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 3ffn_1_B DATA FIRST_RESID 27 DATA SEQUENCE VEHPEFLKAG KEPGLQIWRV EKFDLVPVPT NLYGDFFTGD AYVILKTVQL DATA SEQUENCE RNGNLQYDLH YWLGNECSQD ESGAAAIFTV QLDDYLNGRA VQHREVQGFE DATA SEQUENCE SATFLGYFKS GLKYKKGGVA SGFKHVVPNE VVVQRLFQVK GRRVVRATEV DATA SEQUENCE PVSWESFNNG DCFILDLGNN IHQWCGSNSN RYERLKATQV SKGIRDNERS DATA SEQUENCE GRARVHVSEE GTEPEAMLQV LGPKPALPAG TEXXXXXXAA NRKLAKLYKV DATA SEQUENCE SNGAGTMSVS LVADENPFAQ GALKSEDCFI LDHGKDGKIF VWKGKQANTE DATA SEQUENCE ERKAALKTAS DFITKMDYPK QTQVSVLPEG GETPLFKQFF KNWRDPDQTD DATA SEQUENCE GLGLSYLSSH IANVERVPFD AATLHTSTAM AAQHGMDDDG TGQKQIWRIE DATA SEQUENCE GSNKVPVDPA TYGQFYGGDS YIILYNYRHG GRQGQIIYNW QGAQSTQDEV DATA SEQUENCE AASAILTAQL DEELGGTPVQ SRVVQGKEPA HLMSLFGGKP MIIYKGGTSR DATA SEQUENCE EGGQTAPAST RLFQVRANSA GATRAVEVLP KAGALNSNDA FVLKTPSAAY DATA SEQUENCE LWVGTGASEA EKTGAQELLR VLRAQPVQVA EGSEPDGFWE ALGGKAAYRT DATA SEQUENCE SPRLKDKKMD AHPPRLFACS NKIGRFVIEE VPGELMQEDL ATDDVMLLDT DATA SEQUENCE WDQVFVWVGK DSQEEEKTEA LTSAKRYIET DPANRDRRTP ITVVKQGFEP DATA SEQUENCE PSFVGWFLGW DDDYWSVDPL DRAMAELAA 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 27 V HA 0.000 nan 4.120 nan 0.000 0.244 27 V C 0.000 176.062 176.094 -0.053 0.000 1.182 27 V CA 0.000 62.251 62.300 -0.083 0.000 1.235 27 V CB 0.000 31.785 31.823 -0.063 0.000 1.184 28 E N -0.047 120.108 120.200 -0.076 0.000 3.769 28 E HA 0.487 4.837 4.350 -0.000 0.000 0.318 28 E C 0.472 176.914 176.600 -0.264 0.000 0.894 28 E CA -0.716 55.559 56.400 -0.207 0.000 1.973 28 E CB -0.077 29.440 29.700 -0.304 0.000 1.858 28 E HN 0.484 nan 8.360 nan 0.000 0.628 29 H N 2.248 121.001 119.070 -0.529 0.000 3.001 29 H HA -0.029 4.527 4.556 -0.000 0.000 0.334 29 H C -1.452 173.765 175.328 -0.184 0.000 1.034 29 H CA -0.664 55.148 56.048 -0.393 0.000 1.420 29 H CB 0.772 30.194 29.762 -0.567 0.000 1.405 29 H HN 0.225 nan 8.280 nan 0.000 0.593 30 P HA -0.108 nan 4.420 nan 0.000 0.228 30 P C 0.759 178.130 177.300 0.119 0.000 1.151 30 P CA 0.929 64.042 63.100 0.021 0.000 0.770 30 P CB 0.536 32.231 31.700 -0.008 0.000 0.786 31 E N -1.017 119.308 120.200 0.209 0.000 2.190 31 E HA 0.021 4.371 4.350 -0.000 0.000 0.191 31 E C 1.765 178.415 176.600 0.083 0.000 0.978 31 E CA 0.472 56.974 56.400 0.171 0.000 0.839 31 E CB -0.739 28.970 29.700 0.016 0.000 0.787 31 E HN 0.229 nan 8.360 nan 0.000 0.473 32 F N 1.132 120.903 119.950 -0.298 0.000 2.307 32 F HA -0.104 4.423 4.527 -0.000 0.000 0.301 32 F C 2.173 177.732 175.800 -0.402 0.000 1.076 32 F CA 0.765 58.445 58.000 -0.534 0.000 1.383 32 F CB -0.361 38.154 39.000 -0.809 0.000 1.055 32 F HN -0.007 nan 8.300 nan 0.000 0.526 33 L N -1.068 120.172 121.223 0.029 0.000 2.270 33 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 33 L C 1.947 178.902 176.870 0.141 0.000 1.104 33 L CA 0.885 55.789 54.840 0.108 0.000 0.804 33 L CB -0.320 41.798 42.059 0.098 0.000 0.937 33 L HN -0.036 nan 8.230 nan 0.000 0.450 34 K N 0.319 120.809 120.400 0.150 0.000 2.418 34 K HA 0.135 4.454 4.320 -0.000 0.000 0.195 34 K C 0.750 177.477 176.600 0.211 0.000 1.035 34 K CA -0.009 56.385 56.287 0.178 0.000 1.003 34 K CB 0.211 32.837 32.500 0.210 0.000 0.793 34 K HN 0.143 nan 8.250 nan 0.000 0.494 35 A N 0.805 123.745 122.820 0.200 0.000 2.409 35 A HA 0.464 4.784 4.320 -0.000 0.000 0.267 35 A C 0.932 178.610 177.584 0.156 0.000 1.127 35 A CA 0.305 52.468 52.037 0.210 0.000 0.795 35 A CB -0.327 18.673 19.000 0.000 0.000 1.061 35 A HN 0.434 nan 8.150 nan 0.000 0.502 36 G N 2.177 111.086 108.800 0.182 0.000 2.246 36 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.273 36 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.273 36 G C 0.760 175.829 174.900 0.281 0.000 1.055 36 G CA 0.638 45.894 45.100 0.260 0.000 0.851 36 G HN 0.742 nan 8.290 nan 0.000 0.500 37 K N -0.496 120.017 120.400 0.188 0.000 2.166 37 K HA 0.091 4.411 4.320 -0.000 0.000 0.201 37 K C 1.058 177.721 176.600 0.106 0.000 1.052 37 K CA 1.045 57.417 56.287 0.143 0.000 0.969 37 K CB 0.362 32.929 32.500 0.112 0.000 0.761 37 K HN 0.685 nan 8.250 nan 0.000 0.459 38 E N 0.006 120.259 120.200 0.088 0.000 2.378 38 E HA 0.283 4.633 4.350 -0.000 0.000 0.265 38 E C -2.737 173.884 176.600 0.034 0.000 0.932 38 E CA -2.333 54.093 56.400 0.044 0.000 0.795 38 E CB 1.562 31.274 29.700 0.020 0.000 1.296 38 E HN -0.149 nan 8.360 nan 0.000 0.438 39 P HA 0.271 nan 4.420 nan 0.000 0.271 39 P C -0.510 176.767 177.300 -0.038 0.000 1.220 39 P CA 0.076 63.158 63.100 -0.030 0.000 0.768 39 P CB 0.893 32.562 31.700 -0.051 0.000 0.848 40 G N 1.683 110.452 108.800 -0.051 0.000 2.325 40 G HA2 0.413 4.373 3.960 -0.000 0.000 0.295 40 G HA3 0.413 4.373 3.960 -0.000 0.000 0.295 40 G C -2.403 172.423 174.900 -0.123 0.000 1.274 40 G CA -0.556 44.497 45.100 -0.079 0.000 0.857 40 G HN 0.560 nan 8.290 nan 0.000 0.499 41 L N 0.105 121.252 121.223 -0.127 0.000 2.356 41 L HA 0.782 5.122 4.340 -0.000 0.000 0.277 41 L C -0.446 176.376 176.870 -0.081 0.000 0.996 41 L CA -0.349 54.379 54.840 -0.186 0.000 0.822 41 L CB 1.941 43.837 42.059 -0.272 0.000 1.256 41 L HN 0.625 nan 8.230 nan 0.000 0.413 42 Q N 5.279 124.950 119.800 -0.214 0.000 2.340 42 Q HA 0.667 5.007 4.340 -0.000 0.000 0.268 42 Q C -1.399 174.181 176.000 -0.700 0.000 1.031 42 Q CA -0.394 55.152 55.803 -0.429 0.000 0.804 42 Q CB 2.860 31.247 28.738 -0.586 0.000 1.286 42 Q HN 0.581 nan 8.270 nan 0.000 0.448 43 I N 1.928 121.984 120.570 -0.857 0.000 2.466 43 I HA 0.468 4.638 4.170 -0.000 0.000 0.289 43 I C -0.843 174.977 176.117 -0.495 0.000 1.026 43 I CA -0.694 60.230 61.300 -0.626 0.000 1.078 43 I CB 1.242 38.761 38.000 -0.802 0.000 1.249 43 I HN 0.392 nan 8.210 nan 0.000 0.429 44 W N 5.195 126.545 121.300 0.085 0.000 2.706 44 W HA 0.548 5.208 4.660 -0.000 0.000 0.346 44 W C -0.140 176.448 176.519 0.115 0.000 1.071 44 W CA -0.799 56.584 57.345 0.064 0.000 1.206 44 W CB 2.099 31.537 29.460 -0.038 0.000 1.413 44 W HN 0.340 nan 8.180 nan 0.000 0.542 45 R N 1.362 121.993 120.500 0.219 0.000 2.445 45 R HA 0.470 4.810 4.340 -0.000 0.000 0.308 45 R C -1.103 175.190 176.300 -0.011 0.000 0.961 45 R CA -0.454 55.568 56.100 -0.130 0.000 0.862 45 R CB 1.726 31.851 30.300 -0.290 0.000 1.144 45 R HN 0.315 nan 8.270 nan 0.000 0.447 46 V N 4.877 124.789 119.914 -0.002 0.000 2.415 46 V HA 0.095 4.215 4.120 -0.000 0.000 0.267 46 V C -0.056 176.098 176.094 0.100 0.000 1.042 46 V CA 0.368 62.727 62.300 0.099 0.000 1.000 46 V CB 0.589 32.549 31.823 0.229 0.000 1.015 46 V HN 0.758 nan 8.190 nan 0.000 0.478 47 E N 4.572 124.841 120.200 0.115 0.000 2.186 47 E HA 0.423 4.772 4.350 -0.000 0.000 0.255 47 E C -0.421 176.270 176.600 0.152 0.000 0.881 47 E CA -0.865 55.600 56.400 0.108 0.000 0.752 47 E CB 1.092 30.841 29.700 0.082 0.000 1.176 47 E HN 0.564 nan 8.360 nan 0.000 0.421 48 K N 2.210 122.705 120.400 0.158 0.000 3.419 48 K HA -0.234 4.086 4.320 -0.000 0.000 0.272 48 K C -0.270 176.519 176.600 0.315 0.000 0.973 48 K CA 0.569 56.965 56.287 0.182 0.000 0.749 48 K CB -1.604 30.971 32.500 0.125 0.000 1.403 48 K HN 0.839 nan 8.250 nan 0.000 0.456 49 F N -1.472 118.576 119.950 0.164 0.000 3.091 49 F HA -0.349 4.178 4.527 -0.000 0.000 0.288 49 F C 0.081 176.127 175.800 0.411 0.000 0.907 49 F CA 0.596 58.746 58.000 0.249 0.000 1.028 49 F CB -0.189 38.876 39.000 0.108 0.000 1.022 49 F HN 0.492 nan 8.300 nan 0.000 0.665 50 D N 1.036 121.696 120.400 0.433 0.000 2.596 50 D HA 0.549 5.189 4.640 -0.000 0.000 0.234 50 D C -0.954 175.270 176.300 -0.126 0.000 1.181 50 D CA -0.348 53.769 54.000 0.196 0.000 0.856 50 D CB 1.738 42.644 40.800 0.177 0.000 1.498 50 D HN 0.144 nan 8.370 nan 0.000 0.446 51 L N 1.831 122.791 121.223 -0.438 0.000 2.265 51 L HA 0.532 4.872 4.340 -0.000 0.000 0.289 51 L C -0.596 176.261 176.870 -0.022 0.000 1.033 51 L CA -0.878 53.695 54.840 -0.445 0.000 0.814 51 L CB 1.547 43.000 42.059 -1.010 0.000 1.203 51 L HN 0.102 nan 8.230 nan 0.000 0.423 52 V N 4.984 124.989 119.914 0.151 0.000 2.378 52 V HA 0.340 4.460 4.120 -0.000 0.000 0.288 52 V C -2.136 174.137 176.094 0.298 0.000 1.016 52 V CA -2.011 60.421 62.300 0.220 0.000 0.840 52 V CB 1.707 33.620 31.823 0.150 0.000 0.994 52 V HN 0.549 nan 8.190 nan 0.000 0.431 53 P HA -0.004 nan 4.420 nan 0.000 0.263 53 P C -0.382 176.960 177.300 0.068 0.000 1.175 53 P CA 0.355 63.512 63.100 0.095 0.000 0.761 53 P CB 0.420 32.168 31.700 0.080 0.000 0.794 54 V N 6.896 126.817 119.914 0.012 0.000 2.465 54 V HA 0.228 4.348 4.120 -0.000 0.000 0.279 54 V C -1.871 174.249 176.094 0.043 0.000 1.045 54 V CA -1.809 60.481 62.300 -0.017 0.000 0.938 54 V CB 0.862 32.593 31.823 -0.154 0.000 0.986 54 V HN 0.536 nan 8.190 nan 0.000 0.467 55 P HA 0.061 nan 4.420 nan 0.000 0.264 55 P C 1.011 178.204 177.300 -0.179 0.000 1.183 55 P CA 0.314 63.378 63.100 -0.059 0.000 0.763 55 P CB 0.420 32.107 31.700 -0.021 0.000 0.807 56 T N 1.146 115.483 114.554 -0.362 0.000 2.759 56 T HA -0.142 4.207 4.350 -0.000 0.000 0.269 56 T C 1.379 175.727 174.700 -0.588 0.000 1.042 56 T CA 1.663 63.286 62.100 -0.793 0.000 1.140 56 T CB -0.678 67.842 68.868 -0.579 0.000 0.864 56 T HN 0.606 nan 8.240 nan 0.000 0.455 57 N N 1.523 120.042 118.700 -0.301 0.000 2.571 57 N HA -0.022 4.718 4.740 -0.000 0.000 0.189 57 N C 1.146 176.572 175.510 -0.140 0.000 1.154 57 N CA 0.463 53.393 53.050 -0.199 0.000 0.907 57 N CB -0.311 38.096 38.487 -0.134 0.000 0.977 57 N HN 0.399 nan 8.380 nan 0.000 0.449 58 L N -0.492 120.658 121.223 -0.122 0.000 2.808 58 L HA 0.263 4.603 4.340 -0.000 0.000 0.246 58 L C -0.270 176.563 176.870 -0.062 0.000 1.153 58 L CA -0.511 54.282 54.840 -0.079 0.000 0.956 58 L CB -0.167 41.862 42.059 -0.049 0.000 1.270 58 L HN -0.115 nan 8.230 nan 0.000 0.528 59 Y N 1.624 121.785 120.300 -0.232 0.000 2.729 59 Y HA 0.240 4.790 4.550 -0.000 0.000 0.331 59 Y C 1.456 177.259 175.900 -0.162 0.000 1.208 59 Y CA 0.809 58.783 58.100 -0.210 0.000 1.521 59 Y CB 0.173 38.564 38.460 -0.117 0.000 1.233 59 Y HN 0.270 nan 8.280 nan 0.000 0.539 60 G N 2.566 111.191 108.800 -0.293 0.000 2.428 60 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.199 60 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.199 60 G C -0.283 174.248 174.900 -0.614 0.000 1.005 60 G CA -0.352 44.492 45.100 -0.426 0.000 0.671 60 G HN 0.506 nan 8.290 nan 0.000 0.485 61 D N 0.899 120.936 120.400 -0.605 0.000 2.312 61 D HA 0.616 5.256 4.640 -0.000 0.000 0.252 61 D C -0.470 175.359 176.300 -0.785 0.000 1.150 61 D CA 0.505 54.215 54.000 -0.484 0.000 0.870 61 D CB 0.473 41.136 40.800 -0.228 0.000 1.153 61 D HN 0.145 nan 8.370 nan 0.000 0.457 62 F N 1.735 121.456 119.950 -0.382 0.000 2.547 62 F HA 0.384 4.911 4.527 -0.000 0.000 0.316 62 F C -0.098 175.645 175.800 -0.094 0.000 1.121 62 F CA -1.047 56.670 58.000 -0.472 0.000 0.911 62 F CB 1.059 39.370 39.000 -1.150 0.000 1.179 62 F HN 0.149 nan 8.300 nan 0.000 0.443 63 F N 1.543 121.808 119.950 0.525 0.000 2.456 63 F HA 0.146 4.673 4.527 0.000 0.000 0.358 63 F C 1.689 177.808 175.800 0.532 0.000 1.095 63 F CA 0.256 58.508 58.000 0.420 0.000 1.216 63 F CB 1.120 40.304 39.000 0.306 0.000 1.125 63 F HN 0.544 nan 8.300 nan 0.000 0.549 64 T N 2.330 117.206 114.554 0.536 0.000 2.915 64 T HA -0.078 4.272 4.350 -0.000 0.000 0.269 64 T C 2.021 176.906 174.700 0.309 0.000 1.071 64 T CA 1.454 63.789 62.100 0.392 0.000 1.132 64 T CB -0.258 68.748 68.868 0.230 0.000 0.878 64 T HN 0.863 nan 8.240 nan 0.000 0.479 65 G N 0.390 109.386 108.800 0.327 0.000 2.777 65 G HA2 0.050 4.010 3.960 -0.000 0.000 0.211 65 G HA3 0.050 4.010 3.960 -0.000 0.000 0.211 65 G C 0.234 175.282 174.900 0.247 0.000 1.149 65 G CA -0.046 45.188 45.100 0.224 0.000 0.785 65 G HN 0.344 nan 8.290 nan 0.000 0.536 66 D N -0.358 120.281 120.400 0.398 0.000 2.494 66 D HA 0.685 5.325 4.640 -0.000 0.000 0.259 66 D C -0.057 176.529 176.300 0.476 0.000 1.109 66 D CA -0.203 54.017 54.000 0.366 0.000 1.040 66 D CB 1.847 42.832 40.800 0.308 0.000 1.175 66 D HN 0.118 nan 8.370 nan 0.000 0.584 67 A N -0.082 122.966 122.820 0.380 0.000 2.384 67 A HA 0.712 5.032 4.320 -0.000 0.000 0.312 67 A C -1.619 176.252 177.584 0.480 0.000 1.113 67 A CA -0.484 51.878 52.037 0.541 0.000 0.779 67 A CB 1.006 20.236 19.000 0.382 0.000 1.307 67 A HN 0.456 nan 8.150 nan 0.000 0.436 68 Y N -0.836 119.817 120.300 0.589 0.000 2.605 68 Y HA 0.626 5.176 4.550 -0.000 0.000 0.343 68 Y C -0.226 176.000 175.900 0.543 0.000 1.036 68 Y CA -0.963 57.468 58.100 0.552 0.000 1.065 68 Y CB 2.310 41.154 38.460 0.640 0.000 1.288 68 Y HN 0.435 nan 8.280 nan 0.000 0.481 69 V N 3.126 123.444 119.914 0.673 0.000 2.588 69 V HA 0.507 4.627 4.120 -0.000 0.000 0.304 69 V C -1.095 175.394 176.094 0.658 0.000 1.042 69 V CA -0.696 61.976 62.300 0.621 0.000 0.877 69 V CB 1.765 33.855 31.823 0.444 0.000 0.996 69 V HN 0.470 nan 8.190 nan 0.000 0.425 70 I N 5.670 126.610 120.570 0.618 0.000 2.439 70 I HA 0.469 4.639 4.170 -0.000 0.000 0.285 70 I C -0.796 175.602 176.117 0.468 0.000 1.021 70 I CA -0.323 61.262 61.300 0.475 0.000 1.091 70 I CB 1.734 40.056 38.000 0.537 0.000 1.242 70 I HN 0.409 nan 8.210 nan 0.000 0.439 71 L N 7.169 128.587 121.223 0.325 0.000 2.298 71 L HA 0.595 4.935 4.340 -0.000 0.000 0.284 71 L C -0.401 176.542 176.870 0.121 0.000 1.013 71 L CA -0.553 54.473 54.840 0.310 0.000 0.824 71 L CB 0.858 43.146 42.059 0.381 0.000 1.221 71 L HN 0.487 nan 8.230 nan 0.000 0.418 72 K N 3.022 123.501 120.400 0.132 0.000 2.240 72 K HA 0.603 4.923 4.320 -0.000 0.000 0.271 72 K C -1.027 175.633 176.600 0.100 0.000 1.018 72 K CA -0.121 56.121 56.287 -0.075 0.000 0.874 72 K CB 1.177 33.475 32.500 -0.336 0.000 1.098 72 K HN 0.641 nan 8.250 nan 0.000 0.458 73 T N 3.623 118.207 114.554 0.050 0.000 2.779 73 T HA 0.445 4.795 4.350 -0.000 0.000 0.280 73 T C -1.042 173.619 174.700 -0.064 0.000 0.987 73 T CA -0.670 61.466 62.100 0.061 0.000 0.966 73 T CB 1.155 70.119 68.868 0.160 0.000 0.933 73 T HN 0.308 nan 8.240 nan 0.000 0.442 74 V N 3.664 123.496 119.914 -0.137 0.000 2.540 74 V HA 0.381 4.501 4.120 -0.000 0.000 0.302 74 V C 0.022 176.014 176.094 -0.171 0.000 1.035 74 V CA -0.980 61.236 62.300 -0.140 0.000 0.873 74 V CB 1.893 33.625 31.823 -0.151 0.000 0.992 74 V HN 0.855 nan 8.190 nan 0.000 0.428 75 Q N 4.248 123.972 119.800 -0.127 0.000 2.296 75 Q HA 0.387 4.727 4.340 -0.000 0.000 0.263 75 Q C -0.682 175.249 176.000 -0.115 0.000 1.026 75 Q CA -0.056 55.679 55.803 -0.114 0.000 0.912 75 Q CB 0.599 29.289 28.738 -0.079 0.000 1.198 75 Q HN 0.662 nan 8.270 nan 0.000 0.407 76 L N 4.220 125.370 121.223 -0.121 0.000 2.452 76 L HA 0.131 4.471 4.340 -0.000 0.000 0.267 76 L C 1.579 178.405 176.870 -0.073 0.000 1.188 76 L CA -0.154 54.622 54.840 -0.106 0.000 0.821 76 L CB 0.437 42.435 42.059 -0.101 0.000 1.102 76 L HN 0.801 nan 8.230 nan 0.000 0.470 77 R N 1.386 121.848 120.500 -0.063 0.000 2.211 77 R HA -0.207 4.133 4.340 -0.000 0.000 0.240 77 R C 1.004 177.286 176.300 -0.031 0.000 1.144 77 R CA 1.821 57.896 56.100 -0.042 0.000 0.992 77 R CB -0.456 29.825 30.300 -0.032 0.000 0.869 77 R HN 0.724 nan 8.270 nan 0.000 0.462 78 N N -1.474 117.206 118.700 -0.033 0.000 2.235 78 N HA 0.104 4.844 4.740 -0.000 0.000 0.209 78 N C 0.878 176.372 175.510 -0.026 0.000 1.122 78 N CA 0.509 53.545 53.050 -0.023 0.000 0.845 78 N CB 1.312 39.790 38.487 -0.016 0.000 1.004 78 N HN 0.137 nan 8.380 nan 0.000 0.499 79 G N -0.031 108.748 108.800 -0.035 0.000 2.399 79 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.216 79 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.216 79 G C -0.128 174.747 174.900 -0.041 0.000 1.096 79 G CA -0.099 44.981 45.100 -0.032 0.000 0.650 79 G HN 0.512 nan 8.290 nan 0.000 0.512 80 N N 0.637 119.310 118.700 -0.045 0.000 2.267 80 N HA 0.448 5.188 4.740 -0.000 0.000 0.226 80 N C 0.076 175.521 175.510 -0.110 0.000 1.314 80 N CA 0.302 53.317 53.050 -0.059 0.000 0.887 80 N CB 0.490 38.945 38.487 -0.054 0.000 1.120 80 N HN 0.380 nan 8.380 nan 0.000 0.440 81 L N 0.540 121.668 121.223 -0.159 0.000 2.334 81 L HA 0.360 4.700 4.340 -0.000 0.000 0.275 81 L C 0.087 176.646 176.870 -0.518 0.000 1.036 81 L CA -0.616 54.034 54.840 -0.317 0.000 0.807 81 L CB 1.350 43.220 42.059 -0.315 0.000 1.231 81 L HN 0.538 nan 8.230 nan 0.000 0.438 82 Q N 1.825 121.295 119.800 -0.551 0.000 2.365 82 Q HA 0.441 4.781 4.340 -0.000 0.000 0.269 82 Q C -2.004 173.699 176.000 -0.495 0.000 1.061 82 Q CA -0.660 54.858 55.803 -0.474 0.000 0.816 82 Q CB 1.989 30.565 28.738 -0.270 0.000 1.325 82 Q HN 0.555 nan 8.270 nan 0.000 0.446 83 Y N 1.630 121.979 120.300 0.083 0.000 2.341 83 Y HA 0.340 4.890 4.550 -0.000 0.000 0.338 83 Y C -0.985 175.036 175.900 0.203 0.000 0.965 83 Y CA -0.891 57.282 58.100 0.123 0.000 1.108 83 Y CB 1.986 40.508 38.460 0.104 0.000 1.180 83 Y HN 0.622 nan 8.280 nan 0.000 0.458 84 D N 3.739 124.394 120.400 0.426 0.000 2.381 84 D HA 0.410 5.050 4.640 -0.000 0.000 0.235 84 D C -1.048 175.535 176.300 0.471 0.000 1.068 84 D CA -0.267 54.015 54.000 0.470 0.000 0.832 84 D CB 1.284 42.477 40.800 0.654 0.000 1.101 84 D HN 0.358 nan 8.370 nan 0.000 0.515 85 L N 3.737 125.162 121.223 0.336 0.000 2.264 85 L HA 0.373 4.713 4.340 -0.000 0.000 0.289 85 L C -0.148 176.946 176.870 0.373 0.000 1.044 85 L CA -0.558 54.496 54.840 0.358 0.000 0.807 85 L CB 0.626 42.816 42.059 0.219 0.000 1.192 85 L HN 0.409 nan 8.230 nan 0.000 0.425 86 H N 3.509 122.904 119.070 0.540 0.000 2.524 86 H HA 0.349 4.905 4.556 -0.000 0.000 0.353 86 H C -1.260 174.406 175.328 0.563 0.000 1.136 86 H CA -0.630 55.754 56.048 0.561 0.000 1.193 86 H CB 2.186 32.326 29.762 0.631 0.000 1.558 86 H HN 0.519 nan 8.280 nan 0.000 0.515 87 Y N -0.306 120.240 120.300 0.410 0.000 2.429 87 Y HA 0.404 4.954 4.550 -0.000 0.000 0.342 87 Y C -1.344 174.736 175.900 0.301 0.000 1.004 87 Y CA -1.414 56.910 58.100 0.373 0.000 1.075 87 Y CB 1.540 40.174 38.460 0.290 0.000 1.214 87 Y HN 0.601 nan 8.280 nan 0.000 0.455 88 W N 6.826 128.198 121.300 0.120 0.000 2.532 88 W HA 0.710 5.370 4.660 -0.000 0.000 0.321 88 W C -2.156 174.370 176.519 0.012 0.000 1.037 88 W CA -1.171 56.087 57.345 -0.146 0.000 1.220 88 W CB 1.446 30.726 29.460 -0.300 0.000 1.361 88 W HN 0.630 nan 8.180 nan 0.000 0.468 89 L N 7.053 127.896 121.223 -0.632 0.000 2.296 89 L HA 0.664 5.004 4.340 -0.000 0.000 0.286 89 L C 0.928 177.117 176.870 -1.135 0.000 1.023 89 L CA -1.036 53.488 54.840 -0.526 0.000 0.812 89 L CB 1.070 42.940 42.059 -0.314 0.000 1.223 89 L HN 0.607 nan 8.230 nan 0.000 0.421 90 G N 1.369 109.707 108.800 -0.769 0.000 2.572 90 G HA2 0.096 4.056 3.960 -0.000 0.000 0.261 90 G HA3 0.096 4.056 3.960 -0.000 0.000 0.261 90 G C 0.400 175.117 174.900 -0.305 0.000 1.197 90 G CA -0.449 44.289 45.100 -0.602 0.000 0.870 90 G HN 0.848 nan 8.290 nan 0.000 0.548 91 N N -0.176 118.387 118.700 -0.228 0.000 2.364 91 N HA -0.086 4.654 4.740 -0.000 0.000 0.183 91 N C 0.519 175.995 175.510 -0.056 0.000 1.022 91 N CA 0.709 53.678 53.050 -0.134 0.000 0.883 91 N CB 0.233 38.661 38.487 -0.099 0.000 0.965 91 N HN 0.409 nan 8.380 nan 0.000 0.438 92 E N 0.158 120.353 120.200 -0.008 0.000 2.651 92 E HA 0.118 4.468 4.350 -0.000 0.000 0.213 92 E C -0.849 175.775 176.600 0.040 0.000 1.028 92 E CA -0.185 56.229 56.400 0.023 0.000 1.183 92 E CB -0.179 29.551 29.700 0.050 0.000 1.188 92 E HN 0.175 nan 8.360 nan 0.000 0.444 93 C N 2.285 121.595 119.300 0.017 0.000 2.452 93 C HA 0.380 4.839 4.460 -0.000 0.000 0.379 93 C C 1.202 176.206 174.990 0.023 0.000 1.275 93 C CA -0.301 58.739 59.018 0.037 0.000 2.056 93 C CB -0.167 27.579 27.740 0.010 0.000 2.506 93 C HN 0.529 nan 8.230 nan 0.000 0.560 94 S N 5.274 120.994 115.700 0.034 0.000 2.617 94 S HA 0.166 4.636 4.470 -0.000 0.000 0.269 94 S C 0.906 175.510 174.600 0.008 0.000 1.292 94 S CA -0.335 57.875 58.200 0.017 0.000 1.010 94 S CB 0.970 64.180 63.200 0.017 0.000 0.944 94 S HN 0.825 nan 8.310 nan 0.000 0.536 95 Q N 1.011 120.807 119.800 -0.006 0.000 2.152 95 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 95 Q C 1.219 177.202 176.000 -0.028 0.000 0.985 95 Q CA 1.898 57.692 55.803 -0.015 0.000 0.863 95 Q CB -0.634 28.090 28.738 -0.022 0.000 0.904 95 Q HN 0.773 nan 8.270 nan 0.000 0.422 96 D N 0.298 120.675 120.400 -0.038 0.000 2.149 96 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 96 D C 1.856 178.115 176.300 -0.069 0.000 0.972 96 D CA 0.586 54.540 54.000 -0.077 0.000 0.835 96 D CB 0.045 40.799 40.800 -0.077 0.000 0.966 96 D HN 0.151 nan 8.370 nan 0.000 0.476 97 E N 0.493 120.691 120.200 -0.003 0.000 2.031 97 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 97 E C 2.175 178.822 176.600 0.078 0.000 0.994 97 E CA 1.209 57.640 56.400 0.052 0.000 0.800 97 E CB -0.279 29.475 29.700 0.090 0.000 0.752 97 E HN 0.318 nan 8.360 nan 0.000 0.447 98 S N -0.301 115.444 115.700 0.075 0.000 2.423 98 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 98 S C 2.179 176.820 174.600 0.068 0.000 1.014 98 S CA 1.174 59.449 58.200 0.126 0.000 0.965 98 S CB -0.633 62.632 63.200 0.109 0.000 0.785 98 S HN 0.266 nan 8.310 nan 0.000 0.495 99 G N 1.845 110.631 108.800 -0.023 0.000 2.459 99 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.217 99 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.217 99 G C 1.717 176.511 174.900 -0.177 0.000 1.183 99 G CA 0.957 45.991 45.100 -0.111 0.000 0.776 99 G HN 0.788 nan 8.290 nan 0.000 0.552 100 A N 1.149 123.853 122.820 -0.194 0.000 1.902 100 A HA 0.232 4.552 4.320 -0.000 0.000 0.217 100 A C 2.838 180.482 177.584 0.101 0.000 1.181 100 A CA 2.394 54.315 52.037 -0.193 0.000 0.623 100 A CB -0.870 18.105 19.000 -0.043 0.000 0.818 100 A HN 0.844 nan 8.150 nan 0.000 0.443 101 A N 0.024 122.944 122.820 0.167 0.000 1.865 101 A HA 0.087 4.407 4.320 -0.000 0.000 0.217 101 A C 2.571 180.032 177.584 -0.204 0.000 1.191 101 A CA 2.523 54.684 52.037 0.206 0.000 0.623 101 A CB -1.281 17.929 19.000 0.350 0.000 0.826 101 A HN 1.179 nan 8.150 nan 0.000 0.444 102 A N -0.182 122.318 122.820 -0.533 0.000 1.892 102 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 102 A C 2.160 179.543 177.584 -0.336 0.000 1.188 102 A CA 1.837 53.410 52.037 -0.772 0.000 0.631 102 A CB -0.753 17.992 19.000 -0.425 0.000 0.822 102 A HN 0.521 nan 8.150 nan 0.000 0.447 103 I N -1.838 118.605 120.570 -0.211 0.000 2.163 103 I HA -0.277 3.892 4.170 -0.000 0.000 0.243 103 I C 2.309 178.367 176.117 -0.099 0.000 1.085 103 I CA 1.623 62.824 61.300 -0.165 0.000 1.347 103 I CB -0.374 37.505 38.000 -0.201 0.000 1.044 103 I HN 0.376 nan 8.210 nan 0.000 0.408 104 F N 0.344 120.320 119.950 0.043 0.000 2.216 104 F HA -0.222 4.305 4.527 -0.000 0.000 0.300 104 F C 2.606 178.387 175.800 -0.032 0.000 1.085 104 F CA 1.399 59.429 58.000 0.050 0.000 1.326 104 F CB -0.646 38.368 39.000 0.024 0.000 1.027 104 F HN 0.029 nan 8.300 nan 0.000 0.497 105 T N -0.533 114.071 114.554 0.083 0.000 2.701 105 T HA -0.143 4.207 4.350 -0.000 0.000 0.263 105 T C 2.206 176.913 174.700 0.011 0.000 1.040 105 T CA 1.280 63.396 62.100 0.027 0.000 1.147 105 T CB -0.609 68.226 68.868 -0.055 0.000 0.865 105 T HN -0.001 nan 8.240 nan 0.000 0.426 106 V N 1.606 121.508 119.914 -0.019 0.000 2.332 106 V HA -0.224 3.895 4.120 -0.000 0.000 0.248 106 V C 2.576 178.696 176.094 0.043 0.000 1.055 106 V CA 1.778 64.078 62.300 -0.001 0.000 1.038 106 V CB -0.590 31.219 31.823 -0.024 0.000 0.651 106 V HN 0.532 nan 8.190 nan 0.000 0.450 107 Q N -1.151 118.704 119.800 0.092 0.000 2.245 107 Q HA -0.021 4.319 4.340 -0.000 0.000 0.201 107 Q C 2.247 178.397 176.000 0.249 0.000 0.955 107 Q CA 0.942 56.864 55.803 0.197 0.000 0.870 107 Q CB -0.002 28.881 28.738 0.242 0.000 0.945 107 Q HN 0.546 nan 8.270 nan 0.000 0.461 108 L N 0.283 121.519 121.223 0.021 0.000 2.131 108 L HA -0.170 4.170 4.340 -0.000 0.000 0.206 108 L C 1.967 178.772 176.870 -0.109 0.000 1.087 108 L CA 1.286 55.931 54.840 -0.325 0.000 0.767 108 L CB -0.116 41.665 42.059 -0.462 0.000 0.917 108 L HN 0.267 nan 8.230 nan 0.000 0.441 109 D N -0.193 120.187 120.400 -0.034 0.000 2.097 109 D HA -0.292 4.348 4.640 -0.000 0.000 0.195 109 D C 1.782 178.092 176.300 0.017 0.000 0.989 109 D CA 1.572 55.567 54.000 -0.009 0.000 0.827 109 D CB 0.088 40.891 40.800 0.006 0.000 0.966 109 D HN 0.215 nan 8.370 nan 0.000 0.456 110 D N -1.426 119.006 120.400 0.053 0.000 2.123 110 D HA -0.261 4.379 4.640 -0.000 0.000 0.196 110 D C 1.780 178.136 176.300 0.094 0.000 0.992 110 D CA 1.052 55.094 54.000 0.070 0.000 0.833 110 D CB -0.394 40.463 40.800 0.095 0.000 0.954 110 D HN 0.447 nan 8.370 nan 0.000 0.455 111 Y N 0.153 120.470 120.300 0.028 0.000 2.439 111 Y HA 0.119 4.669 4.550 -0.000 0.000 0.292 111 Y C 1.045 176.929 175.900 -0.027 0.000 1.130 111 Y CA 0.918 59.048 58.100 0.050 0.000 1.254 111 Y CB 0.125 38.684 38.460 0.165 0.000 1.000 111 Y HN 0.002 nan 8.280 nan 0.000 0.554 112 L N 0.870 122.042 121.223 -0.085 0.000 2.848 112 L HA 0.196 4.536 4.340 -0.000 0.000 0.240 112 L C -0.054 176.776 176.870 -0.065 0.000 1.232 112 L CA 0.025 54.764 54.840 -0.168 0.000 1.031 112 L CB -0.595 41.294 42.059 -0.284 0.000 1.338 112 L HN 0.178 nan 8.230 nan 0.000 0.509 113 N N 0.655 119.315 118.700 -0.068 0.000 2.816 113 N HA -0.167 4.573 4.740 -0.000 0.000 0.247 113 N C 1.014 176.523 175.510 -0.001 0.000 1.100 113 N CA 0.797 53.828 53.050 -0.031 0.000 0.687 113 N CB -1.106 37.367 38.487 -0.023 0.000 1.003 113 N HN 0.570 nan 8.380 nan 0.000 0.554 114 G N 0.150 108.950 108.800 0.001 0.000 2.309 114 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.286 114 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.286 114 G C 0.602 175.506 174.900 0.006 0.000 1.002 114 G CA 1.177 46.274 45.100 -0.004 0.000 0.786 114 G HN 0.820 nan 8.290 nan 0.000 0.511 115 R N -1.287 119.243 120.500 0.051 0.000 2.633 115 R HA 0.737 5.077 4.340 -0.000 0.000 0.348 115 R C 0.699 177.092 176.300 0.155 0.000 1.100 115 R CA 0.313 56.462 56.100 0.082 0.000 1.068 115 R CB 0.430 30.786 30.300 0.093 0.000 1.351 115 R HN 0.668 nan 8.270 nan 0.000 0.575 116 A N 0.604 123.505 122.820 0.135 0.000 2.311 116 A HA 0.649 4.969 4.320 -0.000 0.000 0.334 116 A C -0.454 177.182 177.584 0.088 0.000 1.139 116 A CA -0.723 51.422 52.037 0.180 0.000 0.830 116 A CB 1.493 20.590 19.000 0.162 0.000 1.234 116 A HN 0.103 nan 8.150 nan 0.000 0.483 117 V N 1.801 121.779 119.914 0.105 0.000 2.427 117 V HA 0.324 4.444 4.120 -0.000 0.000 0.286 117 V C -0.051 175.924 176.094 -0.199 0.000 1.034 117 V CA -0.267 62.001 62.300 -0.053 0.000 0.893 117 V CB 1.182 32.999 31.823 -0.009 0.000 0.982 117 V HN 0.964 nan 8.190 nan 0.000 0.452 118 Q N 3.892 123.496 119.800 -0.325 0.000 2.309 118 Q HA 0.566 4.905 4.340 -0.000 0.000 0.264 118 Q C -1.212 174.486 176.000 -0.503 0.000 1.008 118 Q CA -0.666 54.985 55.803 -0.253 0.000 0.853 118 Q CB 2.110 30.820 28.738 -0.047 0.000 1.314 118 Q HN 0.722 nan 8.270 nan 0.000 0.448 119 H N 1.313 120.381 119.070 -0.004 0.000 2.667 119 H HA 0.323 4.879 4.556 -0.000 0.000 0.353 119 H C -0.948 174.359 175.328 -0.035 0.000 1.072 119 H CA -0.649 55.371 56.048 -0.047 0.000 1.214 119 H CB 1.870 31.532 29.762 -0.166 0.000 1.600 119 H HN 0.423 nan 8.280 nan 0.000 0.527 120 R N 2.343 122.807 120.500 -0.059 0.000 2.265 120 R HA 0.160 4.499 4.340 -0.000 0.000 0.314 120 R C -0.731 175.380 176.300 -0.316 0.000 1.053 120 R CA -0.367 55.459 56.100 -0.457 0.000 0.931 120 R CB 0.612 30.710 30.300 -0.337 0.000 1.024 120 R HN 0.607 nan 8.270 nan 0.000 0.457 121 E N 3.873 123.813 120.200 -0.433 0.000 2.224 121 E HA 0.247 4.597 4.350 -0.000 0.000 0.265 121 E C -1.074 175.194 176.600 -0.553 0.000 0.878 121 E CA -0.772 55.399 56.400 -0.382 0.000 0.759 121 E CB 2.517 31.948 29.700 -0.448 0.000 1.164 121 E HN 0.258 nan 8.360 nan 0.000 0.414 122 V N 2.451 122.097 119.914 -0.447 0.000 2.483 122 V HA 0.151 4.271 4.120 -0.000 0.000 0.295 122 V C 0.431 176.204 176.094 -0.535 0.000 1.035 122 V CA -0.839 61.143 62.300 -0.531 0.000 0.896 122 V CB 1.767 33.424 31.823 -0.277 0.000 0.986 122 V HN 0.656 nan 8.190 nan 0.000 0.447 123 Q N 2.767 122.046 119.800 -0.868 0.000 2.436 123 Q HA 0.140 4.480 4.340 -0.000 0.000 0.326 123 Q C 1.207 177.036 176.000 -0.284 0.000 1.079 123 Q CA 1.433 56.858 55.803 -0.629 0.000 1.049 123 Q CB -0.037 28.235 28.738 -0.775 0.000 1.047 123 Q HN 1.259 nan 8.270 nan 0.000 0.386 124 G N 3.543 112.230 108.800 -0.189 0.000 2.253 124 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.251 124 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.251 124 G C 0.084 174.566 174.900 -0.696 0.000 0.998 124 G CA 0.203 45.102 45.100 -0.334 0.000 0.621 124 G HN 0.647 nan 8.290 nan 0.000 0.524 125 F N 2.299 122.216 119.950 -0.056 0.000 2.733 125 F HA 0.339 4.866 4.527 -0.000 0.000 0.380 125 F C 0.675 176.432 175.800 -0.072 0.000 1.324 125 F CA -0.520 57.447 58.000 -0.054 0.000 1.178 125 F CB 0.452 39.401 39.000 -0.084 0.000 1.093 125 F HN 0.207 nan 8.300 nan 0.000 0.512 126 E N 0.399 120.630 120.200 0.052 0.000 2.371 126 E HA 0.299 4.649 4.350 -0.000 0.000 0.257 126 E C 0.253 176.899 176.600 0.077 0.000 1.134 126 E CA -0.312 56.086 56.400 -0.003 0.000 0.919 126 E CB 0.985 30.620 29.700 -0.107 0.000 1.025 126 E HN 0.191 nan 8.360 nan 0.000 0.438 127 S N -0.478 115.271 115.700 0.082 0.000 2.600 127 S HA 0.330 4.800 4.470 -0.000 0.000 0.265 127 S C 1.137 175.784 174.600 0.078 0.000 1.325 127 S CA -0.189 58.062 58.200 0.084 0.000 1.002 127 S CB 1.233 64.471 63.200 0.063 0.000 0.921 127 S HN 0.709 nan 8.310 nan 0.000 0.554 128 A N 1.839 124.679 122.820 0.034 0.000 1.933 128 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 128 A C 2.270 179.800 177.584 -0.091 0.000 1.175 128 A CA 2.059 54.082 52.037 -0.024 0.000 0.628 128 A CB -1.862 17.113 19.000 -0.043 0.000 0.814 128 A HN 0.892 nan 8.150 nan 0.000 0.444 129 T N -0.857 113.652 114.554 -0.075 0.000 2.652 129 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 129 T C 1.597 175.949 174.700 -0.581 0.000 1.039 129 T CA 1.699 63.690 62.100 -0.181 0.000 1.153 129 T CB -0.429 68.421 68.868 -0.030 0.000 0.863 129 T HN 0.481 nan 8.240 nan 0.000 0.428 130 F N 1.663 121.301 119.950 -0.521 0.000 2.065 130 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 130 F C 1.988 177.546 175.800 -0.402 0.000 1.112 130 F CA 1.354 58.966 58.000 -0.648 0.000 1.212 130 F CB -0.502 38.383 39.000 -0.192 0.000 0.975 130 F HN 0.058 nan 8.300 nan 0.000 0.476 131 L N -0.125 121.078 121.223 -0.033 0.000 2.127 131 L HA -0.175 4.165 4.340 -0.000 0.000 0.211 131 L C 2.728 179.531 176.870 -0.113 0.000 1.089 131 L CA 1.165 56.016 54.840 0.018 0.000 0.757 131 L CB -1.546 40.547 42.059 0.056 0.000 0.899 131 L HN 0.362 nan 8.230 nan 0.000 0.434 132 G N -0.979 107.656 108.800 -0.276 0.000 2.470 132 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 132 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 132 G C 1.197 175.982 174.900 -0.192 0.000 1.121 132 G CA 0.377 45.341 45.100 -0.226 0.000 0.766 132 G HN 0.289 nan 8.290 nan 0.000 0.553 133 Y N -0.125 119.929 120.300 -0.410 0.000 2.314 133 Y HA 0.217 4.767 4.550 -0.000 0.000 0.293 133 Y C 0.569 175.962 175.900 -0.846 0.000 1.129 133 Y CA -0.818 56.833 58.100 -0.749 0.000 1.201 133 Y CB -0.412 37.304 38.460 -1.240 0.000 0.999 133 Y HN 0.139 nan 8.280 nan 0.000 0.541 134 F N 0.068 119.947 119.950 -0.118 0.000 2.363 134 F HA 0.422 4.949 4.527 -0.000 0.000 0.366 134 F C 0.943 176.673 175.800 -0.118 0.000 1.083 134 F CA -0.937 56.988 58.000 -0.126 0.000 1.176 134 F CB 0.769 39.669 39.000 -0.165 0.000 1.432 134 F HN -0.269 nan 8.300 nan 0.000 0.482 135 K N 0.116 120.523 120.400 0.011 0.000 2.374 135 K HA 0.065 4.385 4.320 -0.000 0.000 0.196 135 K C 1.292 177.871 176.600 -0.035 0.000 1.023 135 K CA 0.154 56.431 56.287 -0.017 0.000 1.103 135 K CB 0.359 32.836 32.500 -0.039 0.000 0.848 135 K HN 0.429 nan 8.250 nan 0.000 0.528 136 S N 0.637 116.317 115.700 -0.032 0.000 2.555 136 S HA 0.058 4.528 4.470 -0.000 0.000 0.230 136 S C 0.854 175.402 174.600 -0.087 0.000 0.978 136 S CA 0.442 58.603 58.200 -0.065 0.000 0.934 136 S CB 0.059 63.216 63.200 -0.072 0.000 0.766 136 S HN 0.564 nan 8.310 nan 0.000 0.533 137 G N 0.680 109.445 108.800 -0.057 0.000 2.655 137 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.680 137 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.680 137 G C -1.076 173.710 174.900 -0.189 0.000 1.302 137 G CA -1.030 43.999 45.100 -0.117 0.000 0.872 137 G HN 0.280 nan 8.290 nan 0.000 0.540 138 L N 0.065 121.103 121.223 -0.309 0.000 2.325 138 L HA 0.651 4.990 4.340 -0.000 0.000 0.278 138 L C 0.567 177.114 176.870 -0.539 0.000 1.023 138 L CA -0.843 53.724 54.840 -0.454 0.000 0.811 138 L CB 1.849 43.576 42.059 -0.554 0.000 1.249 138 L HN 0.484 nan 8.230 nan 0.000 0.431 139 K N 2.679 122.806 120.400 -0.456 0.000 2.323 139 K HA 0.436 4.756 4.320 -0.000 0.000 0.259 139 K C -1.552 174.964 176.600 -0.139 0.000 0.947 139 K CA -0.520 55.534 56.287 -0.388 0.000 0.819 139 K CB 1.689 33.941 32.500 -0.415 0.000 1.109 139 K HN 0.425 nan 8.250 nan 0.000 0.429 140 Y N 2.491 122.834 120.300 0.072 0.000 2.353 140 Y HA 0.264 4.813 4.550 -0.000 0.000 0.340 140 Y C 0.110 176.102 175.900 0.153 0.000 0.972 140 Y CA -1.018 57.161 58.100 0.130 0.000 1.157 140 Y CB 1.347 39.903 38.460 0.160 0.000 1.157 140 Y HN 0.250 nan 8.280 nan 0.000 0.495 141 K N 2.991 123.516 120.400 0.208 0.000 2.156 141 K HA 0.370 4.690 4.320 -0.000 0.000 0.250 141 K C -0.661 175.998 176.600 0.097 0.000 0.955 141 K CA -1.062 55.259 56.287 0.057 0.000 0.855 141 K CB 1.552 33.891 32.500 -0.269 0.000 1.101 141 K HN 0.452 nan 8.250 nan 0.000 0.434 142 K N 1.149 121.555 120.400 0.010 0.000 2.350 142 K HA 0.383 4.703 4.320 -0.000 0.000 0.279 142 K C 0.155 176.729 176.600 -0.044 0.000 1.027 142 K CA 0.400 56.679 56.287 -0.014 0.000 0.969 142 K CB 0.806 33.244 32.500 -0.104 0.000 0.954 142 K HN 0.818 nan 8.250 nan 0.000 0.474 143 G N 0.362 109.154 108.800 -0.014 0.000 2.462 143 G HA2 0.274 4.234 3.960 -0.000 0.000 0.685 143 G HA3 0.274 4.234 3.960 -0.000 0.000 0.685 143 G C -0.498 174.459 174.900 0.095 0.000 1.295 143 G CA -0.746 44.274 45.100 -0.134 0.000 0.941 143 G HN 0.953 nan 8.290 nan 0.000 0.554 144 G N -2.912 105.886 108.800 -0.003 0.000 2.341 144 G HA2 0.618 4.578 3.960 -0.000 0.000 0.299 144 G HA3 0.618 4.578 3.960 -0.000 0.000 0.299 144 G C 0.714 175.580 174.900 -0.055 0.000 1.274 144 G CA 0.742 45.812 45.100 -0.050 0.000 0.853 144 G HN 1.637 nan 8.290 nan 0.000 0.493 145 V N 1.160 121.055 119.914 -0.032 0.000 2.343 145 V HA -0.044 4.076 4.120 -0.000 0.000 0.247 145 V C 3.334 179.429 176.094 0.002 0.000 1.051 145 V CA 3.144 65.428 62.300 -0.026 0.000 1.036 145 V CB -1.010 30.817 31.823 0.007 0.000 0.654 145 V HN 1.085 nan 8.190 nan 0.000 0.451 146 A N 0.691 123.531 122.820 0.034 0.000 2.024 146 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 146 A C 2.190 179.797 177.584 0.039 0.000 1.164 146 A CA 2.104 54.163 52.037 0.036 0.000 0.643 146 A CB -0.500 18.528 19.000 0.048 0.000 0.806 146 A HN 0.696 nan 8.150 nan 0.000 0.451 147 S N -2.009 113.742 115.700 0.084 0.000 2.582 147 S HA 0.445 4.915 4.470 -0.000 0.000 0.234 147 S C 1.010 175.573 174.600 -0.061 0.000 0.961 147 S CA 0.590 58.858 58.200 0.113 0.000 0.953 147 S CB -0.229 63.146 63.200 0.291 0.000 0.800 147 S HN 1.872 nan 8.310 nan 0.000 0.471 148 G N 0.862 109.583 108.800 -0.131 0.000 2.256 148 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.272 148 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.272 148 G C -0.346 174.213 174.900 -0.569 0.000 1.076 148 G CA -0.319 44.598 45.100 -0.305 0.000 0.882 148 G HN 0.479 nan 8.290 nan 0.000 0.497 149 F N -0.323 119.481 119.950 -0.243 0.000 2.492 149 F HA 0.751 5.278 4.527 -0.000 0.000 0.327 149 F C 0.659 176.172 175.800 -0.479 0.000 1.079 149 F CA -0.627 57.145 58.000 -0.381 0.000 0.967 149 F CB 2.007 40.654 39.000 -0.588 0.000 1.169 149 F HN -0.008 nan 8.300 nan 0.000 0.472 150 K N 1.032 121.378 120.400 -0.090 0.000 2.443 150 K HA 0.356 4.676 4.320 -0.000 0.000 0.251 150 K C 0.101 176.845 176.600 0.240 0.000 0.972 150 K CA -0.875 55.426 56.287 0.022 0.000 0.833 150 K CB 2.102 34.638 32.500 0.059 0.000 1.317 150 K HN 0.616 nan 8.250 nan 0.000 0.441 151 H N -0.178 119.108 119.070 0.360 0.000 2.384 151 H HA -0.016 4.540 4.556 -0.000 0.000 0.300 151 H C 0.409 175.857 175.328 0.199 0.000 1.057 151 H CA 0.869 57.122 56.048 0.342 0.000 1.370 151 H CB 0.579 30.507 29.762 0.276 0.000 1.417 151 H HN 0.146 nan 8.280 nan 0.000 0.527 152 V N 4.118 124.197 119.914 0.276 0.000 2.397 152 V HA 0.173 4.293 4.120 -0.000 0.000 0.262 152 V C 0.044 176.217 176.094 0.132 0.000 1.047 152 V CA -0.206 62.193 62.300 0.165 0.000 1.003 152 V CB -0.175 31.721 31.823 0.122 0.000 1.037 152 V HN 0.123 nan 8.190 nan 0.000 0.480 153 V N 5.874 125.859 119.914 0.119 0.000 2.715 153 V HA 0.768 4.888 4.120 -0.000 0.000 0.310 153 V C -1.938 174.198 176.094 0.070 0.000 1.054 153 V CA -1.895 60.466 62.300 0.102 0.000 0.928 153 V CB 1.211 33.110 31.823 0.127 0.000 1.007 153 V HN 0.789 nan 8.190 nan 0.000 0.437 154 P HA 0.161 nan 4.420 nan 0.000 0.268 154 P C 0.769 178.093 177.300 0.039 0.000 1.208 154 P CA -0.077 63.048 63.100 0.041 0.000 0.777 154 P CB 0.401 32.121 31.700 0.034 0.000 0.875 155 N N 0.528 119.246 118.700 0.029 0.000 2.157 155 N HA -0.242 4.498 4.740 -0.000 0.000 0.198 155 N C 0.685 176.211 175.510 0.027 0.000 0.987 155 N CA 1.889 54.954 53.050 0.025 0.000 0.899 155 N CB -0.388 38.110 38.487 0.018 0.000 1.077 155 N HN 0.645 nan 8.380 nan 0.000 0.586 156 E N -0.323 119.894 120.200 0.028 0.000 2.340 156 E HA 0.556 4.906 4.350 -0.000 0.000 0.273 156 E C -1.351 175.271 176.600 0.037 0.000 0.891 156 E CA -0.873 55.546 56.400 0.033 0.000 0.757 156 E CB 2.167 31.884 29.700 0.028 0.000 1.231 156 E HN 0.047 nan 8.360 nan 0.000 0.439 157 V N 0.062 120.003 119.914 0.045 0.000 3.181 157 V HA 0.625 4.745 4.120 -0.000 0.000 0.308 157 V C -0.380 175.745 176.094 0.051 0.000 1.214 157 V CA -1.242 61.087 62.300 0.048 0.000 1.053 157 V CB 1.636 33.494 31.823 0.058 0.000 1.069 157 V HN 0.456 nan 8.190 nan 0.000 0.441 158 V N 2.500 122.444 119.914 0.049 0.000 2.493 158 V HA 0.319 4.439 4.120 -0.000 0.000 0.292 158 V C 0.440 176.570 176.094 0.060 0.000 1.016 158 V CA 0.857 63.186 62.300 0.050 0.000 1.097 158 V CB 0.920 32.769 31.823 0.043 0.000 0.947 158 V HN 1.140 nan 8.190 nan 0.000 0.479 159 V N 4.327 124.278 119.914 0.061 0.000 2.628 159 V HA 0.774 4.894 4.120 -0.000 0.000 0.306 159 V C -0.623 175.504 176.094 0.054 0.000 1.045 159 V CA -0.568 61.771 62.300 0.065 0.000 0.905 159 V CB 1.799 33.669 31.823 0.078 0.000 0.997 159 V HN 0.936 nan 8.190 nan 0.000 0.436 160 Q N 4.196 124.019 119.800 0.039 0.000 2.709 160 Q HA 0.546 4.886 4.340 -0.000 0.000 0.232 160 Q C -1.283 174.706 176.000 -0.018 0.000 0.856 160 Q CA -0.506 55.306 55.803 0.017 0.000 0.788 160 Q CB 1.399 30.142 28.738 0.008 0.000 1.386 160 Q HN 0.964 nan 8.270 nan 0.000 0.453 161 R N 2.485 122.967 120.500 -0.029 0.000 2.725 161 R HA 0.590 4.930 4.340 -0.000 0.000 0.277 161 R C -1.482 174.725 176.300 -0.154 0.000 0.987 161 R CA -0.868 55.151 56.100 -0.134 0.000 0.901 161 R CB 2.158 32.376 30.300 -0.138 0.000 1.207 161 R HN 0.463 nan 8.270 nan 0.000 0.463 162 L N 3.187 124.233 121.223 -0.295 0.000 2.356 162 L HA 0.551 4.891 4.340 -0.000 0.000 0.277 162 L C -1.495 175.117 176.870 -0.429 0.000 0.996 162 L CA -0.664 54.042 54.840 -0.223 0.000 0.822 162 L CB 1.258 43.218 42.059 -0.165 0.000 1.256 162 L HN 0.544 nan 8.230 nan 0.000 0.413 163 F N 2.332 122.271 119.950 -0.018 0.000 2.467 163 F HA 0.344 4.871 4.527 -0.000 0.000 0.336 163 F C 0.379 176.077 175.800 -0.170 0.000 1.123 163 F CA -0.464 57.492 58.000 -0.072 0.000 0.964 163 F CB 1.785 40.734 39.000 -0.086 0.000 1.136 163 F HN 0.397 nan 8.300 nan 0.000 0.447 164 Q N 3.504 123.252 119.800 -0.087 0.000 2.337 164 Q HA 0.481 4.821 4.340 -0.000 0.000 0.255 164 Q C -1.386 174.417 176.000 -0.329 0.000 0.997 164 Q CA -0.461 55.027 55.803 -0.524 0.000 0.925 164 Q CB 0.972 29.501 28.738 -0.347 0.000 1.212 164 Q HN 0.555 nan 8.270 nan 0.000 0.436 165 V N 4.904 124.574 119.914 -0.407 0.000 2.432 165 V HA 0.437 4.557 4.120 -0.000 0.000 0.275 165 V C -0.127 175.841 176.094 -0.210 0.000 1.043 165 V CA -0.352 61.805 62.300 -0.238 0.000 0.925 165 V CB 1.183 32.897 31.823 -0.182 0.000 0.985 165 V HN 0.725 nan 8.190 nan 0.000 0.466 166 K N 2.525 122.840 120.400 -0.142 0.000 2.498 166 K HA 0.714 5.034 4.320 -0.000 0.000 0.254 166 K C -0.262 176.299 176.600 -0.066 0.000 0.933 166 K CA 0.061 56.294 56.287 -0.091 0.000 0.806 166 K CB 2.251 34.707 32.500 -0.074 0.000 1.301 166 K HN 1.158 nan 8.250 nan 0.000 0.432 167 G N 1.816 110.598 108.800 -0.030 0.000 2.587 167 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.686 167 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.686 167 G C -0.562 174.347 174.900 0.016 0.000 1.236 167 G CA -0.293 44.801 45.100 -0.009 0.000 0.820 167 G HN 0.660 nan 8.290 nan 0.000 0.645 168 R N -0.107 120.430 120.500 0.062 0.000 2.121 168 R HA 0.242 4.582 4.340 -0.000 0.000 0.206 168 R C 2.723 179.131 176.300 0.180 0.000 1.094 168 R CA 1.193 57.386 56.100 0.155 0.000 1.055 168 R CB -0.089 30.322 30.300 0.185 0.000 0.964 168 R HN 0.616 nan 8.270 nan 0.000 0.473 169 R N 0.060 120.630 120.500 0.116 0.000 2.098 169 R HA 0.157 4.497 4.340 -0.000 0.000 0.203 169 R C 0.660 176.973 176.300 0.020 0.000 1.166 169 R CA 0.504 56.657 56.100 0.089 0.000 1.090 169 R CB -0.763 29.581 30.300 0.074 0.000 0.992 169 R HN 0.077 nan 8.270 nan 0.000 0.477 170 V N 2.248 122.167 119.914 0.009 0.000 2.400 170 V HA 0.247 4.367 4.120 -0.000 0.000 0.263 170 V C 0.387 176.459 176.094 -0.036 0.000 1.026 170 V CA -0.750 61.542 62.300 -0.014 0.000 1.077 170 V CB 0.706 32.524 31.823 -0.009 0.000 1.054 170 V HN 0.098 nan 8.190 nan 0.000 0.477 171 V N 7.155 127.030 119.914 -0.064 0.000 2.328 171 V HA 0.625 4.745 4.120 -0.000 0.000 0.278 171 V C 0.121 176.121 176.094 -0.156 0.000 1.021 171 V CA -0.584 61.656 62.300 -0.101 0.000 0.838 171 V CB 1.098 32.854 31.823 -0.112 0.000 0.999 171 V HN 1.013 nan 8.190 nan 0.000 0.447 172 R N 5.494 125.892 120.500 -0.169 0.000 2.437 172 R HA 0.770 5.110 4.340 -0.000 0.000 0.310 172 R C -0.443 175.710 176.300 -0.245 0.000 0.955 172 R CA -0.304 55.636 56.100 -0.265 0.000 0.851 172 R CB 2.118 32.303 30.300 -0.191 0.000 1.161 172 R HN 0.823 nan 8.270 nan 0.000 0.446 173 A N 2.657 125.285 122.820 -0.321 0.000 2.280 173 A HA 0.362 4.682 4.320 -0.000 0.000 0.320 173 A C -0.345 177.241 177.584 0.003 0.000 1.366 173 A CA -0.415 51.500 52.037 -0.203 0.000 0.938 173 A CB 0.686 19.459 19.000 -0.379 0.000 1.157 173 A HN 0.589 nan 8.150 nan 0.000 0.536 174 T N 2.336 116.980 114.554 0.149 0.000 2.767 174 T HA 0.290 4.640 4.350 -0.000 0.000 0.284 174 T C 0.147 174.988 174.700 0.236 0.000 0.973 174 T CA -0.257 61.998 62.100 0.259 0.000 0.996 174 T CB 1.020 70.004 68.868 0.192 0.000 0.927 174 T HN 0.774 nan 8.240 nan 0.000 0.456 175 E N 2.743 123.016 120.200 0.122 0.000 2.384 175 E HA 0.345 4.695 4.350 -0.000 0.000 0.266 175 E C -0.322 176.172 176.600 -0.175 0.000 1.012 175 E CA -0.536 55.647 56.400 -0.362 0.000 0.901 175 E CB 0.414 29.857 29.700 -0.429 0.000 0.967 175 E HN 0.485 nan 8.360 nan 0.000 0.435 176 V N 1.076 120.857 119.914 -0.222 0.000 3.130 176 V HA 0.611 4.731 4.120 -0.000 0.000 0.310 176 V C -2.677 173.344 176.094 -0.123 0.000 1.158 176 V CA -2.712 59.524 62.300 -0.107 0.000 1.029 176 V CB 1.323 33.124 31.823 -0.036 0.000 1.057 176 V HN 0.628 nan 8.190 nan 0.000 0.436 177 P HA 0.170 nan 4.420 nan 0.000 0.265 177 P C -0.232 177.020 177.300 -0.079 0.000 1.193 177 P CA 0.054 63.115 63.100 -0.064 0.000 0.765 177 P CB 0.498 32.181 31.700 -0.029 0.000 0.823 178 V N 3.571 123.433 119.914 -0.086 0.000 2.324 178 V HA 0.264 4.384 4.120 -0.000 0.000 0.244 178 V C 0.663 176.695 176.094 -0.103 0.000 1.144 178 V CA 0.825 63.064 62.300 -0.102 0.000 1.158 178 V CB -1.067 30.698 31.823 -0.096 0.000 1.254 178 V HN 0.684 nan 8.190 nan 0.000 0.492 179 S N 3.079 118.718 115.700 -0.101 0.000 2.558 179 S HA 0.329 4.799 4.470 -0.000 0.000 0.277 179 S C -0.210 174.381 174.600 -0.016 0.000 1.143 179 S CA -0.733 57.420 58.200 -0.078 0.000 0.865 179 S CB 0.805 64.002 63.200 -0.006 0.000 1.102 179 S HN 0.497 nan 8.310 nan 0.000 0.454 180 W N 1.877 123.159 121.300 -0.030 0.000 2.392 180 W HA -0.006 4.654 4.660 -0.000 0.000 0.279 180 W C 2.084 178.609 176.519 0.011 0.000 1.225 180 W CA 0.709 57.995 57.345 -0.098 0.000 1.233 180 W CB 0.143 29.458 29.460 -0.241 0.000 1.122 180 W HN 0.738 nan 8.180 nan 0.000 0.561 181 E N -0.235 120.095 120.200 0.215 0.000 2.160 181 E HA -0.172 4.177 4.350 -0.000 0.000 0.195 181 E C 1.928 178.606 176.600 0.129 0.000 0.991 181 E CA 1.400 57.886 56.400 0.143 0.000 0.810 181 E CB -0.892 28.862 29.700 0.089 0.000 0.742 181 E HN 0.189 nan 8.360 nan 0.000 0.466 182 S N 0.173 115.935 115.700 0.104 0.000 2.474 182 S HA -0.016 4.454 4.470 -0.000 0.000 0.235 182 S C 0.648 175.223 174.600 -0.041 0.000 0.997 182 S CA 0.351 58.570 58.200 0.031 0.000 0.949 182 S CB -0.156 63.005 63.200 -0.065 0.000 0.766 182 S HN 0.100 nan 8.310 nan 0.000 0.517 183 F N 2.373 122.171 119.950 -0.253 0.000 2.370 183 F HA 0.426 4.953 4.527 -0.000 0.000 0.319 183 F C 0.638 176.416 175.800 -0.038 0.000 1.129 183 F CA -0.738 56.927 58.000 -0.559 0.000 1.109 183 F CB 0.754 39.403 39.000 -0.586 0.000 1.262 183 F HN 0.178 nan 8.300 nan 0.000 0.534 184 N N -1.440 117.479 118.700 0.366 0.000 2.823 184 N HA 0.245 4.984 4.740 -0.000 0.000 0.251 184 N C -1.168 174.656 175.510 0.524 0.000 1.392 184 N CA -0.944 52.342 53.050 0.393 0.000 0.864 184 N CB 0.679 39.362 38.487 0.327 0.000 1.481 184 N HN 0.443 nan 8.380 nan 0.000 0.508 185 N N -1.484 117.439 118.700 0.372 0.000 2.459 185 N HA 0.042 4.782 4.740 -0.000 0.000 0.181 185 N C 1.121 176.797 175.510 0.276 0.000 1.046 185 N CA 0.927 54.175 53.050 0.330 0.000 0.904 185 N CB 0.040 38.645 38.487 0.197 0.000 0.964 185 N HN 0.728 nan 8.380 nan 0.000 0.444 186 G N -0.958 108.006 108.800 0.273 0.000 3.088 186 G HA2 0.029 3.988 3.960 -0.000 0.000 0.217 186 G HA3 0.029 3.988 3.960 -0.000 0.000 0.217 186 G C -0.107 174.911 174.900 0.196 0.000 1.159 186 G CA -0.021 45.197 45.100 0.196 0.000 0.760 186 G HN 0.098 nan 8.290 nan 0.000 0.550 187 D N -1.092 119.491 120.400 0.306 0.000 2.553 187 D HA 0.523 5.163 4.640 -0.000 0.000 0.249 187 D C -0.530 175.923 176.300 0.255 0.000 1.062 187 D CA -0.383 53.727 54.000 0.182 0.000 1.085 187 D CB 1.596 42.407 40.800 0.017 0.000 1.350 187 D HN -0.092 nan 8.370 nan 0.000 0.575 188 C N 0.266 119.573 119.300 0.011 0.000 2.397 188 C HA 0.694 5.154 4.460 -0.000 0.000 0.343 188 C C -0.699 174.195 174.990 -0.161 0.000 1.188 188 C CA -0.488 58.611 59.018 0.136 0.000 1.992 188 C CB 0.020 27.792 27.740 0.054 0.000 2.358 188 C HN 0.366 nan 8.230 nan 0.000 0.518 189 F N 1.445 121.584 119.950 0.314 0.000 2.578 189 F HA 0.653 5.180 4.527 -0.000 0.000 0.311 189 F C -0.138 175.786 175.800 0.207 0.000 1.094 189 F CA -0.589 57.496 58.000 0.142 0.000 0.923 189 F CB 1.074 39.997 39.000 -0.128 0.000 1.230 189 F HN 0.244 nan 8.300 nan 0.000 0.450 190 I N 4.123 124.872 120.570 0.299 0.000 2.382 190 I HA 0.316 4.486 4.170 -0.000 0.000 0.286 190 I C -1.239 175.045 176.117 0.278 0.000 1.002 190 I CA -0.793 60.678 61.300 0.284 0.000 1.135 190 I CB 1.787 39.911 38.000 0.207 0.000 1.288 190 I HN 0.320 nan 8.210 nan 0.000 0.448 191 L N 6.819 128.202 121.223 0.266 0.000 2.272 191 L HA 0.404 4.744 4.340 -0.000 0.000 0.284 191 L C -0.361 176.637 176.870 0.214 0.000 1.045 191 L CA -0.025 54.929 54.840 0.191 0.000 0.842 191 L CB 0.449 42.596 42.059 0.145 0.000 1.224 191 L HN 0.423 nan 8.230 nan 0.000 0.430 192 D N 3.995 124.503 120.400 0.180 0.000 2.317 192 D HA 0.176 4.816 4.640 -0.000 0.000 0.252 192 D C 0.174 176.554 176.300 0.133 0.000 1.174 192 D CA -0.056 54.045 54.000 0.168 0.000 0.866 192 D CB 1.221 42.140 40.800 0.199 0.000 1.127 192 D HN 0.446 nan 8.370 nan 0.000 0.467 193 L N 3.247 124.557 121.223 0.145 0.000 2.959 193 L HA 0.402 4.742 4.340 -0.000 0.000 0.259 193 L C 1.417 178.347 176.870 0.099 0.000 1.185 193 L CA 0.586 55.504 54.840 0.129 0.000 0.998 193 L CB 0.156 42.328 42.059 0.189 0.000 1.337 193 L HN 0.827 nan 8.230 nan 0.000 0.555 194 G N 0.419 109.270 108.800 0.084 0.000 3.692 194 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.265 194 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.265 194 G C 1.013 175.944 174.900 0.050 0.000 1.733 194 G CA 0.302 45.440 45.100 0.064 0.000 1.144 194 G HN 0.276 nan 8.290 nan 0.000 0.602 195 N N 2.249 120.980 118.700 0.053 0.000 2.381 195 N HA 0.075 4.815 4.740 -0.000 0.000 0.182 195 N C 0.332 175.867 175.510 0.041 0.000 1.025 195 N CA 1.214 54.289 53.050 0.042 0.000 0.888 195 N CB 0.017 38.534 38.487 0.051 0.000 0.965 195 N HN 0.457 nan 8.380 nan 0.000 0.438 196 N N 0.363 119.105 118.700 0.070 0.000 2.346 196 N HA 0.302 5.042 4.740 -0.000 0.000 0.289 196 N C -1.339 174.184 175.510 0.021 0.000 1.027 196 N CA -0.458 52.625 53.050 0.055 0.000 0.864 196 N CB 2.326 40.927 38.487 0.189 0.000 1.370 196 N HN -0.093 nan 8.380 nan 0.000 0.481 197 I N 1.836 122.350 120.570 -0.093 0.000 2.354 197 I HA 0.187 4.357 4.170 -0.000 0.000 0.292 197 I C -0.345 175.688 176.117 -0.140 0.000 0.989 197 I CA -0.337 60.940 61.300 -0.037 0.000 1.188 197 I CB 0.782 38.763 38.000 -0.031 0.000 1.342 197 I HN 0.371 nan 8.210 nan 0.000 0.457 198 H N 4.565 123.734 119.070 0.166 0.000 2.638 198 H HA 0.354 4.910 4.556 -0.000 0.000 0.303 198 H C -0.533 174.939 175.328 0.239 0.000 1.034 198 H CA -0.494 55.681 56.048 0.211 0.000 1.225 198 H CB 0.945 30.826 29.762 0.199 0.000 1.394 198 H HN 0.491 nan 8.280 nan 0.000 0.477 199 Q N 3.361 123.336 119.800 0.292 0.000 2.267 199 Q HA 0.236 4.576 4.340 -0.000 0.000 0.255 199 Q C -1.264 174.984 176.000 0.413 0.000 0.923 199 Q CA -0.867 55.111 55.803 0.292 0.000 0.925 199 Q CB 1.219 30.051 28.738 0.156 0.000 1.195 199 Q HN 0.727 nan 8.270 nan 0.000 0.417 200 W N 4.897 126.354 121.300 0.263 0.000 2.957 200 W HA 0.532 5.192 4.660 0.000 0.000 0.336 200 W C -1.891 174.821 176.519 0.322 0.000 1.087 200 W CA -0.541 56.990 57.345 0.311 0.000 1.235 200 W CB 1.368 31.085 29.460 0.428 0.000 1.399 200 W HN 0.681 nan 8.180 nan 0.000 0.480 201 C N 5.075 124.163 119.300 -0.354 0.000 2.340 201 C HA 0.700 5.160 4.460 -0.000 0.000 0.323 201 C C 1.073 175.614 174.990 -0.748 0.000 1.260 201 C CA -0.622 58.212 59.018 -0.306 0.000 1.464 201 C CB 0.399 28.043 27.740 -0.161 0.000 2.156 201 C HN 0.913 nan 8.230 nan 0.000 0.476 202 G N 2.311 110.894 108.800 -0.362 0.000 2.474 202 G HA2 0.246 4.206 3.960 -0.000 0.000 0.233 202 G HA3 0.246 4.206 3.960 -0.000 0.000 0.233 202 G C 1.050 175.858 174.900 -0.154 0.000 1.278 202 G CA 0.533 45.514 45.100 -0.199 0.000 0.861 202 G HN 1.059 nan 8.290 nan 0.000 0.567 203 S N 1.186 116.829 115.700 -0.096 0.000 2.442 203 S HA -0.134 4.336 4.470 -0.000 0.000 0.236 203 S C 1.520 176.120 174.600 0.000 0.000 1.007 203 S CA 1.210 59.380 58.200 -0.050 0.000 0.965 203 S CB -0.047 63.145 63.200 -0.013 0.000 0.773 203 S HN 0.499 nan 8.310 nan 0.000 0.504 204 N N 1.841 120.565 118.700 0.040 0.000 2.230 204 N HA 0.162 4.902 4.740 -0.000 0.000 0.202 204 N C -0.220 175.327 175.510 0.062 0.000 1.119 204 N CA 0.364 53.448 53.050 0.056 0.000 0.851 204 N CB 0.647 39.181 38.487 0.079 0.000 0.990 204 N HN 0.639 nan 8.380 nan 0.000 0.497 205 S N -0.004 115.725 115.700 0.049 0.000 2.528 205 S HA 0.109 4.579 4.470 -0.000 0.000 0.277 205 S C 0.268 174.896 174.600 0.048 0.000 1.297 205 S CA -0.870 57.364 58.200 0.056 0.000 1.052 205 S CB 1.150 64.375 63.200 0.043 0.000 0.917 205 S HN 0.218 nan 8.310 nan 0.000 0.492 206 N N 2.103 120.843 118.700 0.067 0.000 2.482 206 N HA 0.080 4.819 4.740 -0.000 0.000 0.260 206 N C 1.215 176.778 175.510 0.088 0.000 1.236 206 N CA -0.526 52.572 53.050 0.080 0.000 0.938 206 N CB 0.428 38.976 38.487 0.102 0.000 1.128 206 N HN 0.634 nan 8.380 nan 0.000 0.448 207 R N 1.443 122.000 120.500 0.094 0.000 2.139 207 R HA -0.225 4.115 4.340 -0.000 0.000 0.243 207 R C 1.517 177.898 176.300 0.134 0.000 1.145 207 R CA 1.571 57.727 56.100 0.094 0.000 0.976 207 R CB -0.367 29.989 30.300 0.093 0.000 0.866 207 R HN 0.672 nan 8.270 nan 0.000 0.449 208 Y N 1.683 122.011 120.300 0.046 0.000 2.242 208 Y HA -0.168 4.382 4.550 -0.000 0.000 0.291 208 Y C 1.876 177.797 175.900 0.034 0.000 1.137 208 Y CA 1.493 59.625 58.100 0.054 0.000 1.181 208 Y CB 0.070 38.574 38.460 0.074 0.000 0.989 208 Y HN -0.038 nan 8.280 nan 0.000 0.527 209 E N -0.240 119.994 120.200 0.057 0.000 2.150 209 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 209 E C 2.195 178.753 176.600 -0.069 0.000 0.985 209 E CA 1.240 57.624 56.400 -0.027 0.000 0.814 209 E CB -0.077 29.642 29.700 0.032 0.000 0.752 209 E HN 0.432 nan 8.360 nan 0.000 0.466 210 R N -0.091 120.386 120.500 -0.038 0.000 2.075 210 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 210 R C 2.308 178.563 176.300 -0.075 0.000 1.126 210 R CA 0.986 57.064 56.100 -0.038 0.000 0.963 210 R CB -0.520 29.770 30.300 -0.017 0.000 0.858 210 R HN 0.145 nan 8.270 nan 0.000 0.435 211 L N 1.824 122.980 121.223 -0.112 0.000 2.012 211 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 211 L C 1.902 178.663 176.870 -0.182 0.000 1.073 211 L CA 1.907 56.659 54.840 -0.146 0.000 0.748 211 L CB -0.284 41.660 42.059 -0.192 0.000 0.891 211 L HN -0.042 nan 8.230 nan 0.000 0.431 212 K N -0.017 120.235 120.400 -0.247 0.000 2.026 212 K HA -0.057 4.263 4.320 -0.000 0.000 0.208 212 K C 2.143 178.653 176.600 -0.150 0.000 1.048 212 K CA 1.462 57.618 56.287 -0.219 0.000 0.929 212 K CB -0.953 31.403 32.500 -0.240 0.000 0.713 212 K HN 0.475 nan 8.250 nan 0.000 0.439 213 A N 1.250 123.997 122.820 -0.121 0.000 1.986 213 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 213 A C 2.301 179.836 177.584 -0.082 0.000 1.171 213 A CA 2.353 54.334 52.037 -0.093 0.000 0.640 213 A CB -1.070 17.900 19.000 -0.051 0.000 0.811 213 A HN 0.368 nan 8.150 nan 0.000 0.451 214 T N 0.045 114.552 114.554 -0.078 0.000 2.759 214 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 214 T C 1.973 176.623 174.700 -0.085 0.000 1.042 214 T CA 1.762 63.821 62.100 -0.069 0.000 1.140 214 T CB -0.274 68.556 68.868 -0.064 0.000 0.864 214 T HN 0.699 nan 8.240 nan 0.000 0.455 215 Q N 0.360 120.099 119.800 -0.101 0.000 2.030 215 Q HA -0.104 4.236 4.340 -0.000 0.000 0.204 215 Q C 2.589 178.516 176.000 -0.122 0.000 0.986 215 Q CA 1.481 57.220 55.803 -0.107 0.000 0.843 215 Q CB -0.595 28.075 28.738 -0.114 0.000 0.904 215 Q HN 0.363 nan 8.270 nan 0.000 0.420 216 V N 0.667 120.494 119.914 -0.144 0.000 2.252 216 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 216 V C 2.249 178.246 176.094 -0.163 0.000 1.056 216 V CA 2.121 64.307 62.300 -0.189 0.000 1.022 216 V CB -0.899 30.785 31.823 -0.231 0.000 0.641 216 V HN 0.313 nan 8.190 nan 0.000 0.445 217 S N -0.589 115.042 115.700 -0.115 0.000 2.359 217 S HA -0.330 4.140 4.470 -0.000 0.000 0.223 217 S C 2.044 176.591 174.600 -0.087 0.000 1.039 217 S CA 2.266 60.418 58.200 -0.081 0.000 1.042 217 S CB -0.405 62.767 63.200 -0.047 0.000 0.915 217 S HN 0.592 nan 8.310 nan 0.000 0.439 218 K N 0.693 121.040 120.400 -0.088 0.000 2.057 218 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 218 K C 2.256 178.802 176.600 -0.089 0.000 1.049 218 K CA 1.267 57.503 56.287 -0.084 0.000 0.931 218 K CB -0.620 31.832 32.500 -0.080 0.000 0.714 218 K HN 0.381 nan 8.250 nan 0.000 0.440 219 G N 1.189 109.926 108.800 -0.104 0.000 2.440 219 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 219 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 219 G C 1.460 176.297 174.900 -0.106 0.000 1.154 219 G CA 1.080 46.114 45.100 -0.110 0.000 0.767 219 G HN 0.271 nan 8.290 nan 0.000 0.552 220 I N -0.039 120.463 120.570 -0.114 0.000 2.226 220 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 220 I C 2.828 178.908 176.117 -0.061 0.000 1.100 220 I CA 1.141 62.388 61.300 -0.088 0.000 1.374 220 I CB -0.294 37.659 38.000 -0.078 0.000 1.057 220 I HN 0.120 nan 8.210 nan 0.000 0.413 221 R N 1.081 121.542 120.500 -0.066 0.000 2.070 221 R HA -0.188 4.152 4.340 -0.000 0.000 0.233 221 R C 1.885 178.152 176.300 -0.056 0.000 1.137 221 R CA 2.161 58.226 56.100 -0.060 0.000 0.945 221 R CB -0.146 30.111 30.300 -0.072 0.000 0.845 221 R HN 0.328 nan 8.270 nan 0.000 0.430 222 D N -0.032 120.330 120.400 -0.063 0.000 2.091 222 D HA -0.096 4.544 4.640 -0.000 0.000 0.199 222 D C 1.592 177.856 176.300 -0.060 0.000 0.980 222 D CA 1.044 55.007 54.000 -0.061 0.000 0.831 222 D CB -0.382 40.378 40.800 -0.067 0.000 0.987 222 D HN 0.293 nan 8.370 nan 0.000 0.460 223 N N 0.817 119.477 118.700 -0.067 0.000 2.290 223 N HA -0.054 4.686 4.740 -0.000 0.000 0.179 223 N C 1.537 177.017 175.510 -0.050 0.000 1.016 223 N CA 0.629 53.639 53.050 -0.068 0.000 0.871 223 N CB 0.046 38.484 38.487 -0.083 0.000 0.987 223 N HN 0.372 nan 8.380 nan 0.000 0.431 224 E N 0.083 120.257 120.200 -0.042 0.000 2.340 224 E HA 0.133 4.483 4.350 -0.000 0.000 0.194 224 E C 0.599 177.195 176.600 -0.007 0.000 0.996 224 E CA 0.267 56.656 56.400 -0.018 0.000 0.869 224 E CB 0.477 30.169 29.700 -0.013 0.000 0.835 224 E HN 0.110 nan 8.360 nan 0.000 0.493 225 R N 0.797 121.287 120.500 -0.017 0.000 2.629 225 R HA 0.101 4.441 4.340 -0.000 0.000 0.386 225 R C 0.038 176.327 176.300 -0.019 0.000 1.071 225 R CA 0.134 56.227 56.100 -0.011 0.000 1.104 225 R CB 0.357 30.650 30.300 -0.012 0.000 1.370 225 R HN 0.071 nan 8.270 nan 0.000 0.574 226 S N -0.024 115.661 115.700 -0.026 0.000 3.280 226 S HA -0.247 4.223 4.470 -0.000 0.000 0.349 226 S C 1.152 175.734 174.600 -0.031 0.000 0.936 226 S CA 0.971 59.153 58.200 -0.030 0.000 1.301 226 S CB -1.949 61.237 63.200 -0.024 0.000 0.907 226 S HN 0.788 nan 8.310 nan 0.000 0.516 227 G N 1.292 110.069 108.800 -0.038 0.000 2.302 227 G HA2 -0.369 3.590 3.960 -0.000 0.000 0.263 227 G HA3 -0.369 3.590 3.960 -0.000 0.000 0.263 227 G C 0.248 175.125 174.900 -0.038 0.000 0.995 227 G CA 0.519 45.594 45.100 -0.040 0.000 0.622 227 G HN 0.870 nan 8.290 nan 0.000 0.538 228 R N 0.838 121.321 120.500 -0.029 0.000 3.070 228 R HA 0.634 4.974 4.340 -0.000 0.000 0.252 228 R C 0.115 176.401 176.300 -0.023 0.000 1.370 228 R CA 0.668 56.754 56.100 -0.024 0.000 1.482 228 R CB 0.525 30.816 30.300 -0.014 0.000 1.220 228 R HN 0.926 nan 8.270 nan 0.000 0.622 229 A N 1.644 124.440 122.820 -0.039 0.000 2.581 229 A HA 0.393 4.713 4.320 -0.000 0.000 0.294 229 A C -1.201 176.324 177.584 -0.098 0.000 1.035 229 A CA -0.988 51.021 52.037 -0.047 0.000 0.684 229 A CB 1.204 20.184 19.000 -0.034 0.000 1.282 229 A HN 0.460 nan 8.150 nan 0.000 0.417 230 R N 0.876 121.289 120.500 -0.145 0.000 2.294 230 R HA 0.538 4.878 4.340 -0.000 0.000 0.319 230 R C -0.998 175.018 176.300 -0.473 0.000 0.984 230 R CA -0.638 55.268 56.100 -0.322 0.000 0.861 230 R CB 1.755 31.825 30.300 -0.383 0.000 1.104 230 R HN 0.421 nan 8.270 nan 0.000 0.451 231 V N 4.953 124.625 119.914 -0.404 0.000 2.385 231 V HA 0.143 4.263 4.120 -0.000 0.000 0.269 231 V C 0.146 175.991 176.094 -0.415 0.000 1.043 231 V CA -0.405 61.700 62.300 -0.325 0.000 0.906 231 V CB 0.666 32.391 31.823 -0.163 0.000 0.995 231 V HN 0.609 nan 8.190 nan 0.000 0.467 232 H N 3.404 122.384 119.070 -0.150 0.000 2.476 232 H HA 0.563 5.119 4.556 -0.000 0.000 0.328 232 H C -0.409 174.935 175.328 0.026 0.000 1.073 232 H CA -0.361 55.636 56.048 -0.086 0.000 1.229 232 H CB 2.219 31.879 29.762 -0.171 0.000 1.432 232 H HN 0.480 nan 8.280 nan 0.000 0.477 233 V N 3.387 123.401 119.914 0.167 0.000 2.628 233 V HA 0.670 4.790 4.120 -0.000 0.000 0.306 233 V C -0.474 175.714 176.094 0.157 0.000 1.045 233 V CA -0.223 62.165 62.300 0.147 0.000 0.905 233 V CB 1.644 33.511 31.823 0.073 0.000 0.997 233 V HN 1.034 nan 8.190 nan 0.000 0.436 234 S N 4.639 120.432 115.700 0.156 0.000 2.636 234 S HA 0.734 5.204 4.470 -0.000 0.000 0.268 234 S C -1.258 173.309 174.600 -0.056 0.000 1.159 234 S CA -0.786 57.479 58.200 0.108 0.000 0.815 234 S CB 2.066 65.391 63.200 0.209 0.000 1.130 234 S HN 1.024 nan 8.310 nan 0.000 0.471 235 E N -0.049 120.063 120.200 -0.145 0.000 2.446 235 E HA 0.420 4.770 4.350 -0.000 0.000 0.267 235 E C -1.266 175.170 176.600 -0.272 0.000 0.955 235 E CA -0.983 55.151 56.400 -0.442 0.000 0.842 235 E CB 0.539 30.063 29.700 -0.293 0.000 1.504 235 E HN 0.746 nan 8.360 nan 0.000 0.438 236 E N -0.166 119.852 120.200 -0.303 0.000 2.502 236 E HA 0.208 4.558 4.350 -0.000 0.000 0.261 236 E C 0.668 177.309 176.600 0.068 0.000 0.974 236 E CA 1.214 57.660 56.400 0.075 0.000 0.936 236 E CB 0.093 29.836 29.700 0.072 0.000 0.926 236 E HN 0.860 nan 8.360 nan 0.000 0.459 237 G N 2.990 111.857 108.800 0.112 0.000 2.304 237 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.252 237 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.252 237 G C 0.899 175.842 174.900 0.072 0.000 1.014 237 G CA 0.715 45.850 45.100 0.059 0.000 0.619 237 G HN 0.678 nan 8.290 nan 0.000 0.525 238 T N 0.346 114.958 114.554 0.096 0.000 3.269 238 T HA 0.508 4.858 4.350 -0.000 0.000 0.269 238 T C 0.367 175.157 174.700 0.151 0.000 0.993 238 T CA 0.551 62.708 62.100 0.095 0.000 0.909 238 T CB 0.227 69.133 68.868 0.062 0.000 1.115 238 T HN 0.624 nan 8.240 nan 0.000 0.543 239 E N 1.649 121.973 120.200 0.207 0.000 2.316 239 E HA 0.344 4.694 4.350 -0.000 0.000 0.275 239 E C -2.611 174.061 176.600 0.120 0.000 1.029 239 E CA -2.237 54.305 56.400 0.236 0.000 0.871 239 E CB 0.201 30.088 29.700 0.312 0.000 1.022 239 E HN 0.255 nan 8.360 nan 0.000 0.418 240 P HA 0.001 nan 4.420 nan 0.000 0.271 240 P C 0.793 178.077 177.300 -0.027 0.000 1.244 240 P CA -0.297 62.814 63.100 0.018 0.000 0.793 240 P CB 0.659 32.362 31.700 0.006 0.000 0.984 241 E N 0.598 120.782 120.200 -0.028 0.000 2.058 241 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 241 E C 1.821 178.380 176.600 -0.069 0.000 0.997 241 E CA 1.528 57.909 56.400 -0.032 0.000 0.801 241 E CB -0.462 29.226 29.700 -0.019 0.000 0.746 241 E HN 0.462 nan 8.360 nan 0.000 0.450 242 A N 1.025 123.781 122.820 -0.107 0.000 1.892 242 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 242 A C 2.205 179.657 177.584 -0.219 0.000 1.188 242 A CA 2.048 53.998 52.037 -0.145 0.000 0.631 242 A CB -0.672 18.241 19.000 -0.146 0.000 0.822 242 A HN 0.455 nan 8.150 nan 0.000 0.447 243 M N -1.321 118.086 119.600 -0.322 0.000 2.067 243 M HA -0.113 4.367 4.480 -0.000 0.000 0.260 243 M C 1.785 177.980 176.300 -0.176 0.000 1.069 243 M CA 1.550 56.675 55.300 -0.292 0.000 1.117 243 M CB -0.156 32.294 32.600 -0.249 0.000 1.334 243 M HN 0.316 nan 8.290 nan 0.000 0.407 244 L N 0.307 121.487 121.223 -0.072 0.000 2.141 244 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 244 L C 2.389 179.251 176.870 -0.013 0.000 1.094 244 L CA 1.768 56.615 54.840 0.012 0.000 0.763 244 L CB -1.357 40.725 42.059 0.037 0.000 0.908 244 L HN 0.504 nan 8.230 nan 0.000 0.437 245 Q N -0.974 118.800 119.800 -0.043 0.000 2.119 245 Q HA -0.160 4.180 4.340 -0.000 0.000 0.201 245 Q C 2.211 178.181 176.000 -0.050 0.000 0.972 245 Q CA 1.931 57.712 55.803 -0.037 0.000 0.847 245 Q CB 0.184 28.901 28.738 -0.035 0.000 0.903 245 Q HN 0.483 nan 8.270 nan 0.000 0.433 246 V N -2.058 117.803 119.914 -0.088 0.000 2.599 246 V HA -0.039 4.081 4.120 -0.000 0.000 0.245 246 V C 1.742 177.756 176.094 -0.134 0.000 1.046 246 V CA 0.959 63.200 62.300 -0.098 0.000 1.065 246 V CB -0.205 31.558 31.823 -0.100 0.000 0.703 246 V HN 0.281 nan 8.190 nan 0.000 0.464 247 L N 1.283 122.382 121.223 -0.206 0.000 2.375 247 L HA 0.558 4.898 4.340 -0.000 0.000 0.215 247 L C 1.418 178.261 176.870 -0.045 0.000 1.108 247 L CA 0.772 55.413 54.840 -0.332 0.000 0.830 247 L CB -0.675 40.818 42.059 -0.943 0.000 0.959 247 L HN 0.705 nan 8.230 nan 0.000 0.457 248 G N 0.363 109.198 108.800 0.058 0.000 2.757 248 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.638 248 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.638 248 G C -2.783 172.252 174.900 0.225 0.000 1.344 248 G CA -0.892 44.283 45.100 0.125 0.000 0.855 248 G HN -0.014 nan 8.290 nan 0.000 0.537 249 P HA 0.264 nan 4.420 nan 0.000 0.271 249 P C -0.411 176.771 177.300 -0.197 0.000 1.216 249 P CA -0.031 63.065 63.100 -0.007 0.000 0.776 249 P CB 0.902 32.578 31.700 -0.040 0.000 0.881 250 K N 4.460 124.600 120.400 -0.435 0.000 2.349 250 K HA 0.227 4.547 4.320 -0.000 0.000 0.288 250 K C -1.589 174.584 176.600 -0.712 0.000 1.058 250 K CA -1.424 54.202 56.287 -1.102 0.000 0.953 250 K CB 0.058 31.880 32.500 -1.130 0.000 0.997 250 K HN 0.398 nan 8.250 nan 0.000 0.477 251 P HA 0.200 nan 4.420 nan 0.000 0.312 251 P C -1.228 175.878 177.300 -0.324 0.000 1.308 251 P CA -0.656 62.222 63.100 -0.370 0.000 0.743 251 P CB 0.435 31.986 31.700 -0.247 0.000 1.364 252 A N 0.030 122.742 122.820 -0.180 0.000 2.366 252 A HA 0.489 4.809 4.320 -0.000 0.000 0.272 252 A C 0.198 177.734 177.584 -0.080 0.000 1.135 252 A CA -0.523 51.446 52.037 -0.114 0.000 0.804 252 A CB -0.686 18.276 19.000 -0.063 0.000 1.064 252 A HN 0.420 nan 8.150 nan 0.000 0.499 253 L N 3.573 124.773 121.223 -0.039 0.000 2.343 253 L HA 0.404 4.744 4.340 -0.000 0.000 0.275 253 L C -1.840 175.074 176.870 0.074 0.000 1.056 253 L CA -1.957 52.904 54.840 0.035 0.000 0.804 253 L CB 0.996 43.117 42.059 0.103 0.000 1.203 253 L HN 0.500 nan 8.230 nan 0.000 0.440 254 P HA 0.102 nan 4.420 nan 0.000 0.280 254 P C -0.005 177.367 177.300 0.120 0.000 1.278 254 P CA -0.244 62.913 63.100 0.096 0.000 0.787 254 P CB 0.586 32.346 31.700 0.101 0.000 1.163 255 A N -0.508 122.376 122.820 0.106 0.000 1.862 255 A HA 0.473 4.793 4.320 -0.000 0.000 0.211 255 A C 1.014 178.676 177.584 0.130 0.000 1.220 255 A CA 1.324 53.426 52.037 0.109 0.000 0.616 255 A CB -1.340 17.709 19.000 0.083 0.000 0.878 255 A HN 0.829 nan 8.150 nan 0.000 0.453 256 G N -1.718 107.154 108.800 0.120 0.000 2.712 256 G HA2 0.079 4.039 3.960 -0.000 0.000 0.686 256 G HA3 0.079 4.039 3.960 -0.000 0.000 0.686 256 G C -0.078 174.883 174.900 0.101 0.000 1.321 256 G CA -0.432 44.744 45.100 0.126 0.000 0.813 256 G HN 0.966 nan 8.290 nan 0.000 0.599 257 T N 0.083 114.691 114.554 0.091 0.000 2.640 257 T HA 0.495 4.845 4.350 -0.000 0.000 0.316 257 T C 0.673 175.415 174.700 0.070 0.000 1.036 257 T CA 0.961 63.105 62.100 0.073 0.000 1.009 257 T CB 1.207 70.114 68.868 0.065 0.000 1.017 257 T HN 1.344 nan 8.240 nan 0.000 0.530 266 A N -0.166 122.695 122.820 0.068 0.000 2.571 266 A HA 0.406 4.726 4.320 -0.000 0.000 0.274 266 A C 0.548 178.163 177.584 0.053 0.000 1.196 266 A CA 0.642 52.721 52.037 0.069 0.000 0.957 266 A CB -0.678 18.365 19.000 0.071 0.000 1.150 266 A HN 0.532 nan 8.150 nan 0.000 0.539 267 N N -0.225 118.498 118.700 0.039 0.000 2.461 267 N HA 0.015 4.755 4.740 -0.000 0.000 0.188 267 N C 1.684 177.208 175.510 0.023 0.000 1.134 267 N CA 0.135 53.200 53.050 0.025 0.000 0.878 267 N CB 0.019 38.503 38.487 -0.005 0.000 0.972 267 N HN 0.431 nan 8.380 nan 0.000 0.456 268 R N 0.463 120.999 120.500 0.060 0.000 2.090 268 R HA 0.017 4.357 4.340 -0.000 0.000 0.228 268 R C 1.826 178.286 176.300 0.267 0.000 1.110 268 R CA 0.737 56.928 56.100 0.151 0.000 0.973 268 R CB 0.052 30.399 30.300 0.079 0.000 0.869 268 R HN 0.074 nan 8.270 nan 0.000 0.440 269 K N 0.985 121.463 120.400 0.130 0.000 1.985 269 K HA -0.028 4.292 4.320 -0.000 0.000 0.210 269 K C 0.734 177.404 176.600 0.116 0.000 1.047 269 K CA 1.081 57.411 56.287 0.071 0.000 0.932 269 K CB -0.286 32.229 32.500 0.024 0.000 0.716 269 K HN 0.093 nan 8.250 nan 0.000 0.439 270 L N 0.757 122.076 121.223 0.161 0.000 2.326 270 L HA 0.316 4.656 4.340 -0.000 0.000 0.278 270 L C -0.046 177.006 176.870 0.303 0.000 1.092 270 L CA -0.649 54.291 54.840 0.168 0.000 0.810 270 L CB 1.489 43.627 42.059 0.131 0.000 1.153 270 L HN 0.087 nan 8.230 nan 0.000 0.439 271 A N 3.973 126.957 122.820 0.274 0.000 2.572 271 A HA 0.768 5.088 4.320 -0.000 0.000 0.295 271 A C -1.272 176.559 177.584 0.411 0.000 1.072 271 A CA -0.814 51.444 52.037 0.368 0.000 0.691 271 A CB 1.890 21.100 19.000 0.350 0.000 1.291 271 A HN 0.668 nan 8.150 nan 0.000 0.404 272 K N 0.297 120.912 120.400 0.357 0.000 2.340 272 K HA 0.730 5.050 4.320 -0.000 0.000 0.244 272 K C -1.711 174.792 176.600 -0.162 0.000 0.973 272 K CA -0.852 55.527 56.287 0.154 0.000 0.828 272 K CB 2.399 34.934 32.500 0.060 0.000 1.226 272 K HN 0.423 nan 8.250 nan 0.000 0.437 273 L N 1.807 122.664 121.223 -0.611 0.000 2.346 273 L HA 0.496 4.836 4.340 -0.000 0.000 0.276 273 L C -1.734 174.877 176.870 -0.431 0.000 1.006 273 L CA -0.438 54.030 54.840 -0.620 0.000 0.817 273 L CB 1.017 42.383 42.059 -1.154 0.000 1.272 273 L HN 0.534 nan 8.230 nan 0.000 0.421 274 Y N 2.715 123.018 120.300 0.005 0.000 2.512 274 Y HA 0.498 5.048 4.550 -0.000 0.000 0.348 274 Y C -0.283 175.724 175.900 0.178 0.000 0.990 274 Y CA -0.763 57.395 58.100 0.096 0.000 1.033 274 Y CB 1.947 40.458 38.460 0.086 0.000 1.259 274 Y HN 0.453 nan 8.280 nan 0.000 0.461 275 K N 2.061 122.599 120.400 0.229 0.000 2.143 275 K HA 0.596 4.916 4.320 -0.000 0.000 0.272 275 K C -1.046 175.495 176.600 -0.099 0.000 1.001 275 K CA -0.731 55.442 56.287 -0.190 0.000 0.915 275 K CB 1.134 33.498 32.500 -0.227 0.000 1.047 275 K HN 0.566 nan 8.250 nan 0.000 0.458 276 V N 1.282 121.076 119.914 -0.199 0.000 2.394 276 V HA 0.521 4.641 4.120 -0.000 0.000 0.282 276 V C -0.786 175.252 176.094 -0.093 0.000 1.031 276 V CA -0.321 61.929 62.300 -0.084 0.000 0.881 276 V CB 1.448 33.241 31.823 -0.050 0.000 0.982 276 V HN 0.709 nan 8.190 nan 0.000 0.451 277 S N 4.210 119.885 115.700 -0.041 0.000 2.501 277 S HA 0.491 4.961 4.470 -0.000 0.000 0.301 277 S C 0.288 174.878 174.600 -0.016 0.000 1.096 277 S CA -0.629 57.553 58.200 -0.031 0.000 1.063 277 S CB 0.912 64.103 63.200 -0.014 0.000 1.042 277 S HN 1.044 nan 8.310 nan 0.000 0.494 278 N N 0.505 119.196 118.700 -0.016 0.000 2.688 278 N HA -0.191 4.549 4.740 -0.000 0.000 0.258 278 N C 1.094 176.599 175.510 -0.007 0.000 1.016 278 N CA 0.199 53.243 53.050 -0.009 0.000 0.747 278 N CB -0.603 37.881 38.487 -0.005 0.000 0.895 278 N HN 0.925 nan 8.380 nan 0.000 0.543 279 G N 0.103 108.896 108.800 -0.011 0.000 2.402 279 G HA2 0.024 3.983 3.960 -0.000 0.000 0.216 279 G HA3 0.024 3.983 3.960 -0.000 0.000 0.216 279 G C 0.603 175.501 174.900 -0.003 0.000 1.162 279 G CA 0.934 46.030 45.100 -0.005 0.000 0.777 279 G HN 0.567 nan 8.290 nan 0.000 0.539 280 A N -0.012 122.804 122.820 -0.007 0.000 2.650 280 A HA 0.646 4.966 4.320 -0.000 0.000 0.320 280 A C 1.042 178.621 177.584 -0.007 0.000 1.466 280 A CA 0.729 52.761 52.037 -0.008 0.000 1.099 280 A CB -0.551 18.443 19.000 -0.009 0.000 1.136 280 A HN 1.552 nan 8.150 nan 0.000 0.532 281 G N 0.519 109.315 108.800 -0.006 0.000 1.674 281 G HA2 0.033 3.993 3.960 -0.000 0.000 0.192 281 G HA3 0.033 3.993 3.960 -0.000 0.000 0.192 281 G C 0.238 175.135 174.900 -0.005 0.000 1.551 281 G CA 0.192 45.288 45.100 -0.007 0.000 1.320 281 G HN 1.403 nan 8.290 nan 0.000 0.432 282 T N 1.893 116.445 114.554 -0.004 0.000 2.934 282 T HA 0.593 4.943 4.350 -0.000 0.000 0.328 282 T C -0.005 174.695 174.700 -0.001 0.000 1.068 282 T CA -0.094 62.004 62.100 -0.004 0.000 1.018 282 T CB 0.203 69.068 68.868 -0.006 0.000 1.009 282 T HN 0.523 nan 8.240 nan 0.000 0.471 283 M N 4.380 123.981 119.600 0.002 0.000 2.235 283 M HA 0.492 4.972 4.480 -0.000 0.000 0.351 283 M C -0.202 176.104 176.300 0.010 0.000 1.178 283 M CA 0.031 55.337 55.300 0.009 0.000 1.143 283 M CB 0.874 33.486 32.600 0.021 0.000 1.530 283 M HN 0.778 nan 8.290 nan 0.000 0.461 284 S N 3.851 119.562 115.700 0.017 0.000 2.550 284 S HA 0.785 5.255 4.470 -0.000 0.000 0.270 284 S C -1.076 173.550 174.600 0.043 0.000 1.145 284 S CA -0.848 57.366 58.200 0.024 0.000 0.852 284 S CB 1.709 64.919 63.200 0.017 0.000 1.119 284 S HN 0.729 nan 8.310 nan 0.000 0.465 285 V N -0.578 119.376 119.914 0.066 0.000 2.876 285 V HA 0.918 5.038 4.120 -0.000 0.000 0.312 285 V C -0.484 175.720 176.094 0.183 0.000 1.085 285 V CA -0.673 61.699 62.300 0.120 0.000 0.945 285 V CB 1.473 33.376 31.823 0.132 0.000 1.017 285 V HN 0.946 nan 8.190 nan 0.000 0.428 286 S N 3.733 119.562 115.700 0.215 0.000 2.472 286 S HA 0.696 5.166 4.470 -0.000 0.000 0.303 286 S C -0.507 174.254 174.600 0.268 0.000 1.099 286 S CA -0.498 57.826 58.200 0.207 0.000 1.077 286 S CB 1.528 64.793 63.200 0.109 0.000 1.031 286 S HN 0.928 nan 8.310 nan 0.000 0.487 287 L N 3.875 125.202 121.223 0.172 0.000 2.453 287 L HA 0.237 4.577 4.340 -0.000 0.000 0.272 287 L C 0.411 177.232 176.870 -0.081 0.000 1.182 287 L CA 0.819 55.583 54.840 -0.127 0.000 0.858 287 L CB 0.576 42.570 42.059 -0.107 0.000 1.120 287 L HN 0.604 nan 8.230 nan 0.000 0.474 288 V N 3.552 123.371 119.914 -0.158 0.000 3.480 288 V HA 0.546 4.666 4.120 -0.000 0.000 0.263 288 V C 0.154 176.177 176.094 -0.119 0.000 1.442 288 V CA 0.411 62.671 62.300 -0.067 0.000 1.053 288 V CB 0.218 32.062 31.823 0.036 0.000 0.846 288 V HN 0.881 nan 8.190 nan 0.000 0.440 289 A N 1.018 123.715 122.820 -0.205 0.000 2.512 289 A HA 0.569 4.889 4.320 -0.000 0.000 0.294 289 A C -0.390 177.145 177.584 -0.082 0.000 1.054 289 A CA 0.066 52.035 52.037 -0.112 0.000 0.756 289 A CB 1.120 20.047 19.000 -0.122 0.000 1.293 289 A HN 0.198 nan 8.150 nan 0.000 0.395 290 D N 1.318 121.724 120.400 0.011 0.000 2.369 290 D HA 0.129 4.769 4.640 -0.000 0.000 0.211 290 D C 0.246 176.609 176.300 0.104 0.000 1.077 290 D CA 0.410 54.426 54.000 0.026 0.000 0.842 290 D CB 0.795 41.600 40.800 0.009 0.000 0.947 290 D HN 0.582 nan 8.370 nan 0.000 0.509 291 E N 0.828 121.124 120.200 0.160 0.000 2.335 291 E HA 0.129 4.479 4.350 -0.000 0.000 0.280 291 E C -1.117 175.441 176.600 -0.070 0.000 0.918 291 E CA -0.705 55.740 56.400 0.075 0.000 0.765 291 E CB 1.595 31.303 29.700 0.013 0.000 1.218 291 E HN 0.098 nan 8.360 nan 0.000 0.425 292 N N 3.342 121.808 118.700 -0.390 0.000 2.483 292 N HA 0.374 5.114 4.740 -0.000 0.000 0.269 292 N C -2.459 172.796 175.510 -0.426 0.000 1.209 292 N CA -1.191 51.326 53.050 -0.888 0.000 0.969 292 N CB 0.537 38.421 38.487 -1.005 0.000 1.173 292 N HN 0.202 nan 8.380 nan 0.000 0.475 293 P HA 0.214 nan 4.420 nan 0.000 0.275 293 P C -0.837 176.191 177.300 -0.453 0.000 1.228 293 P CA -0.054 62.745 63.100 -0.501 0.000 0.786 293 P CB 0.309 31.874 31.700 -0.225 0.000 0.927 294 F N 0.490 120.253 119.950 -0.312 0.000 2.380 294 F HA 0.505 5.032 4.527 -0.000 0.000 0.321 294 F C 1.116 176.880 175.800 -0.060 0.000 1.103 294 F CA -1.141 56.674 58.000 -0.309 0.000 1.067 294 F CB 0.149 38.739 39.000 -0.682 0.000 1.265 294 F HN 0.281 nan 8.300 nan 0.000 0.517 295 A N 1.306 124.248 122.820 0.204 0.000 2.354 295 A HA 0.195 4.515 4.320 -0.000 0.000 0.281 295 A C 1.252 178.970 177.584 0.224 0.000 1.174 295 A CA -0.394 51.739 52.037 0.158 0.000 0.828 295 A CB 0.313 19.345 19.000 0.054 0.000 1.099 295 A HN 0.957 nan 8.150 nan 0.000 0.516 296 Q N 2.909 122.809 119.800 0.167 0.000 2.152 296 Q HA -0.199 4.140 4.340 -0.000 0.000 0.206 296 Q C 1.789 177.629 176.000 -0.268 0.000 0.985 296 Q CA 2.201 57.904 55.803 -0.167 0.000 0.863 296 Q CB -0.340 28.126 28.738 -0.453 0.000 0.904 296 Q HN 0.955 nan 8.270 nan 0.000 0.422 297 G N -0.183 108.516 108.800 -0.169 0.000 2.498 297 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 297 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 297 G C 1.334 176.139 174.900 -0.159 0.000 1.119 297 G CA 0.667 45.673 45.100 -0.156 0.000 0.766 297 G HN 0.495 nan 8.290 nan 0.000 0.552 298 A N -0.224 122.497 122.820 -0.165 0.000 2.125 298 A HA 0.216 4.536 4.320 -0.000 0.000 0.219 298 A C 1.013 178.277 177.584 -0.534 0.000 1.156 298 A CA 0.424 52.325 52.037 -0.227 0.000 0.671 298 A CB -0.105 18.780 19.000 -0.191 0.000 0.794 298 A HN 0.246 nan 8.150 nan 0.000 0.459 299 L N 2.029 122.861 121.223 -0.651 0.000 2.401 299 L HA 0.179 4.519 4.340 -0.000 0.000 0.283 299 L C -0.153 176.483 176.870 -0.391 0.000 1.151 299 L CA 0.117 54.340 54.840 -1.028 0.000 0.942 299 L CB 0.253 41.536 42.059 -1.294 0.000 1.283 299 L HN 0.130 nan 8.230 nan 0.000 0.442 300 K N 1.808 122.251 120.400 0.071 0.000 2.205 300 K HA 0.298 4.618 4.320 -0.000 0.000 0.279 300 K C 1.130 178.045 176.600 0.526 0.000 1.027 300 K CA -0.248 56.225 56.287 0.310 0.000 0.932 300 K CB 1.245 33.942 32.500 0.328 0.000 1.032 300 K HN 0.321 nan 8.250 nan 0.000 0.466 301 S N 2.151 118.077 115.700 0.377 0.000 2.399 301 S HA -0.129 4.341 4.470 -0.000 0.000 0.231 301 S C 1.212 175.947 174.600 0.226 0.000 1.022 301 S CA 1.351 59.749 58.200 0.331 0.000 0.983 301 S CB -0.014 63.301 63.200 0.192 0.000 0.803 301 S HN 0.549 nan 8.310 nan 0.000 0.480 302 E N 1.151 121.464 120.200 0.188 0.000 2.338 302 E HA 0.022 4.372 4.350 -0.000 0.000 0.197 302 E C 0.089 176.749 176.600 0.101 0.000 1.007 302 E CA 0.695 57.163 56.400 0.113 0.000 0.849 302 E CB 0.021 29.773 29.700 0.086 0.000 0.774 302 E HN 0.435 nan 8.360 nan 0.000 0.506 303 D N -1.497 119.009 120.400 0.176 0.000 2.467 303 D HA 0.335 4.975 4.640 -0.000 0.000 0.245 303 D C -0.670 175.692 176.300 0.104 0.000 1.038 303 D CA -0.689 53.336 54.000 0.042 0.000 1.038 303 D CB 1.425 42.130 40.800 -0.158 0.000 1.278 303 D HN -0.073 nan 8.370 nan 0.000 0.564 304 C N 0.553 119.792 119.300 -0.101 0.000 2.456 304 C HA 0.682 5.142 4.460 -0.000 0.000 0.325 304 C C -0.665 174.232 174.990 -0.156 0.000 1.217 304 C CA -0.648 58.402 59.018 0.054 0.000 1.687 304 C CB -0.057 27.696 27.740 0.020 0.000 2.270 304 C HN 0.378 nan 8.230 nan 0.000 0.499 305 F N 1.390 121.507 119.950 0.278 0.000 2.577 305 F HA 0.690 5.217 4.527 -0.000 0.000 0.318 305 F C 0.039 175.931 175.800 0.153 0.000 1.065 305 F CA -0.802 57.315 58.000 0.195 0.000 0.929 305 F CB 1.038 40.145 39.000 0.178 0.000 1.237 305 F HN 0.263 nan 8.300 nan 0.000 0.468 306 I N 3.480 124.191 120.570 0.235 0.000 2.378 306 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 306 I C -1.304 174.882 176.117 0.115 0.000 0.992 306 I CA -0.981 60.348 61.300 0.048 0.000 1.154 306 I CB 1.695 39.440 38.000 -0.426 0.000 1.315 306 I HN 0.256 nan 8.210 nan 0.000 0.448 307 L N 7.281 128.607 121.223 0.171 0.000 2.255 307 L HA 0.445 4.785 4.340 -0.000 0.000 0.289 307 L C -0.652 176.309 176.870 0.153 0.000 1.046 307 L CA -0.136 54.753 54.840 0.081 0.000 0.816 307 L CB 0.765 42.822 42.059 -0.004 0.000 1.197 307 L HN 0.441 nan 8.230 nan 0.000 0.427 308 D N 3.133 123.651 120.400 0.197 0.000 2.359 308 D HA 0.183 4.823 4.640 -0.000 0.000 0.230 308 D C -0.472 176.026 176.300 0.330 0.000 1.118 308 D CA 0.159 54.352 54.000 0.321 0.000 0.844 308 D CB 0.515 41.681 40.800 0.610 0.000 1.059 308 D HN 0.621 nan 8.370 nan 0.000 0.493 309 H N 2.126 121.275 119.070 0.131 0.000 2.549 309 H HA 0.379 4.935 4.556 -0.000 0.000 0.253 309 H C 1.442 176.765 175.328 -0.009 0.000 1.170 309 H CA 0.058 56.186 56.048 0.134 0.000 0.943 309 H CB 0.350 30.258 29.762 0.243 0.000 1.849 309 H HN 0.511 nan 8.280 nan 0.000 0.603 310 G N 0.289 108.979 108.800 -0.183 0.000 2.422 310 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 310 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 310 G C 1.558 176.101 174.900 -0.594 0.000 1.146 310 G CA 0.397 45.044 45.100 -0.755 0.000 0.769 310 G HN 0.326 nan 8.290 nan 0.000 0.547 311 K N -0.241 119.999 120.400 -0.267 0.000 2.360 311 K HA -0.054 4.266 4.320 -0.000 0.000 0.201 311 K C 1.409 177.913 176.600 -0.161 0.000 1.046 311 K CA 1.113 57.342 56.287 -0.096 0.000 0.945 311 K CB 0.074 32.595 32.500 0.035 0.000 0.750 311 K HN 0.216 nan 8.250 nan 0.000 0.464 312 D N -1.269 118.945 120.400 -0.310 0.000 2.363 312 D HA 0.096 4.736 4.640 -0.000 0.000 0.214 312 D C 0.403 176.592 176.300 -0.186 0.000 1.093 312 D CA 0.470 54.284 54.000 -0.310 0.000 0.837 312 D CB 0.554 40.958 40.800 -0.661 0.000 0.948 312 D HN 0.215 nan 8.370 nan 0.000 0.507 313 G N 1.142 109.824 108.800 -0.197 0.000 2.137 313 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.237 313 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.237 313 G C 0.290 175.122 174.900 -0.113 0.000 1.002 313 G CA 0.298 45.311 45.100 -0.145 0.000 0.702 313 G HN 0.415 nan 8.290 nan 0.000 0.515 314 K N -0.077 120.257 120.400 -0.110 0.000 2.501 314 K HA 0.730 5.050 4.320 -0.000 0.000 0.252 314 K C -0.195 176.349 176.600 -0.093 0.000 0.934 314 K CA -1.097 55.132 56.287 -0.096 0.000 0.797 314 K CB 1.765 34.244 32.500 -0.034 0.000 1.270 314 K HN 0.614 nan 8.250 nan 0.000 0.431 315 I N -0.461 120.011 120.570 -0.163 0.000 2.828 315 I HA 0.610 4.780 4.170 -0.000 0.000 0.302 315 I C -1.398 174.589 176.117 -0.217 0.000 1.101 315 I CA -0.935 60.318 61.300 -0.079 0.000 1.031 315 I CB 1.606 39.624 38.000 0.030 0.000 1.231 315 I HN 0.356 nan 8.210 nan 0.000 0.427 316 F N 3.553 123.546 119.950 0.072 0.000 2.480 316 F HA 0.692 5.218 4.527 -0.000 0.000 0.329 316 F C -0.180 175.664 175.800 0.074 0.000 1.091 316 F CA -0.933 57.132 58.000 0.108 0.000 0.972 316 F CB 2.242 41.407 39.000 0.275 0.000 1.150 316 F HN 0.145 nan 8.300 nan 0.000 0.467 317 V N 1.969 122.017 119.914 0.223 0.000 2.448 317 V HA 0.211 4.331 4.120 -0.000 0.000 0.295 317 V C -1.293 174.910 176.094 0.181 0.000 1.025 317 V CA -0.966 61.436 62.300 0.170 0.000 0.859 317 V CB 1.506 33.369 31.823 0.067 0.000 0.988 317 V HN 0.774 nan 8.190 nan 0.000 0.431 318 W N 5.434 126.771 121.300 0.061 0.000 2.376 318 W HA 0.546 5.205 4.660 -0.000 0.000 0.312 318 W C -0.067 176.499 176.519 0.079 0.000 1.060 318 W CA -0.715 56.629 57.345 -0.002 0.000 1.221 318 W CB 1.212 30.724 29.460 0.085 0.000 1.281 318 W HN 0.423 nan 8.180 nan 0.000 0.456 319 K N 4.992 125.129 120.400 -0.439 0.000 2.281 319 K HA 0.434 4.754 4.320 -0.000 0.000 0.272 319 K C 0.515 176.633 176.600 -0.804 0.000 1.048 319 K CA -0.700 55.351 56.287 -0.393 0.000 0.898 319 K CB 1.316 33.657 32.500 -0.265 0.000 1.128 319 K HN 0.659 nan 8.250 nan 0.000 0.460 320 G N 1.997 110.500 108.800 -0.495 0.000 2.432 320 G HA2 -0.087 3.872 3.960 -0.000 0.000 0.239 320 G HA3 -0.087 3.872 3.960 -0.000 0.000 0.239 320 G C 0.710 175.484 174.900 -0.210 0.000 1.291 320 G CA -0.494 44.390 45.100 -0.360 0.000 0.863 320 G HN 0.774 nan 8.290 nan 0.000 0.560 321 K N 0.440 120.747 120.400 -0.154 0.000 2.519 321 K HA -0.078 4.242 4.320 -0.000 0.000 0.196 321 K C 1.481 178.058 176.600 -0.038 0.000 1.041 321 K CA 1.152 57.384 56.287 -0.092 0.000 0.954 321 K CB 0.252 32.722 32.500 -0.051 0.000 0.774 321 K HN 0.445 nan 8.250 nan 0.000 0.480 322 Q N 0.191 119.986 119.800 -0.008 0.000 2.189 322 Q HA 0.320 4.660 4.340 -0.000 0.000 0.223 322 Q C -0.335 175.674 176.000 0.014 0.000 0.828 322 Q CA -0.189 55.622 55.803 0.013 0.000 0.967 322 Q CB 1.221 29.983 28.738 0.041 0.000 1.139 322 Q HN 0.429 nan 8.270 nan 0.000 0.497 323 A N 1.699 124.521 122.820 0.004 0.000 2.425 323 A HA 0.241 4.561 4.320 -0.000 0.000 0.242 323 A C 0.179 177.758 177.584 -0.010 0.000 1.077 323 A CA -0.427 51.611 52.037 0.002 0.000 0.781 323 A CB 0.066 19.063 19.000 -0.005 0.000 1.020 323 A HN 0.524 nan 8.150 nan 0.000 0.494 324 N N 0.933 119.629 118.700 -0.008 0.000 2.444 324 N HA 0.027 4.767 4.740 -0.000 0.000 0.255 324 N C 0.637 176.139 175.510 -0.014 0.000 1.255 324 N CA 0.468 53.512 53.050 -0.009 0.000 0.933 324 N CB 0.259 38.742 38.487 -0.006 0.000 1.143 324 N HN 0.465 nan 8.380 nan 0.000 0.453 325 T N 0.962 115.509 114.554 -0.012 0.000 2.665 325 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 325 T C 1.444 176.136 174.700 -0.013 0.000 1.035 325 T CA 1.578 63.671 62.100 -0.013 0.000 1.151 325 T CB -0.206 68.657 68.868 -0.009 0.000 0.862 325 T HN 0.572 nan 8.240 nan 0.000 0.438 326 E N 0.370 120.564 120.200 -0.011 0.000 2.097 326 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 326 E C 2.328 178.920 176.600 -0.013 0.000 1.000 326 E CA 1.374 57.767 56.400 -0.011 0.000 0.804 326 E CB -0.127 29.567 29.700 -0.010 0.000 0.740 326 E HN 0.453 nan 8.360 nan 0.000 0.454 327 E N 0.863 121.054 120.200 -0.015 0.000 2.031 327 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 327 E C 2.004 178.592 176.600 -0.020 0.000 0.994 327 E CA 1.316 57.706 56.400 -0.017 0.000 0.800 327 E CB 0.084 29.773 29.700 -0.019 0.000 0.752 327 E HN 0.081 nan 8.360 nan 0.000 0.447 328 R N -0.119 120.366 120.500 -0.026 0.000 2.115 328 R HA -0.012 4.328 4.340 -0.000 0.000 0.230 328 R C 2.121 178.404 176.300 -0.027 0.000 1.111 328 R CA 1.242 57.321 56.100 -0.035 0.000 0.976 328 R CB -0.098 30.174 30.300 -0.047 0.000 0.870 328 R HN 0.038 nan 8.270 nan 0.000 0.445 329 K N -0.103 120.285 120.400 -0.020 0.000 2.459 329 K HA 0.078 4.398 4.320 -0.000 0.000 0.193 329 K C 1.047 177.637 176.600 -0.016 0.000 1.030 329 K CA 0.511 56.788 56.287 -0.016 0.000 1.026 329 K CB 0.568 33.061 32.500 -0.012 0.000 0.809 329 K HN 0.088 nan 8.250 nan 0.000 0.504 330 A N 0.014 122.826 122.820 -0.014 0.000 2.503 330 A HA 0.362 4.682 4.320 -0.000 0.000 0.263 330 A C 1.677 179.261 177.584 -0.001 0.000 1.258 330 A CA 0.254 52.285 52.037 -0.009 0.000 0.936 330 A CB 0.062 19.057 19.000 -0.008 0.000 1.070 330 A HN 0.204 nan 8.150 nan 0.000 0.522 331 A N 0.166 122.985 122.820 -0.002 0.000 1.883 331 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 331 A C 1.870 179.468 177.584 0.024 0.000 1.186 331 A CA 1.671 53.712 52.037 0.006 0.000 0.624 331 A CB -0.457 18.540 19.000 -0.005 0.000 0.822 331 A HN 0.407 nan 8.150 nan 0.000 0.444 332 L N -0.005 121.237 121.223 0.031 0.000 2.042 332 L HA -0.166 4.173 4.340 -0.000 0.000 0.210 332 L C 2.400 179.306 176.870 0.061 0.000 1.076 332 L CA 2.335 57.214 54.840 0.066 0.000 0.749 332 L CB -1.010 41.093 42.059 0.074 0.000 0.893 332 L HN 0.530 nan 8.230 nan 0.000 0.432 333 K N -1.207 119.214 120.400 0.035 0.000 2.057 333 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 333 K C 1.935 178.560 176.600 0.042 0.000 1.049 333 K CA 1.745 58.050 56.287 0.031 0.000 0.931 333 K CB 0.018 32.524 32.500 0.010 0.000 0.714 333 K HN 0.276 nan 8.250 nan 0.000 0.440 334 T N 0.975 115.552 114.554 0.039 0.000 2.684 334 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 334 T C 1.844 176.597 174.700 0.089 0.000 1.036 334 T CA 1.444 63.575 62.100 0.052 0.000 1.148 334 T CB -0.363 68.523 68.868 0.030 0.000 0.863 334 T HN 0.427 nan 8.240 nan 0.000 0.436 335 A N 1.348 124.213 122.820 0.074 0.000 1.873 335 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 335 A C 2.641 180.314 177.584 0.148 0.000 1.193 335 A CA 2.279 54.376 52.037 0.100 0.000 0.629 335 A CB -1.176 17.864 19.000 0.067 0.000 0.826 335 A HN 0.438 nan 8.150 nan 0.000 0.447 336 S N 0.022 115.782 115.700 0.100 0.000 2.359 336 S HA -0.202 4.268 4.470 -0.000 0.000 0.223 336 S C 1.716 176.363 174.600 0.078 0.000 1.039 336 S CA 1.650 59.897 58.200 0.078 0.000 1.042 336 S CB -0.566 62.665 63.200 0.051 0.000 0.915 336 S HN 0.634 nan 8.310 nan 0.000 0.439 337 D N 0.305 120.750 120.400 0.076 0.000 2.149 337 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 337 D C 1.566 177.899 176.300 0.055 0.000 0.990 337 D CA 0.775 54.804 54.000 0.049 0.000 0.839 337 D CB -0.403 40.425 40.800 0.045 0.000 0.948 337 D HN 0.398 nan 8.370 nan 0.000 0.460 338 F N 1.191 121.126 119.950 -0.025 0.000 2.102 338 F HA -0.118 4.409 4.527 -0.000 0.000 0.298 338 F C 2.190 177.984 175.800 -0.011 0.000 1.105 338 F CA 1.036 59.013 58.000 -0.039 0.000 1.239 338 F CB -0.215 38.772 39.000 -0.022 0.000 0.991 338 F HN -0.139 nan 8.300 nan 0.000 0.474 339 I N -0.353 120.309 120.570 0.153 0.000 2.208 339 I HA -0.354 3.816 4.170 -0.000 0.000 0.245 339 I C 2.229 178.307 176.117 -0.064 0.000 1.097 339 I CA 1.843 63.209 61.300 0.111 0.000 1.363 339 I CB -0.870 37.219 38.000 0.148 0.000 1.051 339 I HN 0.163 nan 8.210 nan 0.000 0.413 340 T N 0.371 114.884 114.554 -0.069 0.000 2.674 340 T HA -0.256 4.094 4.350 -0.000 0.000 0.265 340 T C 1.895 176.485 174.700 -0.184 0.000 1.039 340 T CA 1.735 63.773 62.100 -0.103 0.000 1.150 340 T CB -0.277 68.552 68.868 -0.065 0.000 0.864 340 T HN 0.299 nan 8.240 nan 0.000 0.427 341 K N 0.492 120.756 120.400 -0.227 0.000 2.103 341 K HA -0.045 4.275 4.320 -0.000 0.000 0.207 341 K C 1.885 178.250 176.600 -0.391 0.000 1.048 341 K CA 1.267 57.387 56.287 -0.278 0.000 0.930 341 K CB -0.081 32.252 32.500 -0.278 0.000 0.716 341 K HN 0.180 nan 8.250 nan 0.000 0.444 342 M N 0.474 119.727 119.600 -0.580 0.000 2.495 342 M HA 0.015 4.495 4.480 -0.000 0.000 0.237 342 M C -0.029 175.851 176.300 -0.700 0.000 1.131 342 M CA 0.557 55.407 55.300 -0.749 0.000 1.032 342 M CB -0.221 31.682 32.600 -1.162 0.000 1.513 342 M HN 0.192 nan 8.290 nan 0.000 0.488 343 D N 0.421 120.561 120.400 -0.434 0.000 2.870 343 D HA -0.216 4.424 4.640 -0.000 0.000 0.228 343 D C -1.031 175.139 176.300 -0.217 0.000 1.147 343 D CA 0.551 54.387 54.000 -0.274 0.000 0.757 343 D CB -1.092 39.577 40.800 -0.220 0.000 1.091 343 D HN 0.227 nan 8.370 nan 0.000 0.429 344 Y N -0.603 119.631 120.300 -0.110 0.000 2.300 344 Y HA 0.434 4.984 4.550 -0.000 0.000 0.328 344 Y C -1.219 174.622 175.900 -0.097 0.000 1.270 344 Y CA -2.131 55.918 58.100 -0.086 0.000 1.352 344 Y CB -0.247 38.175 38.460 -0.062 0.000 1.286 344 Y HN -0.040 nan 8.280 nan 0.000 0.536 345 P HA -0.013 nan 4.420 nan 0.000 0.266 345 P C 0.320 177.569 177.300 -0.085 0.000 1.193 345 P CA 0.149 63.210 63.100 -0.065 0.000 0.770 345 P CB 0.667 32.272 31.700 -0.157 0.000 0.836 346 K N 1.617 121.945 120.400 -0.120 0.000 2.288 346 K HA -0.119 4.201 4.320 -0.000 0.000 0.201 346 K C 1.640 178.140 176.600 -0.166 0.000 1.048 346 K CA 0.912 57.131 56.287 -0.113 0.000 0.956 346 K CB 0.126 32.567 32.500 -0.099 0.000 0.746 346 K HN 0.559 nan 8.250 nan 0.000 0.461 347 Q N 0.101 119.737 119.800 -0.274 0.000 2.451 347 Q HA 0.006 4.346 4.340 -0.000 0.000 0.206 347 Q C 0.096 175.943 176.000 -0.255 0.000 0.947 347 Q CA 0.417 56.018 55.803 -0.338 0.000 0.937 347 Q CB -0.735 27.573 28.738 -0.717 0.000 1.025 347 Q HN -0.069 nan 8.270 nan 0.000 0.511 348 T N 3.474 117.906 114.554 -0.203 0.000 2.923 348 T HA -0.043 4.307 4.350 -0.000 0.000 0.304 348 T C 0.128 174.762 174.700 -0.111 0.000 1.044 348 T CA 0.477 62.490 62.100 -0.145 0.000 1.141 348 T CB 0.345 69.147 68.868 -0.109 0.000 1.023 348 T HN 0.289 nan 8.240 nan 0.000 0.533 349 Q N 1.339 121.081 119.800 -0.096 0.000 2.340 349 Q HA 0.471 4.811 4.340 -0.000 0.000 0.249 349 Q C -0.539 175.399 176.000 -0.103 0.000 0.957 349 Q CA -0.489 55.263 55.803 -0.086 0.000 0.882 349 Q CB 0.931 29.634 28.738 -0.058 0.000 1.235 349 Q HN 0.392 nan 8.270 nan 0.000 0.439 350 V N 1.338 121.201 119.914 -0.085 0.000 2.656 350 V HA 0.416 4.536 4.120 -0.000 0.000 0.307 350 V C -0.606 175.444 176.094 -0.074 0.000 1.051 350 V CA -0.677 61.574 62.300 -0.082 0.000 0.893 350 V CB 2.193 33.999 31.823 -0.028 0.000 0.999 350 V HN 0.691 nan 8.190 nan 0.000 0.426 351 S N 2.456 118.076 115.700 -0.132 0.000 2.605 351 S HA 0.629 5.099 4.470 -0.000 0.000 0.308 351 S C -0.588 173.974 174.600 -0.063 0.000 1.113 351 S CA -0.522 57.602 58.200 -0.127 0.000 1.049 351 S CB 1.741 64.875 63.200 -0.110 0.000 1.001 351 S HN 0.921 nan 8.310 nan 0.000 0.480 352 V N 4.496 124.346 119.914 -0.106 0.000 2.435 352 V HA 0.751 4.871 4.120 -0.000 0.000 0.290 352 V C -1.085 174.932 176.094 -0.129 0.000 1.030 352 V CA -0.550 61.707 62.300 -0.071 0.000 0.881 352 V CB 0.897 32.692 31.823 -0.046 0.000 0.983 352 V HN 0.744 nan 8.190 nan 0.000 0.445 353 L N 6.710 127.841 121.223 -0.153 0.000 2.365 353 L HA 0.683 5.023 4.340 -0.000 0.000 0.273 353 L C -2.539 174.125 176.870 -0.343 0.000 1.000 353 L CA -1.953 52.746 54.840 -0.236 0.000 0.819 353 L CB 2.657 44.523 42.059 -0.320 0.000 1.284 353 L HN 0.460 nan 8.230 nan 0.000 0.418 354 P HA 0.131 nan 4.420 nan 0.000 0.286 354 P C -0.877 176.148 177.300 -0.458 0.000 1.261 354 P CA -0.566 62.320 63.100 -0.356 0.000 0.821 354 P CB 1.078 32.670 31.700 -0.180 0.000 1.013 355 E N 1.252 121.063 120.200 -0.649 0.000 2.465 355 E HA 0.196 4.546 4.350 -0.000 0.000 0.260 355 E C 1.058 177.620 176.600 -0.063 0.000 0.980 355 E CA 0.926 57.072 56.400 -0.423 0.000 0.927 355 E CB -0.778 28.677 29.700 -0.409 0.000 0.934 355 E HN 0.795 nan 8.360 nan 0.000 0.459 356 G N 2.888 111.772 108.800 0.140 0.000 2.217 356 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.246 356 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.246 356 G C 0.614 175.584 174.900 0.117 0.000 0.990 356 G CA 0.110 45.299 45.100 0.149 0.000 0.627 356 G HN 0.921 nan 8.290 nan 0.000 0.522 357 G N 0.170 109.003 108.800 0.055 0.000 3.899 357 G HA2 0.542 4.502 3.960 -0.000 0.000 0.293 357 G HA3 0.542 4.502 3.960 -0.000 0.000 0.293 357 G C 0.111 175.016 174.900 0.009 0.000 1.054 357 G CA 0.192 45.326 45.100 0.056 0.000 0.846 357 G HN 0.446 nan 8.290 nan 0.000 0.525 358 E N 1.387 121.579 120.200 -0.013 0.000 2.398 358 E HA 0.345 4.695 4.350 -0.000 0.000 0.263 358 E C 0.915 177.397 176.600 -0.197 0.000 1.046 358 E CA 0.102 56.412 56.400 -0.151 0.000 0.908 358 E CB 0.679 30.275 29.700 -0.174 0.000 0.963 358 E HN 0.268 nan 8.360 nan 0.000 0.431 359 T N 0.211 114.598 114.554 -0.278 0.000 2.904 359 T HA 0.196 4.546 4.350 -0.000 0.000 0.290 359 T C -1.746 172.862 174.700 -0.154 0.000 1.018 359 T CA -1.824 60.049 62.100 -0.379 0.000 1.075 359 T CB 1.119 69.730 68.868 -0.430 0.000 0.986 359 T HN 0.167 nan 8.240 nan 0.000 0.523 360 P HA -0.169 nan 4.420 nan 0.000 0.218 360 P C 1.524 178.791 177.300 -0.054 0.000 1.154 360 P CA 1.121 64.153 63.100 -0.113 0.000 0.872 360 P CB -0.178 31.491 31.700 -0.051 0.000 0.790 361 L N -2.476 118.787 121.223 0.067 0.000 2.131 361 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 361 L C 2.631 179.591 176.870 0.150 0.000 1.092 361 L CA 1.508 56.440 54.840 0.153 0.000 0.759 361 L CB -1.803 40.452 42.059 0.328 0.000 0.903 361 L HN -0.135 nan 8.230 nan 0.000 0.435 362 F N 1.145 121.022 119.950 -0.123 0.000 2.051 362 F HA -0.190 4.337 4.527 -0.000 0.000 0.296 362 F C 2.398 178.176 175.800 -0.038 0.000 1.122 362 F CA 1.627 59.428 58.000 -0.331 0.000 1.201 362 F CB -0.235 38.495 39.000 -0.449 0.000 0.978 362 F HN -0.092 nan 8.300 nan 0.000 0.472 363 K N -0.203 120.062 120.400 -0.225 0.000 2.211 363 K HA -0.218 4.102 4.320 -0.000 0.000 0.204 363 K C 1.882 178.478 176.600 -0.006 0.000 1.047 363 K CA 1.569 57.581 56.287 -0.460 0.000 0.935 363 K CB -0.404 31.535 32.500 -0.935 0.000 0.728 363 K HN 0.471 nan 8.250 nan 0.000 0.452 364 Q N -0.311 119.452 119.800 -0.062 0.000 2.488 364 Q HA -0.037 4.303 4.340 -0.000 0.000 0.211 364 Q C 0.925 176.802 176.000 -0.203 0.000 0.967 364 Q CA 0.640 56.398 55.803 -0.075 0.000 0.926 364 Q CB 0.017 28.681 28.738 -0.123 0.000 0.992 364 Q HN 0.276 nan 8.270 nan 0.000 0.506 365 F N -0.914 118.922 119.950 -0.190 0.000 2.811 365 F HA 0.064 4.591 4.527 -0.000 0.000 0.301 365 F C 0.093 175.509 175.800 -0.641 0.000 1.151 365 F CA 0.211 57.914 58.000 -0.495 0.000 1.412 365 F CB 0.389 38.999 39.000 -0.649 0.000 1.113 365 F HN -0.091 nan 8.300 nan 0.000 0.579 366 F N -0.235 119.709 119.950 -0.010 0.000 2.522 366 F HA 0.391 4.917 4.527 -0.000 0.000 0.324 366 F C 0.279 176.114 175.800 0.057 0.000 1.077 366 F CA -1.729 56.312 58.000 0.068 0.000 0.944 366 F CB 0.930 40.073 39.000 0.238 0.000 1.175 366 F HN -0.427 nan 8.300 nan 0.000 0.468 367 K N 1.803 122.323 120.400 0.200 0.000 2.436 367 K HA 0.067 4.387 4.320 -0.000 0.000 0.282 367 K C -0.371 176.331 176.600 0.170 0.000 1.044 367 K CA 0.161 56.528 56.287 0.132 0.000 1.028 367 K CB -0.415 32.132 32.500 0.077 0.000 0.919 367 K HN 0.623 nan 8.250 nan 0.000 0.474 368 N N 2.108 120.912 118.700 0.173 0.000 2.664 368 N HA -0.231 4.509 4.740 -0.000 0.000 0.296 368 N C -0.959 174.658 175.510 0.178 0.000 1.153 368 N CA 0.146 53.301 53.050 0.174 0.000 0.765 368 N CB -0.143 38.413 38.487 0.116 0.000 0.962 368 N HN 0.563 nan 8.380 nan 0.000 0.564 369 W N 2.941 124.272 121.300 0.051 0.000 2.489 369 W HA 0.090 4.750 4.660 -0.000 0.000 0.327 369 W C -0.404 176.111 176.519 -0.006 0.000 1.436 369 W CA -0.042 57.300 57.345 -0.006 0.000 1.315 369 W CB 0.328 29.768 29.460 -0.033 0.000 1.373 369 W HN 0.308 nan 8.180 nan 0.000 0.557 370 R N 5.195 125.516 120.500 -0.298 0.000 2.337 370 R HA 0.148 4.488 4.340 -0.000 0.000 0.319 370 R C -0.490 175.630 176.300 -0.301 0.000 0.954 370 R CA -0.612 55.392 56.100 -0.160 0.000 0.840 370 R CB 1.050 31.291 30.300 -0.098 0.000 1.164 370 R HN 0.415 nan 8.270 nan 0.000 0.472 371 D N 2.782 123.154 120.400 -0.048 0.000 2.225 371 D HA 0.386 5.026 4.640 -0.000 0.000 0.249 371 D C -1.848 174.461 176.300 0.015 0.000 1.052 371 D CA -1.666 52.346 54.000 0.021 0.000 0.909 371 D CB 0.368 41.334 40.800 0.277 0.000 1.186 371 D HN 0.065 nan 8.370 nan 0.000 0.431 372 P HA 0.044 nan 4.420 nan 0.000 0.335 372 P C -0.113 177.202 177.300 0.025 0.000 1.416 372 P CA -0.136 62.967 63.100 0.004 0.000 0.828 372 P CB -0.183 31.521 31.700 0.006 0.000 1.966 373 D N -1.148 119.266 120.400 0.023 0.000 2.594 373 D HA -0.161 4.479 4.640 -0.000 0.000 0.258 373 D C 0.538 176.859 176.300 0.034 0.000 1.332 373 D CA 0.601 54.616 54.000 0.026 0.000 1.022 373 D CB -1.032 39.781 40.800 0.021 0.000 1.055 373 D HN 0.279 nan 8.370 nan 0.000 0.472 374 Q N -0.846 118.980 119.800 0.044 0.000 2.179 374 Q HA 0.065 4.405 4.340 -0.000 0.000 0.213 374 Q C 0.871 176.901 176.000 0.050 0.000 0.833 374 Q CA 0.021 55.855 55.803 0.052 0.000 0.990 374 Q CB 0.798 29.580 28.738 0.074 0.000 1.132 374 Q HN 0.389 nan 8.270 nan 0.000 0.493 375 T N 0.261 114.842 114.554 0.044 0.000 2.896 375 T HA -0.041 4.309 4.350 -0.000 0.000 0.263 375 T C 0.503 175.225 174.700 0.037 0.000 1.050 375 T CA 0.636 62.762 62.100 0.043 0.000 1.140 375 T CB 0.008 68.900 68.868 0.040 0.000 0.877 375 T HN 0.153 nan 8.240 nan 0.000 0.457 376 D N 1.358 121.777 120.400 0.032 0.000 2.390 376 D HA 0.482 5.122 4.640 -0.000 0.000 0.249 376 D C 0.949 177.264 176.300 0.025 0.000 1.144 376 D CA 1.032 55.048 54.000 0.027 0.000 0.880 376 D CB 0.700 41.514 40.800 0.023 0.000 1.182 376 D HN 0.441 nan 8.370 nan 0.000 0.451 377 G N 0.898 109.712 108.800 0.022 0.000 2.500 377 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.209 377 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.209 377 G C -1.023 173.888 174.900 0.018 0.000 1.283 377 G CA -0.782 44.328 45.100 0.018 0.000 0.960 377 G HN 0.471 nan 8.290 nan 0.000 0.528 378 L N 0.902 122.131 121.223 0.011 0.000 2.317 378 L HA 0.678 5.018 4.340 -0.000 0.000 0.281 378 L C 1.305 178.176 176.870 0.003 0.000 1.024 378 L CA -0.141 54.704 54.840 0.008 0.000 0.810 378 L CB 0.635 42.695 42.059 0.002 0.000 1.240 378 L HN 2.525 nan 8.230 nan 0.000 0.427 379 G N 2.274 111.076 108.800 0.003 0.000 2.697 379 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.240 379 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.240 379 G C -0.782 174.123 174.900 0.007 0.000 1.346 379 G CA -0.191 44.906 45.100 -0.005 0.000 0.887 379 G HN 0.561 nan 8.290 nan 0.000 0.569 380 L N -0.940 120.286 121.223 0.006 0.000 2.218 380 L HA 0.516 4.856 4.340 -0.000 0.000 0.243 380 L C 2.416 179.317 176.870 0.051 0.000 1.132 380 L CA -0.053 54.807 54.840 0.032 0.000 1.052 380 L CB 1.058 43.130 42.059 0.022 0.000 1.599 380 L HN 1.132 nan 8.230 nan 0.000 0.468 381 S N -0.440 115.313 115.700 0.088 0.000 2.390 381 S HA -0.269 4.201 4.470 -0.000 0.000 0.234 381 S C 0.131 174.825 174.600 0.157 0.000 1.063 381 S CA 1.649 59.922 58.200 0.122 0.000 1.108 381 S CB -0.371 62.905 63.200 0.126 0.000 0.975 381 S HN 0.521 nan 8.310 nan 0.000 0.442 382 Y N -0.482 119.807 120.300 -0.018 0.000 2.513 382 Y HA 0.619 5.169 4.550 -0.000 0.000 0.340 382 Y C -1.518 174.367 175.900 -0.025 0.000 1.055 382 Y CA -1.499 56.593 58.100 -0.013 0.000 1.020 382 Y CB 1.656 40.115 38.460 -0.002 0.000 1.301 382 Y HN 0.275 nan 8.280 nan 0.000 0.453 383 L N 4.699 125.626 121.223 -0.492 0.000 2.298 383 L HA 0.541 4.881 4.340 -0.000 0.000 0.284 383 L C -0.467 176.123 176.870 -0.467 0.000 1.013 383 L CA -0.023 54.612 54.840 -0.342 0.000 0.824 383 L CB 1.294 43.202 42.059 -0.252 0.000 1.221 383 L HN 0.663 nan 8.230 nan 0.000 0.418 384 S N 2.380 118.003 115.700 -0.129 0.000 2.544 384 S HA -0.041 4.428 4.470 -0.000 0.000 0.290 384 S C 1.457 176.016 174.600 -0.069 0.000 1.276 384 S CA 0.583 58.810 58.200 0.045 0.000 1.075 384 S CB 0.840 64.090 63.200 0.083 0.000 0.849 384 S HN 0.849 nan 8.310 nan 0.000 0.494 385 S N 2.425 118.163 115.700 0.063 0.000 2.380 385 S HA -0.220 4.250 4.470 -0.000 0.000 0.229 385 S C 1.991 176.623 174.600 0.055 0.000 1.043 385 S CA 1.840 60.084 58.200 0.073 0.000 1.038 385 S CB -0.455 62.887 63.200 0.237 0.000 0.872 385 S HN 0.949 nan 8.310 nan 0.000 0.456 386 H N 0.955 120.036 119.070 0.018 0.000 2.561 386 H HA 0.059 4.615 4.556 -0.000 0.000 0.278 386 H C 1.533 176.844 175.328 -0.028 0.000 1.014 386 H CA 1.317 57.354 56.048 -0.018 0.000 1.211 386 H CB -0.499 29.237 29.762 -0.043 0.000 1.365 386 H HN 0.722 nan 8.280 nan 0.000 0.594 387 I N -3.412 116.931 120.570 -0.377 0.000 4.050 387 I HA 0.526 4.696 4.170 -0.000 0.000 0.327 387 I C 1.972 178.008 176.117 -0.135 0.000 1.473 387 I CA -0.097 61.058 61.300 -0.242 0.000 1.124 387 I CB 0.481 38.307 38.000 -0.290 0.000 1.129 387 I HN 0.044 nan 8.210 nan 0.000 0.428 388 A N 2.059 124.807 122.820 -0.119 0.000 1.978 388 A HA -0.178 4.141 4.320 -0.000 0.000 0.220 388 A C 1.921 179.463 177.584 -0.069 0.000 1.170 388 A CA 2.002 53.982 52.037 -0.096 0.000 0.636 388 A CB -0.660 18.287 19.000 -0.089 0.000 0.810 388 A HN 0.563 nan 8.150 nan 0.000 0.448 389 N N -0.094 118.573 118.700 -0.055 0.000 2.409 389 N HA 0.003 4.742 4.740 -0.000 0.000 0.179 389 N C 0.299 175.789 175.510 -0.034 0.000 1.032 389 N CA 0.529 53.554 53.050 -0.041 0.000 0.898 389 N CB -0.271 38.196 38.487 -0.033 0.000 0.971 389 N HN 0.254 nan 8.380 nan 0.000 0.441 390 V N 2.436 122.332 119.914 -0.031 0.000 2.485 390 V HA -0.021 4.098 4.120 -0.000 0.000 0.287 390 V C 0.866 176.946 176.094 -0.023 0.000 1.022 390 V CA -0.403 61.887 62.300 -0.017 0.000 1.067 390 V CB 0.351 32.181 31.823 0.013 0.000 0.967 390 V HN 0.178 nan 8.190 nan 0.000 0.479 391 E N 5.662 125.847 120.200 -0.026 0.000 2.324 391 E HA 0.098 4.448 4.350 -0.000 0.000 0.271 391 E C -0.315 176.271 176.600 -0.023 0.000 1.028 391 E CA -0.848 55.538 56.400 -0.023 0.000 0.890 391 E CB 0.452 30.138 29.700 -0.023 0.000 1.004 391 E HN 0.454 nan 8.360 nan 0.000 0.431 392 R N 3.455 123.948 120.500 -0.011 0.000 2.288 392 R HA 0.139 4.479 4.340 -0.000 0.000 0.330 392 R C -0.326 175.986 176.300 0.019 0.000 1.069 392 R CA -0.327 55.772 56.100 -0.000 0.000 0.941 392 R CB 0.512 30.819 30.300 0.013 0.000 0.998 392 R HN 0.326 nan 8.270 nan 0.000 0.452 393 V N 5.327 125.259 119.914 0.029 0.000 2.370 393 V HA 0.444 4.564 4.120 -0.000 0.000 0.279 393 V C -2.207 174.006 176.094 0.197 0.000 1.029 393 V CA -2.353 59.987 62.300 0.068 0.000 0.870 393 V CB 1.655 33.497 31.823 0.031 0.000 0.984 393 V HN 0.544 nan 8.190 nan 0.000 0.451 394 P HA 0.229 nan 4.420 nan 0.000 0.274 394 P C -0.868 176.489 177.300 0.096 0.000 1.237 394 P CA -0.250 62.975 63.100 0.208 0.000 0.793 394 P CB 0.356 32.115 31.700 0.099 0.000 0.977 395 F N 1.753 121.553 119.950 -0.248 0.000 2.504 395 F HA 0.227 4.754 4.527 -0.000 0.000 0.369 395 F C 0.177 175.882 175.800 -0.158 0.000 1.082 395 F CA 0.375 58.131 58.000 -0.408 0.000 1.216 395 F CB 0.308 38.915 39.000 -0.654 0.000 1.108 395 F HN 0.186 nan 8.300 nan 0.000 0.554 396 D N 4.994 124.826 120.400 -0.947 0.000 2.386 396 D HA 0.351 4.991 4.640 -0.000 0.000 0.247 396 D C 0.483 176.303 176.300 -0.799 0.000 1.336 396 D CA 0.012 53.596 54.000 -0.693 0.000 0.976 396 D CB 1.517 42.129 40.800 -0.313 0.000 1.257 396 D HN 0.614 nan 8.370 nan 0.000 0.570 397 A N 3.394 125.760 122.820 -0.757 0.000 1.958 397 A HA -0.127 4.193 4.320 -0.000 0.000 0.221 397 A C 2.093 179.592 177.584 -0.141 0.000 1.178 397 A CA 2.257 54.085 52.037 -0.347 0.000 0.642 397 A CB -0.604 18.380 19.000 -0.027 0.000 0.816 397 A HN 0.662 nan 8.150 nan 0.000 0.453 398 A N -1.143 121.604 122.820 -0.122 0.000 2.016 398 A HA 0.068 4.388 4.320 -0.000 0.000 0.217 398 A C 2.145 179.733 177.584 0.007 0.000 1.162 398 A CA 2.062 54.089 52.037 -0.017 0.000 0.662 398 A CB -0.692 18.294 19.000 -0.023 0.000 0.812 398 A HN 0.854 nan 8.150 nan 0.000 0.450 399 T N -3.455 111.026 114.554 -0.122 0.000 3.044 399 T HA 0.182 4.531 4.350 -0.000 0.000 0.260 399 T C 1.463 176.017 174.700 -0.244 0.000 1.019 399 T CA 0.487 62.466 62.100 -0.203 0.000 0.921 399 T CB -0.136 68.624 68.868 -0.179 0.000 1.053 399 T HN 0.116 nan 8.240 nan 0.000 0.533 400 L N 3.233 124.353 121.223 -0.173 0.000 2.021 400 L HA -0.174 4.166 4.340 -0.000 0.000 0.215 400 L C 2.288 179.147 176.870 -0.018 0.000 1.074 400 L CA 2.558 57.366 54.840 -0.052 0.000 0.760 400 L CB -1.095 40.982 42.059 0.030 0.000 0.889 400 L HN 0.690 nan 8.230 nan 0.000 0.433 401 H N -3.127 115.886 119.070 -0.095 0.000 2.566 401 H HA -0.013 4.543 4.556 -0.000 0.000 0.285 401 H C 0.933 175.956 175.328 -0.508 0.000 1.041 401 H CA 1.376 57.232 56.048 -0.321 0.000 1.207 401 H CB -0.710 28.963 29.762 -0.148 0.000 1.353 401 H HN 0.367 nan 8.280 nan 0.000 0.604 402 T N -1.499 112.670 114.554 -0.642 0.000 3.004 402 T HA 0.142 4.492 4.350 -0.000 0.000 0.266 402 T C 0.103 174.704 174.700 -0.164 0.000 0.986 402 T CA 0.239 62.065 62.100 -0.456 0.000 0.902 402 T CB 0.460 69.025 68.868 -0.504 0.000 1.118 402 T HN 0.294 nan 8.240 nan 0.000 0.522 403 S N 2.134 117.816 115.700 -0.031 0.000 2.718 403 S HA 0.312 4.782 4.470 -0.000 0.000 0.294 403 S C 1.354 176.048 174.600 0.156 0.000 1.157 403 S CA -0.413 57.817 58.200 0.051 0.000 1.121 403 S CB 0.772 63.967 63.200 -0.009 0.000 1.015 403 S HN 0.380 nan 8.310 nan 0.000 0.479 404 T N 2.176 116.803 114.554 0.122 0.000 2.962 404 T HA 0.006 4.355 4.350 -0.000 0.000 0.270 404 T C 1.961 176.565 174.700 -0.161 0.000 1.088 404 T CA 0.997 63.059 62.100 -0.064 0.000 1.127 404 T CB -0.325 68.479 68.868 -0.107 0.000 0.883 404 T HN 0.606 nan 8.240 nan 0.000 0.493 405 A N 1.588 124.335 122.820 -0.121 0.000 1.908 405 A HA 0.054 4.373 4.320 -0.000 0.000 0.218 405 A C 2.466 179.938 177.584 -0.187 0.000 1.181 405 A CA 1.792 53.712 52.037 -0.195 0.000 0.627 405 A CB -0.819 18.108 19.000 -0.122 0.000 0.818 405 A HN 0.581 nan 8.150 nan 0.000 0.445 406 M N -0.777 118.799 119.600 -0.040 0.000 2.200 406 M HA -0.038 4.441 4.480 -0.000 0.000 0.265 406 M C 2.326 178.710 176.300 0.141 0.000 1.066 406 M CA 1.289 56.655 55.300 0.110 0.000 1.127 406 M CB -0.264 32.412 32.600 0.127 0.000 1.379 406 M HN 0.451 nan 8.290 nan 0.000 0.420 407 A N 0.617 123.454 122.820 0.028 0.000 1.859 407 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 407 A C 2.290 179.810 177.584 -0.106 0.000 1.198 407 A CA 2.339 54.358 52.037 -0.030 0.000 0.629 407 A CB -1.343 17.525 19.000 -0.220 0.000 0.830 407 A HN 0.629 nan 8.150 nan 0.000 0.446 408 A N -1.067 121.550 122.820 -0.339 0.000 1.858 408 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 408 A C 2.119 179.376 177.584 -0.546 0.000 1.190 408 A CA 1.766 53.412 52.037 -0.652 0.000 0.617 408 A CB -0.678 17.431 19.000 -1.484 0.000 0.827 408 A HN 0.657 nan 8.150 nan 0.000 0.443 409 Q N -1.570 117.877 119.800 -0.588 0.000 2.291 409 Q HA -0.115 4.225 4.340 -0.000 0.000 0.205 409 Q C 1.055 176.838 176.000 -0.362 0.000 0.970 409 Q CA 1.131 56.662 55.803 -0.454 0.000 0.876 409 Q CB -0.024 28.437 28.738 -0.462 0.000 0.935 409 Q HN 0.796 nan 8.270 nan 0.000 0.455 410 H N -2.146 116.946 119.070 0.037 0.000 2.893 410 H HA 0.204 4.760 4.556 -0.000 0.000 0.270 410 H C 0.807 176.169 175.328 0.056 0.000 1.095 410 H CA 0.670 56.753 56.048 0.058 0.000 1.186 410 H CB 1.385 31.182 29.762 0.059 0.000 1.562 410 H HN 0.329 nan 8.280 nan 0.000 0.536 411 G N 2.021 110.930 108.800 0.181 0.000 2.198 411 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.257 411 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.257 411 G C 0.040 175.025 174.900 0.141 0.000 1.042 411 G CA 0.092 45.305 45.100 0.188 0.000 0.791 411 G HN 0.117 nan 8.290 nan 0.000 0.502 412 M N 0.451 120.119 119.600 0.114 0.000 2.053 412 M HA 0.298 4.778 4.480 -0.000 0.000 0.297 412 M C 0.213 176.497 176.300 -0.026 0.000 0.921 412 M CA -0.769 54.598 55.300 0.111 0.000 0.918 412 M CB 1.353 34.080 32.600 0.213 0.000 1.499 412 M HN -0.017 nan 8.290 nan 0.000 0.422 413 D N 1.792 121.992 120.400 -0.333 0.000 2.183 413 D HA -0.060 4.580 4.640 -0.000 0.000 0.203 413 D C 0.343 176.598 176.300 -0.075 0.000 0.969 413 D CA 1.574 55.321 54.000 -0.423 0.000 0.842 413 D CB 0.621 40.916 40.800 -0.842 0.000 0.957 413 D HN 0.701 nan 8.370 nan 0.000 0.484 414 D N -1.171 119.322 120.400 0.155 0.000 2.838 414 D HA -0.068 4.572 4.640 -0.000 0.000 0.334 414 D C 0.180 176.726 176.300 0.411 0.000 1.315 414 D CA -0.463 53.765 54.000 0.381 0.000 0.917 414 D CB 0.303 41.378 40.800 0.459 0.000 1.435 414 D HN -0.206 nan 8.370 nan 0.000 0.517 415 D N -1.002 119.606 120.400 0.346 0.000 2.348 415 D HA 0.143 4.782 4.640 -0.000 0.000 0.216 415 D C 1.527 177.934 176.300 0.178 0.000 0.970 415 D CA 1.118 55.284 54.000 0.277 0.000 0.889 415 D CB -0.498 40.434 40.800 0.220 0.000 0.912 415 D HN 1.076 nan 8.370 nan 0.000 0.524 416 G N -0.054 108.880 108.800 0.224 0.000 2.142 416 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.225 416 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.225 416 G C 0.720 175.694 174.900 0.123 0.000 1.015 416 G CA 0.704 45.813 45.100 0.016 0.000 0.716 416 G HN 0.657 nan 8.290 nan 0.000 0.508 417 T N -2.075 112.619 114.554 0.234 0.000 3.092 417 T HA 0.570 4.920 4.350 -0.000 0.000 0.258 417 T C 1.369 176.176 174.700 0.179 0.000 1.031 417 T CA 0.907 63.105 62.100 0.164 0.000 0.925 417 T CB 1.101 70.035 68.868 0.110 0.000 1.036 417 T HN 1.293 nan 8.240 nan 0.000 0.544 418 G N 0.731 109.692 108.800 0.269 0.000 2.616 418 G HA2 0.427 4.387 3.960 -0.000 0.000 0.268 418 G HA3 0.427 4.387 3.960 -0.000 0.000 0.268 418 G C -0.431 174.441 174.900 -0.046 0.000 1.213 418 G CA -0.810 44.302 45.100 0.019 0.000 0.926 418 G HN 0.478 nan 8.290 nan 0.000 0.523 419 Q N -0.179 119.536 119.800 -0.141 0.000 2.337 419 Q HA 0.318 4.658 4.340 -0.000 0.000 0.270 419 Q C 0.082 176.029 176.000 -0.088 0.000 1.002 419 Q CA 0.597 56.355 55.803 -0.075 0.000 0.888 419 Q CB 0.747 29.445 28.738 -0.066 0.000 1.222 419 Q HN 0.623 nan 8.270 nan 0.000 0.400 420 K N 0.731 121.166 120.400 0.059 0.000 2.536 420 K HA 0.552 4.872 4.320 -0.000 0.000 0.269 420 K C -1.484 175.166 176.600 0.084 0.000 0.965 420 K CA -1.082 55.276 56.287 0.118 0.000 0.860 420 K CB 1.706 34.368 32.500 0.269 0.000 1.423 420 K HN 0.334 nan 8.250 nan 0.000 0.438 421 Q N 1.962 121.734 119.800 -0.046 0.000 2.323 421 Q HA 0.521 4.861 4.340 -0.000 0.000 0.271 421 Q C -1.861 173.826 176.000 -0.521 0.000 1.048 421 Q CA -0.543 55.093 55.803 -0.278 0.000 0.792 421 Q CB 1.832 30.272 28.738 -0.497 0.000 1.280 421 Q HN 0.750 nan 8.270 nan 0.000 0.441 422 I N 3.743 123.966 120.570 -0.579 0.000 2.389 422 I HA 0.514 4.684 4.170 -0.000 0.000 0.288 422 I C -0.658 175.276 176.117 -0.306 0.000 0.999 422 I CA -0.692 60.339 61.300 -0.448 0.000 1.129 422 I CB 1.058 38.673 38.000 -0.642 0.000 1.288 422 I HN 0.437 nan 8.210 nan 0.000 0.444 423 W N 5.264 126.678 121.300 0.190 0.000 2.627 423 W HA 0.545 5.205 4.660 -0.000 0.000 0.339 423 W C -0.007 176.647 176.519 0.226 0.000 1.058 423 W CA -0.786 56.669 57.345 0.185 0.000 1.223 423 W CB 1.924 31.464 29.460 0.133 0.000 1.389 423 W HN 0.359 nan 8.180 nan 0.000 0.541 424 R N 2.080 122.785 120.500 0.343 0.000 2.474 424 R HA 0.440 4.780 4.340 -0.000 0.000 0.295 424 R C -0.556 175.766 176.300 0.037 0.000 0.980 424 R CA -0.681 55.422 56.100 0.005 0.000 0.934 424 R CB 1.046 31.300 30.300 -0.077 0.000 1.101 424 R HN 0.287 nan 8.270 nan 0.000 0.469 425 I N 3.533 124.072 120.570 -0.051 0.000 2.325 425 I HA 0.207 4.377 4.170 -0.000 0.000 0.291 425 I C -0.237 175.862 176.117 -0.031 0.000 1.019 425 I CA 0.028 61.319 61.300 -0.015 0.000 1.302 425 I CB 1.271 39.266 38.000 -0.008 0.000 1.401 425 I HN 0.637 nan 8.210 nan 0.000 0.485 426 E N 4.421 124.613 120.200 -0.013 0.000 2.331 426 E HA 0.503 4.853 4.350 -0.000 0.000 0.243 426 E C 0.622 177.215 176.600 -0.013 0.000 0.925 426 E CA -0.249 56.142 56.400 -0.014 0.000 0.760 426 E CB 1.504 31.201 29.700 -0.005 0.000 1.254 426 E HN 0.877 nan 8.360 nan 0.000 0.419 427 G N 2.793 111.584 108.800 -0.015 0.000 2.609 427 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.288 427 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.288 427 G C 0.599 175.488 174.900 -0.019 0.000 1.211 427 G CA 0.325 45.416 45.100 -0.015 0.000 0.963 427 G HN 0.765 nan 8.290 nan 0.000 0.541 428 S N 0.382 116.069 115.700 -0.022 0.000 2.843 428 S HA 0.561 5.031 4.470 -0.000 0.000 0.249 428 S C -0.044 174.532 174.600 -0.041 0.000 1.047 428 S CA 0.419 58.601 58.200 -0.030 0.000 1.042 428 S CB 0.105 63.288 63.200 -0.028 0.000 0.936 428 S HN 0.765 nan 8.310 nan 0.000 0.531 429 N N 0.886 119.563 118.700 -0.037 0.000 2.265 429 N HA 0.380 5.120 4.740 -0.000 0.000 0.300 429 N C -1.433 174.045 175.510 -0.053 0.000 1.148 429 N CA -0.904 52.116 53.050 -0.051 0.000 0.772 429 N CB 1.396 39.866 38.487 -0.028 0.000 1.434 429 N HN 0.090 nan 8.380 nan 0.000 0.481 430 K N 1.222 121.551 120.400 -0.117 0.000 2.312 430 K HA 0.338 4.658 4.320 -0.000 0.000 0.287 430 K C -1.052 175.587 176.600 0.065 0.000 1.062 430 K CA -0.321 55.883 56.287 -0.137 0.000 0.934 430 K CB 0.978 33.087 32.500 -0.652 0.000 1.027 430 K HN 0.175 nan 8.250 nan 0.000 0.478 431 V N 6.048 126.095 119.914 0.222 0.000 2.409 431 V HA 0.215 4.335 4.120 -0.000 0.000 0.291 431 V C -2.278 174.045 176.094 0.382 0.000 1.020 431 V CA -2.521 59.933 62.300 0.256 0.000 0.848 431 V CB 1.460 33.360 31.823 0.129 0.000 0.990 431 V HN 0.631 nan 8.190 nan 0.000 0.430 432 P HA 0.060 nan 4.420 nan 0.000 0.264 432 P C -0.188 177.211 177.300 0.165 0.000 1.193 432 P CA 0.258 63.487 63.100 0.215 0.000 0.763 432 P CB 0.474 32.269 31.700 0.158 0.000 0.810 433 V N 3.554 123.569 119.914 0.168 0.000 2.775 433 V HA 0.028 4.148 4.120 -0.000 0.000 0.299 433 V C 0.881 177.102 176.094 0.211 0.000 1.062 433 V CA -0.090 62.332 62.300 0.204 0.000 1.063 433 V CB 0.653 32.595 31.823 0.198 0.000 0.994 433 V HN 0.536 nan 8.190 nan 0.000 0.483 434 D N 5.411 125.886 120.400 0.125 0.000 2.389 434 D HA 0.065 4.705 4.640 -0.000 0.000 0.263 434 D C -1.507 174.773 176.300 -0.032 0.000 1.255 434 D CA -1.501 52.522 54.000 0.038 0.000 0.914 434 D CB 1.557 42.369 40.800 0.020 0.000 1.116 434 D HN 0.232 nan 8.370 nan 0.000 0.502 435 P HA -0.197 nan 4.420 nan 0.000 0.217 435 P C 0.949 178.025 177.300 -0.373 0.000 1.148 435 P CA 1.679 64.384 63.100 -0.658 0.000 0.834 435 P CB 0.173 31.589 31.700 -0.472 0.000 0.783 436 A N -0.707 122.010 122.820 -0.172 0.000 1.972 436 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 436 A C 2.013 179.567 177.584 -0.051 0.000 1.169 436 A CA 2.299 54.279 52.037 -0.095 0.000 0.635 436 A CB -1.663 17.301 19.000 -0.061 0.000 0.810 436 A HN 0.367 nan 8.150 nan 0.000 0.446 437 T N -4.878 109.668 114.554 -0.013 0.000 3.145 437 T HA 0.250 4.600 4.350 -0.000 0.000 0.255 437 T C -0.050 174.624 174.700 -0.044 0.000 1.039 437 T CA -0.523 61.570 62.100 -0.013 0.000 0.928 437 T CB -0.504 68.376 68.868 0.020 0.000 1.029 437 T HN 0.166 nan 8.240 nan 0.000 0.554 438 Y N 2.252 122.432 120.300 -0.199 0.000 2.804 438 Y HA 0.387 4.937 4.550 -0.000 0.000 0.338 438 Y C 1.691 177.326 175.900 -0.441 0.000 1.252 438 Y CA 0.783 58.743 58.100 -0.233 0.000 1.576 438 Y CB -0.259 38.194 38.460 -0.012 0.000 1.223 438 Y HN 0.500 nan 8.280 nan 0.000 0.536 439 G N 2.672 110.936 108.800 -0.893 0.000 2.480 439 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.193 439 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.193 439 G C 0.033 174.294 174.900 -1.065 0.000 1.004 439 G CA -0.618 43.591 45.100 -1.485 0.000 0.696 439 G HN 0.481 nan 8.290 nan 0.000 0.478 440 Q N -0.182 119.079 119.800 -0.897 0.000 2.243 440 Q HA 0.702 5.042 4.340 -0.000 0.000 0.252 440 Q C -1.264 174.109 176.000 -1.046 0.000 0.909 440 Q CA -0.283 55.086 55.803 -0.724 0.000 0.922 440 Q CB 1.176 29.751 28.738 -0.271 0.000 1.215 440 Q HN 0.257 nan 8.270 nan 0.000 0.427 441 F N 1.386 120.942 119.950 -0.655 0.000 2.561 441 F HA 0.374 4.901 4.527 -0.000 0.000 0.313 441 F C -0.962 174.676 175.800 -0.270 0.000 1.126 441 F CA -0.770 56.810 58.000 -0.701 0.000 0.918 441 F CB 1.207 39.340 39.000 -1.447 0.000 1.199 441 F HN 0.437 nan 8.300 nan 0.000 0.444 442 Y N 0.424 120.945 120.300 0.368 0.000 2.342 442 Y HA 0.419 4.969 4.550 -0.000 0.000 0.334 442 Y C 1.276 177.510 175.900 0.557 0.000 1.067 442 Y CA -0.588 57.789 58.100 0.460 0.000 1.128 442 Y CB 1.831 40.516 38.460 0.375 0.000 1.200 442 Y HN 0.813 nan 8.280 nan 0.000 0.464 443 G N 1.076 110.224 108.800 0.579 0.000 2.598 443 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.215 443 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.215 443 G C 1.501 176.611 174.900 0.350 0.000 1.131 443 G CA 0.672 46.063 45.100 0.485 0.000 0.785 443 G HN 0.916 nan 8.290 nan 0.000 0.539 444 G N -0.592 108.411 108.800 0.339 0.000 2.813 444 G HA2 0.166 4.126 3.960 -0.000 0.000 0.209 444 G HA3 0.166 4.126 3.960 -0.000 0.000 0.209 444 G C 0.151 175.167 174.900 0.193 0.000 1.150 444 G CA -0.001 45.226 45.100 0.213 0.000 0.785 444 G HN 0.258 nan 8.290 nan 0.000 0.535 445 D N -0.513 120.068 120.400 0.300 0.000 2.442 445 D HA 0.667 5.307 4.640 -0.000 0.000 0.254 445 D C -0.470 175.962 176.300 0.221 0.000 1.069 445 D CA -0.141 53.948 54.000 0.148 0.000 1.017 445 D CB 1.766 42.550 40.800 -0.026 0.000 1.172 445 D HN -0.082 nan 8.370 nan 0.000 0.561 446 S N -0.535 115.169 115.700 0.007 0.000 2.548 446 S HA 0.628 5.098 4.470 -0.000 0.000 0.286 446 S C -1.333 173.285 174.600 0.030 0.000 1.098 446 S CA -0.591 57.719 58.200 0.183 0.000 0.930 446 S CB 1.047 64.318 63.200 0.118 0.000 1.070 446 S HN 0.276 nan 8.310 nan 0.000 0.480 447 Y N 0.560 121.114 120.300 0.423 0.000 2.576 447 Y HA 0.661 5.211 4.550 -0.000 0.000 0.346 447 Y C -0.304 175.816 175.900 0.366 0.000 1.018 447 Y CA -0.993 57.349 58.100 0.402 0.000 1.050 447 Y CB 1.228 39.974 38.460 0.477 0.000 1.280 447 Y HN 0.445 nan 8.280 nan 0.000 0.474 448 I N 3.327 124.234 120.570 0.561 0.000 2.447 448 I HA 0.383 4.553 4.170 -0.000 0.000 0.287 448 I C -1.391 175.066 176.117 0.567 0.000 1.023 448 I CA -0.655 60.952 61.300 0.511 0.000 1.083 448 I CB 1.510 39.782 38.000 0.453 0.000 1.245 448 I HN 0.345 nan 8.210 nan 0.000 0.434 449 I N 7.032 127.878 120.570 0.459 0.000 2.362 449 I HA 0.291 4.461 4.170 -0.000 0.000 0.289 449 I C -0.507 175.845 176.117 0.391 0.000 0.994 449 I CA -0.483 61.028 61.300 0.352 0.000 1.158 449 I CB 1.579 39.760 38.000 0.301 0.000 1.315 449 I HN 0.323 nan 8.210 nan 0.000 0.451 450 L N 8.376 129.795 121.223 0.326 0.000 2.257 450 L HA 0.488 4.828 4.340 -0.000 0.000 0.290 450 L C -1.493 175.550 176.870 0.289 0.000 1.044 450 L CA -0.210 54.825 54.840 0.326 0.000 0.810 450 L CB 0.435 42.720 42.059 0.377 0.000 1.193 450 L HN 0.535 nan 8.230 nan 0.000 0.425 451 Y N 4.727 125.142 120.300 0.191 0.000 2.376 451 Y HA 0.540 5.090 4.550 -0.000 0.000 0.340 451 Y C -0.713 175.298 175.900 0.186 0.000 0.965 451 Y CA -0.772 57.444 58.100 0.194 0.000 1.078 451 Y CB 1.333 39.966 38.460 0.289 0.000 1.193 451 Y HN 0.657 nan 8.280 nan 0.000 0.452 452 N N 5.557 123.872 118.700 -0.642 0.000 2.422 452 N HA 0.176 4.916 4.740 -0.000 0.000 0.266 452 N C -1.393 173.748 175.510 -0.616 0.000 1.007 452 N CA -0.232 52.537 53.050 -0.469 0.000 0.941 452 N CB 0.632 38.929 38.487 -0.316 0.000 1.115 452 N HN 0.639 nan 8.380 nan 0.000 0.492 453 Y N 0.309 120.543 120.300 -0.111 0.000 2.528 453 Y HA 0.740 5.290 4.550 -0.000 0.000 0.335 453 Y C -0.297 175.681 175.900 0.130 0.000 1.093 453 Y CA -1.256 56.944 58.100 0.168 0.000 1.134 453 Y CB 1.325 40.037 38.460 0.419 0.000 1.253 453 Y HN 0.292 nan 8.280 nan 0.000 0.478 454 R N 3.141 123.884 120.500 0.406 0.000 2.538 454 R HA 0.417 4.757 4.340 -0.000 0.000 0.292 454 R C -2.072 174.473 176.300 0.408 0.000 1.008 454 R CA -0.615 55.657 56.100 0.287 0.000 0.896 454 R CB 1.405 31.779 30.300 0.123 0.000 1.187 454 R HN 1.064 nan 8.270 nan 0.000 0.440 455 H N 1.305 120.552 119.070 0.295 0.000 2.856 455 H HA 0.323 4.879 4.556 -0.000 0.000 0.355 455 H C 0.537 175.984 175.328 0.198 0.000 1.079 455 H CA 0.826 57.026 56.048 0.252 0.000 1.240 455 H CB 1.995 31.901 29.762 0.240 0.000 1.701 455 H HN 0.920 nan 8.280 nan 0.000 0.527 456 G N 3.147 111.883 108.800 -0.107 0.000 2.652 456 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.318 456 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.318 456 G C 1.174 176.132 174.900 0.098 0.000 1.295 456 G CA 0.898 46.015 45.100 0.028 0.000 0.999 456 G HN 0.905 nan 8.290 nan 0.000 0.548 457 G N -0.043 108.822 108.800 0.108 0.000 2.434 457 G HA2 0.116 4.076 3.960 -0.000 0.000 0.214 457 G HA3 0.116 4.076 3.960 -0.000 0.000 0.214 457 G C 1.129 176.084 174.900 0.092 0.000 1.202 457 G CA 1.428 46.581 45.100 0.089 0.000 0.788 457 G HN 0.642 nan 8.290 nan 0.000 0.539 458 R N 0.538 121.109 120.500 0.119 0.000 2.549 458 R HA 0.273 4.613 4.340 -0.000 0.000 0.267 458 R C 0.645 177.001 176.300 0.092 0.000 1.045 458 R CA -0.338 55.822 56.100 0.101 0.000 1.115 458 R CB 0.958 31.326 30.300 0.114 0.000 1.121 458 R HN 0.518 nan 8.270 nan 0.000 0.543 459 Q N 0.313 120.115 119.800 0.002 0.000 2.665 459 Q HA 0.689 5.029 4.340 -0.000 0.000 0.176 459 Q C -0.290 175.480 176.000 -0.384 0.000 1.025 459 Q CA -0.869 54.840 55.803 -0.157 0.000 0.953 459 Q CB 1.093 29.741 28.738 -0.150 0.000 2.143 459 Q HN 0.682 nan 8.270 nan 0.000 0.464 460 G N -0.823 107.527 108.800 -0.751 0.000 2.328 460 G HA2 0.326 4.286 3.960 -0.000 0.000 0.295 460 G HA3 0.326 4.286 3.960 -0.000 0.000 0.295 460 G C -1.925 172.590 174.900 -0.641 0.000 1.413 460 G CA -0.779 43.866 45.100 -0.758 0.000 0.817 460 G HN 0.449 nan 8.290 nan 0.000 0.546 461 Q N -0.663 119.045 119.800 -0.152 0.000 2.372 461 Q HA 0.666 5.006 4.340 -0.000 0.000 0.273 461 Q C -0.949 175.187 176.000 0.227 0.000 1.078 461 Q CA -0.729 55.104 55.803 0.050 0.000 0.806 461 Q CB 3.029 31.772 28.738 0.008 0.000 1.332 461 Q HN 0.500 nan 8.270 nan 0.000 0.435 462 I N 2.769 123.512 120.570 0.288 0.000 2.465 462 I HA 0.444 4.614 4.170 -0.000 0.000 0.291 462 I C -0.662 175.499 176.117 0.072 0.000 1.014 462 I CA -0.766 60.613 61.300 0.132 0.000 1.093 462 I CB 1.777 39.819 38.000 0.070 0.000 1.267 462 I HN 0.441 nan 8.210 nan 0.000 0.431 463 I N 6.206 126.761 120.570 -0.025 0.000 2.328 463 I HA 0.263 4.433 4.170 -0.000 0.000 0.287 463 I C -0.956 175.139 176.117 -0.037 0.000 1.012 463 I CA -0.548 60.785 61.300 0.054 0.000 1.195 463 I CB 0.610 38.660 38.000 0.084 0.000 1.350 463 I HN 0.381 nan 8.210 nan 0.000 0.464 464 Y N 5.045 125.456 120.300 0.184 0.000 2.327 464 Y HA 0.204 4.754 4.550 -0.000 0.000 0.336 464 Y C 0.621 176.636 175.900 0.191 0.000 1.035 464 Y CA -0.321 57.873 58.100 0.156 0.000 1.165 464 Y CB 0.838 39.375 38.460 0.128 0.000 1.181 464 Y HN 0.504 nan 8.280 nan 0.000 0.494 465 N N 4.044 122.927 118.700 0.305 0.000 2.558 465 N HA 0.121 4.860 4.740 -0.000 0.000 0.242 465 N C -1.636 174.039 175.510 0.274 0.000 0.979 465 N CA -0.544 52.663 53.050 0.261 0.000 0.931 465 N CB 0.492 39.064 38.487 0.142 0.000 1.122 465 N HN 0.693 nan 8.380 nan 0.000 0.508 466 W N 3.869 125.263 121.300 0.156 0.000 2.335 466 W HA 0.289 4.949 4.660 -0.000 0.000 0.307 466 W C -0.686 175.922 176.519 0.147 0.000 1.117 466 W CA -0.437 56.962 57.345 0.091 0.000 1.228 466 W CB 0.937 30.384 29.460 -0.022 0.000 1.240 466 W HN 0.376 nan 8.180 nan 0.000 0.468 467 Q N 4.850 124.417 119.800 -0.387 0.000 2.394 467 Q HA 0.360 4.700 4.340 -0.000 0.000 0.259 467 Q C 0.489 176.114 176.000 -0.624 0.000 1.021 467 Q CA -0.707 54.914 55.803 -0.304 0.000 0.805 467 Q CB 1.622 30.239 28.738 -0.202 0.000 1.226 467 Q HN 0.674 nan 8.270 nan 0.000 0.476 468 G N 0.989 109.595 108.800 -0.324 0.000 2.491 468 G HA2 0.229 4.189 3.960 -0.000 0.000 0.238 468 G HA3 0.229 4.189 3.960 -0.000 0.000 0.238 468 G C 0.804 175.614 174.900 -0.150 0.000 1.277 468 G CA 0.046 45.016 45.100 -0.216 0.000 0.851 468 G HN 0.750 nan 8.290 nan 0.000 0.573 469 A N 1.177 123.926 122.820 -0.118 0.000 2.121 469 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 469 A C 1.918 179.489 177.584 -0.023 0.000 1.154 469 A CA 1.278 53.265 52.037 -0.084 0.000 0.679 469 A CB -0.008 18.954 19.000 -0.062 0.000 0.795 469 A HN 0.670 nan 8.150 nan 0.000 0.458 470 Q N -0.780 119.038 119.800 0.029 0.000 2.171 470 Q HA 0.205 4.545 4.340 -0.000 0.000 0.218 470 Q C 0.169 176.199 176.000 0.051 0.000 0.822 470 Q CA -0.261 55.568 55.803 0.043 0.000 0.987 470 Q CB 0.633 29.413 28.738 0.070 0.000 1.144 470 Q HN 0.442 nan 8.270 nan 0.000 0.494 471 S N 1.444 117.173 115.700 0.049 0.000 2.572 471 S HA 0.072 4.542 4.470 -0.000 0.000 0.279 471 S C 0.367 174.976 174.600 0.015 0.000 1.341 471 S CA -0.308 57.919 58.200 0.046 0.000 1.043 471 S CB 0.574 63.804 63.200 0.051 0.000 0.887 471 S HN 0.372 nan 8.310 nan 0.000 0.516 472 T N 3.345 117.907 114.554 0.013 0.000 2.919 472 T HA 0.205 4.555 4.350 -0.000 0.000 0.302 472 T C 1.221 175.917 174.700 -0.006 0.000 1.031 472 T CA -0.661 61.440 62.100 0.002 0.000 1.127 472 T CB 0.753 69.622 68.868 0.002 0.000 0.952 472 T HN 0.627 nan 8.240 nan 0.000 0.540 473 Q N 1.656 121.449 119.800 -0.012 0.000 2.152 473 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 473 Q C 2.093 178.083 176.000 -0.016 0.000 0.985 473 Q CA 2.190 57.983 55.803 -0.018 0.000 0.863 473 Q CB -0.497 28.229 28.738 -0.020 0.000 0.904 473 Q HN 0.974 nan 8.270 nan 0.000 0.422 474 D N 0.031 120.423 120.400 -0.013 0.000 2.123 474 D HA -0.204 4.436 4.640 -0.000 0.000 0.196 474 D C 1.347 177.640 176.300 -0.013 0.000 0.992 474 D CA 1.198 55.190 54.000 -0.014 0.000 0.833 474 D CB -0.303 40.489 40.800 -0.012 0.000 0.954 474 D HN 0.388 nan 8.370 nan 0.000 0.455 475 E N 0.312 120.507 120.200 -0.009 0.000 2.122 475 E HA -0.034 4.316 4.350 -0.000 0.000 0.190 475 E C 2.542 179.141 176.600 -0.001 0.000 0.977 475 E CA 0.263 56.659 56.400 -0.006 0.000 0.820 475 E CB 0.211 29.908 29.700 -0.004 0.000 0.770 475 E HN 0.120 nan 8.360 nan 0.000 0.462 476 V N 1.874 121.786 119.914 -0.004 0.000 2.252 476 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 476 V C 2.438 178.526 176.094 -0.010 0.000 1.056 476 V CA 2.144 64.440 62.300 -0.008 0.000 1.022 476 V CB -0.785 31.022 31.823 -0.026 0.000 0.641 476 V HN 0.310 nan 8.190 nan 0.000 0.445 477 A N -0.264 122.547 122.820 -0.016 0.000 1.933 477 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 477 A C 2.416 179.990 177.584 -0.016 0.000 1.175 477 A CA 2.108 54.133 52.037 -0.019 0.000 0.628 477 A CB -0.798 18.189 19.000 -0.022 0.000 0.814 477 A HN 0.603 nan 8.150 nan 0.000 0.444 478 A N 0.297 123.108 122.820 -0.014 0.000 1.902 478 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 478 A C 2.546 180.122 177.584 -0.013 0.000 1.181 478 A CA 2.455 54.481 52.037 -0.017 0.000 0.623 478 A CB -0.982 18.007 19.000 -0.018 0.000 0.818 478 A HN 1.041 nan 8.150 nan 0.000 0.443 479 S N 0.076 115.779 115.700 0.004 0.000 2.383 479 S HA 0.067 4.537 4.470 -0.000 0.000 0.227 479 S C 2.106 176.719 174.600 0.023 0.000 1.026 479 S CA 1.338 59.554 58.200 0.027 0.000 0.981 479 S CB -0.626 62.613 63.200 0.066 0.000 0.818 479 S HN 0.909 nan 8.310 nan 0.000 0.472 480 A N 2.050 124.875 122.820 0.008 0.000 1.883 480 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 480 A C 2.236 179.812 177.584 -0.014 0.000 1.186 480 A CA 1.605 53.641 52.037 -0.002 0.000 0.624 480 A CB -0.872 18.119 19.000 -0.015 0.000 0.822 480 A HN 0.619 nan 8.150 nan 0.000 0.444 481 I N -0.569 119.988 120.570 -0.021 0.000 2.252 481 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 481 I C 2.331 178.424 176.117 -0.039 0.000 1.102 481 I CA 0.942 62.224 61.300 -0.031 0.000 1.385 481 I CB -0.304 37.676 38.000 -0.032 0.000 1.064 481 I HN 0.265 nan 8.210 nan 0.000 0.414 482 L N -0.044 121.153 121.223 -0.042 0.000 2.093 482 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 482 L C 2.637 179.469 176.870 -0.062 0.000 1.085 482 L CA 1.402 56.200 54.840 -0.070 0.000 0.755 482 L CB -0.879 41.127 42.059 -0.088 0.000 0.904 482 L HN 0.235 nan 8.230 nan 0.000 0.435 483 T N 0.006 114.548 114.554 -0.021 0.000 2.635 483 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 483 T C 1.984 176.673 174.700 -0.019 0.000 1.040 483 T CA 1.617 63.719 62.100 0.003 0.000 1.156 483 T CB -0.321 68.565 68.868 0.031 0.000 0.863 483 T HN 0.472 nan 8.240 nan 0.000 0.430 484 A N 1.038 123.841 122.820 -0.028 0.000 1.972 484 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 484 A C 2.274 179.829 177.584 -0.048 0.000 1.169 484 A CA 1.429 53.443 52.037 -0.038 0.000 0.635 484 A CB -0.547 18.430 19.000 -0.038 0.000 0.810 484 A HN 0.561 nan 8.150 nan 0.000 0.446 485 Q N -1.376 118.391 119.800 -0.054 0.000 2.123 485 Q HA -0.068 4.272 4.340 -0.000 0.000 0.199 485 Q C 2.042 178.001 176.000 -0.069 0.000 0.966 485 Q CA 1.160 56.925 55.803 -0.063 0.000 0.845 485 Q CB -0.215 28.480 28.738 -0.072 0.000 0.907 485 Q HN 0.587 nan 8.270 nan 0.000 0.439 486 L N 1.095 122.274 121.223 -0.074 0.000 2.093 486 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 486 L C 1.584 178.431 176.870 -0.039 0.000 1.085 486 L CA 1.942 56.742 54.840 -0.067 0.000 0.755 486 L CB -0.390 41.626 42.059 -0.072 0.000 0.904 486 L HN 0.102 nan 8.230 nan 0.000 0.435 487 D N -0.791 119.586 120.400 -0.038 0.000 2.097 487 D HA -0.226 4.414 4.640 -0.000 0.000 0.195 487 D C 2.036 178.296 176.300 -0.067 0.000 0.989 487 D CA 1.515 55.485 54.000 -0.049 0.000 0.827 487 D CB 0.077 40.846 40.800 -0.052 0.000 0.966 487 D HN 0.460 nan 8.370 nan 0.000 0.456 488 E N -0.135 120.026 120.200 -0.064 0.000 2.070 488 E HA -0.241 4.109 4.350 -0.000 0.000 0.197 488 E C 1.898 178.460 176.600 -0.063 0.000 1.004 488 E CA 1.503 57.864 56.400 -0.066 0.000 0.805 488 E CB -0.127 29.538 29.700 -0.057 0.000 0.744 488 E HN 0.588 nan 8.360 nan 0.000 0.451 489 E N -0.049 120.118 120.200 -0.055 0.000 2.478 489 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 489 E C 1.045 177.620 176.600 -0.042 0.000 1.045 489 E CA 0.214 56.586 56.400 -0.046 0.000 0.868 489 E CB 0.236 29.911 29.700 -0.043 0.000 0.885 489 E HN 0.101 nan 8.360 nan 0.000 0.505 490 L N 0.845 122.039 121.223 -0.048 0.000 2.685 490 L HA 0.341 4.681 4.340 -0.000 0.000 0.233 490 L C 1.107 177.924 176.870 -0.089 0.000 1.173 490 L CA 0.860 55.670 54.840 -0.050 0.000 0.961 490 L CB 0.101 42.141 42.059 -0.032 0.000 1.217 490 L HN 0.400 nan 8.230 nan 0.000 0.478 491 G N -1.162 107.580 108.800 -0.096 0.000 2.130 491 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.216 491 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.216 491 G C 1.073 175.863 174.900 -0.182 0.000 0.999 491 G CA 0.069 45.094 45.100 -0.125 0.000 0.686 491 G HN 0.822 nan 8.290 nan 0.000 0.515 492 G N -1.373 107.330 108.800 -0.161 0.000 2.175 492 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.265 492 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.265 492 G C 1.449 176.190 174.900 -0.266 0.000 0.979 492 G CA 2.196 47.188 45.100 -0.180 0.000 0.663 492 G HN 2.210 nan 8.290 nan 0.000 0.533 493 T N -3.021 111.327 114.554 -0.344 0.000 3.034 493 T HA 0.329 4.679 4.350 -0.000 0.000 0.248 493 T C -1.079 173.482 174.700 -0.231 0.000 1.040 493 T CA 0.410 62.203 62.100 -0.511 0.000 1.107 493 T CB 0.034 68.374 68.868 -0.881 0.000 0.932 493 T HN 0.326 nan 8.240 nan 0.000 0.474 494 P HA 0.278 nan 4.420 nan 0.000 0.268 494 P C -0.188 177.109 177.300 -0.006 0.000 1.208 494 P CA -0.359 62.725 63.100 -0.028 0.000 0.777 494 P CB 0.482 32.179 31.700 -0.006 0.000 0.875 495 V N 2.869 122.814 119.914 0.052 0.000 2.715 495 V HA 0.037 4.157 4.120 -0.000 0.000 0.299 495 V C 0.586 176.660 176.094 -0.033 0.000 1.054 495 V CA 0.421 62.737 62.300 0.028 0.000 1.077 495 V CB 0.035 31.899 31.823 0.067 0.000 0.972 495 V HN 0.484 nan 8.190 nan 0.000 0.484 496 Q N 2.120 121.891 119.800 -0.047 0.000 2.331 496 Q HA 0.524 4.863 4.340 -0.000 0.000 0.267 496 Q C -0.773 175.178 176.000 -0.081 0.000 1.006 496 Q CA -0.160 55.607 55.803 -0.060 0.000 0.818 496 Q CB 2.018 30.733 28.738 -0.038 0.000 1.276 496 Q HN 0.721 nan 8.270 nan 0.000 0.450 497 S N 2.255 117.888 115.700 -0.112 0.000 2.659 497 S HA 0.374 4.844 4.470 -0.000 0.000 0.312 497 S C -1.053 173.564 174.600 0.029 0.000 1.114 497 S CA -0.690 57.464 58.200 -0.078 0.000 1.063 497 S CB 0.660 63.751 63.200 -0.181 0.000 0.996 497 S HN 0.586 nan 8.310 nan 0.000 0.478 498 R N 3.739 124.244 120.500 0.009 0.000 2.265 498 R HA 0.579 4.919 4.340 -0.000 0.000 0.314 498 R C -0.650 175.657 176.300 0.010 0.000 1.053 498 R CA -0.292 55.817 56.100 0.015 0.000 0.931 498 R CB 0.755 31.040 30.300 -0.026 0.000 1.024 498 R HN 0.442 nan 8.270 nan 0.000 0.457 499 V N 4.649 124.573 119.914 0.016 0.000 2.680 499 V HA 0.575 4.695 4.120 -0.000 0.000 0.309 499 V C -1.109 174.823 176.094 -0.271 0.000 1.052 499 V CA -0.625 61.637 62.300 -0.063 0.000 0.908 499 V CB 2.155 34.007 31.823 0.047 0.000 1.001 499 V HN 0.561 nan 8.190 nan 0.000 0.431 500 V N 5.835 125.569 119.914 -0.300 0.000 2.547 500 V HA 0.415 4.535 4.120 -0.000 0.000 0.299 500 V C 0.288 176.075 176.094 -0.511 0.000 1.040 500 V CA -0.497 61.548 62.300 -0.425 0.000 0.913 500 V CB 1.551 33.215 31.823 -0.264 0.000 0.992 500 V HN 1.118 nan 8.190 nan 0.000 0.449 501 Q N 2.674 122.010 119.800 -0.774 0.000 2.398 501 Q HA 0.186 4.526 4.340 -0.000 0.000 0.329 501 Q C 1.126 177.037 176.000 -0.148 0.000 1.079 501 Q CA 1.415 56.902 55.803 -0.527 0.000 1.041 501 Q CB -0.017 28.453 28.738 -0.447 0.000 1.084 501 Q HN 1.279 nan 8.270 nan 0.000 0.386 502 G N 3.685 112.497 108.800 0.020 0.000 2.175 502 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.244 502 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.244 502 G C 0.288 175.175 174.900 -0.022 0.000 0.982 502 G CA 0.211 45.313 45.100 0.005 0.000 0.641 502 G HN 0.547 nan 8.290 nan 0.000 0.527 503 K N 0.887 121.261 120.400 -0.043 0.000 3.239 503 K HA 0.283 4.603 4.320 -0.000 0.000 0.204 503 K C -0.029 176.550 176.600 -0.035 0.000 1.126 503 K CA -0.250 56.005 56.287 -0.053 0.000 0.948 503 K CB 0.530 32.976 32.500 -0.091 0.000 0.818 503 K HN 0.399 nan 8.250 nan 0.000 0.480 504 E N 2.527 122.729 120.200 0.003 0.000 2.415 504 E HA 0.040 4.389 4.350 -0.000 0.000 0.263 504 E C -2.184 174.403 176.600 -0.021 0.000 0.995 504 E CA -1.270 55.132 56.400 0.004 0.000 0.915 504 E CB 0.107 29.803 29.700 -0.007 0.000 0.951 504 E HN 0.178 nan 8.360 nan 0.000 0.449 505 P HA -0.006 nan 4.420 nan 0.000 0.272 505 P C 0.053 177.348 177.300 -0.008 0.000 1.230 505 P CA -0.145 62.961 63.100 0.010 0.000 0.788 505 P CB 1.160 32.902 31.700 0.070 0.000 0.949 506 A N 1.719 124.553 122.820 0.024 0.000 1.892 506 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 506 A C 2.231 179.799 177.584 -0.028 0.000 1.188 506 A CA 2.349 54.386 52.037 -0.001 0.000 0.631 506 A CB -1.974 17.041 19.000 0.025 0.000 0.822 506 A HN 0.762 nan 8.150 nan 0.000 0.447 507 H N -0.827 118.198 119.070 -0.076 0.000 2.387 507 H HA -0.068 4.488 4.556 -0.000 0.000 0.299 507 H C 1.740 176.903 175.328 -0.275 0.000 1.090 507 H CA 1.618 57.596 56.048 -0.117 0.000 1.332 507 H CB -0.209 29.550 29.762 -0.005 0.000 1.386 507 H HN 0.335 nan 8.280 nan 0.000 0.516 508 L N 0.201 121.181 121.223 -0.405 0.000 2.046 508 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 508 L C 2.029 178.604 176.870 -0.492 0.000 1.077 508 L CA 1.853 56.261 54.840 -0.721 0.000 0.747 508 L CB -0.625 40.964 42.059 -0.783 0.000 0.896 508 L HN 0.427 nan 8.230 nan 0.000 0.432 509 M N -1.194 118.245 119.600 -0.267 0.000 2.346 509 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 509 M C 1.310 177.525 176.300 -0.142 0.000 1.064 509 M CA 1.429 56.667 55.300 -0.104 0.000 1.083 509 M CB -0.533 32.021 32.600 -0.076 0.000 1.399 509 M HN 0.239 nan 8.290 nan 0.000 0.435 510 S N 0.559 116.069 115.700 -0.317 0.000 2.685 510 S HA 0.291 4.761 4.470 -0.000 0.000 0.240 510 S C 1.194 175.538 174.600 -0.427 0.000 0.967 510 S CA 0.030 58.060 58.200 -0.283 0.000 1.009 510 S CB -0.173 62.884 63.200 -0.238 0.000 0.776 510 S HN 0.423 nan 8.310 nan 0.000 0.467 511 L N 0.015 120.790 121.223 -0.747 0.000 2.640 511 L HA 0.369 4.709 4.340 -0.000 0.000 0.230 511 L C -0.387 175.977 176.870 -0.843 0.000 1.123 511 L CA 0.408 54.681 54.840 -0.944 0.000 0.900 511 L CB 0.023 41.306 42.059 -1.294 0.000 1.146 511 L HN 0.359 nan 8.230 nan 0.000 0.484 512 F N 0.002 119.916 119.950 -0.060 0.000 2.739 512 F HA 0.473 5.000 4.527 -0.000 0.000 0.345 512 F C 1.427 177.222 175.800 -0.008 0.000 1.373 512 F CA -0.364 57.625 58.000 -0.018 0.000 1.160 512 F CB 0.303 39.279 39.000 -0.040 0.000 1.137 512 F HN 0.085 nan 8.300 nan 0.000 0.524 513 G N 1.289 110.148 108.800 0.098 0.000 2.611 513 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.301 513 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.301 513 G C 1.258 176.196 174.900 0.063 0.000 1.233 513 G CA 0.094 45.239 45.100 0.075 0.000 0.993 513 G HN 0.722 nan 8.290 nan 0.000 0.553 514 G N -0.066 108.767 108.800 0.054 0.000 3.088 514 G HA2 0.437 4.397 3.960 -0.000 0.000 0.217 514 G HA3 0.437 4.397 3.960 -0.000 0.000 0.217 514 G C 0.683 175.606 174.900 0.038 0.000 1.159 514 G CA 1.002 46.126 45.100 0.041 0.000 0.760 514 G HN 0.636 nan 8.290 nan 0.000 0.550 515 K N 1.493 121.925 120.400 0.055 0.000 2.258 515 K HA 0.343 4.663 4.320 -0.000 0.000 0.264 515 K C -2.138 174.477 176.600 0.025 0.000 1.007 515 K CA -1.543 54.758 56.287 0.023 0.000 0.941 515 K CB 0.880 33.387 32.500 0.011 0.000 0.966 515 K HN 0.036 nan 8.250 nan 0.000 0.480 516 P HA 0.091 nan 4.420 nan 0.000 0.279 516 P C -0.820 176.402 177.300 -0.130 0.000 1.252 516 P CA -0.539 62.531 63.100 -0.050 0.000 0.811 516 P CB 0.700 32.351 31.700 -0.082 0.000 1.035 517 M N 2.841 122.382 119.600 -0.098 0.000 2.251 517 M HA 0.227 4.707 4.480 -0.000 0.000 0.346 517 M C -0.780 175.362 176.300 -0.262 0.000 1.499 517 M CA 0.081 55.233 55.300 -0.246 0.000 1.128 517 M CB -0.611 31.957 32.600 -0.054 0.000 1.809 517 M HN 0.183 nan 8.290 nan 0.000 0.464 518 I N 6.709 127.052 120.570 -0.379 0.000 2.359 518 I HA 0.340 4.510 4.170 -0.000 0.000 0.294 518 I C -0.733 175.053 176.117 -0.551 0.000 0.987 518 I CA -0.498 60.536 61.300 -0.443 0.000 1.225 518 I CB 1.356 39.031 38.000 -0.542 0.000 1.366 518 I HN 0.665 nan 8.210 nan 0.000 0.466 519 I N 6.867 127.174 120.570 -0.440 0.000 2.448 519 I HA 0.284 4.454 4.170 -0.000 0.000 0.281 519 I C -0.797 175.164 176.117 -0.260 0.000 1.027 519 I CA -0.357 60.746 61.300 -0.328 0.000 1.111 519 I CB 0.793 38.751 38.000 -0.070 0.000 1.236 519 I HN 0.386 nan 8.210 nan 0.000 0.452 520 Y N 5.110 125.377 120.300 -0.056 0.000 2.299 520 Y HA 0.221 4.771 4.550 -0.000 0.000 0.326 520 Y C 1.550 177.462 175.900 0.020 0.000 1.164 520 Y CA -0.417 57.648 58.100 -0.058 0.000 1.234 520 Y CB 1.133 39.439 38.460 -0.256 0.000 1.219 520 Y HN 0.500 nan 8.280 nan 0.000 0.497 521 K N 1.861 122.344 120.400 0.138 0.000 2.020 521 K HA -0.137 4.183 4.320 -0.000 0.000 0.212 521 K C 0.727 177.423 176.600 0.159 0.000 1.050 521 K CA 1.694 58.034 56.287 0.088 0.000 0.929 521 K CB -0.338 32.165 32.500 0.006 0.000 0.714 521 K HN 1.008 nan 8.250 nan 0.000 0.443 522 G N -0.539 108.376 108.800 0.193 0.000 5.114 522 G HA2 0.282 4.242 3.960 -0.000 0.000 0.209 522 G HA3 0.282 4.242 3.960 -0.000 0.000 0.209 522 G C -0.283 174.758 174.900 0.234 0.000 1.021 522 G CA -0.151 45.079 45.100 0.217 0.000 0.608 522 G HN 0.445 nan 8.290 nan 0.000 0.360 523 G N -0.399 108.619 108.800 0.362 0.000 2.849 523 G HA2 0.737 4.697 3.960 -0.000 0.000 0.174 523 G HA3 0.737 4.697 3.960 -0.000 0.000 0.174 523 G C -0.393 174.641 174.900 0.224 0.000 1.370 523 G CA -0.003 45.268 45.100 0.285 0.000 1.040 523 G HN 0.762 nan 8.290 nan 0.000 0.582 524 T N -1.974 112.547 114.554 -0.054 0.000 3.041 524 T HA 0.401 4.751 4.350 -0.000 0.000 0.321 524 T C 0.741 175.083 174.700 -0.596 0.000 1.184 524 T CA 0.339 62.316 62.100 -0.204 0.000 1.050 524 T CB 1.308 70.133 68.868 -0.072 0.000 1.159 524 T HN 0.871 nan 8.240 nan 0.000 0.469 525 S N 3.247 118.563 115.700 -0.641 0.000 2.650 525 S HA 0.117 4.587 4.470 -0.000 0.000 0.219 525 S C 0.839 175.308 174.600 -0.219 0.000 0.960 525 S CA -0.530 57.348 58.200 -0.537 0.000 0.925 525 S CB -0.464 62.576 63.200 -0.267 0.000 0.775 525 S HN 0.820 nan 8.310 nan 0.000 0.525 526 R N 0.798 121.196 120.500 -0.171 0.000 2.539 526 R HA 0.292 4.632 4.340 -0.000 0.000 0.275 526 R C 0.917 177.172 176.300 -0.076 0.000 1.077 526 R CA -0.256 55.791 56.100 -0.088 0.000 1.097 526 R CB 0.444 30.705 30.300 -0.066 0.000 1.018 526 R HN 0.081 nan 8.270 nan 0.000 0.483 527 E N 2.734 122.907 120.200 -0.045 0.000 2.086 527 E HA -0.191 4.159 4.350 -0.000 0.000 0.200 527 E C 1.575 178.152 176.600 -0.037 0.000 1.012 527 E CA 2.639 59.018 56.400 -0.035 0.000 0.812 527 E CB -0.636 29.053 29.700 -0.018 0.000 0.743 527 E HN 0.950 nan 8.360 nan 0.000 0.453 528 G N -1.207 107.573 108.800 -0.034 0.000 3.903 528 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.260 528 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.260 528 G C 1.117 175.999 174.900 -0.031 0.000 0.882 528 G CA 1.928 47.009 45.100 -0.031 0.000 0.749 528 G HN 0.814 nan 8.290 nan 0.000 1.415 529 G N -2.390 106.387 108.800 -0.039 0.000 4.204 529 G HA2 0.079 4.039 3.960 -0.000 0.000 0.198 529 G HA3 0.079 4.039 3.960 -0.000 0.000 0.198 529 G C 0.429 175.294 174.900 -0.059 0.000 0.964 529 G CA 0.866 45.934 45.100 -0.054 0.000 0.914 529 G HN 0.801 nan 8.290 nan 0.000 0.317 530 Q N 0.981 120.743 119.800 -0.064 0.000 2.394 530 Q HA 0.291 4.631 4.340 -0.000 0.000 0.303 530 Q C 1.433 177.417 176.000 -0.027 0.000 1.117 530 Q CA 1.584 57.355 55.803 -0.053 0.000 0.966 530 Q CB 0.589 29.300 28.738 -0.044 0.000 1.275 530 Q HN 0.553 nan 8.270 nan 0.000 0.429 531 T N -1.542 113.003 114.554 -0.014 0.000 3.051 531 T HA 0.480 4.830 4.350 -0.000 0.000 0.254 531 T C -0.089 174.611 174.700 0.001 0.000 0.916 531 T CA 0.252 62.351 62.100 -0.002 0.000 0.894 531 T CB 0.465 69.339 68.868 0.010 0.000 1.251 531 T HN 1.194 nan 8.240 nan 0.000 0.517 532 A N 2.674 125.494 122.820 -0.000 0.000 2.432 532 A HA 0.259 4.579 4.320 -0.000 0.000 0.685 532 A C -2.264 175.325 177.584 0.008 0.000 0.141 532 A CA -0.569 51.469 52.037 0.001 0.000 0.039 532 A CB -2.059 16.941 19.000 0.001 0.000 3.967 532 A HN 0.528 nan 8.150 nan 0.000 0.547 533 P HA 0.539 nan 4.420 nan 0.000 0.273 533 P C 0.649 177.962 177.300 0.021 0.000 1.250 533 P CA 0.294 63.401 63.100 0.012 0.000 0.793 533 P CB 0.431 32.129 31.700 -0.002 0.000 1.011 534 A N 1.179 124.016 122.820 0.027 0.000 2.567 534 A HA 0.071 4.391 4.320 -0.000 0.000 0.236 534 A C 1.742 179.341 177.584 0.025 0.000 1.088 534 A CA 0.661 52.712 52.037 0.023 0.000 0.776 534 A CB -0.740 18.270 19.000 0.016 0.000 1.033 534 A HN 0.576 nan 8.150 nan 0.000 0.513 535 S N -0.048 115.662 115.700 0.017 0.000 2.344 535 S HA -0.020 4.450 4.470 -0.000 0.000 0.217 535 S C 0.782 175.396 174.600 0.024 0.000 1.033 535 S CA 1.665 59.875 58.200 0.017 0.000 1.017 535 S CB -0.339 62.866 63.200 0.009 0.000 0.941 535 S HN 0.819 nan 8.310 nan 0.000 0.430 536 T N 2.594 117.158 114.554 0.016 0.000 2.841 536 T HA 0.590 4.940 4.350 -0.000 0.000 0.285 536 T C -0.754 173.955 174.700 0.014 0.000 0.991 536 T CA -0.583 61.528 62.100 0.017 0.000 0.966 536 T CB 1.467 70.329 68.868 -0.011 0.000 0.962 536 T HN 0.174 nan 8.240 nan 0.000 0.438 537 R N 2.312 122.847 120.500 0.058 0.000 2.561 537 R HA 0.612 4.952 4.340 -0.000 0.000 0.297 537 R C -1.194 175.159 176.300 0.089 0.000 0.969 537 R CA -0.838 55.297 56.100 0.058 0.000 0.879 537 R CB 2.130 32.545 30.300 0.191 0.000 1.178 537 R HN 0.404 nan 8.270 nan 0.000 0.445 538 L N 3.722 124.916 121.223 -0.049 0.000 2.322 538 L HA 0.565 4.905 4.340 -0.000 0.000 0.281 538 L C -1.361 175.448 176.870 -0.101 0.000 1.014 538 L CA -0.691 54.164 54.840 0.025 0.000 0.815 538 L CB 0.979 43.019 42.059 -0.032 0.000 1.247 538 L HN 0.550 nan 8.230 nan 0.000 0.421 539 F N 2.148 122.148 119.950 0.082 0.000 2.507 539 F HA 0.370 4.897 4.527 -0.000 0.000 0.325 539 F C 0.207 175.922 175.800 -0.141 0.000 1.116 539 F CA -0.534 57.463 58.000 -0.005 0.000 0.930 539 F CB 1.890 40.877 39.000 -0.022 0.000 1.146 539 F HN 0.384 nan 8.300 nan 0.000 0.447 540 Q N 2.647 122.333 119.800 -0.190 0.000 2.303 540 Q HA 0.596 4.936 4.340 -0.000 0.000 0.257 540 Q C -1.667 174.090 176.000 -0.406 0.000 0.941 540 Q CA -0.499 54.855 55.803 -0.748 0.000 0.931 540 Q CB 1.402 29.793 28.738 -0.580 0.000 1.215 540 Q HN 0.571 nan 8.270 nan 0.000 0.437 541 V N 5.310 124.970 119.914 -0.423 0.000 2.294 541 V HA 0.390 4.510 4.120 -0.000 0.000 0.272 541 V C -0.286 175.726 176.094 -0.137 0.000 1.027 541 V CA -0.634 61.557 62.300 -0.183 0.000 0.823 541 V CB 0.761 32.529 31.823 -0.093 0.000 1.030 541 V HN 0.707 nan 8.190 nan 0.000 0.457 542 R N 4.244 124.682 120.500 -0.102 0.000 2.460 542 R HA 0.811 5.151 4.340 -0.000 0.000 0.303 542 R C -0.243 176.039 176.300 -0.029 0.000 0.968 542 R CA 0.046 56.116 56.100 -0.051 0.000 0.889 542 R CB 1.565 31.839 30.300 -0.043 0.000 1.123 542 R HN 0.702 nan 8.270 nan 0.000 0.455 543 A N 3.377 126.192 122.820 -0.009 0.000 2.299 543 A HA 0.537 4.857 4.320 -0.000 0.000 0.332 543 A C -1.030 176.548 177.584 -0.010 0.000 1.131 543 A CA -0.898 51.132 52.037 -0.012 0.000 0.844 543 A CB 0.859 19.858 19.000 -0.002 0.000 1.251 543 A HN 0.960 nan 8.150 nan 0.000 0.486 544 N N -0.871 117.808 118.700 -0.036 0.000 2.457 544 N HA 0.272 5.012 4.740 -0.000 0.000 0.290 544 N C 0.518 175.976 175.510 -0.087 0.000 1.232 544 N CA -0.133 52.888 53.050 -0.049 0.000 0.852 544 N CB 0.602 39.041 38.487 -0.080 0.000 1.313 544 N HN 0.279 nan 8.380 nan 0.000 0.522 545 S N -0.422 115.226 115.700 -0.085 0.000 2.432 545 S HA -0.247 4.223 4.470 -0.000 0.000 0.243 545 S C 1.455 175.854 174.600 -0.335 0.000 1.069 545 S CA 2.010 60.126 58.200 -0.139 0.000 1.047 545 S CB -0.657 62.479 63.200 -0.106 0.000 0.854 545 S HN 0.813 nan 8.310 nan 0.000 0.474 546 A N -0.366 122.119 122.820 -0.559 0.000 2.218 546 A HA 0.515 4.835 4.320 -0.000 0.000 0.209 546 A C 1.789 179.321 177.584 -0.086 0.000 1.168 546 A CA 0.978 52.634 52.037 -0.635 0.000 0.804 546 A CB -0.563 17.942 19.000 -0.826 0.000 0.834 546 A HN 0.987 nan 8.150 nan 0.000 0.482 547 G N -1.677 107.083 108.800 -0.067 0.000 2.199 547 G HA2 0.033 3.993 3.960 -0.000 0.000 0.254 547 G HA3 0.033 3.993 3.960 -0.000 0.000 0.254 547 G C 0.555 175.448 174.900 -0.012 0.000 0.982 547 G CA 0.365 45.463 45.100 -0.003 0.000 0.632 547 G HN 1.590 nan 8.290 nan 0.000 0.529 548 A N 0.226 123.022 122.820 -0.041 0.000 2.386 548 A HA 0.770 5.090 4.320 -0.000 0.000 0.248 548 A C 0.808 178.373 177.584 -0.032 0.000 1.082 548 A CA 1.335 53.353 52.037 -0.032 0.000 0.789 548 A CB 0.443 19.410 19.000 -0.056 0.000 1.025 548 A HN 1.866 nan 8.150 nan 0.000 0.490 549 T N -0.787 113.755 114.554 -0.020 0.000 2.916 549 T HA 0.774 5.123 4.350 -0.000 0.000 0.292 549 T C -0.488 174.192 174.700 -0.033 0.000 1.064 549 T CA -0.945 61.138 62.100 -0.028 0.000 1.011 549 T CB 1.436 70.286 68.868 -0.029 0.000 1.152 549 T HN 1.034 nan 8.240 nan 0.000 0.510 550 R N 0.407 120.878 120.500 -0.048 0.000 2.686 550 R HA 0.772 5.112 4.340 -0.000 0.000 0.283 550 R C -1.481 174.775 176.300 -0.073 0.000 0.978 550 R CA -1.124 54.937 56.100 -0.064 0.000 0.897 550 R CB 1.869 32.133 30.300 -0.060 0.000 1.192 550 R HN 0.818 nan 8.270 nan 0.000 0.457 551 A N 3.220 125.992 122.820 -0.080 0.000 2.258 551 A HA 0.520 4.840 4.320 -0.000 0.000 0.316 551 A C -0.667 176.932 177.584 0.026 0.000 1.279 551 A CA -0.746 51.274 52.037 -0.028 0.000 0.876 551 A CB 1.271 20.245 19.000 -0.043 0.000 1.170 551 A HN 0.463 nan 8.150 nan 0.000 0.520 552 V N 2.899 122.819 119.914 0.010 0.000 2.384 552 V HA 0.280 4.400 4.120 -0.000 0.000 0.287 552 V C 0.357 176.387 176.094 -0.107 0.000 1.020 552 V CA -0.651 61.633 62.300 -0.027 0.000 0.850 552 V CB 1.268 33.064 31.823 -0.045 0.000 0.987 552 V HN 1.008 nan 8.190 nan 0.000 0.436 553 E N 4.009 124.050 120.200 -0.265 0.000 2.376 553 E HA 0.416 4.766 4.350 -0.000 0.000 0.266 553 E C -0.409 176.003 176.600 -0.313 0.000 1.009 553 E CA -0.283 55.713 56.400 -0.673 0.000 0.902 553 E CB 1.195 30.425 29.700 -0.783 0.000 0.972 553 E HN 0.675 nan 8.360 nan 0.000 0.439 554 V N 1.573 121.322 119.914 -0.276 0.000 3.158 554 V HA 0.434 4.554 4.120 -0.000 0.000 0.311 554 V C -0.528 175.492 176.094 -0.123 0.000 1.181 554 V CA -1.380 60.843 62.300 -0.128 0.000 1.054 554 V CB 1.162 32.963 31.823 -0.036 0.000 1.085 554 V HN 0.542 nan 8.190 nan 0.000 0.446 555 L N 3.163 124.341 121.223 -0.076 0.000 2.559 555 L HA 0.301 4.641 4.340 -0.000 0.000 0.274 555 L C -1.909 174.911 176.870 -0.083 0.000 1.205 555 L CA -1.286 53.512 54.840 -0.069 0.000 0.907 555 L CB -0.082 41.948 42.059 -0.048 0.000 1.153 555 L HN 0.642 nan 8.230 nan 0.000 0.490 556 P HA 0.144 nan 4.420 nan 0.000 0.244 556 P C -0.791 176.432 177.300 -0.128 0.000 1.769 556 P CA -0.054 62.975 63.100 -0.119 0.000 1.102 556 P CB 0.030 31.668 31.700 -0.103 0.000 1.937 557 K N 0.609 120.930 120.400 -0.131 0.000 2.469 557 K HA 0.575 4.895 4.320 -0.000 0.000 0.254 557 K C 0.885 177.399 176.600 -0.144 0.000 0.939 557 K CA -0.836 55.386 56.287 -0.108 0.000 0.812 557 K CB 2.216 34.680 32.500 -0.060 0.000 1.301 557 K HN -0.097 nan 8.250 nan 0.000 0.433 558 A N 1.345 124.114 122.820 -0.084 0.000 2.015 558 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 558 A C 1.748 179.320 177.584 -0.021 0.000 1.163 558 A CA 1.845 53.852 52.037 -0.050 0.000 0.646 558 A CB -0.702 18.427 19.000 0.215 0.000 0.806 558 A HN 0.886 nan 8.150 nan 0.000 0.448 559 G N -1.082 107.730 108.800 0.021 0.000 2.708 559 G HA2 0.175 4.135 3.960 -0.000 0.000 0.210 559 G HA3 0.175 4.135 3.960 -0.000 0.000 0.210 559 G C 1.075 175.987 174.900 0.020 0.000 1.141 559 G CA 0.845 45.981 45.100 0.060 0.000 0.788 559 G HN 0.766 nan 8.290 nan 0.000 0.531 560 A N -0.312 122.465 122.820 -0.072 0.000 2.345 560 A HA 0.613 4.933 4.320 -0.000 0.000 0.225 560 A C 0.816 178.298 177.584 -0.170 0.000 1.243 560 A CA -0.350 51.653 52.037 -0.058 0.000 0.875 560 A CB 0.068 19.044 19.000 -0.039 0.000 0.929 560 A HN 0.285 nan 8.150 nan 0.000 0.502 561 L N 0.175 121.128 121.223 -0.450 0.000 2.439 561 L HA 0.379 4.719 4.340 -0.000 0.000 0.259 561 L C 0.153 176.796 176.870 -0.379 0.000 1.129 561 L CA -0.584 53.639 54.840 -1.028 0.000 0.803 561 L CB 0.692 41.720 42.059 -1.718 0.000 1.161 561 L HN 0.279 nan 8.230 nan 0.000 0.462 562 N N -0.810 117.763 118.700 -0.212 0.000 2.455 562 N HA 0.128 4.868 4.740 -0.000 0.000 0.285 562 N C -0.201 175.607 175.510 0.495 0.000 1.080 562 N CA -0.238 53.003 53.050 0.317 0.000 0.932 562 N CB 2.075 40.819 38.487 0.430 0.000 1.610 562 N HN 0.450 nan 8.380 nan 0.000 0.493 563 S N 2.075 118.073 115.700 0.497 0.000 2.469 563 S HA -0.061 4.409 4.470 -0.000 0.000 0.238 563 S C 1.181 175.976 174.600 0.325 0.000 0.998 563 S CA 1.031 59.506 58.200 0.458 0.000 0.957 563 S CB -0.088 63.325 63.200 0.355 0.000 0.764 563 S HN 0.610 nan 8.310 nan 0.000 0.514 564 N N 0.739 119.619 118.700 0.300 0.000 2.424 564 N HA 0.061 4.800 4.740 -0.000 0.000 0.178 564 N C -0.256 175.376 175.510 0.202 0.000 1.060 564 N CA 0.577 53.754 53.050 0.211 0.000 0.901 564 N CB 0.347 38.939 38.487 0.176 0.000 0.979 564 N HN 0.342 nan 8.380 nan 0.000 0.451 565 D N -0.466 120.113 120.400 0.299 0.000 2.450 565 D HA 0.459 5.099 4.640 -0.000 0.000 0.238 565 D C -0.499 176.007 176.300 0.343 0.000 1.020 565 D CA -0.656 53.474 54.000 0.217 0.000 1.010 565 D CB 1.563 42.398 40.800 0.059 0.000 1.342 565 D HN -0.031 nan 8.370 nan 0.000 0.530 566 A N 0.241 123.174 122.820 0.188 0.000 2.293 566 A HA 0.664 4.984 4.320 -0.000 0.000 0.302 566 A C -1.123 176.594 177.584 0.222 0.000 1.119 566 A CA -0.285 51.926 52.037 0.291 0.000 0.823 566 A CB 0.315 19.401 19.000 0.144 0.000 1.097 566 A HN 0.391 nan 8.150 nan 0.000 0.491 567 F N -0.004 120.142 119.950 0.327 0.000 2.576 567 F HA 0.544 5.071 4.527 -0.000 0.000 0.313 567 F C -0.204 175.736 175.800 0.234 0.000 1.078 567 F CA -0.587 57.546 58.000 0.221 0.000 0.921 567 F CB 2.556 41.606 39.000 0.084 0.000 1.232 567 F HN 0.283 nan 8.300 nan 0.000 0.459 568 V N 4.081 124.213 119.914 0.363 0.000 2.409 568 V HA 0.447 4.567 4.120 -0.000 0.000 0.291 568 V C -1.123 175.174 176.094 0.339 0.000 1.020 568 V CA -0.671 61.807 62.300 0.298 0.000 0.848 568 V CB 1.720 33.623 31.823 0.134 0.000 0.990 568 V HN 0.512 nan 8.190 nan 0.000 0.430 569 L N 5.599 127.004 121.223 0.304 0.000 2.305 569 L HA 0.637 4.977 4.340 -0.000 0.000 0.284 569 L C -0.351 176.658 176.870 0.231 0.000 1.013 569 L CA -0.219 54.752 54.840 0.217 0.000 0.819 569 L CB 1.335 43.434 42.059 0.067 0.000 1.227 569 L HN 0.669 nan 8.230 nan 0.000 0.417 570 K N 3.088 123.603 120.400 0.191 0.000 2.307 570 K HA 0.625 4.945 4.320 -0.000 0.000 0.263 570 K C -0.965 175.702 176.600 0.111 0.000 0.973 570 K CA -0.355 56.022 56.287 0.149 0.000 0.846 570 K CB 1.386 33.971 32.500 0.143 0.000 1.100 570 K HN 0.699 nan 8.250 nan 0.000 0.438 571 T N 3.526 118.143 114.554 0.104 0.000 2.907 571 T HA 0.423 4.773 4.350 -0.000 0.000 0.292 571 T C -1.885 172.850 174.700 0.058 0.000 1.043 571 T CA -2.383 59.764 62.100 0.079 0.000 1.003 571 T CB 1.207 70.138 68.868 0.106 0.000 1.084 571 T HN 0.452 nan 8.240 nan 0.000 0.483 572 P HA -0.164 nan 4.420 nan 0.000 0.216 572 P C 1.627 178.944 177.300 0.029 0.000 1.157 572 P CA 1.274 64.392 63.100 0.030 0.000 0.880 572 P CB -0.093 31.622 31.700 0.025 0.000 0.791 573 S N -0.544 115.180 115.700 0.040 0.000 2.426 573 S HA -0.037 4.433 4.470 -0.000 0.000 0.220 573 S C 1.092 175.702 174.600 0.016 0.000 1.040 573 S CA 1.673 59.896 58.200 0.039 0.000 1.094 573 S CB -0.737 62.504 63.200 0.068 0.000 1.072 573 S HN 0.337 nan 8.310 nan 0.000 0.415 574 A N -0.530 122.299 122.820 0.014 0.000 2.701 574 A HA 0.870 5.190 4.320 -0.000 0.000 0.290 574 A C -1.169 176.371 177.584 -0.073 0.000 1.267 574 A CA -0.176 51.815 52.037 -0.076 0.000 0.709 574 A CB 0.680 19.561 19.000 -0.198 0.000 1.352 574 A HN 1.269 nan 8.150 nan 0.000 0.519 575 A N -0.757 121.945 122.820 -0.196 0.000 2.381 575 A HA 0.689 5.009 4.320 -0.000 0.000 0.299 575 A C -1.848 175.623 177.584 -0.188 0.000 1.049 575 A CA -0.276 51.709 52.037 -0.085 0.000 0.715 575 A CB 0.537 19.520 19.000 -0.028 0.000 1.222 575 A HN 0.748 nan 8.150 nan 0.000 0.428 576 Y N 1.560 121.936 120.300 0.126 0.000 2.360 576 Y HA 0.564 5.114 4.550 -0.000 0.000 0.337 576 Y C 0.002 176.020 175.900 0.197 0.000 1.039 576 Y CA -0.976 57.235 58.100 0.185 0.000 1.109 576 Y CB 2.058 40.726 38.460 0.347 0.000 1.201 576 Y HN 0.539 nan 8.280 nan 0.000 0.458 577 L N 4.547 125.947 121.223 0.295 0.000 2.335 577 L HA 0.379 4.719 4.340 -0.000 0.000 0.268 577 L C -1.441 175.594 176.870 0.274 0.000 1.037 577 L CA -1.155 53.836 54.840 0.251 0.000 0.895 577 L CB -0.090 42.046 42.059 0.129 0.000 1.266 577 L HN 0.724 nan 8.230 nan 0.000 0.439 578 W N 5.630 127.013 121.300 0.138 0.000 2.345 578 W HA 0.513 5.173 4.660 -0.000 0.000 0.308 578 W C -0.706 175.853 176.519 0.067 0.000 1.273 578 W CA -0.619 56.736 57.345 0.016 0.000 1.243 578 W CB 1.221 30.673 29.460 -0.014 0.000 1.260 578 W HN 0.438 nan 8.180 nan 0.000 0.509 579 V N 9.158 128.902 119.914 -0.284 0.000 2.334 579 V HA 0.668 4.788 4.120 -0.000 0.000 0.281 579 V C 0.479 176.210 176.094 -0.606 0.000 1.016 579 V CA -0.439 61.713 62.300 -0.246 0.000 0.832 579 V CB 0.283 32.031 31.823 -0.125 0.000 0.999 579 V HN 0.707 nan 8.190 nan 0.000 0.439 580 G N 4.140 112.669 108.800 -0.451 0.000 2.544 580 G HA2 0.272 4.232 3.960 -0.000 0.000 0.242 580 G HA3 0.272 4.232 3.960 -0.000 0.000 0.242 580 G C 1.080 175.881 174.900 -0.165 0.000 1.247 580 G CA 0.342 45.202 45.100 -0.400 0.000 0.840 580 G HN 1.236 nan 8.290 nan 0.000 0.578 581 T N -0.630 113.857 114.554 -0.112 0.000 2.897 581 T HA -0.085 4.265 4.350 -0.000 0.000 0.271 581 T C 2.240 176.947 174.700 0.011 0.000 1.084 581 T CA 1.491 63.564 62.100 -0.044 0.000 1.123 581 T CB -0.138 68.725 68.868 -0.009 0.000 0.865 581 T HN 0.603 nan 8.240 nan 0.000 0.496 582 G N 1.208 110.042 108.800 0.057 0.000 2.551 582 G HA2 0.420 4.380 3.960 -0.000 0.000 0.216 582 G HA3 0.420 4.380 3.960 -0.000 0.000 0.216 582 G C 0.684 175.625 174.900 0.067 0.000 1.137 582 G CA 0.066 45.211 45.100 0.076 0.000 0.798 582 G HN 0.855 nan 8.290 nan 0.000 0.536 583 A N 0.803 123.661 122.820 0.062 0.000 2.488 583 A HA 0.546 4.866 4.320 -0.000 0.000 0.249 583 A C 0.938 178.541 177.584 0.031 0.000 1.083 583 A CA 0.440 52.512 52.037 0.058 0.000 0.768 583 A CB 0.266 19.306 19.000 0.067 0.000 1.017 583 A HN 0.738 nan 8.150 nan 0.000 0.496 584 S N 1.086 116.806 115.700 0.033 0.000 2.718 584 S HA 0.384 4.854 4.470 -0.000 0.000 0.292 584 S C 1.022 175.633 174.600 0.018 0.000 1.125 584 S CA 0.372 58.587 58.200 0.024 0.000 1.013 584 S CB 0.764 63.982 63.200 0.030 0.000 1.192 584 S HN 0.742 nan 8.310 nan 0.000 0.535 585 E N 0.853 121.063 120.200 0.015 0.000 2.058 585 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 585 E C 2.079 178.686 176.600 0.013 0.000 0.997 585 E CA 2.094 58.501 56.400 0.012 0.000 0.801 585 E CB -1.044 28.663 29.700 0.012 0.000 0.746 585 E HN 0.750 nan 8.360 nan 0.000 0.450 586 A N 0.344 123.174 122.820 0.016 0.000 1.917 586 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 586 A C 2.101 179.690 177.584 0.008 0.000 1.182 586 A CA 2.046 54.091 52.037 0.013 0.000 0.633 586 A CB -0.710 18.300 19.000 0.016 0.000 0.819 586 A HN 0.379 nan 8.150 nan 0.000 0.448 587 E N -0.360 119.847 120.200 0.013 0.000 2.106 587 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 587 E C 2.104 178.714 176.600 0.016 0.000 0.984 587 E CA 1.178 57.586 56.400 0.013 0.000 0.806 587 E CB -0.074 29.642 29.700 0.028 0.000 0.750 587 E HN 0.558 nan 8.360 nan 0.000 0.458 588 K N -0.107 120.304 120.400 0.018 0.000 1.991 588 K HA -0.177 4.143 4.320 -0.000 0.000 0.212 588 K C 2.492 179.096 176.600 0.007 0.000 1.049 588 K CA 1.803 58.099 56.287 0.016 0.000 0.932 588 K CB -0.475 32.030 32.500 0.008 0.000 0.717 588 K HN 0.166 nan 8.250 nan 0.000 0.441 589 T N -0.463 114.093 114.554 0.003 0.000 2.867 589 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 589 T C 1.930 176.624 174.700 -0.010 0.000 1.057 589 T CA 1.612 63.711 62.100 -0.003 0.000 1.136 589 T CB -0.351 68.517 68.868 -0.000 0.000 0.874 589 T HN 0.361 nan 8.240 nan 0.000 0.466 590 G N 0.474 109.267 108.800 -0.011 0.000 2.418 590 G HA2 0.046 4.006 3.960 -0.000 0.000 0.217 590 G HA3 0.046 4.006 3.960 -0.000 0.000 0.217 590 G C 1.955 176.832 174.900 -0.038 0.000 1.158 590 G CA 0.855 45.940 45.100 -0.025 0.000 0.771 590 G HN 0.696 nan 8.290 nan 0.000 0.545 591 A N 1.114 123.919 122.820 -0.023 0.000 1.933 591 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 591 A C 2.382 179.946 177.584 -0.034 0.000 1.175 591 A CA 2.006 54.029 52.037 -0.023 0.000 0.628 591 A CB -0.426 18.587 19.000 0.022 0.000 0.814 591 A HN 0.596 nan 8.150 nan 0.000 0.444 592 Q N -0.950 118.836 119.800 -0.023 0.000 2.245 592 Q HA -0.087 4.252 4.340 -0.000 0.000 0.201 592 Q C 1.619 177.593 176.000 -0.043 0.000 0.955 592 Q CA 1.395 57.182 55.803 -0.027 0.000 0.870 592 Q CB -0.312 28.417 28.738 -0.015 0.000 0.945 592 Q HN 0.583 nan 8.270 nan 0.000 0.461 593 E N 1.110 121.283 120.200 -0.046 0.000 2.204 593 E HA -0.151 4.198 4.350 -0.000 0.000 0.195 593 E C 1.796 178.346 176.600 -0.083 0.000 0.990 593 E CA 0.881 57.248 56.400 -0.055 0.000 0.821 593 E CB -0.036 29.636 29.700 -0.047 0.000 0.750 593 E HN 0.435 nan 8.360 nan 0.000 0.477 594 L N -0.479 120.678 121.223 -0.110 0.000 2.179 594 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 594 L C 1.675 178.447 176.870 -0.164 0.000 1.096 594 L CA 1.050 55.788 54.840 -0.170 0.000 0.779 594 L CB -0.202 41.714 42.059 -0.239 0.000 0.922 594 L HN 0.160 nan 8.230 nan 0.000 0.443 595 L N 0.270 121.423 121.223 -0.117 0.000 2.083 595 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 595 L C 2.767 179.594 176.870 -0.072 0.000 1.083 595 L CA 1.658 56.444 54.840 -0.089 0.000 0.752 595 L CB -1.392 40.636 42.059 -0.052 0.000 0.899 595 L HN 0.469 nan 8.230 nan 0.000 0.433 596 R N -0.648 119.814 120.500 -0.064 0.000 2.081 596 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 596 R C 2.188 178.456 176.300 -0.054 0.000 1.131 596 R CA 1.563 57.632 56.100 -0.051 0.000 0.960 596 R CB -0.056 30.218 30.300 -0.044 0.000 0.856 596 R HN 0.199 nan 8.270 nan 0.000 0.436 597 V N 1.487 121.359 119.914 -0.069 0.000 2.295 597 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 597 V C 2.257 178.319 176.094 -0.053 0.000 1.049 597 V CA 1.566 63.831 62.300 -0.058 0.000 1.024 597 V CB -0.323 31.460 31.823 -0.067 0.000 0.648 597 V HN 0.359 nan 8.190 nan 0.000 0.447 598 L N -0.553 120.623 121.223 -0.079 0.000 2.549 598 L HA 0.022 4.362 4.340 -0.000 0.000 0.229 598 L C 1.098 177.941 176.870 -0.045 0.000 1.158 598 L CA 0.411 55.210 54.840 -0.069 0.000 0.842 598 L CB -0.552 41.446 42.059 -0.102 0.000 0.952 598 L HN 0.372 nan 8.230 nan 0.000 0.452 599 R N -0.580 119.894 120.500 -0.043 0.000 3.333 599 R HA -0.169 4.171 4.340 -0.000 0.000 0.256 599 R C -0.070 176.211 176.300 -0.031 0.000 1.010 599 R CA 0.366 56.447 56.100 -0.033 0.000 0.680 599 R CB -2.003 28.281 30.300 -0.026 0.000 1.102 599 R HN 0.391 nan 8.270 nan 0.000 0.440 600 A N 0.473 123.271 122.820 -0.036 0.000 2.350 600 A HA 0.654 4.974 4.320 -0.000 0.000 0.318 600 A C -0.692 176.871 177.584 -0.035 0.000 1.132 600 A CA -0.618 51.400 52.037 -0.032 0.000 0.811 600 A CB 1.665 20.648 19.000 -0.028 0.000 1.313 600 A HN 0.152 nan 8.150 nan 0.000 0.454 601 Q N 1.363 121.140 119.800 -0.039 0.000 2.347 601 Q HA 0.517 4.857 4.340 -0.000 0.000 0.262 601 Q C -2.511 173.457 176.000 -0.052 0.000 0.980 601 Q CA -2.026 53.752 55.803 -0.041 0.000 0.867 601 Q CB 1.239 29.953 28.738 -0.040 0.000 1.242 601 Q HN 0.549 nan 8.270 nan 0.000 0.453 602 P HA 0.104 nan 4.420 nan 0.000 0.275 602 P C -0.988 176.281 177.300 -0.052 0.000 1.228 602 P CA -0.257 62.823 63.100 -0.033 0.000 0.786 602 P CB 1.000 32.695 31.700 -0.009 0.000 0.927 603 V N 3.131 123.005 119.914 -0.066 0.000 2.305 603 V HA 0.172 4.292 4.120 -0.000 0.000 0.275 603 V C 0.502 176.605 176.094 0.014 0.000 1.020 603 V CA -0.620 61.639 62.300 -0.068 0.000 0.811 603 V CB 0.619 32.326 31.823 -0.193 0.000 1.031 603 V HN 0.573 nan 8.190 nan 0.000 0.439 604 Q N 3.131 122.938 119.800 0.011 0.000 2.286 604 Q HA 0.315 4.655 4.340 -0.000 0.000 0.290 604 Q C -0.655 175.348 176.000 0.006 0.000 1.049 604 Q CA 0.547 56.359 55.803 0.015 0.000 0.923 604 Q CB 1.226 29.959 28.738 -0.008 0.000 1.183 604 Q HN 0.692 nan 8.270 nan 0.000 0.383 605 V N 3.914 123.815 119.914 -0.022 0.000 2.610 605 V HA 0.764 4.884 4.120 -0.000 0.000 0.298 605 V C -0.917 175.009 176.094 -0.280 0.000 1.067 605 V CA -0.119 62.119 62.300 -0.103 0.000 0.894 605 V CB 1.285 33.070 31.823 -0.064 0.000 1.015 605 V HN 0.979 nan 8.190 nan 0.000 0.432 606 A N 4.792 127.454 122.820 -0.264 0.000 2.407 606 A HA 0.510 4.830 4.320 -0.000 0.000 0.248 606 A C 0.326 177.612 177.584 -0.496 0.000 1.082 606 A CA -0.006 51.818 52.037 -0.355 0.000 0.785 606 A CB 0.384 19.262 19.000 -0.203 0.000 1.020 606 A HN 1.097 nan 8.150 nan 0.000 0.489 607 E N 0.494 120.301 120.200 -0.655 0.000 2.398 607 E HA 0.372 4.721 4.350 -0.000 0.000 0.263 607 E C 1.240 177.768 176.600 -0.120 0.000 1.046 607 E CA 0.742 56.809 56.400 -0.555 0.000 0.908 607 E CB 0.187 29.530 29.700 -0.593 0.000 0.963 607 E HN 1.412 nan 8.360 nan 0.000 0.431 608 G N 2.962 111.831 108.800 0.115 0.000 2.383 608 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.229 608 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.229 608 G C 0.177 175.163 174.900 0.144 0.000 1.089 608 G CA 0.367 45.560 45.100 0.157 0.000 0.640 608 G HN 1.029 nan 8.290 nan 0.000 0.510 609 S N 1.092 116.830 115.700 0.064 0.000 2.269 609 S HA 0.695 5.165 4.470 -0.000 0.000 0.194 609 S C -0.735 173.885 174.600 0.034 0.000 1.547 609 S CA -0.374 57.865 58.200 0.065 0.000 1.186 609 S CB 1.536 64.749 63.200 0.023 0.000 1.069 609 S HN 0.483 nan 8.310 nan 0.000 0.473 610 E N 2.039 122.306 120.200 0.111 0.000 2.195 610 E HA 0.585 4.935 4.350 -0.000 0.000 0.271 610 E C -2.792 173.866 176.600 0.096 0.000 0.923 610 E CA -2.215 54.164 56.400 -0.034 0.000 0.790 610 E CB 0.506 29.990 29.700 -0.359 0.000 1.155 610 E HN 0.272 nan 8.360 nan 0.000 0.402 611 P HA -0.050 nan 4.420 nan 0.000 0.265 611 P C -0.087 177.339 177.300 0.210 0.000 1.187 611 P CA 0.160 63.354 63.100 0.156 0.000 0.766 611 P CB 0.523 32.352 31.700 0.216 0.000 0.820 612 D N 1.815 122.373 120.400 0.264 0.000 2.363 612 D HA -0.058 4.582 4.640 -0.000 0.000 0.220 612 D C 1.767 178.209 176.300 0.236 0.000 0.994 612 D CA 0.646 54.850 54.000 0.341 0.000 0.890 612 D CB -0.511 40.448 40.800 0.265 0.000 0.906 612 D HN 0.521 nan 8.370 nan 0.000 0.530 613 G N 0.645 109.558 108.800 0.188 0.000 2.443 613 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.219 613 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.219 613 G C 1.241 176.152 174.900 0.019 0.000 1.131 613 G CA 0.024 45.220 45.100 0.161 0.000 0.775 613 G HN 0.263 nan 8.290 nan 0.000 0.547 614 F N 0.148 119.876 119.950 -0.369 0.000 2.098 614 F HA 0.066 4.593 4.527 -0.000 0.000 0.294 614 F C 2.306 177.817 175.800 -0.482 0.000 1.107 614 F CA 1.128 58.637 58.000 -0.818 0.000 1.234 614 F CB -0.219 38.150 39.000 -1.051 0.000 1.002 614 F HN 0.196 nan 8.300 nan 0.000 0.472 615 W N 0.921 122.274 121.300 0.089 0.000 2.374 615 W HA -0.093 4.566 4.660 -0.000 0.000 0.288 615 W C 2.313 178.779 176.519 -0.090 0.000 1.218 615 W CA 1.157 58.510 57.345 0.013 0.000 1.245 615 W CB -0.375 29.151 29.460 0.110 0.000 1.126 615 W HN 0.066 nan 8.180 nan 0.000 0.545 616 E N -0.022 120.259 120.200 0.135 0.000 2.158 616 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 616 E C 2.307 178.890 176.600 -0.029 0.000 0.982 616 E CA 0.974 57.410 56.400 0.060 0.000 0.823 616 E CB -0.303 29.441 29.700 0.073 0.000 0.766 616 E HN 0.190 nan 8.360 nan 0.000 0.468 617 A N 0.542 123.291 122.820 -0.118 0.000 2.070 617 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 617 A C 1.864 179.321 177.584 -0.211 0.000 1.159 617 A CA 0.911 52.850 52.037 -0.164 0.000 0.656 617 A CB -0.255 18.611 19.000 -0.225 0.000 0.800 617 A HN 0.178 nan 8.150 nan 0.000 0.453 618 L N -1.196 119.868 121.223 -0.264 0.000 2.607 618 L HA 0.256 4.596 4.340 -0.000 0.000 0.228 618 L C 1.284 178.100 176.870 -0.090 0.000 1.123 618 L CA 0.372 55.074 54.840 -0.229 0.000 0.890 618 L CB -0.080 41.777 42.059 -0.337 0.000 1.103 618 L HN 0.518 nan 8.230 nan 0.000 0.468 619 G N 0.577 109.349 108.800 -0.046 0.000 2.326 619 G HA2 0.030 3.990 3.960 -0.000 0.000 0.286 619 G HA3 0.030 3.990 3.960 -0.000 0.000 0.286 619 G C 0.515 175.427 174.900 0.020 0.000 1.096 619 G CA 0.151 45.244 45.100 -0.011 0.000 1.003 619 G HN 0.807 nan 8.290 nan 0.000 0.503 620 G N -0.994 107.842 108.800 0.061 0.000 2.655 620 G HA2 0.273 4.233 3.960 -0.000 0.000 0.680 620 G HA3 0.273 4.233 3.960 -0.000 0.000 0.680 620 G C -0.352 174.623 174.900 0.126 0.000 1.302 620 G CA 0.232 45.374 45.100 0.070 0.000 0.872 620 G HN 1.382 nan 8.290 nan 0.000 0.540 621 K N 0.081 120.483 120.400 0.002 0.000 2.425 621 K HA 0.734 5.054 4.320 -0.000 0.000 0.259 621 K C 0.324 176.878 176.600 -0.077 0.000 0.978 621 K CA 0.041 56.267 56.287 -0.103 0.000 0.883 621 K CB 0.874 32.988 32.500 -0.645 0.000 1.110 621 K HN 1.377 nan 8.250 nan 0.000 0.436 622 A N 2.776 125.612 122.820 0.027 0.000 2.312 622 A HA 0.844 5.163 4.320 -0.000 0.000 0.310 622 A C -0.854 176.764 177.584 0.056 0.000 1.139 622 A CA -0.768 51.279 52.037 0.017 0.000 0.886 622 A CB 1.107 20.124 19.000 0.028 0.000 1.350 622 A HN 0.789 nan 8.150 nan 0.000 0.479 623 A N -0.712 122.114 122.820 0.010 0.000 2.354 623 A HA 0.652 4.972 4.320 -0.000 0.000 0.269 623 A C -0.311 177.306 177.584 0.054 0.000 1.109 623 A CA -0.074 51.935 52.037 -0.047 0.000 0.800 623 A CB -0.269 18.681 19.000 -0.084 0.000 1.045 623 A HN 1.535 nan 8.150 nan 0.000 0.489 624 Y N -0.129 120.189 120.300 0.030 0.000 2.857 624 Y HA 0.839 5.389 4.550 -0.000 0.000 0.318 624 Y C -0.073 175.858 175.900 0.051 0.000 1.313 624 Y CA -1.632 56.485 58.100 0.028 0.000 1.117 624 Y CB 0.566 39.027 38.460 0.002 0.000 1.344 624 Y HN 0.524 nan 8.280 nan 0.000 0.525 625 R N 0.309 121.020 120.500 0.351 0.000 2.265 625 R HA 0.439 4.779 4.340 -0.000 0.000 0.314 625 R C -0.318 176.152 176.300 0.283 0.000 1.053 625 R CA 0.482 56.720 56.100 0.231 0.000 0.931 625 R CB 0.630 31.051 30.300 0.202 0.000 1.024 625 R HN 0.938 nan 8.270 nan 0.000 0.457 626 T N 0.824 115.465 114.554 0.146 0.000 3.026 626 T HA 0.053 4.403 4.350 -0.000 0.000 0.245 626 T C 0.046 174.822 174.700 0.128 0.000 1.004 626 T CA 0.410 62.598 62.100 0.148 0.000 1.069 626 T CB 0.071 68.969 68.868 0.050 0.000 1.005 626 T HN 0.677 nan 8.240 nan 0.000 0.472 627 S N 4.079 119.836 115.700 0.095 0.000 2.546 627 S HA 0.205 4.675 4.470 -0.000 0.000 0.290 627 S C -2.293 172.370 174.600 0.106 0.000 1.290 627 S CA -1.100 57.151 58.200 0.084 0.000 1.069 627 S CB -0.191 63.047 63.200 0.064 0.000 0.846 627 S HN 0.230 nan 8.310 nan 0.000 0.495 628 P HA 0.202 nan 4.420 nan 0.000 0.273 628 P C -0.332 177.033 177.300 0.109 0.000 1.250 628 P CA -0.524 62.639 63.100 0.105 0.000 0.793 628 P CB 0.597 32.349 31.700 0.088 0.000 1.011 629 R N 0.236 120.804 120.500 0.113 0.000 2.500 629 R HA 0.256 4.596 4.340 -0.000 0.000 0.277 629 R C 1.576 177.942 176.300 0.110 0.000 1.026 629 R CA -0.798 55.374 56.100 0.120 0.000 1.058 629 R CB 0.424 30.798 30.300 0.123 0.000 1.078 629 R HN 0.330 nan 8.270 nan 0.000 0.509 630 L N 2.200 123.494 121.223 0.119 0.000 2.079 630 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 630 L C 1.336 178.265 176.870 0.098 0.000 1.081 630 L CA 1.762 56.664 54.840 0.103 0.000 0.752 630 L CB -0.585 41.538 42.059 0.107 0.000 0.896 630 L HN 0.753 nan 8.230 nan 0.000 0.433 631 K N -1.068 119.400 120.400 0.113 0.000 3.860 631 K HA -0.372 3.948 4.320 -0.000 0.000 0.215 631 K C 1.392 178.057 176.600 0.108 0.000 0.729 631 K CA 2.086 58.441 56.287 0.113 0.000 0.634 631 K CB -1.364 31.198 32.500 0.104 0.000 0.774 631 K HN 0.179 nan 8.250 nan 0.000 0.793 632 D N 0.760 121.219 120.400 0.097 0.000 2.219 632 D HA -0.050 4.590 4.640 -0.000 0.000 0.205 632 D C 1.282 177.619 176.300 0.061 0.000 0.970 632 D CA 1.118 55.168 54.000 0.084 0.000 0.851 632 D CB 0.020 40.869 40.800 0.081 0.000 0.943 632 D HN 0.297 nan 8.370 nan 0.000 0.488 633 K N 0.465 120.900 120.400 0.058 0.000 2.444 633 K HA 0.045 4.365 4.320 -0.000 0.000 0.193 633 K C 1.697 178.315 176.600 0.029 0.000 1.024 633 K CA -0.115 56.193 56.287 0.035 0.000 1.077 633 K CB 0.497 33.015 32.500 0.030 0.000 0.833 633 K HN -0.003 nan 8.250 nan 0.000 0.517 634 K N 1.461 121.903 120.400 0.070 0.000 2.063 634 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 634 K C 2.083 178.733 176.600 0.082 0.000 1.048 634 K CA 1.273 57.625 56.287 0.107 0.000 0.928 634 K CB 0.021 32.626 32.500 0.175 0.000 0.713 634 K HN 0.108 nan 8.250 nan 0.000 0.442 635 M N 0.775 120.428 119.600 0.087 0.000 2.159 635 M HA -0.216 4.264 4.480 -0.000 0.000 0.263 635 M C 0.784 177.085 176.300 0.002 0.000 1.063 635 M CA 2.041 57.393 55.300 0.087 0.000 1.110 635 M CB -0.022 32.654 32.600 0.128 0.000 1.374 635 M HN 0.110 nan 8.290 nan 0.000 0.411 636 D N 0.365 120.749 120.400 -0.027 0.000 2.117 636 D HA -0.076 4.564 4.640 -0.000 0.000 0.198 636 D C 1.952 178.175 176.300 -0.129 0.000 0.982 636 D CA 1.675 55.637 54.000 -0.064 0.000 0.828 636 D CB -0.107 40.665 40.800 -0.046 0.000 0.967 636 D HN 0.493 nan 8.370 nan 0.000 0.464 637 A N -0.259 122.426 122.820 -0.224 0.000 1.968 637 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 637 A C 0.251 177.354 177.584 -0.802 0.000 1.169 637 A CA 1.099 52.830 52.037 -0.510 0.000 0.638 637 A CB -0.300 18.321 19.000 -0.632 0.000 0.812 637 A HN 0.348 nan 8.150 nan 0.000 0.446 638 H N -0.737 118.188 119.070 -0.241 0.000 2.488 638 H HA 0.291 4.847 4.556 -0.000 0.000 0.237 638 H C -2.863 172.410 175.328 -0.091 0.000 1.395 638 H CA -1.833 54.051 56.048 -0.273 0.000 1.491 638 H CB 0.656 30.073 29.762 -0.576 0.000 1.567 638 H HN 0.246 nan 8.280 nan 0.000 0.508 639 P HA 0.054 nan 4.420 nan 0.000 0.269 639 P C -2.570 174.737 177.300 0.011 0.000 1.209 639 P CA -1.402 61.683 63.100 -0.026 0.000 0.776 639 P CB 0.580 32.232 31.700 -0.080 0.000 0.876 640 P HA 0.193 nan 4.420 nan 0.000 0.268 640 P C -0.183 177.077 177.300 -0.066 0.000 1.204 640 P CA 0.429 63.359 63.100 -0.283 0.000 0.768 640 P CB 0.523 31.706 31.700 -0.862 0.000 0.842 641 R N 2.038 122.517 120.500 -0.035 0.000 2.621 641 R HA 0.570 4.910 4.340 -0.000 0.000 0.292 641 R C -1.120 175.089 176.300 -0.152 0.000 0.969 641 R CA -1.154 54.879 56.100 -0.112 0.000 0.887 641 R CB 1.822 32.148 30.300 0.043 0.000 1.180 641 R HN 0.325 nan 8.270 nan 0.000 0.450 642 L N 3.504 124.513 121.223 -0.356 0.000 2.296 642 L HA 0.552 4.892 4.340 -0.000 0.000 0.286 642 L C -1.548 175.082 176.870 -0.401 0.000 1.023 642 L CA -0.160 54.548 54.840 -0.220 0.000 0.812 642 L CB 0.736 42.700 42.059 -0.159 0.000 1.223 642 L HN 0.437 nan 8.230 nan 0.000 0.421 643 F N 3.470 123.421 119.950 0.002 0.000 2.546 643 F HA 0.815 5.342 4.527 -0.000 0.000 0.320 643 F C 0.375 176.198 175.800 0.039 0.000 1.076 643 F CA -0.605 57.406 58.000 0.020 0.000 0.928 643 F CB 1.854 40.864 39.000 0.016 0.000 1.189 643 F HN 0.593 nan 8.300 nan 0.000 0.465 644 A N 1.095 124.049 122.820 0.224 0.000 2.312 644 A HA 0.806 5.126 4.320 -0.000 0.000 0.328 644 A C -0.637 177.027 177.584 0.132 0.000 1.158 644 A CA -0.524 51.610 52.037 0.162 0.000 0.821 644 A CB 0.551 19.616 19.000 0.108 0.000 1.170 644 A HN 1.087 nan 8.150 nan 0.000 0.490 645 C N -0.231 119.130 119.300 0.102 0.000 3.080 645 C HA 0.974 5.434 4.460 -0.000 0.000 0.307 645 C C -0.301 174.709 174.990 0.034 0.000 1.311 645 C CA -0.583 58.435 59.018 0.000 0.000 1.533 645 C CB 1.125 28.901 27.740 0.061 0.000 1.970 645 C HN 1.175 nan 8.230 nan 0.000 0.467 646 S N -0.405 115.268 115.700 -0.046 0.000 2.543 646 S HA 0.475 4.945 4.470 -0.000 0.000 0.274 646 S C -0.408 174.258 174.600 0.110 0.000 1.149 646 S CA -0.509 57.719 58.200 0.047 0.000 0.866 646 S CB 1.427 64.634 63.200 0.011 0.000 1.111 646 S HN 0.922 nan 8.310 nan 0.000 0.457 647 N N 0.458 119.256 118.700 0.162 0.000 2.273 647 N HA 0.086 4.826 4.740 -0.000 0.000 0.192 647 N C -0.322 175.257 175.510 0.115 0.000 1.132 647 N CA -0.229 52.938 53.050 0.195 0.000 0.887 647 N CB 0.263 38.861 38.487 0.184 0.000 1.048 647 N HN 0.362 nan 8.380 nan 0.000 0.490 648 K N 1.669 122.117 120.400 0.081 0.000 2.543 648 K HA -0.113 4.207 4.320 -0.000 0.000 0.279 648 K C 0.648 177.282 176.600 0.058 0.000 1.001 648 K CA 0.782 57.106 56.287 0.060 0.000 1.088 648 K CB -0.139 32.391 32.500 0.050 0.000 0.863 648 K HN 0.217 nan 8.250 nan 0.000 0.488 649 I N 2.498 123.098 120.570 0.051 0.000 5.460 649 I HA -0.289 3.881 4.170 -0.000 0.000 0.135 649 I C 0.772 176.920 176.117 0.051 0.000 1.813 649 I CA 0.604 61.932 61.300 0.047 0.000 2.037 649 I CB -1.560 36.467 38.000 0.044 0.000 3.345 649 I HN 0.985 nan 8.210 nan 0.000 0.169 650 G N 1.619 110.454 108.800 0.059 0.000 2.225 650 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.267 650 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.267 650 G C 0.105 175.052 174.900 0.077 0.000 1.024 650 G CA 0.814 45.951 45.100 0.061 0.000 0.784 650 G HN 0.599 nan 8.290 nan 0.000 0.507 651 R N -1.022 119.536 120.500 0.096 0.000 2.513 651 R HA 0.622 4.962 4.340 -0.000 0.000 0.301 651 R C -0.862 175.539 176.300 0.169 0.000 0.968 651 R CA -1.078 55.089 56.100 0.111 0.000 0.872 651 R CB 0.658 31.001 30.300 0.073 0.000 1.177 651 R HN 0.129 nan 8.270 nan 0.000 0.444 652 F N 5.410 125.378 119.950 0.029 0.000 2.424 652 F HA 0.438 4.965 4.527 -0.000 0.000 0.356 652 F C -0.966 174.861 175.800 0.045 0.000 1.110 652 F CA -0.276 57.745 58.000 0.036 0.000 1.161 652 F CB 1.074 40.092 39.000 0.029 0.000 1.115 652 F HN 0.189 nan 8.300 nan 0.000 0.507 653 V N 8.483 128.096 119.914 -0.501 0.000 2.656 653 V HA 0.673 4.793 4.120 -0.000 0.000 0.307 653 V C -0.748 175.043 176.094 -0.504 0.000 1.051 653 V CA -0.713 61.365 62.300 -0.370 0.000 0.893 653 V CB 1.940 33.686 31.823 -0.129 0.000 0.999 653 V HN 0.685 nan 8.190 nan 0.000 0.426 654 I N 2.476 122.872 120.570 -0.289 0.000 2.785 654 I HA 0.769 4.939 4.170 -0.000 0.000 0.302 654 I C -0.840 175.328 176.117 0.085 0.000 1.069 654 I CA -0.512 60.719 61.300 -0.115 0.000 1.045 654 I CB 2.176 40.131 38.000 -0.074 0.000 1.236 654 I HN 0.705 nan 8.210 nan 0.000 0.429 655 E N 3.906 124.218 120.200 0.187 0.000 2.265 655 E HA 0.218 4.568 4.350 -0.000 0.000 0.262 655 E C -1.200 175.525 176.600 0.207 0.000 0.889 655 E CA -0.584 55.925 56.400 0.182 0.000 0.789 655 E CB 1.680 31.436 29.700 0.094 0.000 1.221 655 E HN 0.779 nan 8.360 nan 0.000 0.414 656 E N 3.055 123.348 120.200 0.155 0.000 2.376 656 E HA 0.074 4.424 4.350 -0.000 0.000 0.266 656 E C -0.647 175.843 176.600 -0.183 0.000 1.009 656 E CA -0.245 56.007 56.400 -0.246 0.000 0.902 656 E CB 1.165 30.706 29.700 -0.265 0.000 0.972 656 E HN 0.319 nan 8.360 nan 0.000 0.439 657 V N 5.822 125.582 119.914 -0.256 0.000 2.364 657 V HA 0.439 4.559 4.120 -0.000 0.000 0.272 657 V C -2.483 173.487 176.094 -0.207 0.000 1.036 657 V CA -1.849 60.358 62.300 -0.154 0.000 0.880 657 V CB 1.026 32.800 31.823 -0.083 0.000 0.991 657 V HN 0.612 nan 8.190 nan 0.000 0.460 658 P HA 0.649 nan 4.420 nan 0.000 0.276 658 P C 0.458 177.654 177.300 -0.173 0.000 1.244 658 P CA 1.242 64.235 63.100 -0.178 0.000 0.801 658 P CB 1.008 32.640 31.700 -0.113 0.000 1.006 659 G N 0.832 109.516 108.800 -0.194 0.000 2.632 659 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.224 659 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.224 659 G C -0.912 173.942 174.900 -0.077 0.000 1.341 659 G CA -0.695 44.340 45.100 -0.107 0.000 0.880 659 G HN 0.561 nan 8.290 nan 0.000 0.566 660 E N -0.049 120.141 120.200 -0.016 0.000 2.360 660 E HA 0.356 4.706 4.350 -0.000 0.000 0.269 660 E C 0.142 176.713 176.600 -0.048 0.000 1.022 660 E CA -0.696 55.706 56.400 0.004 0.000 0.887 660 E CB 0.557 30.259 29.700 0.004 0.000 0.990 660 E HN 0.338 nan 8.360 nan 0.000 0.426 661 L N 3.972 125.136 121.223 -0.098 0.000 2.534 661 L HA 0.080 4.420 4.340 -0.000 0.000 0.271 661 L C 0.042 176.909 176.870 -0.005 0.000 1.178 661 L CA 1.387 56.110 54.840 -0.196 0.000 0.907 661 L CB -0.480 41.213 42.059 -0.611 0.000 1.164 661 L HN 0.529 nan 8.230 nan 0.000 0.482 662 M N 2.298 121.980 119.600 0.137 0.000 2.395 662 M HA 0.235 4.715 4.480 -0.000 0.000 0.307 662 M C 0.977 177.369 176.300 0.155 0.000 1.091 662 M CA -0.514 54.878 55.300 0.155 0.000 0.919 662 M CB 2.354 34.961 32.600 0.010 0.000 1.662 662 M HN 0.631 nan 8.290 nan 0.000 0.440 663 Q N 1.446 121.197 119.800 -0.082 0.000 2.112 663 Q HA -0.245 4.095 4.340 -0.000 0.000 0.206 663 Q C 0.823 176.508 176.000 -0.525 0.000 0.987 663 Q CA 2.367 57.824 55.803 -0.577 0.000 0.858 663 Q CB 0.252 28.265 28.738 -1.209 0.000 0.905 663 Q HN 0.713 nan 8.270 nan 0.000 0.420 664 E N 0.992 120.931 120.200 -0.435 0.000 2.208 664 E HA -0.214 4.135 4.350 -0.000 0.000 0.202 664 E C 1.377 178.047 176.600 0.118 0.000 1.014 664 E CA 1.623 57.960 56.400 -0.104 0.000 0.819 664 E CB -0.226 29.450 29.700 -0.041 0.000 0.735 664 E HN 0.474 nan 8.360 nan 0.000 0.469 665 D N -0.563 119.874 120.400 0.063 0.000 2.371 665 D HA -0.054 4.586 4.640 -0.000 0.000 0.221 665 D C -0.291 176.031 176.300 0.037 0.000 0.986 665 D CA 0.319 54.397 54.000 0.130 0.000 0.899 665 D CB 0.124 40.975 40.800 0.084 0.000 0.902 665 D HN 0.077 nan 8.370 nan 0.000 0.530 666 L N 1.342 122.519 121.223 -0.077 0.000 2.288 666 L HA 0.314 4.653 4.340 -0.000 0.000 0.283 666 L C 0.152 176.958 176.870 -0.106 0.000 1.072 666 L CA -1.095 53.540 54.840 -0.341 0.000 0.862 666 L CB 0.292 41.867 42.059 -0.806 0.000 1.245 666 L HN -0.201 nan 8.230 nan 0.000 0.432 667 A N 1.916 124.619 122.820 -0.195 0.000 2.354 667 A HA 0.415 4.735 4.320 -0.000 0.000 0.281 667 A C 1.448 179.106 177.584 0.122 0.000 1.174 667 A CA 0.177 52.014 52.037 -0.333 0.000 0.828 667 A CB 0.095 18.514 19.000 -0.968 0.000 1.099 667 A HN 0.843 nan 8.150 nan 0.000 0.516 668 T N -0.261 114.396 114.554 0.173 0.000 2.897 668 T HA -0.179 4.171 4.350 -0.000 0.000 0.271 668 T C 0.682 175.392 174.700 0.017 0.000 1.084 668 T CA 1.635 63.801 62.100 0.110 0.000 1.123 668 T CB -0.360 68.515 68.868 0.011 0.000 0.865 668 T HN 0.717 nan 8.240 nan 0.000 0.496 669 D N 0.039 120.448 120.400 0.015 0.000 2.358 669 D HA 0.170 4.810 4.640 -0.000 0.000 0.224 669 D C -0.253 176.059 176.300 0.020 0.000 1.123 669 D CA -0.410 53.592 54.000 0.003 0.000 0.833 669 D CB -0.076 40.731 40.800 0.013 0.000 0.946 669 D HN 0.263 nan 8.370 nan 0.000 0.505 670 D N -0.207 120.233 120.400 0.068 0.000 2.419 670 D HA 0.337 4.977 4.640 -0.000 0.000 0.234 670 D C -0.657 175.743 176.300 0.167 0.000 1.014 670 D CA -0.745 53.320 54.000 0.109 0.000 0.919 670 D CB 3.072 43.932 40.800 0.101 0.000 1.366 670 D HN -0.224 nan 8.370 nan 0.000 0.490 671 V N 3.102 123.107 119.914 0.152 0.000 2.347 671 V HA 0.337 4.456 4.120 -0.000 0.000 0.280 671 V C 0.222 176.470 176.094 0.257 0.000 1.021 671 V CA -0.525 61.887 62.300 0.185 0.000 0.847 671 V CB 1.046 32.939 31.823 0.116 0.000 0.990 671 V HN 0.405 nan 8.190 nan 0.000 0.444 672 M N 5.838 125.670 119.600 0.387 0.000 2.598 672 M HA 0.643 5.123 4.480 -0.000 0.000 0.317 672 M C -0.817 175.673 176.300 0.317 0.000 1.201 672 M CA -0.610 54.893 55.300 0.339 0.000 0.971 672 M CB 1.842 34.651 32.600 0.348 0.000 1.657 672 M HN 0.323 nan 8.290 nan 0.000 0.470 673 L N 2.258 123.634 121.223 0.255 0.000 2.349 673 L HA 0.553 4.893 4.340 -0.000 0.000 0.278 673 L C -0.789 176.226 176.870 0.241 0.000 0.996 673 L CA -0.269 54.684 54.840 0.189 0.000 0.825 673 L CB 1.993 44.011 42.059 -0.069 0.000 1.243 673 L HN 0.507 nan 8.230 nan 0.000 0.412 674 L N 3.363 124.790 121.223 0.341 0.000 2.262 674 L HA 0.405 4.745 4.340 -0.000 0.000 0.288 674 L C -0.917 176.107 176.870 0.257 0.000 1.035 674 L CA -0.281 54.731 54.840 0.288 0.000 0.820 674 L CB 1.287 43.580 42.059 0.391 0.000 1.204 674 L HN 0.598 nan 8.230 nan 0.000 0.424 675 D N 3.514 124.007 120.400 0.154 0.000 2.412 675 D HA 0.234 4.874 4.640 -0.000 0.000 0.224 675 D C 0.285 176.658 176.300 0.122 0.000 1.093 675 D CA -0.106 53.994 54.000 0.167 0.000 0.850 675 D CB 1.214 42.181 40.800 0.278 0.000 1.046 675 D HN 0.423 nan 8.370 nan 0.000 0.507 676 T N 2.675 117.299 114.554 0.117 0.000 2.889 676 T HA 0.004 4.354 4.350 -0.000 0.000 0.340 676 T C 1.038 175.885 174.700 0.246 0.000 1.145 676 T CA -0.472 61.683 62.100 0.090 0.000 0.986 676 T CB 0.597 69.578 68.868 0.187 0.000 1.461 676 T HN 0.551 nan 8.240 nan 0.000 0.541 677 W N 0.014 121.325 121.300 0.019 0.000 2.699 677 W HA 0.014 4.674 4.660 -0.000 0.000 0.265 677 W C 0.937 177.437 176.519 -0.032 0.000 1.210 677 W CA 0.219 57.539 57.345 -0.041 0.000 1.414 677 W CB 0.235 29.621 29.460 -0.123 0.000 1.043 677 W HN 0.588 nan 8.180 nan 0.000 0.599 678 D N 0.309 120.764 120.400 0.092 0.000 2.277 678 D HA -0.064 4.576 4.640 -0.000 0.000 0.208 678 D C 0.493 176.753 176.300 -0.066 0.000 0.962 678 D CA 1.155 55.151 54.000 -0.006 0.000 0.865 678 D CB 0.511 41.370 40.800 0.098 0.000 0.939 678 D HN 0.225 nan 8.370 nan 0.000 0.510 679 Q N -0.236 119.536 119.800 -0.047 0.000 2.435 679 Q HA 0.388 4.728 4.340 -0.000 0.000 0.282 679 Q C -1.951 173.996 176.000 -0.088 0.000 1.020 679 Q CA -0.578 55.154 55.803 -0.118 0.000 0.820 679 Q CB 2.916 31.540 28.738 -0.190 0.000 1.436 679 Q HN -0.221 nan 8.270 nan 0.000 0.395 680 V N 3.250 123.090 119.914 -0.123 0.000 2.350 680 V HA 0.418 4.538 4.120 -0.000 0.000 0.285 680 V C -0.840 175.214 176.094 -0.068 0.000 1.014 680 V CA -0.473 61.804 62.300 -0.037 0.000 0.831 680 V CB 0.680 32.497 31.823 -0.009 0.000 1.000 680 V HN 0.607 nan 8.190 nan 0.000 0.433 681 F N 3.897 123.930 119.950 0.138 0.000 2.456 681 F HA 0.429 4.955 4.527 -0.000 0.000 0.358 681 F C 0.389 176.279 175.800 0.151 0.000 1.095 681 F CA -0.016 58.093 58.000 0.181 0.000 1.216 681 F CB 1.512 40.749 39.000 0.395 0.000 1.125 681 F HN 0.329 nan 8.300 nan 0.000 0.549 682 V N 5.473 125.547 119.914 0.268 0.000 2.384 682 V HA 0.412 4.532 4.120 -0.000 0.000 0.287 682 V C -1.558 174.663 176.094 0.212 0.000 1.020 682 V CA -0.810 61.621 62.300 0.220 0.000 0.850 682 V CB 0.949 32.841 31.823 0.115 0.000 0.987 682 V HN 0.774 nan 8.190 nan 0.000 0.436 683 W N 6.595 127.927 121.300 0.053 0.000 2.349 683 W HA 0.636 5.296 4.660 -0.000 0.000 0.309 683 W C -0.746 175.770 176.519 -0.006 0.000 1.083 683 W CA -0.803 56.519 57.345 -0.039 0.000 1.224 683 W CB 1.732 31.208 29.460 0.027 0.000 1.256 683 W HN 0.626 nan 8.180 nan 0.000 0.461 684 V N 8.646 128.248 119.914 -0.521 0.000 2.347 684 V HA 0.721 4.841 4.120 -0.000 0.000 0.280 684 V C 0.448 175.951 176.094 -0.985 0.000 1.021 684 V CA -0.376 61.616 62.300 -0.514 0.000 0.847 684 V CB 0.348 32.007 31.823 -0.273 0.000 0.990 684 V HN 0.711 nan 8.190 nan 0.000 0.444 685 G N 4.545 112.823 108.800 -0.870 0.000 2.491 685 G HA2 0.150 4.110 3.960 -0.000 0.000 0.242 685 G HA3 0.150 4.110 3.960 -0.000 0.000 0.242 685 G C 0.521 175.150 174.900 -0.451 0.000 1.266 685 G CA -0.235 44.388 45.100 -0.794 0.000 0.844 685 G HN 0.909 nan 8.290 nan 0.000 0.571 686 K N 0.158 120.320 120.400 -0.397 0.000 2.209 686 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 686 K C 0.530 177.040 176.600 -0.151 0.000 1.048 686 K CA 1.260 57.402 56.287 -0.242 0.000 0.940 686 K CB 0.149 32.528 32.500 -0.201 0.000 0.729 686 K HN 0.516 nan 8.250 nan 0.000 0.451 687 D N 0.731 121.056 120.400 -0.126 0.000 2.388 687 D HA 0.015 4.655 4.640 -0.000 0.000 0.221 687 D C 0.213 176.484 176.300 -0.048 0.000 1.133 687 D CA 0.034 53.995 54.000 -0.066 0.000 0.831 687 D CB 0.537 41.316 40.800 -0.035 0.000 0.962 687 D HN 0.144 nan 8.370 nan 0.000 0.502 688 S N -0.125 115.534 115.700 -0.067 0.000 2.655 688 S HA 0.294 4.764 4.470 -0.000 0.000 0.265 688 S C 0.476 175.058 174.600 -0.030 0.000 1.240 688 S CA -0.797 57.380 58.200 -0.037 0.000 0.986 688 S CB 1.366 64.541 63.200 -0.041 0.000 0.985 688 S HN 0.008 nan 8.310 nan 0.000 0.562 689 Q N 0.094 119.887 119.800 -0.010 0.000 2.312 689 Q HA 0.228 4.568 4.340 -0.000 0.000 0.236 689 Q C 0.792 176.784 176.000 -0.013 0.000 0.965 689 Q CA -0.533 55.266 55.803 -0.006 0.000 0.894 689 Q CB 0.474 29.217 28.738 0.009 0.000 1.225 689 Q HN 0.820 nan 8.270 nan 0.000 0.478 690 E N 1.641 121.833 120.200 -0.014 0.000 2.058 690 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 690 E C 1.174 177.766 176.600 -0.013 0.000 0.997 690 E CA 2.097 58.486 56.400 -0.019 0.000 0.801 690 E CB 0.183 29.873 29.700 -0.017 0.000 0.746 690 E HN 0.640 nan 8.360 nan 0.000 0.450 691 E N 0.567 120.766 120.200 -0.002 0.000 2.110 691 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 691 E C 2.004 178.610 176.600 0.009 0.000 0.988 691 E CA 1.269 57.671 56.400 0.003 0.000 0.804 691 E CB -0.207 29.500 29.700 0.012 0.000 0.745 691 E HN 0.260 nan 8.360 nan 0.000 0.458 692 E N 1.305 121.515 120.200 0.016 0.000 2.051 692 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 692 E C 1.915 178.520 176.600 0.007 0.000 0.991 692 E CA 1.066 57.483 56.400 0.028 0.000 0.799 692 E CB -0.183 29.537 29.700 0.034 0.000 0.748 692 E HN 0.308 nan 8.360 nan 0.000 0.449 693 K N 0.124 120.514 120.400 -0.017 0.000 2.097 693 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 693 K C 2.259 178.837 176.600 -0.036 0.000 1.049 693 K CA 1.797 58.060 56.287 -0.040 0.000 0.933 693 K CB -0.238 32.226 32.500 -0.059 0.000 0.717 693 K HN 0.238 nan 8.250 nan 0.000 0.442 694 T N -1.034 113.503 114.554 -0.028 0.000 3.067 694 T HA 0.030 4.380 4.350 -0.000 0.000 0.261 694 T C 1.409 176.094 174.700 -0.025 0.000 1.110 694 T CA 0.482 62.565 62.100 -0.029 0.000 1.113 694 T CB 0.153 69.005 68.868 -0.027 0.000 0.917 694 T HN 0.006 nan 8.240 nan 0.000 0.499 695 E N 1.051 121.242 120.200 -0.015 0.000 2.489 695 E HA 0.345 4.695 4.350 -0.000 0.000 0.193 695 E C 2.280 178.870 176.600 -0.016 0.000 1.057 695 E CA 0.520 56.909 56.400 -0.018 0.000 0.866 695 E CB -0.236 29.462 29.700 -0.003 0.000 0.916 695 E HN 0.662 nan 8.360 nan 0.000 0.500 696 A N 1.779 124.593 122.820 -0.009 0.000 1.882 696 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 696 A C 2.260 179.838 177.584 -0.009 0.000 1.253 696 A CA 1.644 53.681 52.037 0.000 0.000 0.664 696 A CB -0.984 18.006 19.000 -0.016 0.000 0.838 696 A HN 0.296 nan 8.150 nan 0.000 0.460 697 L N -1.149 120.057 121.223 -0.028 0.000 1.971 697 L HA -0.227 4.113 4.340 -0.000 0.000 0.215 697 L C 2.891 179.725 176.870 -0.061 0.000 1.072 697 L CA 2.218 57.035 54.840 -0.039 0.000 0.758 697 L CB -0.852 41.180 42.059 -0.044 0.000 0.889 697 L HN 0.485 nan 8.230 nan 0.000 0.433 698 T N -1.179 113.327 114.554 -0.079 0.000 2.803 698 T HA -0.173 4.177 4.350 -0.000 0.000 0.269 698 T C 2.036 176.609 174.700 -0.210 0.000 1.052 698 T CA 1.463 63.486 62.100 -0.128 0.000 1.136 698 T CB -0.142 68.651 68.868 -0.125 0.000 0.864 698 T HN 0.311 nan 8.240 nan 0.000 0.467 699 S N 1.495 117.092 115.700 -0.171 0.000 2.356 699 S HA -0.049 4.421 4.470 -0.000 0.000 0.223 699 S C 2.645 177.185 174.600 -0.099 0.000 1.032 699 S CA 0.992 59.058 58.200 -0.223 0.000 1.005 699 S CB -0.646 62.599 63.200 0.076 0.000 0.867 699 S HN 0.624 nan 8.310 nan 0.000 0.449 700 A N 2.035 124.850 122.820 -0.009 0.000 1.908 700 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 700 A C 2.044 179.644 177.584 0.026 0.000 1.181 700 A CA 1.588 53.647 52.037 0.036 0.000 0.627 700 A CB -0.495 18.510 19.000 0.009 0.000 0.818 700 A HN 0.478 nan 8.150 nan 0.000 0.445 701 K N -0.606 119.758 120.400 -0.059 0.000 2.057 701 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 701 K C 2.272 178.808 176.600 -0.106 0.000 1.049 701 K CA 1.593 57.831 56.287 -0.082 0.000 0.931 701 K CB -0.233 32.205 32.500 -0.104 0.000 0.714 701 K HN 0.415 nan 8.250 nan 0.000 0.440 702 R N -0.058 120.318 120.500 -0.206 0.000 2.081 702 R HA -0.170 4.169 4.340 -0.000 0.000 0.235 702 R C 2.356 178.634 176.300 -0.036 0.000 1.131 702 R CA 1.601 57.550 56.100 -0.252 0.000 0.960 702 R CB -0.481 29.382 30.300 -0.729 0.000 0.856 702 R HN 0.301 nan 8.270 nan 0.000 0.436 703 Y N 1.443 121.721 120.300 -0.037 0.000 2.128 703 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 703 Y C 1.903 177.768 175.900 -0.058 0.000 1.154 703 Y CA 1.548 59.677 58.100 0.049 0.000 1.149 703 Y CB -0.190 38.291 38.460 0.035 0.000 0.976 703 Y HN -0.074 nan 8.280 nan 0.000 0.505 704 I N 0.432 120.997 120.570 -0.008 0.000 2.179 704 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 704 I C 2.270 178.275 176.117 -0.187 0.000 1.088 704 I CA 1.876 63.094 61.300 -0.136 0.000 1.357 704 I CB -0.495 37.472 38.000 -0.054 0.000 1.051 704 I HN 0.260 nan 8.210 nan 0.000 0.409 705 E N 0.075 120.195 120.200 -0.133 0.000 2.160 705 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 705 E C 1.970 178.496 176.600 -0.123 0.000 0.991 705 E CA 1.953 58.281 56.400 -0.120 0.000 0.810 705 E CB -0.079 29.564 29.700 -0.095 0.000 0.742 705 E HN 0.615 nan 8.360 nan 0.000 0.466 706 T N -1.848 112.624 114.554 -0.137 0.000 3.044 706 T HA -0.012 4.338 4.350 -0.000 0.000 0.250 706 T C 0.654 175.251 174.700 -0.171 0.000 1.081 706 T CA -0.345 61.689 62.100 -0.109 0.000 1.040 706 T CB 0.183 69.028 68.868 -0.037 0.000 0.962 706 T HN -0.147 nan 8.240 nan 0.000 0.506 707 D N 3.768 123.992 120.400 -0.293 0.000 2.472 707 D HA 0.052 4.692 4.640 -0.000 0.000 0.248 707 D C -1.150 175.005 176.300 -0.241 0.000 1.174 707 D CA -1.689 52.117 54.000 -0.324 0.000 0.883 707 D CB 1.642 42.204 40.800 -0.397 0.000 1.149 707 D HN 0.109 nan 8.370 nan 0.000 0.488 708 P HA -0.129 nan 4.420 nan 0.000 0.223 708 P C 0.790 177.832 177.300 -0.429 0.000 1.144 708 P CA 0.754 63.632 63.100 -0.369 0.000 0.783 708 P CB 0.127 31.426 31.700 -0.668 0.000 0.771 709 A N -0.506 122.117 122.820 -0.329 0.000 2.119 709 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 709 A C 0.715 178.221 177.584 -0.130 0.000 1.153 709 A CA 0.673 52.596 52.037 -0.190 0.000 0.692 709 A CB -1.338 17.696 19.000 0.055 0.000 0.799 709 A HN 0.169 nan 8.150 nan 0.000 0.458 710 N N -0.513 118.088 118.700 -0.165 0.000 2.753 710 N HA -0.112 4.628 4.740 -0.000 0.000 0.252 710 N C -0.667 174.761 175.510 -0.137 0.000 1.071 710 N CA 0.394 53.359 53.050 -0.141 0.000 0.690 710 N CB -0.771 37.642 38.487 -0.123 0.000 0.906 710 N HN 0.473 nan 8.380 nan 0.000 0.552 711 R N 0.620 121.007 120.500 -0.188 0.000 2.679 711 R HA 0.028 4.368 4.340 -0.000 0.000 0.268 711 R C 0.313 176.483 176.300 -0.217 0.000 1.044 711 R CA -0.241 55.699 56.100 -0.268 0.000 1.105 711 R CB 0.255 30.349 30.300 -0.343 0.000 0.989 711 R HN 0.305 nan 8.270 nan 0.000 0.447 712 D N 2.039 122.298 120.400 -0.235 0.000 2.450 712 D HA -0.047 4.592 4.640 -0.000 0.000 0.247 712 D C 0.718 176.915 176.300 -0.171 0.000 1.162 712 D CA 0.224 54.119 54.000 -0.176 0.000 0.879 712 D CB 0.640 41.337 40.800 -0.170 0.000 1.163 712 D HN 0.318 nan 8.370 nan 0.000 0.472 713 R N 2.977 123.396 120.500 -0.136 0.000 2.285 713 R HA -0.032 4.308 4.340 -0.000 0.000 0.213 713 R C 1.569 177.793 176.300 -0.126 0.000 1.068 713 R CA 0.621 56.646 56.100 -0.126 0.000 1.004 713 R CB 0.205 30.441 30.300 -0.106 0.000 0.873 713 R HN 0.374 nan 8.270 nan 0.000 0.467 714 R N 0.108 120.529 120.500 -0.132 0.000 2.297 714 R HA 0.059 4.399 4.340 -0.000 0.000 0.197 714 R C 0.210 176.426 176.300 -0.140 0.000 0.943 714 R CA 0.168 56.186 56.100 -0.137 0.000 1.038 714 R CB 0.138 30.358 30.300 -0.134 0.000 0.957 714 R HN 0.001 nan 8.270 nan 0.000 0.484 715 T N 4.396 118.858 114.554 -0.154 0.000 2.819 715 T HA -0.013 4.337 4.350 -0.000 0.000 0.282 715 T C -2.196 172.428 174.700 -0.128 0.000 1.013 715 T CA -0.485 61.517 62.100 -0.163 0.000 1.159 715 T CB 0.421 69.166 68.868 -0.205 0.000 1.007 715 T HN 0.093 nan 8.240 nan 0.000 0.514 716 P HA 0.276 nan 4.420 nan 0.000 0.268 716 P C -0.539 176.695 177.300 -0.109 0.000 1.205 716 P CA -0.083 62.962 63.100 -0.092 0.000 0.771 716 P CB 0.468 32.129 31.700 -0.066 0.000 0.858 717 I N 2.200 122.714 120.570 -0.093 0.000 2.433 717 I HA 0.305 4.475 4.170 -0.000 0.000 0.292 717 I C 0.115 176.169 176.117 -0.106 0.000 1.001 717 I CA -0.221 61.021 61.300 -0.096 0.000 1.119 717 I CB 1.982 39.945 38.000 -0.062 0.000 1.289 717 I HN 0.154 nan 8.210 nan 0.000 0.438 718 T N 5.210 119.674 114.554 -0.149 0.000 2.892 718 T HA 0.373 4.723 4.350 -0.000 0.000 0.311 718 T C -0.278 174.413 174.700 -0.014 0.000 1.033 718 T CA -0.451 61.568 62.100 -0.135 0.000 0.991 718 T CB 1.202 69.877 68.868 -0.322 0.000 0.981 718 T HN 0.130 nan 8.240 nan 0.000 0.457 719 V N 3.979 123.888 119.914 -0.010 0.000 2.546 719 V HA 0.580 4.700 4.120 -0.000 0.000 0.284 719 V C 0.067 176.160 176.094 -0.001 0.000 1.050 719 V CA -0.447 61.854 62.300 0.002 0.000 0.981 719 V CB 1.468 33.275 31.823 -0.027 0.000 0.990 719 V HN 0.641 nan 8.190 nan 0.000 0.474 720 V N 4.385 124.281 119.914 -0.030 0.000 2.808 720 V HA 0.517 4.637 4.120 -0.000 0.000 0.308 720 V C -0.564 175.404 176.094 -0.211 0.000 1.099 720 V CA -0.990 61.265 62.300 -0.074 0.000 0.920 720 V CB 2.485 34.241 31.823 -0.111 0.000 1.014 720 V HN 0.817 nan 8.190 nan 0.000 0.425 721 K N 2.608 122.904 120.400 -0.174 0.000 2.159 721 K HA 0.417 4.737 4.320 -0.000 0.000 0.266 721 K C -0.164 176.267 176.600 -0.282 0.000 0.975 721 K CA -0.427 55.704 56.287 -0.260 0.000 0.865 721 K CB 1.334 33.794 32.500 -0.068 0.000 1.087 721 K HN 0.750 nan 8.250 nan 0.000 0.446 722 Q N 1.189 120.587 119.800 -0.671 0.000 2.320 722 Q HA 0.065 4.405 4.340 -0.000 0.000 0.311 722 Q C 0.460 176.355 176.000 -0.175 0.000 1.083 722 Q CA 1.559 57.042 55.803 -0.533 0.000 1.001 722 Q CB -0.116 28.084 28.738 -0.897 0.000 1.074 722 Q HN 0.833 nan 8.270 nan 0.000 0.379 723 G N 3.639 112.459 108.800 0.033 0.000 2.195 723 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.246 723 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.246 723 G C 0.012 174.588 174.900 -0.541 0.000 0.984 723 G CA 0.162 45.186 45.100 -0.127 0.000 0.633 723 G HN 0.650 nan 8.290 nan 0.000 0.525 724 F N 1.239 121.296 119.950 0.178 0.000 2.777 724 F HA 0.432 4.959 4.527 -0.000 0.000 0.361 724 F C 0.406 176.285 175.800 0.132 0.000 1.254 724 F CA -0.802 57.280 58.000 0.137 0.000 1.181 724 F CB 0.685 39.719 39.000 0.056 0.000 1.082 724 F HN -0.015 nan 8.300 nan 0.000 0.510 725 E N 3.329 123.688 120.200 0.264 0.000 2.384 725 E HA 0.142 4.492 4.350 -0.000 0.000 0.266 725 E C -2.176 174.492 176.600 0.114 0.000 1.012 725 E CA -1.419 55.059 56.400 0.131 0.000 0.901 725 E CB 0.120 29.906 29.700 0.143 0.000 0.967 725 E HN 0.018 nan 8.360 nan 0.000 0.435 726 P HA 0.146 nan 4.420 nan 0.000 0.279 726 P C -2.266 174.962 177.300 -0.120 0.000 1.252 726 P CA -1.792 61.316 63.100 0.013 0.000 0.811 726 P CB 0.829 32.498 31.700 -0.052 0.000 1.035 727 P HA -0.174 nan 4.420 nan 0.000 0.216 727 P C 1.568 178.681 177.300 -0.311 0.000 1.150 727 P CA 1.903 64.775 63.100 -0.380 0.000 0.843 727 P CB -0.404 30.849 31.700 -0.744 0.000 0.787 728 S N -2.832 112.745 115.700 -0.205 0.000 2.555 728 S HA -0.077 4.393 4.470 -0.000 0.000 0.230 728 S C 1.555 176.148 174.600 -0.013 0.000 0.978 728 S CA 0.336 58.502 58.200 -0.058 0.000 0.934 728 S CB -1.254 62.026 63.200 0.134 0.000 0.766 728 S HN 0.113 nan 8.310 nan 0.000 0.533 729 F N 1.995 121.746 119.950 -0.333 0.000 2.479 729 F HA 0.220 4.747 4.527 -0.000 0.000 0.280 729 F C 2.154 177.824 175.800 -0.216 0.000 0.982 729 F CA 0.678 58.389 58.000 -0.482 0.000 1.276 729 F CB -0.283 38.294 39.000 -0.706 0.000 1.137 729 F HN 0.066 nan 8.300 nan 0.000 0.660 730 V N 0.183 119.856 119.914 -0.401 0.000 2.568 730 V HA -0.059 4.061 4.120 -0.000 0.000 0.253 730 V C 2.048 177.949 176.094 -0.322 0.000 1.072 730 V CA 2.192 63.978 62.300 -0.858 0.000 1.084 730 V CB -1.827 29.055 31.823 -1.567 0.000 0.676 730 V HN 0.415 nan 8.190 nan 0.000 0.469 731 G N -1.529 107.093 108.800 -0.296 0.000 2.708 731 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.210 731 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.210 731 G C 0.972 175.689 174.900 -0.305 0.000 1.141 731 G CA 0.328 45.260 45.100 -0.280 0.000 0.788 731 G HN 0.737 nan 8.290 nan 0.000 0.531 732 W N -0.885 120.341 121.300 -0.123 0.000 3.114 732 W HA 0.437 5.097 4.660 -0.000 0.000 0.279 732 W C -0.272 176.045 176.519 -0.336 0.000 1.277 732 W CA -0.845 56.339 57.345 -0.268 0.000 1.630 732 W CB 0.533 29.699 29.460 -0.491 0.000 1.087 732 W HN -0.051 nan 8.180 nan 0.000 0.637 733 F N 1.380 121.343 119.950 0.023 0.000 2.325 733 F HA 0.292 4.818 4.527 -0.000 0.000 0.369 733 F C 0.153 175.987 175.800 0.057 0.000 1.095 733 F CA -1.292 56.740 58.000 0.053 0.000 1.082 733 F CB 0.088 39.172 39.000 0.141 0.000 1.289 733 F HN -0.413 nan 8.300 nan 0.000 0.462 734 L N 3.153 124.469 121.223 0.155 0.000 2.456 734 L HA 0.585 4.925 4.340 -0.000 0.000 0.272 734 L C 1.036 177.972 176.870 0.110 0.000 1.189 734 L CA 0.651 55.552 54.840 0.103 0.000 0.846 734 L CB 0.519 42.602 42.059 0.041 0.000 1.111 734 L HN 0.859 nan 8.230 nan 0.000 0.475 735 G N 2.554 111.405 108.800 0.085 0.000 2.176 735 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.232 735 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.232 735 G C 0.111 175.014 174.900 0.005 0.000 0.986 735 G CA 0.078 45.194 45.100 0.025 0.000 0.643 735 G HN 0.772 nan 8.290 nan 0.000 0.522 736 W N 2.443 123.691 121.300 -0.087 0.000 2.417 736 W HA 0.448 5.108 4.660 -0.000 0.000 0.332 736 W C -0.228 176.216 176.519 -0.126 0.000 1.413 736 W CA 1.311 58.564 57.345 -0.154 0.000 1.299 736 W CB 0.425 29.818 29.460 -0.110 0.000 1.304 736 W HN 0.363 nan 8.180 nan 0.000 0.565 737 D N 3.893 124.011 120.400 -0.470 0.000 2.502 737 D HA 0.111 4.751 4.640 -0.000 0.000 0.249 737 D C 0.509 176.646 176.300 -0.270 0.000 1.092 737 D CA -0.443 53.428 54.000 -0.215 0.000 0.839 737 D CB 1.420 42.132 40.800 -0.146 0.000 1.264 737 D HN 0.281 nan 8.370 nan 0.000 0.511 738 D N 2.095 122.513 120.400 0.030 0.000 2.264 738 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 738 D C 0.153 176.488 176.300 0.058 0.000 0.966 738 D CA 0.825 54.904 54.000 0.133 0.000 0.864 738 D CB 0.287 41.202 40.800 0.193 0.000 0.933 738 D HN 0.565 nan 8.370 nan 0.000 0.499 739 D N -0.325 120.075 120.400 0.001 0.000 2.340 739 D HA -0.061 4.579 4.640 -0.000 0.000 0.217 739 D C 1.503 177.768 176.300 -0.058 0.000 1.081 739 D CA -0.206 53.792 54.000 -0.003 0.000 0.842 739 D CB -0.252 40.544 40.800 -0.007 0.000 0.934 739 D HN 0.304 nan 8.370 nan 0.000 0.511 740 Y N 0.413 120.529 120.300 -0.308 0.000 2.193 740 Y HA -0.244 4.306 4.550 -0.000 0.000 0.285 740 Y C 1.518 177.184 175.900 -0.391 0.000 1.166 740 Y CA 1.578 59.376 58.100 -0.503 0.000 1.181 740 Y CB 0.042 37.915 38.460 -0.978 0.000 0.976 740 Y HN 0.007 nan 8.280 nan 0.000 0.520 741 W N -0.063 121.201 121.300 -0.060 0.000 3.197 741 W HA 0.061 4.720 4.660 -0.000 0.000 0.274 741 W C 2.561 179.024 176.519 -0.093 0.000 1.297 741 W CA 0.955 58.245 57.345 -0.091 0.000 1.662 741 W CB -0.785 28.698 29.460 0.038 0.000 1.106 741 W HN 0.301 nan 8.180 nan 0.000 0.663 742 S N 0.176 115.921 115.700 0.076 0.000 2.368 742 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 742 S C 0.933 175.536 174.600 0.005 0.000 1.030 742 S CA 0.767 58.992 58.200 0.042 0.000 0.999 742 S CB -0.799 62.413 63.200 0.020 0.000 0.844 742 S HN -0.092 nan 8.310 nan 0.000 0.459 743 V N 2.767 122.651 119.914 -0.049 0.000 2.407 743 V HA 0.371 4.491 4.120 -0.000 0.000 0.278 743 V C -0.460 175.583 176.094 -0.084 0.000 1.037 743 V CA -0.953 61.309 62.300 -0.063 0.000 0.900 743 V CB 0.759 32.531 31.823 -0.085 0.000 0.983 743 V HN 0.517 nan 8.190 nan 0.000 0.459 744 D N 8.577 128.957 120.400 -0.033 0.000 2.648 744 D HA 0.032 4.672 4.640 -0.000 0.000 0.229 744 D C -1.221 175.032 176.300 -0.079 0.000 1.119 744 D CA -0.333 53.659 54.000 -0.012 0.000 0.850 744 D CB 1.285 42.091 40.800 0.011 0.000 1.169 744 D HN 0.429 nan 8.370 nan 0.000 0.489 745 P HA -0.199 nan 4.420 nan 0.000 0.215 745 P C 1.531 178.786 177.300 -0.074 0.000 1.153 745 P CA 0.624 63.621 63.100 -0.173 0.000 0.853 745 P CB 0.077 31.751 31.700 -0.043 0.000 0.788 746 L N 0.451 121.668 121.223 -0.010 0.000 2.093 746 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 746 L C 1.680 178.534 176.870 -0.027 0.000 1.085 746 L CA 2.013 56.846 54.840 -0.012 0.000 0.755 746 L CB -1.470 40.599 42.059 0.015 0.000 0.904 746 L HN -0.209 nan 8.230 nan 0.000 0.435 747 D N -0.527 119.856 120.400 -0.028 0.000 2.144 747 D HA -0.219 4.420 4.640 -0.000 0.000 0.199 747 D C 2.181 178.454 176.300 -0.047 0.000 0.984 747 D CA 1.319 55.300 54.000 -0.031 0.000 0.834 747 D CB -0.154 40.630 40.800 -0.026 0.000 0.955 747 D HN 0.408 nan 8.370 nan 0.000 0.465 748 R N 1.087 121.544 120.500 -0.072 0.000 2.088 748 R HA -0.131 4.208 4.340 -0.000 0.000 0.232 748 R C 2.203 178.464 176.300 -0.065 0.000 1.136 748 R CA 1.878 57.929 56.100 -0.083 0.000 0.926 748 R CB -0.453 29.767 30.300 -0.132 0.000 0.837 748 R HN 0.068 nan 8.270 nan 0.000 0.429 749 A N 0.893 123.674 122.820 -0.065 0.000 1.958 749 A HA -0.254 4.066 4.320 -0.000 0.000 0.221 749 A C 2.100 179.656 177.584 -0.046 0.000 1.178 749 A CA 1.885 53.889 52.037 -0.055 0.000 0.642 749 A CB -0.599 18.369 19.000 -0.055 0.000 0.816 749 A HN 0.512 nan 8.150 nan 0.000 0.453 750 M N -0.226 119.351 119.600 -0.039 0.000 2.443 750 M HA -0.111 4.369 4.480 -0.000 0.000 0.267 750 M C 2.350 178.632 176.300 -0.030 0.000 1.069 750 M CA 2.173 57.455 55.300 -0.030 0.000 1.085 750 M CB -0.971 31.616 32.600 -0.021 0.000 1.243 750 M HN 0.414 nan 8.290 nan 0.000 0.464 751 A N -0.913 121.890 122.820 -0.029 0.000 1.834 751 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 751 A C 2.054 179.617 177.584 -0.035 0.000 1.203 751 A CA 2.137 54.158 52.037 -0.028 0.000 0.621 751 A CB -1.207 17.778 19.000 -0.025 0.000 0.841 751 A HN 0.637 nan 8.150 nan 0.000 0.446 752 E N -0.752 119.424 120.200 -0.039 0.000 1.984 752 E HA -0.151 4.199 4.350 -0.000 0.000 0.203 752 E C 1.936 178.509 176.600 -0.044 0.000 0.998 752 E CA 1.100 57.475 56.400 -0.042 0.000 0.865 752 E CB -0.289 29.384 29.700 -0.047 0.000 0.806 752 E HN 0.327 nan 8.360 nan 0.000 0.504 753 L N 0.614 121.809 121.223 -0.047 0.000 2.189 753 L HA -0.220 4.120 4.340 -0.000 0.000 0.214 753 L C 2.083 178.922 176.870 -0.052 0.000 1.097 753 L CA 1.648 56.458 54.840 -0.049 0.000 0.764 753 L CB -1.725 40.304 42.059 -0.051 0.000 0.900 753 L HN 0.239 nan 8.230 nan 0.000 0.436 754 A N -0.089 122.700 122.820 -0.052 0.000 1.861 754 A HA 0.206 4.526 4.320 -0.000 0.000 0.214 754 A C 1.629 179.179 177.584 -0.056 0.000 1.322 754 A CA 0.812 52.815 52.037 -0.057 0.000 0.601 754 A CB -1.045 17.922 19.000 -0.054 0.000 0.966 754 A HN 0.334 nan 8.150 nan 0.000 0.471 755 A N 0.000 122.790 122.820 -0.050 0.000 2.254 755 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 755 A CA 0.000 52.009 52.037 -0.047 0.000 0.836 755 A CB 0.000 18.979 19.000 -0.035 0.000 0.831 755 A HN 0.000 nan 8.150 nan 0.000 0.486