 54.425 52.037 0.003 0.000 1.249 407 A CB -1.497 17.503 19.000 0.001 0.000 0.887 407 A HN 3.108 nan 8.150 nan 0.000 0.186 408 S N 0.923 116.625 115.700 0.004 0.000 2.520 408 S HA 0.048 4.518 4.470 0.000 0.000 0.629 408 S C 0.455 175.057 174.600 0.004 0.000 3.381 408 S CA 1.307 59.509 58.200 0.004 0.000 3.712 408 S CB -1.297 61.906 63.200 0.005 0.000 0.360 408 S HN 3.201 nan 8.310 nan 0.000 1.727 409 S N -0.817 114.885 115.700 0.004 0.000 2.852 409 S HA 0.448 4.919 4.470 0.000 0.000 0.302 409 S C 0.031 174.631 174.600 -0.000 0.000 0.615 409 S CA 0.327 58.528 58.200 0.002 0.000 0.649 409 S CB -0.866 62.334 63.200 0.000 0.000 0.887 409 S HN 2.290 nan 8.310 nan 0.000 0.603 410 G N 4.562 113.362 108.800 -0.000 0.000 2.720 410 G HA2 0.454 4.414 3.960 0.000 0.000 0.237 410 G HA3 0.454 4.414 3.960 0.000 0.000 0.237 410 G C -2.373 172.520 174.900 -0.012 0.000 1.239 410 G CA -0.605 44.493 45.100 -0.004 0.000 0.847 410 G HN 0.600 nan 8.290 nan 0.000 0.593 411 P HA 0.227 nan 4.420 nan 0.000 0.278 411 P C -0.731 176.546 177.300 -0.038 0.000 1.238 411 P CA -0.623 62.462 63.100 -0.024 0.000 0.794 411 P CB 1.612 33.300 31.700 -0.020 0.000 0.955 412 L N 3.302 124.494 121.223 -0.051 0.000 2.264 412 L HA 0.453 4.793 4.340 0.000 0.000 0.287 412 L C -0.871 175.947 176.870 -0.087 0.000 1.039 412 L CA 0.150 54.944 54.840 -0.076 0.000 0.829 412 L CB -0.092 41.912 42.059 -0.092 0.000 1.211 412 L HN 0.153 nan 8.230 nan 0.000 0.427 413 D N 4.160 124.507 120.400 -0.088 0.000 2.278 413 D HA 0.444 5.084 4.640 0.000 0.000 0.245 413 D C -0.923 175.306 176.300 -0.118 0.000 1.052 413 D CA -0.013 53.935 54.000 -0.086 0.000 0.834 413 D CB 2.737 43.502 40.800 -0.059 0.000 1.194 413 D HN 0.371 nan 8.370 nan 0.000 0.481 414 V N 0.571 120.404 119.914 -0.135 0.000 2.588 414 V HA 0.781 4.901 4.120 0.000 0.000 0.304 414 V C -1.288 174.743 176.094 -0.104 0.000 1.042 414 V CA -0.571 61.632 62.300 -0.163 0.000 0.877 414 V CB 1.563 33.211 31.823 -0.292 0.000 0.996 414 V HN 0.627 nan 8.190 nan 0.000 0.425 415 A N 7.417 130.188 122.820 -0.082 0.000 2.287 415 A HA 0.826 5.146 4.320 0.000 0.000 0.317 415 A C -0.823 176.745 177.584 -0.027 0.000 1.220 415 A CA -0.639 51.374 52.037 -0.040 0.000 0.835 415 A CB 0.797 19.779 19.000 -0.031 0.000 1.180 415 A HN 0.957 nan 8.150 nan 0.000 0.500 416 L N 2.648 123.877 121.223 0.010 0.000 2.265 416 L HA 0.676 5.016 4.340 0.000 0.000 0.289 416 L C 0.462 177.351 176.870 0.031 0.000 1.033 416 L CA -0.153 54.709 54.840 0.038 0.000 0.814 416 L CB 1.296 43.413 42.059 0.097 0.000 1.203 416 L HN 0.829 nan 8.230 nan 0.000 0.423 417 A N 1.538 124.370 122.820 0.020 0.000 2.483 417 A HA 0.686 5.006 4.320 0.000 0.000 0.286 417 A C 0.219 177.810 177.584 0.012 0.000 1.207 417 A CA -0.359 51.686 52.037 0.013 0.000 0.764 417 A CB 1.246 20.248 19.000 0.004 0.000 1.341 417 A HN 0.757 nan 8.150 nan 0.000 0.428 418 S N 0.839 116.543 115.700 0.007 0.000 3.375 418 S HA -0.214 4.256 4.470 0.000 0.000 0.235 418 S C 0.432 175.036 174.600 0.007 0.000 0.683 418 S CA 1.330 59.533 58.200 0.005 0.000 1.383 418 S CB -1.260 61.941 63.200 0.001 0.000 1.014 418 S HN 1.325 nan 8.310 nan 0.000 0.393 419 Q N -3.639 116.167 119.800 0.009 0.000 2.342 419 Q HA -0.247 4.093 4.340 0.000 0.000 0.196 419 Q C 0.571 176.581 176.000 0.017 0.000 0.629 419 Q CA 1.374 57.182 55.803 0.008 0.000 1.365 419 Q CB -2.215 26.525 28.738 0.003 0.000 1.406 419 Q HN 1.406 nan 8.270 nan 0.000 0.840 420 A N 1.021 123.857 122.820 0.026 0.000 2.310 420 A HA 0.570 4.890 4.320 0.000 0.000 0.260 420 A C 0.578 178.200 177.584 0.064 0.000 1.112 420 A CA 0.206 52.267 52.037 0.041 0.000 0.804 420 A CB 0.632 19.656 19.000 0.040 0.000 1.081 420 A HN 0.205 nan 8.150 nan 0.000 0.499 421 R N -0.075 120.480 120.500 0.091 0.000 2.912 421 R HA 0.083 4.423 4.340 0.000 0.000 0.278 421 R C -2.251 174.168 176.300 0.198 0.000 1.533 421 R CA -0.280 55.892 56.100 0.119 0.000 1.061 421 R CB 0.756 31.098 30.300 0.070 0.000 1.313 421 R HN 0.796 nan 8.270 nan 0.000 0.443 422 W N 4.471 125.797 121.300 0.044 0.000 2.322 422 W HA 0.376 5.036 4.660 0.000 0.000 0.307 422 W C -0.537 176.070 176.519 0.148 0.000 1.220 422 W CA -0.318 57.049 57.345 0.037 0.000 1.210 422 W CB 1.258 30.678 29.460 -0.067 0.000 1.223 422 W HN 0.367 nan 8.180 nan 0.000 0.511 423 T N 5.614 120.139 114.554 -0.048 0.000 2.912 423 T HA 0.718 5.068 4.350 0.000 0.000 0.326 423 T C -0.275 174.272 174.700 -0.256 0.000 1.080 423 T CA 0.246 62.217 62.100 -0.214 0.000 1.000 423 T CB -0.254 68.594 68.868 -0.033 0.000 1.008 423 T HN 0.951 nan 8.240 nan 0.000 0.473 424 G N 2.362 110.840 108.800 -0.536 0.000 2.494 424 G HA2 0.753 4.713 3.960 0.000 0.000 0.308 424 G HA3 0.753 4.713 3.960 0.000 0.000 0.308 424 G C -1.575 173.314 174.900 -0.018 0.000 1.263 424 G CA -0.206 44.840 45.100 -0.089 0.000 0.840 424 G HN 1.078 nan 8.290 nan 0.000 0.479 425 A N -1.173 121.780 122.820 0.223 0.000 2.498 425 A HA 0.973 5.293 4.320 0.000 0.000 0.298 425 A C -0.600 177.177 177.584 0.323 0.000 1.075 425 A CA -0.385 51.803 52.037 0.253 0.000 0.714 425 A CB 1.965 21.045 19.000 0.134 0.000 1.299 425 A HN 1.357 nan 8.150 nan 0.000 0.407 426 T N 1.373 116.103 114.554 0.293 0.000 3.012 426 T HA 0.477 4.827 4.350 0.000 0.000 0.330 426 T C -0.287 174.495 174.700 0.136 0.000 1.321 426 T CA -0.656 61.561 62.100 0.195 0.000 1.067 426 T CB 1.356 70.340 68.868 0.193 0.000 1.235 426 T HN 0.816 nan 8.240 nan 0.000 0.479 427 R N 0.656 121.196 120.500 0.066 0.000 2.690 427 R HA 0.644 4.984 4.340 0.000 0.000 0.419 427 R C 0.115 176.421 176.300 0.009 0.000 1.090 427 R CA -0.283 55.847 56.100 0.049 0.000 1.064 427 R CB -0.280 30.047 30.300 0.045 0.000 1.391 427 R HN 0.567 nan 8.270 nan 0.000 0.586 428 A N 0.211 123.021 122.820 -0.016 0.000 2.340 428 A HA 0.299 4.619 4.320 0.000 0.000 0.213 428 A C 0.196 177.740 177.584 -0.067 0.000 1.299 428 A CA 0.038 52.042 52.037 -0.055 0.000 0.994 428 A CB 0.776 19.716 19.000 -0.100 0.000 1.132 428 A HN 0.063 nan 8.150 nan 0.000 0.519 429 V N 2.123 121.994 119.914 -0.071 0.000 2.508 429 V HA 0.081 4.201 4.120 0.000 0.000 0.281 429 V C 0.638 176.703 176.094 -0.048 0.000 1.041 429 V CA 0.015 62.258 62.300 -0.095 0.000 1.016 429 V CB 1.011 32.744 31.823 -0.150 0.000 0.984 429 V HN 0.389 nan 8.190 nan 0.000 0.478 430 D N 2.253 122.624 120.400 -0.049 0.000 2.149 430 D HA -0.019 4.621 4.640 0.000 0.000 0.201 430 D C 1.002 177.296 176.300 -0.009 0.000 0.972 430 D CA 1.337 55.324 54.000 -0.022 0.000 0.835 430 D CB 0.492 41.277 40.800 -0.024 0.000 0.966 430 D HN 0.624 nan 8.370 nan 0.000 0.476 431 S N 0.091 115.776 115.700 -0.024 0.000 2.653 431 S HA 0.377 4.847 4.470 0.000 0.000 0.268 431 S C -1.537 173.050 174.600 -0.021 0.000 1.153 431 S CA -0.893 57.303 58.200 -0.006 0.000 1.036 431 S CB 0.619 63.818 63.200 -0.002 0.000 1.103 431 S HN -0.008 nan 8.310 nan 0.000 0.466 432 L N 4.836 126.062 121.223 0.004 0.000 2.307 432 L HA 0.865 5.205 4.340 0.000 0.000 0.284 432 L C -0.285 176.610 176.870 0.042 0.000 1.023 432 L CA 0.222 55.063 54.840 0.002 0.000 0.810 432 L CB 1.849 43.917 42.059 0.015 0.000 1.231 432 L HN 0.802 nan 8.230 nan 0.000 0.423 433 S N 6.026 121.744 115.700 0.029 0.000 2.774 433 S HA 0.627 5.097 4.470 0.000 0.000 0.297 433 S C -0.654 173.975 174.600 0.048 0.000 1.143 433 S CA -0.673 57.553 58.200 0.043 0.000 1.090 433 S CB 0.183 63.398 63.200 0.026 0.000 1.019 433 S HN 0.514 nan 8.310 nan 0.000 0.482 434 I N 3.714 124.324 120.570 0.068 0.000 2.315 434 I HA 0.419 4.589 4.170 0.000 0.000 0.291 434 I C -0.292 175.849 176.117 0.039 0.000 1.006 434 I CA -0.321 61.019 61.300 0.065 0.000 1.265 434 I CB 1.070 39.120 38.000 0.084 0.000 1.387 434 I HN 0.645 nan 8.210 nan 0.000 0.475 435 D N 7.499 127.917 120.400 0.030 0.000 2.358 435 D HA 0.083 4.723 4.640 0.000 0.000 0.253 435 D C -0.083 176.225 176.300 0.013 0.000 1.288 435 D CA -0.464 53.548 54.000 0.019 0.000 0.950 435 D CB 0.702 41.513 40.800 0.017 0.000 1.197 435 D HN 0.589 nan 8.370 nan 0.000 0.550 436 N N 2.282 120.986 118.700 0.007 0.000 2.725 436 N HA -0.233 4.507 4.740 0.000 0.000 0.251 436 N C -1.700 173.814 175.510 0.007 0.000 1.031 436 N CA 1.312 54.363 53.050 0.002 0.000 0.720 436 N CB -0.953 37.534 38.487 0.000 0.000 0.930 436 N HN 0.553 nan 8.380 nan 0.000 0.543 437 A N -1.026 121.802 122.820 0.014 0.000 2.533 437 A HA 0.848 5.168 4.320 0.000 0.000 0.293 437 A C -0.315 177.289 177.584 0.032 0.000 1.228 437 A CA 0.060 52.114 52.037 0.028 0.000 0.689 437 A CB 1.551 20.579 19.000 0.047 0.000 1.303 437 A HN 0.755 nan 8.150 nan 0.000 0.444 438 T N -0.934 113.656 114.554 0.060 0.000 2.971 438 T HA 0.495 4.845 4.350 0.000 0.000 0.304 438 T C -2.195 172.597 174.700 0.154 0.000 1.038 438 T CA -0.071 62.065 62.100 0.060 0.000 1.007 438 T CB 1.118 69.988 68.868 0.003 0.000 1.055 438 T HN 1.374 nan 8.240 nan 0.000 0.451 439 W N 7.093 128.344 121.300 -0.081 0.000 2.278 439 W HA 0.583 5.243 4.660 0.000 0.000 0.317 439 W C -1.381 174.982 176.519 -0.259 0.000 1.030 439 W CA -1.686 55.555 57.345 -0.175 0.000 1.334 439 W CB 0.322 29.690 29.460 -0.154 0.000 1.215 439 W HN 0.514 nan 8.180 nan 0.000 0.405 440 V N 9.034 128.885 119.914 -0.105 0.000 2.381 440 V HA 0.027 4.147 4.120 0.000 0.000 0.257 440 V C 0.788 176.588 176.094 -0.489 0.000 1.057 440 V CA -0.128 62.010 62.300 -0.272 0.000 1.013 440 V CB 0.195 31.939 31.823 -0.132 0.000 1.069 440 V HN 0.633 nan 8.190 nan 0.000 0.484 441 M N 5.262 124.345 119.600 -0.861 0.000 2.105 441 M HA 0.164 4.644 4.480 0.000 0.000 0.350 441 M C 1.166 177.217 176.300 -0.415 0.000 1.308 441 M CA -0.170 54.588 55.300 -0.904 0.000 1.108 441 M CB 1.108 32.807 32.600 -1.501 0.000 1.622 441 M HN 0.821 nan 8.290 nan 0.000 0.468 442 T N 0.452 114.882 114.554 -0.207 0.000 3.065 442 T HA 0.235 4.585 4.350 0.000 0.000 0.252 442 T C 0.137 174.795 174.700 -0.069 0.000 1.099 442 T CA -0.063 61.974 62.100 -0.104 0.000 1.063 442 T CB 0.174 69.015 68.868 -0.045 0.000 0.948 442 T HN 0.649 nan 8.240 nan 0.000 0.506 443 D N 0.202 120.556 120.400 -0.078 0.000 2.671 443 D HA 0.269 4.909 4.640 0.000 0.000 0.273 443 D C -1.518 174.751 176.300 -0.051 0.000 1.264 443 D CA -0.750 53.223 54.000 -0.046 0.000 0.788 443 D CB 1.205 42.001 40.800 -0.006 0.000 1.324 443 D HN -0.067 nan 8.370 nan 0.000 0.424 444 N N 0.021 118.701 118.700 -0.032 0.000 2.293 444 N HA 0.249 4.989 4.740 0.000 0.000 0.253 444 N C -0.787 174.744 175.510 0.035 0.000 1.248 444 N CA 0.810 53.854 53.050 -0.010 0.000 0.845 444 N CB 0.368 38.855 38.487 -0.001 0.000 1.073 444 N HN 0.152 nan 8.380 nan 0.000 0.464 445 S N 0.843 116.578 115.700 0.059 0.000 2.564 445 S HA 0.448 4.918 4.470 0.000 0.000 0.274 445 S C -0.947 173.745 174.600 0.152 0.000 1.124 445 S CA -0.976 57.315 58.200 0.151 0.000 0.869 445 S CB 1.690 65.080 63.200 0.317 0.000 1.105 445 S HN 0.477 nan 8.310 nan 0.000 0.472 446 N N 0.804 119.593 118.700 0.149 0.000 2.361 446 N HA 0.721 5.461 4.740 0.000 0.000 0.302 446 N C -1.593 173.997 175.510 0.133 0.000 1.074 446 N CA -0.309 52.816 53.050 0.124 0.000 0.850 446 N CB 1.976 40.510 38.487 0.078 0.000 1.228 446 N HN 0.279 nan 8.380 nan 0.000 0.491 447 V N 0.517 120.511 119.914 0.132 0.000 2.888 447 V HA 0.361 4.481 4.120 0.000 0.000 0.309 447 V C 1.065 177.211 176.094 0.086 0.000 1.114 447 V CA -0.627 61.737 62.300 0.107 0.000 0.940 447 V CB 1.869 33.789 31.823 0.160 0.000 1.021 447 V HN 0.857 nan 8.190 nan 0.000 0.426 448 G N 2.362 111.196 108.800 0.057 0.000 2.679 448 G HA2 0.270 4.230 3.960 0.000 0.000 0.214 448 G HA3 0.270 4.230 3.960 0.000 0.000 0.214 448 G C 0.484 175.423 174.900 0.065 0.000 1.315 448 G CA 0.814 45.945 45.100 0.051 0.000 0.836 448 G HN 1.149 nan 8.290 nan 0.000 0.580 449 A N -0.210 122.645 122.820 0.058 0.000 2.277 449 A HA 0.636 4.956 4.320 0.000 0.000 0.318 449 A C -0.973 176.660 177.584 0.083 0.000 1.339 449 A CA -0.474 51.603 52.037 0.067 0.000 0.875 449 A CB 1.070 20.100 19.000 0.050 0.000 1.158 449 A HN 0.472 nan 8.150 nan 0.000 0.514 450 L N 3.228 124.521 121.223 0.115 0.000 2.276 450 L HA 0.676 5.016 4.340 0.000 0.000 0.286 450 L C 0.306 177.253 176.870 0.129 0.000 1.061 450 L CA -0.045 54.881 54.840 0.144 0.000 0.807 450 L CB 0.883 43.069 42.059 0.213 0.000 1.177 450 L HN 0.746 nan 8.230 nan 0.000 0.429 451 R N 4.827 125.395 120.500 0.114 0.000 2.686 451 R HA 0.815 5.155 4.340 0.000 0.000 0.286 451 R C -1.988 174.372 176.300 0.100 0.000 0.969 451 R CA -0.706 55.458 56.100 0.107 0.000 0.898 451 R CB 1.334 31.680 30.300 0.077 0.000 1.183 451 R HN 0.631 nan 8.270 nan 0.000 0.456 452 L N 2.211 123.504 121.223 0.117 0.000 2.309 452 L HA 0.954 5.294 4.340 0.000 0.000 0.261 452 L C -0.822 176.092 176.870 0.073 0.000 1.021 452 L CA -0.653 54.237 54.840 0.084 0.000 0.823 452 L CB 2.266 44.365 42.059 0.067 0.000 1.366 452 L HN 0.966 nan 8.230 nan 0.000 0.423 453 A N -0.663 122.182 122.820 0.042 0.000 2.597 453 A HA 0.608 4.928 4.320 0.000 0.000 0.292 453 A C -0.230 177.362 177.584 0.013 0.000 1.057 453 A CA -0.266 51.787 52.037 0.026 0.000 0.674 453 A CB 0.955 19.968 19.000 0.022 0.000 1.278 453 A HN 0.704 nan 8.150 nan 0.000 0.416 454 S N 1.589 117.293 115.700 0.006 0.000 3.491 454 S HA -0.152 4.318 4.470 0.000 0.000 0.371 454 S C 0.238 174.837 174.600 -0.002 0.000 0.980 454 S CA 1.617 59.818 58.200 0.001 0.000 1.204 454 S CB -1.202 61.999 63.200 0.001 0.000 0.915 454 S HN 1.259 nan 8.310 nan 0.000 0.482 455 D N -2.541 117.857 120.400 -0.003 0.000 3.059 455 D HA -0.124 4.516 4.640 0.000 0.000 0.208 455 D C 0.609 176.896 176.300 -0.022 0.000 1.079 455 D CA 1.260 55.253 54.000 -0.011 0.000 0.986 455 D CB -1.504 39.287 40.800 -0.015 0.000 1.090 455 D HN 0.899 nan 8.370 nan 0.000 0.428 456 G N 0.756 109.546 108.800 -0.016 0.000 2.391 456 G HA2 0.358 4.318 3.960 0.000 0.000 0.234 456 G HA3 0.358 4.318 3.960 0.000 0.000 0.234 456 G C 0.384 175.236 174.900 -0.081 0.000 1.284 456 G CA 0.842 45.926 45.100 -0.027 0.000 0.873 456 G HN 0.443 nan 8.290 nan 0.000 0.549 457 S N 0.016 115.658 115.700 -0.096 0.000 2.549 457 S HA 0.638 5.108 4.470 0.000 0.000 0.280 457 S C -0.865 173.623 174.600 -0.187 0.000 1.109 457 S CA -0.841 57.247 58.200 -0.186 0.000 0.905 457 S CB 2.228 65.350 63.200 -0.129 0.000 1.081 457 S HN 0.660 nan 8.310 nan 0.000 0.477 458 V N 2.475 122.183 119.914 -0.343 0.000 2.394 458 V HA 0.514 4.634 4.120 0.000 0.000 0.282 458 V C -0.704 175.323 176.094 -0.112 0.000 1.031 458 V CA -0.449 61.690 62.300 -0.268 0.000 0.881 458 V CB 1.377 33.025 31.823 -0.292 0.000 0.982 458 V HN 0.999 nan 8.190 nan 0.000 0.451 459 D N 4.399 124.701 120.400 -0.164 0.000 2.462 459 D HA 0.310 4.950 4.640 0.000 0.000 0.249 459 D C -0.432 175.854 176.300 -0.024 0.000 1.117 459 D CA -0.622 53.364 54.000 -0.024 0.000 0.900 459 D CB 0.387 41.143 40.800 -0.073 0.000 1.039 459 D HN 0.214 nan 8.370 nan 0.000 0.516 460 F N 2.236 122.082 119.950 -0.173 0.000 2.506 460 F HA 0.033 4.560 4.527 0.000 0.000 0.387 460 F C 1.567 177.312 175.800 -0.092 0.000 1.053 460 F CA 0.220 58.130 58.000 -0.151 0.000 1.083 460 F CB -0.090 38.871 39.000 -0.064 0.000 1.010 460 F HN 0.276 nan 8.300 nan 0.000 0.551 461 Q N 3.770 123.570 119.800 0.001 0.000 2.300 461 Q HA -0.056 4.284 4.340 0.000 0.000 0.280 461 Q C 0.197 176.238 176.000 0.068 0.000 1.033 461 Q CA -0.222 55.584 55.803 0.006 0.000 0.903 461 Q CB 0.543 29.253 28.738 -0.047 0.000 1.195 461 Q HN 0.664 nan 8.270 nan 0.000 0.386 462 Q N 5.672 125.515 119.800 0.071 0.000 2.271 462 Q HA 0.144 4.484 4.340 0.000 0.000 0.273 462 Q C -2.059 174.003 176.000 0.103 0.000 1.051 462 Q CA -1.426 54.435 55.803 0.097 0.000 0.901 462 Q CB 0.657 29.441 28.738 0.078 0.000 1.174 462 Q HN 0.371 nan 8.270 nan 0.000 0.385 463 P HA 0.050 nan 4.420 nan 0.000 0.276 463 P C -0.718 176.647 177.300 0.108 0.000 1.230 463 P CA 0.057 63.229 63.100 0.120 0.000 0.776 463 P CB 1.374 33.161 31.700 0.146 0.000 0.888 464 A N 2.444 125.303 122.820 0.065 0.000 2.067 464 A HA -0.069 4.251 4.320 0.000 0.000 0.217 464 A C 1.113 178.723 177.584 0.044 0.000 1.156 464 A CA 0.622 52.691 52.037 0.054 0.000 0.683 464 A CB -0.667 18.355 19.000 0.036 0.000 0.808 464 A HN 0.586 nan 8.150 nan 0.000 0.455 465 E N 1.227 121.444 120.200 0.029 0.000 2.159 465 E HA 0.432 4.783 4.350 0.000 0.000 0.272 465 E C 0.105 176.698 176.600 -0.012 0.000 1.138 465 E CA 0.220 56.619 56.400 -0.003 0.000 0.915 465 E CB 0.115 29.797 29.700 -0.029 0.000 1.028 465 E HN 0.397 nan 8.360 nan 0.000 0.423 466 A N 3.957 126.774 122.820 -0.006 0.000 2.546 466 A HA 0.443 4.763 4.320 0.000 0.000 0.243 466 A C 1.454 178.924 177.584 -0.191 0.000 1.063 466 A CA 0.524 52.552 52.037 -0.014 0.000 0.757 466 A CB -0.427 18.586 19.000 0.022 0.000 0.991 466 A HN 1.289 nan 8.150 nan 0.000 0.503 467 G N 1.555 110.043 108.800 -0.519 0.000 2.217 467 G HA2 -0.251 3.709 3.960 0.000 0.000 0.246 467 G HA3 -0.251 3.709 3.960 0.000 0.000 0.246 467 G C 0.563 174.981 174.900 -0.804 0.000 0.990 467 G CA 0.495 45.112 45.100 -0.806 0.000 0.627 467 G HN 0.989 nan 8.290 nan 0.000 0.522 468 R N 0.949 121.127 120.500 -0.538 0.000 2.210 468 R HA 0.558 4.898 4.340 0.000 0.000 0.338 468 R C 0.482 176.699 176.300 -0.138 0.000 1.062 468 R CA -0.606 55.310 56.100 -0.306 0.000 0.902 468 R CB -0.160 30.023 30.300 -0.195 0.000 1.050 468 R HN 0.369 nan 8.270 nan 0.000 0.461 469 F N 1.944 121.843 119.950 -0.086 0.000 2.408 469 F HA 0.584 5.111 4.527 0.000 0.000 0.325 469 F C -0.702 175.162 175.800 0.107 0.000 1.082 469 F CA -0.893 57.183 58.000 0.127 0.000 1.032 469 F CB 0.858 39.956 39.000 0.163 0.000 1.259 469 F HN 0.182 nan 8.300 nan 0.000 0.503 470 K N 1.256 121.891 120.400 0.392 0.000 2.328 470 K HA 0.739 5.059 4.320 0.000 0.000 0.246 470 K C -1.715 175.125 176.600 0.400 0.000 0.955 470 K CA -1.202 55.229 56.287 0.239 0.000 0.817 470 K CB 2.768 35.359 32.500 0.152 0.000 1.208 470 K HN 0.538 nan 8.250 nan 0.000 0.432 471 V N 2.665 122.721 119.914 0.236 0.000 2.487 471 V HA 0.303 4.423 4.120 0.000 0.000 0.298 471 V C -1.167 175.000 176.094 0.123 0.000 1.028 471 V CA -0.949 61.503 62.300 0.252 0.000 0.860 471 V CB 1.585 33.541 31.823 0.222 0.000 0.991 471 V HN 0.532 nan 8.190 nan 0.000 0.427 472 L N 6.238 127.548 121.223 0.145 0.000 2.276 472 L HA 0.663 5.003 4.340 0.000 0.000 0.286 472 L C -0.388 176.549 176.870 0.112 0.000 1.024 472 L CA 0.063 54.937 54.840 0.057 0.000 0.826 472 L CB 1.112 43.134 42.059 -0.061 0.000 1.211 472 L HN 0.672 nan 8.230 nan 0.000 0.422 473 M N 4.807 124.470 119.600 0.106 0.000 2.264 473 M HA 0.579 5.059 4.480 0.000 0.000 0.352 473 M C -0.928 175.441 176.300 0.114 0.000 1.173 473 M CA -0.406 54.952 55.300 0.097 0.000 1.075 473 M CB 1.805 34.454 32.600 0.082 0.000 1.621 473 M HN 0.434 nan 8.290 nan 0.000 0.457 474 V N 2.270 122.246 119.914 0.103 0.000 2.876 474 V HA 0.199 4.319 4.120 0.000 0.000 0.312 474 V C -0.181 175.965 176.094 0.087 0.000 1.085 474 V CA -0.465 61.903 62.300 0.113 0.000 0.945 474 V CB 2.224 34.129 31.823 0.136 0.000 1.017 474 V HN 0.846 nan 8.190 nan 0.000 0.428 475 D N 1.394 121.842 120.400 0.081 0.000 2.144 475 D HA 0.031 4.671 4.640 0.000 0.000 0.207 475 D C 0.755 177.096 176.300 0.070 0.000 0.970 475 D CA 1.508 55.548 54.000 0.067 0.000 0.853 475 D CB 0.350 41.184 40.800 0.056 0.000 1.007 475 D HN 0.738 nan 8.370 nan 0.000 0.469 476 T N -0.884 113.716 114.554 0.076 0.000 2.881 476 T HA 0.544 4.894 4.350 0.000 0.000 0.290 476 T C -0.817 173.940 174.700 0.095 0.000 1.000 476 T CA -0.985 61.163 62.100 0.080 0.000 0.978 476 T CB 1.786 70.695 68.868 0.068 0.000 0.997 476 T HN -0.013 nan 8.240 nan 0.000 0.443 477 L N 2.585 123.870 121.223 0.104 0.000 2.325 477 L HA 0.948 5.288 4.340 0.000 0.000 0.278 477 L C -0.346 176.609 176.870 0.142 0.000 1.023 477 L CA -0.343 54.568 54.840 0.118 0.000 0.811 477 L CB 1.125 43.242 42.059 0.096 0.000 1.249 477 L HN 1.226 nan 8.230 nan 0.000 0.431 478 A N 2.319 125.242 122.820 0.171 0.000 2.610 478 A HA 0.848 5.168 4.320 0.000 0.000 0.291 478 A C 0.038 177.753 177.584 0.217 0.000 1.086 478 A CA 0.021 52.157 52.037 0.166 0.000 0.677 478 A CB 0.632 19.692 19.000 0.099 0.000 1.278 478 A HN 1.862 nan 8.150 nan 0.000 0.414 479 G N -0.201 108.674 108.800 0.126 0.000 2.498 479 G HA2 0.294 4.254 3.960 0.000 0.000 0.251 479 G HA3 0.294 4.254 3.960 0.000 0.000 0.251 479 G C 0.296 175.207 174.900 0.018 0.000 1.170 479 G CA 0.693 45.842 45.100 0.083 0.000 0.944 479 G HN 2.434 nan 8.290 nan 0.000 0.567 480 S N -0.135 115.608 115.700 0.072 0.000 2.653 480 S HA 0.715 5.185 4.470 0.000 0.000 0.268 480 S C 0.007 174.691 174.600 0.139 0.000 1.153 480 S CA 0.776 58.962 58.200 -0.023 0.000 1.036 480 S CB 0.526 63.657 63.200 -0.114 0.000 1.103 480 S HN 2.383 nan 8.310 nan 0.000 0.466 481 G N 2.515 111.521 108.800 0.343 0.000 2.827 481 G HA2 0.659 4.619 3.960 0.000 0.000 0.296 481 G HA3 0.659 4.619 3.960 0.000 0.000 0.296 481 G C -1.941 173.028 174.900 0.115 0.000 1.362 481 G CA -0.668 44.508 45.100 0.127 0.000 0.809 481 G HN 0.732 nan 8.290 nan 0.000 0.522 482 L N -0.445 120.743 121.223 -0.057 0.000 2.331 482 L HA 0.770 5.110 4.340 0.000 0.000 0.275 482 L C -1.351 175.401 176.870 -0.196 0.000 1.022 482 L CA -0.955 53.891 54.840 0.009 0.000 0.812 482 L CB 1.688 43.750 42.059 0.005 0.000 1.257 482 L HN 0.440 nan 8.230 nan 0.000 0.435 483 F N 2.987 122.998 119.950 0.101 0.000 2.610 483 F HA 0.430 4.957 4.527 0.000 0.000 0.355 483 F C -0.031 175.801 175.800 0.052 0.000 1.140 483 F CA -0.674 57.375 58.000 0.082 0.000 1.037 483 F CB 1.154 40.179 39.000 0.042 0.000 1.287 483 F HN 0.266 nan 8.300 nan 0.000 0.457 484 R N 4.444 125.070 120.500 0.210 0.000 2.316 484 R HA 0.545 4.885 4.340 0.000 0.000 0.314 484 R C -0.601 175.743 176.300 0.075 0.000 1.069 484 R CA 0.144 56.381 56.100 0.228 0.000 0.959 484 R CB 0.672 31.083 30.300 0.184 0.000 0.987 484 R HN 0.627 nan 8.270 nan 0.000 0.446 485 M N 2.088 121.657 119.600 -0.052 0.000 2.530 485 M HA 0.321 4.801 4.480 0.000 0.000 0.307 485 M C -0.459 175.706 176.300 -0.225 0.000 1.161 485 M CA -0.863 54.241 55.300 -0.327 0.000 0.903 485 M CB 2.297 34.558 32.600 -0.565 0.000 1.711 485 M HN 0.389 nan 8.290 nan 0.000 0.451 486 N N 1.288 119.859 118.700 -0.214 0.000 2.498 486 N HA 0.563 5.303 4.740 0.000 0.000 0.287 486 N C -1.393 173.806 175.510 -0.518 0.000 1.097 486 N CA -0.212 52.643 53.050 -0.326 0.000 0.973 486 N CB 2.249 40.596 38.487 -0.233 0.000 1.153 486 N HN 0.297 nan 8.380 nan 0.000 0.472 487 V N 2.630 122.096 119.914 -0.746 0.000 2.709 487 V HA 0.479 4.599 4.120 0.000 0.000 0.308 487 V C -1.187 174.400 176.094 -0.846 0.000 1.062 487 V CA -0.687 61.220 62.300 -0.656 0.000 0.901 487 V CB 1.368 32.907 31.823 -0.473 0.000 1.003 487 V HN 0.450 nan 8.190 nan 0.000 0.425 488 F N 2.924 122.798 119.950 -0.127 0.000 2.445 488 F HA 0.686 5.213 4.527 0.000 0.000 0.348 488 F C 0.956 176.689 175.800 -0.112 0.000 1.125 488 F CA -0.283 57.665 58.000 -0.087 0.000 0.983 488 F CB 1.596 40.576 39.000 -0.034 0.000 1.198 488 F HN 0.591 nan 8.300 nan 0.000 0.436 489 A N 2.533 125.356 122.820 0.006 0.000 1.823 489 A HA -0.172 4.148 4.320 0.000 0.000 0.214 489 A C 1.986 179.556 177.584 -0.024 0.000 1.227 489 A CA 1.913 53.918 52.037 -0.053 0.000 0.616 489 A CB -0.638 18.337 19.000 -0.042 0.000 0.874 489 A HN 0.754 nan 8.150 nan 0.000 0.455 490 D N -0.071 120.324 120.400 -0.008 0.000 2.363 490 D HA 0.025 4.665 4.640 0.000 0.000 0.226 490 D C 1.470 177.768 176.300 -0.002 0.000 1.020 490 D CA 0.443 54.431 54.000 -0.021 0.000 0.892 490 D CB -0.278 40.510 40.800 -0.020 0.000 0.900 490 D HN 0.456 nan 8.370 nan 0.000 0.531 491 L N -0.079 121.158 121.223 0.024 0.000 2.375 491 L HA 0.214 4.554 4.340 0.000 0.000 0.215 491 L C 1.653 178.529 176.870 0.010 0.000 1.108 491 L CA 0.580 55.433 54.840 0.021 0.000 0.830 491 L CB -0.228 41.850 42.059 0.032 0.000 0.959 491 L HN 0.210 nan 8.230 nan 0.000 0.457 492 G N 1.010 109.814 108.800 0.006 0.000 2.246 492 G HA2 -0.270 3.690 3.960 0.000 0.000 0.273 492 G HA3 -0.270 3.690 3.960 0.000 0.000 0.273 492 G C -0.212 174.661 174.900 -0.046 0.000 1.055 492 G CA 0.107 45.190 45.100 -0.029 0.000 0.851 492 G HN 0.209 nan 8.290 nan 0.000 0.500 493 L N -0.036 121.191 121.223 0.007 0.000 2.354 493 L HA 0.874 5.214 4.340 0.000 0.000 0.264 493 L C 0.338 177.248 176.870 0.067 0.000 1.008 493 L CA -0.391 54.427 54.840 -0.035 0.000 0.819 493 L CB 2.526 44.594 42.059 0.014 0.000 1.339 493 L HN 0.579 nan 8.230 nan 0.000 0.420 494 S N -1.113 114.500 115.700 -0.146 0.000 2.547 494 S HA 0.423 4.893 4.470 0.000 0.000 0.270 494 S C -1.533 172.994 174.600 -0.122 0.000 1.150 494 S CA -1.140 57.008 58.200 -0.086 0.000 0.850 494 S CB 1.784 64.859 63.200 -0.208 0.000 1.118 494 S HN 0.479 nan 8.310 nan 0.000 0.461 495 D N 1.930 122.360 120.400 0.049 0.000 2.533 495 D HA 0.237 4.877 4.640 0.000 0.000 0.236 495 D C -0.001 176.241 176.300 -0.096 0.000 1.137 495 D CA 0.854 54.917 54.000 0.104 0.000 0.867 495 D CB 0.382 41.160 40.800 -0.036 0.000 1.170 495 D HN 0.437 nan 8.370 nan 0.000 0.474 496 K N 1.295 121.732 120.400 0.062 0.000 2.238 496 K HA 0.659 4.979 4.320 0.000 0.000 0.239 496 K C -0.543 176.096 176.600 0.064 0.000 0.987 496 K CA -0.931 55.338 56.287 -0.030 0.000 0.857 496 K CB 2.052 34.537 32.500 -0.025 0.000 1.154 496 K HN 0.270 nan 8.250 nan 0.000 0.439 497 L N 2.212 123.399 121.223 -0.060 0.000 2.441 497 L HA 0.416 4.756 4.340 0.000 0.000 0.270 497 L C -1.644 175.179 176.870 -0.078 0.000 0.973 497 L CA -0.880 53.936 54.840 -0.040 0.000 0.842 497 L CB 1.593 43.511 42.059 -0.235 0.000 1.239 497 L HN 0.334 nan 8.230 nan 0.000 0.406 498 V N 5.496 125.410 119.914 0.000 0.000 2.417 498 V HA 0.440 4.560 4.120 0.000 0.000 0.291 498 V C -0.080 176.029 176.094 0.026 0.000 1.024 498 V CA -0.550 61.754 62.300 0.007 0.000 0.861 498 V CB 1.938 33.781 31.823 0.034 0.000 0.985 498 V HN 0.472 nan 8.190 nan 0.000 0.436 499 V N 6.338 126.268 119.914 0.027 0.000 2.398 499 V HA 0.363 4.483 4.120 0.000 0.000 0.286 499 V C 0.488 176.618 176.094 0.060 0.000 1.026 499 V CA -0.235 62.098 62.300 0.055 0.000 0.868 499 V CB 1.597 33.464 31.823 0.073 0.000 0.982 499 V HN 0.899 nan 8.190 nan 0.000 0.443 500 M N 2.814 122.451 119.600 0.061 0.000 2.556 500 M HA 0.213 4.693 4.480 0.000 0.000 0.264 500 M C 2.013 178.346 176.300 0.054 0.000 1.163 500 M CA 0.947 56.279 55.300 0.054 0.000 1.186 500 M CB 0.210 32.840 32.600 0.050 0.000 1.321 500 M HN 0.578 nan 8.290 nan 0.000 0.485 501 R N -0.190 120.344 120.500 0.057 0.000 2.121 501 R HA 0.061 4.401 4.340 0.000 0.000 0.206 501 R C -0.315 176.021 176.300 0.060 0.000 1.094 501 R CA 0.807 56.939 56.100 0.053 0.000 1.055 501 R CB 0.752 31.081 30.300 0.047 0.000 0.964 501 R HN 0.163 nan 8.270 nan 0.000 0.473 502 D N -0.006 120.435 120.400 0.068 0.000 2.966 502 D HA 0.327 4.967 4.640 0.000 0.000 0.222 502 D C -1.965 174.389 176.300 0.089 0.000 1.292 502 D CA -0.240 53.804 54.000 0.074 0.000 0.907 502 D CB 2.221 43.058 40.800 0.062 0.000 1.621 502 D HN 0.233 nan 8.370 nan 0.000 0.557 503 A N 2.146 125.028 122.820 0.104 0.000 2.365 503 A HA 0.816 5.136 4.320 0.000 0.000 0.318 503 A C -0.750 176.897 177.584 0.105 0.000 1.091 503 A CA -0.413 51.699 52.037 0.124 0.000 0.763 503 A CB 1.520 20.619 19.000 0.166 0.000 1.248 503 A HN 0.682 nan 8.150 nan 0.000 0.442 504 S N 0.253 116.016 115.700 0.104 0.000 2.547 504 S HA 0.891 5.361 4.470 0.000 0.000 0.270 504 S C -0.245 174.356 174.600 0.001 0.000 1.150 504 S CA 0.010 58.237 58.200 0.045 0.000 0.850 504 S CB 0.940 64.163 63.200 0.038 0.000 1.118 504 S HN 2.829 nan 8.310 nan 0.000 0.461 505 G N 0.963 109.674 108.800 -0.148 0.000 2.555 505 G HA2 0.191 4.152 3.960 0.000 0.000 0.686 505 G HA3 0.191 4.152 3.960 0.000 0.000 0.686 505 G C -1.523 172.991 174.900 -0.643 0.000 1.275 505 G CA -0.994 43.897 45.100 -0.347 0.000 0.871 505 G HN 0.915 nan 8.290 nan 0.000 0.603 506 Q N 0.695 120.132 119.800 -0.605 0.000 2.314 506 Q HA 0.617 4.957 4.340 0.000 0.000 0.257 506 Q C 0.193 175.778 176.000 -0.691 0.000 0.975 506 Q CA 0.100 55.579 55.803 -0.540 0.000 0.933 506 Q CB 0.678 29.256 28.738 -0.268 0.000 1.195 506 Q HN 0.659 nan 8.270 nan 0.000 0.426 507 H N 0.419 119.266 119.070 -0.372 0.000 2.737 507 H HA 0.703 5.259 4.556 0.000 0.000 0.358 507 H C -0.541 174.767 175.328 -0.033 0.000 1.187 507 H CA -1.060 54.881 56.048 -0.178 0.000 1.221 507 H CB 1.596 31.252 29.762 -0.177 0.000 1.799 507 H HN 0.346 nan 8.280 nan 0.000 0.568 508 R N 0.871 121.546 120.500 0.293 0.000 2.686 508 R HA 0.502 4.842 4.340 0.000 0.000 0.283 508 R C -1.399 175.088 176.300 0.313 0.000 0.978 508 R CA -0.805 55.436 56.100 0.236 0.000 0.897 508 R CB 1.989 32.387 30.300 0.164 0.000 1.192 508 R HN 0.360 nan 8.270 nan 0.000 0.457 509 L N 1.859 123.222 121.223 0.233 0.000 2.342 509 L HA 0.454 4.794 4.340 0.000 0.000 0.276 509 L C -0.946 176.025 176.870 0.168 0.000 0.997 509 L CA -0.691 54.262 54.840 0.189 0.000 0.838 509 L CB 1.174 43.269 42.059 0.061 0.000 1.224 509 L HN 0.528 nan 8.230 nan 0.000 0.416 510 W N 4.489 125.800 121.300 0.018 0.000 2.381 510 W HA 0.590 5.250 4.660 0.000 0.000 0.329 510 W C -0.845 175.636 176.519 -0.064 0.000 1.157 510 W CA -0.259 57.077 57.345 -0.015 0.000 1.240 510 W CB 1.398 30.853 29.460 -0.009 0.000 1.199 510 W HN 0.101 nan 8.180 nan 0.000 0.579 511 V N 6.817 126.253 119.914 -0.796 0.000 2.444 511 V HA 0.416 4.536 4.120 0.000 0.000 0.294 511 V C -0.238 175.289 176.094 -0.945 0.000 1.022 511 V CA -1.163 60.749 62.300 -0.647 0.000 0.850 511 V CB 1.340 32.859 31.823 -0.507 0.000 0.992 511 V HN 0.500 nan 8.190 nan 0.000 0.426 512 R N 3.170 123.393 120.500 -0.462 0.000 2.312 512 R HA 0.367 4.707 4.340 0.000 0.000 0.311 512 R C -0.123 175.992 176.300 -0.309 0.000 1.004 512 R CA -0.608 55.324 56.100 -0.280 0.000 0.902 512 R CB 0.749 31.108 30.300 0.098 0.000 1.073 512 R HN 0.739 nan 8.270 nan 0.000 0.457 513 N N 1.546 120.094 118.700 -0.254 0.000 2.415 513 N HA 0.042 4.782 4.740 0.000 0.000 0.250 513 N C -0.618 174.782 175.510 -0.182 0.000 1.127 513 N CA 0.297 53.208 53.050 -0.232 0.000 0.945 513 N CB 0.989 39.384 38.487 -0.153 0.000 1.196 513 N HN 0.454 nan 8.380 nan 0.000 0.499 514 S N 0.831 116.347 115.700 -0.307 0.000 2.520 514 S HA 0.296 4.766 4.470 0.000 0.000 0.219 514 S C 0.600 175.223 174.600 0.038 0.000 1.028 514 S CA -0.250 57.836 58.200 -0.192 0.000 0.921 514 S CB 0.626 63.639 63.200 -0.311 0.000 0.844 514 S HN 0.581 nan 8.310 nan 0.000 0.495 515 G N 2.352 111.167 108.800 0.025 0.000 2.487 515 G HA2 0.495 4.456 3.960 0.000 0.000 0.314 515 G HA3 0.495 4.456 3.960 0.000 0.000 0.314 515 G C -0.129 174.820 174.900 0.081 0.000 1.267 515 G CA -0.492 44.761 45.100 0.254 0.000 0.937 515 G HN 0.264 nan 8.290 nan 0.000 0.481 516 S N 1.921 117.666 115.700 0.075 0.000 2.560 516 S HA 0.129 4.599 4.470 0.000 0.000 0.276 516 S C 0.425 175.045 174.600 0.033 0.000 1.350 516 S CA -0.337 57.889 58.200 0.043 0.000 1.024 516 S CB 0.541 63.767 63.200 0.044 0.000 0.864 516 S HN 0.735 nan 8.310 nan 0.000 0.536 517 E N 1.334 121.554 120.200 0.034 0.000 2.459 517 E HA 0.270 4.620 4.350 0.000 0.000 0.264 517 E C -2.315 174.301 176.600 0.027 0.000 1.055 517 E CA -1.233 55.193 56.400 0.044 0.000 0.957 517 E CB -0.889 28.858 29.700 0.077 0.000 0.952 517 E HN 0.535 nan 8.360 nan 0.000 0.448 518 P HA 0.196 nan 4.420 nan 0.000 0.287 518 P C -0.331 176.923 177.300 -0.078 0.000 1.270 518 P CA -0.552 62.493 63.100 -0.091 0.000 0.844 518 P CB 1.719 33.280 31.700 -0.231 0.000 1.068 519 A N 2.304 125.090 122.820 -0.056 0.000 1.898 519 A HA 0.005 4.325 4.320 0.000 0.000 0.216 519 A C 1.131 178.701 177.584 -0.024 0.000 1.181 519 A CA 1.562 53.593 52.037 -0.009 0.000 0.620 519 A CB -0.742 18.255 19.000 -0.004 0.000 0.819 519 A HN 0.627 nan 8.150 nan 0.000 0.442 520 S N -2.550 113.058 115.700 -0.153 0.000 2.921 520 S HA 0.711 5.181 4.470 0.000 0.000 0.315 520 S C -0.364 173.920 174.600 -0.528 0.000 1.087 520 S CA -0.094 58.011 58.200 -0.157 0.000 0.877 520 S CB 1.411 64.572 63.200 -0.065 0.000 1.340 520 S HN 0.832 nan 8.310 nan 0.000 0.622 521 A N 2.548 125.229 122.820 -0.232 0.000 2.328 521 A HA 0.606 4.926 4.320 0.000 0.000 0.318 521 A C -0.448 177.087 177.584 -0.080 0.000 1.347 521 A CA -0.849 51.057 52.037 -0.218 0.000 0.842 521 A CB -0.408 18.645 19.000 0.088 0.000 1.148 521 A HN 0.731 nan 8.150 nan 0.000 0.499 522 N N 1.280 119.957 118.700 -0.039 0.000 2.238 522 N HA 0.522 5.262 4.740 0.000 0.000 0.302 522 N C -0.275 175.293 175.510 0.096 0.000 1.072 522 N CA -0.491 52.567 53.050 0.014 0.000 0.792 522 N CB 1.870 40.347 38.487 -0.016 0.000 1.425 522 N HN 0.433 nan 8.380 nan 0.000 0.478 523 T N -0.884 113.705 114.554 0.057 0.000 2.868 523 T HA 0.476 4.826 4.350 0.000 0.000 0.292 523 T C -0.002 174.696 174.700 -0.004 0.000 1.028 523 T CA -0.391 61.746 62.100 0.063 0.000 1.059 523 T CB 0.643 69.524 68.868 0.022 0.000 0.991 523 T HN 0.547 nan 8.240 nan 0.000 0.531 524 M N 2.297 121.873 119.600 -0.039 0.000 2.224 524 M HA 0.352 4.832 4.480 0.000 0.000 0.281 524 M C -1.230 175.002 176.300 -0.113 0.000 1.025 524 M CA -0.919 54.317 55.300 -0.106 0.000 0.954 524 M CB 2.307 34.806 32.600 -0.169 0.000 1.639 524 M HN 0.607 nan 8.290 nan 0.000 0.461 525 L N 4.112 125.262 121.223 -0.122 0.000 2.418 525 L HA 0.224 4.564 4.340 0.000 0.000 0.274 525 L C -0.163 176.614 176.870 -0.155 0.000 1.135 525 L CA 0.744 55.514 54.840 -0.116 0.000 0.870 525 L CB 0.310 42.308 42.059 -0.103 0.000 1.154 525 L HN 0.871 nan 8.230 nan 0.000 0.462 526 L N 4.681 125.813 121.223 -0.151 0.000 2.467 526 L HA 0.294 4.634 4.340 0.000 0.000 0.213 526 L C -0.306 176.406 176.870 -0.263 0.000 1.053 526 L CA 0.151 54.860 54.840 -0.217 0.000 0.847 526 L CB 0.465 42.388 42.059 -0.226 0.000 1.075 526 L HN 0.379 nan 8.230 nan 0.000 0.479 527 V N 0.417 120.188 119.914 -0.238 0.000 2.623 527 V HA 0.313 4.433 4.120 0.000 0.000 0.304 527 V C -0.985 175.038 176.094 -0.119 0.000 1.054 527 V CA -0.611 61.488 62.300 -0.336 0.000 0.882 527 V CB 1.890 33.201 31.823 -0.853 0.000 1.002 527 V HN 0.189 nan 8.190 nan 0.000 0.424 528 Q N 3.602 123.349 119.800 -0.087 0.000 2.331 528 Q HA 0.801 5.141 4.340 0.000 0.000 0.267 528 Q C -0.490 175.529 176.000 0.033 0.000 1.006 528 Q CA -0.165 55.641 55.803 0.005 0.000 0.818 528 Q CB 2.151 30.887 28.738 -0.003 0.000 1.276 528 Q HN 0.972 nan 8.270 nan 0.000 0.450 529 T N 0.866 115.483 114.554 0.104 0.000 2.865 529 T HA 0.748 5.098 4.350 0.000 0.000 0.294 529 T C -2.568 172.202 174.700 0.117 0.000 1.119 529 T CA -2.114 60.063 62.100 0.128 0.000 1.007 529 T CB 1.311 70.309 68.868 0.216 0.000 1.225 529 T HN 0.539 nan 8.240 nan 0.000 0.515 530 P HA 0.094 nan 4.420 nan 0.000 0.270 530 P C 0.864 178.217 177.300 0.088 0.000 1.221 530 P CA -0.299 62.851 63.100 0.084 0.000 0.788 530 P CB 0.751 32.498 31.700 0.079 0.000 0.904 531 R N 1.519 122.057 120.500 0.064 0.000 2.132 531 R HA -0.130 4.210 4.340 0.000 0.000 0.233 531 R C 1.876 178.212 176.300 0.060 0.000 1.125 531 R CA 2.187 58.319 56.100 0.052 0.000 0.914 531 R CB -1.441 28.881 30.300 0.036 0.000 0.845 531 R HN 0.639 nan 8.270 nan 0.000 0.431 532 G N 1.040 109.876 108.800 0.060 0.000 3.678 532 G HA2 0.056 4.016 3.960 0.000 0.000 0.287 532 G HA3 0.056 4.016 3.960 0.000 0.000 0.287 532 G C -0.101 174.848 174.900 0.083 0.000 1.280 532 G CA -0.341 44.795 45.100 0.061 0.000 1.118 532 G HN 0.123 nan 8.290 nan 0.000 0.563 533 S N -0.325 115.444 115.700 0.115 0.000 2.573 533 S HA 0.375 4.845 4.470 0.000 0.000 0.277 533 S C 1.462 176.152 174.600 0.149 0.000 1.346 533 S CA 0.268 58.554 58.200 0.143 0.000 1.034 533 S CB 0.963 64.284 63.200 0.202 0.000 0.879 533 S HN 0.562 nan 8.310 nan 0.000 0.528 534 A N 3.034 125.927 122.820 0.122 0.000 2.387 534 A HA 0.628 4.948 4.320 0.000 0.000 0.234 534 A C 0.713 178.346 177.584 0.081 0.000 1.253 534 A CA 0.220 52.315 52.037 0.096 0.000 0.894 534 A CB -0.344 18.692 19.000 0.059 0.000 0.963 534 A HN 1.012 nan 8.150 nan 0.000 0.508 535 A N 0.134 123.019 122.820 0.109 0.000 2.304 535 A HA 0.645 4.965 4.320 0.000 0.000 0.301 535 A C 0.209 177.747 177.584 -0.077 0.000 1.132 535 A CA -0.032 51.983 52.037 -0.036 0.000 0.819 535 A CB 0.254 19.235 19.000 -0.030 0.000 1.094 535 A HN 0.314 nan 8.150 nan 0.000 0.492 536 T N 0.620 114.929 114.554 -0.409 0.000 2.863 536 T HA 0.700 5.050 4.350 0.000 0.000 0.285 536 T C -0.942 173.190 174.700 -0.946 0.000 1.009 536 T CA -0.156 61.699 62.100 -0.409 0.000 0.989 536 T CB 0.853 69.663 68.868 -0.097 0.000 1.004 536 T HN 0.340 nan 8.240 nan 0.000 0.455 537 F N 1.190 120.607 119.950 -0.887 0.000 2.563 537 F HA 0.702 5.229 4.527 0.000 0.000 0.316 537 F C 0.498 176.208 175.800 -0.150 0.000 1.076 537 F CA -0.775 56.893 58.000 -0.554 0.000 0.921 537 F CB 2.543 41.046 39.000 -0.828 0.000 1.209 537 F HN 0.707 nan 8.300 nan 0.000 0.462 538 T N 0.191 114.827 114.554 0.136 0.000 2.916 538 T HA 0.569 4.919 4.350 0.000 0.000 0.298 538 T C -1.113 173.670 174.700 0.138 0.000 1.031 538 T CA -0.793 61.398 62.100 0.151 0.000 0.993 538 T CB 1.566 70.496 68.868 0.103 0.000 1.045 538 T HN 0.472 nan 8.240 nan 0.000 0.454 539 L N 2.916 124.211 121.223 0.120 0.000 2.477 539 L HA 0.503 4.843 4.340 0.000 0.000 0.272 539 L C 1.423 178.343 176.870 0.083 0.000 1.157 539 L CA 0.364 55.250 54.840 0.077 0.000 0.889 539 L CB 0.355 42.439 42.059 0.042 0.000 1.158 539 L HN 1.025 nan 8.230 nan 0.000 0.473 540 A N 3.503 126.391 122.820 0.113 0.000 2.132 540 A HA 0.061 4.381 4.320 0.000 0.000 0.213 540 A C 0.896 178.609 177.584 0.215 0.000 1.154 540 A CA 0.044 52.192 52.037 0.185 0.000 0.753 540 A CB -0.743 18.424 19.000 0.278 0.000 0.826 540 A HN 0.818 nan 8.150 nan 0.000 0.469 541 N N 0.825 119.566 118.700 0.069 0.000 2.381 541 N HA 0.231 4.971 4.740 0.000 0.000 0.241 541 N C 0.137 175.687 175.510 0.068 0.000 1.279 541 N CA -0.122 52.933 53.050 0.009 0.000 0.896 541 N CB 0.212 38.561 38.487 -0.231 0.000 1.118 541 N HN 0.043 nan 8.380 nan 0.000 0.438 542 K N 1.559 122.010 120.400 0.085 0.000 2.491 542 K HA -0.069 4.251 4.320 0.000 0.000 0.279 542 K C -0.584 176.041 176.600 0.041 0.000 1.026 542 K CA 0.456 56.785 56.287 0.070 0.000 1.070 542 K CB -0.451 32.091 32.500 0.070 0.000 0.887 542 K HN 0.597 nan 8.250 nan 0.000 0.481 543 D N 3.078 123.503 120.400 0.043 0.000 3.090 543 D HA -0.169 4.471 4.640 0.000 0.000 0.215 543 D C 0.540 176.859 176.300 0.032 0.000 1.140 543 D CA 1.497 55.517 54.000 0.033 0.000 0.937 543 D CB -1.535 39.280 40.800 0.025 0.000 1.108 543 D HN 0.916 nan 8.370 nan 0.000 0.420 544 G N -0.048 108.774 108.800 0.037 0.000 2.179 544 G HA2 -0.323 3.637 3.960 0.000 0.000 0.257 544 G HA3 -0.323 3.637 3.960 0.000 0.000 0.257 544 G C 0.119 175.037 174.900 0.030 0.000 1.010 544 G CA 1.338 46.462 45.100 0.040 0.000 0.736 544 G HN 0.788 nan 8.290 nan 0.000 0.513 545 K N -1.631 118.778 120.400 0.015 0.000 2.508 545 K HA 0.834 5.154 4.320 0.000 0.000 0.260 545 K C -1.004 175.590 176.600 -0.011 0.000 0.949 545 K CA -1.040 55.257 56.287 0.016 0.000 0.834 545 K CB 2.629 35.141 32.500 0.019 0.000 1.365 545 K HN 0.903 nan 8.250 nan 0.000 0.437 546 V N 1.409 121.329 119.914 0.011 0.000 2.531 546 V HA 0.446 4.566 4.120 0.000 0.000 0.301 546 V C -1.409 174.729 176.094 0.073 0.000 1.034 546 V CA -0.558 61.728 62.300 -0.024 0.000 0.865 546 V CB 1.694 33.432 31.823 -0.141 0.000 0.995 546 V HN 0.870 nan 8.190 nan 0.000 0.424 547 D N 7.027 127.449 120.400 0.037 0.000 2.359 547 D HA 0.401 5.041 4.640 0.000 0.000 0.230 547 D C -0.353 175.996 176.300 0.082 0.000 1.118 547 D CA 0.195 54.238 54.000 0.072 0.000 0.844 547 D CB 1.496 42.316 40.800 0.034 0.000 1.059 547 D HN 0.495 nan 8.370 nan 0.000 0.493 548 I N 2.484 123.156 120.570 0.170 0.000 2.388 548 I HA 0.253 4.423 4.170 0.000 0.000 0.281 548 I C 1.297 177.523 176.117 0.182 0.000 1.046 548 I CA -0.392 60.993 61.300 0.142 0.000 1.187 548 I CB 1.153 39.236 38.000 0.138 0.000 1.351 548 I HN 0.498 nan 8.210 nan 0.000 0.472 549 G N 4.939 113.810 108.800 0.119 0.000 2.591 549 G HA2 -0.364 3.596 3.960 0.000 0.000 0.298 549 G HA3 -0.364 3.596 3.960 0.000 0.000 0.298 549 G C 0.716 175.689 174.900 0.121 0.000 1.195 549 G CA 0.511 45.685 45.100 0.124 0.000 0.989 549 G HN 0.681 nan 8.290 nan 0.000 0.551 550 T N -1.814 112.832 114.554 0.154 0.000 3.393 550 T HA 0.592 4.942 4.350 0.000 0.000 0.248 550 T C 0.017 174.568 174.700 -0.249 0.000 0.992 550 T CA 0.593 62.673 62.100 -0.035 0.000 0.929 550 T CB -0.348 68.459 68.868 -0.102 0.000 1.065 550 T HN 0.644 nan 8.240 nan 0.000 0.597 551 Y N -0.139 120.142 120.300 -0.032 0.000 2.581 551 Y HA 0.683 5.233 4.550 0.000 0.000 0.345 551 Y C 0.134 175.967 175.900 -0.112 0.000 1.036 551 Y CA -1.615 56.421 58.100 -0.107 0.000 1.042 551 Y CB 1.917 40.295 38.460 -0.136 0.000 1.289 551 Y HN 0.006 nan 8.280 nan 0.000 0.471 552 R N 1.326 121.777 120.500 -0.081 0.000 2.628 552 R HA 0.524 4.864 4.340 0.000 0.000 0.288 552 R C -2.161 174.005 176.300 -0.224 0.000 0.980 552 R CA -0.772 55.285 56.100 -0.071 0.000 0.891 552 R CB 1.442 31.708 30.300 -0.056 0.000 1.188 552 R HN 0.763 nan 8.270 nan 0.000 0.450 553 Y N 2.110 122.411 120.300 0.001 0.000 2.446 553 Y HA 0.535 5.085 4.550 0.000 0.000 0.345 553 Y C 0.094 175.979 175.900 -0.025 0.000 0.984 553 Y CA -0.711 57.379 58.100 -0.017 0.000 1.058 553 Y CB 2.109 40.541 38.460 -0.048 0.000 1.220 553 Y HN 0.298 nan 8.280 nan 0.000 0.455 554 R N 2.170 122.752 120.500 0.137 0.000 2.725 554 R HA 0.491 4.831 4.340 0.000 0.000 0.277 554 R C -1.820 174.535 176.300 0.091 0.000 0.987 554 R CA -1.367 54.785 56.100 0.086 0.000 0.901 554 R CB 2.529 32.859 30.300 0.049 0.000 1.207 554 R HN 0.543 nan 8.270 nan 0.000 0.463 555 L N 1.968 123.246 121.223 0.092 0.000 2.313 555 L HA 0.497 4.837 4.340 0.000 0.000 0.282 555 L C -0.813 176.131 176.870 0.123 0.000 1.092 555 L CA 0.385 55.297 54.840 0.120 0.000 0.831 555 L CB 0.914 43.074 42.059 0.167 0.000 1.159 555 L HN 0.820 nan 8.230 nan 0.000 0.442 556 A N 4.751 127.612 122.820 0.067 0.000 2.374 556 A HA 0.908 5.228 4.320 0.000 0.000 0.305 556 A C -0.898 176.595 177.584 -0.151 0.000 1.053 556 A CA -0.142 51.881 52.037 -0.023 0.000 0.726 556 A CB 1.371 20.349 19.000 -0.037 0.000 1.229 556 A HN 0.996 nan 8.150 nan 0.000 0.431 557 A N 2.514 125.088 122.820 -0.409 0.000 2.337 557 A HA 0.854 5.174 4.320 0.000 0.000 0.329 557 A C -0.599 176.666 177.584 -0.532 0.000 1.146 557 A CA -0.655 50.932 52.037 -0.750 0.000 0.800 557 A CB 0.972 18.737 19.000 -2.058 0.000 1.220 557 A HN 0.734 nan 8.150 nan 0.000 0.472 558 N N -0.542 117.923 118.700 -0.392 0.000 2.308 558 N HA 0.607 5.348 4.740 0.000 0.000 0.283 558 N C 0.577 175.972 175.510 -0.191 0.000 1.105 558 N CA 0.736 53.631 53.050 -0.258 0.000 0.840 558 N CB 2.197 40.583 38.487 -0.168 0.000 1.633 558 N HN 1.413 nan 8.380 nan 0.000 0.476 559 G N 2.073 110.788 108.800 -0.142 0.000 3.586 559 G HA2 -0.287 3.673 3.960 0.000 0.000 0.212 559 G HA3 -0.287 3.673 3.960 0.000 0.000 0.212 559 G C -0.271 174.592 174.900 -0.061 0.000 1.411 559 G CA 0.512 45.562 45.100 -0.085 0.000 0.898 559 G HN 0.811 nan 8.290 nan 0.000 0.575 560 N N -0.059 118.603 118.700 -0.064 0.000 2.639 560 N HA 0.538 5.278 4.740 0.000 0.000 0.265 560 N C 0.685 176.211 175.510 0.027 0.000 1.689 560 N CA 0.871 53.916 53.050 -0.009 0.000 0.813 560 N CB 0.335 38.820 38.487 -0.004 0.000 1.353 560 N HN 1.883 nan 8.380 nan 0.000 0.510 561 G N 0.569 109.397 108.800 0.047 0.000 2.395 561 G HA2 -0.328 3.632 3.960 0.000 0.000 0.300 561 G HA3 -0.328 3.632 3.960 0.000 0.000 0.300 561 G C -0.645 174.386 174.900 0.217 0.000 0.998 561 G CA 0.241 45.490 45.100 0.249 0.000 1.046 561 G HN 0.583 nan 8.290 nan 0.000 0.513 562 Q N -1.114 118.656 119.800 -0.050 0.000 2.381 562 Q HA 0.416 4.756 4.340 0.000 0.000 0.263 562 Q C -0.800 175.118 176.000 -0.137 0.000 1.030 562 Q CA -0.706 55.091 55.803 -0.010 0.000 0.772 562 Q CB 1.004 29.715 28.738 -0.046 0.000 1.232 562 Q HN 0.440 nan 8.270 nan 0.000 0.476 563 W N 2.218 123.425 121.300 -0.155 0.000 2.253 563 W HA 0.300 4.960 4.660 0.000 0.000 0.348 563 W C 0.068 176.493 176.519 -0.157 0.000 0.920 563 W CA -0.244 57.008 57.345 -0.155 0.000 1.518 563 W CB 0.656 29.962 29.460 -0.256 0.000 1.446 563 W HN 0.370 nan 8.180 nan 0.000 0.361 564 S N 2.078 117.779 115.700 0.002 0.000 2.661 564 S HA 0.573 5.043 4.470 0.000 0.000 0.265 564 S C -0.790 173.814 174.600 0.007 0.000 1.225 564 S CA -0.638 57.549 58.200 -0.021 0.000 0.986 564 S CB 1.035 64.211 63.200 -0.040 0.000 1.008 564 S HN 0.355 nan 8.310 nan 0.000 0.565 565 L N 1.700 122.924 121.223 0.002 0.000 2.442 565 L HA 0.432 4.772 4.340 0.000 0.000 0.261 565 L C 0.101 177.071 176.870 0.167 0.000 1.000 565 L CA -0.245 54.622 54.840 0.045 0.000 0.882 565 L CB 0.710 42.734 42.059 -0.059 0.000 1.207 565 L HN 0.511 nan 8.230 nan 0.000 0.443 566 V N 3.450 123.459 119.914 0.158 0.000 2.251 566 V HA 0.383 4.503 4.120 0.000 0.000 0.237 566 V C 1.318 177.464 176.094 0.086 0.000 1.040 566 V CA 0.941 63.308 62.300 0.113 0.000 1.005 566 V CB -1.340 30.499 31.823 0.027 0.000 0.645 566 V HN 1.069 nan 8.190 nan 0.000 0.458 567 G N -0.406 108.344 108.800 -0.084 0.000 2.915 567 G HA2 0.327 4.287 3.960 0.000 0.000 0.686 567 G HA3 0.327 4.287 3.960 0.000 0.000 0.686 567 G C -0.436 174.271 174.900 -0.323 0.000 1.414 567 G CA 0.004 44.791 45.100 -0.522 0.000 1.053 567 G HN 1.482 nan 8.290 nan 0.000 0.598 568 A N 1.375 124.064 122.820 -0.218 0.000 2.594 568 A HA 0.909 5.229 4.320 0.000 0.000 0.307 568 A C 0.170 177.711 177.584 -0.073 0.000 1.203 568 A CA 0.222 52.238 52.037 -0.034 0.000 0.644 568 A CB 0.563 19.533 19.000 -0.050 0.000 1.349 568 A HN 1.512 nan 8.150 nan 0.000 0.510 569 K N 0.503 120.789 120.400 -0.190 0.000 2.550 569 K HA 0.363 4.683 4.320 0.000 0.000 0.280 569 K C 0.241 176.672 176.600 -0.281 0.000 0.987 569 K CA 0.992 57.022 56.287 -0.428 0.000 1.048 569 K CB 0.304 32.618 32.500 -0.310 0.000 0.879 569 K HN 0.992 nan 8.250 nan 0.000 0.491 570 A N 6.285 128.923 122.820 -0.303 0.000 2.409 570 A HA 0.308 4.628 4.320 0.000 0.000 0.262 570 A C -2.090 175.416 177.584 -0.130 0.000 1.113 570 A CA -1.436 50.500 52.037 -0.167 0.000 0.790 570 A CB -0.224 18.700 19.000 -0.127 0.000 1.046 570 A HN 0.619 nan 8.150 nan 0.000 0.496 571 P HA 0.031 nan 4.420 nan 0.000 0.257 571 P C -1.823 175.438 177.300 -0.064 0.000 1.144 571 P CA 0.008 63.068 63.100 -0.067 0.000 0.761 571 P CB -0.408 31.264 31.700 -0.048 0.000 0.734 572 P HA 0.000 nan 4.420 nan 0.000 0.216 572 P CA 0.000 63.067 63.100 -0.054 0.000 0.800 572 P CB 0.000 31.671 31.700 -0.048 0.000 0.726