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 2hu7_1_B DATA FIRST_RESID 9 DATA SEQUENCE FSRIVRDVER LIAVEKYSLQ GVVDGDKLLV VGFSEGSVNA YLYDGGETVK DATA SEQUENCE LNREPINSVL DPHYGVGRVI LVRDVSKGAE QHALFKVNTS RPGEEQRLEA DATA SEQUENCE VKPMRILSGV DTGEAVVFTG ATEDRVALYA LDGGGLRELA RLPGFGFVSD DATA SEQUENCE IRGDLIAGLG FFGGGRVSLF TSNLSSGGLR VFDSGEGSFS SASISPGMKV DATA SEQUENCE TAGLETAREA RLVTVDPRDG SVEDLELPSK DFSSYRPTAI TWLGYLPDGR DATA SEQUENCE LAVVARREGR SAVFIDGERV EAPQGNHGRV VLWRGKLVTS HTSLSTPPRI DATA SEQUENCE VSLPSGEPLL EGGLPEDLRR SIAGSRLVWV ESFDGSRVPT YVLESGRAPT DATA SEQUENCE PGPTVVLVHG GPFAEDSDSW DTFAASLAAA GFHVVMPNYR GSTGYGEEWR DATA SEQUENCE LKIIGDPCGG ELEDVSAAAR WARESGLASE LYIMGYSYGG YMTLCALTMK DATA SEQUENCE PGLFKAGVAG ASVVDWEEMY ELSDAAFRNF IEQLTGGSRE IMRSRSPINH DATA SEQUENCE VDRIKEPLAL IHPQNDSRTP LKPLLRLMGE LLARGKTFEA HIIPDAGHAI DATA SEQUENCE NTMEDAVKIL LPAVFFLATQ RER 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 9 F HA 0.000 nan 4.527 nan 0.000 0.279 9 F C 0.000 175.814 175.800 0.023 0.000 0.967 9 F CA 0.000 57.911 58.000 -0.149 0.000 1.383 9 F CB 0.000 38.777 39.000 -0.372 0.000 1.145 10 S N 1.562 117.277 115.700 0.025 0.000 2.428 10 S HA 0.053 4.523 4.470 -0.000 0.000 0.230 10 S C 1.975 176.621 174.600 0.077 0.000 1.014 10 S CA 1.527 59.771 58.200 0.073 0.000 0.957 10 S CB -0.831 62.392 63.200 0.037 0.000 0.784 10 S HN 1.269 nan 8.310 nan 0.000 0.499 11 R N 1.399 121.932 120.500 0.055 0.000 2.115 11 R HA 0.335 4.674 4.340 -0.000 0.000 0.230 11 R C 2.176 178.523 176.300 0.079 0.000 1.111 11 R CA 1.401 57.532 56.100 0.052 0.000 0.976 11 R CB -1.504 28.814 30.300 0.031 0.000 0.870 11 R HN 0.706 nan 8.270 nan 0.000 0.445 12 I N 0.345 120.992 120.570 0.128 0.000 2.315 12 I HA -0.207 3.962 4.170 -0.000 0.000 0.248 12 I C 2.241 178.446 176.117 0.148 0.000 1.117 12 I CA 1.119 62.526 61.300 0.179 0.000 1.404 12 I CB -0.120 38.076 38.000 0.326 0.000 1.071 12 I HN 0.143 nan 8.210 nan 0.000 0.419 13 V N 0.660 120.679 119.914 0.175 0.000 2.261 13 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 13 V C 2.556 178.670 176.094 0.034 0.000 1.047 13 V CA 1.813 64.160 62.300 0.078 0.000 1.015 13 V CB -0.750 31.137 31.823 0.107 0.000 0.642 13 V HN 0.345 nan 8.190 nan 0.000 0.446 14 R N -0.169 120.360 120.500 0.047 0.000 2.091 14 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 14 R C 2.118 178.432 176.300 0.023 0.000 1.136 14 R CA 1.915 58.033 56.100 0.029 0.000 0.959 14 R CB -0.382 29.937 30.300 0.031 0.000 0.856 14 R HN 0.544 nan 8.270 nan 0.000 0.437 15 D N -0.395 120.025 120.400 0.033 0.000 2.097 15 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 15 D C 1.923 178.228 176.300 0.010 0.000 0.984 15 D CA 0.986 55.005 54.000 0.031 0.000 0.826 15 D CB -0.179 40.648 40.800 0.045 0.000 0.973 15 D HN -0.004 nan 8.370 nan 0.000 0.460 16 V N 1.191 121.098 119.914 -0.013 0.000 2.307 16 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 16 V C 2.294 178.345 176.094 -0.072 0.000 1.045 16 V CA 1.568 63.828 62.300 -0.067 0.000 1.024 16 V CB -0.399 31.357 31.823 -0.113 0.000 0.651 16 V HN 0.195 nan 8.190 nan 0.000 0.449 17 E N -0.082 120.088 120.200 -0.049 0.000 2.058 17 E HA -0.252 4.097 4.350 -0.000 0.000 0.194 17 E C 2.470 179.061 176.600 -0.015 0.000 0.997 17 E CA 1.447 57.826 56.400 -0.034 0.000 0.801 17 E CB -0.198 29.491 29.700 -0.017 0.000 0.746 17 E HN 0.516 nan 8.360 nan 0.000 0.450 18 R N 0.275 120.774 120.500 -0.003 0.000 2.115 18 R HA -0.033 4.306 4.340 -0.000 0.000 0.226 18 R C 2.465 178.771 176.300 0.010 0.000 1.100 18 R CA 0.602 56.705 56.100 0.006 0.000 0.980 18 R CB -0.144 30.164 30.300 0.012 0.000 0.875 18 R HN 0.177 nan 8.270 nan 0.000 0.445 19 L N 0.262 121.496 121.223 0.020 0.000 2.093 19 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 19 L C 2.235 179.114 176.870 0.017 0.000 1.085 19 L CA 1.206 56.088 54.840 0.070 0.000 0.755 19 L CB -0.219 41.887 42.059 0.078 0.000 0.904 19 L HN 0.183 nan 8.230 nan 0.000 0.435 20 I N -0.453 120.075 120.570 -0.070 0.000 2.353 20 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 20 I C 2.673 178.729 176.117 -0.102 0.000 1.119 20 I CA 1.017 62.214 61.300 -0.172 0.000 1.417 20 I CB -0.286 37.604 38.000 -0.182 0.000 1.078 20 I HN 0.164 nan 8.210 nan 0.000 0.421 21 A N 0.136 122.969 122.820 0.021 0.000 1.968 21 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 21 A C 1.438 179.072 177.584 0.083 0.000 1.169 21 A CA 0.328 52.438 52.037 0.122 0.000 0.638 21 A CB -0.586 18.449 19.000 0.059 0.000 0.812 21 A HN 0.169 nan 8.150 nan 0.000 0.446 22 V N 1.707 121.613 119.914 -0.014 0.000 2.694 22 V HA -0.005 4.115 4.120 -0.000 0.000 0.306 22 V C 0.095 176.125 176.094 -0.107 0.000 1.054 22 V CA -0.146 62.105 62.300 -0.083 0.000 1.161 22 V CB 0.071 31.795 31.823 -0.165 0.000 0.916 22 V HN 0.649 nan 8.190 nan 0.000 0.490 23 E N 5.842 125.958 120.200 -0.140 0.000 2.376 23 E HA 0.272 4.622 4.350 -0.000 0.000 0.266 23 E C -0.659 175.665 176.600 -0.461 0.000 1.009 23 E CA 0.145 56.378 56.400 -0.277 0.000 0.902 23 E CB 0.618 30.153 29.700 -0.276 0.000 0.972 23 E HN 0.585 nan 8.360 nan 0.000 0.439 24 K N 2.681 122.736 120.400 -0.575 0.000 2.443 24 K HA 0.406 4.726 4.320 -0.000 0.000 0.252 24 K C -1.396 174.884 176.600 -0.534 0.000 0.933 24 K CA -0.610 55.409 56.287 -0.448 0.000 0.792 24 K CB 1.469 33.825 32.500 -0.241 0.000 1.185 24 K HN 0.397 nan 8.250 nan 0.000 0.425 25 Y N 0.267 120.519 120.300 -0.080 0.000 2.462 25 Y HA 0.393 4.943 4.550 -0.000 0.000 0.346 25 Y C -0.034 175.817 175.900 -0.081 0.000 0.976 25 Y CA -0.844 57.206 58.100 -0.083 0.000 1.044 25 Y CB 2.541 40.913 38.460 -0.147 0.000 1.230 25 Y HN 0.611 nan 8.280 nan 0.000 0.455 26 S N 2.846 118.607 115.700 0.102 0.000 2.547 26 S HA 0.599 5.069 4.470 -0.000 0.000 0.281 26 S C -1.733 172.856 174.600 -0.019 0.000 1.118 26 S CA -0.812 57.398 58.200 0.016 0.000 0.947 26 S CB 1.615 64.818 63.200 0.005 0.000 1.053 26 S HN 0.585 nan 8.310 nan 0.000 0.482 27 L N 3.121 124.294 121.223 -0.083 0.000 2.290 27 L HA 0.527 4.866 4.340 -0.000 0.000 0.284 27 L C 0.810 177.596 176.870 -0.139 0.000 1.078 27 L CA 0.362 55.120 54.840 -0.135 0.000 0.815 27 L CB 0.823 42.770 42.059 -0.186 0.000 1.162 27 L HN 0.855 nan 8.230 nan 0.000 0.435 28 Q N 3.816 123.545 119.800 -0.118 0.000 2.423 28 Q HA 0.483 4.823 4.340 -0.000 0.000 0.231 28 Q C 0.615 176.538 176.000 -0.128 0.000 0.894 28 Q CA 0.729 56.474 55.803 -0.096 0.000 0.938 28 Q CB 1.122 29.831 28.738 -0.048 0.000 1.079 28 Q HN 0.912 nan 8.270 nan 0.000 0.552 29 G N -0.557 108.141 108.800 -0.170 0.000 2.399 29 G HA2 0.339 4.299 3.960 -0.000 0.000 0.256 29 G HA3 0.339 4.299 3.960 -0.000 0.000 0.256 29 G C -1.771 172.966 174.900 -0.271 0.000 1.236 29 G CA -0.384 44.563 45.100 -0.255 0.000 0.914 29 G HN -0.089 nan 8.290 nan 0.000 0.482 30 V N -0.357 119.327 119.914 -0.382 0.000 2.656 30 V HA 0.857 4.977 4.120 -0.000 0.000 0.307 30 V C -0.418 175.600 176.094 -0.126 0.000 1.051 30 V CA -0.517 61.661 62.300 -0.204 0.000 0.893 30 V CB 1.563 33.335 31.823 -0.086 0.000 0.999 30 V HN 0.894 nan 8.190 nan 0.000 0.426 31 V N 2.166 122.077 119.914 -0.004 0.000 3.216 31 V HA 0.540 4.660 4.120 -0.000 0.000 0.302 31 V C -0.264 175.870 176.094 0.066 0.000 1.286 31 V CA -0.401 61.913 62.300 0.025 0.000 1.048 31 V CB 2.132 33.958 31.823 0.005 0.000 1.081 31 V HN 0.966 nan 8.190 nan 0.000 0.442 32 D N 1.086 121.526 120.400 0.066 0.000 2.800 32 D HA -0.082 4.558 4.640 -0.000 0.000 0.232 32 D C 0.923 177.270 176.300 0.079 0.000 1.137 32 D CA 2.221 56.261 54.000 0.066 0.000 0.718 32 D CB -1.067 39.769 40.800 0.059 0.000 1.084 32 D HN 1.736 nan 8.370 nan 0.000 0.432 33 G N 0.248 109.101 108.800 0.089 0.000 5.045 33 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.229 33 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.229 33 G C 0.259 175.235 174.900 0.127 0.000 1.440 33 G CA 0.466 45.623 45.100 0.094 0.000 0.936 33 G HN 0.710 nan 8.290 nan 0.000 0.690 34 D N 1.019 121.506 120.400 0.146 0.000 3.220 34 D HA 0.392 5.032 4.640 -0.000 0.000 0.309 34 D C -0.413 176.112 176.300 0.375 0.000 1.276 34 D CA -0.183 53.950 54.000 0.221 0.000 0.736 34 D CB -0.124 40.731 40.800 0.092 0.000 1.304 34 D HN 0.456 nan 8.370 nan 0.000 0.582 35 K N 0.799 121.394 120.400 0.327 0.000 2.422 35 K HA 0.445 4.765 4.320 -0.000 0.000 0.251 35 K C -0.372 176.259 176.600 0.052 0.000 0.933 35 K CA -0.952 55.498 56.287 0.272 0.000 0.798 35 K CB 2.602 35.185 32.500 0.138 0.000 1.238 35 K HN 0.086 nan 8.250 nan 0.000 0.428 36 L N 2.774 123.890 121.223 -0.177 0.000 2.367 36 L HA 0.179 4.519 4.340 -0.000 0.000 0.275 36 L C 0.004 176.809 176.870 -0.108 0.000 1.129 36 L CA -0.694 53.978 54.840 -0.280 0.000 0.839 36 L CB 0.134 41.905 42.059 -0.480 0.000 1.133 36 L HN 0.315 nan 8.230 nan 0.000 0.453 37 L N 5.385 126.545 121.223 -0.104 0.000 2.265 37 L HA 0.486 4.826 4.340 -0.000 0.000 0.288 37 L C -0.530 176.308 176.870 -0.053 0.000 1.058 37 L CA 0.137 54.948 54.840 -0.050 0.000 0.809 37 L CB 1.336 43.366 42.059 -0.049 0.000 1.179 37 L HN 0.266 nan 8.230 nan 0.000 0.429 38 V N 5.945 125.868 119.914 0.015 0.000 2.577 38 V HA 0.394 4.513 4.120 -0.000 0.000 0.303 38 V C -0.536 175.651 176.094 0.153 0.000 1.042 38 V CA -0.749 61.577 62.300 0.043 0.000 0.872 38 V CB 2.197 34.020 31.823 -0.001 0.000 0.998 38 V HN 0.472 nan 8.190 nan 0.000 0.423 39 V N 4.228 124.214 119.914 0.120 0.000 2.406 39 V HA 0.695 4.815 4.120 -0.000 0.000 0.272 39 V C 0.792 177.013 176.094 0.210 0.000 1.043 39 V CA 0.068 62.454 62.300 0.143 0.000 0.915 39 V CB 1.324 33.189 31.823 0.069 0.000 0.988 39 V HN 0.966 nan 8.190 nan 0.000 0.466 40 G N 3.470 112.454 108.800 0.306 0.000 2.530 40 G HA2 0.541 4.501 3.960 -0.000 0.000 0.316 40 G HA3 0.541 4.501 3.960 -0.000 0.000 0.316 40 G C -1.136 173.817 174.900 0.089 0.000 1.298 40 G CA -0.585 44.611 45.100 0.160 0.000 0.948 40 G HN 0.529 nan 8.290 nan 0.000 0.486 41 F N 3.489 123.330 119.950 -0.182 0.000 2.468 41 F HA 0.552 5.079 4.527 -0.000 0.000 0.356 41 F C 0.558 176.227 175.800 -0.219 0.000 1.167 41 F CA 0.003 57.912 58.000 -0.151 0.000 1.135 41 F CB 0.700 39.606 39.000 -0.158 0.000 1.197 41 F HN 0.415 nan 8.300 nan 0.000 0.569 42 S N 3.931 119.392 115.700 -0.398 0.000 2.556 42 S HA 0.360 4.830 4.470 -0.000 0.000 0.271 42 S C -0.587 173.844 174.600 -0.280 0.000 1.135 42 S CA -0.585 57.456 58.200 -0.265 0.000 0.858 42 S CB 1.171 64.271 63.200 -0.166 0.000 1.114 42 S HN 0.669 nan 8.310 nan 0.000 0.468 43 E N 1.605 121.692 120.200 -0.188 0.000 2.269 43 E HA -0.203 4.147 4.350 -0.000 0.000 0.223 43 E C 0.815 177.266 176.600 -0.248 0.000 1.244 43 E CA 0.976 57.286 56.400 -0.151 0.000 0.713 43 E CB -1.786 27.868 29.700 -0.077 0.000 1.178 43 E HN 1.616 nan 8.360 nan 0.000 0.370 44 G N -0.667 107.904 108.800 -0.381 0.000 2.155 44 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.257 44 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.257 44 G C 0.181 174.721 174.900 -0.600 0.000 0.983 44 G CA 0.798 45.672 45.100 -0.376 0.000 0.676 44 G HN 1.230 nan 8.290 nan 0.000 0.528 45 S N -2.580 112.562 115.700 -0.929 0.000 2.643 45 S HA 0.678 5.148 4.470 -0.000 0.000 0.270 45 S C -0.669 173.570 174.600 -0.601 0.000 1.166 45 S CA -0.342 57.460 58.200 -0.664 0.000 0.815 45 S CB 2.150 65.199 63.200 -0.251 0.000 1.139 45 S HN 1.154 nan 8.310 nan 0.000 0.472 46 V N 3.000 122.811 119.914 -0.173 0.000 2.427 46 V HA 0.418 4.538 4.120 -0.000 0.000 0.268 46 V C -0.181 175.863 176.094 -0.083 0.000 1.046 46 V CA -0.246 62.041 62.300 -0.021 0.000 0.970 46 V CB -0.345 31.539 31.823 0.102 0.000 1.001 46 V HN 0.774 nan 8.190 nan 0.000 0.476 47 N N 2.707 121.355 118.700 -0.088 0.000 2.469 47 N HA 0.799 5.539 4.740 -0.000 0.000 0.286 47 N C -0.610 174.738 175.510 -0.270 0.000 1.275 47 N CA -0.539 52.363 53.050 -0.246 0.000 0.790 47 N CB 2.500 40.731 38.487 -0.426 0.000 1.446 47 N HN 0.647 nan 8.380 nan 0.000 0.501 48 A N 0.544 123.109 122.820 -0.426 0.000 2.337 48 A HA 0.754 5.074 4.320 -0.000 0.000 0.329 48 A C -1.626 175.671 177.584 -0.479 0.000 1.146 48 A CA -0.391 51.485 52.037 -0.268 0.000 0.800 48 A CB 0.516 19.435 19.000 -0.135 0.000 1.220 48 A HN 0.603 nan 8.150 nan 0.000 0.472 49 Y N 0.396 120.701 120.300 0.009 0.000 2.545 49 Y HA 0.570 5.120 4.550 -0.001 0.000 0.348 49 Y C -0.148 175.757 175.900 0.008 0.000 1.002 49 Y CA -0.820 57.290 58.100 0.015 0.000 1.039 49 Y CB 1.765 40.248 38.460 0.039 0.000 1.271 49 Y HN 0.546 nan 8.280 nan 0.000 0.467 50 L N 2.209 123.537 121.223 0.175 0.000 2.334 50 L HA 0.354 4.694 4.340 -0.000 0.000 0.277 50 L C -1.231 175.726 176.870 0.145 0.000 1.075 50 L CA -0.844 54.063 54.840 0.112 0.000 0.804 50 L CB 0.989 43.092 42.059 0.073 0.000 1.174 50 L HN 0.618 nan 8.230 nan 0.000 0.438 51 Y N 0.858 121.120 120.300 -0.063 0.000 2.376 51 Y HA 0.296 4.846 4.550 -0.001 0.000 0.326 51 Y C 0.550 176.429 175.900 -0.034 0.000 0.970 51 Y CA -0.542 57.492 58.100 -0.110 0.000 1.248 51 Y CB 1.389 39.692 38.460 -0.262 0.000 1.117 51 Y HN 0.740 nan 8.280 nan 0.000 0.476 52 D N 2.489 122.686 120.400 -0.338 0.000 2.323 52 D HA 0.303 4.943 4.640 -0.000 0.000 0.209 52 D C 1.548 177.727 176.300 -0.201 0.000 0.973 52 D CA 1.049 54.962 54.000 -0.146 0.000 0.874 52 D CB -0.065 40.683 40.800 -0.087 0.000 0.930 52 D HN 1.213 nan 8.370 nan 0.000 0.521 53 G N -2.011 106.287 108.800 -0.836 0.000 2.797 53 G HA2 0.164 4.124 3.960 -0.000 0.000 0.195 53 G HA3 0.164 4.124 3.960 -0.000 0.000 0.195 53 G C 1.184 175.858 174.900 -0.377 0.000 1.026 53 G CA 0.525 45.322 45.100 -0.505 0.000 0.759 53 G HN 1.181 nan 8.290 nan 0.000 0.475 54 G N 0.007 108.626 108.800 -0.302 0.000 2.968 54 G HA2 0.500 4.460 3.960 -0.000 0.000 0.206 54 G HA3 0.500 4.460 3.960 -0.000 0.000 0.206 54 G C -0.067 174.787 174.900 -0.076 0.000 2.051 54 G CA 0.404 45.434 45.100 -0.117 0.000 0.773 54 G HN 0.356 nan 8.290 nan 0.000 0.741 55 E N 1.260 121.430 120.200 -0.050 0.000 2.354 55 E HA 0.332 4.682 4.350 -0.000 0.000 0.269 55 E C 0.020 176.625 176.600 0.009 0.000 1.036 55 E CA -0.175 56.222 56.400 -0.005 0.000 0.876 55 E CB 0.892 30.592 29.700 0.001 0.000 1.009 55 E HN 0.411 nan 8.360 nan 0.000 0.416 56 T N -0.689 113.896 114.554 0.052 0.000 2.913 56 T HA 0.310 4.660 4.350 -0.000 0.000 0.297 56 T C 0.039 174.821 174.700 0.138 0.000 1.029 56 T CA -0.877 61.281 62.100 0.097 0.000 1.104 56 T CB 1.035 69.908 68.868 0.009 0.000 0.964 56 T HN 0.078 nan 8.240 nan 0.000 0.532 57 V N 3.443 123.462 119.914 0.174 0.000 2.384 57 V HA 0.392 4.512 4.120 -0.000 0.000 0.287 57 V C 0.490 176.702 176.094 0.196 0.000 1.020 57 V CA -1.047 61.343 62.300 0.149 0.000 0.850 57 V CB 1.377 33.246 31.823 0.076 0.000 0.987 57 V HN 0.978 nan 8.190 nan 0.000 0.436 58 K N 3.738 124.229 120.400 0.151 0.000 2.379 58 K HA 0.309 4.628 4.320 -0.000 0.000 0.284 58 K C 0.432 176.954 176.600 -0.130 0.000 1.044 58 K CA -0.235 55.989 56.287 -0.106 0.000 0.974 58 K CB 0.762 33.206 32.500 -0.094 0.000 0.962 58 K HN 0.625 nan 8.250 nan 0.000 0.474 59 L N 3.162 124.264 121.223 -0.202 0.000 2.168 59 L HA -0.063 4.277 4.340 -0.000 0.000 0.203 59 L C 1.183 177.975 176.870 -0.130 0.000 1.078 59 L CA 0.263 55.030 54.840 -0.122 0.000 0.780 59 L CB -0.318 41.682 42.059 -0.098 0.000 0.939 59 L HN 0.732 nan 8.230 nan 0.000 0.451 60 N N -0.068 118.516 118.700 -0.193 0.000 2.434 60 N HA 0.136 4.876 4.740 -0.000 0.000 0.266 60 N C 0.342 175.754 175.510 -0.163 0.000 1.223 60 N CA -0.395 52.549 53.050 -0.177 0.000 0.972 60 N CB 1.240 39.603 38.487 -0.206 0.000 1.207 60 N HN 0.031 nan 8.380 nan 0.000 0.525 61 R N 0.136 120.541 120.500 -0.158 0.000 1.906 61 R HA 0.088 4.428 4.340 -0.000 0.000 0.186 61 R C 0.016 176.228 176.300 -0.146 0.000 1.615 61 R CA 0.157 56.177 56.100 -0.134 0.000 1.265 61 R CB -0.482 29.747 30.300 -0.118 0.000 0.976 61 R HN 0.656 nan 8.270 nan 0.000 0.487 62 E N 1.943 122.044 120.200 -0.165 0.000 2.392 62 E HA 0.128 4.478 4.350 -0.000 0.000 0.256 62 E C -2.413 174.091 176.600 -0.161 0.000 1.145 62 E CA -1.753 54.556 56.400 -0.151 0.000 0.929 62 E CB -0.232 29.375 29.700 -0.154 0.000 0.998 62 E HN 0.044 nan 8.360 nan 0.000 0.442 63 P HA -0.066 nan 4.420 nan 0.000 0.264 63 P C -0.600 176.637 177.300 -0.105 0.000 1.179 63 P CA 0.584 63.617 63.100 -0.111 0.000 0.763 63 P CB 0.227 31.883 31.700 -0.073 0.000 0.806 64 I N -0.612 119.906 120.570 -0.087 0.000 3.100 64 I HA 0.447 4.617 4.170 -0.000 0.000 0.312 64 I C 0.511 176.631 176.117 0.004 0.000 1.063 64 I CA -0.836 60.430 61.300 -0.057 0.000 1.031 64 I CB 1.963 39.917 38.000 -0.077 0.000 1.243 64 I HN 0.071 nan 8.210 nan 0.000 0.483 65 N N 0.121 118.838 118.700 0.028 0.000 2.436 65 N HA 0.111 4.851 4.740 -0.000 0.000 0.178 65 N C -0.205 175.319 175.510 0.024 0.000 1.026 65 N CA 0.748 53.828 53.050 0.051 0.000 0.880 65 N CB 0.394 38.933 38.487 0.087 0.000 1.061 65 N HN 0.866 nan 8.380 nan 0.000 0.434 66 S N -1.140 114.558 115.700 -0.004 0.000 2.724 66 S HA 0.614 5.083 4.470 -0.000 0.000 0.278 66 S C -1.353 173.244 174.600 -0.005 0.000 1.190 66 S CA -0.904 57.296 58.200 -0.000 0.000 0.860 66 S CB 0.962 64.162 63.200 0.000 0.000 1.206 66 S HN 0.037 nan 8.310 nan 0.000 0.507 67 V N -1.145 118.772 119.914 0.006 0.000 3.040 67 V HA 0.735 4.855 4.120 -0.000 0.000 0.312 67 V C -0.666 175.445 176.094 0.028 0.000 1.115 67 V CA -1.239 61.067 62.300 0.010 0.000 0.998 67 V CB 1.168 32.994 31.823 0.005 0.000 1.042 67 V HN 0.994 nan 8.190 nan 0.000 0.433 68 L N 1.419 122.665 121.223 0.038 0.000 2.436 68 L HA 0.412 4.752 4.340 -0.000 0.000 0.265 68 L C -0.061 176.851 176.870 0.070 0.000 1.168 68 L CA -0.460 54.421 54.840 0.068 0.000 0.815 68 L CB 0.358 42.465 42.059 0.080 0.000 1.109 68 L HN 0.665 nan 8.230 nan 0.000 0.462 69 D N 3.139 123.596 120.400 0.095 0.000 2.434 69 D HA 0.109 4.749 4.640 -0.000 0.000 0.252 69 D C -2.171 174.182 176.300 0.089 0.000 1.185 69 D CA -0.744 53.309 54.000 0.088 0.000 0.886 69 D CB 0.355 41.234 40.800 0.131 0.000 1.148 69 D HN 0.226 nan 8.370 nan 0.000 0.483 70 P HA 0.127 nan 4.420 nan 0.000 0.290 70 P C -0.394 176.958 177.300 0.086 0.000 1.276 70 P CA -0.500 62.638 63.100 0.063 0.000 0.808 70 P CB 0.788 32.494 31.700 0.010 0.000 0.966 71 H N 2.563 121.673 119.070 0.065 0.000 2.871 71 H HA 0.032 4.588 4.556 -0.000 0.000 0.355 71 H C -0.370 175.025 175.328 0.112 0.000 1.092 71 H CA 0.526 56.645 56.048 0.119 0.000 1.420 71 H CB -0.176 29.661 29.762 0.124 0.000 1.400 71 H HN 0.276 nan 8.280 nan 0.000 0.604 72 Y N 3.065 123.135 120.300 -0.383 0.000 2.805 72 Y HA 0.021 4.571 4.550 0.000 0.000 0.331 72 Y C 1.821 177.664 175.900 -0.094 0.000 1.241 72 Y CA 1.778 59.759 58.100 -0.199 0.000 1.546 72 Y CB 0.230 38.560 38.460 -0.217 0.000 1.248 72 Y HN 0.993 nan 8.280 nan 0.000 0.559 73 G N 1.927 110.791 108.800 0.106 0.000 2.179 73 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 73 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 73 G C 0.173 175.142 174.900 0.115 0.000 0.977 73 G CA 0.034 45.208 45.100 0.124 0.000 0.641 73 G HN 0.768 nan 8.290 nan 0.000 0.533 74 V N 1.245 121.236 119.914 0.128 0.000 2.814 74 V HA 0.431 4.550 4.120 -0.000 0.000 0.307 74 V C 1.610 177.755 176.094 0.085 0.000 1.089 74 V CA 1.577 63.952 62.300 0.126 0.000 1.212 74 V CB 1.216 33.124 31.823 0.143 0.000 0.912 74 V HN 1.073 nan 8.190 nan 0.000 0.497 75 G N 6.954 115.799 108.800 0.075 0.000 3.379 75 G HA2 0.313 4.273 3.960 -0.000 0.000 0.253 75 G HA3 0.313 4.273 3.960 -0.000 0.000 0.253 75 G C 0.321 175.250 174.900 0.048 0.000 1.262 75 G CA 0.000 45.135 45.100 0.058 0.000 0.959 75 G HN 0.953 nan 8.290 nan 0.000 0.524 76 R N -2.318 118.212 120.500 0.050 0.000 2.733 76 R HA 0.682 5.021 4.340 -0.000 0.000 0.272 76 R C -2.232 174.091 176.300 0.039 0.000 1.029 76 R CA -0.721 55.404 56.100 0.041 0.000 0.888 76 R CB 1.250 31.576 30.300 0.043 0.000 1.251 76 R HN -0.114 nan 8.270 nan 0.000 0.464 77 V N 1.763 121.696 119.914 0.032 0.000 2.789 77 V HA 0.484 4.603 4.120 -0.000 0.000 0.311 77 V C -0.608 175.506 176.094 0.032 0.000 1.073 77 V CA -0.995 61.321 62.300 0.027 0.000 0.921 77 V CB 2.149 33.978 31.823 0.011 0.000 1.009 77 V HN 0.561 nan 8.190 nan 0.000 0.426 78 I N 5.206 125.796 120.570 0.033 0.000 2.328 78 I HA 0.412 4.582 4.170 -0.000 0.000 0.287 78 I C -0.116 176.022 176.117 0.034 0.000 1.012 78 I CA -0.307 61.013 61.300 0.034 0.000 1.195 78 I CB 1.125 39.137 38.000 0.019 0.000 1.350 78 I HN 0.410 nan 8.210 nan 0.000 0.464 79 L N 6.239 127.501 121.223 0.065 0.000 2.371 79 L HA 0.480 4.820 4.340 -0.000 0.000 0.272 79 L C 0.032 176.961 176.870 0.099 0.000 1.124 79 L CA -0.777 54.099 54.840 0.059 0.000 0.816 79 L CB 0.973 43.054 42.059 0.037 0.000 1.129 79 L HN 0.195 nan 8.230 nan 0.000 0.448 80 V N 3.141 123.081 119.914 0.043 0.000 2.370 80 V HA 0.517 4.637 4.120 -0.000 0.000 0.283 80 V C -0.041 176.102 176.094 0.081 0.000 1.023 80 V CA -0.554 61.764 62.300 0.030 0.000 0.857 80 V CB 1.310 33.063 31.823 -0.116 0.000 0.985 80 V HN 0.739 nan 8.190 nan 0.000 0.443 81 R N 2.757 123.391 120.500 0.223 0.000 2.538 81 R HA 0.313 4.653 4.340 -0.000 0.000 0.292 81 R C -1.090 175.399 176.300 0.316 0.000 1.008 81 R CA -0.696 55.527 56.100 0.204 0.000 0.896 81 R CB 1.642 31.940 30.300 -0.003 0.000 1.187 81 R HN 0.745 nan 8.270 nan 0.000 0.440 82 D N 3.832 124.411 120.400 0.298 0.000 2.412 82 D HA -0.009 4.631 4.640 -0.000 0.000 0.257 82 D C 0.819 177.173 176.300 0.090 0.000 1.217 82 D CA 0.243 54.324 54.000 0.135 0.000 0.897 82 D CB 1.301 42.148 40.800 0.078 0.000 1.132 82 D HN 0.394 nan 8.370 nan 0.000 0.493 83 V N 1.700 121.661 119.914 0.078 0.000 3.177 83 V HA 0.211 4.331 4.120 -0.000 0.000 0.342 83 V C 0.729 176.842 176.094 0.031 0.000 1.379 83 V CA 0.374 62.721 62.300 0.077 0.000 1.191 83 V CB -0.335 31.562 31.823 0.124 0.000 1.167 83 V HN 0.471 nan 8.190 nan 0.000 0.471 84 S N -0.793 114.910 115.700 0.005 0.000 2.835 84 S HA 0.365 4.835 4.470 -0.000 0.000 0.248 84 S C 0.358 174.957 174.600 -0.003 0.000 1.070 84 S CA -0.392 57.805 58.200 -0.006 0.000 1.090 84 S CB -0.321 62.864 63.200 -0.026 0.000 0.978 84 S HN 0.573 nan 8.310 nan 0.000 0.510 85 K N 0.751 121.155 120.400 0.007 0.000 3.035 85 K HA -0.206 4.114 4.320 -0.000 0.000 0.262 85 K C 0.977 177.585 176.600 0.015 0.000 1.024 85 K CA 0.594 56.888 56.287 0.011 0.000 0.748 85 K CB -2.031 30.475 32.500 0.011 0.000 1.247 85 K HN 1.285 nan 8.250 nan 0.000 0.482 86 G N -1.635 107.173 108.800 0.013 0.000 2.195 86 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.224 86 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.224 86 G C 0.718 175.625 174.900 0.013 0.000 0.990 86 G CA 0.301 45.416 45.100 0.025 0.000 0.639 86 G HN 0.707 nan 8.290 nan 0.000 0.514 87 A N 0.457 123.268 122.820 -0.014 0.000 2.235 87 A HA 0.500 4.820 4.320 -0.000 0.000 0.208 87 A C 1.221 178.763 177.584 -0.070 0.000 1.172 87 A CA 1.692 53.712 52.037 -0.029 0.000 0.786 87 A CB -0.467 18.516 19.000 -0.027 0.000 0.804 87 A HN 1.313 nan 8.150 nan 0.000 0.479 88 E N -0.518 119.601 120.200 -0.135 0.000 2.416 88 E HA -0.154 4.195 4.350 -0.000 0.000 0.249 88 E C -0.948 175.366 176.600 -0.476 0.000 1.124 88 E CA 0.341 56.519 56.400 -0.370 0.000 0.732 88 E CB -1.267 28.364 29.700 -0.115 0.000 1.286 88 E HN 0.614 nan 8.360 nan 0.000 0.394 89 Q N 0.830 120.446 119.800 -0.308 0.000 2.456 89 Q HA 0.223 4.563 4.340 -0.000 0.000 0.234 89 Q C -0.353 175.533 176.000 -0.190 0.000 1.061 89 Q CA 0.206 55.895 55.803 -0.191 0.000 0.896 89 Q CB 0.287 28.979 28.738 -0.077 0.000 1.233 89 Q HN 0.352 nan 8.270 nan 0.000 0.506 90 H N 0.088 119.190 119.070 0.052 0.000 2.505 90 H HA 0.629 5.184 4.556 -0.001 0.000 0.351 90 H C -0.172 175.162 175.328 0.011 0.000 1.151 90 H CA -0.402 55.679 56.048 0.055 0.000 1.339 90 H CB 1.152 30.947 29.762 0.056 0.000 1.483 90 H HN 0.637 nan 8.280 nan 0.000 0.558 91 A N 2.306 125.236 122.820 0.184 0.000 2.354 91 A HA 0.624 4.944 4.320 -0.000 0.000 0.321 91 A C -0.956 176.605 177.584 -0.037 0.000 1.125 91 A CA -0.833 51.187 52.037 -0.028 0.000 0.799 91 A CB 0.951 19.863 19.000 -0.147 0.000 1.293 91 A HN 0.593 nan 8.150 nan 0.000 0.452 92 L N 0.454 121.501 121.223 -0.294 0.000 2.322 92 L HA 0.643 4.983 4.340 -0.000 0.000 0.279 92 L C -1.378 175.248 176.870 -0.408 0.000 1.036 92 L CA -0.242 54.470 54.840 -0.213 0.000 0.807 92 L CB 1.203 43.088 42.059 -0.290 0.000 1.226 92 L HN 0.622 nan 8.230 nan 0.000 0.433 93 F N 1.325 121.236 119.950 -0.066 0.000 2.539 93 F HA 0.417 4.945 4.527 0.001 0.000 0.318 93 F C 0.027 175.803 175.800 -0.040 0.000 1.135 93 F CA -0.805 57.167 58.000 -0.046 0.000 0.915 93 F CB 1.892 40.869 39.000 -0.038 0.000 1.176 93 F HN 0.306 nan 8.300 nan 0.000 0.440 94 K N 2.686 123.148 120.400 0.104 0.000 2.172 94 K HA 0.758 5.078 4.320 -0.000 0.000 0.276 94 K C -1.603 175.040 176.600 0.071 0.000 1.013 94 K CA -0.401 55.923 56.287 0.063 0.000 0.913 94 K CB 1.296 33.813 32.500 0.028 0.000 1.055 94 K HN 0.537 nan 8.250 nan 0.000 0.461 95 V N 4.391 124.335 119.914 0.049 0.000 2.483 95 V HA 0.142 4.262 4.120 -0.000 0.000 0.297 95 V C -0.500 175.611 176.094 0.027 0.000 1.027 95 V CA -1.153 61.167 62.300 0.033 0.000 0.855 95 V CB 1.408 33.239 31.823 0.013 0.000 0.995 95 V HN 0.864 nan 8.190 nan 0.000 0.424 96 N N 3.110 121.825 118.700 0.026 0.000 2.475 96 N HA 0.023 4.763 4.740 -0.000 0.000 0.267 96 N C 1.450 176.973 175.510 0.022 0.000 1.169 96 N CA 0.729 53.794 53.050 0.026 0.000 0.947 96 N CB 1.755 40.257 38.487 0.024 0.000 1.061 96 N HN 0.833 nan 8.380 nan 0.000 0.466 97 T N 0.122 114.691 114.554 0.025 0.000 2.881 97 T HA -0.099 4.251 4.350 -0.000 0.000 0.270 97 T C 1.492 176.206 174.700 0.023 0.000 1.068 97 T CA 1.236 63.350 62.100 0.024 0.000 1.131 97 T CB -0.234 68.654 68.868 0.032 0.000 0.871 97 T HN 0.381 nan 8.240 nan 0.000 0.479 98 S N 1.238 116.952 115.700 0.024 0.000 2.515 98 S HA 0.147 4.617 4.470 -0.000 0.000 0.231 98 S C 1.062 175.671 174.600 0.016 0.000 0.987 98 S CA 0.194 58.406 58.200 0.021 0.000 0.936 98 S CB -0.084 63.129 63.200 0.022 0.000 0.766 98 S HN 0.517 nan 8.310 nan 0.000 0.528 99 R N 1.369 121.877 120.500 0.015 0.000 2.681 99 R HA 0.269 4.609 4.340 -0.000 0.000 0.277 99 R C -3.149 173.155 176.300 0.006 0.000 1.563 99 R CA -1.590 54.516 56.100 0.011 0.000 1.673 99 R CB 0.968 31.275 30.300 0.012 0.000 1.258 99 R HN 0.159 nan 8.270 nan 0.000 0.650 100 P HA 0.077 nan 4.420 nan 0.000 0.271 100 P C 0.778 178.068 177.300 -0.016 0.000 1.216 100 P CA 0.550 63.645 63.100 -0.008 0.000 0.776 100 P CB 0.961 32.659 31.700 -0.003 0.000 0.881 101 G N 0.839 109.620 108.800 -0.032 0.000 2.159 101 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.256 101 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.256 101 G C -0.100 174.785 174.900 -0.026 0.000 0.977 101 G CA -0.256 44.821 45.100 -0.039 0.000 0.652 101 G HN 0.577 nan 8.290 nan 0.000 0.531 102 E N 0.558 120.752 120.200 -0.010 0.000 2.129 102 E HA 0.467 4.817 4.350 -0.000 0.000 0.268 102 E C -0.400 176.213 176.600 0.022 0.000 0.900 102 E CA -0.378 56.025 56.400 0.005 0.000 0.755 102 E CB 1.041 30.747 29.700 0.010 0.000 1.117 102 E HN 0.481 nan 8.360 nan 0.000 0.410 103 E N 2.453 122.677 120.200 0.041 0.000 2.183 103 E HA 0.215 4.565 4.350 -0.000 0.000 0.271 103 E C -0.895 175.785 176.600 0.134 0.000 0.919 103 E CA -0.575 55.885 56.400 0.101 0.000 0.781 103 E CB 1.945 31.706 29.700 0.102 0.000 1.140 103 E HN 0.261 nan 8.360 nan 0.000 0.402 104 Q N 2.880 122.761 119.800 0.135 0.000 2.363 104 Q HA 0.231 4.571 4.340 -0.000 0.000 0.265 104 Q C -0.941 175.072 176.000 0.022 0.000 1.032 104 Q CA -0.677 55.170 55.803 0.074 0.000 0.746 104 Q CB 1.123 29.880 28.738 0.032 0.000 1.237 104 Q HN 0.353 nan 8.270 nan 0.000 0.475 105 R N 3.710 124.176 120.500 -0.057 0.000 2.522 105 R HA 0.107 4.447 4.340 -0.000 0.000 0.284 105 R C -0.703 175.419 176.300 -0.298 0.000 1.032 105 R CA 0.036 55.866 56.100 -0.450 0.000 1.049 105 R CB 0.378 30.404 30.300 -0.455 0.000 0.956 105 R HN 0.619 nan 8.270 nan 0.000 0.422 106 L N 5.752 126.766 121.223 -0.349 0.000 2.356 106 L HA 0.099 4.439 4.340 -0.000 0.000 0.282 106 L C 0.942 177.694 176.870 -0.198 0.000 1.132 106 L CA -0.185 54.529 54.840 -0.209 0.000 0.923 106 L CB 0.883 42.832 42.059 -0.184 0.000 1.278 106 L HN 0.722 nan 8.230 nan 0.000 0.436 107 E N 2.060 122.175 120.200 -0.142 0.000 2.347 107 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 107 E C 1.951 178.505 176.600 -0.078 0.000 1.008 107 E CA 0.807 57.139 56.400 -0.114 0.000 0.852 107 E CB 0.355 30.008 29.700 -0.077 0.000 0.783 107 E HN 0.767 nan 8.360 nan 0.000 0.505 108 A N 1.034 123.819 122.820 -0.059 0.000 2.067 108 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 108 A C 1.336 178.903 177.584 -0.028 0.000 1.158 108 A CA 0.483 52.504 52.037 -0.027 0.000 0.661 108 A CB 0.097 19.098 19.000 0.000 0.000 0.801 108 A HN 0.028 nan 8.150 nan 0.000 0.452 109 V N 2.690 122.564 119.914 -0.067 0.000 2.318 109 V HA 0.166 4.286 4.120 -0.000 0.000 0.271 109 V C 0.356 176.387 176.094 -0.105 0.000 1.030 109 V CA -1.040 61.209 62.300 -0.085 0.000 0.844 109 V CB 0.657 32.388 31.823 -0.154 0.000 1.015 109 V HN 0.589 nan 8.190 nan 0.000 0.460 110 K N 4.968 125.323 120.400 -0.075 0.000 2.414 110 K HA 0.275 4.595 4.320 -0.000 0.000 0.272 110 K C -2.612 173.951 176.600 -0.060 0.000 0.993 110 K CA -1.327 54.924 56.287 -0.059 0.000 0.964 110 K CB 0.005 32.484 32.500 -0.035 0.000 0.925 110 K HN 0.285 nan 8.250 nan 0.000 0.487 111 P HA -0.070 nan 4.420 nan 0.000 0.264 111 P C -0.602 176.693 177.300 -0.009 0.000 1.183 111 P CA 0.496 63.581 63.100 -0.025 0.000 0.763 111 P CB 0.402 32.091 31.700 -0.017 0.000 0.807 112 M N -0.061 119.551 119.600 0.019 0.000 2.773 112 M HA 0.451 4.931 4.480 -0.000 0.000 0.270 112 M C -0.906 175.466 176.300 0.119 0.000 1.238 112 M CA -1.225 54.106 55.300 0.052 0.000 0.832 112 M CB 2.215 34.852 32.600 0.062 0.000 1.672 112 M HN -0.082 nan 8.290 nan 0.000 0.480 113 R N 2.012 122.600 120.500 0.147 0.000 2.291 113 R HA 0.341 4.681 4.340 -0.000 0.000 0.333 113 R C -0.971 175.540 176.300 0.351 0.000 1.082 113 R CA -0.373 55.889 56.100 0.272 0.000 0.948 113 R CB 0.156 30.591 30.300 0.226 0.000 1.009 113 R HN 0.618 nan 8.270 nan 0.000 0.460 114 I N 7.395 128.256 120.570 0.485 0.000 2.436 114 I HA -0.057 4.113 4.170 -0.000 0.000 0.289 114 I C 1.286 177.539 176.117 0.227 0.000 1.083 114 I CA 0.219 61.671 61.300 0.253 0.000 1.372 114 I CB 0.995 39.020 38.000 0.042 0.000 1.408 114 I HN 0.770 nan 8.210 nan 0.000 0.516 115 L N 4.808 126.189 121.223 0.263 0.000 2.298 115 L HA 0.058 4.397 4.340 -0.000 0.000 0.209 115 L C 0.833 177.941 176.870 0.397 0.000 1.084 115 L CA 0.476 55.500 54.840 0.307 0.000 0.816 115 L CB -0.118 42.012 42.059 0.118 0.000 0.967 115 L HN 0.831 nan 8.230 nan 0.000 0.460 116 S N -1.521 114.381 115.700 0.337 0.000 2.645 116 S HA 0.715 5.185 4.470 -0.000 0.000 0.268 116 S C -0.763 174.031 174.600 0.323 0.000 1.110 116 S CA -0.150 58.263 58.200 0.356 0.000 0.823 116 S CB 1.559 65.054 63.200 0.492 0.000 1.091 116 S HN 0.176 nan 8.310 nan 0.000 0.466 117 G N -0.395 108.573 108.800 0.280 0.000 2.411 117 G HA2 0.544 4.504 3.960 -0.000 0.000 0.295 117 G HA3 0.544 4.504 3.960 -0.000 0.000 0.295 117 G C -2.068 172.962 174.900 0.216 0.000 1.542 117 G CA -0.073 45.197 45.100 0.284 0.000 0.814 117 G HN 1.393 nan 8.290 nan 0.000 0.557 118 V N 0.391 120.434 119.914 0.215 0.000 2.876 118 V HA 0.695 4.815 4.120 -0.000 0.000 0.312 118 V C -1.303 174.891 176.094 0.167 0.000 1.085 118 V CA -0.656 61.750 62.300 0.177 0.000 0.945 118 V CB 2.259 34.186 31.823 0.174 0.000 1.017 118 V HN 0.859 nan 8.190 nan 0.000 0.428 119 D N 1.384 121.870 120.400 0.143 0.000 2.425 119 D HA 0.344 4.984 4.640 -0.000 0.000 0.240 119 D C 1.004 177.384 176.300 0.132 0.000 1.080 119 D CA 0.139 54.215 54.000 0.127 0.000 0.836 119 D CB 2.135 42.997 40.800 0.104 0.000 1.125 119 D HN 0.679 nan 8.370 nan 0.000 0.525 120 T N 0.820 115.429 114.554 0.092 0.000 3.055 120 T HA 0.259 4.608 4.350 -0.000 0.000 0.265 120 T C 1.503 176.217 174.700 0.023 0.000 1.111 120 T CA 1.016 63.126 62.100 0.017 0.000 1.118 120 T CB 0.074 68.909 68.868 -0.055 0.000 0.909 120 T HN 0.662 nan 8.240 nan 0.000 0.501 121 G N 0.816 109.655 108.800 0.064 0.000 2.349 121 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.213 121 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.213 121 G C 0.861 175.787 174.900 0.044 0.000 1.044 121 G CA 0.392 45.531 45.100 0.065 0.000 0.633 121 G HN 0.496 nan 8.290 nan 0.000 0.506 122 E N 0.598 120.812 120.200 0.025 0.000 2.251 122 E HA 0.626 4.976 4.350 -0.000 0.000 0.194 122 E C 0.999 177.622 176.600 0.038 0.000 0.964 122 E CA 1.171 57.585 56.400 0.025 0.000 0.868 122 E CB 0.647 30.352 29.700 0.008 0.000 0.828 122 E HN 1.074 nan 8.360 nan 0.000 0.481 123 A N -0.033 122.816 122.820 0.048 0.000 2.449 123 A HA 0.603 4.923 4.320 -0.000 0.000 0.302 123 A C -1.223 176.425 177.584 0.106 0.000 1.048 123 A CA -0.666 51.415 52.037 0.073 0.000 0.708 123 A CB 1.700 20.738 19.000 0.064 0.000 1.274 123 A HN -0.047 nan 8.150 nan 0.000 0.410 124 V N 2.426 122.429 119.914 0.149 0.000 2.350 124 V HA 0.468 4.588 4.120 -0.000 0.000 0.276 124 V C -0.444 175.853 176.094 0.338 0.000 1.028 124 V CA -0.370 62.055 62.300 0.209 0.000 0.860 124 V CB 1.193 33.118 31.823 0.170 0.000 0.990 124 V HN 0.634 nan 8.190 nan 0.000 0.453 125 V N 7.057 127.165 119.914 0.323 0.000 2.444 125 V HA 0.685 4.805 4.120 -0.000 0.000 0.294 125 V C -0.514 175.810 176.094 0.383 0.000 1.022 125 V CA -0.525 61.936 62.300 0.269 0.000 0.850 125 V CB 1.237 33.157 31.823 0.163 0.000 0.992 125 V HN 0.806 nan 8.190 nan 0.000 0.426 126 F N 1.485 121.548 119.950 0.188 0.000 2.645 126 F HA 0.872 5.399 4.527 0.001 0.000 0.310 126 F C -0.155 175.802 175.800 0.261 0.000 1.102 126 F CA -0.894 57.227 58.000 0.201 0.000 0.952 126 F CB 1.779 40.870 39.000 0.151 0.000 1.326 126 F HN 0.411 nan 8.300 nan 0.000 0.456 127 T N -0.802 113.962 114.554 0.351 0.000 2.859 127 T HA 0.867 5.217 4.350 -0.000 0.000 0.281 127 T C -0.313 174.597 174.700 0.350 0.000 1.005 127 T CA -0.449 61.798 62.100 0.244 0.000 1.025 127 T CB 1.410 70.357 68.868 0.131 0.000 0.977 127 T HN 1.335 nan 8.240 nan 0.000 0.458 128 G N 0.019 109.025 108.800 0.343 0.000 2.706 128 G HA2 0.699 4.659 3.960 -0.000 0.000 0.297 128 G HA3 0.699 4.659 3.960 -0.000 0.000 0.297 128 G C -1.388 173.632 174.900 0.199 0.000 1.403 128 G CA -0.839 44.454 45.100 0.322 0.000 0.954 128 G HN 1.062 nan 8.290 nan 0.000 0.500 129 A N 0.853 123.744 122.820 0.118 0.000 2.318 129 A HA 0.909 5.229 4.320 -0.000 0.000 0.324 129 A C 0.509 178.130 177.584 0.061 0.000 1.170 129 A CA 0.035 52.089 52.037 0.028 0.000 0.810 129 A CB 1.107 20.058 19.000 -0.082 0.000 1.198 129 A HN 1.479 nan 8.150 nan 0.000 0.484 130 T N -0.903 113.678 114.554 0.044 0.000 2.804 130 T HA 0.481 4.831 4.350 -0.000 0.000 0.272 130 T C 0.915 175.620 174.700 0.008 0.000 0.986 130 T CA 0.070 62.192 62.100 0.036 0.000 0.999 130 T CB 0.778 69.675 68.868 0.049 0.000 1.307 130 T HN 0.454 nan 8.240 nan 0.000 0.586 131 E N 0.993 121.195 120.200 0.004 0.000 2.085 131 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 131 E C 1.486 178.072 176.600 -0.023 0.000 0.994 131 E CA 2.172 58.565 56.400 -0.012 0.000 0.801 131 E CB -0.359 29.335 29.700 -0.011 0.000 0.743 131 E HN 0.774 nan 8.360 nan 0.000 0.453 132 D N -0.766 119.625 120.400 -0.015 0.000 2.389 132 D HA -0.006 4.634 4.640 -0.000 0.000 0.206 132 D C 0.345 176.623 176.300 -0.037 0.000 1.055 132 D CA 0.066 54.051 54.000 -0.024 0.000 0.856 132 D CB 0.037 40.828 40.800 -0.016 0.000 0.957 132 D HN 0.283 nan 8.370 nan 0.000 0.509 133 R N -1.193 119.285 120.500 -0.037 0.000 2.690 133 R HA 0.560 4.900 4.340 -0.000 0.000 0.269 133 R C -1.958 174.301 176.300 -0.067 0.000 1.037 133 R CA -0.962 55.100 56.100 -0.062 0.000 0.877 133 R CB 0.986 31.248 30.300 -0.063 0.000 1.255 133 R HN -0.166 nan 8.270 nan 0.000 0.467 134 V N 0.812 120.657 119.914 -0.115 0.000 2.472 134 V HA 0.849 4.969 4.120 -0.000 0.000 0.290 134 V C -0.103 175.892 176.094 -0.165 0.000 1.037 134 V CA -0.229 61.996 62.300 -0.125 0.000 0.908 134 V CB 1.094 32.814 31.823 -0.172 0.000 0.985 134 V HN 0.977 nan 8.190 nan 0.000 0.454 135 A N 4.192 126.915 122.820 -0.162 0.000 2.587 135 A HA 0.876 5.196 4.320 -0.000 0.000 0.293 135 A C -1.568 175.745 177.584 -0.451 0.000 1.087 135 A CA -0.627 51.168 52.037 -0.403 0.000 0.692 135 A CB 1.770 20.372 19.000 -0.663 0.000 1.291 135 A HN 0.837 nan 8.150 nan 0.000 0.407 136 L N 1.120 122.016 121.223 -0.545 0.000 2.282 136 L HA 0.788 5.128 4.340 -0.000 0.000 0.288 136 L C -1.613 174.894 176.870 -0.605 0.000 1.033 136 L CA -0.193 54.416 54.840 -0.384 0.000 0.807 136 L CB 0.479 42.409 42.059 -0.214 0.000 1.209 136 L HN 0.606 nan 8.230 nan 0.000 0.423 137 Y N 3.431 123.456 120.300 -0.459 0.000 2.536 137 Y HA 0.827 5.378 4.550 0.000 0.000 0.347 137 Y C -0.021 175.601 175.900 -0.464 0.000 1.000 137 Y CA -0.722 57.027 58.100 -0.585 0.000 1.051 137 Y CB 2.236 40.002 38.460 -1.157 0.000 1.259 137 Y HN 0.732 nan 8.280 nan 0.000 0.468 138 A N 2.419 125.204 122.820 -0.059 0.000 2.374 138 A HA 0.700 5.020 4.320 -0.000 0.000 0.305 138 A C -2.172 175.480 177.584 0.114 0.000 1.053 138 A CA -0.586 51.475 52.037 0.039 0.000 0.726 138 A CB 1.165 20.186 19.000 0.035 0.000 1.229 138 A HN 0.627 nan 8.150 nan 0.000 0.431 139 L N 3.381 124.720 121.223 0.193 0.000 2.298 139 L HA 0.683 5.023 4.340 -0.000 0.000 0.284 139 L C -0.663 176.275 176.870 0.114 0.000 1.013 139 L CA -0.200 54.742 54.840 0.171 0.000 0.824 139 L CB 0.974 43.172 42.059 0.231 0.000 1.221 139 L HN 0.854 nan 8.230 nan 0.000 0.418 140 D N 2.370 122.817 120.400 0.078 0.000 2.712 140 D HA 0.437 5.077 4.640 -0.000 0.000 0.252 140 D C 1.034 177.360 176.300 0.044 0.000 1.123 140 D CA -0.128 53.906 54.000 0.056 0.000 1.109 140 D CB 0.321 41.147 40.800 0.045 0.000 1.313 140 D HN 0.386 nan 8.370 nan 0.000 0.629 141 G N -1.308 107.512 108.800 0.033 0.000 2.470 141 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.220 141 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.220 141 G C 1.270 176.184 174.900 0.024 0.000 1.121 141 G CA 0.667 45.782 45.100 0.026 0.000 0.766 141 G HN 0.592 nan 8.290 nan 0.000 0.553 142 G N -0.503 108.312 108.800 0.025 0.000 2.572 142 G HA2 0.426 4.386 3.960 -0.000 0.000 0.216 142 G HA3 0.426 4.386 3.960 -0.000 0.000 0.216 142 G C 0.835 175.750 174.900 0.026 0.000 1.133 142 G CA 0.699 45.813 45.100 0.023 0.000 0.791 142 G HN 1.307 nan 8.290 nan 0.000 0.538 143 G N -1.204 107.616 108.800 0.034 0.000 2.331 143 G HA2 0.224 4.184 3.960 -0.000 0.000 0.402 143 G HA3 0.224 4.184 3.960 -0.000 0.000 0.402 143 G C -1.335 173.599 174.900 0.057 0.000 1.275 143 G CA -0.399 44.724 45.100 0.039 0.000 1.003 143 G HN 0.767 nan 8.290 nan 0.000 0.500 144 L N 0.436 121.698 121.223 0.066 0.000 2.312 144 L HA 0.872 5.212 4.340 -0.000 0.000 0.281 144 L C 0.521 177.445 176.870 0.090 0.000 1.070 144 L CA -0.356 54.543 54.840 0.098 0.000 0.805 144 L CB 0.886 43.008 42.059 0.106 0.000 1.174 144 L HN 0.651 nan 8.230 nan 0.000 0.434 145 R N 3.500 124.058 120.500 0.096 0.000 2.621 145 R HA 0.340 4.680 4.340 -0.000 0.000 0.292 145 R C -1.134 175.196 176.300 0.050 0.000 0.969 145 R CA -0.743 55.392 56.100 0.058 0.000 0.887 145 R CB 1.849 32.161 30.300 0.021 0.000 1.180 145 R HN 0.631 nan 8.270 nan 0.000 0.450 146 E N 3.995 124.189 120.200 -0.011 0.000 2.105 146 E HA 0.070 4.419 4.350 -0.000 0.000 0.285 146 E C 0.465 176.941 176.600 -0.206 0.000 1.055 146 E CA -0.153 56.114 56.400 -0.222 0.000 0.843 146 E CB 0.714 30.271 29.700 -0.237 0.000 1.067 146 E HN 0.552 nan 8.360 nan 0.000 0.398 147 L N 3.170 124.246 121.223 -0.245 0.000 2.095 147 L HA 0.178 4.517 4.340 -0.000 0.000 0.204 147 L C 0.862 177.623 176.870 -0.181 0.000 1.080 147 L CA 0.667 55.409 54.840 -0.163 0.000 0.759 147 L CB -0.174 41.812 42.059 -0.120 0.000 0.914 147 L HN 0.522 nan 8.230 nan 0.000 0.439 148 A N -0.556 122.105 122.820 -0.266 0.000 2.605 148 A HA 0.522 4.841 4.320 -0.000 0.000 0.294 148 A C -0.999 176.388 177.584 -0.328 0.000 1.062 148 A CA -0.622 51.261 52.037 -0.258 0.000 0.682 148 A CB 1.244 20.103 19.000 -0.235 0.000 1.278 148 A HN 0.063 nan 8.150 nan 0.000 0.410 149 R N 1.154 121.483 120.500 -0.286 0.000 2.357 149 R HA 0.634 4.974 4.340 -0.000 0.000 0.296 149 R C -1.084 175.005 176.300 -0.353 0.000 1.052 149 R CA -0.372 55.552 56.100 -0.292 0.000 0.988 149 R CB 0.396 30.561 30.300 -0.224 0.000 1.025 149 R HN 0.669 nan 8.270 nan 0.000 0.469 150 L N 6.273 127.269 121.223 -0.379 0.000 2.334 150 L HA 0.391 4.731 4.340 -0.000 0.000 0.275 150 L C -1.576 175.000 176.870 -0.491 0.000 1.036 150 L CA -2.292 52.227 54.840 -0.534 0.000 0.807 150 L CB 1.688 43.520 42.059 -0.380 0.000 1.231 150 L HN 0.533 nan 8.230 nan 0.000 0.438 151 P HA -0.060 nan 4.420 nan 0.000 0.218 151 P C 0.460 177.714 177.300 -0.075 0.000 1.148 151 P CA 0.656 63.512 63.100 -0.407 0.000 0.822 151 P CB 0.336 31.733 31.700 -0.505 0.000 0.784 152 G N -2.894 105.987 108.800 0.136 0.000 2.731 152 G HA2 0.374 4.333 3.960 -0.000 0.000 0.309 152 G HA3 0.374 4.333 3.960 -0.000 0.000 0.309 152 G C -1.377 173.671 174.900 0.246 0.000 1.273 152 G CA -0.830 44.411 45.100 0.236 0.000 0.798 152 G HN -0.135 nan 8.290 nan 0.000 0.509 153 F N 1.194 121.229 119.950 0.141 0.000 2.579 153 F HA 0.338 4.865 4.527 -0.001 0.000 0.397 153 F C 1.316 177.123 175.800 0.011 0.000 1.027 153 F CA 1.796 59.763 58.000 -0.056 0.000 1.217 153 F CB 0.458 39.404 39.000 -0.091 0.000 0.986 153 F HN 0.538 nan 8.300 nan 0.000 0.551 154 G N 3.468 112.187 108.800 -0.136 0.000 2.659 154 G HA2 0.704 4.663 3.960 -0.000 0.000 0.296 154 G HA3 0.704 4.663 3.960 -0.000 0.000 0.296 154 G C -2.005 172.687 174.900 -0.347 0.000 1.369 154 G CA -0.706 44.398 45.100 0.006 0.000 0.937 154 G HN 0.365 nan 8.290 nan 0.000 0.485 155 F N 0.351 120.606 119.950 0.509 0.000 2.561 155 F HA 0.431 4.957 4.527 -0.001 0.000 0.313 155 F C 0.207 176.181 175.800 0.290 0.000 1.126 155 F CA -0.968 57.243 58.000 0.352 0.000 0.918 155 F CB 2.498 41.653 39.000 0.258 0.000 1.199 155 F HN 0.283 nan 8.300 nan 0.000 0.444 156 V N 2.571 122.728 119.914 0.405 0.000 2.572 156 V HA 0.114 4.234 4.120 -0.000 0.000 0.291 156 V C 0.400 176.600 176.094 0.175 0.000 1.039 156 V CA 0.448 62.895 62.300 0.244 0.000 1.055 156 V CB 1.130 33.102 31.823 0.248 0.000 0.969 156 V HN 1.003 nan 8.190 nan 0.000 0.482 157 S N 2.115 117.843 115.700 0.046 0.000 2.506 157 S HA 0.153 4.623 4.470 -0.000 0.000 0.230 157 S C 0.241 174.882 174.600 0.068 0.000 1.066 157 S CA 0.230 58.457 58.200 0.045 0.000 0.940 157 S CB 0.192 63.360 63.200 -0.054 0.000 0.818 157 S HN 0.925 nan 8.310 nan 0.000 0.518 158 D N -0.964 119.461 120.400 0.043 0.000 2.683 158 D HA 0.470 5.110 4.640 -0.000 0.000 0.246 158 D C -1.922 174.416 176.300 0.063 0.000 1.238 158 D CA -0.409 53.636 54.000 0.074 0.000 0.759 158 D CB 1.171 42.002 40.800 0.053 0.000 1.349 158 D HN 0.015 nan 8.370 nan 0.000 0.426 159 I N 1.630 122.255 120.570 0.092 0.000 2.569 159 I HA 0.487 4.657 4.170 -0.000 0.000 0.290 159 I C -0.544 175.612 176.117 0.066 0.000 1.088 159 I CA -0.763 60.577 61.300 0.067 0.000 1.047 159 I CB 2.292 40.333 38.000 0.069 0.000 1.237 159 I HN 0.123 nan 8.210 nan 0.000 0.421 160 R N 4.098 124.615 120.500 0.029 0.000 2.515 160 R HA 0.573 4.913 4.340 -0.000 0.000 0.291 160 R C 0.314 176.609 176.300 -0.007 0.000 1.046 160 R CA 0.272 56.382 56.100 0.016 0.000 0.914 160 R CB 1.887 32.190 30.300 0.005 0.000 1.191 160 R HN 0.913 nan 8.270 nan 0.000 0.435 161 G N 3.599 112.388 108.800 -0.019 0.000 2.611 161 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.301 161 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.301 161 G C 0.150 175.043 174.900 -0.011 0.000 1.233 161 G CA 0.633 45.721 45.100 -0.019 0.000 0.993 161 G HN 0.684 nan 8.290 nan 0.000 0.553 162 D N 0.227 120.624 120.400 -0.004 0.000 2.328 162 D HA 0.284 4.924 4.640 -0.000 0.000 0.226 162 D C 0.749 177.057 176.300 0.013 0.000 1.066 162 D CA 0.028 54.031 54.000 0.005 0.000 0.861 162 D CB 0.134 40.937 40.800 0.005 0.000 0.912 162 D HN 0.298 nan 8.370 nan 0.000 0.521 163 L N 1.282 122.511 121.223 0.009 0.000 2.265 163 L HA 0.371 4.711 4.340 -0.000 0.000 0.288 163 L C -0.605 176.278 176.870 0.021 0.000 1.058 163 L CA -0.274 54.575 54.840 0.014 0.000 0.809 163 L CB 0.559 42.615 42.059 -0.006 0.000 1.179 163 L HN -0.167 nan 8.230 nan 0.000 0.429 164 I N 4.956 125.551 120.570 0.042 0.000 2.412 164 I HA 0.675 4.845 4.170 -0.000 0.000 0.296 164 I C -0.018 176.105 176.117 0.010 0.000 0.987 164 I CA -0.438 60.891 61.300 0.048 0.000 1.180 164 I CB 1.726 39.785 38.000 0.098 0.000 1.340 164 I HN 0.761 nan 8.210 nan 0.000 0.455 165 A N 4.219 126.999 122.820 -0.066 0.000 2.355 165 A HA 0.948 5.267 4.320 -0.000 0.000 0.317 165 A C -0.305 177.042 177.584 -0.395 0.000 1.094 165 A CA -0.426 51.486 52.037 -0.208 0.000 0.764 165 A CB 1.564 20.465 19.000 -0.165 0.000 1.230 165 A HN 0.846 nan 8.150 nan 0.000 0.448 166 G N -0.076 108.185 108.800 -0.898 0.000 2.687 166 G HA2 0.608 4.568 3.960 -0.000 0.000 0.291 166 G HA3 0.608 4.568 3.960 -0.000 0.000 0.291 166 G C -1.687 172.639 174.900 -0.956 0.000 1.420 166 G CA -0.665 43.748 45.100 -1.146 0.000 0.796 166 G HN 0.731 nan 8.290 nan 0.000 0.485 167 L N 0.040 121.080 121.223 -0.304 0.000 2.365 167 L HA 0.761 5.101 4.340 -0.000 0.000 0.273 167 L C 0.330 177.345 176.870 0.242 0.000 1.000 167 L CA -0.828 54.005 54.840 -0.012 0.000 0.819 167 L CB 2.507 44.588 42.059 0.038 0.000 1.284 167 L HN 0.747 nan 8.230 nan 0.000 0.418 168 G N 1.355 110.058 108.800 -0.162 0.000 2.609 168 G HA2 0.575 4.535 3.960 -0.000 0.000 0.308 168 G HA3 0.575 4.535 3.960 -0.000 0.000 0.308 168 G C -1.169 173.213 174.900 -0.863 0.000 1.369 168 G CA -0.329 44.204 45.100 -0.945 0.000 0.958 168 G HN 0.316 nan 8.290 nan 0.000 0.499 169 F N 2.885 122.702 119.950 -0.221 0.000 2.567 169 F HA 0.314 4.841 4.527 0.000 0.000 0.352 169 F C 0.769 176.752 175.800 0.305 0.000 1.229 169 F CA -0.432 57.638 58.000 0.118 0.000 1.228 169 F CB 0.040 39.270 39.000 0.382 0.000 1.568 169 F HN 0.507 nan 8.300 nan 0.000 0.634 170 F N 0.696 120.818 119.950 0.285 0.000 2.664 170 F HA 0.432 4.959 4.527 -0.000 0.000 0.303 170 F C 1.174 177.071 175.800 0.162 0.000 1.092 170 F CA -0.397 57.717 58.000 0.190 0.000 1.305 170 F CB 0.582 39.654 39.000 0.119 0.000 1.054 170 F HN 0.391 nan 8.300 nan 0.000 0.565 171 G N -1.060 107.948 108.800 0.347 0.000 2.378 171 G HA2 0.350 4.310 3.960 -0.000 0.000 0.302 171 G HA3 0.350 4.310 3.960 -0.000 0.000 0.302 171 G C 0.182 175.200 174.900 0.197 0.000 1.669 171 G CA -0.254 44.990 45.100 0.241 0.000 0.920 171 G HN 0.296 nan 8.290 nan 0.000 0.697 172 G N -0.563 108.334 108.800 0.162 0.000 2.233 172 G HA2 0.262 4.222 3.960 -0.000 0.000 0.270 172 G HA3 0.262 4.222 3.960 -0.000 0.000 0.270 172 G C 2.035 177.032 174.900 0.161 0.000 1.011 172 G CA 1.523 46.698 45.100 0.125 0.000 0.762 172 G HN 2.898 nan 8.290 nan 0.000 0.511 173 G N -1.664 107.299 108.800 0.271 0.000 2.184 173 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.264 173 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.264 173 G C 0.530 175.509 174.900 0.133 0.000 0.975 173 G CA 1.102 46.420 45.100 0.364 0.000 0.642 173 G HN 1.041 nan 8.290 nan 0.000 0.536 174 R N -0.391 120.160 120.500 0.086 0.000 2.490 174 R HA 0.512 4.852 4.340 -0.000 0.000 0.278 174 R C -0.006 176.191 176.300 -0.171 0.000 1.069 174 R CA -0.466 55.605 56.100 -0.048 0.000 1.080 174 R CB 1.521 31.824 30.300 0.005 0.000 1.030 174 R HN 0.084 nan 8.270 nan 0.000 0.491 175 V N 2.282 122.011 119.914 -0.307 0.000 2.370 175 V HA 0.194 4.314 4.120 -0.000 0.000 0.279 175 V C 0.009 176.057 176.094 -0.078 0.000 1.029 175 V CA -0.475 61.570 62.300 -0.424 0.000 0.870 175 V CB 1.462 32.950 31.823 -0.558 0.000 0.984 175 V HN 0.767 nan 8.190 nan 0.000 0.451 176 S N 4.523 120.181 115.700 -0.070 0.000 2.654 176 S HA 0.671 5.140 4.470 -0.000 0.000 0.283 176 S C -0.371 174.298 174.600 0.116 0.000 1.180 176 S CA -0.496 57.803 58.200 0.165 0.000 1.021 176 S CB 1.700 64.989 63.200 0.149 0.000 1.018 176 S HN 0.580 nan 8.310 nan 0.000 0.532 177 L N 3.103 124.338 121.223 0.020 0.000 2.350 177 L HA 0.662 5.002 4.340 -0.000 0.000 0.275 177 L C -0.896 176.076 176.870 0.169 0.000 1.099 177 L CA -0.148 54.559 54.840 -0.223 0.000 0.808 177 L CB 0.188 41.751 42.059 -0.827 0.000 1.149 177 L HN 0.629 nan 8.230 nan 0.000 0.442 178 F N 1.238 121.253 119.950 0.108 0.000 2.588 178 F HA 0.901 5.428 4.527 -0.001 0.000 0.314 178 F C -0.537 175.371 175.800 0.179 0.000 1.069 178 F CA -0.504 57.616 58.000 0.200 0.000 0.931 178 F CB 1.353 40.505 39.000 0.253 0.000 1.260 178 F HN 0.576 nan 8.300 nan 0.000 0.465 179 T N -0.749 114.070 114.554 0.441 0.000 2.916 179 T HA 0.783 5.133 4.350 -0.000 0.000 0.292 179 T C -0.907 173.977 174.700 0.307 0.000 1.055 179 T CA -0.660 61.617 62.100 0.294 0.000 1.009 179 T CB 1.602 70.613 68.868 0.237 0.000 1.118 179 T HN 1.018 nan 8.240 nan 0.000 0.497 180 S N 0.293 116.121 115.700 0.214 0.000 2.705 180 S HA 0.564 5.033 4.470 -0.000 0.000 0.280 180 S C -1.773 172.878 174.600 0.086 0.000 1.174 180 S CA -0.882 57.400 58.200 0.137 0.000 0.823 180 S CB 1.640 64.920 63.200 0.133 0.000 1.162 180 S HN 0.914 nan 8.310 nan 0.000 0.487 181 N N 1.896 120.626 118.700 0.051 0.000 2.407 181 N HA 0.247 4.986 4.740 -0.000 0.000 0.277 181 N C 0.661 176.186 175.510 0.024 0.000 0.995 181 N CA -0.399 52.671 53.050 0.033 0.000 0.903 181 N CB 1.538 40.038 38.487 0.022 0.000 1.218 181 N HN 0.569 nan 8.380 nan 0.000 0.487 182 L N 3.858 125.096 121.223 0.026 0.000 2.043 182 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 182 L C 1.799 178.678 176.870 0.014 0.000 1.075 182 L CA 1.995 56.849 54.840 0.024 0.000 0.752 182 L CB -0.500 41.573 42.059 0.023 0.000 0.891 182 L HN 0.558 nan 8.230 nan 0.000 0.432 183 S N -1.451 114.255 115.700 0.011 0.000 2.406 183 S HA -0.012 4.458 4.470 -0.000 0.000 0.224 183 S C 1.548 176.149 174.600 0.002 0.000 1.030 183 S CA 0.981 59.185 58.200 0.007 0.000 0.958 183 S CB -0.034 63.169 63.200 0.006 0.000 0.811 183 S HN 0.720 nan 8.310 nan 0.000 0.489 184 S N -0.071 115.628 115.700 -0.001 0.000 2.780 184 S HA 0.567 5.037 4.470 -0.000 0.000 0.248 184 S C 0.991 175.582 174.600 -0.016 0.000 1.036 184 S CA 0.194 58.390 58.200 -0.007 0.000 1.061 184 S CB 0.300 63.497 63.200 -0.005 0.000 1.037 184 S HN 0.684 nan 8.310 nan 0.000 0.584 185 G N 1.227 110.018 108.800 -0.016 0.000 2.552 185 G HA2 0.273 4.233 3.960 -0.000 0.000 0.265 185 G HA3 0.273 4.233 3.960 -0.000 0.000 0.265 185 G C 0.490 175.375 174.900 -0.025 0.000 1.234 185 G CA -0.105 44.977 45.100 -0.030 0.000 0.944 185 G HN 2.153 nan 8.290 nan 0.000 0.568 186 G N -2.670 106.102 108.800 -0.048 0.000 2.712 186 G HA2 0.449 4.409 3.960 -0.000 0.000 0.683 186 G HA3 0.449 4.409 3.960 -0.000 0.000 0.683 186 G C -0.911 173.962 174.900 -0.045 0.000 1.320 186 G CA 0.252 45.324 45.100 -0.047 0.000 0.847 186 G HN 2.280 nan 8.290 nan 0.000 0.553 187 L N -0.405 120.786 121.223 -0.054 0.000 2.505 187 L HA 0.823 5.163 4.340 -0.000 0.000 0.266 187 L C -0.008 176.830 176.870 -0.054 0.000 0.954 187 L CA -0.733 54.080 54.840 -0.046 0.000 0.852 187 L CB 2.321 44.299 42.059 -0.134 0.000 1.282 187 L HN 0.988 nan 8.230 nan 0.000 0.403 188 R N 2.848 123.337 120.500 -0.019 0.000 2.494 188 R HA 0.894 5.234 4.340 -0.000 0.000 0.305 188 R C -1.147 174.989 176.300 -0.272 0.000 0.959 188 R CA -0.706 55.277 56.100 -0.195 0.000 0.864 188 R CB 1.992 32.193 30.300 -0.165 0.000 1.159 188 R HN 0.458 nan 8.270 nan 0.000 0.446 189 V N 3.950 123.613 119.914 -0.419 0.000 2.448 189 V HA 0.600 4.720 4.120 -0.000 0.000 0.295 189 V C -0.888 174.935 176.094 -0.452 0.000 1.025 189 V CA -0.792 61.389 62.300 -0.198 0.000 0.859 189 V CB 1.399 33.252 31.823 0.049 0.000 0.988 189 V HN 0.776 nan 8.190 nan 0.000 0.431 190 F N 2.589 122.597 119.950 0.098 0.000 2.426 190 F HA 0.547 5.074 4.527 -0.000 0.000 0.348 190 F C 0.251 176.172 175.800 0.202 0.000 1.124 190 F CA -0.612 57.431 58.000 0.072 0.000 1.008 190 F CB 1.418 40.373 39.000 -0.075 0.000 1.139 190 F HN 0.375 nan 8.300 nan 0.000 0.452 191 D N 1.635 122.253 120.400 0.363 0.000 2.375 191 D HA 0.179 4.819 4.640 -0.000 0.000 0.247 191 D C -0.740 175.739 176.300 0.299 0.000 1.061 191 D CA -0.222 53.976 54.000 0.330 0.000 0.834 191 D CB 2.336 43.250 40.800 0.189 0.000 1.247 191 D HN 0.363 nan 8.370 nan 0.000 0.489 192 S N 0.479 116.304 115.700 0.207 0.000 2.508 192 S HA 0.450 4.920 4.470 -0.000 0.000 0.284 192 S C 1.297 175.891 174.600 -0.011 0.000 1.192 192 S CA -0.551 57.662 58.200 0.023 0.000 1.070 192 S CB 1.232 64.263 63.200 -0.282 0.000 1.004 192 S HN 0.501 nan 8.310 nan 0.000 0.493 193 G N 2.705 111.509 108.800 0.006 0.000 2.650 193 G HA2 0.022 3.982 3.960 -0.000 0.000 0.214 193 G HA3 0.022 3.982 3.960 -0.000 0.000 0.214 193 G C 0.853 175.738 174.900 -0.026 0.000 1.136 193 G CA 0.129 45.228 45.100 -0.000 0.000 0.789 193 G HN 0.814 nan 8.290 nan 0.000 0.536 194 E N -0.629 119.536 120.200 -0.058 0.000 2.452 194 E HA 0.367 4.717 4.350 -0.000 0.000 0.197 194 E C 1.302 177.845 176.600 -0.096 0.000 1.022 194 E CA 0.272 56.632 56.400 -0.066 0.000 0.890 194 E CB 0.745 30.404 29.700 -0.069 0.000 0.918 194 E HN 0.376 nan 8.360 nan 0.000 0.496 195 G N 0.276 108.989 108.800 -0.144 0.000 2.399 195 G HA2 0.123 4.083 3.960 -0.000 0.000 0.256 195 G HA3 0.123 4.083 3.960 -0.000 0.000 0.256 195 G C -1.243 173.497 174.900 -0.266 0.000 1.236 195 G CA -0.699 44.299 45.100 -0.171 0.000 0.914 195 G HN -0.009 nan 8.290 nan 0.000 0.482 196 S N -0.415 115.109 115.700 -0.293 0.000 2.513 196 S HA 0.722 5.192 4.470 -0.000 0.000 0.299 196 S C -0.875 173.492 174.600 -0.388 0.000 1.087 196 S CA -0.417 57.595 58.200 -0.313 0.000 1.012 196 S CB 1.147 64.210 63.200 -0.229 0.000 1.044 196 S HN 0.438 nan 8.310 nan 0.000 0.485 197 F N 2.007 121.891 119.950 -0.110 0.000 2.471 197 F HA 0.256 4.783 4.527 -0.000 0.000 0.353 197 F C 1.732 177.453 175.800 -0.132 0.000 1.113 197 F CA 0.032 57.970 58.000 -0.104 0.000 1.262 197 F CB 0.992 39.935 39.000 -0.094 0.000 1.146 197 F HN 0.689 nan 8.300 nan 0.000 0.578 198 S N -0.196 115.541 115.700 0.062 0.000 2.628 198 S HA 0.357 4.827 4.470 -0.000 0.000 0.246 198 S C 0.060 174.663 174.600 0.004 0.000 1.062 198 S CA 0.048 58.248 58.200 -0.000 0.000 1.028 198 S CB 0.231 63.426 63.200 -0.008 0.000 0.985 198 S HN 0.479 nan 8.310 nan 0.000 0.551 199 S N -0.172 115.526 115.700 -0.003 0.000 2.567 199 S HA 0.826 5.295 4.470 -0.000 0.000 0.270 199 S C -1.548 172.993 174.600 -0.098 0.000 1.152 199 S CA -0.243 57.920 58.200 -0.062 0.000 0.835 199 S CB 1.727 64.859 63.200 -0.113 0.000 1.115 199 S HN 0.993 nan 8.310 nan 0.000 0.459 200 A N 1.011 123.741 122.820 -0.149 0.000 2.574 200 A HA 0.915 5.235 4.320 -0.000 0.000 0.297 200 A C -0.967 176.524 177.584 -0.157 0.000 1.062 200 A CA -0.633 51.311 52.037 -0.155 0.000 0.686 200 A CB 1.920 20.820 19.000 -0.167 0.000 1.285 200 A HN 0.794 nan 8.150 nan 0.000 0.403 201 S N 0.989 116.624 115.700 -0.109 0.000 2.543 201 S HA 0.604 5.074 4.470 -0.000 0.000 0.271 201 S C -1.211 173.447 174.600 0.097 0.000 1.148 201 S CA -0.476 57.721 58.200 -0.004 0.000 0.914 201 S CB 0.598 63.776 63.200 -0.037 0.000 1.096 201 S HN 0.656 nan 8.310 nan 0.000 0.471 202 I N 4.413 125.011 120.570 0.048 0.000 2.396 202 I HA 0.232 4.401 4.170 -0.000 0.000 0.289 202 I C 1.027 177.000 176.117 -0.240 0.000 1.056 202 I CA -0.156 61.110 61.300 -0.058 0.000 1.365 202 I CB 1.365 39.330 38.000 -0.058 0.000 1.407 202 I HN 0.734 nan 8.210 nan 0.000 0.509 203 S N 6.658 122.095 115.700 -0.440 0.000 2.589 203 S HA 0.236 4.706 4.470 -0.000 0.000 0.265 203 S C -1.755 172.530 174.600 -0.526 0.000 1.342 203 S CA -0.982 56.640 58.200 -0.963 0.000 1.005 203 S CB 0.618 63.461 63.200 -0.595 0.000 0.909 203 S HN 0.404 nan 8.310 nan 0.000 0.555 204 P HA 0.029 nan 4.420 nan 0.000 0.218 204 P C 1.311 178.510 177.300 -0.170 0.000 1.148 204 P CA 1.507 64.463 63.100 -0.240 0.000 0.822 204 P CB -0.439 31.148 31.700 -0.188 0.000 0.784 205 G N -1.326 107.366 108.800 -0.180 0.000 3.061 205 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.208 205 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.208 205 G C 0.531 175.365 174.900 -0.111 0.000 1.175 205 G CA -0.076 44.952 45.100 -0.120 0.000 0.812 205 G HN 0.022 nan 8.290 nan 0.000 0.523 206 M N -1.319 118.202 119.600 -0.131 0.000 2.537 206 M HA -0.136 4.344 4.480 -0.000 0.000 0.205 206 M C -0.182 176.054 176.300 -0.106 0.000 0.450 206 M CA 0.889 56.126 55.300 -0.105 0.000 0.553 206 M CB -1.984 30.573 32.600 -0.071 0.000 2.046 206 M HN 0.203 nan 8.290 nan 0.000 0.797 207 K N -0.372 119.952 120.400 -0.127 0.000 2.166 207 K HA 0.752 5.072 4.320 -0.000 0.000 0.245 207 K C -0.073 176.448 176.600 -0.131 0.000 0.967 207 K CA -0.538 55.674 56.287 -0.126 0.000 0.863 207 K CB 1.781 34.218 32.500 -0.105 0.000 1.107 207 K HN 0.047 nan 8.250 nan 0.000 0.436 208 V N 2.424 122.243 119.914 -0.159 0.000 2.348 208 V HA 0.218 4.338 4.120 -0.000 0.000 0.270 208 V C -0.314 175.712 176.094 -0.114 0.000 1.037 208 V CA -0.707 61.500 62.300 -0.155 0.000 0.872 208 V CB 0.977 32.651 31.823 -0.248 0.000 1.002 208 V HN 0.715 nan 8.190 nan 0.000 0.464 209 T N 5.031 119.570 114.554 -0.025 0.000 2.851 209 T HA 0.612 4.962 4.350 -0.000 0.000 0.298 209 T C 0.222 174.879 174.700 -0.072 0.000 0.977 209 T CA 0.050 62.139 62.100 -0.019 0.000 1.126 209 T CB 1.051 69.950 68.868 0.052 0.000 0.916 209 T HN 0.953 nan 8.240 nan 0.000 0.529 210 A N 2.506 125.301 122.820 -0.041 0.000 2.486 210 A HA 0.794 5.114 4.320 -0.000 0.000 0.300 210 A C 0.268 177.884 177.584 0.053 0.000 1.048 210 A CA -0.790 51.255 52.037 0.012 0.000 0.696 210 A CB 1.388 20.447 19.000 0.099 0.000 1.278 210 A HN 0.951 nan 8.150 nan 0.000 0.405 211 G N -0.006 108.810 108.800 0.027 0.000 2.442 211 G HA2 0.516 4.476 3.960 -0.000 0.000 0.249 211 G HA3 0.516 4.476 3.960 -0.000 0.000 0.249 211 G C -0.752 174.180 174.900 0.053 0.000 1.263 211 G CA -0.039 45.081 45.100 0.034 0.000 0.846 211 G HN 1.119 nan 8.290 nan 0.000 0.555 212 L N 1.300 122.515 121.223 -0.013 0.000 2.343 212 L HA 0.469 4.809 4.340 -0.000 0.000 0.278 212 L C -0.240 176.564 176.870 -0.111 0.000 0.996 212 L CA -0.617 54.127 54.840 -0.160 0.000 0.831 212 L CB 1.623 43.563 42.059 -0.197 0.000 1.232 212 L HN 0.587 nan 8.230 nan 0.000 0.413 213 E N 3.833 123.954 120.200 -0.131 0.000 2.081 213 E HA 0.385 4.735 4.350 -0.000 0.000 0.281 213 E C -0.183 176.361 176.600 -0.093 0.000 0.986 213 E CA -0.359 55.993 56.400 -0.079 0.000 0.796 213 E CB 0.925 30.591 29.700 -0.058 0.000 1.085 213 E HN 0.747 nan 8.360 nan 0.000 0.398 214 T N -0.745 113.769 114.554 -0.066 0.000 2.888 214 T HA 0.481 4.831 4.350 -0.000 0.000 0.283 214 T C 1.520 176.210 174.700 -0.017 0.000 1.013 214 T CA -0.155 61.911 62.100 -0.055 0.000 0.938 214 T CB 1.087 69.923 68.868 -0.053 0.000 1.298 214 T HN 0.320 nan 8.240 nan 0.000 0.580 215 A N 0.829 123.646 122.820 -0.005 0.000 1.882 215 A HA 0.004 4.324 4.320 -0.000 0.000 0.220 215 A C 2.438 180.051 177.584 0.048 0.000 1.253 215 A CA 3.247 55.300 52.037 0.026 0.000 0.664 215 A CB -1.597 17.416 19.000 0.021 0.000 0.838 215 A HN 1.457 nan 8.150 nan 0.000 0.460 216 R N -0.347 120.167 120.500 0.025 0.000 2.616 216 R HA 0.431 4.771 4.340 -0.000 0.000 0.427 216 R C -0.021 176.277 176.300 -0.003 0.000 1.030 216 R CA 0.749 56.867 56.100 0.029 0.000 1.133 216 R CB -0.399 29.910 30.300 0.016 0.000 1.444 216 R HN 0.875 nan 8.270 nan 0.000 0.578 217 E N -1.813 118.377 120.200 -0.016 0.000 2.454 217 E HA 0.768 5.117 4.350 -0.000 0.000 0.279 217 E C -1.450 175.129 176.600 -0.034 0.000 1.029 217 E CA -0.458 55.917 56.400 -0.041 0.000 0.831 217 E CB 1.263 30.928 29.700 -0.059 0.000 1.405 217 E HN 0.445 nan 8.360 nan 0.000 0.463 218 A N 0.752 123.549 122.820 -0.037 0.000 2.449 218 A HA 0.827 5.147 4.320 -0.000 0.000 0.302 218 A C -0.534 177.068 177.584 0.029 0.000 1.048 218 A CA -0.685 51.353 52.037 0.002 0.000 0.708 218 A CB 1.370 20.394 19.000 0.040 0.000 1.274 218 A HN 0.745 nan 8.150 nan 0.000 0.410 219 R N 0.969 121.510 120.500 0.068 0.000 2.831 219 R HA 0.841 5.181 4.340 -0.000 0.000 0.266 219 R C -1.730 174.651 176.300 0.135 0.000 1.051 219 R CA -0.926 55.260 56.100 0.143 0.000 0.943 219 R CB 1.011 31.352 30.300 0.068 0.000 1.228 219 R HN 0.456 nan 8.270 nan 0.000 0.467 220 L N 1.661 122.963 121.223 0.132 0.000 2.309 220 L HA 0.664 5.004 4.340 -0.000 0.000 0.282 220 L C -0.216 176.666 176.870 0.020 0.000 1.036 220 L CA -1.095 53.754 54.840 0.014 0.000 0.806 220 L CB 1.846 43.831 42.059 -0.124 0.000 1.220 220 L HN 0.590 nan 8.230 nan 0.000 0.429 221 V N -0.815 119.115 119.914 0.026 0.000 3.040 221 V HA 0.672 4.792 4.120 -0.000 0.000 0.312 221 V C -0.314 175.789 176.094 0.016 0.000 1.115 221 V CA -0.493 61.830 62.300 0.038 0.000 0.998 221 V CB 2.027 33.903 31.823 0.088 0.000 1.042 221 V HN 0.658 nan 8.190 nan 0.000 0.433 222 T N 2.295 116.849 114.554 -0.001 0.000 2.771 222 T HA 0.683 5.033 4.350 -0.000 0.000 0.281 222 T C -0.478 174.181 174.700 -0.069 0.000 0.982 222 T CA -0.316 61.762 62.100 -0.036 0.000 0.978 222 T CB 1.340 70.189 68.868 -0.032 0.000 0.930 222 T HN 0.768 nan 8.240 nan 0.000 0.447 223 V N 3.492 123.315 119.914 -0.152 0.000 2.409 223 V HA 0.337 4.457 4.120 -0.000 0.000 0.291 223 V C -0.063 175.856 176.094 -0.292 0.000 1.020 223 V CA -1.010 61.129 62.300 -0.268 0.000 0.848 223 V CB 1.752 33.285 31.823 -0.483 0.000 0.990 223 V HN 0.805 nan 8.190 nan 0.000 0.430 224 D N 7.252 127.511 120.400 -0.234 0.000 2.317 224 D HA 0.263 4.902 4.640 -0.000 0.000 0.252 224 D C -1.516 174.633 176.300 -0.251 0.000 1.174 224 D CA -1.849 52.042 54.000 -0.181 0.000 0.866 224 D CB 2.426 43.172 40.800 -0.089 0.000 1.127 224 D HN 0.247 nan 8.370 nan 0.000 0.467 225 P HA -0.031 nan 4.420 nan 0.000 0.229 225 P C 1.221 178.603 177.300 0.136 0.000 1.160 225 P CA 0.393 63.439 63.100 -0.089 0.000 0.777 225 P CB 0.725 32.408 31.700 -0.029 0.000 0.814 226 R N 1.252 121.786 120.500 0.057 0.000 2.070 226 R HA -0.066 4.274 4.340 -0.000 0.000 0.227 226 R C 0.641 177.002 176.300 0.101 0.000 1.147 226 R CA 1.761 57.904 56.100 0.072 0.000 0.924 226 R CB -1.059 29.259 30.300 0.030 0.000 0.827 226 R HN 0.278 nan 8.270 nan 0.000 0.431 227 D N -2.447 118.000 120.400 0.079 0.000 2.466 227 D HA 0.271 4.910 4.640 -0.000 0.000 0.262 227 D C 0.512 176.907 176.300 0.159 0.000 1.177 227 D CA -0.384 53.675 54.000 0.099 0.000 1.035 227 D CB 0.413 41.248 40.800 0.058 0.000 1.105 227 D HN 0.211 nan 8.370 nan 0.000 0.551 228 G N -1.118 107.800 108.800 0.197 0.000 3.518 228 G HA2 0.213 4.173 3.960 -0.000 0.000 0.273 228 G HA3 0.213 4.173 3.960 -0.000 0.000 0.273 228 G C 0.112 175.079 174.900 0.111 0.000 1.199 228 G CA -0.301 44.972 45.100 0.289 0.000 0.899 228 G HN 0.570 nan 8.290 nan 0.000 0.533 229 S N -0.101 115.621 115.700 0.037 0.000 2.516 229 S HA 0.435 4.905 4.470 -0.000 0.000 0.282 229 S C -0.156 174.436 174.600 -0.014 0.000 1.286 229 S CA -0.449 57.761 58.200 0.017 0.000 1.066 229 S CB 1.750 64.955 63.200 0.008 0.000 0.884 229 S HN 0.037 nan 8.310 nan 0.000 0.491 230 V N 4.261 124.186 119.914 0.018 0.000 2.409 230 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 230 V C 0.032 176.139 176.094 0.021 0.000 1.020 230 V CA -0.648 61.666 62.300 0.023 0.000 0.848 230 V CB 1.107 32.978 31.823 0.080 0.000 0.990 230 V HN 0.985 nan 8.190 nan 0.000 0.430 231 E N 2.072 122.278 120.200 0.009 0.000 2.281 231 E HA 0.472 4.822 4.350 -0.000 0.000 0.262 231 E C -1.411 175.198 176.600 0.015 0.000 0.933 231 E CA -1.056 55.349 56.400 0.010 0.000 0.809 231 E CB 1.573 31.273 29.700 0.001 0.000 1.242 231 E HN 0.567 nan 8.360 nan 0.000 0.418 232 D N 1.048 121.456 120.400 0.013 0.000 2.345 232 D HA 0.176 4.816 4.640 -0.000 0.000 0.247 232 D C -0.875 175.431 176.300 0.009 0.000 1.108 232 D CA -0.252 53.757 54.000 0.015 0.000 0.894 232 D CB 0.673 41.482 40.800 0.016 0.000 1.203 232 D HN 0.080 nan 8.370 nan 0.000 0.430 233 L N 2.258 123.484 121.223 0.006 0.000 2.275 233 L HA 0.361 4.701 4.340 -0.000 0.000 0.288 233 L C -0.342 176.526 176.870 -0.003 0.000 1.046 233 L CA -0.314 54.522 54.840 -0.007 0.000 0.805 233 L CB 1.136 43.179 42.059 -0.027 0.000 1.193 233 L HN 0.179 nan 8.230 nan 0.000 0.426 234 E N 3.618 123.818 120.200 -0.000 0.000 2.179 234 E HA 0.608 4.958 4.350 -0.000 0.000 0.275 234 E C -1.267 175.331 176.600 -0.004 0.000 0.945 234 E CA -0.307 56.098 56.400 0.007 0.000 0.792 234 E CB 1.383 31.090 29.700 0.012 0.000 1.125 234 E HN 0.601 nan 8.360 nan 0.000 0.397 235 L N 5.026 126.247 121.223 -0.003 0.000 2.352 235 L HA 0.483 4.823 4.340 -0.000 0.000 0.269 235 L C -1.266 175.608 176.870 0.008 0.000 1.034 235 L CA -1.760 53.072 54.840 -0.014 0.000 0.806 235 L CB 1.022 43.055 42.059 -0.043 0.000 1.244 235 L HN 0.583 nan 8.230 nan 0.000 0.447 236 P HA -0.091 nan 4.420 nan 0.000 0.217 236 P C 0.534 177.850 177.300 0.026 0.000 1.150 236 P CA 0.805 63.915 63.100 0.017 0.000 0.832 236 P CB 0.259 31.968 31.700 0.015 0.000 0.787 237 S N -0.951 114.771 115.700 0.037 0.000 2.578 237 S HA 0.520 4.990 4.470 -0.000 0.000 0.283 237 S C 0.882 175.520 174.600 0.064 0.000 1.195 237 S CA -0.156 58.077 58.200 0.055 0.000 1.050 237 S CB 0.911 64.157 63.200 0.076 0.000 1.012 237 S HN 0.103 nan 8.310 nan 0.000 0.511 238 K N 1.992 122.431 120.400 0.066 0.000 2.399 238 K HA 0.225 4.545 4.320 -0.000 0.000 0.204 238 K C 0.796 177.438 176.600 0.070 0.000 1.023 238 K CA 0.328 56.650 56.287 0.059 0.000 1.127 238 K CB -0.518 32.005 32.500 0.039 0.000 0.856 238 K HN 0.729 nan 8.250 nan 0.000 0.514 239 D N 0.023 120.495 120.400 0.120 0.000 2.144 239 D HA -0.118 4.521 4.640 -0.000 0.000 0.199 239 D C 1.500 177.862 176.300 0.104 0.000 0.984 239 D CA 0.961 55.075 54.000 0.191 0.000 0.834 239 D CB -0.229 40.768 40.800 0.329 0.000 0.955 239 D HN 0.493 nan 8.370 nan 0.000 0.465 240 F N 1.976 121.738 119.950 -0.314 0.000 2.075 240 F HA -0.231 4.296 4.527 -0.000 0.000 0.297 240 F C 2.480 178.088 175.800 -0.319 0.000 1.113 240 F CA 2.061 59.546 58.000 -0.858 0.000 1.218 240 F CB -0.486 37.978 39.000 -0.893 0.000 0.984 240 F HN -0.014 nan 8.300 nan 0.000 0.472 241 S N -0.816 114.732 115.700 -0.254 0.000 2.402 241 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 241 S C 2.061 176.537 174.600 -0.206 0.000 1.021 241 S CA 1.347 59.385 58.200 -0.269 0.000 0.974 241 S CB -0.972 62.195 63.200 -0.056 0.000 0.800 241 S HN 0.385 nan 8.310 nan 0.000 0.484 242 S N 0.579 116.222 115.700 -0.096 0.000 2.428 242 S HA 0.019 4.489 4.470 -0.000 0.000 0.230 242 S C 1.398 175.991 174.600 -0.011 0.000 1.014 242 S CA 0.822 59.001 58.200 -0.035 0.000 0.957 242 S CB -0.621 62.594 63.200 0.024 0.000 0.784 242 S HN 0.685 nan 8.310 nan 0.000 0.499 243 Y N 2.689 122.903 120.300 -0.144 0.000 2.256 243 Y HA -0.098 4.451 4.550 -0.000 0.000 0.288 243 Y C 0.656 176.470 175.900 -0.144 0.000 1.155 243 Y CA 1.147 59.199 58.100 -0.079 0.000 1.203 243 Y CB -0.103 38.363 38.460 0.011 0.000 0.980 243 Y HN 0.018 nan 8.280 nan 0.000 0.530 244 R N -0.257 120.072 120.500 -0.285 0.000 3.209 244 R HA -0.147 4.193 4.340 -0.000 0.000 0.252 244 R C -2.727 173.355 176.300 -0.363 0.000 0.958 244 R CA 0.623 56.535 56.100 -0.312 0.000 0.651 244 R CB -2.482 27.676 30.300 -0.236 0.000 1.142 244 R HN 0.353 nan 8.270 nan 0.000 0.441 245 P HA 0.049 nan 4.420 nan 0.000 0.269 245 P C 0.598 177.836 177.300 -0.103 0.000 1.209 245 P CA 0.092 63.121 63.100 -0.118 0.000 0.776 245 P CB 0.628 32.386 31.700 0.096 0.000 0.876 246 T N -0.087 114.423 114.554 -0.073 0.000 3.051 246 T HA 0.304 4.654 4.350 -0.000 0.000 0.255 246 T C 0.784 175.469 174.700 -0.025 0.000 1.085 246 T CA 0.638 62.700 62.100 -0.063 0.000 1.109 246 T CB 0.175 68.980 68.868 -0.104 0.000 0.921 246 T HN 0.668 nan 8.240 nan 0.000 0.488 247 A N 0.708 123.536 122.820 0.014 0.000 2.539 247 A HA 0.762 5.082 4.320 -0.000 0.000 0.296 247 A C -1.510 176.142 177.584 0.112 0.000 1.073 247 A CA -0.792 51.267 52.037 0.038 0.000 0.700 247 A CB 1.163 20.163 19.000 -0.000 0.000 1.296 247 A HN 0.289 nan 8.150 nan 0.000 0.405 248 I N 1.751 122.384 120.570 0.106 0.000 2.330 248 I HA 0.273 4.443 4.170 -0.000 0.000 0.289 248 I C 1.151 177.341 176.117 0.121 0.000 1.001 248 I CA -0.232 61.152 61.300 0.141 0.000 1.193 248 I CB 1.988 40.057 38.000 0.115 0.000 1.345 248 I HN 0.803 nan 8.210 nan 0.000 0.461 249 T N 4.412 119.066 114.554 0.168 0.000 2.732 249 T HA -0.082 4.268 4.350 -0.000 0.000 0.261 249 T C -0.234 174.621 174.700 0.259 0.000 1.040 249 T CA 1.228 63.436 62.100 0.181 0.000 1.145 249 T CB 0.040 69.028 68.868 0.199 0.000 0.866 249 T HN 0.646 nan 8.240 nan 0.000 0.427 250 W N 0.857 122.183 121.300 0.043 0.000 3.248 250 W HA 0.478 5.138 4.660 0.000 0.000 0.311 250 W C -2.570 173.953 176.519 0.006 0.000 1.258 250 W CA -1.340 56.018 57.345 0.023 0.000 1.191 250 W CB 0.947 30.423 29.460 0.026 0.000 1.389 250 W HN 0.119 nan 8.180 nan 0.000 0.561 251 L N 2.600 123.148 121.223 -1.124 0.000 2.540 251 L HA 1.116 5.456 4.340 -0.000 0.000 0.256 251 L C -0.541 175.129 176.870 -2.001 0.000 1.001 251 L CA -0.785 53.239 54.840 -1.361 0.000 0.843 251 L CB 1.640 43.310 42.059 -0.648 0.000 1.436 251 L HN 0.849 nan 8.230 nan 0.000 0.410 252 G N -0.332 107.574 108.800 -1.489 0.000 2.655 252 G HA2 0.474 4.434 3.960 -0.000 0.000 0.296 252 G HA3 0.474 4.434 3.960 -0.000 0.000 0.296 252 G C -2.157 172.535 174.900 -0.346 0.000 1.485 252 G CA -0.665 44.002 45.100 -0.723 0.000 0.869 252 G HN 0.547 nan 8.290 nan 0.000 0.540 253 Y N 1.176 121.431 120.300 -0.076 0.000 2.402 253 Y HA 0.374 4.924 4.550 -0.000 0.000 0.333 253 Y C 1.454 177.376 175.900 0.036 0.000 1.076 253 Y CA -0.114 57.972 58.100 -0.024 0.000 1.299 253 Y CB 0.749 39.187 38.460 -0.038 0.000 1.197 253 Y HN 0.309 nan 8.280 nan 0.000 0.517 254 L N 5.912 127.206 121.223 0.119 0.000 2.476 254 L HA 0.141 4.481 4.340 -0.000 0.000 0.255 254 L C -1.274 175.525 176.870 -0.117 0.000 1.218 254 L CA -1.751 53.083 54.840 -0.010 0.000 0.819 254 L CB 0.173 42.233 42.059 0.002 0.000 1.119 254 L HN 0.461 nan 8.230 nan 0.000 0.485 255 P HA -0.141 nan 4.420 nan 0.000 0.220 255 P C 0.478 177.707 177.300 -0.119 0.000 1.148 255 P CA 0.938 63.874 63.100 -0.274 0.000 0.803 255 P CB -0.035 31.413 31.700 -0.421 0.000 0.782 256 D N -2.009 118.338 120.400 -0.088 0.000 2.363 256 D HA 0.092 4.732 4.640 -0.000 0.000 0.226 256 D C 1.451 177.751 176.300 -0.000 0.000 1.020 256 D CA 0.713 54.690 54.000 -0.037 0.000 0.892 256 D CB -0.904 39.879 40.800 -0.030 0.000 0.900 256 D HN 0.215 nan 8.370 nan 0.000 0.531 257 G N -0.074 108.745 108.800 0.031 0.000 2.195 257 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.246 257 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.246 257 G C 0.301 175.308 174.900 0.179 0.000 0.984 257 G CA -0.189 44.966 45.100 0.092 0.000 0.633 257 G HN 0.429 nan 8.290 nan 0.000 0.525 258 R N -0.090 120.467 120.500 0.096 0.000 2.491 258 R HA 0.453 4.793 4.340 -0.000 0.000 0.283 258 R C 0.002 176.289 176.300 -0.021 0.000 1.072 258 R CA -0.485 55.645 56.100 0.050 0.000 1.048 258 R CB 0.971 31.283 30.300 0.019 0.000 0.983 258 R HN 0.245 nan 8.270 nan 0.000 0.450 259 L N 2.756 123.880 121.223 -0.165 0.000 2.278 259 L HA 0.338 4.678 4.340 -0.000 0.000 0.287 259 L C -0.488 176.230 176.870 -0.252 0.000 1.072 259 L CA 0.183 54.743 54.840 -0.466 0.000 0.819 259 L CB 1.027 42.700 42.059 -0.643 0.000 1.176 259 L HN 0.722 nan 8.230 nan 0.000 0.435 260 A N 5.136 127.843 122.820 -0.190 0.000 2.306 260 A HA 0.787 5.107 4.320 -0.000 0.000 0.314 260 A C -1.018 176.528 177.584 -0.062 0.000 1.164 260 A CA -0.501 51.540 52.037 0.007 0.000 0.822 260 A CB 1.095 20.244 19.000 0.249 0.000 1.130 260 A HN 0.566 nan 8.150 nan 0.000 0.496 261 V N 2.713 122.663 119.914 0.059 0.000 2.623 261 V HA 0.378 4.498 4.120 -0.000 0.000 0.304 261 V C -0.624 175.637 176.094 0.278 0.000 1.054 261 V CA -0.567 61.764 62.300 0.052 0.000 0.882 261 V CB 1.772 33.486 31.823 -0.180 0.000 1.002 261 V HN 0.666 nan 8.190 nan 0.000 0.424 262 V N 3.816 123.932 119.914 0.338 0.000 2.370 262 V HA 0.892 5.012 4.120 -0.000 0.000 0.283 262 V C 0.405 176.694 176.094 0.326 0.000 1.023 262 V CA -0.122 62.369 62.300 0.318 0.000 0.857 262 V CB 1.290 33.302 31.823 0.315 0.000 0.985 262 V HN 1.065 nan 8.190 nan 0.000 0.443 263 A N 5.911 128.961 122.820 0.383 0.000 2.430 263 A HA 1.062 5.382 4.320 -0.000 0.000 0.300 263 A C -0.448 177.376 177.584 0.400 0.000 1.124 263 A CA -0.936 51.346 52.037 0.408 0.000 0.766 263 A CB 2.023 21.370 19.000 0.578 0.000 1.328 263 A HN 0.950 nan 8.150 nan 0.000 0.424 264 R N -0.028 120.698 120.500 0.378 0.000 2.739 264 R HA 0.814 5.154 4.340 -0.000 0.000 0.271 264 R C -1.512 174.900 176.300 0.187 0.000 1.010 264 R CA -0.950 55.348 56.100 0.330 0.000 0.897 264 R CB 1.614 32.017 30.300 0.171 0.000 1.236 264 R HN 0.687 nan 8.270 nan 0.000 0.466 265 R N 0.912 121.487 120.500 0.125 0.000 2.621 265 R HA 0.255 4.594 4.340 -0.000 0.000 0.284 265 R C -0.959 175.350 176.300 0.015 0.000 0.998 265 R CA -0.986 55.089 56.100 -0.042 0.000 0.895 265 R CB 2.036 32.241 30.300 -0.158 0.000 1.195 265 R HN 0.914 nan 8.270 nan 0.000 0.450 266 E N 0.868 121.044 120.200 -0.039 0.000 2.440 266 E HA -0.274 4.076 4.350 -0.000 0.000 0.246 266 E C 0.451 177.216 176.600 0.275 0.000 1.165 266 E CA 0.751 57.275 56.400 0.206 0.000 0.726 266 E CB -1.104 28.770 29.700 0.291 0.000 1.271 266 E HN 1.150 nan 8.360 nan 0.000 0.397 267 G N -0.178 108.707 108.800 0.142 0.000 2.148 267 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.254 267 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.254 267 G C 0.154 175.108 174.900 0.090 0.000 0.981 267 G CA 0.734 45.922 45.100 0.147 0.000 0.670 267 G HN 0.313 nan 8.290 nan 0.000 0.528 268 R N -0.234 120.349 120.500 0.138 0.000 2.795 268 R HA 0.701 5.041 4.340 -0.000 0.000 0.275 268 R C 0.059 176.477 176.300 0.196 0.000 0.981 268 R CA -0.053 56.129 56.100 0.136 0.000 0.917 268 R CB 1.944 32.350 30.300 0.177 0.000 1.202 268 R HN 0.426 nan 8.270 nan 0.000 0.469 269 S N 0.307 116.124 115.700 0.195 0.000 2.689 269 S HA 0.900 5.369 4.470 -0.000 0.000 0.306 269 S C -0.779 173.978 174.600 0.261 0.000 1.104 269 S CA -0.829 57.533 58.200 0.270 0.000 0.973 269 S CB 2.203 65.563 63.200 0.267 0.000 1.121 269 S HN 0.694 nan 8.310 nan 0.000 0.523 270 A N 0.759 123.611 122.820 0.053 0.000 2.475 270 A HA 0.752 5.071 4.320 -0.000 0.000 0.301 270 A C -0.999 176.320 177.584 -0.442 0.000 1.059 270 A CA -0.793 51.044 52.037 -0.333 0.000 0.710 270 A CB 1.523 20.048 19.000 -0.791 0.000 1.288 270 A HN 0.898 nan 8.150 nan 0.000 0.408 271 V N 1.342 120.856 119.914 -0.666 0.000 2.472 271 V HA 0.651 4.771 4.120 -0.000 0.000 0.290 271 V C -1.025 174.592 176.094 -0.797 0.000 1.037 271 V CA -0.085 61.919 62.300 -0.493 0.000 0.908 271 V CB 0.836 32.426 31.823 -0.389 0.000 0.985 271 V HN 0.675 nan 8.190 nan 0.000 0.454 272 F N 4.143 124.066 119.950 -0.044 0.000 2.561 272 F HA 0.610 5.136 4.527 -0.000 0.000 0.313 272 F C -0.344 175.426 175.800 -0.051 0.000 1.126 272 F CA -0.768 57.209 58.000 -0.038 0.000 0.918 272 F CB 1.808 40.803 39.000 -0.008 0.000 1.199 272 F HN 0.139 nan 8.300 nan 0.000 0.444 273 I N 3.012 123.650 120.570 0.114 0.000 2.355 273 I HA 0.225 4.395 4.170 -0.000 0.000 0.288 273 I C -0.212 175.929 176.117 0.040 0.000 0.999 273 I CA -0.540 60.789 61.300 0.049 0.000 1.163 273 I CB 1.203 39.220 38.000 0.028 0.000 1.316 273 I HN 0.644 nan 8.210 nan 0.000 0.454 274 D N 5.594 125.985 120.400 -0.014 0.000 2.751 274 D HA -0.199 4.441 4.640 -0.000 0.000 0.233 274 D C 1.312 177.613 176.300 0.001 0.000 1.149 274 D CA 1.630 55.615 54.000 -0.026 0.000 0.682 274 D CB -0.668 40.130 40.800 -0.002 0.000 1.068 274 D HN 1.137 nan 8.370 nan 0.000 0.429 275 G N -0.252 108.554 108.800 0.011 0.000 2.268 275 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.240 275 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.240 275 G C 0.187 175.226 174.900 0.232 0.000 1.010 275 G CA 0.453 45.589 45.100 0.060 0.000 0.618 275 G HN 0.587 nan 8.290 nan 0.000 0.516 276 E N 0.666 120.994 120.200 0.214 0.000 2.283 276 E HA 0.569 4.919 4.350 -0.000 0.000 0.278 276 E C 0.576 177.318 176.600 0.236 0.000 1.027 276 E CA -0.964 55.562 56.400 0.210 0.000 0.843 276 E CB 0.481 30.241 29.700 0.099 0.000 1.062 276 E HN 0.220 nan 8.360 nan 0.000 0.401 277 R N 2.888 123.497 120.500 0.180 0.000 2.484 277 R HA 0.089 4.429 4.340 -0.000 0.000 0.293 277 R C -1.368 174.844 176.300 -0.146 0.000 1.023 277 R CA 0.110 56.141 56.100 -0.115 0.000 1.037 277 R CB 0.312 30.573 30.300 -0.065 0.000 0.951 277 R HN 0.255 nan 8.270 nan 0.000 0.418 278 V N 4.908 124.667 119.914 -0.259 0.000 2.370 278 V HA 0.212 4.332 4.120 -0.000 0.000 0.283 278 V C 0.067 176.018 176.094 -0.239 0.000 1.023 278 V CA -0.846 61.340 62.300 -0.189 0.000 0.857 278 V CB 1.388 33.117 31.823 -0.157 0.000 0.985 278 V HN 0.727 nan 8.190 nan 0.000 0.443 279 E N 3.082 123.184 120.200 -0.164 0.000 2.414 279 E HA 0.529 4.879 4.350 -0.000 0.000 0.263 279 E C -0.022 176.471 176.600 -0.179 0.000 1.000 279 E CA 0.492 56.801 56.400 -0.151 0.000 0.914 279 E CB 1.018 30.664 29.700 -0.089 0.000 0.948 279 E HN 0.938 nan 8.360 nan 0.000 0.444 280 A N 4.470 127.175 122.820 -0.191 0.000 2.572 280 A HA 0.641 4.961 4.320 -0.000 0.000 0.295 280 A C -2.608 174.935 177.584 -0.067 0.000 1.072 280 A CA -1.614 50.295 52.037 -0.212 0.000 0.691 280 A CB 0.991 19.645 19.000 -0.577 0.000 1.291 280 A HN 0.535 nan 8.150 nan 0.000 0.404 281 P HA 0.124 nan 4.420 nan 0.000 0.266 281 P C -0.407 176.885 177.300 -0.013 0.000 1.195 281 P CA -0.018 62.949 63.100 -0.222 0.000 0.768 281 P CB 0.372 31.625 31.700 -0.745 0.000 0.838 282 Q N 1.385 121.224 119.800 0.065 0.000 2.286 282 Q HA 0.323 4.662 4.340 -0.000 0.000 0.290 282 Q C 0.642 176.803 176.000 0.268 0.000 1.049 282 Q CA 1.205 57.106 55.803 0.164 0.000 0.923 282 Q CB -0.153 28.663 28.738 0.131 0.000 1.183 282 Q HN 0.784 nan 8.270 nan 0.000 0.383 283 G N 3.445 112.331 108.800 0.144 0.000 2.233 283 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.162 283 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.162 283 G C -1.303 173.493 174.900 -0.174 0.000 1.327 283 G CA -0.643 44.462 45.100 0.008 0.000 1.187 283 G HN 0.646 nan 8.290 nan 0.000 0.479 284 N N 0.286 118.784 118.700 -0.337 0.000 2.265 284 N HA 0.678 5.417 4.740 -0.000 0.000 0.300 284 N C -1.384 173.803 175.510 -0.537 0.000 1.148 284 N CA -0.383 52.444 53.050 -0.371 0.000 0.772 284 N CB 1.820 40.210 38.487 -0.162 0.000 1.434 284 N HN 0.616 nan 8.380 nan 0.000 0.481 285 H N -1.167 117.934 119.070 0.052 0.000 2.834 285 H HA 0.626 5.181 4.556 -0.000 0.000 0.369 285 H C 0.524 175.845 175.328 -0.012 0.000 1.174 285 H CA -0.811 55.254 56.048 0.028 0.000 1.165 285 H CB 1.655 31.432 29.762 0.026 0.000 1.820 285 H HN 0.615 nan 8.280 nan 0.000 0.558 286 G N -0.380 108.445 108.800 0.042 0.000 3.099 286 G HA2 0.274 4.234 3.960 -0.000 0.000 0.151 286 G HA3 0.274 4.234 3.960 -0.000 0.000 0.151 286 G C -0.517 174.204 174.900 -0.299 0.000 1.265 286 G CA -1.124 43.919 45.100 -0.096 0.000 0.981 286 G HN 0.749 nan 8.290 nan 0.000 0.601 287 R N -1.097 119.000 120.500 -0.670 0.000 2.784 287 R HA 0.379 4.719 4.340 -0.000 0.000 0.266 287 R C -1.185 174.588 176.300 -0.877 0.000 1.044 287 R CA -0.221 54.980 56.100 -1.498 0.000 1.151 287 R CB 0.639 29.959 30.300 -1.633 0.000 1.037 287 R HN 0.123 nan 8.270 nan 0.000 0.478 288 V N 3.589 122.921 119.914 -0.969 0.000 2.448 288 V HA 0.366 4.486 4.120 -0.000 0.000 0.295 288 V C 0.002 176.050 176.094 -0.076 0.000 1.025 288 V CA -0.713 61.427 62.300 -0.267 0.000 0.859 288 V CB 1.446 33.283 31.823 0.023 0.000 0.988 288 V HN 0.722 nan 8.190 nan 0.000 0.431 289 V N 3.421 123.341 119.914 0.010 0.000 2.815 289 V HA 0.648 4.768 4.120 -0.000 0.000 0.314 289 V C -0.546 175.691 176.094 0.238 0.000 1.064 289 V CA -0.954 61.459 62.300 0.188 0.000 0.952 289 V CB 2.179 34.056 31.823 0.091 0.000 1.020 289 V HN 0.688 nan 8.190 nan 0.000 0.439 290 L N 3.494 124.917 121.223 0.332 0.000 2.276 290 L HA 0.572 4.912 4.340 -0.000 0.000 0.286 290 L C -1.508 175.593 176.870 0.385 0.000 1.061 290 L CA -0.126 54.866 54.840 0.254 0.000 0.807 290 L CB 1.277 43.404 42.059 0.113 0.000 1.177 290 L HN 1.072 nan 8.230 nan 0.000 0.429 291 W N 6.787 128.145 121.300 0.096 0.000 3.089 291 W HA 0.387 5.048 4.660 0.000 0.000 0.333 291 W C -0.055 176.495 176.519 0.051 0.000 1.053 291 W CA -0.757 56.640 57.345 0.087 0.000 1.257 291 W CB 0.612 30.121 29.460 0.081 0.000 1.281 291 W HN 0.687 nan 8.180 nan 0.000 0.427 292 R N 4.418 124.688 120.500 -0.382 0.000 3.416 292 R HA -0.154 4.186 4.340 -0.000 0.000 0.263 292 R C 1.210 177.379 176.300 -0.219 0.000 1.053 292 R CA 1.470 57.303 56.100 -0.445 0.000 0.705 292 R CB -1.503 28.291 30.300 -0.843 0.000 1.124 292 R HN 1.520 nan 8.270 nan 0.000 0.444 293 G N -2.162 106.580 108.800 -0.096 0.000 2.187 293 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.261 293 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.261 293 G C 0.045 174.936 174.900 -0.015 0.000 1.000 293 G CA 1.069 46.141 45.100 -0.046 0.000 0.718 293 G HN 0.830 nan 8.290 nan 0.000 0.519 294 K N -0.172 120.242 120.400 0.023 0.000 2.371 294 K HA 0.862 5.182 4.320 -0.000 0.000 0.251 294 K C 0.015 176.692 176.600 0.129 0.000 0.934 294 K CA -0.670 55.658 56.287 0.069 0.000 0.798 294 K CB 1.213 33.766 32.500 0.090 0.000 1.204 294 K HN 0.641 nan 8.250 nan 0.000 0.427 295 L N 1.650 122.925 121.223 0.086 0.000 2.349 295 L HA 0.582 4.922 4.340 -0.000 0.000 0.275 295 L C -0.322 176.597 176.870 0.080 0.000 1.115 295 L CA -1.059 53.829 54.840 0.079 0.000 0.820 295 L CB 1.392 43.467 42.059 0.028 0.000 1.135 295 L HN 0.441 nan 8.230 nan 0.000 0.445 296 V N 2.116 122.074 119.914 0.073 0.000 2.638 296 V HA 0.597 4.717 4.120 -0.000 0.000 0.306 296 V C -0.073 175.990 176.094 -0.052 0.000 1.052 296 V CA -0.385 61.926 62.300 0.019 0.000 0.885 296 V CB 2.119 33.955 31.823 0.021 0.000 0.999 296 V HN 0.869 nan 8.190 nan 0.000 0.424 297 T N 1.958 116.471 114.554 -0.068 0.000 2.804 297 T HA 0.605 4.955 4.350 -0.000 0.000 0.290 297 T C -0.297 174.368 174.700 -0.058 0.000 1.099 297 T CA -0.032 62.017 62.100 -0.086 0.000 1.011 297 T CB 1.977 70.809 68.868 -0.060 0.000 1.291 297 T HN 0.928 nan 8.240 nan 0.000 0.523 298 S N 1.240 116.913 115.700 -0.045 0.000 2.585 298 S HA 0.517 4.987 4.470 -0.000 0.000 0.277 298 S C -0.610 174.055 174.600 0.108 0.000 1.241 298 S CA -0.639 57.556 58.200 -0.007 0.000 1.041 298 S CB 0.738 63.909 63.200 -0.048 0.000 0.987 298 S HN 0.851 nan 8.310 nan 0.000 0.512 299 H N 0.304 119.365 119.070 -0.014 0.000 2.717 299 H HA 0.602 5.158 4.556 -0.000 0.000 0.366 299 H C -1.384 173.903 175.328 -0.068 0.000 1.132 299 H CA -0.358 55.672 56.048 -0.031 0.000 1.180 299 H CB 2.201 31.980 29.762 0.028 0.000 1.678 299 H HN 0.798 nan 8.280 nan 0.000 0.537 300 T N 2.145 116.223 114.554 -0.793 0.000 2.868 300 T HA 0.492 4.842 4.350 -0.000 0.000 0.306 300 T C -1.377 172.931 174.700 -0.652 0.000 1.224 300 T CA -0.243 61.467 62.100 -0.650 0.000 1.012 300 T CB 1.342 70.069 68.868 -0.235 0.000 1.221 300 T HN 0.812 nan 8.240 nan 0.000 0.499 301 S N 2.306 117.817 115.700 -0.314 0.000 2.671 301 S HA 0.515 4.985 4.470 -0.000 0.000 0.277 301 S C 1.009 175.651 174.600 0.071 0.000 1.165 301 S CA -0.933 57.204 58.200 -0.105 0.000 0.822 301 S CB 0.726 63.916 63.200 -0.018 0.000 1.150 301 S HN 0.645 nan 8.310 nan 0.000 0.479 302 L N 1.462 122.711 121.223 0.042 0.000 2.129 302 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 302 L C 2.590 179.595 176.870 0.225 0.000 1.087 302 L CA 1.829 56.704 54.840 0.058 0.000 0.757 302 L CB -0.469 41.597 42.059 0.012 0.000 0.896 302 L HN 0.942 nan 8.230 nan 0.000 0.434 303 S N -3.483 112.367 115.700 0.250 0.000 2.535 303 S HA 0.072 4.541 4.470 -0.000 0.000 0.214 303 S C 0.654 175.411 174.600 0.261 0.000 0.980 303 S CA -0.329 58.057 58.200 0.310 0.000 0.907 303 S CB 0.178 63.487 63.200 0.182 0.000 0.790 303 S HN 0.201 nan 8.310 nan 0.000 0.510 304 T N 4.356 119.020 114.554 0.184 0.000 2.864 304 T HA 0.497 4.846 4.350 -0.000 0.000 0.299 304 T C -3.067 171.471 174.700 -0.270 0.000 1.011 304 T CA -1.483 60.566 62.100 -0.085 0.000 0.975 304 T CB 1.683 70.514 68.868 -0.060 0.000 0.962 304 T HN 0.015 nan 8.240 nan 0.000 0.448 305 P HA 0.133 nan 4.420 nan 0.000 0.266 305 P C -2.536 174.526 177.300 -0.396 0.000 1.193 305 P CA -1.090 61.430 63.100 -0.966 0.000 0.770 305 P CB -0.458 30.614 31.700 -1.046 0.000 0.836 306 P HA 0.009 nan 4.420 nan 0.000 0.262 306 P C -0.287 176.979 177.300 -0.057 0.000 1.182 306 P CA 0.742 63.764 63.100 -0.130 0.000 0.761 306 P CB 0.252 31.906 31.700 -0.077 0.000 0.795 307 R N 2.280 122.776 120.500 -0.007 0.000 2.764 307 R HA 0.681 5.021 4.340 -0.000 0.000 0.270 307 R C -1.146 175.143 176.300 -0.019 0.000 1.014 307 R CA -1.045 55.083 56.100 0.047 0.000 0.904 307 R CB 1.022 31.332 30.300 0.016 0.000 1.236 307 R HN 0.073 nan 8.270 nan 0.000 0.466 308 I N 2.404 122.887 120.570 -0.145 0.000 2.353 308 I HA 0.438 4.608 4.170 -0.000 0.000 0.293 308 I C 0.375 176.391 176.117 -0.169 0.000 0.992 308 I CA -0.784 60.391 61.300 -0.209 0.000 1.268 308 I CB 1.187 38.941 38.000 -0.409 0.000 1.387 308 I HN 0.646 nan 8.210 nan 0.000 0.478 309 V N 2.635 122.491 119.914 -0.097 0.000 3.078 309 V HA 0.747 4.867 4.120 -0.000 0.000 0.311 309 V C -0.409 175.661 176.094 -0.040 0.000 1.138 309 V CA -0.659 61.605 62.300 -0.061 0.000 1.007 309 V CB 2.006 33.813 31.823 -0.027 0.000 1.045 309 V HN 0.744 nan 8.190 nan 0.000 0.432 310 S N 2.210 117.904 115.700 -0.010 0.000 2.525 310 S HA 0.806 5.276 4.470 -0.000 0.000 0.290 310 S C -0.681 173.914 174.600 -0.008 0.000 1.152 310 S CA -0.687 57.529 58.200 0.027 0.000 1.072 310 S CB 0.579 63.826 63.200 0.078 0.000 1.027 310 S HN 0.769 nan 8.310 nan 0.000 0.500 311 L N 5.385 126.601 121.223 -0.012 0.000 2.334 311 L HA 0.531 4.871 4.340 -0.000 0.000 0.276 311 L C -1.607 175.246 176.870 -0.029 0.000 1.014 311 L CA -1.940 52.871 54.840 -0.048 0.000 0.815 311 L CB 2.030 44.038 42.059 -0.085 0.000 1.268 311 L HN 0.561 nan 8.230 nan 0.000 0.428 312 P HA 0.030 nan 4.420 nan 0.000 0.261 312 P C 1.067 178.335 177.300 -0.054 0.000 1.268 312 P CA 0.124 63.187 63.100 -0.062 0.000 0.833 312 P CB 0.506 32.172 31.700 -0.058 0.000 1.231 313 S N -0.251 115.427 115.700 -0.036 0.000 2.419 313 S HA 0.045 4.514 4.470 -0.000 0.000 0.233 313 S C 1.876 176.450 174.600 -0.043 0.000 1.016 313 S CA 1.065 59.246 58.200 -0.031 0.000 0.974 313 S CB -1.734 61.457 63.200 -0.015 0.000 0.786 313 S HN 0.295 nan 8.310 nan 0.000 0.492 314 G N 0.397 109.164 108.800 -0.056 0.000 2.153 314 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.252 314 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.252 314 G C 0.036 174.903 174.900 -0.055 0.000 0.994 314 G CA 0.593 45.647 45.100 -0.077 0.000 0.698 314 G HN 1.226 nan 8.290 nan 0.000 0.521 315 E N 1.351 121.533 120.200 -0.029 0.000 2.344 315 E HA 0.562 4.912 4.350 -0.000 0.000 0.270 315 E C -1.593 174.993 176.600 -0.022 0.000 1.021 315 E CA -0.981 55.409 56.400 -0.016 0.000 0.887 315 E CB -0.004 29.697 29.700 0.002 0.000 0.997 315 E HN 0.392 nan 8.360 nan 0.000 0.429 316 P HA 0.189 nan 4.420 nan 0.000 0.276 316 P C 0.228 177.478 177.300 -0.084 0.000 1.235 316 P CA -0.131 62.932 63.100 -0.062 0.000 0.772 316 P CB 1.024 32.693 31.700 -0.053 0.000 0.871 317 L N 2.435 123.554 121.223 -0.173 0.000 2.200 317 L HA 0.212 4.551 4.340 -0.000 0.000 0.200 317 L C 0.930 177.493 176.870 -0.511 0.000 1.072 317 L CA 0.833 55.506 54.840 -0.279 0.000 0.787 317 L CB -0.140 41.670 42.059 -0.415 0.000 0.957 317 L HN 0.276 nan 8.230 nan 0.000 0.459 318 L N 0.742 121.610 121.223 -0.592 0.000 2.441 318 L HA 0.344 4.683 4.340 -0.000 0.000 0.270 318 L C -0.886 175.725 176.870 -0.431 0.000 0.973 318 L CA -0.211 54.193 54.840 -0.728 0.000 0.842 318 L CB 2.002 43.248 42.059 -1.355 0.000 1.239 318 L HN 0.120 nan 8.230 nan 0.000 0.406 319 E N 2.658 122.758 120.200 -0.166 0.000 2.331 319 E HA 0.656 5.006 4.350 -0.000 0.000 0.275 319 E C -0.804 175.853 176.600 0.095 0.000 0.895 319 E CA -0.965 55.457 56.400 0.036 0.000 0.753 319 E CB 2.155 31.839 29.700 -0.027 0.000 1.216 319 E HN 0.467 nan 8.360 nan 0.000 0.434 320 G N 1.032 109.882 108.800 0.084 0.000 2.444 320 G HA2 0.536 4.496 3.960 -0.000 0.000 0.268 320 G HA3 0.536 4.496 3.960 -0.000 0.000 0.268 320 G C -0.159 174.690 174.900 -0.085 0.000 1.203 320 G CA -0.355 44.729 45.100 -0.027 0.000 0.835 320 G HN 0.547 nan 8.290 nan 0.000 0.543 321 G N 0.339 109.095 108.800 -0.073 0.000 2.416 321 G HA2 0.527 4.487 3.960 -0.000 0.000 0.324 321 G HA3 0.527 4.487 3.960 -0.000 0.000 0.324 321 G C -0.317 174.534 174.900 -0.082 0.000 1.194 321 G CA -0.704 44.350 45.100 -0.076 0.000 0.922 321 G HN 0.606 nan 8.290 nan 0.000 0.467 322 L N 2.760 123.927 121.223 -0.094 0.000 2.371 322 L HA 0.269 4.609 4.340 -0.000 0.000 0.272 322 L C -1.673 175.185 176.870 -0.020 0.000 1.124 322 L CA -1.535 53.268 54.840 -0.062 0.000 0.816 322 L CB 1.311 43.338 42.059 -0.052 0.000 1.129 322 L HN 0.306 nan 8.230 nan 0.000 0.448 323 P HA -0.080 nan 4.420 nan 0.000 0.266 323 P C 0.292 177.603 177.300 0.018 0.000 1.186 323 P CA 0.056 63.161 63.100 0.008 0.000 0.767 323 P CB 0.620 32.328 31.700 0.013 0.000 0.820 324 E N 1.964 122.174 120.200 0.018 0.000 2.110 324 E HA -0.228 4.121 4.350 -0.000 0.000 0.193 324 E C 1.388 178.007 176.600 0.032 0.000 0.988 324 E CA 1.694 58.108 56.400 0.024 0.000 0.804 324 E CB -0.323 29.389 29.700 0.020 0.000 0.745 324 E HN 0.527 nan 8.360 nan 0.000 0.458 325 D N 0.247 120.664 120.400 0.030 0.000 2.144 325 D HA -0.207 4.433 4.640 -0.000 0.000 0.199 325 D C 1.972 178.299 176.300 0.045 0.000 0.984 325 D CA 0.924 54.944 54.000 0.033 0.000 0.834 325 D CB -0.461 40.355 40.800 0.027 0.000 0.955 325 D HN 0.349 nan 8.370 nan 0.000 0.465 326 L N -0.339 120.915 121.223 0.052 0.000 2.179 326 L HA 0.044 4.384 4.340 -0.000 0.000 0.208 326 L C 2.999 179.928 176.870 0.098 0.000 1.096 326 L CA 0.450 55.335 54.840 0.075 0.000 0.779 326 L CB -0.210 41.899 42.059 0.084 0.000 0.922 326 L HN -0.093 nan 8.230 nan 0.000 0.443 327 R N -0.594 119.955 120.500 0.083 0.000 2.081 327 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 327 R C 2.654 179.006 176.300 0.087 0.000 1.131 327 R CA 1.263 57.419 56.100 0.093 0.000 0.960 327 R CB -0.172 30.167 30.300 0.065 0.000 0.856 327 R HN 0.108 nan 8.270 nan 0.000 0.436 328 R N 0.113 120.653 120.500 0.067 0.000 2.148 328 R HA -0.064 4.276 4.340 -0.000 0.000 0.227 328 R C 2.408 178.746 176.300 0.064 0.000 1.103 328 R CA 1.361 57.498 56.100 0.060 0.000 0.983 328 R CB -0.868 29.460 30.300 0.046 0.000 0.874 328 R HN 0.588 nan 8.270 nan 0.000 0.451 329 S N 0.100 115.839 115.700 0.066 0.000 2.469 329 S HA 0.009 4.479 4.470 -0.000 0.000 0.238 329 S C 0.908 175.554 174.600 0.076 0.000 0.998 329 S CA 0.807 59.045 58.200 0.062 0.000 0.957 329 S CB -0.371 62.866 63.200 0.061 0.000 0.764 329 S HN 0.441 nan 8.310 nan 0.000 0.514 330 I N 1.820 122.445 120.570 0.091 0.000 2.307 330 I HA 0.347 4.516 4.170 -0.000 0.000 0.287 330 I C 1.308 177.487 176.117 0.102 0.000 1.054 330 I CA -0.386 60.975 61.300 0.102 0.000 1.218 330 I CB 1.155 39.222 38.000 0.113 0.000 1.398 330 I HN 0.228 nan 8.210 nan 0.000 0.475 331 A N 5.145 128.029 122.820 0.108 0.000 1.929 331 A HA 0.377 4.696 4.320 -0.000 0.000 0.216 331 A C 1.129 178.773 177.584 0.099 0.000 1.176 331 A CA 1.225 53.322 52.037 0.101 0.000 0.628 331 A CB -0.120 18.947 19.000 0.112 0.000 0.816 331 A HN 0.777 nan 8.150 nan 0.000 0.444 332 G N -2.329 106.537 108.800 0.110 0.000 2.368 332 G HA2 0.508 4.468 3.960 -0.000 0.000 0.293 332 G HA3 0.508 4.468 3.960 -0.000 0.000 0.293 332 G C -0.833 174.140 174.900 0.121 0.000 1.467 332 G CA 0.216 45.380 45.100 0.107 0.000 0.804 332 G HN 1.107 nan 8.290 nan 0.000 0.535 333 S N -0.990 114.786 115.700 0.126 0.000 2.595 333 S HA 0.940 5.410 4.470 -0.000 0.000 0.281 333 S C -0.494 174.183 174.600 0.128 0.000 1.117 333 S CA -0.582 57.710 58.200 0.154 0.000 0.873 333 S CB 2.592 65.910 63.200 0.198 0.000 1.108 333 S HN 1.638 nan 8.310 nan 0.000 0.477 334 R N 0.219 120.775 120.500 0.092 0.000 2.664 334 R HA 0.693 5.033 4.340 -0.000 0.000 0.266 334 R C -2.267 173.858 176.300 -0.293 0.000 1.046 334 R CA -1.090 54.990 56.100 -0.033 0.000 0.885 334 R CB 0.803 31.105 30.300 0.004 0.000 1.254 334 R HN 0.601 nan 8.270 nan 0.000 0.465 335 L N 2.635 123.583 121.223 -0.458 0.000 2.296 335 L HA 0.640 4.980 4.340 -0.000 0.000 0.286 335 L C -0.715 175.863 176.870 -0.487 0.000 1.023 335 L CA -0.467 53.911 54.840 -0.769 0.000 0.812 335 L CB 1.763 43.332 42.059 -0.815 0.000 1.223 335 L HN 0.641 nan 8.230 nan 0.000 0.421 336 V N 1.588 121.134 119.914 -0.613 0.000 3.046 336 V HA 0.702 4.822 4.120 -0.000 0.000 0.316 336 V C -1.525 174.118 176.094 -0.752 0.000 1.104 336 V CA -0.799 61.191 62.300 -0.515 0.000 1.006 336 V CB 1.883 33.347 31.823 -0.600 0.000 1.058 336 V HN 0.821 nan 8.190 nan 0.000 0.440 337 W N 1.482 122.551 121.300 -0.385 0.000 2.391 337 W HA 0.714 5.374 4.660 0.000 0.000 0.312 337 W C -0.669 175.650 176.519 -0.334 0.000 1.003 337 W CA -0.612 56.533 57.345 -0.333 0.000 1.375 337 W CB 1.815 31.126 29.460 -0.248 0.000 1.253 337 W HN 0.506 nan 8.180 nan 0.000 0.416 338 V N 2.889 122.668 119.914 -0.224 0.000 2.406 338 V HA 0.124 4.244 4.120 -0.000 0.000 0.272 338 V C 0.471 176.557 176.094 -0.014 0.000 1.043 338 V CA -0.955 61.229 62.300 -0.193 0.000 0.915 338 V CB 1.179 32.860 31.823 -0.237 0.000 0.988 338 V HN 0.443 nan 8.190 nan 0.000 0.466 339 E N 3.187 123.410 120.200 0.039 0.000 2.376 339 E HA 0.244 4.593 4.350 -0.000 0.000 0.266 339 E C 0.059 176.717 176.600 0.097 0.000 1.009 339 E CA 0.045 56.481 56.400 0.059 0.000 0.902 339 E CB 0.820 30.555 29.700 0.058 0.000 0.972 339 E HN 0.735 nan 8.360 nan 0.000 0.439 340 S N 2.533 118.294 115.700 0.102 0.000 2.713 340 S HA 0.239 4.709 4.470 -0.000 0.000 0.296 340 S C 0.750 175.419 174.600 0.115 0.000 1.114 340 S CA -0.538 57.764 58.200 0.170 0.000 0.997 340 S CB 0.223 63.578 63.200 0.259 0.000 1.249 340 S HN 0.578 nan 8.310 nan 0.000 0.534 341 F N 1.210 121.219 119.950 0.099 0.000 2.293 341 F HA 0.124 4.651 4.527 -0.000 0.000 0.300 341 F C 1.323 177.165 175.800 0.071 0.000 1.086 341 F CA 1.297 59.341 58.000 0.073 0.000 1.375 341 F CB -0.352 38.685 39.000 0.061 0.000 1.045 341 F HN 0.474 nan 8.300 nan 0.000 0.516 342 D N -0.840 119.045 120.400 -0.858 0.000 2.402 342 D HA 0.224 4.864 4.640 -0.000 0.000 0.216 342 D C 1.751 177.904 176.300 -0.245 0.000 1.128 342 D CA 0.236 53.891 54.000 -0.575 0.000 0.833 342 D CB -0.012 40.307 40.800 -0.801 0.000 0.971 342 D HN 0.464 nan 8.370 nan 0.000 0.503 343 G N 0.035 108.746 108.800 -0.149 0.000 2.179 343 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 343 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 343 G C 0.401 175.271 174.900 -0.050 0.000 0.977 343 G CA 0.314 45.374 45.100 -0.066 0.000 0.641 343 G HN 0.427 nan 8.290 nan 0.000 0.533 344 S N 0.863 116.536 115.700 -0.044 0.000 2.572 344 S HA 0.516 4.986 4.470 -0.000 0.000 0.279 344 S C 0.636 175.229 174.600 -0.013 0.000 1.341 344 S CA -0.241 57.964 58.200 0.009 0.000 1.043 344 S CB 0.872 64.207 63.200 0.226 0.000 0.887 344 S HN 0.386 nan 8.310 nan 0.000 0.516 345 R N 1.986 122.420 120.500 -0.109 0.000 2.229 345 R HA 0.335 4.675 4.340 -0.000 0.000 0.332 345 R C -1.145 175.058 176.300 -0.161 0.000 0.989 345 R CA -0.428 55.649 56.100 -0.037 0.000 0.842 345 R CB 0.962 31.297 30.300 0.057 0.000 1.119 345 R HN 0.368 nan 8.270 nan 0.000 0.456 346 V N 6.410 126.266 119.914 -0.097 0.000 2.368 346 V HA 0.201 4.320 4.120 -0.000 0.000 0.266 346 V C -1.932 173.916 176.094 -0.411 0.000 1.045 346 V CA -1.917 60.302 62.300 -0.134 0.000 0.899 346 V CB 1.194 33.079 31.823 0.104 0.000 1.006 346 V HN 0.524 nan 8.190 nan 0.000 0.470 347 P HA 0.248 nan 4.420 nan 0.000 0.276 347 P C -0.353 176.530 177.300 -0.694 0.000 1.253 347 P CA 0.086 62.423 63.100 -1.273 0.000 0.766 347 P CB 0.494 31.054 31.700 -1.900 0.000 0.845 348 T N 3.996 118.155 114.554 -0.659 0.000 2.890 348 T HA 0.295 4.644 4.350 -0.000 0.000 0.295 348 T C -0.596 173.891 174.700 -0.354 0.000 0.993 348 T CA -0.208 61.678 62.100 -0.358 0.000 0.979 348 T CB 0.151 68.794 68.868 -0.376 0.000 0.967 348 T HN 0.117 nan 8.240 nan 0.000 0.441 349 Y N 1.986 122.191 120.300 -0.159 0.000 2.359 349 Y HA 0.441 4.991 4.550 0.000 0.000 0.330 349 Y C 0.328 176.213 175.900 -0.025 0.000 1.143 349 Y CA -0.225 57.823 58.100 -0.087 0.000 1.318 349 Y CB 0.870 39.307 38.460 -0.039 0.000 1.234 349 Y HN 0.305 nan 8.280 nan 0.000 0.522 350 V N 5.878 125.860 119.914 0.114 0.000 2.407 350 V HA 0.235 4.355 4.120 -0.000 0.000 0.291 350 V C -0.547 175.652 176.094 0.176 0.000 1.018 350 V CA -1.018 61.375 62.300 0.154 0.000 0.842 350 V CB 1.666 33.586 31.823 0.161 0.000 0.996 350 V HN 0.568 nan 8.190 nan 0.000 0.426 351 L N 4.539 125.871 121.223 0.182 0.000 2.255 351 L HA 0.484 4.823 4.340 -0.000 0.000 0.289 351 L C 0.430 177.427 176.870 0.212 0.000 1.046 351 L CA -0.066 54.873 54.840 0.166 0.000 0.816 351 L CB 1.283 43.416 42.059 0.122 0.000 1.197 351 L HN 0.776 nan 8.230 nan 0.000 0.427 352 E N 3.050 123.370 120.200 0.201 0.000 2.259 352 E HA 0.049 4.399 4.350 -0.000 0.000 0.281 352 E C -0.527 176.252 176.600 0.297 0.000 1.037 352 E CA -0.188 56.379 56.400 0.277 0.000 0.854 352 E CB 1.199 30.986 29.700 0.145 0.000 1.051 352 E HN 0.500 nan 8.360 nan 0.000 0.409 353 S N 2.757 118.698 115.700 0.401 0.000 2.499 353 S HA 0.231 4.701 4.470 -0.000 0.000 0.275 353 S C 0.983 175.657 174.600 0.122 0.000 1.257 353 S CA -0.071 58.214 58.200 0.142 0.000 1.050 353 S CB 0.890 64.063 63.200 -0.046 0.000 0.937 353 S HN 0.670 nan 8.310 nan 0.000 0.490 354 G N 4.083 112.937 108.800 0.090 0.000 2.882 354 G HA2 0.022 3.982 3.960 -0.000 0.000 0.206 354 G HA3 0.022 3.982 3.960 -0.000 0.000 0.206 354 G C 0.950 175.867 174.900 0.028 0.000 1.155 354 G CA -0.155 44.985 45.100 0.068 0.000 0.800 354 G HN 0.751 nan 8.290 nan 0.000 0.524 355 R N -0.477 120.018 120.500 -0.008 0.000 2.577 355 R HA 0.482 4.822 4.340 -0.000 0.000 0.344 355 R C 0.110 176.343 176.300 -0.111 0.000 1.037 355 R CA 0.046 56.118 56.100 -0.046 0.000 1.102 355 R CB 0.993 31.268 30.300 -0.043 0.000 1.313 355 R HN 0.230 nan 8.270 nan 0.000 0.561 356 A N 1.729 124.469 122.820 -0.134 0.000 2.498 356 A HA 0.693 5.013 4.320 -0.000 0.000 0.298 356 A C -2.606 174.957 177.584 -0.035 0.000 1.075 356 A CA -1.559 50.358 52.037 -0.200 0.000 0.714 356 A CB 1.547 20.237 19.000 -0.516 0.000 1.299 356 A HN -0.124 nan 8.150 nan 0.000 0.407 357 P HA 0.528 nan 4.420 nan 0.000 0.279 357 P C -0.631 176.794 177.300 0.207 0.000 1.282 357 P CA -0.095 63.052 63.100 0.078 0.000 0.788 357 P CB 0.759 32.478 31.700 0.031 0.000 1.139 358 T N 1.197 115.829 114.554 0.131 0.000 2.890 358 T HA 0.400 4.750 4.350 -0.000 0.000 0.295 358 T C -2.303 172.414 174.700 0.028 0.000 0.993 358 T CA -0.888 61.266 62.100 0.090 0.000 0.979 358 T CB 0.760 69.635 68.868 0.012 0.000 0.967 358 T HN 0.393 nan 8.240 nan 0.000 0.441 359 P HA 0.580 nan 4.420 nan 0.000 0.272 359 P C -0.117 177.247 177.300 0.106 0.000 1.223 359 P CA -0.214 62.908 63.100 0.037 0.000 0.784 359 P CB 0.977 32.676 31.700 -0.003 0.000 0.923 360 G N 0.622 109.541 108.800 0.198 0.000 2.708 360 G HA2 0.548 4.508 3.960 -0.000 0.000 0.289 360 G HA3 0.548 4.508 3.960 -0.000 0.000 0.289 360 G C -3.276 171.728 174.900 0.172 0.000 1.416 360 G CA -1.439 43.754 45.100 0.155 0.000 0.829 360 G HN 0.234 nan 8.290 nan 0.000 0.480 361 P HA 0.287 nan 4.420 nan 0.000 0.263 361 P C -0.443 177.082 177.300 0.375 0.000 1.195 361 P CA 0.418 63.651 63.100 0.221 0.000 0.762 361 P CB 0.937 32.656 31.700 0.031 0.000 0.799 362 T N 2.739 117.585 114.554 0.486 0.000 2.881 362 T HA 0.376 4.725 4.350 -0.000 0.000 0.290 362 T C -0.547 174.431 174.700 0.464 0.000 1.000 362 T CA -0.420 61.954 62.100 0.456 0.000 0.978 362 T CB 1.107 70.181 68.868 0.344 0.000 0.997 362 T HN -0.052 nan 8.240 nan 0.000 0.443 363 V N 3.687 123.824 119.914 0.371 0.000 2.398 363 V HA 0.354 4.473 4.120 -0.000 0.000 0.286 363 V C 0.076 176.294 176.094 0.208 0.000 1.026 363 V CA -0.792 61.654 62.300 0.243 0.000 0.868 363 V CB 1.774 33.627 31.823 0.050 0.000 0.982 363 V HN 0.737 nan 8.190 nan 0.000 0.443 364 V N 6.634 126.661 119.914 0.187 0.000 2.370 364 V HA 0.195 4.315 4.120 -0.000 0.000 0.257 364 V C -0.025 176.100 176.094 0.050 0.000 1.064 364 V CA -0.154 62.242 62.300 0.159 0.000 0.975 364 V CB 0.919 32.885 31.823 0.238 0.000 1.067 364 V HN 0.615 nan 8.190 nan 0.000 0.485 365 L N 7.939 129.212 121.223 0.083 0.000 2.259 365 L HA 0.486 4.826 4.340 -0.000 0.000 0.288 365 L C -0.149 176.766 176.870 0.076 0.000 1.051 365 L CA 0.325 55.196 54.840 0.052 0.000 0.824 365 L CB 1.229 43.327 42.059 0.064 0.000 1.206 365 L HN 0.405 nan 8.230 nan 0.000 0.429 366 V N 5.059 124.998 119.914 0.042 0.000 2.407 366 V HA 0.301 4.421 4.120 -0.000 0.000 0.278 366 V C 0.028 176.203 176.094 0.135 0.000 1.037 366 V CA -0.733 61.621 62.300 0.090 0.000 0.900 366 V CB 0.751 32.575 31.823 0.001 0.000 0.983 366 V HN 0.921 nan 8.190 nan 0.000 0.459 367 H N 2.600 121.835 119.070 0.275 0.000 2.603 367 H HA 0.680 5.236 4.556 -0.000 0.000 0.370 367 H C 0.534 176.041 175.328 0.299 0.000 1.225 367 H CA 0.083 56.242 56.048 0.186 0.000 1.410 367 H CB 0.627 30.448 29.762 0.098 0.000 1.495 367 H HN 0.688 nan 8.280 nan 0.000 0.602 368 G N -0.872 108.177 108.800 0.414 0.000 2.535 368 G HA2 0.487 4.447 3.960 -0.000 0.000 0.282 368 G HA3 0.487 4.447 3.960 -0.000 0.000 0.282 368 G C 0.472 175.641 174.900 0.448 0.000 1.350 368 G CA -0.369 44.970 45.100 0.399 0.000 1.039 368 G HN 1.277 nan 8.290 nan 0.000 0.509 369 G N -0.812 108.164 108.800 0.293 0.000 1.829 369 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.214 369 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.214 369 G C -1.275 173.604 174.900 -0.035 0.000 1.627 369 G CA 0.580 45.754 45.100 0.123 0.000 1.390 369 G HN 0.743 nan 8.290 nan 0.000 0.458 370 P HA 0.215 nan 4.420 nan 0.000 0.236 370 P C 0.521 177.868 177.300 0.078 0.000 1.177 370 P CA 0.264 63.228 63.100 -0.227 0.000 0.773 370 P CB -0.194 31.130 31.700 -0.626 0.000 0.878 371 F N 1.351 121.361 119.950 0.099 0.000 2.677 371 F HA 0.365 4.892 4.527 -0.000 0.000 0.358 371 F C 1.227 177.047 175.800 0.033 0.000 1.266 371 F CA -0.716 57.338 58.000 0.091 0.000 1.262 371 F CB -0.273 38.812 39.000 0.142 0.000 1.684 371 F HN 0.040 nan 8.300 nan 0.000 0.671 372 A N 2.435 125.339 122.820 0.140 0.000 2.568 372 A HA 0.777 5.097 4.320 -0.000 0.000 0.291 372 A C -1.115 176.215 177.584 -0.424 0.000 1.159 372 A CA -0.770 51.217 52.037 -0.082 0.000 0.679 372 A CB 2.130 21.099 19.000 -0.051 0.000 1.285 372 A HN 0.490 nan 8.150 nan 0.000 0.428 373 E N 0.495 120.394 120.200 -0.502 0.000 2.372 373 E HA 0.387 4.737 4.350 -0.000 0.000 0.279 373 E C -1.926 174.464 176.600 -0.349 0.000 0.946 373 E CA -0.730 55.373 56.400 -0.495 0.000 0.769 373 E CB 1.714 31.354 29.700 -0.101 0.000 1.230 373 E HN 0.432 nan 8.360 nan 0.000 0.442 374 D N 2.632 122.913 120.400 -0.198 0.000 2.352 374 D HA 0.184 4.823 4.640 -0.000 0.000 0.245 374 D C -0.287 175.933 176.300 -0.134 0.000 1.224 374 D CA 0.283 54.238 54.000 -0.074 0.000 0.879 374 D CB 1.349 42.206 40.800 0.095 0.000 1.057 374 D HN 0.488 nan 8.370 nan 0.000 0.491 375 S N 1.046 116.553 115.700 -0.323 0.000 2.759 375 S HA 0.264 4.733 4.470 -0.000 0.000 0.310 375 S C -0.106 173.963 174.600 -0.884 0.000 1.123 375 S CA -0.971 56.916 58.200 -0.522 0.000 0.959 375 S CB 1.930 64.991 63.200 -0.231 0.000 1.172 375 S HN 0.156 nan 8.310 nan 0.000 0.539 376 D N 1.007 120.925 120.400 -0.803 0.000 2.545 376 D HA 0.428 5.068 4.640 -0.000 0.000 0.227 376 D C -0.902 175.256 176.300 -0.236 0.000 1.150 376 D CA 0.322 54.054 54.000 -0.445 0.000 1.046 376 D CB -0.890 39.833 40.800 -0.128 0.000 1.098 376 D HN 0.443 nan 8.370 nan 0.000 0.502 377 S N 2.269 117.836 115.700 -0.222 0.000 2.536 377 S HA 0.194 4.664 4.470 -0.000 0.000 0.271 377 S C -0.922 173.648 174.600 -0.049 0.000 1.134 377 S CA -0.984 57.140 58.200 -0.125 0.000 0.897 377 S CB 1.195 64.318 63.200 -0.128 0.000 1.094 377 S HN 0.406 nan 8.310 nan 0.000 0.473 378 W N 3.705 124.912 121.300 -0.155 0.000 2.257 378 W HA 0.125 4.784 4.660 -0.001 0.000 0.337 378 W C -0.941 175.532 176.519 -0.077 0.000 1.321 378 W CA 1.029 58.307 57.345 -0.112 0.000 1.267 378 W CB 0.357 29.744 29.460 -0.122 0.000 1.187 378 W HN 0.617 nan 8.180 nan 0.000 0.565 379 D N 4.492 124.357 120.400 -0.892 0.000 2.476 379 D HA 0.125 4.765 4.640 -0.000 0.000 0.251 379 D C 0.718 176.490 176.300 -0.880 0.000 1.291 379 D CA -0.309 53.336 54.000 -0.591 0.000 0.939 379 D CB 1.481 42.105 40.800 -0.294 0.000 1.221 379 D HN 0.287 nan 8.370 nan 0.000 0.567 380 T N 2.548 116.743 114.554 -0.598 0.000 2.788 380 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 380 T C 1.685 176.161 174.700 -0.373 0.000 1.044 380 T CA 1.044 62.880 62.100 -0.440 0.000 1.139 380 T CB -0.187 68.523 68.868 -0.264 0.000 0.867 380 T HN 0.379 nan 8.240 nan 0.000 0.454 381 F N 1.927 121.702 119.950 -0.292 0.000 2.075 381 F HA -0.019 4.509 4.527 0.001 0.000 0.297 381 F C 2.757 178.446 175.800 -0.184 0.000 1.113 381 F CA 0.955 58.826 58.000 -0.215 0.000 1.218 381 F CB -1.094 37.795 39.000 -0.185 0.000 0.984 381 F HN 0.114 nan 8.300 nan 0.000 0.472 382 A N 0.175 122.987 122.820 -0.014 0.000 1.883 382 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 382 A C 2.415 179.924 177.584 -0.124 0.000 1.186 382 A CA 2.089 54.086 52.037 -0.067 0.000 0.624 382 A CB -1.417 17.514 19.000 -0.116 0.000 0.822 382 A HN 0.341 nan 8.150 nan 0.000 0.444 383 A N 0.281 122.921 122.820 -0.301 0.000 1.902 383 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 383 A C 2.528 180.065 177.584 -0.080 0.000 1.181 383 A CA 2.514 54.397 52.037 -0.257 0.000 0.623 383 A CB -1.040 17.660 19.000 -0.499 0.000 0.818 383 A HN 1.028 nan 8.150 nan 0.000 0.443 384 S N 0.083 115.731 115.700 -0.088 0.000 2.383 384 S HA -0.082 4.388 4.470 -0.000 0.000 0.227 384 S C 1.884 176.508 174.600 0.041 0.000 1.026 384 S CA 1.393 59.575 58.200 -0.029 0.000 0.981 384 S CB -0.749 62.398 63.200 -0.088 0.000 0.818 384 S HN 0.444 nan 8.310 nan 0.000 0.472 385 L N 1.399 122.649 121.223 0.045 0.000 2.046 385 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 385 L C 3.215 180.220 176.870 0.226 0.000 1.077 385 L CA 1.250 56.167 54.840 0.129 0.000 0.747 385 L CB -0.881 41.212 42.059 0.056 0.000 0.896 385 L HN 0.473 nan 8.230 nan 0.000 0.432 386 A N 0.027 122.922 122.820 0.124 0.000 1.933 386 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 386 A C 2.520 180.152 177.584 0.080 0.000 1.175 386 A CA 1.594 53.694 52.037 0.104 0.000 0.628 386 A CB -0.660 18.386 19.000 0.077 0.000 0.814 386 A HN 0.397 nan 8.150 nan 0.000 0.444 387 A N -0.409 122.457 122.820 0.076 0.000 1.972 387 A HA 0.210 4.530 4.320 -0.000 0.000 0.219 387 A C 2.141 179.766 177.584 0.067 0.000 1.169 387 A CA 1.778 53.855 52.037 0.065 0.000 0.635 387 A CB -0.631 18.406 19.000 0.062 0.000 0.810 387 A HN 1.113 nan 8.150 nan 0.000 0.446 388 A N -1.817 121.079 122.820 0.127 0.000 2.307 388 A HA 0.454 4.774 4.320 -0.000 0.000 0.218 388 A C 1.489 179.048 177.584 -0.042 0.000 1.228 388 A CA 0.955 53.077 52.037 0.142 0.000 0.857 388 A CB -0.880 18.318 19.000 0.331 0.000 0.897 388 A HN 1.865 nan 8.150 nan 0.000 0.495 389 G N -1.415 107.321 108.800 -0.107 0.000 2.142 389 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.225 389 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.225 389 G C -0.285 174.268 174.900 -0.579 0.000 1.015 389 G CA 0.040 44.942 45.100 -0.330 0.000 0.716 389 G HN 0.363 nan 8.290 nan 0.000 0.508 390 F N 1.268 121.160 119.950 -0.096 0.000 2.482 390 F HA 0.573 5.099 4.527 -0.001 0.000 0.331 390 F C 0.898 176.648 175.800 -0.083 0.000 1.115 390 F CA -1.265 56.686 58.000 -0.082 0.000 0.955 390 F CB 1.116 40.128 39.000 0.020 0.000 1.136 390 F HN 0.060 nan 8.300 nan 0.000 0.452 391 H N 1.611 120.835 119.070 0.257 0.000 2.679 391 H HA 0.453 5.009 4.556 0.000 0.000 0.369 391 H C -0.494 174.974 175.328 0.233 0.000 1.178 391 H CA -0.106 56.066 56.048 0.205 0.000 1.419 391 H CB 1.294 31.157 29.762 0.168 0.000 1.458 391 H HN 0.292 nan 8.280 nan 0.000 0.605 392 V N 2.695 122.804 119.914 0.325 0.000 2.525 392 V HA 0.186 4.306 4.120 -0.000 0.000 0.299 392 V C -0.112 176.121 176.094 0.231 0.000 1.034 392 V CA -0.785 61.658 62.300 0.238 0.000 0.863 392 V CB 1.948 33.868 31.823 0.163 0.000 0.999 392 V HN 0.411 nan 8.190 nan 0.000 0.423 393 V N 6.195 126.249 119.914 0.233 0.000 2.417 393 V HA 0.541 4.661 4.120 -0.000 0.000 0.291 393 V C -0.098 176.108 176.094 0.187 0.000 1.024 393 V CA -0.330 62.109 62.300 0.231 0.000 0.861 393 V CB 1.680 33.683 31.823 0.301 0.000 0.985 393 V HN 0.906 nan 8.190 nan 0.000 0.436 394 M N 7.743 127.442 119.600 0.164 0.000 1.960 394 M HA 0.337 4.817 4.480 -0.000 0.000 0.271 394 M C -2.898 173.505 176.300 0.172 0.000 0.862 394 M CA -1.407 53.997 55.300 0.173 0.000 0.854 394 M CB 2.070 34.766 32.600 0.160 0.000 1.575 394 M HN 0.329 nan 8.290 nan 0.000 0.375 395 P HA 0.136 nan 4.420 nan 0.000 0.287 395 P C -0.942 176.486 177.300 0.214 0.000 1.281 395 P CA -0.249 62.944 63.100 0.155 0.000 0.781 395 P CB 0.632 32.451 31.700 0.198 0.000 0.903 396 N N 3.643 122.415 118.700 0.120 0.000 2.895 396 N HA 0.034 4.774 4.740 -0.000 0.000 0.277 396 N C 0.253 175.952 175.510 0.315 0.000 1.185 396 N CA -0.035 53.112 53.050 0.162 0.000 1.106 396 N CB -0.558 37.964 38.487 0.059 0.000 1.422 396 N HN 0.464 nan 8.380 nan 0.000 0.521 397 Y N 0.086 120.587 120.300 0.335 0.000 2.652 397 Y HA 0.034 4.584 4.550 -0.001 0.000 0.344 397 Y C 1.150 177.079 175.900 0.048 0.000 1.254 397 Y CA -1.295 56.949 58.100 0.239 0.000 1.480 397 Y CB 0.299 38.818 38.460 0.098 0.000 1.345 397 Y HN 0.279 nan 8.280 nan 0.000 0.617 398 R N 1.304 121.629 120.500 -0.291 0.000 2.585 398 R HA 0.372 4.712 4.340 -0.000 0.000 0.275 398 R C 0.777 176.925 176.300 -0.253 0.000 1.018 398 R CA 0.542 55.957 56.100 -1.142 0.000 1.072 398 R CB -0.245 29.267 30.300 -1.313 0.000 0.953 398 R HN 1.359 nan 8.270 nan 0.000 0.419 399 G N 1.747 110.418 108.800 -0.215 0.000 2.307 399 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.210 399 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.210 399 G C -0.098 174.944 174.900 0.237 0.000 1.005 399 G CA 0.021 45.206 45.100 0.142 0.000 0.634 399 G HN 0.659 nan 8.290 nan 0.000 0.496 400 S N 1.680 117.432 115.700 0.087 0.000 2.579 400 S HA 0.526 4.996 4.470 -0.000 0.000 0.275 400 S C 0.950 175.715 174.600 0.275 0.000 1.345 400 S CA 0.543 58.846 58.200 0.171 0.000 1.031 400 S CB 1.095 64.426 63.200 0.219 0.000 0.892 400 S HN 1.135 nan 8.310 nan 0.000 0.529 401 T N -1.161 113.511 114.554 0.196 0.000 2.847 401 T HA 0.621 4.971 4.350 -0.000 0.000 0.279 401 T C 1.230 176.038 174.700 0.179 0.000 0.984 401 T CA -0.089 62.108 62.100 0.162 0.000 0.988 401 T CB 0.835 69.756 68.868 0.089 0.000 1.040 401 T HN 1.205 nan 8.240 nan 0.000 0.528 402 G N -0.274 108.554 108.800 0.047 0.000 2.195 402 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.224 402 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.224 402 G C 0.187 174.749 174.900 -0.563 0.000 0.990 402 G CA 0.217 45.183 45.100 -0.224 0.000 0.639 402 G HN 0.789 nan 8.290 nan 0.000 0.514 403 Y N 0.622 121.001 120.300 0.131 0.000 2.779 403 Y HA 0.493 5.043 4.550 -0.000 0.000 0.251 403 Y C 1.202 177.181 175.900 0.132 0.000 1.145 403 Y CA 0.354 58.520 58.100 0.111 0.000 1.201 403 Y CB 1.349 39.838 38.460 0.047 0.000 1.281 403 Y HN 1.219 nan 8.280 nan 0.000 0.563 404 G N 0.616 109.530 108.800 0.190 0.000 2.617 404 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 404 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 404 G C 0.063 175.058 174.900 0.158 0.000 1.214 404 G CA -0.260 44.926 45.100 0.142 0.000 0.796 404 G HN 0.130 nan 8.290 nan 0.000 0.654 405 E N -0.055 120.190 120.200 0.075 0.000 2.097 405 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 405 E C 2.072 178.728 176.600 0.092 0.000 1.000 405 E CA 2.455 58.880 56.400 0.041 0.000 0.804 405 E CB -0.091 29.602 29.700 -0.012 0.000 0.740 405 E HN 0.665 nan 8.360 nan 0.000 0.454 406 E N -0.446 119.832 120.200 0.129 0.000 2.031 406 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 406 E C 1.901 178.642 176.600 0.235 0.000 0.994 406 E CA 1.256 57.748 56.400 0.154 0.000 0.800 406 E CB -0.507 29.284 29.700 0.151 0.000 0.752 406 E HN 0.562 nan 8.360 nan 0.000 0.447 407 W N 1.648 123.004 121.300 0.095 0.000 2.338 407 W HA -0.212 4.448 4.660 -0.000 0.000 0.304 407 W C 2.360 178.968 176.519 0.149 0.000 1.212 407 W CA 1.400 58.821 57.345 0.127 0.000 1.264 407 W CB -0.160 29.395 29.460 0.157 0.000 1.142 407 W HN 0.085 nan 8.180 nan 0.000 0.512 408 R N 0.391 121.012 120.500 0.201 0.000 2.096 408 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 408 R C 2.288 178.645 176.300 0.095 0.000 1.127 408 R CA 1.504 57.671 56.100 0.111 0.000 0.968 408 R CB -0.631 29.711 30.300 0.070 0.000 0.861 408 R HN 0.251 nan 8.270 nan 0.000 0.440 409 L N 0.183 121.444 121.223 0.064 0.000 2.558 409 L HA 0.026 4.365 4.340 -0.000 0.000 0.225 409 L C 1.975 178.884 176.870 0.064 0.000 1.128 409 L CA 0.449 55.333 54.840 0.074 0.000 0.868 409 L CB -0.063 42.021 42.059 0.043 0.000 1.006 409 L HN 0.133 nan 8.230 nan 0.000 0.454 410 K N 0.453 120.862 120.400 0.015 0.000 2.209 410 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 410 K C 1.989 178.587 176.600 -0.004 0.000 1.048 410 K CA 1.114 57.393 56.287 -0.012 0.000 0.940 410 K CB 0.019 32.461 32.500 -0.097 0.000 0.729 410 K HN 0.280 nan 8.250 nan 0.000 0.451 411 I N 1.186 121.762 120.570 0.010 0.000 2.676 411 I HA -0.127 4.043 4.170 -0.000 0.000 0.259 411 I C 0.131 176.261 176.117 0.021 0.000 1.194 411 I CA 0.268 61.586 61.300 0.030 0.000 1.473 411 I CB 0.288 38.316 38.000 0.048 0.000 1.096 411 I HN -0.014 nan 8.210 nan 0.000 0.443 412 I N 2.237 122.834 120.570 0.044 0.000 2.668 412 I HA -0.001 4.169 4.170 -0.000 0.000 0.285 412 I C 1.560 177.668 176.117 -0.016 0.000 1.168 412 I CA 1.234 62.542 61.300 0.012 0.000 1.424 412 I CB -0.621 37.415 38.000 0.060 0.000 1.377 412 I HN 0.501 nan 8.210 nan 0.000 0.560 413 G N 5.479 114.240 108.800 -0.065 0.000 2.179 413 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 413 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 413 G C 0.310 175.182 174.900 -0.047 0.000 0.977 413 G CA 0.432 45.493 45.100 -0.065 0.000 0.641 413 G HN 0.626 nan 8.290 nan 0.000 0.533 414 D N 0.394 120.777 120.400 -0.028 0.000 2.992 414 D HA 0.317 4.957 4.640 -0.000 0.000 0.372 414 D C -2.151 174.183 176.300 0.057 0.000 1.374 414 D CA -1.053 52.953 54.000 0.010 0.000 0.769 414 D CB 1.015 41.829 40.800 0.024 0.000 1.215 414 D HN 0.294 nan 8.370 nan 0.000 0.473 415 P HA 0.071 nan 4.420 nan 0.000 0.271 415 P C 0.311 177.781 177.300 0.284 0.000 1.216 415 P CA -0.064 63.210 63.100 0.289 0.000 0.776 415 P CB 1.277 33.169 31.700 0.321 0.000 0.881 416 C N 2.328 121.776 119.300 0.246 0.000 4.300 416 C HA -0.081 4.379 4.460 -0.000 0.000 0.304 416 C C 1.170 176.151 174.990 -0.016 0.000 1.367 416 C CA 1.000 60.032 59.018 0.024 0.000 2.032 416 C CB -2.227 25.527 27.740 0.023 0.000 1.285 416 C HN 0.875 nan 8.230 nan 0.000 0.737 417 G N -0.011 108.777 108.800 -0.021 0.000 3.190 417 G HA2 0.529 4.489 3.960 -0.000 0.000 0.191 417 G HA3 0.529 4.489 3.960 -0.000 0.000 0.191 417 G C 1.102 175.921 174.900 -0.135 0.000 1.523 417 G CA 0.644 45.695 45.100 -0.081 0.000 0.842 417 G HN 1.083 nan 8.290 nan 0.000 0.782 418 G N 0.761 109.519 108.800 -0.071 0.000 2.422 418 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.218 418 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.218 418 G C 1.520 176.489 174.900 0.114 0.000 1.146 418 G CA 1.802 46.925 45.100 0.038 0.000 0.769 418 G HN 0.593 nan 8.290 nan 0.000 0.547 419 E N 0.779 121.018 120.200 0.066 0.000 2.110 419 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 419 E C 2.383 178.983 176.600 0.001 0.000 0.988 419 E CA 1.104 57.548 56.400 0.073 0.000 0.804 419 E CB -0.589 29.141 29.700 0.049 0.000 0.745 419 E HN 0.388 nan 8.360 nan 0.000 0.458 420 L N 1.515 122.707 121.223 -0.052 0.000 2.109 420 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 420 L C 2.214 179.079 176.870 -0.009 0.000 1.086 420 L CA 1.703 56.498 54.840 -0.074 0.000 0.760 420 L CB -0.373 41.612 42.059 -0.123 0.000 0.910 420 L HN -0.089 nan 8.230 nan 0.000 0.437 421 E N 0.171 120.355 120.200 -0.026 0.000 2.118 421 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 421 E C 1.844 178.561 176.600 0.194 0.000 0.992 421 E CA 1.429 57.848 56.400 0.031 0.000 0.804 421 E CB -0.389 29.229 29.700 -0.137 0.000 0.741 421 E HN 0.599 nan 8.360 nan 0.000 0.458 422 D N 0.442 120.995 120.400 0.255 0.000 2.097 422 D HA -0.107 4.533 4.640 -0.000 0.000 0.195 422 D C 2.172 178.615 176.300 0.240 0.000 0.989 422 D CA 0.696 54.875 54.000 0.298 0.000 0.827 422 D CB -0.307 40.720 40.800 0.379 0.000 0.966 422 D HN 0.018 nan 8.370 nan 0.000 0.456 423 V N 1.042 121.075 119.914 0.198 0.000 2.407 423 V HA -0.209 3.910 4.120 -0.000 0.000 0.248 423 V C 2.437 178.663 176.094 0.220 0.000 1.055 423 V CA 1.693 64.111 62.300 0.195 0.000 1.049 423 V CB -0.449 31.438 31.823 0.107 0.000 0.662 423 V HN 0.142 nan 8.190 nan 0.000 0.455 424 S N 0.203 116.000 115.700 0.161 0.000 2.387 424 S HA -0.076 4.393 4.470 -0.000 0.000 0.226 424 S C 2.209 176.870 174.600 0.103 0.000 1.026 424 S CA 1.180 59.440 58.200 0.100 0.000 0.972 424 S CB -0.382 62.838 63.200 0.034 0.000 0.814 424 S HN 0.644 nan 8.310 nan 0.000 0.477 425 A N 1.763 124.674 122.820 0.151 0.000 1.902 425 A HA 0.143 4.463 4.320 -0.000 0.000 0.217 425 A C 2.360 180.070 177.584 0.208 0.000 1.181 425 A CA 1.602 53.741 52.037 0.171 0.000 0.623 425 A CB -1.060 18.055 19.000 0.191 0.000 0.818 425 A HN 0.506 nan 8.150 nan 0.000 0.443 426 A N -0.132 122.814 122.820 0.210 0.000 1.933 426 A HA 0.169 4.489 4.320 -0.000 0.000 0.218 426 A C 2.486 180.274 177.584 0.340 0.000 1.175 426 A CA 2.043 54.231 52.037 0.251 0.000 0.628 426 A CB -0.957 18.160 19.000 0.196 0.000 0.814 426 A HN 0.997 nan 8.150 nan 0.000 0.444 427 A N -0.045 122.927 122.820 0.254 0.000 1.858 427 A HA -0.167 4.152 4.320 -0.000 0.000 0.216 427 A C 2.255 179.900 177.584 0.101 0.000 1.190 427 A CA 1.522 53.672 52.037 0.187 0.000 0.617 427 A CB -0.512 18.494 19.000 0.010 0.000 0.827 427 A HN 0.531 nan 8.150 nan 0.000 0.443 428 R N -2.148 118.393 120.500 0.069 0.000 2.096 428 R HA -0.204 4.136 4.340 -0.000 0.000 0.235 428 R C 2.048 178.403 176.300 0.093 0.000 1.127 428 R CA 1.570 57.694 56.100 0.040 0.000 0.968 428 R CB -0.426 29.895 30.300 0.034 0.000 0.861 428 R HN 0.813 nan 8.270 nan 0.000 0.440 429 W N 1.536 122.848 121.300 0.019 0.000 2.358 429 W HA -0.191 4.469 4.660 -0.001 0.000 0.303 429 W C 2.180 178.712 176.519 0.021 0.000 1.208 429 W CA 1.735 59.095 57.345 0.024 0.000 1.274 429 W CB -0.237 29.243 29.460 0.035 0.000 1.138 429 W HN 0.074 nan 8.180 nan 0.000 0.515 430 A N 0.679 123.523 122.820 0.040 0.000 1.933 430 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 430 A C 2.039 179.445 177.584 -0.296 0.000 1.175 430 A CA 1.967 53.860 52.037 -0.239 0.000 0.628 430 A CB -0.902 18.181 19.000 0.139 0.000 0.814 430 A HN 0.481 nan 8.150 nan 0.000 0.444 431 R N -0.262 120.138 120.500 -0.166 0.000 2.057 431 R HA -0.089 4.251 4.340 -0.000 0.000 0.229 431 R C 2.027 178.207 176.300 -0.199 0.000 1.136 431 R CA 1.670 57.682 56.100 -0.146 0.000 0.952 431 R CB -0.340 29.904 30.300 -0.093 0.000 0.848 431 R HN 0.588 nan 8.270 nan 0.000 0.430 432 E N 0.109 120.186 120.200 -0.206 0.000 2.110 432 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 432 E C 1.805 178.246 176.600 -0.265 0.000 0.988 432 E CA 1.525 57.818 56.400 -0.180 0.000 0.804 432 E CB 0.052 29.693 29.700 -0.098 0.000 0.745 432 E HN 0.474 nan 8.360 nan 0.000 0.458 433 S N -0.890 114.500 115.700 -0.516 0.000 2.515 433 S HA 0.055 4.525 4.470 -0.000 0.000 0.231 433 S C 1.632 176.006 174.600 -0.375 0.000 0.987 433 S CA 0.590 58.457 58.200 -0.556 0.000 0.936 433 S CB 0.309 62.803 63.200 -1.176 0.000 0.766 433 S HN 0.385 nan 8.310 nan 0.000 0.528 434 G N 0.528 109.139 108.800 -0.315 0.000 2.157 434 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.239 434 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.239 434 G C 0.436 175.218 174.900 -0.196 0.000 0.982 434 G CA 0.329 45.310 45.100 -0.199 0.000 0.650 434 G HN 0.632 nan 8.290 nan 0.000 0.527 435 L N 0.787 121.836 121.223 -0.290 0.000 2.072 435 L HA 0.706 5.046 4.340 -0.000 0.000 0.205 435 L C 1.652 178.462 176.870 -0.100 0.000 1.079 435 L CA 2.500 57.188 54.840 -0.254 0.000 0.752 435 L CB -0.251 41.611 42.059 -0.328 0.000 0.906 435 L HN 0.942 nan 8.230 nan 0.000 0.436 436 A N -1.528 121.254 122.820 -0.063 0.000 2.318 436 A HA 0.531 4.851 4.320 -0.000 0.000 0.324 436 A C 0.950 178.546 177.584 0.020 0.000 1.170 436 A CA 0.115 52.183 52.037 0.050 0.000 0.810 436 A CB 0.817 19.851 19.000 0.058 0.000 1.198 436 A HN 0.389 nan 8.150 nan 0.000 0.484 437 S N 1.218 116.950 115.700 0.054 0.000 2.458 437 S HA 0.151 4.621 4.470 -0.000 0.000 0.223 437 S C 0.418 175.022 174.600 0.007 0.000 1.019 437 S CA 0.644 58.857 58.200 0.021 0.000 0.937 437 S CB -0.286 62.933 63.200 0.031 0.000 0.788 437 S HN 0.901 nan 8.310 nan 0.000 0.511 438 E N -0.155 120.061 120.200 0.026 0.000 2.407 438 E HA 0.638 4.988 4.350 -0.000 0.000 0.279 438 E C -1.819 174.748 176.600 -0.055 0.000 1.012 438 E CA -1.123 55.248 56.400 -0.049 0.000 0.800 438 E CB 1.020 30.679 29.700 -0.069 0.000 1.276 438 E HN 0.155 nan 8.360 nan 0.000 0.452 439 L N 1.900 123.005 121.223 -0.196 0.000 2.385 439 L HA 0.563 4.902 4.340 -0.000 0.000 0.273 439 L C -1.418 175.371 176.870 -0.136 0.000 0.990 439 L CA -0.808 54.020 54.840 -0.020 0.000 0.821 439 L CB 1.264 43.362 42.059 0.066 0.000 1.279 439 L HN 0.604 nan 8.230 nan 0.000 0.412 440 Y N 2.829 123.329 120.300 0.335 0.000 2.562 440 Y HA 0.629 5.179 4.550 0.001 0.000 0.343 440 Y C -0.284 175.530 175.900 -0.144 0.000 1.025 440 Y CA -0.754 57.441 58.100 0.159 0.000 1.082 440 Y CB 2.542 41.030 38.460 0.045 0.000 1.264 440 Y HN 0.368 nan 8.280 nan 0.000 0.478 441 I N 2.943 123.295 120.570 -0.363 0.000 2.569 441 I HA 0.636 4.806 4.170 -0.000 0.000 0.296 441 I C -1.366 174.586 176.117 -0.275 0.000 1.028 441 I CA -0.927 59.991 61.300 -0.637 0.000 1.082 441 I CB 1.644 38.799 38.000 -1.408 0.000 1.264 441 I HN 0.822 nan 8.210 nan 0.000 0.429 442 M N 6.341 125.817 119.600 -0.207 0.000 2.413 442 M HA 0.722 5.202 4.480 -0.000 0.000 0.287 442 M C -1.585 174.630 176.300 -0.142 0.000 1.186 442 M CA -0.278 54.931 55.300 -0.151 0.000 0.927 442 M CB 2.320 34.883 32.600 -0.062 0.000 1.715 442 M HN 0.705 nan 8.290 nan 0.000 0.478 443 G N 2.258 110.927 108.800 -0.218 0.000 2.667 443 G HA2 0.574 4.534 3.960 -0.000 0.000 0.294 443 G HA3 0.574 4.534 3.960 -0.000 0.000 0.294 443 G C -2.696 171.999 174.900 -0.342 0.000 1.467 443 G CA -0.457 44.543 45.100 -0.167 0.000 0.852 443 G HN 0.660 nan 8.290 nan 0.000 0.521 444 Y N 0.798 120.966 120.300 -0.219 0.000 2.446 444 Y HA 0.654 5.203 4.550 -0.000 0.000 0.345 444 Y C 1.147 177.006 175.900 -0.068 0.000 0.984 444 Y CA 0.711 58.692 58.100 -0.198 0.000 1.058 444 Y CB 2.444 40.692 38.460 -0.353 0.000 1.220 444 Y HN 1.103 nan 8.280 nan 0.000 0.455 445 S N 1.250 117.015 115.700 0.108 0.000 4.141 445 S HA -0.420 4.050 4.470 -0.000 0.000 0.622 445 S C 1.020 175.731 174.600 0.185 0.000 1.894 445 S CA 1.612 59.958 58.200 0.244 0.000 4.238 445 S CB -1.517 61.939 63.200 0.428 0.000 0.205 445 S HN 0.861 nan 8.310 nan 0.000 0.486 446 Y N 2.521 122.912 120.300 0.153 0.000 2.333 446 Y HA 0.083 4.632 4.550 -0.000 0.000 0.290 446 Y C 2.297 178.269 175.900 0.119 0.000 1.144 446 Y CA 2.379 60.574 58.100 0.158 0.000 1.228 446 Y CB -0.921 37.660 38.460 0.202 0.000 0.985 446 Y HN 0.522 nan 8.280 nan 0.000 0.542 447 G N -0.842 108.064 108.800 0.177 0.000 2.418 447 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 447 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 447 G C 1.917 176.749 174.900 -0.113 0.000 1.158 447 G CA 0.756 45.872 45.100 0.026 0.000 0.771 447 G HN 0.546 nan 8.290 nan 0.000 0.545 448 G N -0.231 108.493 108.800 -0.127 0.000 2.408 448 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 448 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 448 G C 1.617 176.413 174.900 -0.173 0.000 1.150 448 G CA 1.057 46.037 45.100 -0.201 0.000 0.776 448 G HN 0.407 nan 8.290 nan 0.000 0.542 449 Y N 1.024 121.139 120.300 -0.308 0.000 2.114 449 Y HA -0.180 4.370 4.550 -0.001 0.000 0.282 449 Y C 2.745 178.421 175.900 -0.373 0.000 1.165 449 Y CA 1.781 59.639 58.100 -0.403 0.000 1.148 449 Y CB -0.121 37.960 38.460 -0.632 0.000 0.972 449 Y HN 0.084 nan 8.280 nan 0.000 0.504 450 M N -0.566 118.763 119.600 -0.451 0.000 2.159 450 M HA -0.203 4.277 4.480 -0.000 0.000 0.263 450 M C 2.060 178.157 176.300 -0.339 0.000 1.063 450 M CA 1.948 56.981 55.300 -0.446 0.000 1.110 450 M CB -1.486 30.914 32.600 -0.332 0.000 1.374 450 M HN 0.271 nan 8.290 nan 0.000 0.411 451 T N 1.516 115.896 114.554 -0.290 0.000 2.652 451 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 451 T C 2.009 176.574 174.700 -0.225 0.000 1.039 451 T CA 1.153 63.096 62.100 -0.262 0.000 1.153 451 T CB -0.283 68.435 68.868 -0.249 0.000 0.863 451 T HN 0.322 nan 8.240 nan 0.000 0.428 452 L N 0.291 121.366 121.223 -0.246 0.000 2.083 452 L HA -0.115 4.224 4.340 -0.000 0.000 0.209 452 L C 2.863 179.596 176.870 -0.228 0.000 1.083 452 L CA 0.931 55.644 54.840 -0.211 0.000 0.752 452 L CB -0.672 41.265 42.059 -0.203 0.000 0.899 452 L HN 0.404 nan 8.230 nan 0.000 0.433 453 C N -0.430 118.654 119.300 -0.360 0.000 2.457 453 C HA -0.046 4.414 4.460 -0.000 0.000 0.278 453 C C 3.115 177.984 174.990 -0.202 0.000 1.309 453 C CA 0.611 59.419 59.018 -0.351 0.000 1.735 453 C CB -0.876 26.522 27.740 -0.570 0.000 1.992 453 C HN 0.602 nan 8.230 nan 0.000 0.493 454 A N 0.378 123.110 122.820 -0.148 0.000 1.898 454 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 454 A C 2.094 179.705 177.584 0.046 0.000 1.181 454 A CA 1.237 53.279 52.037 0.009 0.000 0.620 454 A CB -0.543 18.533 19.000 0.126 0.000 0.819 454 A HN 0.574 nan 8.150 nan 0.000 0.442 455 L N 0.119 121.347 121.223 0.008 0.000 2.217 455 L HA -0.108 4.232 4.340 -0.000 0.000 0.211 455 L C 2.808 179.677 176.870 -0.002 0.000 1.107 455 L CA 1.814 56.673 54.840 0.032 0.000 0.783 455 L CB -1.015 41.055 42.059 0.017 0.000 0.919 455 L HN 0.681 nan 8.230 nan 0.000 0.442 456 T N -3.582 110.947 114.554 -0.041 0.000 2.939 456 T HA -0.031 4.319 4.350 -0.000 0.000 0.254 456 T C 1.807 176.460 174.700 -0.078 0.000 1.041 456 T CA 0.444 62.521 62.100 -0.039 0.000 1.142 456 T CB 0.028 68.885 68.868 -0.018 0.000 0.874 456 T HN -0.004 nan 8.240 nan 0.000 0.452 457 M N 0.717 120.246 119.600 -0.117 0.000 2.486 457 M HA 0.308 4.788 4.480 -0.000 0.000 0.264 457 M C 0.599 176.843 176.300 -0.094 0.000 1.125 457 M CA 0.811 56.023 55.300 -0.148 0.000 1.144 457 M CB -0.406 32.082 32.600 -0.185 0.000 1.353 457 M HN 0.126 nan 8.290 nan 0.000 0.466 458 K N 1.402 121.769 120.400 -0.055 0.000 3.122 458 K HA 0.355 4.675 4.320 -0.000 0.000 0.193 458 K C -2.555 174.034 176.600 -0.017 0.000 1.141 458 K CA -1.497 54.766 56.287 -0.040 0.000 0.975 458 K CB 0.338 32.819 32.500 -0.032 0.000 1.173 458 K HN 0.123 nan 8.250 nan 0.000 0.546 459 P HA -0.021 nan 4.420 nan 0.000 0.265 459 P C 0.845 178.137 177.300 -0.014 0.000 1.193 459 P CA 0.998 64.099 63.100 0.003 0.000 0.765 459 P CB 0.819 32.518 31.700 -0.002 0.000 0.823 460 G N 1.936 110.734 108.800 -0.005 0.000 2.217 460 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.246 460 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.246 460 G C 0.618 175.464 174.900 -0.089 0.000 0.990 460 G CA 0.281 45.361 45.100 -0.032 0.000 0.627 460 G HN 0.542 nan 8.290 nan 0.000 0.522 461 L N 0.088 121.226 121.223 -0.142 0.000 2.005 461 L HA 0.458 4.798 4.340 -0.000 0.000 0.207 461 L C 1.219 177.807 176.870 -0.470 0.000 1.072 461 L CA 1.597 56.227 54.840 -0.351 0.000 0.744 461 L CB -0.423 41.339 42.059 -0.495 0.000 0.895 461 L HN 0.266 nan 8.230 nan 0.000 0.433 462 F N -1.031 118.898 119.950 -0.034 0.000 2.440 462 F HA 0.288 4.815 4.527 0.000 0.000 0.328 462 F C 1.539 177.296 175.800 -0.072 0.000 1.070 462 F CA -0.496 57.471 58.000 -0.055 0.000 1.011 462 F CB 0.968 39.965 39.000 -0.004 0.000 1.226 462 F HN -0.245 nan 8.300 nan 0.000 0.491 463 K N 0.925 121.340 120.400 0.025 0.000 2.186 463 K HA 0.402 4.722 4.320 -0.000 0.000 0.202 463 K C -0.164 176.529 176.600 0.155 0.000 1.052 463 K CA 0.826 57.098 56.287 -0.025 0.000 0.965 463 K CB 0.245 32.577 32.500 -0.281 0.000 0.746 463 K HN 0.719 nan 8.250 nan 0.000 0.457 464 A N -0.670 122.330 122.820 0.299 0.000 2.586 464 A HA 0.602 4.922 4.320 -0.000 0.000 0.291 464 A C -1.089 176.731 177.584 0.393 0.000 1.062 464 A CA -0.443 51.839 52.037 0.409 0.000 0.666 464 A CB 1.328 20.601 19.000 0.455 0.000 1.281 464 A HN 0.189 nan 8.150 nan 0.000 0.421 465 G N -0.693 108.296 108.800 0.315 0.000 2.620 465 G HA2 0.639 4.599 3.960 -0.000 0.000 0.301 465 G HA3 0.639 4.599 3.960 -0.000 0.000 0.301 465 G C -1.558 173.351 174.900 0.015 0.000 1.347 465 G CA -0.527 44.630 45.100 0.095 0.000 0.971 465 G HN 1.218 nan 8.290 nan 0.000 0.488 466 V N 0.622 120.479 119.914 -0.096 0.000 2.448 466 V HA 0.731 4.851 4.120 -0.000 0.000 0.295 466 V C 0.204 176.118 176.094 -0.300 0.000 1.025 466 V CA -0.700 61.466 62.300 -0.223 0.000 0.859 466 V CB 1.415 33.141 31.823 -0.161 0.000 0.988 466 V HN 1.150 nan 8.190 nan 0.000 0.431 467 A N 3.723 126.351 122.820 -0.319 0.000 2.360 467 A HA 0.799 5.119 4.320 -0.000 0.000 0.309 467 A C 0.222 177.577 177.584 -0.382 0.000 1.311 467 A CA -0.188 51.653 52.037 -0.327 0.000 0.805 467 A CB 0.831 19.702 19.000 -0.214 0.000 1.144 467 A HN 1.012 nan 8.150 nan 0.000 0.486 468 G N 1.116 109.505 108.800 -0.685 0.000 2.372 468 G HA2 0.643 4.603 3.960 -0.000 0.000 0.323 468 G HA3 0.643 4.603 3.960 -0.000 0.000 0.323 468 G C 0.657 175.367 174.900 -0.316 0.000 1.152 468 G CA 0.125 44.806 45.100 -0.699 0.000 0.906 468 G HN 2.282 nan 8.290 nan 0.000 0.460 469 A N 1.751 124.423 122.820 -0.248 0.000 2.415 469 A HA -0.087 4.233 4.320 -0.000 0.000 0.292 469 A C 0.962 178.510 177.584 -0.060 0.000 1.452 469 A CA 0.911 52.700 52.037 -0.414 0.000 0.750 469 A CB -1.940 16.887 19.000 -0.289 0.000 1.099 469 A HN 1.196 nan 8.150 nan 0.000 0.391 470 S N -0.814 114.929 115.700 0.072 0.000 2.586 470 S HA 0.495 4.965 4.470 -0.000 0.000 0.274 470 S C 0.641 175.260 174.600 0.031 0.000 1.281 470 S CA -0.372 57.849 58.200 0.036 0.000 1.035 470 S CB 1.635 64.827 63.200 -0.013 0.000 0.962 470 S HN 0.832 nan 8.310 nan 0.000 0.512 471 V N 3.295 123.142 119.914 -0.110 0.000 2.572 471 V HA 0.101 4.221 4.120 -0.000 0.000 0.291 471 V C 0.776 176.736 176.094 -0.223 0.000 1.039 471 V CA 0.225 62.322 62.300 -0.339 0.000 1.055 471 V CB 0.925 32.211 31.823 -0.895 0.000 0.969 471 V HN 0.848 nan 8.190 nan 0.000 0.482 472 V N 2.244 122.005 119.914 -0.255 0.000 3.058 472 V HA 0.282 4.402 4.120 -0.000 0.000 0.233 472 V C 0.034 176.011 176.094 -0.194 0.000 1.255 472 V CA 0.478 62.674 62.300 -0.174 0.000 1.267 472 V CB 0.692 32.422 31.823 -0.155 0.000 1.049 472 V HN 0.909 nan 8.190 nan 0.000 0.486 473 D N -1.652 118.606 120.400 -0.236 0.000 2.478 473 D HA 0.210 4.850 4.640 -0.000 0.000 0.240 473 D C 0.188 176.417 176.300 -0.118 0.000 1.364 473 D CA -0.605 53.304 54.000 -0.151 0.000 0.987 473 D CB 0.793 41.552 40.800 -0.069 0.000 1.328 473 D HN 0.146 nan 8.370 nan 0.000 0.584 474 W N 2.247 123.554 121.300 0.011 0.000 2.325 474 W HA -0.150 4.510 4.660 0.000 0.000 0.299 474 W C 1.876 178.431 176.519 0.060 0.000 1.215 474 W CA 0.667 58.025 57.345 0.021 0.000 1.244 474 W CB 0.074 29.534 29.460 -0.001 0.000 1.140 474 W HN 0.496 nan 8.180 nan 0.000 0.523 475 E N 0.107 120.455 120.200 0.247 0.000 2.006 475 E HA -0.245 4.104 4.350 -0.000 0.000 0.192 475 E C 1.929 178.625 176.600 0.160 0.000 0.993 475 E CA 1.377 57.873 56.400 0.160 0.000 0.808 475 E CB -0.568 29.185 29.700 0.087 0.000 0.764 475 E HN 0.368 nan 8.360 nan 0.000 0.449 476 E N 0.693 120.950 120.200 0.094 0.000 2.153 476 E HA -0.200 4.149 4.350 -0.000 0.000 0.194 476 E C 2.116 178.766 176.600 0.083 0.000 0.988 476 E CA 0.780 57.220 56.400 0.067 0.000 0.811 476 E CB -0.013 29.694 29.700 0.011 0.000 0.746 476 E HN 0.164 nan 8.360 nan 0.000 0.466 477 M N -0.399 119.257 119.600 0.092 0.000 2.132 477 M HA -0.203 4.277 4.480 -0.000 0.000 0.263 477 M C 2.023 178.416 176.300 0.154 0.000 1.065 477 M CA 1.444 56.794 55.300 0.084 0.000 1.122 477 M CB -0.212 32.422 32.600 0.056 0.000 1.365 477 M HN 0.211 nan 8.290 nan 0.000 0.411 478 Y N 1.402 121.774 120.300 0.121 0.000 2.151 478 Y HA -0.311 4.239 4.550 -0.000 0.000 0.284 478 Y C 1.907 177.856 175.900 0.081 0.000 1.166 478 Y CA 2.502 60.678 58.100 0.126 0.000 1.163 478 Y CB -0.255 38.280 38.460 0.125 0.000 0.974 478 Y HN 0.379 nan 8.280 nan 0.000 0.511 479 E N -0.240 120.079 120.200 0.199 0.000 2.204 479 E HA -0.176 4.173 4.350 -0.000 0.000 0.195 479 E C 1.596 178.202 176.600 0.010 0.000 0.990 479 E CA 1.379 57.840 56.400 0.102 0.000 0.821 479 E CB -0.179 29.584 29.700 0.104 0.000 0.750 479 E HN 0.514 nan 8.360 nan 0.000 0.477 480 L N 0.212 121.436 121.223 0.001 0.000 2.640 480 L HA 0.165 4.505 4.340 -0.000 0.000 0.230 480 L C 0.401 177.243 176.870 -0.046 0.000 1.123 480 L CA -0.310 54.517 54.840 -0.023 0.000 0.900 480 L CB 0.576 42.623 42.059 -0.021 0.000 1.146 480 L HN -0.130 nan 8.230 nan 0.000 0.484 481 S N 0.006 115.667 115.700 -0.064 0.000 2.617 481 S HA 0.261 4.731 4.470 -0.000 0.000 0.283 481 S C -0.314 174.264 174.600 -0.038 0.000 1.189 481 S CA -0.877 57.299 58.200 -0.040 0.000 1.036 481 S CB 1.496 64.711 63.200 0.024 0.000 1.014 481 S HN 0.280 nan 8.310 nan 0.000 0.522 482 D N 0.783 121.206 120.400 0.039 0.000 2.414 482 D HA 0.395 5.034 4.640 -0.000 0.000 0.259 482 D C 1.166 177.459 176.300 -0.013 0.000 1.269 482 D CA -0.322 53.691 54.000 0.021 0.000 1.028 482 D CB 0.091 40.926 40.800 0.058 0.000 1.093 482 D HN 0.378 nan 8.370 nan 0.000 0.545 483 A N -0.149 122.637 122.820 -0.057 0.000 1.933 483 A HA 0.047 4.367 4.320 -0.000 0.000 0.218 483 A C 2.176 179.668 177.584 -0.154 0.000 1.175 483 A CA 2.435 54.416 52.037 -0.094 0.000 0.628 483 A CB -1.299 17.646 19.000 -0.090 0.000 0.814 483 A HN 0.685 nan 8.150 nan 0.000 0.444 484 A N -1.251 121.389 122.820 -0.300 0.000 1.873 484 A HA 0.059 4.378 4.320 -0.000 0.000 0.215 484 A C 1.961 179.255 177.584 -0.483 0.000 1.186 484 A CA 1.379 52.979 52.037 -0.727 0.000 0.616 484 A CB -0.693 17.369 19.000 -1.564 0.000 0.823 484 A HN 0.460 nan 8.150 nan 0.000 0.442 485 F N -0.173 119.700 119.950 -0.129 0.000 2.259 485 F HA -0.041 4.486 4.527 0.000 0.000 0.298 485 F C 2.594 178.492 175.800 0.164 0.000 1.088 485 F CA 1.208 59.308 58.000 0.168 0.000 1.358 485 F CB -0.104 38.981 39.000 0.141 0.000 1.040 485 F HN 0.092 nan 8.300 nan 0.000 0.505 486 R N 0.091 120.671 120.500 0.134 0.000 2.073 486 R HA -0.199 4.140 4.340 -0.000 0.000 0.234 486 R C 2.171 178.593 176.300 0.204 0.000 1.134 486 R CA 1.503 57.582 56.100 -0.035 0.000 0.952 486 R CB -0.769 29.330 30.300 -0.335 0.000 0.850 486 R HN 0.346 nan 8.270 nan 0.000 0.433 487 N N 0.419 119.212 118.700 0.156 0.000 2.084 487 N HA -0.191 4.548 4.740 -0.000 0.000 0.190 487 N C 1.748 177.428 175.510 0.283 0.000 1.030 487 N CA 1.164 54.333 53.050 0.198 0.000 0.849 487 N CB -0.089 38.486 38.487 0.147 0.000 1.012 487 N HN 0.063 nan 8.380 nan 0.000 0.423 488 F N 1.894 121.949 119.950 0.176 0.000 2.134 488 F HA -0.014 4.513 4.527 0.000 0.000 0.299 488 F C 2.258 178.144 175.800 0.143 0.000 1.097 488 F CA 0.890 59.006 58.000 0.194 0.000 1.264 488 F CB -0.320 38.823 39.000 0.237 0.000 1.001 488 F HN 0.013 nan 8.300 nan 0.000 0.479 489 I N 0.073 120.796 120.570 0.255 0.000 2.163 489 I HA -0.314 3.855 4.170 -0.000 0.000 0.243 489 I C 2.276 178.354 176.117 -0.065 0.000 1.085 489 I CA 1.679 63.038 61.300 0.099 0.000 1.347 489 I CB -0.572 37.678 38.000 0.416 0.000 1.044 489 I HN 0.146 nan 8.210 nan 0.000 0.408 490 E N 0.358 120.613 120.200 0.092 0.000 2.097 490 E HA -0.298 4.052 4.350 -0.000 0.000 0.196 490 E C 2.256 178.817 176.600 -0.066 0.000 1.000 490 E CA 1.433 57.844 56.400 0.020 0.000 0.804 490 E CB -0.105 29.664 29.700 0.115 0.000 0.740 490 E HN 0.561 nan 8.360 nan 0.000 0.454 491 Q N 0.272 120.033 119.800 -0.065 0.000 1.990 491 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 491 Q C 2.492 178.366 176.000 -0.210 0.000 0.980 491 Q CA 1.038 56.791 55.803 -0.083 0.000 0.832 491 Q CB -0.191 28.542 28.738 -0.009 0.000 0.897 491 Q HN 0.322 nan 8.270 nan 0.000 0.427 492 L N 0.606 121.572 121.223 -0.427 0.000 2.079 492 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 492 L C 2.482 179.099 176.870 -0.421 0.000 1.081 492 L CA 1.657 56.202 54.840 -0.492 0.000 0.752 492 L CB -0.713 40.916 42.059 -0.717 0.000 0.896 492 L HN 0.428 nan 8.230 nan 0.000 0.433 493 T N -4.094 110.188 114.554 -0.453 0.000 3.107 493 T HA 0.224 4.574 4.350 -0.000 0.000 0.249 493 T C 1.413 175.982 174.700 -0.218 0.000 1.096 493 T CA 0.357 62.217 62.100 -0.401 0.000 1.012 493 T CB 0.434 69.003 68.868 -0.498 0.000 0.977 493 T HN 0.464 nan 8.240 nan 0.000 0.527 494 G N 1.207 109.911 108.800 -0.161 0.000 2.187 494 G HA2 0.018 3.978 3.960 -0.000 0.000 0.261 494 G HA3 0.018 3.978 3.960 -0.000 0.000 0.261 494 G C 1.103 175.956 174.900 -0.078 0.000 1.000 494 G CA 0.373 45.419 45.100 -0.090 0.000 0.718 494 G HN 1.788 nan 8.290 nan 0.000 0.519 495 G N -1.595 107.145 108.800 -0.100 0.000 2.153 495 G HA2 0.016 3.976 3.960 -0.000 0.000 0.252 495 G HA3 0.016 3.976 3.960 -0.000 0.000 0.252 495 G C 0.465 175.305 174.900 -0.100 0.000 0.994 495 G CA 1.332 46.377 45.100 -0.091 0.000 0.698 495 G HN 2.194 nan 8.290 nan 0.000 0.521 496 S N -0.757 114.878 115.700 -0.109 0.000 2.438 496 S HA 0.613 5.083 4.470 -0.000 0.000 0.293 496 S C 1.485 176.028 174.600 -0.096 0.000 1.141 496 S CA -0.078 58.070 58.200 -0.087 0.000 1.080 496 S CB 1.282 64.439 63.200 -0.071 0.000 0.978 496 S HN 0.380 nan 8.310 nan 0.000 0.479 497 R N 3.254 123.706 120.500 -0.080 0.000 2.081 497 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 497 R C 2.122 178.401 176.300 -0.035 0.000 1.131 497 R CA 2.298 58.356 56.100 -0.069 0.000 0.960 497 R CB -0.523 29.742 30.300 -0.058 0.000 0.856 497 R HN 0.885 nan 8.270 nan 0.000 0.436 498 E N 0.156 120.341 120.200 -0.026 0.000 2.085 498 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 498 E C 1.619 178.225 176.600 0.009 0.000 0.994 498 E CA 1.637 58.035 56.400 -0.004 0.000 0.801 498 E CB -0.348 29.351 29.700 -0.003 0.000 0.743 498 E HN 0.270 nan 8.360 nan 0.000 0.453 499 I N 0.490 121.049 120.570 -0.018 0.000 2.252 499 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 499 I C 2.472 178.600 176.117 0.018 0.000 1.102 499 I CA 1.414 62.703 61.300 -0.018 0.000 1.385 499 I CB -0.914 37.034 38.000 -0.087 0.000 1.064 499 I HN 0.324 nan 8.210 nan 0.000 0.414 500 M N -0.347 119.243 119.600 -0.016 0.000 2.202 500 M HA -0.228 4.252 4.480 -0.000 0.000 0.262 500 M C 2.379 178.812 176.300 0.223 0.000 1.063 500 M CA 1.676 57.033 55.300 0.097 0.000 1.097 500 M CB -0.352 32.269 32.600 0.035 0.000 1.382 500 M HN 0.145 nan 8.290 nan 0.000 0.413 501 R N 0.128 120.698 120.500 0.118 0.000 2.055 501 R HA -0.067 4.273 4.340 -0.000 0.000 0.221 501 R C 2.405 178.769 176.300 0.108 0.000 1.154 501 R CA 1.679 57.831 56.100 0.087 0.000 0.975 501 R CB -0.267 30.052 30.300 0.031 0.000 0.869 501 R HN 0.323 nan 8.270 nan 0.000 0.437 502 S N 0.120 115.894 115.700 0.123 0.000 2.423 502 S HA -0.030 4.440 4.470 -0.000 0.000 0.231 502 S C 1.476 176.260 174.600 0.307 0.000 1.014 502 S CA 0.494 58.809 58.200 0.191 0.000 0.965 502 S CB -0.038 63.243 63.200 0.135 0.000 0.785 502 S HN 0.273 nan 8.310 nan 0.000 0.495 503 R N 1.443 122.113 120.500 0.283 0.000 2.359 503 R HA 0.387 4.727 4.340 -0.000 0.000 0.231 503 R C -0.151 176.425 176.300 0.460 0.000 0.913 503 R CA -0.009 56.303 56.100 0.353 0.000 1.075 503 R CB -0.535 29.984 30.300 0.365 0.000 1.087 503 R HN 0.326 nan 8.270 nan 0.000 0.515 504 S N 3.006 118.917 115.700 0.351 0.000 2.452 504 S HA 0.200 4.670 4.470 -0.000 0.000 0.284 504 S C -1.574 173.103 174.600 0.128 0.000 1.171 504 S CA -1.190 57.132 58.200 0.203 0.000 1.064 504 S CB 1.772 65.038 63.200 0.110 0.000 0.967 504 S HN 0.031 nan 8.310 nan 0.000 0.484 505 P HA -0.051 nan 4.420 nan 0.000 0.222 505 P C 1.325 178.616 177.300 -0.015 0.000 1.147 505 P CA 0.549 63.676 63.100 0.046 0.000 0.790 505 P CB 0.073 31.724 31.700 -0.082 0.000 0.780 506 I N -0.100 120.431 120.570 -0.065 0.000 2.657 506 I HA -0.181 3.988 4.170 -0.000 0.000 0.261 506 I C 1.051 177.090 176.117 -0.131 0.000 1.212 506 I CA 1.151 62.391 61.300 -0.100 0.000 1.453 506 I CB -0.170 37.769 38.000 -0.103 0.000 1.092 506 I HN -0.122 nan 8.210 nan 0.000 0.452 507 N N -0.375 118.204 118.700 -0.203 0.000 2.322 507 N HA 0.034 4.774 4.740 -0.000 0.000 0.194 507 N C 0.063 175.230 175.510 -0.571 0.000 1.126 507 N CA 0.476 53.303 53.050 -0.372 0.000 0.845 507 N CB 0.058 38.282 38.487 -0.438 0.000 0.976 507 N HN 0.550 nan 8.380 nan 0.000 0.475 508 H N -1.415 117.630 119.070 -0.042 0.000 2.665 508 H HA 0.251 4.807 4.556 -0.000 0.000 0.248 508 H C 1.321 176.620 175.328 -0.049 0.000 1.175 508 H CA -0.173 55.851 56.048 -0.041 0.000 0.952 508 H CB 0.625 30.361 29.762 -0.043 0.000 1.883 508 H HN -0.149 nan 8.280 nan 0.000 0.623 509 V N 0.294 120.211 119.914 0.004 0.000 2.490 509 V HA -0.237 3.883 4.120 -0.000 0.000 0.250 509 V C 1.938 178.028 176.094 -0.006 0.000 1.061 509 V CA 1.908 64.195 62.300 -0.023 0.000 1.064 509 V CB -0.081 31.700 31.823 -0.070 0.000 0.670 509 V HN 0.562 nan 8.190 nan 0.000 0.461 510 D N 0.044 120.446 120.400 0.003 0.000 2.218 510 D HA -0.108 4.532 4.640 -0.000 0.000 0.204 510 D C 2.419 178.729 176.300 0.018 0.000 0.976 510 D CA 0.720 54.725 54.000 0.008 0.000 0.853 510 D CB 0.019 40.823 40.800 0.008 0.000 0.939 510 D HN 0.275 nan 8.370 nan 0.000 0.481 511 R N -0.281 120.237 120.500 0.030 0.000 2.235 511 R HA 0.093 4.433 4.340 -0.000 0.000 0.213 511 R C 1.239 177.548 176.300 0.014 0.000 1.059 511 R CA -0.040 56.072 56.100 0.020 0.000 0.997 511 R CB -0.772 29.538 30.300 0.018 0.000 0.884 511 R HN 0.318 nan 8.270 nan 0.000 0.462 512 I N 2.009 122.589 120.570 0.016 0.000 2.598 512 I HA 0.025 4.195 4.170 -0.000 0.000 0.284 512 I C 1.193 177.329 176.117 0.031 0.000 1.140 512 I CA 0.517 61.829 61.300 0.021 0.000 1.420 512 I CB 0.740 38.748 38.000 0.014 0.000 1.387 512 I HN -0.004 nan 8.210 nan 0.000 0.553 513 K N 4.386 124.810 120.400 0.040 0.000 2.450 513 K HA 0.270 4.590 4.320 -0.000 0.000 0.206 513 K C -0.041 176.598 176.600 0.065 0.000 1.148 513 K CA 0.126 56.440 56.287 0.045 0.000 1.014 513 K CB 0.608 33.127 32.500 0.031 0.000 0.966 513 K HN 0.506 nan 8.250 nan 0.000 0.566 514 E N 1.204 121.454 120.200 0.084 0.000 2.221 514 E HA 0.308 4.658 4.350 -0.000 0.000 0.268 514 E C -2.685 174.009 176.600 0.156 0.000 0.933 514 E CA -2.324 54.147 56.400 0.118 0.000 0.809 514 E CB 1.142 30.924 29.700 0.137 0.000 1.190 514 E HN -0.189 nan 8.360 nan 0.000 0.406 515 P HA 0.011 nan 4.420 nan 0.000 0.265 515 P C -1.198 176.322 177.300 0.366 0.000 1.193 515 P CA -0.122 63.158 63.100 0.300 0.000 0.765 515 P CB 0.331 32.233 31.700 0.338 0.000 0.823 516 L N 2.911 124.286 121.223 0.253 0.000 2.385 516 L HA 0.752 5.092 4.340 -0.000 0.000 0.273 516 L C -1.086 175.659 176.870 -0.208 0.000 0.990 516 L CA -0.938 53.934 54.840 0.054 0.000 0.821 516 L CB 1.668 43.752 42.059 0.042 0.000 1.279 516 L HN 0.403 nan 8.230 nan 0.000 0.412 517 A N 6.086 128.534 122.820 -0.620 0.000 2.303 517 A HA 0.767 5.087 4.320 -0.000 0.000 0.320 517 A C -1.189 176.212 177.584 -0.305 0.000 1.192 517 A CA -0.512 51.119 52.037 -0.676 0.000 0.821 517 A CB 0.526 18.725 19.000 -1.335 0.000 1.188 517 A HN 0.723 nan 8.150 nan 0.000 0.492 518 L N 3.253 124.402 121.223 -0.123 0.000 2.307 518 L HA 0.588 4.928 4.340 -0.000 0.000 0.284 518 L C -0.737 176.144 176.870 0.019 0.000 1.023 518 L CA -0.243 54.564 54.840 -0.055 0.000 0.810 518 L CB 1.375 43.431 42.059 -0.006 0.000 1.231 518 L HN 0.576 nan 8.230 nan 0.000 0.423 519 I N 2.241 122.817 120.570 0.010 0.000 2.466 519 I HA 0.408 4.578 4.170 -0.000 0.000 0.289 519 I C -1.025 175.155 176.117 0.105 0.000 1.026 519 I CA -0.480 60.871 61.300 0.085 0.000 1.078 519 I CB 1.996 40.037 38.000 0.069 0.000 1.249 519 I HN 0.574 nan 8.210 nan 0.000 0.429 520 H N 6.229 125.325 119.070 0.044 0.000 3.042 520 H HA 0.366 4.922 4.556 -0.001 0.000 0.345 520 H C -2.805 172.550 175.328 0.046 0.000 1.052 520 H CA -1.233 54.836 56.048 0.035 0.000 1.311 520 H CB 2.856 32.623 29.762 0.007 0.000 1.810 520 H HN 0.225 nan 8.280 nan 0.000 0.505 521 P HA 0.038 nan 4.420 nan 0.000 0.281 521 P C 0.182 177.575 177.300 0.154 0.000 1.252 521 P CA -0.342 62.803 63.100 0.075 0.000 0.778 521 P CB 1.198 32.908 31.700 0.016 0.000 0.895 522 Q N 2.695 122.563 119.800 0.113 0.000 2.224 522 Q HA -0.129 4.210 4.340 -0.000 0.000 0.203 522 Q C 0.415 176.464 176.000 0.082 0.000 0.970 522 Q CA 1.449 57.311 55.803 0.099 0.000 0.865 522 Q CB -0.508 28.265 28.738 0.058 0.000 0.922 522 Q HN 0.270 nan 8.270 nan 0.000 0.445 523 N N 1.163 119.903 118.700 0.068 0.000 2.251 523 N HA 0.054 4.794 4.740 -0.000 0.000 0.217 523 N C -0.878 174.661 175.510 0.048 0.000 1.124 523 N CA 0.006 53.083 53.050 0.045 0.000 0.843 523 N CB 0.262 38.767 38.487 0.029 0.000 1.024 523 N HN 0.275 nan 8.380 nan 0.000 0.501 524 D N 0.934 121.384 120.400 0.083 0.000 2.472 524 D HA -0.034 4.606 4.640 -0.000 0.000 0.248 524 D C 0.907 177.214 176.300 0.012 0.000 1.174 524 D CA 0.452 54.500 54.000 0.081 0.000 0.883 524 D CB 0.751 41.635 40.800 0.139 0.000 1.149 524 D HN 0.214 nan 8.370 nan 0.000 0.488 525 S N 3.339 119.008 115.700 -0.052 0.000 2.539 525 S HA 0.150 4.620 4.470 -0.000 0.000 0.221 525 S C 1.367 175.767 174.600 -0.333 0.000 0.987 525 S CA -0.394 57.731 58.200 -0.126 0.000 0.929 525 S CB 0.581 63.732 63.200 -0.081 0.000 0.832 525 S HN 0.411 nan 8.310 nan 0.000 0.492 526 R N 1.837 122.072 120.500 -0.441 0.000 2.062 526 R HA 0.115 4.455 4.340 -0.000 0.000 0.218 526 R C 0.299 176.271 176.300 -0.546 0.000 1.161 526 R CA 1.390 56.955 56.100 -0.892 0.000 0.994 526 R CB -0.582 29.196 30.300 -0.870 0.000 0.888 526 R HN 0.523 nan 8.270 nan 0.000 0.442 527 T N 1.499 115.884 114.554 -0.282 0.000 3.042 527 T HA 0.360 4.710 4.350 -0.000 0.000 0.356 527 T C -2.574 172.205 174.700 0.133 0.000 1.233 527 T CA -2.195 59.870 62.100 -0.058 0.000 1.038 527 T CB 1.589 70.484 68.868 0.046 0.000 1.089 527 T HN -0.055 nan 8.240 nan 0.000 0.531 528 P HA 0.138 nan 4.420 nan 0.000 0.274 528 P C 0.912 178.207 177.300 -0.008 0.000 1.237 528 P CA -0.749 62.375 63.100 0.040 0.000 0.793 528 P CB 1.153 32.831 31.700 -0.036 0.000 0.977 529 L N 2.517 123.711 121.223 -0.049 0.000 2.141 529 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 529 L C 2.530 179.264 176.870 -0.227 0.000 1.094 529 L CA 1.923 56.609 54.840 -0.257 0.000 0.763 529 L CB -1.091 40.923 42.059 -0.075 0.000 0.908 529 L HN 0.346 nan 8.230 nan 0.000 0.437 530 K N -0.296 120.029 120.400 -0.126 0.000 2.034 530 K HA -0.177 4.143 4.320 -0.000 0.000 0.214 530 K C -0.535 175.992 176.600 -0.122 0.000 1.051 530 K CA 2.180 58.407 56.287 -0.101 0.000 0.931 530 K CB -1.080 31.383 32.500 -0.062 0.000 0.715 530 K HN 0.314 nan 8.250 nan 0.000 0.446 531 P HA -0.150 nan 4.420 nan 0.000 0.218 531 P C 1.302 178.495 177.300 -0.179 0.000 1.149 531 P CA 0.871 63.890 63.100 -0.134 0.000 0.817 531 P CB 0.006 31.633 31.700 -0.123 0.000 0.785 532 L N -0.750 120.318 121.223 -0.258 0.000 2.042 532 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 532 L C 2.323 179.066 176.870 -0.212 0.000 1.076 532 L CA 1.681 56.348 54.840 -0.287 0.000 0.749 532 L CB -1.133 40.626 42.059 -0.501 0.000 0.893 532 L HN -0.151 nan 8.230 nan 0.000 0.432 533 L N -1.115 120.002 121.223 -0.175 0.000 2.083 533 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 533 L C 2.738 179.536 176.870 -0.119 0.000 1.083 533 L CA 1.337 56.105 54.840 -0.120 0.000 0.752 533 L CB -0.578 41.428 42.059 -0.088 0.000 0.899 533 L HN 0.281 nan 8.230 nan 0.000 0.433 534 R N 0.177 120.603 120.500 -0.123 0.000 2.090 534 R HA -0.165 4.175 4.340 -0.000 0.000 0.228 534 R C 2.315 178.528 176.300 -0.146 0.000 1.110 534 R CA 1.037 57.069 56.100 -0.113 0.000 0.973 534 R CB -0.144 30.098 30.300 -0.096 0.000 0.869 534 R HN 0.167 nan 8.270 nan 0.000 0.440 535 L N 0.749 121.866 121.223 -0.176 0.000 2.046 535 L HA -0.154 4.185 4.340 -0.000 0.000 0.208 535 L C 2.041 178.715 176.870 -0.326 0.000 1.077 535 L CA 1.792 56.499 54.840 -0.221 0.000 0.747 535 L CB -0.241 41.688 42.059 -0.217 0.000 0.896 535 L HN 0.230 nan 8.230 nan 0.000 0.432 536 M N -1.130 118.260 119.600 -0.350 0.000 2.159 536 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 536 M C 2.127 178.223 176.300 -0.339 0.000 1.063 536 M CA 1.627 56.613 55.300 -0.524 0.000 1.110 536 M CB -1.013 31.451 32.600 -0.228 0.000 1.374 536 M HN 0.483 nan 8.290 nan 0.000 0.411 537 G N -0.164 108.529 108.800 -0.179 0.000 2.422 537 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.218 537 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.218 537 G C 1.487 176.319 174.900 -0.113 0.000 1.140 537 G CA 0.550 45.590 45.100 -0.101 0.000 0.775 537 G HN 0.340 nan 8.290 nan 0.000 0.545 538 E N 0.358 120.464 120.200 -0.156 0.000 2.072 538 E HA 0.015 4.364 4.350 -0.000 0.000 0.190 538 E C 2.731 179.244 176.600 -0.146 0.000 0.982 538 E CA 0.312 56.633 56.400 -0.133 0.000 0.803 538 E CB -0.276 29.343 29.700 -0.134 0.000 0.755 538 E HN 0.424 nan 8.360 nan 0.000 0.453 539 L N 0.604 121.668 121.223 -0.265 0.000 2.012 539 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 539 L C 2.610 179.442 176.870 -0.063 0.000 1.073 539 L CA 0.736 55.418 54.840 -0.263 0.000 0.748 539 L CB -0.544 41.089 42.059 -0.710 0.000 0.891 539 L HN 0.148 nan 8.230 nan 0.000 0.431 540 L N 0.364 121.570 121.223 -0.028 0.000 1.976 540 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 540 L C 2.617 179.521 176.870 0.056 0.000 1.071 540 L CA 2.186 57.105 54.840 0.130 0.000 0.746 540 L CB -0.860 41.282 42.059 0.137 0.000 0.890 540 L HN 0.146 nan 8.230 nan 0.000 0.432 541 A N -0.681 122.145 122.820 0.009 0.000 2.019 541 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 541 A C 2.253 179.839 177.584 0.004 0.000 1.164 541 A CA 1.715 53.754 52.037 0.003 0.000 0.644 541 A CB -0.554 18.437 19.000 -0.015 0.000 0.805 541 A HN 0.575 nan 8.150 nan 0.000 0.449 542 R N -1.527 118.974 120.500 0.001 0.000 2.427 542 R HA 0.272 4.612 4.340 -0.000 0.000 0.262 542 R C 1.020 177.335 176.300 0.025 0.000 0.943 542 R CA 0.444 56.546 56.100 0.004 0.000 1.081 542 R CB 0.074 30.367 30.300 -0.012 0.000 1.166 542 R HN 0.596 nan 8.270 nan 0.000 0.534 543 G N 1.950 110.776 108.800 0.045 0.000 2.198 543 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 543 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 543 G C -0.275 174.672 174.900 0.078 0.000 1.025 543 G CA 0.082 45.218 45.100 0.059 0.000 0.769 543 G HN 0.063 nan 8.290 nan 0.000 0.507 544 K N 0.818 121.278 120.400 0.101 0.000 2.174 544 K HA 0.435 4.755 4.320 -0.000 0.000 0.275 544 K C 0.666 177.397 176.600 0.219 0.000 1.015 544 K CA -0.313 56.049 56.287 0.124 0.000 0.933 544 K CB 0.808 33.358 32.500 0.082 0.000 1.025 544 K HN 0.117 nan 8.250 nan 0.000 0.463 545 T N 4.369 119.028 114.554 0.174 0.000 2.829 545 T HA 0.252 4.601 4.350 -0.000 0.000 0.293 545 T C -0.022 174.851 174.700 0.288 0.000 0.970 545 T CA 0.263 62.470 62.100 0.178 0.000 1.168 545 T CB -0.670 68.280 68.868 0.137 0.000 0.911 545 T HN 0.465 nan 8.240 nan 0.000 0.535 546 F N 0.727 120.695 119.950 0.030 0.000 2.654 546 F HA 0.723 5.250 4.527 -0.000 0.000 0.308 546 F C -0.934 174.856 175.800 -0.017 0.000 1.108 546 F CA -1.298 56.702 58.000 -0.000 0.000 0.957 546 F CB 1.599 40.576 39.000 -0.040 0.000 1.309 546 F HN 0.412 nan 8.300 nan 0.000 0.446 547 E N 2.099 122.251 120.200 -0.081 0.000 2.227 547 E HA 0.821 5.171 4.350 -0.000 0.000 0.268 547 E C -1.654 174.880 176.600 -0.110 0.000 0.907 547 E CA -1.236 55.048 56.400 -0.194 0.000 0.786 547 E CB 2.118 31.783 29.700 -0.058 0.000 1.191 547 E HN 1.088 nan 8.360 nan 0.000 0.411 548 A N 3.897 126.557 122.820 -0.267 0.000 2.486 548 A HA 0.560 4.880 4.320 -0.000 0.000 0.300 548 A C -1.639 175.653 177.584 -0.487 0.000 1.048 548 A CA -0.665 51.270 52.037 -0.170 0.000 0.696 548 A CB 1.327 20.362 19.000 0.058 0.000 1.278 548 A HN 0.715 nan 8.150 nan 0.000 0.405 549 H N 1.899 120.982 119.070 0.023 0.000 2.924 549 H HA 0.398 4.954 4.556 -0.001 0.000 0.333 549 H C -1.328 174.028 175.328 0.046 0.000 0.979 549 H CA -0.212 55.851 56.048 0.025 0.000 1.326 549 H CB 1.423 31.192 29.762 0.012 0.000 1.600 549 H HN 0.532 nan 8.280 nan 0.000 0.520 550 I N 4.405 125.049 120.570 0.123 0.000 2.354 550 I HA 0.192 4.362 4.170 -0.000 0.000 0.292 550 I C -0.043 176.132 176.117 0.096 0.000 0.989 550 I CA -0.782 60.583 61.300 0.110 0.000 1.188 550 I CB 1.321 39.364 38.000 0.071 0.000 1.342 550 I HN 0.295 nan 8.210 nan 0.000 0.457 551 I N 9.076 129.701 120.570 0.090 0.000 2.353 551 I HA 0.315 4.485 4.170 -0.000 0.000 0.293 551 I C -2.098 174.050 176.117 0.052 0.000 0.992 551 I CA -1.896 59.441 61.300 0.062 0.000 1.268 551 I CB 0.828 38.856 38.000 0.048 0.000 1.387 551 I HN 0.330 nan 8.210 nan 0.000 0.478 552 P HA 0.178 nan 4.420 nan 0.000 0.282 552 P C -0.739 176.577 177.300 0.027 0.000 1.249 552 P CA -0.131 62.988 63.100 0.032 0.000 0.806 552 P CB 0.754 32.470 31.700 0.026 0.000 0.984 553 D N -1.036 119.379 120.400 0.026 0.000 2.708 553 D HA -0.150 4.490 4.640 -0.000 0.000 0.236 553 D C -0.158 176.157 176.300 0.024 0.000 1.146 553 D CA 1.651 55.664 54.000 0.021 0.000 0.662 553 D CB -1.453 39.356 40.800 0.016 0.000 1.059 553 D HN 0.652 nan 8.370 nan 0.000 0.428 554 A N -1.129 121.709 122.820 0.031 0.000 2.587 554 A HA 0.868 5.187 4.320 -0.000 0.000 0.293 554 A C 0.500 178.109 177.584 0.042 0.000 1.087 554 A CA -0.001 52.056 52.037 0.033 0.000 0.692 554 A CB 2.044 21.060 19.000 0.027 0.000 1.291 554 A HN 0.277 nan 8.150 nan 0.000 0.407 555 G N -1.176 107.653 108.800 0.048 0.000 3.257 555 G HA2 0.434 4.394 3.960 -0.000 0.000 0.205 555 G HA3 0.434 4.394 3.960 -0.000 0.000 0.205 555 G C 0.349 175.299 174.900 0.084 0.000 1.234 555 G CA 0.195 45.335 45.100 0.068 0.000 0.918 555 G HN 0.858 nan 8.290 nan 0.000 0.602 556 H N -0.337 118.738 119.070 0.008 0.000 2.428 556 H HA 0.358 4.914 4.556 -0.000 0.000 0.296 556 H C 1.581 176.939 175.328 0.049 0.000 1.062 556 H CA 1.301 57.357 56.048 0.013 0.000 1.350 556 H CB 0.033 29.808 29.762 0.021 0.000 1.403 556 H HN 0.464 nan 8.280 nan 0.000 0.533 557 A N 1.282 124.197 122.820 0.158 0.000 2.294 557 A HA 0.349 4.669 4.320 -0.000 0.000 0.316 557 A C -0.602 177.029 177.584 0.077 0.000 1.359 557 A CA -0.536 51.577 52.037 0.126 0.000 0.956 557 A CB -0.207 18.903 19.000 0.182 0.000 1.155 557 A HN 0.221 nan 8.150 nan 0.000 0.544 558 I N 3.690 124.281 120.570 0.035 0.000 2.371 558 I HA 0.149 4.319 4.170 -0.000 0.000 0.290 558 I C 0.475 176.631 176.117 0.064 0.000 1.028 558 I CA -0.095 61.221 61.300 0.026 0.000 1.345 558 I CB 0.854 38.837 38.000 -0.029 0.000 1.407 558 I HN 0.836 nan 8.210 nan 0.000 0.501 559 N N 3.366 122.127 118.700 0.101 0.000 2.184 559 N HA 0.023 4.763 4.740 -0.000 0.000 0.234 559 N C -0.178 175.452 175.510 0.199 0.000 1.282 559 N CA -0.305 52.841 53.050 0.160 0.000 0.877 559 N CB 0.711 39.261 38.487 0.106 0.000 1.184 559 N HN 0.571 nan 8.380 nan 0.000 0.510 560 T N -3.809 110.863 114.554 0.197 0.000 2.896 560 T HA 0.362 4.712 4.350 -0.000 0.000 0.297 560 T C 0.991 175.847 174.700 0.261 0.000 1.108 560 T CA -0.824 61.389 62.100 0.187 0.000 1.004 560 T CB 2.079 70.983 68.868 0.060 0.000 1.159 560 T HN -0.025 nan 8.240 nan 0.000 0.499 561 M N 0.801 120.587 119.600 0.310 0.000 2.117 561 M HA -0.034 4.446 4.480 -0.000 0.000 0.262 561 M C 1.900 178.243 176.300 0.071 0.000 1.065 561 M CA 1.779 57.238 55.300 0.264 0.000 1.114 561 M CB -0.316 32.420 32.600 0.227 0.000 1.361 561 M HN 0.813 nan 8.290 nan 0.000 0.408 562 E N 0.021 120.247 120.200 0.043 0.000 2.152 562 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 562 E C 1.375 177.967 176.600 -0.014 0.000 0.983 562 E CA 1.112 57.514 56.400 0.002 0.000 0.818 562 E CB -0.038 29.662 29.700 0.000 0.000 0.758 562 E HN 0.619 nan 8.360 nan 0.000 0.467 563 D N 0.487 120.886 120.400 -0.001 0.000 2.194 563 D HA -0.041 4.599 4.640 -0.000 0.000 0.204 563 D C 1.852 178.119 176.300 -0.056 0.000 0.964 563 D CA 0.871 54.862 54.000 -0.016 0.000 0.846 563 D CB -0.128 40.674 40.800 0.005 0.000 0.962 563 D HN 0.102 nan 8.370 nan 0.000 0.490 564 A N 0.741 123.518 122.820 -0.072 0.000 1.902 564 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 564 A C 2.472 179.937 177.584 -0.198 0.000 1.181 564 A CA 1.184 53.118 52.037 -0.171 0.000 0.623 564 A CB -0.737 18.128 19.000 -0.225 0.000 0.818 564 A HN 0.139 nan 8.150 nan 0.000 0.443 565 V N 0.026 119.854 119.914 -0.145 0.000 2.343 565 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 565 V C 2.390 178.385 176.094 -0.166 0.000 1.051 565 V CA 2.311 64.514 62.300 -0.161 0.000 1.036 565 V CB -0.645 31.108 31.823 -0.117 0.000 0.654 565 V HN 0.539 nan 8.190 nan 0.000 0.451 566 K N -0.480 119.851 120.400 -0.116 0.000 2.209 566 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 566 K C 1.914 178.461 176.600 -0.088 0.000 1.048 566 K CA 1.040 57.269 56.287 -0.097 0.000 0.940 566 K CB -0.076 32.397 32.500 -0.045 0.000 0.729 566 K HN 0.340 nan 8.250 nan 0.000 0.451 567 I N 0.095 120.613 120.570 -0.086 0.000 2.585 567 I HA -0.126 4.044 4.170 -0.000 0.000 0.254 567 I C 2.008 178.114 176.117 -0.019 0.000 1.129 567 I CA 0.842 62.130 61.300 -0.018 0.000 1.455 567 I CB -0.352 37.618 38.000 -0.050 0.000 1.111 567 I HN 0.137 nan 8.210 nan 0.000 0.433 568 L N 0.042 121.163 121.223 -0.170 0.000 2.286 568 L HA 0.078 4.417 4.340 -0.000 0.000 0.203 568 L C 2.111 178.868 176.870 -0.189 0.000 1.068 568 L CA 1.083 55.805 54.840 -0.196 0.000 0.811 568 L CB -0.660 41.151 42.059 -0.415 0.000 0.989 568 L HN -0.006 nan 8.230 nan 0.000 0.467 569 L N 1.265 122.319 121.223 -0.282 0.000 1.997 569 L HA -0.149 4.191 4.340 -0.000 0.000 0.216 569 L C -0.639 175.916 176.870 -0.526 0.000 1.074 569 L CA 2.557 57.121 54.840 -0.461 0.000 0.763 569 L CB -1.731 39.993 42.059 -0.558 0.000 0.890 569 L HN 0.227 nan 8.230 nan 0.000 0.434 570 P HA -0.123 nan 4.420 nan 0.000 0.218 570 P C 1.443 178.698 177.300 -0.074 0.000 1.149 570 P CA 1.943 64.826 63.100 -0.362 0.000 0.817 570 P CB -0.224 31.050 31.700 -0.711 0.000 0.785 571 A N 0.148 122.952 122.820 -0.028 0.000 1.877 571 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 571 A C 2.437 180.077 177.584 0.094 0.000 1.186 571 A CA 2.122 54.204 52.037 0.075 0.000 0.620 571 A CB -1.695 17.398 19.000 0.156 0.000 0.822 571 A HN 0.066 nan 8.150 nan 0.000 0.443 572 V N -0.963 118.976 119.914 0.041 0.000 2.358 572 V HA -0.201 3.918 4.120 -0.000 0.000 0.246 572 V C 2.346 178.589 176.094 0.248 0.000 1.047 572 V CA 1.721 64.067 62.300 0.077 0.000 1.035 572 V CB -1.040 30.822 31.823 0.066 0.000 0.658 572 V HN 0.489 nan 8.190 nan 0.000 0.452 573 F N -0.050 119.921 119.950 0.036 0.000 2.095 573 F HA -0.164 4.362 4.527 -0.001 0.000 0.298 573 F C 2.277 178.122 175.800 0.075 0.000 1.104 573 F CA 1.309 59.337 58.000 0.048 0.000 1.232 573 F CB -1.263 37.757 39.000 0.033 0.000 0.987 573 F HN 0.237 nan 8.300 nan 0.000 0.475 574 F N 0.484 120.535 119.950 0.168 0.000 2.102 574 F HA -0.202 4.325 4.527 -0.001 0.000 0.298 574 F C 2.104 177.897 175.800 -0.011 0.000 1.105 574 F CA 1.610 59.655 58.000 0.075 0.000 1.239 574 F CB -0.635 38.399 39.000 0.056 0.000 0.991 574 F HN -0.120 nan 8.300 nan 0.000 0.474 575 L N -0.165 121.005 121.223 -0.088 0.000 2.093 575 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 575 L C 2.787 179.574 176.870 -0.138 0.000 1.085 575 L CA 1.020 55.607 54.840 -0.422 0.000 0.755 575 L CB -1.152 40.489 42.059 -0.697 0.000 0.904 575 L HN 0.246 nan 8.230 nan 0.000 0.435 576 A N -0.527 122.356 122.820 0.105 0.000 1.972 576 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 576 A C 2.349 179.935 177.584 0.003 0.000 1.169 576 A CA 2.219 54.355 52.037 0.166 0.000 0.635 576 A CB -0.767 18.323 19.000 0.150 0.000 0.810 576 A HN 0.365 nan 8.150 nan 0.000 0.446 577 T N -0.284 114.230 114.554 -0.068 0.000 2.857 577 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 577 T C 2.045 176.668 174.700 -0.128 0.000 1.048 577 T CA 1.320 63.358 62.100 -0.104 0.000 1.139 577 T CB -0.169 68.637 68.868 -0.103 0.000 0.874 577 T HN 0.431 nan 8.240 nan 0.000 0.455 578 Q N 0.801 120.465 119.800 -0.226 0.000 2.167 578 Q HA 0.020 4.360 4.340 -0.000 0.000 0.202 578 Q C 2.327 178.356 176.000 0.049 0.000 0.970 578 Q CA 0.941 56.654 55.803 -0.150 0.000 0.855 578 Q CB -0.266 28.317 28.738 -0.259 0.000 0.911 578 Q HN 0.445 nan 8.270 nan 0.000 0.438 579 R N 0.963 121.500 120.500 0.062 0.000 2.237 579 R HA -0.091 4.249 4.340 -0.000 0.000 0.219 579 R C 1.483 177.809 176.300 0.042 0.000 1.080 579 R CA 0.767 56.942 56.100 0.125 0.000 0.995 579 R CB 0.236 30.582 30.300 0.076 0.000 0.875 579 R HN 0.285 nan 8.270 nan 0.000 0.462 580 E N -0.116 120.086 120.200 0.004 0.000 2.216 580 E HA -0.008 4.342 4.350 -0.000 0.000 0.192 580 E C -0.019 176.582 176.600 0.001 0.000 0.988 580 E CA 0.547 56.941 56.400 -0.010 0.000 0.834 580 E CB 0.268 29.951 29.700 -0.028 0.000 0.772 580 E HN 0.150 nan 8.360 nan 0.000 0.479 581 R N 0.000 120.506 120.500 0.010 0.000 2.786 581 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 581 R CA 0.000 56.112 56.100 0.020 0.000 0.921 581 R CB 0.000 30.309 30.300 0.015 0.000 0.687 581 R HN 0.000 nan 8.270 nan 0.000 0.535