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 1d0n_1_B DATA FIRST_RESID 27 DATA SEQUENCE VEHPEFLKAG KEPGLQIWRV EKFDLVPVPP NLYGDFFTGD AYVILKTVQL DATA SEQUENCE RNGILQYDLH YWLGNECSQD ESGAAAIFTV QLDDYLNGRA VQHREVQGFE DATA SEQUENCE SATFLGYFKS GLKYKKGGVA SGFKHVVPNE VVVQRLLQVK GRRVVRATEV DATA SEQUENCE PVSWESFNNG DcFILDLGNN IYQWcGSKSN RFERLKATQV SKGIRDNERS DATA SEQUENCE GRAQVSVFEE GAEPEAMLQV LGPKPTLPEA TEDTVKEDAA NRKLAKLYKV DATA SEQUENCE SNGAGPMVVS LVADENPFAQ GALRSEDCFI LDHGKDGKIF VWKGKQANME DATA SEQUENCE ERKAALKTAS DFISKMDYPK QTQVSVLPEG GETPLFRQFF KNWRDPDQTE DATA SEQUENCE GLGLAYLSSH IAHVERVPFD AATLHTSTAM AAQHGMDDDG TGQKQIWRVE DATA SEQUENCE GSNKVPVDPA TYGQFYGGDS YIILYNYRHG SRQGQIIYNW QGAQSTQDEV DATA SEQUENCE AASAILTAQL DEELGGTPVQ SRVVQGKEPA HLMSLFGGKP MIVYKGGTSR DATA SEQUENCE EGGQTAPAST RLFQVRASSS GATRAVEIIP KAGALNSNDA FVLKTPSAAY DATA SEQUENCE LWVGAGASEA EKTGAQELLR VLRAQPVQVA EGSEPDSFWE ALGGKATYRT DATA SEQUENCE SPRLKDKKMD AHPPRLFACS NKIGRFVIEE VPGEFMQEDL ATDDVMLLDT DATA SEQUENCE WDQVFVWVGK DSQDEEKTEA LTSAKRYIDT DPAHRDRRTP ITVVKQGFEP DATA SEQUENCE PSFVGWFLGW DDSYWSVDPL DRALAELAA 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 0.000 176.043 176.094 -0.085 0.000 1.182 27 V CA 0.000 62.287 62.300 -0.021 0.000 1.235 27 V CB 0.000 31.777 31.823 -0.077 0.000 1.184 28 E N -0.157 119.972 120.200 -0.119 0.000 4.562 28 E HA -0.263 4.086 4.350 -0.000 0.000 0.293 28 E C 0.194 176.561 176.600 -0.388 0.000 0.724 28 E CA 2.074 58.367 56.400 -0.177 0.000 1.636 28 E CB -0.924 28.746 29.700 -0.051 0.000 1.797 28 E HN 0.984 nan 8.360 nan 0.000 0.420 29 H N -1.323 117.386 119.070 -0.602 0.000 3.069 29 H HA 0.117 4.673 4.556 -0.000 0.000 0.294 29 H C -2.330 172.696 175.328 -0.503 0.000 1.144 29 H CA -0.220 55.395 56.048 -0.721 0.000 1.579 29 H CB 1.431 30.366 29.762 -1.380 0.000 2.174 29 H HN -0.210 nan 8.280 nan 0.000 0.456 30 P HA -0.163 nan 4.420 nan 0.000 0.219 30 P C 0.851 178.173 177.300 0.037 0.000 1.146 30 P CA 1.103 64.134 63.100 -0.115 0.000 0.808 30 P CB 0.529 32.140 31.700 -0.149 0.000 0.779 31 E N -1.129 119.193 120.200 0.205 0.000 2.285 31 E HA -0.040 4.310 4.350 -0.000 0.000 0.194 31 E C 1.749 178.384 176.600 0.058 0.000 0.997 31 E CA 0.531 56.989 56.400 0.097 0.000 0.845 31 E CB -0.574 29.012 29.700 -0.190 0.000 0.782 31 E HN 0.273 nan 8.360 nan 0.000 0.491 32 F N 0.673 120.419 119.950 -0.340 0.000 2.293 32 F HA -0.034 4.493 4.527 -0.000 0.000 0.300 32 F C 2.133 177.702 175.800 -0.386 0.000 1.086 32 F CA 0.445 58.114 58.000 -0.551 0.000 1.375 32 F CB -0.688 37.760 39.000 -0.920 0.000 1.045 32 F HN -0.006 nan 8.300 nan 0.000 0.516 33 L N -0.637 120.588 121.223 0.003 0.000 2.291 33 L HA -0.149 4.190 4.340 -0.000 0.000 0.214 33 L C 1.694 178.666 176.870 0.169 0.000 1.120 33 L CA 1.139 56.050 54.840 0.118 0.000 0.799 33 L CB -0.514 41.598 42.059 0.089 0.000 0.925 33 L HN 0.055 nan 8.230 nan 0.000 0.446 34 K N 0.151 120.659 120.400 0.180 0.000 2.367 34 K HA 0.253 4.573 4.320 -0.000 0.000 0.194 34 K C 0.756 177.512 176.600 0.260 0.000 1.027 34 K CA -0.084 56.330 56.287 0.212 0.000 1.075 34 K CB 0.448 33.092 32.500 0.240 0.000 0.845 34 K HN 0.122 nan 8.250 nan 0.000 0.529 35 A N 1.233 124.213 122.820 0.267 0.000 2.401 35 A HA 0.463 4.783 4.320 -0.000 0.000 0.259 35 A C 0.998 178.674 177.584 0.154 0.000 1.103 35 A CA 0.256 52.456 52.037 0.272 0.000 0.789 35 A CB -0.337 18.732 19.000 0.116 0.000 1.035 35 A HN 0.422 nan 8.150 nan 0.000 0.491 36 G N 2.038 110.922 108.800 0.142 0.000 2.421 36 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.300 36 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.300 36 G C 0.655 175.701 174.900 0.244 0.000 0.974 36 G CA 0.704 45.908 45.100 0.173 0.000 1.062 36 G HN 0.714 nan 8.290 nan 0.000 0.514 37 K N -0.126 120.383 120.400 0.182 0.000 2.356 37 K HA 0.115 4.435 4.320 -0.000 0.000 0.195 37 K C 1.196 177.869 176.600 0.122 0.000 1.037 37 K CA 1.443 57.821 56.287 0.152 0.000 1.014 37 K CB 0.448 33.023 32.500 0.125 0.000 0.815 37 K HN 0.947 nan 8.250 nan 0.000 0.507 38 E N -0.231 120.039 120.200 0.117 0.000 2.407 38 E HA 0.338 4.688 4.350 -0.000 0.000 0.279 38 E C -3.066 173.571 176.600 0.061 0.000 1.012 38 E CA -2.277 54.166 56.400 0.072 0.000 0.800 38 E CB 1.041 30.768 29.700 0.046 0.000 1.276 38 E HN -0.311 nan 8.360 nan 0.000 0.452 39 P HA 0.253 nan 4.420 nan 0.000 0.261 39 P C -0.172 177.121 177.300 -0.011 0.000 1.173 39 P CA 1.225 64.324 63.100 -0.001 0.000 0.760 39 P CB 0.530 32.216 31.700 -0.023 0.000 0.783 40 G N 1.420 110.202 108.800 -0.031 0.000 2.356 40 G HA2 0.293 4.253 3.960 -0.000 0.000 0.288 40 G HA3 0.293 4.253 3.960 -0.000 0.000 0.288 40 G C -2.439 172.404 174.900 -0.095 0.000 1.302 40 G CA -0.786 44.280 45.100 -0.057 0.000 0.887 40 G HN 0.598 nan 8.290 nan 0.000 0.521 41 L N 0.108 121.272 121.223 -0.098 0.000 2.362 41 L HA 0.823 5.163 4.340 -0.000 0.000 0.275 41 L C -0.250 176.562 176.870 -0.095 0.000 0.998 41 L CA -0.374 54.366 54.840 -0.166 0.000 0.820 41 L CB 1.822 43.733 42.059 -0.247 0.000 1.270 41 L HN 0.677 nan 8.230 nan 0.000 0.415 42 Q N 5.419 125.086 119.800 -0.222 0.000 2.356 42 Q HA 0.684 5.024 4.340 -0.000 0.000 0.270 42 Q C -1.449 174.193 176.000 -0.596 0.000 1.058 42 Q CA -0.486 55.067 55.803 -0.418 0.000 0.802 42 Q CB 2.952 31.365 28.738 -0.542 0.000 1.303 42 Q HN 0.591 nan 8.270 nan 0.000 0.444 43 I N 1.458 121.587 120.570 -0.736 0.000 2.533 43 I HA 0.474 4.644 4.170 -0.000 0.000 0.290 43 I C -1.037 174.877 176.117 -0.339 0.000 1.056 43 I CA -0.703 60.330 61.300 -0.446 0.000 1.057 43 I CB 1.587 39.246 38.000 -0.569 0.000 1.240 43 I HN 0.399 nan 8.210 nan 0.000 0.423 44 W N 5.166 126.569 121.300 0.172 0.000 2.736 44 W HA 0.506 5.165 4.660 -0.000 0.000 0.335 44 W C -0.179 176.452 176.519 0.188 0.000 1.059 44 W CA -0.727 56.702 57.345 0.141 0.000 1.226 44 W CB 2.250 31.737 29.460 0.045 0.000 1.416 44 W HN 0.330 nan 8.180 nan 0.000 0.505 45 R N 1.656 122.322 120.500 0.278 0.000 2.368 45 R HA 0.474 4.814 4.340 -0.000 0.000 0.302 45 R C -0.959 175.363 176.300 0.038 0.000 1.002 45 R CA -0.406 55.623 56.100 -0.118 0.000 0.929 45 R CB 1.579 31.790 30.300 -0.148 0.000 1.073 45 R HN 0.285 nan 8.270 nan 0.000 0.464 46 V N 4.763 124.692 119.914 0.024 0.000 2.408 46 V HA 0.147 4.267 4.120 -0.000 0.000 0.267 46 V C -0.200 175.970 176.094 0.125 0.000 1.047 46 V CA 0.131 62.530 62.300 0.165 0.000 0.937 46 V CB 0.977 32.957 31.823 0.262 0.000 0.999 46 V HN 0.772 nan 8.190 nan 0.000 0.472 47 E N 4.634 124.925 120.200 0.152 0.000 2.186 47 E HA 0.388 4.737 4.350 -0.000 0.000 0.255 47 E C -0.536 176.158 176.600 0.156 0.000 0.881 47 E CA -0.776 55.695 56.400 0.118 0.000 0.752 47 E CB 1.162 30.915 29.700 0.089 0.000 1.176 47 E HN 0.533 nan 8.360 nan 0.000 0.421 48 K N 2.733 123.218 120.400 0.142 0.000 3.689 48 K HA -0.242 4.078 4.320 -0.000 0.000 0.276 48 K C -0.283 176.489 176.600 0.288 0.000 0.932 48 K CA 0.621 57.002 56.287 0.157 0.000 0.758 48 K CB -1.380 31.184 32.500 0.107 0.000 1.500 48 K HN 0.874 nan 8.250 nan 0.000 0.448 49 F N -1.228 118.792 119.950 0.118 0.000 3.091 49 F HA -0.328 4.199 4.527 -0.000 0.000 0.288 49 F C 0.109 176.117 175.800 0.346 0.000 0.907 49 F CA 0.631 58.728 58.000 0.163 0.000 1.028 49 F CB -0.260 38.763 39.000 0.037 0.000 1.022 49 F HN 0.543 nan 8.300 nan 0.000 0.665 50 D N 1.024 121.721 120.400 0.494 0.000 2.661 50 D HA 0.529 5.169 4.640 -0.000 0.000 0.228 50 D C -0.954 175.416 176.300 0.116 0.000 1.183 50 D CA -0.380 53.801 54.000 0.302 0.000 0.844 50 D CB 1.627 42.531 40.800 0.172 0.000 1.555 50 D HN 0.152 nan 8.370 nan 0.000 0.453 51 L N 2.122 123.246 121.223 -0.165 0.000 2.257 51 L HA 0.531 4.871 4.340 -0.000 0.000 0.290 51 L C -0.630 176.280 176.870 0.068 0.000 1.044 51 L CA -0.888 53.791 54.840 -0.269 0.000 0.810 51 L CB 1.436 42.928 42.059 -0.945 0.000 1.193 51 L HN 0.164 nan 8.230 nan 0.000 0.425 52 V N 5.157 125.203 119.914 0.220 0.000 2.409 52 V HA 0.337 4.457 4.120 -0.000 0.000 0.291 52 V C -2.160 174.141 176.094 0.344 0.000 1.020 52 V CA -1.990 60.467 62.300 0.261 0.000 0.848 52 V CB 1.742 33.670 31.823 0.176 0.000 0.990 52 V HN 0.568 nan 8.190 nan 0.000 0.430 53 P HA 0.070 nan 4.420 nan 0.000 0.265 53 P C -0.488 176.863 177.300 0.085 0.000 1.193 53 P CA 0.212 63.386 63.100 0.124 0.000 0.765 53 P CB 0.496 32.255 31.700 0.099 0.000 0.823 54 V N 6.786 126.718 119.914 0.031 0.000 2.481 54 V HA 0.258 4.378 4.120 -0.000 0.000 0.286 54 V C -1.975 174.136 176.094 0.029 0.000 1.042 54 V CA -1.957 60.352 62.300 0.014 0.000 0.928 54 V CB 1.054 32.840 31.823 -0.063 0.000 0.986 54 V HN 0.506 nan 8.190 nan 0.000 0.462 55 P HA 0.138 nan 4.420 nan 0.000 0.263 55 P C -2.085 175.037 177.300 -0.297 0.000 1.195 55 P CA -0.935 62.098 63.100 -0.111 0.000 0.762 55 P CB 0.226 31.891 31.700 -0.059 0.000 0.799 56 P HA -0.226 nan 4.420 nan 0.000 0.216 56 P C 1.064 177.925 177.300 -0.733 0.000 1.150 56 P CA 1.462 63.867 63.100 -1.158 0.000 0.843 56 P CB -0.312 30.943 31.700 -0.741 0.000 0.787 57 N N -0.381 118.094 118.700 -0.375 0.000 2.550 57 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 57 N C 1.114 176.517 175.510 -0.178 0.000 1.110 57 N CA 0.870 53.780 53.050 -0.233 0.000 0.912 57 N CB -0.742 37.653 38.487 -0.154 0.000 0.968 57 N HN 0.271 nan 8.380 nan 0.000 0.448 58 L N -0.316 120.796 121.223 -0.185 0.000 2.693 58 L HA 0.245 4.585 4.340 -0.000 0.000 0.235 58 L C -0.091 176.698 176.870 -0.135 0.000 1.127 58 L CA -0.479 54.280 54.840 -0.134 0.000 0.914 58 L CB -0.159 41.842 42.059 -0.096 0.000 1.193 58 L HN -0.104 nan 8.230 nan 0.000 0.502 59 Y N 1.312 121.452 120.300 -0.267 0.000 2.811 59 Y HA 0.176 4.726 4.550 -0.000 0.000 0.334 59 Y C 1.570 177.248 175.900 -0.370 0.000 1.247 59 Y CA 0.816 58.737 58.100 -0.298 0.000 1.526 59 Y CB 0.082 38.494 38.460 -0.080 0.000 1.284 59 Y HN 0.265 nan 8.280 nan 0.000 0.586 60 G N 2.212 110.619 108.800 -0.655 0.000 2.259 60 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 60 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 60 G C -0.245 174.199 174.900 -0.760 0.000 1.001 60 G CA -0.112 44.505 45.100 -0.806 0.000 0.627 60 G HN 0.540 nan 8.290 nan 0.000 0.501 61 D N 0.548 120.491 120.400 -0.762 0.000 2.277 61 D HA 0.655 5.295 4.640 -0.000 0.000 0.249 61 D C -0.499 175.262 176.300 -0.899 0.000 1.134 61 D CA 0.428 54.084 54.000 -0.574 0.000 0.863 61 D CB 0.537 41.151 40.800 -0.310 0.000 1.143 61 D HN 0.106 nan 8.370 nan 0.000 0.458 62 F N 1.798 121.523 119.950 -0.375 0.000 2.574 62 F HA 0.378 4.904 4.527 -0.000 0.000 0.313 62 F C -0.427 175.299 175.800 -0.123 0.000 1.130 62 F CA -0.939 56.762 58.000 -0.497 0.000 0.936 62 F CB 1.016 39.303 39.000 -1.188 0.000 1.219 62 F HN 0.163 nan 8.300 nan 0.000 0.445 63 F N 1.564 121.792 119.950 0.464 0.000 2.412 63 F HA 0.215 4.742 4.527 -0.000 0.000 0.348 63 F C 1.659 177.755 175.800 0.493 0.000 1.102 63 F CA 0.119 58.346 58.000 0.379 0.000 1.196 63 F CB 1.275 40.460 39.000 0.308 0.000 1.144 63 F HN 0.522 nan 8.300 nan 0.000 0.541 64 T N 1.987 116.847 114.554 0.509 0.000 2.915 64 T HA -0.095 4.254 4.350 -0.000 0.000 0.269 64 T C 1.915 176.786 174.700 0.284 0.000 1.071 64 T CA 1.463 63.774 62.100 0.351 0.000 1.132 64 T CB -0.265 68.723 68.868 0.201 0.000 0.878 64 T HN 0.854 nan 8.240 nan 0.000 0.479 65 G N 0.633 109.620 108.800 0.311 0.000 3.141 65 G HA2 0.139 4.099 3.960 -0.000 0.000 0.218 65 G HA3 0.139 4.099 3.960 -0.000 0.000 0.218 65 G C -0.135 174.909 174.900 0.239 0.000 1.170 65 G CA -0.245 44.984 45.100 0.214 0.000 0.769 65 G HN 0.315 nan 8.290 nan 0.000 0.546 66 D N -0.289 120.351 120.400 0.400 0.000 2.506 66 D HA 0.708 5.348 4.640 -0.000 0.000 0.254 66 D C -0.162 176.442 176.300 0.507 0.000 1.089 66 D CA -0.266 53.966 54.000 0.387 0.000 1.050 66 D CB 1.889 42.915 40.800 0.377 0.000 1.221 66 D HN 0.097 nan 8.370 nan 0.000 0.589 67 A N -0.010 123.050 122.820 0.401 0.000 2.401 67 A HA 0.719 5.039 4.320 -0.000 0.000 0.310 67 A C -1.689 176.215 177.584 0.535 0.000 1.075 67 A CA -0.500 51.849 52.037 0.520 0.000 0.746 67 A CB 1.031 20.232 19.000 0.333 0.000 1.277 67 A HN 0.448 nan 8.150 nan 0.000 0.425 68 Y N -0.571 120.065 120.300 0.560 0.000 2.581 68 Y HA 0.593 5.143 4.550 -0.000 0.000 0.345 68 Y C -0.314 175.899 175.900 0.522 0.000 1.036 68 Y CA -1.018 57.404 58.100 0.536 0.000 1.042 68 Y CB 2.310 41.127 38.460 0.596 0.000 1.289 68 Y HN 0.436 nan 8.280 nan 0.000 0.471 69 V N 3.669 123.989 119.914 0.677 0.000 2.487 69 V HA 0.510 4.630 4.120 -0.000 0.000 0.298 69 V C -0.940 175.535 176.094 0.635 0.000 1.028 69 V CA -0.621 62.043 62.300 0.607 0.000 0.860 69 V CB 1.462 33.563 31.823 0.463 0.000 0.991 69 V HN 0.470 nan 8.190 nan 0.000 0.427 70 I N 5.769 126.688 120.570 0.581 0.000 2.465 70 I HA 0.562 4.732 4.170 -0.000 0.000 0.291 70 I C -0.752 175.638 176.117 0.455 0.000 1.014 70 I CA -0.466 61.114 61.300 0.467 0.000 1.093 70 I CB 1.823 40.138 38.000 0.524 0.000 1.267 70 I HN 0.447 nan 8.210 nan 0.000 0.431 71 L N 6.665 128.070 121.223 0.302 0.000 2.372 71 L HA 0.643 4.983 4.340 -0.000 0.000 0.274 71 L C -0.800 176.139 176.870 0.114 0.000 0.988 71 L CA -0.672 54.341 54.840 0.287 0.000 0.833 71 L CB 1.129 43.385 42.059 0.327 0.000 1.236 71 L HN 0.471 nan 8.230 nan 0.000 0.410 72 K N 2.890 123.369 120.400 0.131 0.000 2.265 72 K HA 0.652 4.972 4.320 -0.000 0.000 0.267 72 K C -1.102 175.560 176.600 0.104 0.000 0.994 72 K CA -0.091 56.150 56.287 -0.077 0.000 0.860 72 K CB 1.229 33.562 32.500 -0.278 0.000 1.099 72 K HN 0.654 nan 8.250 nan 0.000 0.448 73 T N 3.819 118.410 114.554 0.062 0.000 2.772 73 T HA 0.426 4.776 4.350 -0.000 0.000 0.288 73 T C -0.956 173.734 174.700 -0.015 0.000 0.994 73 T CA -0.644 61.527 62.100 0.119 0.000 0.951 73 T CB 0.984 69.979 68.868 0.211 0.000 0.933 73 T HN 0.282 nan 8.240 nan 0.000 0.447 74 V N 3.776 123.646 119.914 -0.073 0.000 2.555 74 V HA 0.408 4.528 4.120 -0.000 0.000 0.302 74 V C 0.089 176.103 176.094 -0.134 0.000 1.038 74 V CA -0.948 61.287 62.300 -0.107 0.000 0.887 74 V CB 1.906 33.647 31.823 -0.137 0.000 0.991 74 V HN 0.809 nan 8.190 nan 0.000 0.434 75 Q N 3.780 123.518 119.800 -0.104 0.000 2.314 75 Q HA 0.469 4.808 4.340 -0.000 0.000 0.257 75 Q C -0.558 175.378 176.000 -0.108 0.000 0.975 75 Q CA -0.304 55.440 55.803 -0.099 0.000 0.933 75 Q CB 0.839 29.538 28.738 -0.065 0.000 1.195 75 Q HN 0.651 nan 8.270 nan 0.000 0.426 76 L N 3.314 124.469 121.223 -0.115 0.000 2.468 76 L HA 0.123 4.463 4.340 -0.000 0.000 0.253 76 L C 1.649 178.474 176.870 -0.076 0.000 1.237 76 L CA -0.064 54.713 54.840 -0.105 0.000 0.823 76 L CB 0.271 42.272 42.059 -0.096 0.000 1.124 76 L HN 0.774 nan 8.230 nan 0.000 0.504 77 R N 0.681 121.142 120.500 -0.066 0.000 2.148 77 R HA -0.121 4.219 4.340 -0.000 0.000 0.227 77 R C 1.178 177.458 176.300 -0.034 0.000 1.103 77 R CA 1.385 57.456 56.100 -0.047 0.000 0.983 77 R CB -0.355 29.922 30.300 -0.039 0.000 0.874 77 R HN 0.673 nan 8.270 nan 0.000 0.451 78 N N -0.360 118.320 118.700 -0.033 0.000 2.314 78 N HA 0.052 4.792 4.740 -0.000 0.000 0.200 78 N C 0.915 176.409 175.510 -0.026 0.000 1.135 78 N CA 0.736 53.772 53.050 -0.024 0.000 0.835 78 N CB 0.754 39.231 38.487 -0.018 0.000 0.989 78 N HN 0.255 nan 8.380 nan 0.000 0.478 79 G N -0.510 108.269 108.800 -0.034 0.000 2.225 79 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.254 79 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.254 79 G C 0.016 174.892 174.900 -0.041 0.000 0.988 79 G CA 0.241 45.322 45.100 -0.032 0.000 0.625 79 G HN 0.291 nan 8.290 nan 0.000 0.527 80 I N 1.388 121.928 120.570 -0.051 0.000 3.004 80 I HA 0.369 4.538 4.170 -0.000 0.000 0.287 80 I C 1.237 177.287 176.117 -0.113 0.000 1.144 80 I CA -0.286 60.974 61.300 -0.068 0.000 1.353 80 I CB 0.573 38.536 38.000 -0.063 0.000 1.417 80 I HN 0.055 nan 8.210 nan 0.000 0.602 81 L N 3.363 124.487 121.223 -0.165 0.000 2.322 81 L HA 0.434 4.774 4.340 -0.000 0.000 0.279 81 L C 0.019 176.596 176.870 -0.489 0.000 1.036 81 L CA -0.536 54.126 54.840 -0.296 0.000 0.807 81 L CB 1.444 43.330 42.059 -0.289 0.000 1.226 81 L HN 0.579 nan 8.230 nan 0.000 0.433 82 Q N 2.151 121.654 119.800 -0.495 0.000 2.342 82 Q HA 0.440 4.779 4.340 -0.000 0.000 0.267 82 Q C -1.969 173.761 176.000 -0.449 0.000 1.038 82 Q CA -0.626 54.929 55.803 -0.414 0.000 0.832 82 Q CB 1.957 30.559 28.738 -0.227 0.000 1.323 82 Q HN 0.524 nan 8.270 nan 0.000 0.448 83 Y N 1.566 121.925 120.300 0.097 0.000 2.364 83 Y HA 0.375 4.925 4.550 -0.000 0.000 0.340 83 Y C -0.467 175.555 175.900 0.203 0.000 0.975 83 Y CA -0.996 57.181 58.100 0.128 0.000 1.089 83 Y CB 1.950 40.472 38.460 0.102 0.000 1.192 83 Y HN 0.499 nan 8.280 nan 0.000 0.454 84 D N 4.455 125.117 120.400 0.437 0.000 2.440 84 D HA 0.318 4.958 4.640 -0.000 0.000 0.239 84 D C -1.154 175.460 176.300 0.523 0.000 1.084 84 D CA -0.252 54.041 54.000 0.488 0.000 0.843 84 D CB 2.241 43.408 40.800 0.612 0.000 1.097 84 D HN 0.451 nan 8.370 nan 0.000 0.531 85 L N 3.999 125.464 121.223 0.403 0.000 2.305 85 L HA 0.351 4.691 4.340 -0.000 0.000 0.284 85 L C -0.431 176.718 176.870 0.465 0.000 1.013 85 L CA -0.496 54.594 54.840 0.418 0.000 0.819 85 L CB 0.921 43.124 42.059 0.240 0.000 1.227 85 L HN 0.361 nan 8.230 nan 0.000 0.417 86 H N 3.757 123.116 119.070 0.482 0.000 2.747 86 H HA 0.392 4.947 4.556 -0.000 0.000 0.371 86 H C -1.539 174.068 175.328 0.464 0.000 1.161 86 H CA -0.755 55.560 56.048 0.446 0.000 1.167 86 H CB 2.359 32.354 29.762 0.388 0.000 1.732 86 H HN 0.519 nan 8.280 nan 0.000 0.544 87 Y N -0.734 119.778 120.300 0.353 0.000 2.391 87 Y HA 0.375 4.924 4.550 -0.000 0.000 0.341 87 Y C -1.465 174.583 175.900 0.247 0.000 0.965 87 Y CA -1.417 56.876 58.100 0.322 0.000 1.067 87 Y CB 1.350 39.966 38.460 0.260 0.000 1.199 87 Y HN 0.641 nan 8.280 nan 0.000 0.450 88 W N 6.856 128.194 121.300 0.063 0.000 2.529 88 W HA 0.740 5.400 4.660 -0.000 0.000 0.321 88 W C -2.053 174.465 176.519 -0.002 0.000 1.047 88 W CA -1.192 56.035 57.345 -0.197 0.000 1.216 88 W CB 1.383 30.589 29.460 -0.424 0.000 1.357 88 W HN 0.640 nan 8.180 nan 0.000 0.489 89 L N 7.131 128.028 121.223 -0.544 0.000 2.305 89 L HA 0.587 4.927 4.340 -0.000 0.000 0.284 89 L C 0.949 177.203 176.870 -1.026 0.000 1.013 89 L CA -0.967 53.593 54.840 -0.467 0.000 0.819 89 L CB 1.059 42.955 42.059 -0.272 0.000 1.227 89 L HN 0.639 nan 8.230 nan 0.000 0.417 90 G N 1.481 109.863 108.800 -0.697 0.000 2.539 90 G HA2 0.079 4.039 3.960 -0.000 0.000 0.258 90 G HA3 0.079 4.039 3.960 -0.000 0.000 0.258 90 G C 0.414 175.118 174.900 -0.326 0.000 1.202 90 G CA -0.400 44.328 45.100 -0.621 0.000 0.851 90 G HN 0.842 nan 8.290 nan 0.000 0.556 91 N N -0.268 118.286 118.700 -0.244 0.000 2.309 91 N HA -0.084 4.656 4.740 -0.000 0.000 0.182 91 N C 0.763 176.241 175.510 -0.053 0.000 1.018 91 N CA 0.556 53.525 53.050 -0.134 0.000 0.876 91 N CB 0.260 38.694 38.487 -0.088 0.000 0.972 91 N HN 0.412 nan 8.380 nan 0.000 0.434 92 E N 0.317 120.513 120.200 -0.006 0.000 2.496 92 E HA 0.066 4.416 4.350 -0.000 0.000 0.200 92 E C -0.487 176.137 176.600 0.040 0.000 1.016 92 E CA -0.163 56.254 56.400 0.028 0.000 0.962 92 E CB -0.259 29.477 29.700 0.060 0.000 1.071 92 E HN 0.210 nan 8.360 nan 0.000 0.457 93 C N 2.463 121.775 119.300 0.019 0.000 2.527 93 C HA 0.363 4.823 4.460 -0.000 0.000 0.396 93 C C 1.342 176.344 174.990 0.020 0.000 1.289 93 C CA -0.380 58.662 59.018 0.040 0.000 2.047 93 C CB -0.289 27.470 27.740 0.032 0.000 2.568 93 C HN 0.474 nan 8.230 nan 0.000 0.573 94 S N 5.410 121.127 115.700 0.029 0.000 2.624 94 S HA 0.163 4.633 4.470 -0.000 0.000 0.263 94 S C 1.094 175.693 174.600 -0.001 0.000 1.287 94 S CA -0.039 58.167 58.200 0.010 0.000 0.990 94 S CB 0.996 64.201 63.200 0.008 0.000 0.950 94 S HN 0.905 nan 8.310 nan 0.000 0.561 95 Q N 0.658 120.449 119.800 -0.016 0.000 2.172 95 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 95 Q C 0.654 176.624 176.000 -0.049 0.000 0.964 95 Q CA 1.549 57.336 55.803 -0.027 0.000 0.855 95 Q CB -0.866 27.853 28.738 -0.032 0.000 0.918 95 Q HN 0.762 nan 8.270 nan 0.000 0.444 96 D N 1.468 121.831 120.400 -0.062 0.000 2.123 96 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 96 D C 1.714 177.943 176.300 -0.118 0.000 0.976 96 D CA 1.079 55.011 54.000 -0.113 0.000 0.831 96 D CB 0.096 40.829 40.800 -0.112 0.000 0.974 96 D HN 0.454 nan 8.370 nan 0.000 0.469 97 E N 0.445 120.619 120.200 -0.044 0.000 2.072 97 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 97 E C 2.189 178.814 176.600 0.042 0.000 0.985 97 E CA 1.383 57.789 56.400 0.010 0.000 0.801 97 E CB 0.067 29.802 29.700 0.058 0.000 0.750 97 E HN 0.201 nan 8.360 nan 0.000 0.452 98 S N -0.144 115.580 115.700 0.039 0.000 2.406 98 S HA -0.047 4.423 4.470 -0.000 0.000 0.228 98 S C 2.181 176.795 174.600 0.022 0.000 1.020 98 S CA 0.780 59.028 58.200 0.081 0.000 0.965 98 S CB -0.489 62.751 63.200 0.068 0.000 0.798 98 S HN 0.311 nan 8.310 nan 0.000 0.488 99 G N 1.656 110.421 108.800 -0.058 0.000 2.402 99 G HA2 0.098 4.058 3.960 -0.000 0.000 0.216 99 G HA3 0.098 4.058 3.960 -0.000 0.000 0.216 99 G C 1.670 176.450 174.900 -0.199 0.000 1.162 99 G CA 0.717 45.741 45.100 -0.127 0.000 0.777 99 G HN 0.735 nan 8.290 nan 0.000 0.539 100 A N 1.270 123.943 122.820 -0.245 0.000 1.908 100 A HA 0.221 4.541 4.320 -0.000 0.000 0.218 100 A C 2.818 180.371 177.584 -0.051 0.000 1.181 100 A CA 2.331 54.184 52.037 -0.307 0.000 0.627 100 A CB -0.818 18.031 19.000 -0.252 0.000 0.818 100 A HN 0.788 nan 8.150 nan 0.000 0.445 101 A N -0.212 122.652 122.820 0.074 0.000 1.902 101 A HA 0.148 4.468 4.320 -0.000 0.000 0.217 101 A C 2.494 179.991 177.584 -0.144 0.000 1.181 101 A CA 2.136 54.271 52.037 0.163 0.000 0.623 101 A CB -0.972 18.196 19.000 0.279 0.000 0.818 101 A HN 1.075 nan 8.150 nan 0.000 0.443 102 A N -0.195 122.390 122.820 -0.392 0.000 1.930 102 A HA -0.017 4.302 4.320 -0.000 0.000 0.217 102 A C 2.100 179.513 177.584 -0.284 0.000 1.175 102 A CA 1.366 53.015 52.037 -0.647 0.000 0.627 102 A CB -0.558 18.166 19.000 -0.459 0.000 0.815 102 A HN 0.500 nan 8.150 nan 0.000 0.443 103 I N -1.709 118.750 120.570 -0.184 0.000 2.179 103 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 103 I C 2.292 178.392 176.117 -0.029 0.000 1.088 103 I CA 1.496 62.721 61.300 -0.124 0.000 1.357 103 I CB -0.435 37.470 38.000 -0.158 0.000 1.051 103 I HN 0.351 nan 8.210 nan 0.000 0.409 104 F N 0.692 120.679 119.950 0.061 0.000 2.216 104 F HA -0.217 4.310 4.527 -0.000 0.000 0.300 104 F C 2.685 178.486 175.800 0.001 0.000 1.085 104 F CA 1.233 59.281 58.000 0.080 0.000 1.326 104 F CB -0.420 38.620 39.000 0.067 0.000 1.027 104 F HN 0.032 nan 8.300 nan 0.000 0.497 105 T N -0.343 114.283 114.554 0.120 0.000 2.737 105 T HA -0.147 4.203 4.350 -0.000 0.000 0.265 105 T C 2.134 176.843 174.700 0.015 0.000 1.038 105 T CA 1.270 63.397 62.100 0.044 0.000 1.144 105 T CB -0.502 68.347 68.868 -0.031 0.000 0.866 105 T HN -0.004 nan 8.240 nan 0.000 0.434 106 V N 1.497 121.409 119.914 -0.003 0.000 2.295 106 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 106 V C 2.569 178.685 176.094 0.036 0.000 1.049 106 V CA 1.765 64.067 62.300 0.004 0.000 1.024 106 V CB -0.648 31.168 31.823 -0.011 0.000 0.648 106 V HN 0.496 nan 8.190 nan 0.000 0.447 107 Q N -1.031 118.827 119.800 0.098 0.000 2.230 107 Q HA -0.133 4.206 4.340 -0.000 0.000 0.202 107 Q C 2.124 178.179 176.000 0.091 0.000 0.963 107 Q CA 1.088 57.000 55.803 0.182 0.000 0.866 107 Q CB -0.155 28.777 28.738 0.324 0.000 0.931 107 Q HN 0.492 nan 8.270 nan 0.000 0.452 108 L N 0.707 121.843 121.223 -0.145 0.000 2.179 108 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 108 L C 1.600 178.320 176.870 -0.250 0.000 1.096 108 L CA 1.871 56.345 54.840 -0.609 0.000 0.779 108 L CB -0.387 41.276 42.059 -0.659 0.000 0.922 108 L HN 0.114 nan 8.230 nan 0.000 0.443 109 D N -0.884 119.455 120.400 -0.102 0.000 2.097 109 D HA -0.250 4.390 4.640 -0.000 0.000 0.197 109 D C 1.866 178.154 176.300 -0.020 0.000 0.984 109 D CA 1.367 55.339 54.000 -0.046 0.000 0.826 109 D CB -0.068 40.724 40.800 -0.013 0.000 0.973 109 D HN 0.387 nan 8.370 nan 0.000 0.460 110 D N -1.258 119.150 120.400 0.013 0.000 2.133 110 D HA -0.253 4.387 4.640 -0.000 0.000 0.195 110 D C 1.859 178.200 176.300 0.068 0.000 0.997 110 D CA 0.987 55.014 54.000 0.045 0.000 0.840 110 D CB -0.522 40.325 40.800 0.079 0.000 0.947 110 D HN 0.365 nan 8.370 nan 0.000 0.452 111 Y N 0.639 120.907 120.300 -0.054 0.000 2.224 111 Y HA -0.011 4.539 4.550 -0.000 0.000 0.289 111 Y C 1.402 177.260 175.900 -0.070 0.000 1.146 111 Y CA 1.200 59.275 58.100 -0.042 0.000 1.182 111 Y CB -0.137 38.264 38.460 -0.098 0.000 0.983 111 Y HN -0.010 nan 8.280 nan 0.000 0.524 112 L N 1.786 122.938 121.223 -0.118 0.000 2.779 112 L HA 0.031 4.371 4.340 -0.000 0.000 0.239 112 L C 0.096 176.937 176.870 -0.047 0.000 1.245 112 L CA 0.160 54.907 54.840 -0.155 0.000 1.064 112 L CB -0.876 41.067 42.059 -0.194 0.000 1.350 112 L HN 0.294 nan 8.230 nan 0.000 0.455 113 N N 0.638 119.295 118.700 -0.073 0.000 2.696 113 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 113 N C 1.128 176.635 175.510 -0.005 0.000 1.090 113 N CA 0.995 54.025 53.050 -0.033 0.000 0.716 113 N CB -1.417 37.051 38.487 -0.032 0.000 1.020 113 N HN 0.688 nan 8.380 nan 0.000 0.548 114 G N -0.385 108.414 108.800 -0.001 0.000 2.321 114 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.287 114 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.287 114 G C 0.890 175.797 174.900 0.011 0.000 1.018 114 G CA 0.919 46.018 45.100 -0.002 0.000 0.855 114 G HN 0.655 nan 8.290 nan 0.000 0.507 115 R N -0.327 120.209 120.500 0.061 0.000 2.334 115 R HA 0.506 4.846 4.340 -0.000 0.000 0.216 115 R C 1.591 177.965 176.300 0.124 0.000 0.905 115 R CA 0.485 56.632 56.100 0.079 0.000 1.064 115 R CB 0.467 30.826 30.300 0.097 0.000 1.046 115 R HN 0.532 nan 8.270 nan 0.000 0.508 116 A N 0.945 123.856 122.820 0.150 0.000 2.351 116 A HA 0.404 4.724 4.320 -0.000 0.000 0.257 116 A C -0.039 177.591 177.584 0.078 0.000 1.087 116 A CA -0.344 51.804 52.037 0.184 0.000 0.798 116 A CB 0.770 19.879 19.000 0.182 0.000 1.033 116 A HN 0.008 nan 8.150 nan 0.000 0.488 117 V N 2.835 122.801 119.914 0.087 0.000 2.370 117 V HA 0.230 4.350 4.120 -0.000 0.000 0.279 117 V C 0.149 176.114 176.094 -0.215 0.000 1.029 117 V CA -0.248 62.011 62.300 -0.068 0.000 0.870 117 V CB 0.911 32.724 31.823 -0.016 0.000 0.984 117 V HN 0.993 nan 8.190 nan 0.000 0.451 118 Q N 4.221 123.848 119.800 -0.288 0.000 2.214 118 Q HA 0.578 4.918 4.340 -0.000 0.000 0.251 118 Q C -1.002 174.672 176.000 -0.544 0.000 0.936 118 Q CA -0.616 55.041 55.803 -0.244 0.000 0.894 118 Q CB 1.690 30.405 28.738 -0.039 0.000 1.252 118 Q HN 0.706 nan 8.270 nan 0.000 0.448 119 H N 0.718 119.775 119.070 -0.022 0.000 2.894 119 H HA 0.366 4.922 4.556 -0.000 0.000 0.367 119 H C -1.157 174.100 175.328 -0.117 0.000 1.144 119 H CA -0.699 55.286 56.048 -0.106 0.000 1.180 119 H CB 2.005 31.588 29.762 -0.299 0.000 1.758 119 H HN 0.471 nan 8.280 nan 0.000 0.541 120 R N 2.132 122.559 120.500 -0.123 0.000 2.310 120 R HA 0.198 4.538 4.340 -0.000 0.000 0.324 120 R C -0.975 175.108 176.300 -0.362 0.000 0.955 120 R CA -0.544 55.252 56.100 -0.506 0.000 0.830 120 R CB 0.753 30.829 30.300 -0.374 0.000 1.154 120 R HN 0.542 nan 8.270 nan 0.000 0.458 121 E N 3.919 123.847 120.200 -0.454 0.000 2.158 121 E HA 0.261 4.611 4.350 -0.000 0.000 0.271 121 E C -0.868 175.425 176.600 -0.511 0.000 0.911 121 E CA -0.736 55.424 56.400 -0.400 0.000 0.767 121 E CB 2.413 31.775 29.700 -0.564 0.000 1.120 121 E HN 0.271 nan 8.360 nan 0.000 0.405 122 V N 2.634 122.307 119.914 -0.403 0.000 2.513 122 V HA 0.158 4.278 4.120 -0.000 0.000 0.299 122 V C 0.461 176.301 176.094 -0.424 0.000 1.035 122 V CA -0.887 61.125 62.300 -0.479 0.000 0.889 122 V CB 1.825 33.486 31.823 -0.270 0.000 0.988 122 V HN 0.625 nan 8.190 nan 0.000 0.440 123 Q N 2.240 121.591 119.800 -0.748 0.000 2.308 123 Q HA 0.152 4.492 4.340 -0.000 0.000 0.313 123 Q C 1.278 177.232 176.000 -0.077 0.000 1.075 123 Q CA 1.462 56.973 55.803 -0.487 0.000 0.995 123 Q CB 0.188 28.516 28.738 -0.684 0.000 1.107 123 Q HN 1.257 nan 8.270 nan 0.000 0.380 124 G N 3.575 112.399 108.800 0.039 0.000 2.225 124 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.254 124 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.254 124 G C 0.050 174.645 174.900 -0.509 0.000 0.988 124 G CA 0.277 45.292 45.100 -0.142 0.000 0.625 124 G HN 0.639 nan 8.290 nan 0.000 0.527 125 F N 1.562 121.518 119.950 0.011 0.000 2.733 125 F HA 0.467 4.994 4.527 -0.000 0.000 0.380 125 F C 0.421 176.214 175.800 -0.011 0.000 1.324 125 F CA -0.911 57.086 58.000 -0.004 0.000 1.178 125 F CB 0.579 39.550 39.000 -0.049 0.000 1.093 125 F HN -0.006 nan 8.300 nan 0.000 0.512 126 E N 0.740 121.034 120.200 0.157 0.000 2.404 126 E HA 0.238 4.587 4.350 -0.000 0.000 0.261 126 E C 0.583 177.264 176.600 0.136 0.000 1.074 126 E CA -0.134 56.344 56.400 0.130 0.000 0.917 126 E CB 0.443 30.332 29.700 0.316 0.000 0.965 126 E HN 0.262 nan 8.360 nan 0.000 0.433 127 S N 0.857 116.621 115.700 0.107 0.000 2.593 127 S HA 0.329 4.799 4.470 -0.000 0.000 0.269 127 S C 1.143 175.793 174.600 0.084 0.000 1.334 127 S CA -0.298 57.954 58.200 0.088 0.000 1.015 127 S CB 1.402 64.634 63.200 0.055 0.000 0.912 127 S HN 0.590 nan 8.310 nan 0.000 0.541 128 A N 2.186 125.031 122.820 0.043 0.000 1.940 128 A HA -0.042 4.277 4.320 -0.000 0.000 0.219 128 A C 2.247 179.783 177.584 -0.079 0.000 1.176 128 A CA 2.164 54.192 52.037 -0.016 0.000 0.631 128 A CB -1.880 17.098 19.000 -0.038 0.000 0.814 128 A HN 0.905 nan 8.150 nan 0.000 0.446 129 T N -0.825 113.694 114.554 -0.058 0.000 2.674 129 T HA -0.148 4.202 4.350 -0.000 0.000 0.265 129 T C 1.612 176.009 174.700 -0.505 0.000 1.039 129 T CA 1.635 63.656 62.100 -0.132 0.000 1.150 129 T CB -0.435 68.430 68.868 -0.006 0.000 0.864 129 T HN 0.486 nan 8.240 nan 0.000 0.427 130 F N 1.868 121.499 119.950 -0.532 0.000 2.046 130 F HA -0.087 4.440 4.527 -0.000 0.000 0.297 130 F C 2.011 177.425 175.800 -0.644 0.000 1.123 130 F CA 1.277 58.784 58.000 -0.821 0.000 1.199 130 F CB -0.650 38.182 39.000 -0.280 0.000 0.972 130 F HN 0.041 nan 8.300 nan 0.000 0.474 131 L N -0.025 121.100 121.223 -0.163 0.000 2.187 131 L HA -0.188 4.151 4.340 -0.000 0.000 0.213 131 L C 2.631 179.367 176.870 -0.222 0.000 1.100 131 L CA 1.193 55.981 54.840 -0.086 0.000 0.765 131 L CB -1.550 40.534 42.059 0.040 0.000 0.904 131 L HN 0.388 nan 8.230 nan 0.000 0.437 132 G N -1.297 107.301 108.800 -0.336 0.000 2.559 132 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.216 132 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.216 132 G C 1.073 175.829 174.900 -0.241 0.000 1.126 132 G CA 0.148 45.102 45.100 -0.243 0.000 0.778 132 G HN 0.310 nan 8.290 nan 0.000 0.543 133 Y N -0.354 119.596 120.300 -0.583 0.000 2.519 133 Y HA 0.308 4.858 4.550 -0.000 0.000 0.287 133 Y C 0.349 175.645 175.900 -1.006 0.000 1.128 133 Y CA -1.303 56.259 58.100 -0.897 0.000 1.282 133 Y CB -0.306 37.321 38.460 -1.388 0.000 1.027 133 Y HN 0.149 nan 8.280 nan 0.000 0.551 134 F N -0.040 119.846 119.950 -0.107 0.000 2.443 134 F HA 0.432 4.959 4.527 -0.000 0.000 0.369 134 F C 1.084 176.823 175.800 -0.101 0.000 1.090 134 F CA -1.033 56.900 58.000 -0.113 0.000 1.129 134 F CB 0.962 39.867 39.000 -0.158 0.000 1.367 134 F HN -0.361 nan 8.300 nan 0.000 0.465 135 K N 0.455 120.868 120.400 0.022 0.000 2.062 135 K HA -0.033 4.287 4.320 -0.000 0.000 0.205 135 K C 1.778 178.373 176.600 -0.009 0.000 1.051 135 K CA 0.801 57.084 56.287 -0.007 0.000 0.941 135 K CB -0.141 32.339 32.500 -0.033 0.000 0.719 135 K HN 0.423 nan 8.250 nan 0.000 0.440 136 S N 0.150 115.847 115.700 -0.004 0.000 2.469 136 S HA -0.002 4.468 4.470 -0.000 0.000 0.238 136 S C 1.012 175.582 174.600 -0.050 0.000 0.998 136 S CA 0.825 59.005 58.200 -0.033 0.000 0.957 136 S CB -0.112 63.068 63.200 -0.034 0.000 0.764 136 S HN 0.579 nan 8.310 nan 0.000 0.514 137 G N 0.150 108.935 108.800 -0.025 0.000 2.381 137 G HA2 0.154 4.114 3.960 -0.000 0.000 0.672 137 G HA3 0.154 4.114 3.960 -0.000 0.000 0.672 137 G C -1.802 173.027 174.900 -0.119 0.000 1.324 137 G CA -1.082 43.974 45.100 -0.073 0.000 0.975 137 G HN 0.105 nan 8.290 nan 0.000 0.593 138 L N 0.247 121.352 121.223 -0.197 0.000 2.334 138 L HA 0.808 5.148 4.340 -0.000 0.000 0.273 138 L C 0.315 176.973 176.870 -0.352 0.000 1.013 138 L CA -0.860 53.814 54.840 -0.277 0.000 0.816 138 L CB 1.786 43.707 42.059 -0.230 0.000 1.278 138 L HN 0.696 nan 8.230 nan 0.000 0.431 139 K N 2.869 123.106 120.400 -0.272 0.000 2.450 139 K HA 0.387 4.707 4.320 -0.000 0.000 0.257 139 K C -1.597 174.991 176.600 -0.020 0.000 0.953 139 K CA -0.409 55.739 56.287 -0.231 0.000 0.844 139 K CB 0.831 33.205 32.500 -0.210 0.000 1.103 139 K HN 0.506 nan 8.250 nan 0.000 0.429 140 Y N 3.845 124.116 120.300 -0.049 0.000 2.454 140 Y HA 0.226 4.776 4.550 -0.000 0.000 0.345 140 Y C 0.218 176.094 175.900 -0.039 0.000 0.970 140 Y CA -1.051 57.062 58.100 0.022 0.000 1.204 140 Y CB 0.996 39.512 38.460 0.094 0.000 1.122 140 Y HN 0.226 nan 8.280 nan 0.000 0.514 141 K N 3.216 123.639 120.400 0.038 0.000 2.098 141 K HA 0.307 4.627 4.320 -0.000 0.000 0.261 141 K C -0.252 176.376 176.600 0.048 0.000 0.987 141 K CA -1.107 55.110 56.287 -0.116 0.000 0.916 141 K CB 1.142 33.298 32.500 -0.574 0.000 1.039 141 K HN 0.366 nan 8.250 nan 0.000 0.455 142 K N 1.577 121.973 120.400 -0.007 0.000 2.276 142 K HA 0.300 4.619 4.320 -0.000 0.000 0.283 142 K C 0.337 176.899 176.600 -0.064 0.000 1.044 142 K CA 0.365 56.651 56.287 -0.002 0.000 0.944 142 K CB 1.097 33.555 32.500 -0.070 0.000 1.012 142 K HN 0.901 nan 8.250 nan 0.000 0.472 143 G N 0.977 109.824 108.800 0.078 0.000 2.483 143 G HA2 0.186 4.145 3.960 -0.000 0.000 0.521 143 G HA3 0.186 4.145 3.960 -0.000 0.000 0.521 143 G C -0.331 174.684 174.900 0.192 0.000 1.278 143 G CA -0.548 44.625 45.100 0.122 0.000 0.965 143 G HN 0.933 nan 8.290 nan 0.000 0.504 144 G N -3.307 105.540 108.800 0.078 0.000 2.325 144 G HA2 0.590 4.550 3.960 -0.000 0.000 0.295 144 G HA3 0.590 4.550 3.960 -0.000 0.000 0.295 144 G C 0.757 175.595 174.900 -0.104 0.000 1.274 144 G CA 0.694 45.738 45.100 -0.094 0.000 0.857 144 G HN 1.687 nan 8.290 nan 0.000 0.499 145 V N 1.157 121.023 119.914 -0.081 0.000 2.332 145 V HA -0.117 4.003 4.120 -0.000 0.000 0.248 145 V C 3.361 179.433 176.094 -0.038 0.000 1.055 145 V CA 3.357 65.618 62.300 -0.064 0.000 1.038 145 V CB -1.139 30.674 31.823 -0.017 0.000 0.651 145 V HN 1.164 nan 8.190 nan 0.000 0.450 146 A N -0.584 122.236 122.820 0.000 0.000 2.024 146 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 146 A C 2.319 179.899 177.584 -0.007 0.000 1.164 146 A CA 2.170 54.210 52.037 0.005 0.000 0.643 146 A CB -0.466 18.550 19.000 0.027 0.000 0.806 146 A HN 0.527 nan 8.150 nan 0.000 0.451 147 S N -1.922 113.787 115.700 0.014 0.000 2.575 147 S HA 0.370 4.840 4.470 -0.000 0.000 0.215 147 S C 1.356 175.796 174.600 -0.267 0.000 0.966 147 S CA 0.727 58.922 58.200 -0.009 0.000 0.911 147 S CB 0.191 63.547 63.200 0.261 0.000 0.780 147 S HN 1.598 nan 8.310 nan 0.000 0.514 148 G N 1.078 109.737 108.800 -0.235 0.000 2.143 148 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.249 148 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.249 148 G C 0.004 174.634 174.900 -0.451 0.000 0.981 148 G CA -0.287 44.617 45.100 -0.326 0.000 0.665 148 G HN 0.449 nan 8.290 nan 0.000 0.528 149 F N 0.585 120.395 119.950 -0.234 0.000 2.380 149 F HA 0.689 5.216 4.527 -0.000 0.000 0.325 149 F C 1.064 176.619 175.800 -0.408 0.000 1.136 149 F CA 0.076 57.884 58.000 -0.320 0.000 1.171 149 F CB 1.019 39.728 39.000 -0.485 0.000 1.230 149 F HN -0.051 nan 8.300 nan 0.000 0.554 150 K N 0.193 120.595 120.400 0.003 0.000 2.509 150 K HA 0.312 4.632 4.320 -0.000 0.000 0.266 150 K C 0.089 176.833 176.600 0.241 0.000 0.987 150 K CA -0.891 55.423 56.287 0.045 0.000 0.868 150 K CB 2.073 34.621 32.500 0.080 0.000 1.421 150 K HN 0.556 nan 8.250 nan 0.000 0.444 151 H N -0.146 119.140 119.070 0.359 0.000 2.320 151 H HA 0.048 4.604 4.556 -0.000 0.000 0.309 151 H C 0.360 175.791 175.328 0.172 0.000 1.057 151 H CA 0.902 57.133 56.048 0.305 0.000 1.374 151 H CB 0.383 30.294 29.762 0.248 0.000 1.421 151 H HN 0.094 nan 8.280 nan 0.000 0.532 152 V N 3.684 123.759 119.914 0.268 0.000 2.484 152 V HA -0.052 4.068 4.120 -0.000 0.000 0.276 152 V C 0.208 176.378 176.094 0.126 0.000 0.976 152 V CA 0.383 62.775 62.300 0.154 0.000 1.141 152 V CB -0.597 31.297 31.823 0.118 0.000 0.975 152 V HN 0.009 nan 8.190 nan 0.000 0.466 153 V N 7.140 127.119 119.914 0.109 0.000 2.487 153 V HA 0.396 4.516 4.120 -0.000 0.000 0.298 153 V C -1.602 174.528 176.094 0.060 0.000 1.028 153 V CA -1.628 60.727 62.300 0.091 0.000 0.860 153 V CB 1.626 33.511 31.823 0.104 0.000 0.991 153 V HN 0.725 nan 8.190 nan 0.000 0.427 154 P HA 0.093 nan 4.420 nan 0.000 0.271 154 P C 0.867 178.184 177.300 0.029 0.000 1.228 154 P CA 0.164 63.284 63.100 0.035 0.000 0.797 154 P CB 0.549 32.267 31.700 0.031 0.000 0.914 155 N N 0.018 118.730 118.700 0.020 0.000 2.048 155 N HA -0.101 4.639 4.740 -0.000 0.000 0.193 155 N C -0.123 175.398 175.510 0.018 0.000 1.061 155 N CA 0.619 53.678 53.050 0.015 0.000 0.849 155 N CB -0.175 38.317 38.487 0.009 0.000 1.044 155 N HN 0.547 nan 8.380 nan 0.000 0.429 156 E N 1.726 121.937 120.200 0.017 0.000 2.168 156 E HA 0.097 4.447 4.350 -0.000 0.000 0.254 156 E C -1.056 175.559 176.600 0.025 0.000 1.228 156 E CA -0.089 56.322 56.400 0.018 0.000 0.956 156 E CB 0.454 30.163 29.700 0.016 0.000 1.031 156 E HN 0.051 nan 8.360 nan 0.000 0.441 157 V N 2.909 122.839 119.914 0.028 0.000 2.962 157 V HA 0.275 4.395 4.120 -0.000 0.000 0.313 157 V C -0.137 175.979 176.094 0.037 0.000 1.099 157 V CA -1.018 61.304 62.300 0.037 0.000 0.971 157 V CB 2.377 34.227 31.823 0.045 0.000 1.028 157 V HN 0.233 nan 8.190 nan 0.000 0.430 158 V N 4.100 124.039 119.914 0.042 0.000 2.311 158 V HA 0.492 4.612 4.120 -0.000 0.000 0.275 158 V C -0.055 176.069 176.094 0.050 0.000 1.022 158 V CA -0.421 61.904 62.300 0.042 0.000 0.830 158 V CB 1.346 33.193 31.823 0.039 0.000 1.012 158 V HN 0.722 nan 8.190 nan 0.000 0.452 159 V N 3.213 123.155 119.914 0.047 0.000 2.769 159 V HA 0.789 4.909 4.120 -0.000 0.000 0.312 159 V C -0.616 175.505 176.094 0.045 0.000 1.058 159 V CA -0.425 61.904 62.300 0.048 0.000 0.952 159 V CB 1.853 33.701 31.823 0.041 0.000 1.019 159 V HN 0.926 nan 8.190 nan 0.000 0.445 160 Q N 3.943 123.768 119.800 0.041 0.000 3.025 160 Q HA 0.461 4.801 4.340 -0.000 0.000 0.216 160 Q C -1.017 174.996 176.000 0.022 0.000 0.828 160 Q CA -0.557 55.265 55.803 0.032 0.000 0.806 160 Q CB 1.262 30.016 28.738 0.026 0.000 1.423 160 Q HN 1.089 nan 8.270 nan 0.000 0.455 161 R N 1.938 122.450 120.500 0.020 0.000 2.817 161 R HA 0.715 5.055 4.340 -0.000 0.000 0.268 161 R C -1.600 174.703 176.300 0.006 0.000 1.027 161 R CA -1.007 55.096 56.100 0.006 0.000 0.928 161 R CB 1.600 31.898 30.300 -0.004 0.000 1.228 161 R HN 0.310 nan 8.270 nan 0.000 0.469 162 L N 2.214 123.433 121.223 -0.005 0.000 2.385 162 L HA 0.561 4.900 4.340 -0.000 0.000 0.273 162 L C -1.466 175.400 176.870 -0.006 0.000 0.990 162 L CA -1.135 53.702 54.840 -0.004 0.000 0.821 162 L CB 2.036 44.075 42.059 -0.034 0.000 1.279 162 L HN 0.587 nan 8.230 nan 0.000 0.412 163 L N 4.035 125.256 121.223 -0.003 0.000 2.356 163 L HA 0.457 4.797 4.340 -0.000 0.000 0.277 163 L C -0.451 176.352 176.870 -0.111 0.000 0.996 163 L CA -0.360 54.450 54.840 -0.051 0.000 0.822 163 L CB 2.097 44.117 42.059 -0.065 0.000 1.256 163 L HN 0.561 nan 8.230 nan 0.000 0.413 164 Q N 2.820 122.501 119.800 -0.198 0.000 2.314 164 Q HA 0.500 4.840 4.340 -0.000 0.000 0.259 164 Q C -1.408 174.354 176.000 -0.396 0.000 0.951 164 Q CA -0.446 55.057 55.803 -0.500 0.000 0.909 164 Q CB 2.308 30.812 28.738 -0.391 0.000 1.236 164 Q HN 0.507 nan 8.270 nan 0.000 0.444 165 V N 4.921 124.566 119.914 -0.448 0.000 2.398 165 V HA 0.576 4.696 4.120 -0.000 0.000 0.286 165 V C -1.330 174.606 176.094 -0.264 0.000 1.026 165 V CA -0.231 61.894 62.300 -0.291 0.000 0.868 165 V CB 1.428 33.122 31.823 -0.215 0.000 0.982 165 V HN 0.826 nan 8.190 nan 0.000 0.443 166 K N 4.573 124.853 120.400 -0.199 0.000 2.443 166 K HA 0.903 5.222 4.320 -0.000 0.000 0.251 166 K C -0.349 176.186 176.600 -0.109 0.000 0.972 166 K CA -0.396 55.809 56.287 -0.138 0.000 0.833 166 K CB 2.212 34.643 32.500 -0.114 0.000 1.317 166 K HN 1.337 nan 8.250 nan 0.000 0.441 167 G N 0.862 109.623 108.800 -0.065 0.000 2.697 167 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.684 167 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.684 167 G C -0.576 174.314 174.900 -0.017 0.000 1.274 167 G CA -0.599 44.475 45.100 -0.042 0.000 0.806 167 G HN 0.639 nan 8.290 nan 0.000 0.644 168 R N 0.211 120.740 120.500 0.047 0.000 2.167 168 R HA 0.211 4.551 4.340 -0.000 0.000 0.195 168 R C 2.651 179.061 176.300 0.183 0.000 1.027 168 R CA 0.643 56.834 56.100 0.152 0.000 1.114 168 R CB -0.028 30.412 30.300 0.232 0.000 1.075 168 R HN 0.540 nan 8.270 nan 0.000 0.538 169 R N -0.054 120.521 120.500 0.125 0.000 2.055 169 R HA 0.134 4.474 4.340 -0.000 0.000 0.221 169 R C 0.718 177.043 176.300 0.042 0.000 1.154 169 R CA 0.579 56.742 56.100 0.105 0.000 0.975 169 R CB -0.561 29.782 30.300 0.073 0.000 0.869 169 R HN 0.085 nan 8.270 nan 0.000 0.437 170 V N 3.026 122.949 119.914 0.015 0.000 2.357 170 V HA 0.326 4.446 4.120 -0.000 0.000 0.284 170 V C -0.632 175.436 176.094 -0.043 0.000 1.018 170 V CA -0.725 61.569 62.300 -0.010 0.000 0.841 170 V CB 1.654 33.477 31.823 0.001 0.000 0.991 170 V HN -0.062 nan 8.190 nan 0.000 0.437 171 V N 8.471 128.342 119.914 -0.070 0.000 2.406 171 V HA 0.549 4.669 4.120 -0.000 0.000 0.272 171 V C 0.342 176.336 176.094 -0.167 0.000 1.043 171 V CA -0.418 61.813 62.300 -0.115 0.000 0.915 171 V CB 1.216 32.962 31.823 -0.127 0.000 0.988 171 V HN 0.872 nan 8.190 nan 0.000 0.466 172 R N 3.566 123.939 120.500 -0.211 0.000 2.393 172 R HA 0.743 5.083 4.340 -0.000 0.000 0.315 172 R C -0.534 175.567 176.300 -0.332 0.000 0.952 172 R CA -0.440 55.449 56.100 -0.353 0.000 0.842 172 R CB 2.031 32.102 30.300 -0.382 0.000 1.163 172 R HN 0.765 nan 8.270 nan 0.000 0.450 173 A N 2.485 125.092 122.820 -0.357 0.000 2.271 173 A HA 0.479 4.798 4.320 -0.000 0.000 0.317 173 A C -0.398 177.033 177.584 -0.254 0.000 1.245 173 A CA -0.478 51.400 52.037 -0.264 0.000 0.857 173 A CB 1.136 20.012 19.000 -0.207 0.000 1.175 173 A HN 0.563 nan 8.150 nan 0.000 0.512 174 T N 2.627 117.082 114.554 -0.166 0.000 2.794 174 T HA 0.307 4.657 4.350 -0.000 0.000 0.280 174 T C -0.171 174.514 174.700 -0.025 0.000 0.987 174 T CA -0.335 61.740 62.100 -0.041 0.000 0.993 174 T CB 0.984 69.876 68.868 0.039 0.000 0.939 174 T HN 0.703 nan 8.240 nan 0.000 0.449 175 E N 2.102 122.305 120.200 0.005 0.000 2.324 175 E HA 0.360 4.710 4.350 -0.000 0.000 0.271 175 E C 0.115 176.725 176.600 0.016 0.000 1.028 175 E CA -0.381 56.015 56.400 -0.007 0.000 0.890 175 E CB 0.668 30.354 29.700 -0.022 0.000 1.004 175 E HN 0.458 nan 8.360 nan 0.000 0.431 176 V N 0.755 120.676 119.914 0.012 0.000 3.126 176 V HA 0.596 4.716 4.120 -0.000 0.000 0.314 176 V C -2.599 173.504 176.094 0.015 0.000 1.138 176 V CA -2.846 59.471 62.300 0.027 0.000 1.034 176 V CB 1.244 33.096 31.823 0.048 0.000 1.075 176 V HN 0.447 nan 8.190 nan 0.000 0.442 177 P HA 0.188 nan 4.420 nan 0.000 0.268 177 P C -0.481 176.814 177.300 -0.008 0.000 1.208 177 P CA -0.066 63.042 63.100 0.013 0.000 0.777 177 P CB 0.424 32.138 31.700 0.024 0.000 0.875 178 V N 2.303 122.204 119.914 -0.021 0.000 2.276 178 V HA 0.340 4.460 4.120 -0.000 0.000 0.249 178 V C 0.420 176.464 176.094 -0.083 0.000 1.160 178 V CA 0.643 62.909 62.300 -0.056 0.000 1.042 178 V CB -0.697 31.093 31.823 -0.054 0.000 1.224 178 V HN 0.625 nan 8.190 nan 0.000 0.496 179 S N 2.685 118.337 115.700 -0.081 0.000 2.543 179 S HA 0.350 4.820 4.470 -0.000 0.000 0.274 179 S C -0.148 174.422 174.600 -0.049 0.000 1.149 179 S CA -0.682 57.464 58.200 -0.090 0.000 0.866 179 S CB 0.945 64.144 63.200 -0.003 0.000 1.111 179 S HN 0.518 nan 8.310 nan 0.000 0.457 180 W N 1.729 122.980 121.300 -0.082 0.000 2.421 180 W HA 0.003 4.663 4.660 -0.000 0.000 0.270 180 W C 2.048 178.551 176.519 -0.027 0.000 1.233 180 W CA 0.527 57.748 57.345 -0.206 0.000 1.226 180 W CB 0.173 29.446 29.460 -0.313 0.000 1.121 180 W HN 0.726 nan 8.180 nan 0.000 0.579 181 E N -0.299 120.023 120.200 0.203 0.000 2.333 181 E HA -0.137 4.212 4.350 -0.000 0.000 0.198 181 E C 1.836 178.524 176.600 0.146 0.000 1.007 181 E CA 1.137 57.625 56.400 0.147 0.000 0.845 181 E CB -0.295 29.464 29.700 0.097 0.000 0.766 181 E HN 0.224 nan 8.360 nan 0.000 0.507 182 S N -0.233 115.560 115.700 0.154 0.000 2.503 182 S HA 0.108 4.577 4.470 -0.000 0.000 0.217 182 S C 0.652 175.258 174.600 0.010 0.000 0.999 182 S CA -0.098 58.157 58.200 0.091 0.000 0.914 182 S CB 0.070 63.280 63.200 0.018 0.000 0.782 182 S HN 0.087 nan 8.310 nan 0.000 0.520 183 F N 3.037 122.806 119.950 -0.301 0.000 2.375 183 F HA 0.408 4.935 4.527 -0.000 0.000 0.313 183 F C 0.737 176.524 175.800 -0.022 0.000 1.176 183 F CA -0.649 57.013 58.000 -0.564 0.000 1.142 183 F CB 0.598 39.230 39.000 -0.613 0.000 1.275 183 F HN 0.187 nan 8.300 nan 0.000 0.544 184 N N -1.468 117.466 118.700 0.390 0.000 2.823 184 N HA 0.183 4.923 4.740 -0.000 0.000 0.251 184 N C -1.148 174.688 175.510 0.543 0.000 1.392 184 N CA -1.002 52.291 53.050 0.405 0.000 0.864 184 N CB 0.403 39.106 38.487 0.360 0.000 1.481 184 N HN 0.365 nan 8.380 nan 0.000 0.508 185 N N -1.810 117.126 118.700 0.393 0.000 2.370 185 N HA 0.213 4.953 4.740 -0.000 0.000 0.198 185 N C 0.793 176.466 175.510 0.272 0.000 1.156 185 N CA 0.338 53.608 53.050 0.367 0.000 0.839 185 N CB 0.264 38.887 38.487 0.228 0.000 0.989 185 N HN 0.727 nan 8.380 nan 0.000 0.468 186 G N -1.025 107.953 108.800 0.296 0.000 2.724 186 G HA2 0.066 4.025 3.960 -0.000 0.000 0.205 186 G HA3 0.066 4.025 3.960 -0.000 0.000 0.205 186 G C 0.110 175.124 174.900 0.190 0.000 1.112 186 G CA -0.133 45.087 45.100 0.200 0.000 0.793 186 G HN 0.215 nan 8.290 nan 0.000 0.526 187 D N -0.544 120.017 120.400 0.269 0.000 2.529 187 D HA 0.523 5.163 4.640 -0.000 0.000 0.273 187 D C -0.246 176.190 176.300 0.227 0.000 1.197 187 D CA -0.330 53.742 54.000 0.119 0.000 1.070 187 D CB 1.266 42.001 40.800 -0.108 0.000 1.134 187 D HN 0.020 nan 8.370 nan 0.000 0.590 188 c N 0.155 118.757 118.600 0.003 0.000 2.435 188 c HA 0.666 5.236 4.570 -0.000 0.000 0.333 188 c C -0.685 173.376 174.090 -0.049 0.000 1.202 188 c CA -0.610 55.833 56.329 0.191 0.000 1.830 188 c CB -0.017 42.541 42.510 0.080 0.000 2.326 188 c HN 0.341 nan 8.230 nan 0.000 0.507 189 F N 1.415 121.501 119.950 0.226 0.000 2.576 189 F HA 0.685 5.211 4.527 -0.000 0.000 0.313 189 F C -0.042 175.819 175.800 0.102 0.000 1.078 189 F CA -0.915 57.090 58.000 0.007 0.000 0.921 189 F CB 0.980 39.742 39.000 -0.396 0.000 1.232 189 F HN 0.252 nan 8.300 nan 0.000 0.459 190 I N 3.745 124.425 120.570 0.183 0.000 2.382 190 I HA 0.287 4.457 4.170 -0.000 0.000 0.286 190 I C -1.167 175.038 176.117 0.146 0.000 1.002 190 I CA -0.866 60.535 61.300 0.168 0.000 1.135 190 I CB 1.710 39.754 38.000 0.074 0.000 1.288 190 I HN 0.295 nan 8.210 nan 0.000 0.448 191 L N 6.666 128.015 121.223 0.210 0.000 2.282 191 L HA 0.337 4.676 4.340 -0.000 0.000 0.287 191 L C -0.269 176.715 176.870 0.190 0.000 1.075 191 L CA 0.113 55.056 54.840 0.173 0.000 0.839 191 L CB 0.301 42.469 42.059 0.181 0.000 1.219 191 L HN 0.413 nan 8.230 nan 0.000 0.434 192 D N 4.454 124.918 120.400 0.107 0.000 2.393 192 D HA 0.152 4.792 4.640 -0.000 0.000 0.232 192 D C 0.174 176.527 176.300 0.087 0.000 1.192 192 D CA -0.152 53.896 54.000 0.079 0.000 0.882 192 D CB 0.809 41.630 40.800 0.033 0.000 1.038 192 D HN 0.378 nan 8.370 nan 0.000 0.499 193 L N 3.148 124.444 121.223 0.122 0.000 2.872 193 L HA 0.393 4.733 4.340 -0.000 0.000 0.245 193 L C 1.524 178.442 176.870 0.080 0.000 1.211 193 L CA 0.367 55.277 54.840 0.117 0.000 1.013 193 L CB -0.081 42.098 42.059 0.201 0.000 1.326 193 L HN 0.754 nan 8.230 nan 0.000 0.525 194 G N 0.444 109.274 108.800 0.050 0.000 3.298 194 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.260 194 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.260 194 G C 1.092 176.001 174.900 0.014 0.000 1.681 194 G CA 0.284 45.403 45.100 0.031 0.000 1.094 194 G HN 0.316 nan 8.290 nan 0.000 0.575 195 N N 1.749 120.460 118.700 0.018 0.000 2.396 195 N HA 0.041 4.781 4.740 -0.000 0.000 0.180 195 N C 0.119 175.613 175.510 -0.027 0.000 1.028 195 N CA 0.612 53.662 53.050 0.001 0.000 0.893 195 N CB -0.012 38.483 38.487 0.013 0.000 0.967 195 N HN 0.336 nan 8.380 nan 0.000 0.440 196 N N 0.667 119.350 118.700 -0.028 0.000 2.296 196 N HA 0.361 5.100 4.740 -0.000 0.000 0.294 196 N C -1.298 174.089 175.510 -0.205 0.000 1.033 196 N CA -0.308 52.650 53.050 -0.155 0.000 0.839 196 N CB 2.368 40.782 38.487 -0.121 0.000 1.395 196 N HN -0.055 nan 8.380 nan 0.000 0.479 197 I N 2.607 122.986 120.570 -0.317 0.000 2.389 197 I HA 0.299 4.468 4.170 -0.000 0.000 0.288 197 I C -1.022 174.921 176.117 -0.290 0.000 0.999 197 I CA -0.703 60.489 61.300 -0.180 0.000 1.129 197 I CB 0.916 38.864 38.000 -0.087 0.000 1.288 197 I HN 0.324 nan 8.210 nan 0.000 0.444 198 Y N 4.817 125.211 120.300 0.156 0.000 2.342 198 Y HA 0.347 4.897 4.550 -0.000 0.000 0.338 198 Y C 0.243 176.314 175.900 0.285 0.000 0.965 198 Y CA -0.512 57.752 58.100 0.273 0.000 1.159 198 Y CB 1.223 39.858 38.460 0.293 0.000 1.157 198 Y HN 0.480 nan 8.280 nan 0.000 0.486 199 Q N 4.558 124.584 119.800 0.378 0.000 2.368 199 Q HA 0.205 4.545 4.340 -0.000 0.000 0.256 199 Q C -1.564 174.727 176.000 0.484 0.000 0.980 199 Q CA -0.686 55.316 55.803 0.331 0.000 0.887 199 Q CB 0.784 29.609 28.738 0.146 0.000 1.221 199 Q HN 0.827 nan 8.270 nan 0.000 0.458 200 W N 5.220 126.730 121.300 0.350 0.000 2.478 200 W HA 0.519 5.179 4.660 -0.000 0.000 0.318 200 W C -1.432 175.305 176.519 0.364 0.000 1.062 200 W CA -0.427 57.159 57.345 0.402 0.000 1.210 200 W CB 1.001 30.753 29.460 0.487 0.000 1.325 200 W HN 0.603 nan 8.180 nan 0.000 0.496 201 c N 5.583 124.123 118.600 -0.100 0.000 2.369 201 c HA 0.674 5.244 4.570 -0.000 0.000 0.322 201 c C 1.116 174.784 174.090 -0.703 0.000 1.258 201 c CA -0.602 55.629 56.329 -0.163 0.000 1.487 201 c CB 0.468 42.935 42.510 -0.071 0.000 2.165 201 c HN 0.906 nan 8.230 nan 0.000 0.483 202 G N 2.053 110.601 108.800 -0.421 0.000 2.690 202 G HA2 0.261 4.220 3.960 -0.000 0.000 0.239 202 G HA3 0.261 4.220 3.960 -0.000 0.000 0.239 202 G C 1.080 175.855 174.900 -0.208 0.000 1.233 202 G CA 0.514 45.405 45.100 -0.349 0.000 0.847 202 G HN 1.020 nan 8.290 nan 0.000 0.588 203 S N -0.243 115.392 115.700 -0.109 0.000 2.402 203 S HA -0.067 4.403 4.470 -0.000 0.000 0.229 203 S C 1.526 176.123 174.600 -0.005 0.000 1.021 203 S CA 1.127 59.294 58.200 -0.054 0.000 0.974 203 S CB -0.014 63.181 63.200 -0.008 0.000 0.800 203 S HN 0.562 nan 8.310 nan 0.000 0.484 204 K N 2.533 122.953 120.400 0.034 0.000 2.596 204 K HA 0.187 4.507 4.320 -0.000 0.000 0.211 204 K C 0.117 176.750 176.600 0.055 0.000 1.046 204 K CA -0.012 56.305 56.287 0.051 0.000 1.202 204 K CB 0.239 32.783 32.500 0.073 0.000 0.925 204 K HN 0.569 nan 8.250 nan 0.000 0.486 205 S N 0.088 115.810 115.700 0.036 0.000 2.586 205 S HA 0.237 4.706 4.470 -0.000 0.000 0.274 205 S C 0.069 174.696 174.600 0.045 0.000 1.281 205 S CA -0.960 57.267 58.200 0.043 0.000 1.035 205 S CB 1.311 64.525 63.200 0.024 0.000 0.962 205 S HN 0.069 nan 8.310 nan 0.000 0.512 206 N N 0.847 119.588 118.700 0.068 0.000 2.530 206 N HA 0.214 4.954 4.740 -0.000 0.000 0.277 206 N C 1.132 176.701 175.510 0.098 0.000 1.168 206 N CA -0.406 52.700 53.050 0.093 0.000 0.979 206 N CB 0.777 39.346 38.487 0.136 0.000 1.141 206 N HN 0.650 nan 8.380 nan 0.000 0.459 207 R N 1.104 121.670 120.500 0.110 0.000 2.152 207 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 207 R C 1.442 177.837 176.300 0.157 0.000 1.117 207 R CA 1.059 57.222 56.100 0.106 0.000 0.981 207 R CB -0.192 30.171 30.300 0.105 0.000 0.870 207 R HN 0.528 nan 8.270 nan 0.000 0.451 208 F N 1.928 121.906 119.950 0.046 0.000 2.163 208 F HA -0.098 4.429 4.527 -0.000 0.000 0.297 208 F C 1.917 177.737 175.800 0.034 0.000 1.094 208 F CA 1.395 59.427 58.000 0.055 0.000 1.290 208 F CB -0.027 39.017 39.000 0.073 0.000 1.017 208 F HN -0.147 nan 8.300 nan 0.000 0.483 209 E N 0.108 120.308 120.200 -0.001 0.000 2.077 209 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 209 E C 2.306 178.833 176.600 -0.121 0.000 0.989 209 E CA 1.327 57.667 56.400 -0.101 0.000 0.800 209 E CB -0.158 29.539 29.700 -0.005 0.000 0.746 209 E HN 0.325 nan 8.360 nan 0.000 0.452 210 R N -0.161 120.304 120.500 -0.058 0.000 2.091 210 R HA -0.144 4.195 4.340 -0.000 0.000 0.238 210 R C 2.336 178.584 176.300 -0.087 0.000 1.136 210 R CA 1.162 57.231 56.100 -0.051 0.000 0.959 210 R CB -0.518 29.769 30.300 -0.023 0.000 0.856 210 R HN 0.157 nan 8.270 nan 0.000 0.437 211 L N 1.559 122.714 121.223 -0.114 0.000 2.042 211 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 211 L C 1.823 178.575 176.870 -0.196 0.000 1.076 211 L CA 1.907 56.665 54.840 -0.136 0.000 0.749 211 L CB -0.247 41.736 42.059 -0.127 0.000 0.893 211 L HN -0.074 nan 8.230 nan 0.000 0.432 212 K N -0.029 120.190 120.400 -0.302 0.000 2.097 212 K HA 0.037 4.357 4.320 -0.000 0.000 0.205 212 K C 2.135 178.633 176.600 -0.171 0.000 1.050 212 K CA 1.320 57.443 56.287 -0.274 0.000 0.938 212 K CB -0.856 31.436 32.500 -0.346 0.000 0.718 212 K HN 0.471 nan 8.250 nan 0.000 0.442 213 A N 0.796 123.532 122.820 -0.140 0.000 1.969 213 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 213 A C 2.235 179.772 177.584 -0.078 0.000 1.169 213 A CA 1.986 53.964 52.037 -0.099 0.000 0.635 213 A CB -0.854 18.108 19.000 -0.064 0.000 0.810 213 A HN 0.303 nan 8.150 nan 0.000 0.445 214 T N 0.060 114.566 114.554 -0.080 0.000 2.881 214 T HA -0.133 4.216 4.350 -0.000 0.000 0.270 214 T C 1.997 176.653 174.700 -0.074 0.000 1.068 214 T CA 1.461 63.520 62.100 -0.069 0.000 1.131 214 T CB -0.189 68.636 68.868 -0.071 0.000 0.871 214 T HN 0.457 nan 8.240 nan 0.000 0.479 215 Q N 0.516 120.264 119.800 -0.087 0.000 2.119 215 Q HA 0.004 4.344 4.340 -0.000 0.000 0.201 215 Q C 2.671 178.623 176.000 -0.080 0.000 0.972 215 Q CA 0.865 56.618 55.803 -0.082 0.000 0.847 215 Q CB -0.695 27.988 28.738 -0.091 0.000 0.903 215 Q HN 0.432 nan 8.270 nan 0.000 0.433 216 V N 0.720 120.581 119.914 -0.087 0.000 2.307 216 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 216 V C 2.356 178.407 176.094 -0.072 0.000 1.045 216 V CA 1.799 64.046 62.300 -0.088 0.000 1.024 216 V CB -0.742 31.020 31.823 -0.101 0.000 0.651 216 V HN 0.249 nan 8.190 nan 0.000 0.449 217 S N -0.358 115.306 115.700 -0.060 0.000 2.353 217 S HA -0.294 4.175 4.470 -0.000 0.000 0.222 217 S C 2.053 176.619 174.600 -0.057 0.000 1.035 217 S CA 2.109 60.279 58.200 -0.049 0.000 1.025 217 S CB -0.376 62.800 63.200 -0.039 0.000 0.902 217 S HN 0.595 nan 8.310 nan 0.000 0.440 218 K N 0.780 121.143 120.400 -0.061 0.000 2.147 218 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 218 K C 2.139 178.702 176.600 -0.061 0.000 1.049 218 K CA 1.191 57.442 56.287 -0.061 0.000 0.936 218 K CB -0.480 31.983 32.500 -0.061 0.000 0.722 218 K HN 0.387 nan 8.250 nan 0.000 0.446 219 G N 1.315 110.076 108.800 -0.064 0.000 2.402 219 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 219 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 219 G C 1.471 176.331 174.900 -0.066 0.000 1.162 219 G CA 0.746 45.806 45.100 -0.067 0.000 0.777 219 G HN 0.240 nan 8.290 nan 0.000 0.539 220 I N 0.126 120.657 120.570 -0.064 0.000 2.226 220 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 220 I C 2.829 178.916 176.117 -0.051 0.000 1.100 220 I CA 1.146 62.411 61.300 -0.058 0.000 1.374 220 I CB -0.246 37.723 38.000 -0.051 0.000 1.057 220 I HN 0.118 nan 8.210 nan 0.000 0.413 221 R N 0.916 121.384 120.500 -0.052 0.000 2.075 221 R HA -0.180 4.160 4.340 -0.000 0.000 0.232 221 R C 1.697 177.968 176.300 -0.048 0.000 1.126 221 R CA 1.924 57.994 56.100 -0.050 0.000 0.963 221 R CB -0.094 30.173 30.300 -0.055 0.000 0.858 221 R HN 0.305 nan 8.270 nan 0.000 0.435 222 D N 0.050 120.419 120.400 -0.052 0.000 2.120 222 D HA -0.064 4.575 4.640 -0.000 0.000 0.202 222 D C 1.459 177.726 176.300 -0.055 0.000 0.972 222 D CA 0.973 54.942 54.000 -0.053 0.000 0.837 222 D CB -0.277 40.490 40.800 -0.055 0.000 0.989 222 D HN 0.251 nan 8.370 nan 0.000 0.469 223 N N 0.614 119.277 118.700 -0.061 0.000 2.376 223 N HA -0.006 4.734 4.740 -0.000 0.000 0.177 223 N C 0.300 175.775 175.510 -0.058 0.000 1.024 223 N CA 0.494 53.504 53.050 -0.068 0.000 0.893 223 N CB 0.509 38.949 38.487 -0.079 0.000 0.980 223 N HN 0.352 nan 8.380 nan 0.000 0.439 224 E N 0.160 120.331 120.200 -0.049 0.000 2.221 224 E HA 0.384 4.733 4.350 -0.000 0.000 0.268 224 E C 0.129 176.711 176.600 -0.031 0.000 0.933 224 E CA -0.690 55.689 56.400 -0.035 0.000 0.809 224 E CB 1.496 31.177 29.700 -0.033 0.000 1.190 224 E HN -0.103 nan 8.360 nan 0.000 0.406 225 R N -0.009 120.479 120.500 -0.021 0.000 3.862 225 R HA -0.189 4.151 4.340 -0.000 0.000 0.470 225 R C -0.082 176.204 176.300 -0.023 0.000 0.879 225 R CA 1.021 57.109 56.100 -0.019 0.000 1.508 225 R CB -2.650 27.636 30.300 -0.023 0.000 2.170 225 R HN 0.738 nan 8.270 nan 0.000 0.496 226 S N -1.000 114.682 115.700 -0.030 0.000 3.631 226 S HA -0.120 4.350 4.470 -0.000 0.000 0.366 226 S C 1.212 175.793 174.600 -0.032 0.000 0.993 226 S CA 1.831 60.011 58.200 -0.032 0.000 1.167 226 S CB -1.710 61.474 63.200 -0.026 0.000 0.909 226 S HN 1.573 nan 8.310 nan 0.000 0.478 227 G N 0.786 109.564 108.800 -0.036 0.000 2.220 227 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.269 227 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.269 227 G C 0.136 175.017 174.900 -0.033 0.000 0.977 227 G CA 0.600 45.678 45.100 -0.036 0.000 0.634 227 G HN 0.733 nan 8.290 nan 0.000 0.539 228 R N 0.777 121.260 120.500 -0.028 0.000 4.138 228 R HA 0.591 4.931 4.340 -0.000 0.000 0.206 228 R C 0.402 176.687 176.300 -0.025 0.000 1.667 228 R CA 0.668 56.754 56.100 -0.023 0.000 1.481 228 R CB 0.089 30.379 30.300 -0.017 0.000 1.388 228 R HN 0.749 nan 8.270 nan 0.000 0.776 229 A N 0.889 123.689 122.820 -0.034 0.000 2.608 229 A HA 0.375 4.695 4.320 -0.000 0.000 0.292 229 A C -1.673 175.877 177.584 -0.057 0.000 1.066 229 A CA -0.806 51.206 52.037 -0.042 0.000 0.676 229 A CB 1.804 20.778 19.000 -0.044 0.000 1.277 229 A HN 0.302 nan 8.150 nan 0.000 0.413 230 Q N 0.151 119.905 119.800 -0.076 0.000 2.282 230 Q HA 0.614 4.953 4.340 -0.000 0.000 0.260 230 Q C -1.225 174.681 176.000 -0.155 0.000 0.964 230 Q CA -0.433 55.311 55.803 -0.099 0.000 0.880 230 Q CB 1.841 30.526 28.738 -0.088 0.000 1.286 230 Q HN 1.737 nan 8.270 nan 0.000 0.445 231 V N 2.602 122.429 119.914 -0.145 0.000 2.531 231 V HA 0.836 4.956 4.120 -0.000 0.000 0.301 231 V C -1.419 174.570 176.094 -0.175 0.000 1.034 231 V CA -0.169 62.031 62.300 -0.167 0.000 0.865 231 V CB 2.086 33.843 31.823 -0.111 0.000 0.995 231 V HN 0.806 nan 8.190 nan 0.000 0.424 232 S N 4.799 120.374 115.700 -0.208 0.000 2.503 232 S HA 0.808 5.277 4.470 -0.000 0.000 0.301 232 S C -0.678 173.705 174.600 -0.362 0.000 1.087 232 S CA -0.608 57.417 58.200 -0.291 0.000 1.042 232 S CB 1.887 64.974 63.200 -0.189 0.000 1.043 232 S HN 0.827 nan 8.310 nan 0.000 0.489 233 V N 3.319 122.903 119.914 -0.550 0.000 2.513 233 V HA 0.669 4.788 4.120 -0.000 0.000 0.299 233 V C -1.164 174.546 176.094 -0.640 0.000 1.035 233 V CA -0.460 61.618 62.300 -0.371 0.000 0.889 233 V CB 0.784 32.494 31.823 -0.189 0.000 0.988 233 V HN 0.800 nan 8.190 nan 0.000 0.440 234 F N 1.276 121.296 119.950 0.117 0.000 2.613 234 F HA 0.612 5.138 4.527 -0.000 0.000 0.314 234 F C 0.188 175.959 175.800 -0.048 0.000 1.075 234 F CA -0.853 57.200 58.000 0.089 0.000 0.945 234 F CB 1.874 40.998 39.000 0.206 0.000 1.310 234 F HN 0.382 nan 8.300 nan 0.000 0.467 235 E N -0.029 120.224 120.200 0.088 0.000 2.235 235 E HA 0.255 4.605 4.350 -0.000 0.000 0.265 235 E C -1.057 175.379 176.600 -0.273 0.000 0.940 235 E CA -1.162 55.123 56.400 -0.192 0.000 0.819 235 E CB 2.107 31.745 29.700 -0.103 0.000 1.206 235 E HN 0.606 nan 8.360 nan 0.000 0.409 236 E N 0.256 120.112 120.200 -0.573 0.000 2.568 236 E HA -0.063 4.286 4.350 -0.000 0.000 0.262 236 E C 0.611 177.227 176.600 0.027 0.000 0.961 236 E CA 1.313 57.589 56.400 -0.206 0.000 0.945 236 E CB 0.044 29.654 29.700 -0.149 0.000 0.924 236 E HN 0.729 nan 8.360 nan 0.000 0.467 237 G N 2.878 111.767 108.800 0.148 0.000 2.284 237 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.216 237 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.216 237 G C 0.517 175.465 174.900 0.080 0.000 1.009 237 G CA 0.131 45.277 45.100 0.077 0.000 0.625 237 G HN 1.001 nan 8.290 nan 0.000 0.501 238 A N 1.269 124.159 122.820 0.116 0.000 2.713 238 A HA 0.575 4.895 4.320 -0.000 0.000 0.296 238 A C 0.704 178.312 177.584 0.039 0.000 1.255 238 A CA 0.605 52.706 52.037 0.106 0.000 0.955 238 A CB -0.125 18.980 19.000 0.175 0.000 1.149 238 A HN 0.586 nan 8.150 nan 0.000 0.538 239 E N 1.808 122.053 120.200 0.075 0.000 2.415 239 E HA 0.180 4.529 4.350 -0.000 0.000 0.263 239 E C -2.467 173.985 176.600 -0.246 0.000 0.995 239 E CA -1.384 54.998 56.400 -0.030 0.000 0.915 239 E CB 0.197 29.989 29.700 0.154 0.000 0.951 239 E HN 0.348 nan 8.360 nan 0.000 0.449 240 P HA 0.027 nan 4.420 nan 0.000 0.275 240 P C 0.520 177.656 177.300 -0.274 0.000 1.266 240 P CA -0.314 62.520 63.100 -0.443 0.000 0.793 240 P CB 1.041 32.351 31.700 -0.651 0.000 1.074 241 E N 0.230 120.320 120.200 -0.183 0.000 2.072 241 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 241 E C 1.947 178.443 176.600 -0.172 0.000 0.985 241 E CA 1.274 57.596 56.400 -0.130 0.000 0.801 241 E CB -0.567 29.093 29.700 -0.067 0.000 0.750 241 E HN 0.468 nan 8.360 nan 0.000 0.452 242 A N 0.978 123.656 122.820 -0.236 0.000 1.940 242 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 242 A C 2.177 179.543 177.584 -0.365 0.000 1.176 242 A CA 1.677 53.547 52.037 -0.278 0.000 0.631 242 A CB -0.534 18.265 19.000 -0.334 0.000 0.814 242 A HN 0.448 nan 8.150 nan 0.000 0.446 243 M N -0.783 118.528 119.600 -0.482 0.000 2.156 243 M HA 0.027 4.507 4.480 -0.000 0.000 0.264 243 M C 1.760 177.906 176.300 -0.256 0.000 1.067 243 M CA 1.333 56.389 55.300 -0.406 0.000 1.131 243 M CB -0.144 32.210 32.600 -0.409 0.000 1.368 243 M HN 0.397 nan 8.290 nan 0.000 0.416 244 L N -0.519 120.607 121.223 -0.162 0.000 2.291 244 L HA -0.172 4.168 4.340 -0.000 0.000 0.214 244 L C 2.437 179.268 176.870 -0.065 0.000 1.120 244 L CA 0.957 55.766 54.840 -0.051 0.000 0.799 244 L CB -0.691 41.353 42.059 -0.026 0.000 0.925 244 L HN 0.486 nan 8.230 nan 0.000 0.446 245 Q N 0.185 119.925 119.800 -0.100 0.000 2.079 245 Q HA -0.183 4.157 4.340 -0.000 0.000 0.200 245 Q C 2.220 178.173 176.000 -0.079 0.000 0.974 245 Q CA 2.021 57.778 55.803 -0.076 0.000 0.840 245 Q CB 0.150 28.844 28.738 -0.074 0.000 0.898 245 Q HN 0.475 nan 8.270 nan 0.000 0.430 246 V N -1.939 117.905 119.914 -0.116 0.000 3.174 246 V HA 0.040 4.160 4.120 -0.000 0.000 0.254 246 V C 1.593 177.597 176.094 -0.150 0.000 1.120 246 V CA 0.773 63.006 62.300 -0.112 0.000 1.114 246 V CB -0.035 31.723 31.823 -0.108 0.000 0.756 246 V HN 0.307 nan 8.190 nan 0.000 0.467 247 L N 1.195 122.287 121.223 -0.218 0.000 2.408 247 L HA 0.629 4.969 4.340 -0.000 0.000 0.215 247 L C 1.382 178.208 176.870 -0.074 0.000 1.081 247 L CA 0.766 55.404 54.840 -0.335 0.000 0.840 247 L CB -0.371 41.160 42.059 -0.880 0.000 1.002 247 L HN 0.649 nan 8.230 nan 0.000 0.468 248 G N 0.537 109.355 108.800 0.030 0.000 2.710 248 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.668 248 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.668 248 G C -2.753 172.275 174.900 0.213 0.000 1.320 248 G CA -0.906 44.254 45.100 0.100 0.000 0.860 248 G HN -0.017 nan 8.290 nan 0.000 0.538 249 P HA 0.199 nan 4.420 nan 0.000 0.266 249 P C -0.272 176.888 177.300 -0.234 0.000 1.195 249 P CA 0.160 63.241 63.100 -0.033 0.000 0.768 249 P CB 0.754 32.414 31.700 -0.067 0.000 0.838 250 K N 4.935 125.017 120.400 -0.530 0.000 2.339 250 K HA 0.206 4.526 4.320 -0.000 0.000 0.286 250 K C -1.550 174.567 176.600 -0.806 0.000 1.050 250 K CA -1.341 54.162 56.287 -1.307 0.000 0.956 250 K CB 0.102 31.815 32.500 -1.311 0.000 0.990 250 K HN 0.402 nan 8.250 nan 0.000 0.475 251 P HA 0.168 nan 4.420 nan 0.000 0.317 251 P C -1.016 176.080 177.300 -0.341 0.000 1.307 251 P CA -0.564 62.298 63.100 -0.396 0.000 0.749 251 P CB 0.386 31.925 31.700 -0.269 0.000 1.377 252 T N -0.585 113.855 114.554 -0.190 0.000 2.749 252 T HA 0.465 4.815 4.350 -0.000 0.000 0.295 252 T C 0.544 175.193 174.700 -0.084 0.000 0.936 252 T CA -0.644 61.383 62.100 -0.122 0.000 1.060 252 T CB -0.192 68.635 68.868 -0.068 0.000 0.904 252 T HN 0.150 nan 8.240 nan 0.000 0.500 253 L N 4.356 125.548 121.223 -0.051 0.000 2.395 253 L HA 0.434 4.774 4.340 -0.000 0.000 0.269 253 L C -1.844 175.073 176.870 0.079 0.000 1.133 253 L CA -2.194 52.666 54.840 0.033 0.000 0.812 253 L CB 0.191 42.315 42.059 0.109 0.000 1.125 253 L HN 0.436 nan 8.230 nan 0.000 0.452 254 P HA 0.201 nan 4.420 nan 0.000 0.277 254 P C -0.719 176.660 177.300 0.132 0.000 1.271 254 P CA -0.677 62.485 63.100 0.103 0.000 0.795 254 P CB 0.583 32.345 31.700 0.102 0.000 1.101 255 E N -0.389 119.878 120.200 0.112 0.000 2.349 255 E HA 0.430 4.780 4.350 -0.000 0.000 0.262 255 E C -0.266 176.413 176.600 0.131 0.000 1.088 255 E CA -0.417 56.053 56.400 0.117 0.000 0.899 255 E CB 0.955 30.708 29.700 0.088 0.000 1.044 255 E HN 0.449 nan 8.360 nan 0.000 0.420 256 A N 1.815 124.718 122.820 0.138 0.000 2.363 256 A HA 0.266 4.586 4.320 -0.000 0.000 0.270 256 A C 0.048 177.692 177.584 0.101 0.000 1.121 256 A CA -0.334 51.785 52.037 0.137 0.000 0.800 256 A CB 0.156 19.242 19.000 0.143 0.000 1.052 256 A HN 0.456 nan 8.150 nan 0.000 0.493 257 T N 1.999 116.609 114.554 0.093 0.000 2.769 257 T HA 0.097 4.447 4.350 -0.000 0.000 0.293 257 T C 1.051 175.790 174.700 0.064 0.000 0.931 257 T CA 0.321 62.465 62.100 0.074 0.000 1.139 257 T CB 0.526 69.437 68.868 0.070 0.000 0.881 257 T HN 0.801 nan 8.240 nan 0.000 0.532 258 E N 2.033 122.268 120.200 0.059 0.000 2.494 258 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 258 E C 0.163 176.791 176.600 0.047 0.000 1.074 258 E CA -0.009 56.423 56.400 0.053 0.000 0.867 258 E CB 0.140 29.871 29.700 0.053 0.000 0.924 258 E HN 0.433 nan 8.360 nan 0.000 0.502 259 D N 0.797 121.226 120.400 0.048 0.000 2.644 259 D HA -0.041 4.598 4.640 -0.000 0.000 0.252 259 D C 0.780 177.104 176.300 0.041 0.000 1.254 259 D CA 0.261 54.290 54.000 0.047 0.000 0.884 259 D CB -0.051 40.780 40.800 0.052 0.000 1.034 259 D HN 0.145 nan 8.370 nan 0.000 0.473 260 T N -0.852 113.722 114.554 0.033 0.000 2.684 260 T HA -0.217 4.132 4.350 -0.000 0.000 0.267 260 T C 1.653 176.359 174.700 0.010 0.000 1.032 260 T CA 1.706 63.816 62.100 0.018 0.000 1.155 260 T CB 0.211 69.091 68.868 0.020 0.000 0.857 260 T HN 0.309 nan 8.240 nan 0.000 0.457 261 V N -2.278 117.654 119.914 0.031 0.000 4.539 261 V HA 0.124 4.244 4.120 -0.000 0.000 0.434 261 V C 0.527 176.658 176.094 0.060 0.000 1.961 261 V CA 1.284 63.612 62.300 0.048 0.000 1.994 261 V CB -0.368 31.473 31.823 0.030 0.000 1.037 261 V HN 0.265 nan 8.190 nan 0.000 0.354 262 K N 1.287 121.716 120.400 0.048 0.000 3.595 262 K HA -0.228 4.092 4.320 -0.000 0.000 0.284 262 K C 0.522 177.147 176.600 0.043 0.000 1.150 262 K CA 1.707 58.021 56.287 0.046 0.000 1.056 262 K CB -1.208 31.323 32.500 0.051 0.000 1.354 262 K HN 0.779 nan 8.250 nan 0.000 0.448 263 E N 0.705 120.934 120.200 0.049 0.000 2.282 263 E HA -0.253 4.097 4.350 -0.000 0.000 0.228 263 E C -0.893 175.730 176.600 0.038 0.000 1.314 263 E CA 1.321 57.748 56.400 0.045 0.000 0.716 263 E CB -1.467 28.252 29.700 0.031 0.000 1.167 263 E HN 0.471 nan 8.360 nan 0.000 0.372 264 D N 0.335 120.762 120.400 0.045 0.000 2.750 264 D HA 0.112 4.752 4.640 -0.000 0.000 0.225 264 D C 0.571 176.897 176.300 0.044 0.000 1.067 264 D CA 0.816 54.842 54.000 0.044 0.000 1.223 264 D CB -0.118 40.710 40.800 0.048 0.000 1.143 264 D HN 0.336 nan 8.370 nan 0.000 0.460 265 A N 0.353 123.197 122.820 0.039 0.000 2.843 265 A HA 0.493 4.813 4.320 -0.000 0.000 0.248 265 A C 1.588 179.199 177.584 0.044 0.000 0.904 265 A CA 0.064 52.126 52.037 0.040 0.000 1.091 265 A CB 0.426 19.444 19.000 0.030 0.000 1.208 265 A HN 0.260 nan 8.150 nan 0.000 0.476 266 A N 0.965 123.817 122.820 0.052 0.000 1.896 266 A HA -0.157 4.162 4.320 -0.000 0.000 0.220 266 A C 0.804 178.458 177.584 0.116 0.000 1.206 266 A CA 1.622 53.706 52.037 0.079 0.000 0.647 266 A CB -0.320 18.752 19.000 0.121 0.000 0.828 266 A HN 0.557 nan 8.150 nan 0.000 0.455 267 N N 0.203 118.963 118.700 0.099 0.000 2.531 267 N HA 0.407 5.146 4.740 -0.000 0.000 0.268 267 N C -1.186 174.379 175.510 0.090 0.000 1.023 267 N CA -0.350 52.755 53.050 0.093 0.000 0.896 267 N CB 1.463 39.997 38.487 0.080 0.000 1.233 267 N HN 0.184 nan 8.380 nan 0.000 0.512 268 R N 1.935 122.499 120.500 0.107 0.000 2.644 268 R HA 0.137 4.476 4.340 -0.000 0.000 0.271 268 R C 0.672 177.136 176.300 0.272 0.000 1.687 268 R CA -0.259 55.935 56.100 0.157 0.000 1.655 268 R CB 0.422 30.778 30.300 0.094 0.000 1.285 268 R HN 0.647 nan 8.270 nan 0.000 0.643 269 K N -0.326 120.196 120.400 0.204 0.000 2.358 269 K HA 0.267 4.587 4.320 -0.000 0.000 0.197 269 K C 0.323 177.036 176.600 0.189 0.000 1.025 269 K CA -0.058 56.340 56.287 0.184 0.000 1.104 269 K CB 0.720 33.288 32.500 0.114 0.000 0.855 269 K HN 0.092 nan 8.250 nan 0.000 0.531 270 L N 1.755 123.109 121.223 0.219 0.000 2.357 270 L HA 0.635 4.975 4.340 -0.000 0.000 0.273 270 L C -0.158 176.851 176.870 0.232 0.000 1.080 270 L CA -0.807 54.140 54.840 0.178 0.000 0.803 270 L CB 1.595 43.752 42.059 0.163 0.000 1.174 270 L HN 0.221 nan 8.230 nan 0.000 0.443 271 A N 2.804 125.717 122.820 0.155 0.000 2.612 271 A HA 0.749 5.069 4.320 -0.000 0.000 0.293 271 A C -1.460 176.329 177.584 0.341 0.000 1.075 271 A CA -0.789 51.371 52.037 0.205 0.000 0.680 271 A CB 1.838 20.821 19.000 -0.029 0.000 1.279 271 A HN 0.665 nan 8.150 nan 0.000 0.411 272 K N -0.327 120.269 120.400 0.326 0.000 2.395 272 K HA 0.722 5.042 4.320 -0.000 0.000 0.247 272 K C -1.733 174.764 176.600 -0.171 0.000 0.973 272 K CA -0.800 55.568 56.287 0.135 0.000 0.828 272 K CB 2.508 35.031 32.500 0.038 0.000 1.272 272 K HN 0.457 nan 8.250 nan 0.000 0.439 273 L N 2.363 123.224 121.223 -0.603 0.000 2.343 273 L HA 0.454 4.794 4.340 -0.000 0.000 0.278 273 L C -1.823 174.875 176.870 -0.288 0.000 0.996 273 L CA -0.289 54.211 54.840 -0.567 0.000 0.831 273 L CB 0.587 41.978 42.059 -1.114 0.000 1.232 273 L HN 0.523 nan 8.230 nan 0.000 0.413 274 Y N 3.184 123.478 120.300 -0.010 0.000 2.487 274 Y HA 0.542 5.092 4.550 -0.000 0.000 0.337 274 Y C 0.045 175.994 175.900 0.081 0.000 1.076 274 Y CA -0.573 57.561 58.100 0.056 0.000 1.115 274 Y CB 1.796 40.301 38.460 0.075 0.000 1.235 274 Y HN 0.474 nan 8.280 nan 0.000 0.468 275 K N 1.369 121.863 120.400 0.156 0.000 2.182 275 K HA 0.644 4.964 4.320 -0.000 0.000 0.262 275 K C -1.779 174.767 176.600 -0.090 0.000 0.957 275 K CA -0.740 55.431 56.287 -0.193 0.000 0.842 275 K CB 1.613 33.969 32.500 -0.239 0.000 1.099 275 K HN 0.525 nan 8.250 nan 0.000 0.438 276 V N 3.816 123.626 119.914 -0.172 0.000 2.357 276 V HA 0.357 4.477 4.120 -0.000 0.000 0.281 276 V C -1.468 174.575 176.094 -0.085 0.000 1.015 276 V CA -0.247 62.012 62.300 -0.068 0.000 0.827 276 V CB 1.442 33.248 31.823 -0.030 0.000 1.018 276 V HN 0.789 nan 8.190 nan 0.000 0.432 277 S N 7.553 123.218 115.700 -0.057 0.000 2.474 277 S HA 0.606 5.076 4.470 -0.000 0.000 0.321 277 S C -0.570 174.017 174.600 -0.022 0.000 1.080 277 S CA -0.712 57.460 58.200 -0.048 0.000 1.106 277 S CB 0.639 63.812 63.200 -0.046 0.000 0.984 277 S HN 0.957 nan 8.310 nan 0.000 0.464 278 N N 1.390 120.079 118.700 -0.019 0.000 2.397 278 N HA 0.234 4.974 4.740 -0.000 0.000 0.291 278 N C 0.705 176.209 175.510 -0.011 0.000 1.065 278 N CA -0.824 52.219 53.050 -0.010 0.000 0.884 278 N CB 1.347 39.831 38.487 -0.004 0.000 1.551 278 N HN 0.494 nan 8.380 nan 0.000 0.487 279 G N 1.111 109.906 108.800 -0.009 0.000 2.432 279 G HA2 0.104 4.063 3.960 -0.000 0.000 0.219 279 G HA3 0.104 4.063 3.960 -0.000 0.000 0.219 279 G C 0.786 175.681 174.900 -0.008 0.000 1.135 279 G CA 1.591 46.686 45.100 -0.008 0.000 0.767 279 G HN 1.015 nan 8.290 nan 0.000 0.550 280 A N -2.575 120.241 122.820 -0.008 0.000 1.920 280 A HA 0.437 4.756 4.320 -0.000 0.000 0.204 280 A C 1.920 179.500 177.584 -0.007 0.000 1.850 280 A CA 1.173 53.205 52.037 -0.008 0.000 1.593 280 A CB -0.842 18.153 19.000 -0.008 0.000 1.470 280 A HN 0.796 nan 8.150 nan 0.000 0.377 281 G N -0.345 108.450 108.800 -0.007 0.000 2.834 281 G HA2 0.400 4.360 3.960 -0.000 0.000 0.198 281 G HA3 0.400 4.360 3.960 -0.000 0.000 0.198 281 G C -2.008 172.889 174.900 -0.005 0.000 1.070 281 G CA 0.295 45.391 45.100 -0.006 0.000 0.771 281 G HN 0.374 nan 8.290 nan 0.000 0.601 282 P HA 0.161 nan 4.420 nan 0.000 0.262 282 P C -0.196 177.103 177.300 -0.001 0.000 1.455 282 P CA 0.130 63.228 63.100 -0.005 0.000 1.217 282 P CB 0.068 31.765 31.700 -0.005 0.000 1.625 283 M N 3.872 123.474 119.600 0.002 0.000 2.292 283 M HA 0.114 4.594 4.480 -0.000 0.000 0.342 283 M C -0.757 175.551 176.300 0.013 0.000 1.538 283 M CA 0.003 55.309 55.300 0.011 0.000 1.163 283 M CB 0.291 32.905 32.600 0.023 0.000 1.823 283 M HN -0.106 nan 8.290 nan 0.000 0.462 284 V N 6.888 126.810 119.914 0.014 0.000 2.318 284 V HA 0.282 4.402 4.120 -0.000 0.000 0.271 284 V C -0.244 175.873 176.094 0.038 0.000 1.030 284 V CA -0.590 61.721 62.300 0.020 0.000 0.844 284 V CB 1.013 32.842 31.823 0.010 0.000 1.015 284 V HN 0.673 nan 8.190 nan 0.000 0.460 285 V N 5.969 125.920 119.914 0.062 0.000 2.472 285 V HA 0.858 4.978 4.120 -0.000 0.000 0.290 285 V C 0.048 176.244 176.094 0.170 0.000 1.037 285 V CA 0.106 62.475 62.300 0.116 0.000 0.908 285 V CB 2.118 34.004 31.823 0.104 0.000 0.985 285 V HN 1.024 nan 8.190 nan 0.000 0.454 286 S N 6.336 122.185 115.700 0.247 0.000 2.614 286 S HA 0.534 5.004 4.470 -0.000 0.000 0.275 286 S C -1.083 173.657 174.600 0.233 0.000 1.161 286 S CA -0.729 57.604 58.200 0.223 0.000 0.969 286 S CB 1.390 64.651 63.200 0.103 0.000 1.059 286 S HN 0.954 nan 8.310 nan 0.000 0.482 287 L N 3.615 124.910 121.223 0.120 0.000 2.490 287 L HA 0.423 4.762 4.340 -0.000 0.000 0.274 287 L C 0.964 177.774 176.870 -0.101 0.000 1.201 287 L CA 0.814 55.538 54.840 -0.192 0.000 0.869 287 L CB 1.210 43.149 42.059 -0.200 0.000 1.123 287 L HN 0.973 nan 8.230 nan 0.000 0.484 288 V N 1.396 121.219 119.914 -0.151 0.000 3.497 288 V HA 0.703 4.823 4.120 -0.000 0.000 0.272 288 V C 0.266 176.294 176.094 -0.111 0.000 1.474 288 V CA 0.467 62.730 62.300 -0.061 0.000 1.025 288 V CB 0.150 32.004 31.823 0.052 0.000 0.820 288 V HN 0.948 nan 8.190 nan 0.000 0.437 289 A N 0.472 123.168 122.820 -0.207 0.000 2.611 289 A HA 0.567 4.887 4.320 -0.000 0.000 0.282 289 A C 0.157 177.683 177.584 -0.096 0.000 1.114 289 A CA 0.360 52.307 52.037 -0.150 0.000 0.800 289 A CB 1.198 20.016 19.000 -0.303 0.000 1.325 289 A HN 0.128 nan 8.150 nan 0.000 0.411 290 D N 1.538 121.925 120.400 -0.023 0.000 2.144 290 D HA -0.083 4.557 4.640 -0.000 0.000 0.199 290 D C 0.583 176.939 176.300 0.093 0.000 0.984 290 D CA 1.890 55.892 54.000 0.004 0.000 0.834 290 D CB 0.475 41.282 40.800 0.011 0.000 0.955 290 D HN 0.724 nan 8.370 nan 0.000 0.465 291 E N -0.985 119.301 120.200 0.144 0.000 2.356 291 E HA 0.253 4.603 4.350 -0.000 0.000 0.275 291 E C -1.179 175.425 176.600 0.007 0.000 0.904 291 E CA -0.888 55.579 56.400 0.112 0.000 0.757 291 E CB 1.189 30.922 29.700 0.054 0.000 1.232 291 E HN 0.223 nan 8.360 nan 0.000 0.442 292 N N 2.110 120.588 118.700 -0.370 0.000 2.493 292 N HA 0.460 5.200 4.740 -0.000 0.000 0.275 292 N C -2.621 172.484 175.510 -0.675 0.000 1.186 292 N CA -1.277 51.159 53.050 -1.023 0.000 0.978 292 N CB 0.911 38.525 38.487 -1.455 0.000 1.184 292 N HN 0.104 nan 8.380 nan 0.000 0.487 293 P HA 0.032 nan 4.420 nan 0.000 0.269 293 P C -1.043 175.934 177.300 -0.538 0.000 1.211 293 P CA 0.277 62.976 63.100 -0.668 0.000 0.781 293 P CB 0.291 31.795 31.700 -0.327 0.000 0.877 294 F N -0.326 119.413 119.950 -0.352 0.000 2.557 294 F HA 0.644 5.170 4.527 -0.000 0.000 0.336 294 F C 0.493 176.258 175.800 -0.058 0.000 1.058 294 F CA -1.445 56.368 58.000 -0.312 0.000 0.988 294 F CB 0.363 38.949 39.000 -0.689 0.000 1.275 294 F HN 0.140 nan 8.300 nan 0.000 0.488 295 A N 0.722 123.685 122.820 0.238 0.000 2.249 295 A HA 0.342 4.662 4.320 -0.000 0.000 0.314 295 A C 0.996 178.671 177.584 0.151 0.000 1.290 295 A CA -0.469 51.661 52.037 0.156 0.000 0.893 295 A CB 0.687 19.718 19.000 0.051 0.000 1.165 295 A HN 0.925 nan 8.150 nan 0.000 0.530 296 Q N 2.871 122.699 119.800 0.047 0.000 2.268 296 Q HA -0.198 4.142 4.340 -0.000 0.000 0.210 296 Q C 1.503 177.247 176.000 -0.426 0.000 0.988 296 Q CA 2.290 57.850 55.803 -0.406 0.000 0.883 296 Q CB -0.261 28.041 28.738 -0.727 0.000 0.911 296 Q HN 0.889 nan 8.270 nan 0.000 0.430 297 G N -0.596 108.059 108.800 -0.242 0.000 2.679 297 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.212 297 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.212 297 G C 1.184 175.970 174.900 -0.190 0.000 1.137 297 G CA 0.429 45.406 45.100 -0.205 0.000 0.787 297 G HN 0.463 nan 8.290 nan 0.000 0.534 298 A N -0.188 122.506 122.820 -0.210 0.000 2.167 298 A HA 0.378 4.698 4.320 -0.000 0.000 0.214 298 A C 0.728 178.007 177.584 -0.509 0.000 1.151 298 A CA 0.179 52.082 52.037 -0.223 0.000 0.735 298 A CB 0.002 18.904 19.000 -0.163 0.000 0.802 298 A HN 0.216 nan 8.150 nan 0.000 0.467 299 L N 1.835 122.642 121.223 -0.695 0.000 2.312 299 L HA 0.244 4.584 4.340 -0.000 0.000 0.287 299 L C 0.347 177.010 176.870 -0.345 0.000 1.091 299 L CA 0.355 54.542 54.840 -1.088 0.000 0.846 299 L CB 0.230 41.394 42.059 -1.492 0.000 1.219 299 L HN 0.202 nan 8.230 nan 0.000 0.439 300 R N 1.954 122.530 120.500 0.127 0.000 2.229 300 R HA 0.245 4.585 4.340 -0.000 0.000 0.328 300 R C 1.053 177.677 176.300 0.540 0.000 1.009 300 R CA -0.350 55.965 56.100 0.357 0.000 0.864 300 R CB 1.151 31.664 30.300 0.355 0.000 1.085 300 R HN 0.526 nan 8.270 nan 0.000 0.453 301 S N 2.260 118.181 115.700 0.368 0.000 2.488 301 S HA -0.145 4.325 4.470 -0.000 0.000 0.246 301 S C 0.968 175.669 174.600 0.168 0.000 0.992 301 S CA 1.349 59.706 58.200 0.262 0.000 0.963 301 S CB -0.029 63.262 63.200 0.151 0.000 0.754 301 S HN 0.556 nan 8.310 nan 0.000 0.519 302 E N 0.908 121.216 120.200 0.180 0.000 2.371 302 E HA 0.089 4.439 4.350 -0.000 0.000 0.194 302 E C 0.283 176.935 176.600 0.086 0.000 1.012 302 E CA 0.506 56.969 56.400 0.104 0.000 0.860 302 E CB 0.168 29.919 29.700 0.085 0.000 0.811 302 E HN 0.500 nan 8.360 nan 0.000 0.502 303 D N -1.380 119.114 120.400 0.157 0.000 2.687 303 D HA 0.338 4.978 4.640 -0.000 0.000 0.264 303 D C -0.624 175.727 176.300 0.085 0.000 1.091 303 D CA -0.678 53.336 54.000 0.023 0.000 1.123 303 D CB 1.325 42.004 40.800 -0.200 0.000 1.407 303 D HN -0.091 nan 8.370 nan 0.000 0.591 304 C N 0.649 119.898 119.300 -0.086 0.000 2.417 304 C HA 0.635 5.094 4.460 -0.000 0.000 0.324 304 C C -0.696 174.251 174.990 -0.071 0.000 1.240 304 C CA -0.592 58.460 59.018 0.056 0.000 1.632 304 C CB -0.382 27.356 27.740 -0.003 0.000 2.241 304 C HN 0.346 nan 8.230 nan 0.000 0.499 305 F N 2.276 122.401 119.950 0.290 0.000 2.579 305 F HA 0.699 5.226 4.527 -0.000 0.000 0.324 305 F C 0.210 176.115 175.800 0.175 0.000 1.058 305 F CA -1.020 57.118 58.000 0.230 0.000 0.944 305 F CB 0.977 40.131 39.000 0.257 0.000 1.245 305 F HN 0.246 nan 8.300 nan 0.000 0.477 306 I N 3.787 124.514 120.570 0.261 0.000 2.420 306 I HA 0.189 4.359 4.170 -0.000 0.000 0.282 306 I C -1.242 174.949 176.117 0.123 0.000 1.019 306 I CA -0.833 60.503 61.300 0.061 0.000 1.130 306 I CB 1.485 39.238 38.000 -0.412 0.000 1.262 306 I HN 0.234 nan 8.210 nan 0.000 0.454 307 L N 6.870 128.228 121.223 0.224 0.000 2.315 307 L HA 0.312 4.652 4.340 -0.000 0.000 0.283 307 L C -0.370 176.608 176.870 0.179 0.000 1.089 307 L CA 0.444 55.361 54.840 0.129 0.000 0.833 307 L CB 0.472 42.609 42.059 0.130 0.000 1.170 307 L HN 0.498 nan 8.230 nan 0.000 0.442 308 D N 4.244 124.759 120.400 0.192 0.000 2.317 308 D HA 0.180 4.820 4.640 -0.000 0.000 0.234 308 D C -0.304 176.180 176.300 0.308 0.000 1.112 308 D CA 0.200 54.390 54.000 0.316 0.000 0.840 308 D CB 0.316 41.465 40.800 0.581 0.000 1.078 308 D HN 0.688 nan 8.370 nan 0.000 0.486 309 H N 2.582 121.740 119.070 0.147 0.000 2.676 309 H HA 0.262 4.818 4.556 -0.000 0.000 0.238 309 H C 1.241 176.584 175.328 0.024 0.000 1.276 309 H CA -0.300 55.828 56.048 0.134 0.000 0.983 309 H CB 0.477 30.380 29.762 0.235 0.000 2.000 309 H HN 0.590 nan 8.280 nan 0.000 0.584 310 G N 1.045 109.802 108.800 -0.071 0.000 2.442 310 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 310 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 310 G C 1.726 176.415 174.900 -0.352 0.000 1.141 310 G CA 0.219 44.965 45.100 -0.590 0.000 0.763 310 G HN 0.229 nan 8.290 nan 0.000 0.554 311 K N 0.517 120.856 120.400 -0.102 0.000 2.089 311 K HA -0.141 4.179 4.320 -0.000 0.000 0.210 311 K C 1.638 178.169 176.600 -0.115 0.000 1.048 311 K CA 1.365 57.634 56.287 -0.029 0.000 0.926 311 K CB -0.375 32.172 32.500 0.078 0.000 0.714 311 K HN 0.278 nan 8.250 nan 0.000 0.448 312 D N -0.596 119.634 120.400 -0.285 0.000 2.325 312 D HA 0.081 4.721 4.640 -0.000 0.000 0.225 312 D C 0.324 176.493 176.300 -0.220 0.000 1.096 312 D CA 0.469 54.274 54.000 -0.325 0.000 0.844 312 D CB -0.063 40.301 40.800 -0.727 0.000 0.925 312 D HN 0.359 nan 8.370 nan 0.000 0.513 313 G N 1.283 109.960 108.800 -0.205 0.000 2.221 313 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.265 313 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.265 313 G C 0.223 175.040 174.900 -0.137 0.000 1.041 313 G CA 0.709 45.711 45.100 -0.163 0.000 0.807 313 G HN 0.471 nan 8.290 nan 0.000 0.502 314 K N -0.153 120.166 120.400 -0.135 0.000 2.527 314 K HA 0.799 5.119 4.320 -0.000 0.000 0.260 314 K C -0.475 176.096 176.600 -0.048 0.000 0.937 314 K CA -0.836 55.389 56.287 -0.103 0.000 0.826 314 K CB 1.484 33.956 32.500 -0.047 0.000 1.359 314 K HN 0.979 nan 8.250 nan 0.000 0.434 315 I N -0.528 119.954 120.570 -0.146 0.000 2.802 315 I HA 0.656 4.826 4.170 -0.000 0.000 0.298 315 I C -1.439 174.600 176.117 -0.131 0.000 1.176 315 I CA -0.969 60.335 61.300 0.007 0.000 1.025 315 I CB 1.908 39.952 38.000 0.074 0.000 1.243 315 I HN 0.455 nan 8.210 nan 0.000 0.424 316 F N 4.454 124.461 119.950 0.096 0.000 2.532 316 F HA 0.706 5.233 4.527 -0.000 0.000 0.321 316 F C 0.020 175.872 175.800 0.087 0.000 1.089 316 F CA -1.327 56.745 58.000 0.120 0.000 0.926 316 F CB 2.251 41.415 39.000 0.274 0.000 1.168 316 F HN 0.444 nan 8.300 nan 0.000 0.459 317 V N 0.493 120.535 119.914 0.214 0.000 2.448 317 V HA 0.519 4.639 4.120 -0.000 0.000 0.295 317 V C -1.612 174.581 176.094 0.166 0.000 1.025 317 V CA -0.809 61.587 62.300 0.161 0.000 0.859 317 V CB 1.288 33.147 31.823 0.060 0.000 0.988 317 V HN 0.848 nan 8.190 nan 0.000 0.431 318 W N 5.809 127.136 121.300 0.046 0.000 2.433 318 W HA 0.656 5.316 4.660 -0.000 0.000 0.315 318 W C -0.129 176.431 176.519 0.068 0.000 1.087 318 W CA -0.634 56.694 57.345 -0.030 0.000 1.205 318 W CB 1.634 31.116 29.460 0.037 0.000 1.288 318 W HN 0.606 nan 8.180 nan 0.000 0.504 319 K N 4.831 124.885 120.400 -0.577 0.000 2.307 319 K HA 0.483 4.803 4.320 -0.000 0.000 0.263 319 K C 0.376 176.440 176.600 -0.893 0.000 0.973 319 K CA -0.872 55.114 56.287 -0.501 0.000 0.846 319 K CB 1.545 33.859 32.500 -0.310 0.000 1.100 319 K HN 0.676 nan 8.250 nan 0.000 0.438 320 G N 1.770 110.213 108.800 -0.595 0.000 2.491 320 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.242 320 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.242 320 G C 0.766 175.495 174.900 -0.285 0.000 1.266 320 G CA -0.457 44.350 45.100 -0.487 0.000 0.844 320 G HN 0.783 nan 8.290 nan 0.000 0.571 321 K N -0.089 120.189 120.400 -0.203 0.000 2.442 321 K HA -0.093 4.227 4.320 -0.000 0.000 0.198 321 K C 1.083 177.646 176.600 -0.061 0.000 1.044 321 K CA 1.267 57.486 56.287 -0.113 0.000 0.948 321 K CB 0.180 32.647 32.500 -0.055 0.000 0.762 321 K HN 0.534 nan 8.250 nan 0.000 0.472 322 Q N 0.593 120.370 119.800 -0.039 0.000 2.129 322 Q HA 0.336 4.676 4.340 -0.000 0.000 0.274 322 Q C -0.781 175.212 176.000 -0.011 0.000 0.854 322 Q CA -0.544 55.251 55.803 -0.013 0.000 1.123 322 Q CB 1.638 30.384 28.738 0.013 0.000 1.226 322 Q HN 0.363 nan 8.270 nan 0.000 0.454 323 A N 1.062 123.861 122.820 -0.036 0.000 2.286 323 A HA 0.257 4.577 4.320 -0.000 0.000 0.286 323 A C -0.153 177.414 177.584 -0.029 0.000 1.097 323 A CA -0.451 51.568 52.037 -0.030 0.000 0.821 323 A CB 0.377 19.345 19.000 -0.053 0.000 1.076 323 A HN 0.487 nan 8.150 nan 0.000 0.490 324 N N 1.321 120.008 118.700 -0.022 0.000 2.454 324 N HA -0.009 4.731 4.740 -0.000 0.000 0.260 324 N C 1.254 176.751 175.510 -0.022 0.000 1.218 324 N CA -0.054 52.985 53.050 -0.018 0.000 0.904 324 N CB 0.277 38.755 38.487 -0.015 0.000 1.065 324 N HN 0.762 nan 8.380 nan 0.000 0.462 325 M N 3.537 123.126 119.600 -0.018 0.000 2.149 325 M HA -0.200 4.280 4.480 -0.000 0.000 0.261 325 M C 0.998 177.289 176.300 -0.015 0.000 1.064 325 M CA 1.811 57.101 55.300 -0.017 0.000 1.102 325 M CB -0.084 32.510 32.600 -0.010 0.000 1.369 325 M HN 0.655 nan 8.290 nan 0.000 0.408 326 E N -0.125 120.067 120.200 -0.013 0.000 2.338 326 E HA -0.173 4.177 4.350 -0.000 0.000 0.197 326 E C 1.489 178.080 176.600 -0.015 0.000 1.007 326 E CA 0.981 57.374 56.400 -0.012 0.000 0.849 326 E CB -0.004 29.690 29.700 -0.010 0.000 0.774 326 E HN 0.696 nan 8.360 nan 0.000 0.506 327 E N 0.039 120.228 120.200 -0.019 0.000 2.364 327 E HA 0.064 4.414 4.350 -0.000 0.000 0.196 327 E C 1.911 178.495 176.600 -0.027 0.000 0.990 327 E CA -0.141 56.246 56.400 -0.022 0.000 0.886 327 E CB 0.351 30.036 29.700 -0.025 0.000 0.866 327 E HN 0.102 nan 8.360 nan 0.000 0.493 328 R N 0.959 121.440 120.500 -0.032 0.000 2.075 328 R HA 0.027 4.367 4.340 -0.000 0.000 0.226 328 R C 1.867 178.149 176.300 -0.029 0.000 1.114 328 R CA 0.778 56.854 56.100 -0.041 0.000 0.972 328 R CB 0.006 30.276 30.300 -0.050 0.000 0.869 328 R HN -0.055 nan 8.270 nan 0.000 0.437 329 K N 0.128 120.516 120.400 -0.020 0.000 2.504 329 K HA 0.027 4.347 4.320 -0.000 0.000 0.195 329 K C 1.230 177.821 176.600 -0.015 0.000 1.036 329 K CA 0.687 56.965 56.287 -0.014 0.000 0.984 329 K CB 0.376 32.872 32.500 -0.007 0.000 0.788 329 K HN 0.112 nan 8.250 nan 0.000 0.488 330 A N 0.099 122.911 122.820 -0.014 0.000 2.431 330 A HA 0.337 4.657 4.320 -0.000 0.000 0.239 330 A C 1.882 179.464 177.584 -0.003 0.000 1.230 330 A CA 0.409 52.440 52.037 -0.010 0.000 0.928 330 A CB 0.109 19.104 19.000 -0.009 0.000 1.006 330 A HN 0.192 nan 8.150 nan 0.000 0.520 331 A N 0.334 123.150 122.820 -0.006 0.000 1.892 331 A HA -0.145 4.174 4.320 -0.000 0.000 0.218 331 A C 1.902 179.499 177.584 0.021 0.000 1.188 331 A CA 1.864 53.902 52.037 0.001 0.000 0.631 331 A CB -0.500 18.493 19.000 -0.012 0.000 0.822 331 A HN 0.405 nan 8.150 nan 0.000 0.447 332 L N -0.185 121.053 121.223 0.025 0.000 2.042 332 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 332 L C 2.404 179.308 176.870 0.056 0.000 1.076 332 L CA 2.379 57.254 54.840 0.058 0.000 0.749 332 L CB -0.968 41.121 42.059 0.050 0.000 0.893 332 L HN 0.552 nan 8.230 nan 0.000 0.432 333 K N -1.297 119.121 120.400 0.029 0.000 2.097 333 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 333 K C 1.884 178.508 176.600 0.040 0.000 1.050 333 K CA 1.565 57.868 56.287 0.027 0.000 0.938 333 K CB 0.062 32.566 32.500 0.007 0.000 0.718 333 K HN 0.256 nan 8.250 nan 0.000 0.442 334 T N 0.800 115.377 114.554 0.038 0.000 2.788 334 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 334 T C 1.788 176.543 174.700 0.092 0.000 1.044 334 T CA 1.271 63.402 62.100 0.052 0.000 1.139 334 T CB -0.218 68.668 68.868 0.030 0.000 0.867 334 T HN 0.400 nan 8.240 nan 0.000 0.454 335 A N 1.254 124.123 122.820 0.081 0.000 1.898 335 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 335 A C 2.615 180.291 177.584 0.154 0.000 1.181 335 A CA 1.871 53.974 52.037 0.110 0.000 0.620 335 A CB -0.811 18.234 19.000 0.075 0.000 0.819 335 A HN 0.444 nan 8.150 nan 0.000 0.442 336 S N 0.266 116.028 115.700 0.103 0.000 2.356 336 S HA -0.147 4.323 4.470 -0.000 0.000 0.223 336 S C 1.627 176.269 174.600 0.070 0.000 1.032 336 S CA 1.437 59.684 58.200 0.078 0.000 1.005 336 S CB -0.445 62.785 63.200 0.051 0.000 0.867 336 S HN 0.596 nan 8.310 nan 0.000 0.449 337 D N 0.643 121.084 120.400 0.068 0.000 2.144 337 D HA -0.052 4.588 4.640 -0.000 0.000 0.199 337 D C 1.536 177.861 176.300 0.041 0.000 0.984 337 D CA 0.661 54.684 54.000 0.039 0.000 0.834 337 D CB -0.354 40.468 40.800 0.037 0.000 0.955 337 D HN 0.360 nan 8.370 nan 0.000 0.465 338 F N 1.204 121.135 119.950 -0.030 0.000 2.134 338 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 338 F C 2.128 177.909 175.800 -0.031 0.000 1.097 338 F CA 1.081 59.051 58.000 -0.050 0.000 1.264 338 F CB -0.193 38.790 39.000 -0.029 0.000 1.001 338 F HN -0.123 nan 8.300 nan 0.000 0.479 339 I N -0.128 120.510 120.570 0.115 0.000 2.286 339 I HA -0.294 3.875 4.170 -0.000 0.000 0.248 339 I C 2.606 178.673 176.117 -0.083 0.000 1.115 339 I CA 1.496 62.847 61.300 0.085 0.000 1.392 339 I CB -0.613 37.478 38.000 0.152 0.000 1.065 339 I HN 0.327 nan 8.210 nan 0.000 0.418 340 S N 0.587 116.233 115.700 -0.091 0.000 2.395 340 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 340 S C 2.060 176.546 174.600 -0.190 0.000 1.027 340 S CA 0.814 58.946 58.200 -0.113 0.000 0.965 340 S CB -0.227 62.931 63.200 -0.071 0.000 0.812 340 S HN 0.348 nan 8.310 nan 0.000 0.482 341 K N 0.389 120.646 120.400 -0.238 0.000 2.026 341 K HA 0.025 4.345 4.320 -0.000 0.000 0.208 341 K C 1.808 178.165 176.600 -0.404 0.000 1.048 341 K CA 1.511 57.627 56.287 -0.284 0.000 0.929 341 K CB -0.192 32.135 32.500 -0.287 0.000 0.713 341 K HN 0.289 nan 8.250 nan 0.000 0.439 342 M N 0.795 120.015 119.600 -0.635 0.000 2.659 342 M HA -0.030 4.449 4.480 -0.000 0.000 0.243 342 M C -0.049 175.805 176.300 -0.743 0.000 1.111 342 M CA 0.803 55.614 55.300 -0.815 0.000 1.070 342 M CB -0.741 31.082 32.600 -1.294 0.000 1.525 342 M HN 0.242 nan 8.290 nan 0.000 0.517 343 D N -0.347 119.778 120.400 -0.459 0.000 2.870 343 D HA -0.216 4.424 4.640 -0.000 0.000 0.228 343 D C -0.960 175.220 176.300 -0.201 0.000 1.147 343 D CA 0.552 54.383 54.000 -0.281 0.000 0.757 343 D CB -0.946 39.720 40.800 -0.224 0.000 1.091 343 D HN 0.252 nan 8.370 nan 0.000 0.429 344 Y N -0.711 119.526 120.300 -0.105 0.000 2.298 344 Y HA 0.480 5.030 4.550 -0.000 0.000 0.329 344 Y C -1.331 174.518 175.900 -0.085 0.000 1.293 344 Y CA -2.216 55.839 58.100 -0.076 0.000 1.388 344 Y CB -0.260 38.169 38.460 -0.052 0.000 1.309 344 Y HN -0.079 nan 8.280 nan 0.000 0.544 345 P HA 0.096 nan 4.420 nan 0.000 0.269 345 P C 0.052 177.304 177.300 -0.081 0.000 1.209 345 P CA -0.085 62.986 63.100 -0.048 0.000 0.776 345 P CB 0.678 32.303 31.700 -0.126 0.000 0.876 346 K N 1.600 121.932 120.400 -0.114 0.000 2.280 346 K HA -0.150 4.170 4.320 -0.000 0.000 0.202 346 K C 1.601 178.094 176.600 -0.178 0.000 1.047 346 K CA 0.997 57.215 56.287 -0.115 0.000 0.942 346 K CB 0.021 32.457 32.500 -0.107 0.000 0.739 346 K HN 0.552 nan 8.250 nan 0.000 0.457 347 Q N 0.261 119.883 119.800 -0.297 0.000 2.451 347 Q HA 0.014 4.354 4.340 -0.000 0.000 0.206 347 Q C 0.098 175.920 176.000 -0.298 0.000 0.947 347 Q CA 0.432 55.993 55.803 -0.404 0.000 0.937 347 Q CB -0.717 27.472 28.738 -0.915 0.000 1.025 347 Q HN -0.026 nan 8.270 nan 0.000 0.511 348 T N 3.623 118.048 114.554 -0.216 0.000 2.891 348 T HA -0.048 4.302 4.350 -0.000 0.000 0.296 348 T C 0.134 174.761 174.700 -0.121 0.000 1.025 348 T CA 0.476 62.485 62.100 -0.152 0.000 1.149 348 T CB 0.286 69.092 68.868 -0.104 0.000 1.007 348 T HN 0.278 nan 8.240 nan 0.000 0.528 349 Q N 1.554 121.291 119.800 -0.105 0.000 2.314 349 Q HA 0.441 4.780 4.340 -0.000 0.000 0.258 349 Q C -0.565 175.362 176.000 -0.122 0.000 0.954 349 Q CA -0.459 55.285 55.803 -0.098 0.000 0.890 349 Q CB 0.882 29.579 28.738 -0.067 0.000 1.210 349 Q HN 0.382 nan 8.270 nan 0.000 0.410 350 V N 1.828 121.678 119.914 -0.107 0.000 2.588 350 V HA 0.433 4.553 4.120 -0.000 0.000 0.304 350 V C -0.533 175.505 176.094 -0.093 0.000 1.042 350 V CA -0.600 61.640 62.300 -0.101 0.000 0.877 350 V CB 2.143 33.942 31.823 -0.040 0.000 0.996 350 V HN 0.731 nan 8.190 nan 0.000 0.425 351 S N 2.612 118.227 115.700 -0.142 0.000 2.557 351 S HA 0.647 5.117 4.470 -0.000 0.000 0.291 351 S C -0.860 173.690 174.600 -0.083 0.000 1.116 351 S CA -0.521 57.594 58.200 -0.142 0.000 0.992 351 S CB 1.939 65.076 63.200 -0.106 0.000 1.028 351 S HN 0.817 nan 8.310 nan 0.000 0.484 352 V N 6.287 126.125 119.914 -0.126 0.000 2.409 352 V HA 0.781 4.901 4.120 -0.000 0.000 0.291 352 V C -1.176 174.839 176.094 -0.131 0.000 1.020 352 V CA -0.681 61.572 62.300 -0.078 0.000 0.848 352 V CB 0.676 32.471 31.823 -0.047 0.000 0.990 352 V HN 0.792 nan 8.190 nan 0.000 0.430 353 L N 5.230 126.368 121.223 -0.142 0.000 2.354 353 L HA 0.858 5.198 4.340 -0.000 0.000 0.264 353 L C -2.749 173.953 176.870 -0.279 0.000 1.008 353 L CA -2.117 52.609 54.840 -0.190 0.000 0.819 353 L CB 2.378 44.314 42.059 -0.204 0.000 1.339 353 L HN 0.376 nan 8.230 nan 0.000 0.420 354 P HA 0.146 nan 4.420 nan 0.000 0.286 354 P C -0.923 176.171 177.300 -0.344 0.000 1.261 354 P CA -0.326 62.584 63.100 -0.317 0.000 0.821 354 P CB 1.445 33.045 31.700 -0.167 0.000 1.013 355 E N 1.426 121.298 120.200 -0.547 0.000 2.465 355 E HA 0.158 4.508 4.350 -0.000 0.000 0.260 355 E C 1.040 177.657 176.600 0.029 0.000 0.980 355 E CA 0.900 57.159 56.400 -0.236 0.000 0.927 355 E CB -0.638 28.875 29.700 -0.312 0.000 0.934 355 E HN 0.803 nan 8.360 nan 0.000 0.459 356 G N 2.833 111.760 108.800 0.212 0.000 2.225 356 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.254 356 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.254 356 G C 0.619 175.590 174.900 0.119 0.000 0.988 356 G CA 0.168 45.367 45.100 0.164 0.000 0.625 356 G HN 0.890 nan 8.290 nan 0.000 0.527 357 G N 0.123 108.967 108.800 0.074 0.000 3.774 357 G HA2 0.541 4.500 3.960 -0.000 0.000 0.287 357 G HA3 0.541 4.500 3.960 -0.000 0.000 0.287 357 G C 0.208 175.096 174.900 -0.019 0.000 1.030 357 G CA 0.360 45.487 45.100 0.045 0.000 0.824 357 G HN 0.485 nan 8.290 nan 0.000 0.518 358 E N 1.138 121.341 120.200 0.004 0.000 2.438 358 E HA 0.375 4.725 4.350 -0.000 0.000 0.261 358 E C 0.884 177.341 176.600 -0.238 0.000 1.103 358 E CA 0.291 56.631 56.400 -0.101 0.000 0.959 358 E CB 0.572 30.262 29.700 -0.016 0.000 0.958 358 E HN 0.280 nan 8.360 nan 0.000 0.447 359 T N -1.466 112.910 114.554 -0.297 0.000 2.952 359 T HA 0.379 4.729 4.350 -0.000 0.000 0.286 359 T C -2.051 172.542 174.700 -0.178 0.000 1.024 359 T CA -2.257 59.569 62.100 -0.456 0.000 1.029 359 T CB 1.565 70.094 68.868 -0.565 0.000 1.094 359 T HN 0.061 nan 8.240 nan 0.000 0.515 360 P HA -0.061 nan 4.420 nan 0.000 0.216 360 P C 1.637 178.904 177.300 -0.055 0.000 1.153 360 P CA 1.055 64.081 63.100 -0.123 0.000 0.858 360 P CB -0.117 31.559 31.700 -0.040 0.000 0.789 361 L N -3.132 118.147 121.223 0.093 0.000 2.191 361 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 361 L C 2.310 179.292 176.870 0.187 0.000 1.103 361 L CA 1.115 56.079 54.840 0.205 0.000 0.769 361 L CB -0.659 41.649 42.059 0.414 0.000 0.908 361 L HN -0.019 nan 8.230 nan 0.000 0.438 362 F N 1.418 121.319 119.950 -0.082 0.000 2.123 362 F HA -0.093 4.434 4.527 -0.000 0.000 0.289 362 F C 2.773 178.549 175.800 -0.040 0.000 1.099 362 F CA 1.021 58.865 58.000 -0.259 0.000 1.234 362 F CB -0.175 38.661 39.000 -0.274 0.000 1.034 362 F HN -0.077 nan 8.300 nan 0.000 0.479 363 R N 1.181 121.500 120.500 -0.302 0.000 2.285 363 R HA -0.163 4.176 4.340 -0.000 0.000 0.213 363 R C 1.856 178.072 176.300 -0.140 0.000 1.068 363 R CA 1.268 57.060 56.100 -0.514 0.000 1.004 363 R CB -1.253 28.251 30.300 -1.326 0.000 0.873 363 R HN 0.599 nan 8.270 nan 0.000 0.467 364 Q N 0.670 120.360 119.800 -0.184 0.000 2.291 364 Q HA -0.127 4.213 4.340 -0.000 0.000 0.206 364 Q C 0.940 176.756 176.000 -0.307 0.000 0.976 364 Q CA 1.248 56.929 55.803 -0.202 0.000 0.875 364 Q CB -0.295 28.291 28.738 -0.253 0.000 0.927 364 Q HN 0.435 nan 8.270 nan 0.000 0.450 365 F N -0.045 119.721 119.950 -0.305 0.000 2.558 365 F HA 0.171 4.697 4.527 -0.000 0.000 0.298 365 F C 0.145 175.520 175.800 -0.708 0.000 1.119 365 F CA 0.096 57.735 58.000 -0.602 0.000 1.451 365 F CB 0.289 38.813 39.000 -0.793 0.000 1.091 365 F HN -0.053 nan 8.300 nan 0.000 0.563 366 F N 0.555 120.472 119.950 -0.056 0.000 2.420 366 F HA 0.363 4.890 4.527 -0.000 0.000 0.342 366 F C 0.431 176.267 175.800 0.061 0.000 1.113 366 F CA -1.454 56.581 58.000 0.057 0.000 1.059 366 F CB 0.747 39.928 39.000 0.302 0.000 1.128 366 F HN -0.420 nan 8.300 nan 0.000 0.475 367 K N 3.038 123.528 120.400 0.150 0.000 2.383 367 K HA 0.129 4.449 4.320 -0.000 0.000 0.286 367 K C -0.178 176.522 176.600 0.167 0.000 1.051 367 K CA 0.091 56.447 56.287 0.114 0.000 0.974 367 K CB -0.051 32.476 32.500 0.045 0.000 0.968 367 K HN 0.598 nan 8.250 nan 0.000 0.475 368 N N 3.908 122.717 118.700 0.181 0.000 2.467 368 N HA -0.199 4.541 4.740 -0.000 0.000 0.294 368 N C -1.682 173.941 175.510 0.188 0.000 1.361 368 N CA 0.556 53.708 53.050 0.171 0.000 0.665 368 N CB -0.312 38.237 38.487 0.104 0.000 0.939 368 N HN 0.606 nan 8.380 nan 0.000 0.520 369 W N 5.498 126.825 121.300 0.045 0.000 2.469 369 W HA 0.596 5.256 4.660 -0.000 0.000 0.320 369 W C -0.187 176.331 176.519 -0.003 0.000 1.086 369 W CA -0.736 56.608 57.345 -0.002 0.000 1.211 369 W CB 1.118 30.563 29.460 -0.024 0.000 1.298 369 W HN 0.532 nan 8.180 nan 0.000 0.525 370 R N 3.736 124.141 120.500 -0.159 0.000 2.744 370 R HA 0.292 4.632 4.340 -0.000 0.000 0.279 370 R C -1.608 174.675 176.300 -0.027 0.000 0.977 370 R CA -0.534 55.563 56.100 -0.005 0.000 0.906 370 R CB 1.686 31.959 30.300 -0.045 0.000 1.197 370 R HN 0.368 nan 8.270 nan 0.000 0.463 371 D N 3.954 124.413 120.400 0.099 0.000 2.256 371 D HA 0.269 4.908 4.640 -0.000 0.000 0.240 371 D C -1.544 174.786 176.300 0.049 0.000 1.062 371 D CA -1.419 52.645 54.000 0.106 0.000 0.832 371 D CB 2.115 43.006 40.800 0.152 0.000 1.135 371 D HN 0.270 nan 8.370 nan 0.000 0.484 372 P HA -0.139 nan 4.420 nan 0.000 0.209 372 P C -0.513 176.804 177.300 0.028 0.000 1.167 372 P CA 1.241 64.352 63.100 0.017 0.000 0.941 372 P CB 0.214 31.926 31.700 0.019 0.000 0.787 373 D N -1.264 119.158 120.400 0.036 0.000 2.683 373 D HA 0.167 4.807 4.640 -0.000 0.000 0.309 373 D C 0.629 176.954 176.300 0.040 0.000 1.238 373 D CA -0.059 53.962 54.000 0.034 0.000 0.936 373 D CB 0.192 41.008 40.800 0.027 0.000 1.001 373 D HN -0.014 nan 8.370 nan 0.000 0.505 374 Q N -0.759 119.070 119.800 0.047 0.000 2.081 374 Q HA 0.085 4.425 4.340 -0.000 0.000 0.220 374 Q C 1.345 177.375 176.000 0.049 0.000 0.775 374 Q CA 0.237 56.070 55.803 0.050 0.000 0.983 374 Q CB 0.732 29.509 28.738 0.064 0.000 1.188 374 Q HN 0.202 nan 8.270 nan 0.000 0.458 375 T N 1.330 115.913 114.554 0.049 0.000 2.849 375 T HA -0.076 4.274 4.350 -0.000 0.000 0.270 375 T C 0.446 175.173 174.700 0.044 0.000 1.066 375 T CA 1.144 63.274 62.100 0.050 0.000 1.130 375 T CB 0.113 69.010 68.868 0.048 0.000 0.864 375 T HN 0.058 nan 8.240 nan 0.000 0.481 376 E N 1.214 121.436 120.200 0.037 0.000 2.173 376 E HA 0.562 4.911 4.350 -0.000 0.000 0.249 376 E C 0.298 176.915 176.600 0.029 0.000 0.923 376 E CA -0.183 56.236 56.400 0.032 0.000 0.754 376 E CB 1.183 30.900 29.700 0.027 0.000 1.177 376 E HN 0.432 nan 8.360 nan 0.000 0.430 377 G N 1.385 110.203 108.800 0.029 0.000 2.341 377 G HA2 0.243 4.203 3.960 -0.000 0.000 0.293 377 G HA3 0.243 4.203 3.960 -0.000 0.000 0.293 377 G C -1.726 173.188 174.900 0.023 0.000 1.298 377 G CA -0.977 44.138 45.100 0.024 0.000 0.868 377 G HN 0.218 nan 8.290 nan 0.000 0.540 378 L N 0.864 122.096 121.223 0.015 0.000 2.457 378 L HA 0.656 4.996 4.340 -0.000 0.000 0.266 378 L C 0.417 177.287 176.870 -0.001 0.000 0.979 378 L CA 0.025 54.871 54.840 0.010 0.000 0.857 378 L CB 1.489 43.552 42.059 0.006 0.000 1.213 378 L HN 2.018 nan 8.230 nan 0.000 0.418 379 G N 3.052 111.852 108.800 -0.000 0.000 3.448 379 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.685 379 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.685 379 G C -0.498 174.407 174.900 0.009 0.000 1.151 379 G CA -1.002 44.092 45.100 -0.010 0.000 1.023 379 G HN 0.534 nan 8.290 nan 0.000 0.499 380 L N 1.754 122.986 121.223 0.016 0.000 2.858 380 L HA 0.326 4.666 4.340 -0.000 0.000 0.243 380 L C 2.019 178.931 176.870 0.070 0.000 1.416 380 L CA 0.854 55.719 54.840 0.042 0.000 1.182 380 L CB -0.685 41.388 42.059 0.024 0.000 1.564 380 L HN 1.937 nan 8.230 nan 0.000 0.436 381 A N -0.491 122.362 122.820 0.055 0.000 3.413 381 A HA -0.324 3.995 4.320 -0.000 0.000 0.268 381 A C 0.114 177.769 177.584 0.118 0.000 1.128 381 A CA 1.498 53.575 52.037 0.068 0.000 1.062 381 A CB -1.960 17.091 19.000 0.085 0.000 1.121 381 A HN 0.560 nan 8.150 nan 0.000 0.895 382 Y N -1.913 118.371 120.300 -0.027 0.000 2.396 382 Y HA 0.587 5.137 4.550 -0.000 0.000 0.332 382 Y C -0.959 174.919 175.900 -0.037 0.000 1.034 382 Y CA -0.939 57.147 58.100 -0.024 0.000 1.057 382 Y CB 1.473 39.927 38.460 -0.010 0.000 1.220 382 Y HN 0.586 nan 8.280 nan 0.000 0.440 383 L N 5.348 126.198 121.223 -0.622 0.000 2.316 383 L HA 0.566 4.906 4.340 -0.000 0.000 0.280 383 L C -0.584 175.966 176.870 -0.534 0.000 1.006 383 L CA -0.123 54.466 54.840 -0.419 0.000 0.836 383 L CB 1.515 43.401 42.059 -0.288 0.000 1.221 383 L HN 0.642 nan 8.230 nan 0.000 0.418 384 S N 2.450 117.993 115.700 -0.261 0.000 2.544 384 S HA -0.031 4.439 4.470 -0.000 0.000 0.290 384 S C 1.444 175.948 174.600 -0.159 0.000 1.276 384 S CA 0.498 58.644 58.200 -0.090 0.000 1.075 384 S CB 1.004 64.207 63.200 0.005 0.000 0.849 384 S HN 0.833 nan 8.310 nan 0.000 0.494 385 S N 2.452 118.150 115.700 -0.003 0.000 2.380 385 S HA -0.258 4.212 4.470 -0.000 0.000 0.229 385 S C 1.761 176.369 174.600 0.013 0.000 1.043 385 S CA 2.199 60.420 58.200 0.035 0.000 1.038 385 S CB -0.514 62.814 63.200 0.213 0.000 0.872 385 S HN 0.975 nan 8.310 nan 0.000 0.456 386 H N 0.246 119.279 119.070 -0.062 0.000 2.545 386 H HA 0.168 4.724 4.556 -0.000 0.000 0.282 386 H C 1.523 176.720 175.328 -0.218 0.000 1.020 386 H CA 1.296 57.258 56.048 -0.143 0.000 1.243 386 H CB -0.400 29.216 29.762 -0.242 0.000 1.377 386 H HN 0.656 nan 8.280 nan 0.000 0.581 387 I N -3.524 116.688 120.570 -0.597 0.000 4.147 387 I HA 0.572 4.742 4.170 -0.000 0.000 0.329 387 I C 1.794 177.622 176.117 -0.481 0.000 1.424 387 I CA -0.009 60.925 61.300 -0.611 0.000 1.127 387 I CB 0.493 38.152 38.000 -0.568 0.000 1.128 387 I HN 0.199 nan 8.210 nan 0.000 0.417 388 A N 2.295 124.934 122.820 -0.302 0.000 2.032 388 A HA -0.265 4.055 4.320 -0.000 0.000 0.221 388 A C 2.108 179.591 177.584 -0.168 0.000 1.165 388 A CA 2.409 54.327 52.037 -0.199 0.000 0.645 388 A CB -1.235 17.693 19.000 -0.121 0.000 0.807 388 A HN 0.876 nan 8.150 nan 0.000 0.453 389 H N -2.468 116.533 119.070 -0.114 0.000 2.544 389 H HA 0.397 4.952 4.556 -0.000 0.000 0.269 389 H C 0.195 175.481 175.328 -0.069 0.000 0.970 389 H CA 0.328 56.325 56.048 -0.085 0.000 1.219 389 H CB -0.680 29.033 29.762 -0.082 0.000 1.421 389 H HN 0.085 nan 8.280 nan 0.000 0.555 390 V N 2.462 121.967 119.914 -0.681 0.000 2.529 390 V HA -0.028 4.092 4.120 -0.000 0.000 0.292 390 V C 0.369 176.369 176.094 -0.156 0.000 1.028 390 V CA 0.036 62.117 62.300 -0.364 0.000 1.074 390 V CB 0.701 32.318 31.823 -0.344 0.000 0.958 390 V HN 0.494 nan 8.190 nan 0.000 0.481 391 E N 5.025 125.179 120.200 -0.078 0.000 2.229 391 E HA 0.252 4.601 4.350 -0.000 0.000 0.283 391 E C -0.186 176.386 176.600 -0.046 0.000 1.030 391 E CA -0.678 55.693 56.400 -0.048 0.000 0.836 391 E CB 0.784 30.470 29.700 -0.022 0.000 1.068 391 E HN 0.442 nan 8.360 nan 0.000 0.401 392 R N 1.837 122.317 120.500 -0.033 0.000 2.442 392 R HA 0.136 4.476 4.340 -0.000 0.000 0.291 392 R C -0.456 175.849 176.300 0.008 0.000 1.069 392 R CA -0.162 55.929 56.100 -0.014 0.000 1.022 392 R CB 0.909 31.210 30.300 0.001 0.000 0.976 392 R HN 0.284 nan 8.270 nan 0.000 0.443 393 V N 5.580 125.512 119.914 0.030 0.000 2.447 393 V HA 0.357 4.477 4.120 -0.000 0.000 0.292 393 V C -2.200 174.010 176.094 0.194 0.000 1.021 393 V CA -2.216 60.123 62.300 0.065 0.000 0.850 393 V CB 2.075 33.913 31.823 0.026 0.000 1.005 393 V HN 0.622 nan 8.190 nan 0.000 0.426 394 P HA 0.102 nan 4.420 nan 0.000 0.269 394 P C -0.276 177.061 177.300 0.062 0.000 1.209 394 P CA -0.071 63.146 63.100 0.196 0.000 0.776 394 P CB 0.596 32.353 31.700 0.095 0.000 0.876 395 F N 2.182 121.929 119.950 -0.339 0.000 2.553 395 F HA 0.144 4.671 4.527 -0.000 0.000 0.356 395 F C 0.365 176.047 175.800 -0.196 0.000 1.142 395 F CA 1.007 58.726 58.000 -0.469 0.000 1.322 395 F CB 0.369 38.929 39.000 -0.734 0.000 1.126 395 F HN 0.304 nan 8.300 nan 0.000 0.599 396 D N 3.970 123.662 120.400 -1.180 0.000 2.296 396 D HA 0.308 4.948 4.640 -0.000 0.000 0.224 396 D C 0.225 175.989 176.300 -0.894 0.000 1.324 396 D CA 0.218 53.790 54.000 -0.712 0.000 0.940 396 D CB 0.934 41.520 40.800 -0.355 0.000 1.492 396 D HN 0.640 nan 8.370 nan 0.000 0.531 397 A N 3.034 125.417 122.820 -0.728 0.000 1.958 397 A HA -0.065 4.255 4.320 -0.000 0.000 0.221 397 A C 2.266 179.698 177.584 -0.254 0.000 1.178 397 A CA 2.211 54.043 52.037 -0.341 0.000 0.642 397 A CB -0.622 18.407 19.000 0.049 0.000 0.816 397 A HN 0.710 nan 8.150 nan 0.000 0.453 398 A N -0.830 121.858 122.820 -0.219 0.000 1.978 398 A HA -0.075 4.245 4.320 -0.000 0.000 0.220 398 A C 2.132 179.538 177.584 -0.297 0.000 1.170 398 A CA 2.394 54.328 52.037 -0.170 0.000 0.636 398 A CB -0.846 18.085 19.000 -0.115 0.000 0.810 398 A HN 0.943 nan 8.150 nan 0.000 0.448 399 T N -3.945 110.377 114.554 -0.387 0.000 3.084 399 T HA 0.271 4.621 4.350 -0.000 0.000 0.270 399 T C 1.293 175.679 174.700 -0.524 0.000 1.008 399 T CA 0.392 62.211 62.100 -0.468 0.000 0.900 399 T CB -0.019 68.685 68.868 -0.273 0.000 1.084 399 T HN 0.110 nan 8.240 nan 0.000 0.538 400 L N 3.423 124.348 121.223 -0.498 0.000 1.971 400 L HA -0.165 4.175 4.340 -0.000 0.000 0.215 400 L C 2.355 179.069 176.870 -0.260 0.000 1.072 400 L CA 2.552 57.209 54.840 -0.305 0.000 0.758 400 L CB -1.110 40.839 42.059 -0.183 0.000 0.889 400 L HN 0.651 nan 8.230 nan 0.000 0.433 401 H N -3.331 115.602 119.070 -0.227 0.000 2.557 401 H HA -0.047 4.509 4.556 -0.000 0.000 0.287 401 H C 1.719 176.715 175.328 -0.553 0.000 1.043 401 H CA 1.372 57.078 56.048 -0.571 0.000 1.226 401 H CB -1.221 28.373 29.762 -0.280 0.000 1.361 401 H HN 0.352 nan 8.280 nan 0.000 0.592 402 T N -1.080 113.326 114.554 -0.246 0.000 3.022 402 T HA 0.156 4.505 4.350 -0.000 0.000 0.250 402 T C 0.219 174.926 174.700 0.011 0.000 1.060 402 T CA 0.460 62.544 62.100 -0.027 0.000 1.013 402 T CB -0.133 68.700 68.868 -0.058 0.000 0.982 402 T HN 0.399 nan 8.240 nan 0.000 0.508 403 S N 0.340 116.061 115.700 0.035 0.000 2.594 403 S HA 0.396 4.866 4.470 -0.000 0.000 0.296 403 S C 1.234 175.948 174.600 0.190 0.000 1.124 403 S CA -0.279 57.977 58.200 0.094 0.000 1.011 403 S CB 1.575 64.781 63.200 0.009 0.000 1.016 403 S HN 0.345 nan 8.310 nan 0.000 0.485 404 T N 2.446 117.071 114.554 0.117 0.000 3.014 404 T HA 0.126 4.475 4.350 -0.000 0.000 0.263 404 T C 1.970 176.596 174.700 -0.125 0.000 1.078 404 T CA 0.810 62.890 62.100 -0.033 0.000 1.135 404 T CB -0.406 68.419 68.868 -0.071 0.000 0.895 404 T HN 0.677 nan 8.240 nan 0.000 0.480 405 A N 1.779 124.539 122.820 -0.099 0.000 1.902 405 A HA 0.090 4.409 4.320 -0.000 0.000 0.217 405 A C 2.446 179.921 177.584 -0.180 0.000 1.181 405 A CA 1.729 53.654 52.037 -0.187 0.000 0.623 405 A CB -0.825 18.108 19.000 -0.112 0.000 0.818 405 A HN 0.564 nan 8.150 nan 0.000 0.443 406 M N -0.533 119.044 119.600 -0.038 0.000 2.132 406 M HA -0.085 4.395 4.480 -0.000 0.000 0.263 406 M C 2.280 178.662 176.300 0.137 0.000 1.065 406 M CA 1.509 56.869 55.300 0.100 0.000 1.122 406 M CB -0.246 32.401 32.600 0.079 0.000 1.365 406 M HN 0.430 nan 8.290 nan 0.000 0.411 407 A N 0.420 123.270 122.820 0.050 0.000 1.883 407 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 407 A C 2.294 179.843 177.584 -0.057 0.000 1.186 407 A CA 2.076 54.132 52.037 0.032 0.000 0.624 407 A CB -1.236 17.698 19.000 -0.109 0.000 0.822 407 A HN 0.646 nan 8.150 nan 0.000 0.444 408 A N -0.862 121.789 122.820 -0.282 0.000 1.877 408 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 408 A C 2.103 179.404 177.584 -0.472 0.000 1.186 408 A CA 1.684 53.389 52.037 -0.552 0.000 0.620 408 A CB -0.640 17.582 19.000 -1.297 0.000 0.822 408 A HN 0.634 nan 8.150 nan 0.000 0.443 409 Q N -1.467 118.002 119.800 -0.551 0.000 2.364 409 Q HA -0.106 4.234 4.340 -0.000 0.000 0.207 409 Q C 0.920 176.701 176.000 -0.366 0.000 0.970 409 Q CA 1.095 56.647 55.803 -0.419 0.000 0.888 409 Q CB -0.004 28.449 28.738 -0.475 0.000 0.951 409 Q HN 0.783 nan 8.270 nan 0.000 0.469 410 H N -1.911 117.208 119.070 0.082 0.000 2.893 410 H HA 0.200 4.755 4.556 -0.000 0.000 0.270 410 H C 0.673 176.077 175.328 0.127 0.000 1.095 410 H CA 0.573 56.698 56.048 0.128 0.000 1.186 410 H CB 1.119 31.003 29.762 0.202 0.000 1.562 410 H HN 0.297 nan 8.280 nan 0.000 0.536 411 G N 2.251 111.179 108.800 0.213 0.000 2.366 411 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.299 411 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.299 411 G C 0.027 175.039 174.900 0.188 0.000 1.020 411 G CA 0.181 45.412 45.100 0.217 0.000 1.026 411 G HN 0.124 nan 8.290 nan 0.000 0.512 412 M N 0.410 120.117 119.600 0.178 0.000 2.022 412 M HA 0.248 4.728 4.480 -0.000 0.000 0.298 412 M C 0.189 176.517 176.300 0.048 0.000 0.909 412 M CA -0.812 54.608 55.300 0.199 0.000 0.914 412 M CB 1.392 34.200 32.600 0.347 0.000 1.486 412 M HN 0.005 nan 8.290 nan 0.000 0.415 413 D N 1.982 122.206 120.400 -0.294 0.000 2.350 413 D HA -0.039 4.601 4.640 -0.000 0.000 0.216 413 D C 0.283 176.578 176.300 -0.008 0.000 0.968 413 D CA 1.265 55.043 54.000 -0.369 0.000 0.894 413 D CB 0.504 40.850 40.800 -0.757 0.000 0.909 413 D HN 0.706 nan 8.370 nan 0.000 0.520 414 D N -1.422 119.123 120.400 0.242 0.000 2.890 414 D HA -0.122 4.517 4.640 -0.000 0.000 0.306 414 D C -0.402 176.167 176.300 0.449 0.000 1.280 414 D CA -0.480 53.779 54.000 0.433 0.000 0.742 414 D CB 0.045 41.147 40.800 0.503 0.000 1.266 414 D HN -0.154 nan 8.370 nan 0.000 0.433 415 D N -0.832 119.782 120.400 0.356 0.000 2.378 415 D HA 0.247 4.887 4.640 -0.000 0.000 0.227 415 D C 1.618 178.029 176.300 0.186 0.000 1.012 415 D CA 0.932 55.098 54.000 0.277 0.000 0.905 415 D CB -0.529 40.402 40.800 0.218 0.000 0.895 415 D HN 1.092 nan 8.370 nan 0.000 0.532 416 G N 0.080 109.024 108.800 0.240 0.000 2.160 416 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.251 416 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.251 416 G C 0.790 175.752 174.900 0.102 0.000 1.008 416 G CA 0.783 45.882 45.100 -0.002 0.000 0.724 416 G HN 0.715 nan 8.290 nan 0.000 0.514 417 T N -1.986 112.704 114.554 0.227 0.000 3.214 417 T HA 0.584 4.934 4.350 -0.000 0.000 0.264 417 T C 1.207 176.026 174.700 0.198 0.000 1.012 417 T CA 0.734 62.932 62.100 0.163 0.000 0.901 417 T CB 1.002 69.939 68.868 0.115 0.000 1.070 417 T HN 1.232 nan 8.240 nan 0.000 0.561 418 G N 0.592 109.600 108.800 0.346 0.000 2.547 418 G HA2 0.457 4.417 3.960 -0.000 0.000 0.291 418 G HA3 0.457 4.417 3.960 -0.000 0.000 0.291 418 G C -0.242 174.665 174.900 0.011 0.000 1.211 418 G CA -0.756 44.370 45.100 0.043 0.000 0.950 418 G HN 0.331 nan 8.290 nan 0.000 0.504 419 Q N -0.117 119.607 119.800 -0.126 0.000 2.364 419 Q HA 0.253 4.593 4.340 -0.000 0.000 0.267 419 Q C 0.109 176.096 176.000 -0.021 0.000 0.999 419 Q CA 0.573 56.346 55.803 -0.050 0.000 0.886 419 Q CB 1.282 29.978 28.738 -0.069 0.000 1.243 419 Q HN 0.709 nan 8.270 nan 0.000 0.415 420 K N 0.117 120.578 120.400 0.101 0.000 2.556 420 K HA 0.559 4.878 4.320 -0.000 0.000 0.274 420 K C -1.326 175.342 176.600 0.113 0.000 0.966 420 K CA -1.013 55.376 56.287 0.171 0.000 0.865 420 K CB 1.611 34.301 32.500 0.317 0.000 1.444 420 K HN 0.258 nan 8.250 nan 0.000 0.433 421 Q N 2.053 121.849 119.800 -0.007 0.000 2.285 421 Q HA 0.501 4.841 4.340 -0.000 0.000 0.269 421 Q C -1.839 173.935 176.000 -0.377 0.000 1.030 421 Q CA -0.504 55.142 55.803 -0.262 0.000 0.788 421 Q CB 1.681 30.052 28.738 -0.611 0.000 1.266 421 Q HN 0.746 nan 8.270 nan 0.000 0.438 422 I N 3.598 123.926 120.570 -0.403 0.000 2.404 422 I HA 0.529 4.698 4.170 -0.000 0.000 0.293 422 I C -0.624 175.402 176.117 -0.153 0.000 0.992 422 I CA -0.732 60.403 61.300 -0.276 0.000 1.149 422 I CB 1.187 38.859 38.000 -0.547 0.000 1.315 422 I HN 0.422 nan 8.210 nan 0.000 0.446 423 W N 5.178 126.588 121.300 0.183 0.000 2.736 423 W HA 0.512 5.172 4.660 -0.000 0.000 0.335 423 W C -0.124 176.557 176.519 0.269 0.000 1.059 423 W CA -0.752 56.707 57.345 0.190 0.000 1.226 423 W CB 2.182 31.729 29.460 0.144 0.000 1.416 423 W HN 0.398 nan 8.180 nan 0.000 0.505 424 R N 1.280 122.035 120.500 0.425 0.000 2.474 424 R HA 0.576 4.916 4.340 -0.000 0.000 0.295 424 R C -1.205 175.149 176.300 0.090 0.000 0.980 424 R CA -0.411 55.782 56.100 0.156 0.000 0.934 424 R CB 1.616 31.976 30.300 0.100 0.000 1.101 424 R HN 0.270 nan 8.270 nan 0.000 0.469 425 V N 4.010 123.908 119.914 -0.026 0.000 2.383 425 V HA 0.245 4.365 4.120 -0.000 0.000 0.275 425 V C -0.471 175.604 176.094 -0.031 0.000 1.036 425 V CA -0.289 62.004 62.300 -0.011 0.000 0.889 425 V CB 1.366 33.180 31.823 -0.015 0.000 0.985 425 V HN 0.820 nan 8.190 nan 0.000 0.459 426 E N 3.701 123.894 120.200 -0.012 0.000 2.220 426 E HA 0.567 4.917 4.350 -0.000 0.000 0.256 426 E C 0.760 177.350 176.600 -0.015 0.000 0.881 426 E CA 0.182 56.574 56.400 -0.014 0.000 0.766 426 E CB 1.779 31.478 29.700 -0.002 0.000 1.187 426 E HN 0.875 nan 8.360 nan 0.000 0.419 427 G N 3.209 111.998 108.800 -0.019 0.000 2.687 427 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.303 427 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.303 427 G C 0.759 175.644 174.900 -0.024 0.000 1.209 427 G CA 0.582 45.670 45.100 -0.020 0.000 0.968 427 G HN 0.800 nan 8.290 nan 0.000 0.549 428 S N 0.331 116.016 115.700 -0.026 0.000 2.846 428 S HA 0.463 4.933 4.470 -0.000 0.000 0.249 428 S C 0.085 174.659 174.600 -0.044 0.000 1.028 428 S CA 0.449 58.629 58.200 -0.035 0.000 1.043 428 S CB 0.103 63.283 63.200 -0.032 0.000 0.990 428 S HN 0.793 nan 8.310 nan 0.000 0.564 429 N N 0.939 119.617 118.700 -0.038 0.000 2.335 429 N HA 0.419 5.159 4.740 -0.000 0.000 0.304 429 N C -1.363 174.118 175.510 -0.048 0.000 1.135 429 N CA -0.921 52.102 53.050 -0.046 0.000 0.817 429 N CB 1.304 39.780 38.487 -0.019 0.000 1.294 429 N HN 0.053 nan 8.380 nan 0.000 0.497 430 K N 1.330 121.670 120.400 -0.099 0.000 2.253 430 K HA 0.376 4.696 4.320 -0.000 0.000 0.277 430 K C -1.170 175.484 176.600 0.090 0.000 1.053 430 K CA -0.474 55.740 56.287 -0.121 0.000 0.892 430 K CB 1.264 33.401 32.500 -0.606 0.000 1.102 430 K HN 0.204 nan 8.250 nan 0.000 0.469 431 V N 6.193 126.246 119.914 0.231 0.000 2.370 431 V HA 0.242 4.362 4.120 -0.000 0.000 0.283 431 V C -2.007 174.324 176.094 0.395 0.000 1.023 431 V CA -2.272 60.188 62.300 0.265 0.000 0.857 431 V CB 1.190 33.100 31.823 0.145 0.000 0.985 431 V HN 0.707 nan 8.190 nan 0.000 0.443 432 P HA 0.070 nan 4.420 nan 0.000 0.264 432 P C -0.210 177.185 177.300 0.158 0.000 1.193 432 P CA 0.268 63.489 63.100 0.202 0.000 0.763 432 P CB 1.005 32.777 31.700 0.120 0.000 0.810 433 V N 3.666 123.668 119.914 0.146 0.000 2.732 433 V HA 0.032 4.152 4.120 -0.000 0.000 0.297 433 V C 1.142 177.356 176.094 0.200 0.000 1.060 433 V CA -0.110 62.289 62.300 0.165 0.000 1.038 433 V CB 0.606 32.484 31.823 0.093 0.000 1.003 433 V HN 0.605 nan 8.190 nan 0.000 0.481 434 D N 5.477 125.959 120.400 0.137 0.000 2.389 434 D HA 0.047 4.687 4.640 -0.000 0.000 0.263 434 D C -1.534 174.824 176.300 0.096 0.000 1.255 434 D CA -1.188 52.862 54.000 0.085 0.000 0.914 434 D CB 1.665 42.493 40.800 0.046 0.000 1.116 434 D HN 0.258 nan 8.370 nan 0.000 0.502 435 P HA -0.209 nan 4.420 nan 0.000 0.219 435 P C 0.773 177.913 177.300 -0.267 0.000 1.153 435 P CA 1.636 64.472 63.100 -0.441 0.000 0.865 435 P CB 0.167 31.647 31.700 -0.367 0.000 0.788 436 A N -2.002 120.757 122.820 -0.103 0.000 2.235 436 A HA -0.013 4.306 4.320 -0.000 0.000 0.208 436 A C 1.710 179.291 177.584 -0.005 0.000 1.172 436 A CA 1.398 53.402 52.037 -0.055 0.000 0.786 436 A CB -1.079 17.896 19.000 -0.042 0.000 0.804 436 A HN 0.173 nan 8.150 nan 0.000 0.479 437 T N -1.409 113.173 114.554 0.047 0.000 3.023 437 T HA 0.165 4.515 4.350 -0.000 0.000 0.253 437 T C -0.150 174.534 174.700 -0.026 0.000 1.038 437 T CA -0.357 61.758 62.100 0.025 0.000 0.962 437 T CB -0.256 68.637 68.868 0.041 0.000 1.018 437 T HN 0.339 nan 8.240 nan 0.000 0.521 438 Y N 2.111 122.299 120.300 -0.185 0.000 2.916 438 Y HA 0.275 4.825 4.550 -0.000 0.000 0.344 438 Y C 1.655 177.315 175.900 -0.400 0.000 1.282 438 Y CA 0.822 58.797 58.100 -0.209 0.000 1.604 438 Y CB -0.561 37.911 38.460 0.019 0.000 1.207 438 Y HN 0.365 nan 8.280 nan 0.000 0.561 439 G N 2.707 110.978 108.800 -0.881 0.000 2.231 439 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.206 439 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.206 439 G C -0.021 174.310 174.900 -0.949 0.000 0.996 439 G CA -0.432 43.856 45.100 -1.353 0.000 0.645 439 G HN 0.519 nan 8.290 nan 0.000 0.498 440 Q N -0.078 119.167 119.800 -0.925 0.000 2.348 440 Q HA 0.679 5.019 4.340 -0.000 0.000 0.265 440 Q C -1.201 174.192 176.000 -1.011 0.000 0.998 440 Q CA -0.511 54.854 55.803 -0.730 0.000 0.831 440 Q CB 1.133 29.693 28.738 -0.297 0.000 1.251 440 Q HN 0.247 nan 8.270 nan 0.000 0.456 441 F N 1.673 121.205 119.950 -0.698 0.000 2.482 441 F HA 0.417 4.944 4.527 -0.000 0.000 0.331 441 F C -0.672 174.965 175.800 -0.273 0.000 1.115 441 F CA -0.795 56.816 58.000 -0.648 0.000 0.955 441 F CB 1.118 39.344 39.000 -1.290 0.000 1.136 441 F HN 0.423 nan 8.300 nan 0.000 0.452 442 Y N 0.575 121.110 120.300 0.391 0.000 2.328 442 Y HA 0.358 4.907 4.550 -0.000 0.000 0.337 442 Y C 1.297 177.523 175.900 0.544 0.000 1.008 442 Y CA -0.640 57.733 58.100 0.454 0.000 1.129 442 Y CB 1.765 40.433 38.460 0.348 0.000 1.185 442 Y HN 0.831 nan 8.280 nan 0.000 0.476 443 G N 1.647 110.788 108.800 0.568 0.000 2.564 443 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 443 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 443 G C 1.443 176.536 174.900 0.321 0.000 1.124 443 G CA 0.853 46.232 45.100 0.466 0.000 0.764 443 G HN 0.917 nan 8.290 nan 0.000 0.550 444 G N -0.869 108.123 108.800 0.320 0.000 3.042 444 G HA2 0.265 4.224 3.960 -0.000 0.000 0.212 444 G HA3 0.265 4.224 3.960 -0.000 0.000 0.212 444 G C -0.013 174.973 174.900 0.143 0.000 1.166 444 G CA -0.125 45.087 45.100 0.185 0.000 0.767 444 G HN 0.285 nan 8.290 nan 0.000 0.546 445 D N -0.541 119.988 120.400 0.214 0.000 2.467 445 D HA 0.638 5.278 4.640 -0.000 0.000 0.245 445 D C -0.714 175.610 176.300 0.040 0.000 1.038 445 D CA -0.237 53.771 54.000 0.014 0.000 1.038 445 D CB 1.829 42.496 40.800 -0.222 0.000 1.278 445 D HN -0.124 nan 8.370 nan 0.000 0.564 446 S N -0.530 115.065 115.700 -0.174 0.000 2.536 446 S HA 0.623 5.093 4.470 -0.000 0.000 0.287 446 S C -1.380 173.141 174.600 -0.133 0.000 1.101 446 S CA -0.577 57.636 58.200 0.021 0.000 0.950 446 S CB 0.910 64.125 63.200 0.026 0.000 1.056 446 S HN 0.267 nan 8.310 nan 0.000 0.481 447 Y N 0.945 121.498 120.300 0.422 0.000 2.576 447 Y HA 0.660 5.210 4.550 -0.000 0.000 0.346 447 Y C -0.194 175.923 175.900 0.361 0.000 1.018 447 Y CA -1.002 57.335 58.100 0.395 0.000 1.050 447 Y CB 1.187 39.932 38.460 0.475 0.000 1.280 447 Y HN 0.425 nan 8.280 nan 0.000 0.474 448 I N 3.608 124.510 120.570 0.553 0.000 2.436 448 I HA 0.454 4.624 4.170 -0.000 0.000 0.289 448 I C -1.109 175.350 176.117 0.570 0.000 1.010 448 I CA -0.561 61.029 61.300 0.484 0.000 1.098 448 I CB 1.638 39.864 38.000 0.376 0.000 1.266 448 I HN 0.409 nan 8.210 nan 0.000 0.434 449 I N 6.868 127.726 120.570 0.480 0.000 2.410 449 I HA 0.299 4.469 4.170 -0.000 0.000 0.286 449 I C -0.909 175.454 176.117 0.410 0.000 1.009 449 I CA -0.752 60.791 61.300 0.406 0.000 1.111 449 I CB 2.057 40.284 38.000 0.378 0.000 1.262 449 I HN 0.314 nan 8.210 nan 0.000 0.443 450 L N 8.396 129.837 121.223 0.364 0.000 2.272 450 L HA 0.482 4.822 4.340 -0.000 0.000 0.289 450 L C -1.439 175.610 176.870 0.298 0.000 1.032 450 L CA -0.190 54.848 54.840 0.330 0.000 0.810 450 L CB 0.754 43.034 42.059 0.368 0.000 1.205 450 L HN 0.463 nan 8.230 nan 0.000 0.422 451 Y N 4.452 124.858 120.300 0.178 0.000 2.462 451 Y HA 0.549 5.099 4.550 -0.000 0.000 0.346 451 Y C -0.811 175.190 175.900 0.168 0.000 0.976 451 Y CA -0.815 57.393 58.100 0.180 0.000 1.044 451 Y CB 1.529 40.150 38.460 0.267 0.000 1.230 451 Y HN 0.664 nan 8.280 nan 0.000 0.455 452 N N 5.004 123.303 118.700 -0.668 0.000 2.457 452 N HA 0.183 4.923 4.740 -0.000 0.000 0.250 452 N C -1.503 173.626 175.510 -0.635 0.000 0.982 452 N CA -0.350 52.411 53.050 -0.482 0.000 0.941 452 N CB 0.412 38.708 38.487 -0.318 0.000 1.120 452 N HN 0.590 nan 8.380 nan 0.000 0.505 453 Y N 0.229 120.420 120.300 -0.183 0.000 2.376 453 Y HA 0.705 5.255 4.550 -0.000 0.000 0.325 453 Y C -0.368 175.590 175.900 0.096 0.000 1.199 453 Y CA -1.117 57.044 58.100 0.100 0.000 1.206 453 Y CB 1.091 39.764 38.460 0.355 0.000 1.229 453 Y HN 0.213 nan 8.280 nan 0.000 0.480 454 R N 3.270 123.985 120.500 0.358 0.000 2.483 454 R HA 0.320 4.660 4.340 -0.000 0.000 0.303 454 R C -1.761 174.770 176.300 0.385 0.000 0.987 454 R CA -0.779 55.467 56.100 0.243 0.000 0.881 454 R CB 1.464 31.832 30.300 0.113 0.000 1.177 454 R HN 0.801 nan 8.270 nan 0.000 0.451 455 H N 1.888 121.130 119.070 0.286 0.000 2.924 455 H HA 0.133 4.689 4.556 -0.000 0.000 0.333 455 H C 0.986 176.420 175.328 0.176 0.000 0.979 455 H CA 0.077 56.276 56.048 0.251 0.000 1.326 455 H CB 1.904 31.822 29.762 0.260 0.000 1.600 455 H HN 0.806 nan 8.280 nan 0.000 0.520 456 G N 3.284 112.068 108.800 -0.028 0.000 2.942 456 G HA2 -0.488 3.472 3.960 -0.000 0.000 0.244 456 G HA3 -0.488 3.472 3.960 -0.000 0.000 0.244 456 G C 1.631 176.610 174.900 0.131 0.000 1.096 456 G CA 2.150 47.252 45.100 0.003 0.000 0.731 456 G HN 0.657 nan 8.290 nan 0.000 0.653 457 S N 0.311 116.181 115.700 0.284 0.000 2.355 457 S HA 0.026 4.496 4.470 -0.000 0.000 0.222 457 S C 1.227 175.965 174.600 0.230 0.000 1.031 457 S CA 1.456 59.817 58.200 0.267 0.000 0.993 457 S CB -0.138 63.250 63.200 0.313 0.000 0.859 457 S HN 1.016 nan 8.310 nan 0.000 0.453 458 R N -0.231 120.441 120.500 0.287 0.000 2.766 458 R HA 0.630 4.970 4.340 -0.000 0.000 0.270 458 R C -1.981 174.466 176.300 0.244 0.000 1.035 458 R CA -1.042 55.199 56.100 0.235 0.000 0.911 458 R CB 0.898 31.341 30.300 0.239 0.000 1.243 458 R HN 0.253 nan 8.270 nan 0.000 0.460 459 Q N -0.721 119.117 119.800 0.062 0.000 2.451 459 Q HA 0.813 5.152 4.340 -0.000 0.000 0.281 459 Q C -0.686 175.003 176.000 -0.518 0.000 1.099 459 Q CA -0.638 55.014 55.803 -0.252 0.000 0.806 459 Q CB 2.743 31.394 28.738 -0.146 0.000 1.419 459 Q HN 0.988 nan 8.270 nan 0.000 0.427 460 G N 0.065 108.203 108.800 -1.104 0.000 2.348 460 G HA2 0.385 4.344 3.960 -0.000 0.000 0.296 460 G HA3 0.385 4.344 3.960 -0.000 0.000 0.296 460 G C -1.840 172.753 174.900 -0.511 0.000 1.258 460 G CA -0.652 44.055 45.100 -0.654 0.000 0.868 460 G HN 0.393 nan 8.290 nan 0.000 0.488 461 Q N -0.872 118.891 119.800 -0.061 0.000 2.389 461 Q HA 0.713 5.052 4.340 -0.000 0.000 0.277 461 Q C -1.212 174.917 176.000 0.216 0.000 1.082 461 Q CA -0.672 55.180 55.803 0.083 0.000 0.810 461 Q CB 3.180 31.927 28.738 0.014 0.000 1.374 461 Q HN 0.488 nan 8.270 nan 0.000 0.422 462 I N 2.136 122.849 120.570 0.239 0.000 2.545 462 I HA 0.471 4.640 4.170 -0.000 0.000 0.292 462 I C -0.911 175.222 176.117 0.027 0.000 1.040 462 I CA -0.767 60.582 61.300 0.082 0.000 1.068 462 I CB 1.907 39.914 38.000 0.012 0.000 1.251 462 I HN 0.445 nan 8.210 nan 0.000 0.424 463 I N 6.005 126.536 120.570 -0.065 0.000 2.382 463 I HA 0.292 4.462 4.170 -0.000 0.000 0.285 463 I C -1.145 174.959 176.117 -0.022 0.000 1.007 463 I CA -0.594 60.730 61.300 0.040 0.000 1.142 463 I CB 0.884 38.926 38.000 0.070 0.000 1.289 463 I HN 0.369 nan 8.210 nan 0.000 0.453 464 Y N 4.872 125.287 120.300 0.191 0.000 2.326 464 Y HA 0.228 4.778 4.550 -0.000 0.000 0.337 464 Y C 0.585 176.605 175.900 0.200 0.000 1.023 464 Y CA -0.458 57.743 58.100 0.168 0.000 1.143 464 Y CB 0.972 39.522 38.460 0.150 0.000 1.183 464 Y HN 0.498 nan 8.280 nan 0.000 0.485 465 N N 4.112 123.007 118.700 0.325 0.000 2.546 465 N HA 0.100 4.840 4.740 -0.000 0.000 0.238 465 N C -1.516 174.161 175.510 0.279 0.000 0.984 465 N CA -0.546 52.665 53.050 0.267 0.000 0.935 465 N CB 0.455 39.030 38.487 0.146 0.000 1.122 465 N HN 0.690 nan 8.380 nan 0.000 0.510 466 W N 3.979 125.375 121.300 0.159 0.000 2.331 466 W HA 0.260 4.920 4.660 -0.000 0.000 0.306 466 W C -0.658 175.938 176.519 0.129 0.000 1.162 466 W CA -0.375 57.026 57.345 0.093 0.000 1.232 466 W CB 0.791 30.264 29.460 0.022 0.000 1.235 466 W HN 0.384 nan 8.180 nan 0.000 0.479 467 Q N 4.686 124.249 119.800 -0.395 0.000 2.333 467 Q HA 0.431 4.771 4.340 -0.000 0.000 0.265 467 Q C 0.408 175.994 176.000 -0.690 0.000 0.989 467 Q CA -0.786 54.819 55.803 -0.329 0.000 0.842 467 Q CB 1.792 30.402 28.738 -0.213 0.000 1.262 467 Q HN 0.665 nan 8.270 nan 0.000 0.451 468 G N 0.886 109.436 108.800 -0.417 0.000 2.442 468 G HA2 0.297 4.257 3.960 -0.000 0.000 0.249 468 G HA3 0.297 4.257 3.960 -0.000 0.000 0.249 468 G C 0.771 175.553 174.900 -0.197 0.000 1.263 468 G CA -0.054 44.838 45.100 -0.347 0.000 0.846 468 G HN 0.761 nan 8.290 nan 0.000 0.555 469 A N 1.215 123.941 122.820 -0.157 0.000 2.070 469 A HA -0.029 4.291 4.320 -0.000 0.000 0.220 469 A C 1.855 179.416 177.584 -0.038 0.000 1.159 469 A CA 1.296 53.275 52.037 -0.096 0.000 0.656 469 A CB -0.051 18.908 19.000 -0.069 0.000 0.800 469 A HN 0.670 nan 8.150 nan 0.000 0.453 470 Q N -0.659 119.146 119.800 0.008 0.000 2.155 470 Q HA 0.223 4.563 4.340 -0.000 0.000 0.220 470 Q C 0.002 176.018 176.000 0.027 0.000 0.819 470 Q CA -0.234 55.583 55.803 0.024 0.000 1.032 470 Q CB 0.671 29.442 28.738 0.054 0.000 1.151 470 Q HN 0.400 nan 8.270 nan 0.000 0.487 471 S N 1.511 117.218 115.700 0.011 0.000 2.565 471 S HA 0.179 4.649 4.470 -0.000 0.000 0.274 471 S C 0.383 174.976 174.600 -0.012 0.000 1.309 471 S CA -0.470 57.735 58.200 0.009 0.000 1.043 471 S CB 0.664 63.863 63.200 -0.001 0.000 0.939 471 S HN 0.373 nan 8.310 nan 0.000 0.504 472 T N 3.436 117.984 114.554 -0.010 0.000 2.918 472 T HA 0.175 4.525 4.350 -0.000 0.000 0.302 472 T C 1.287 175.973 174.700 -0.024 0.000 1.045 472 T CA -0.567 61.523 62.100 -0.016 0.000 1.114 472 T CB 0.569 69.429 68.868 -0.013 0.000 0.965 472 T HN 0.638 nan 8.240 nan 0.000 0.540 473 Q N 1.607 121.391 119.800 -0.027 0.000 2.077 473 Q HA -0.175 4.165 4.340 -0.000 0.000 0.206 473 Q C 2.134 178.116 176.000 -0.029 0.000 0.989 473 Q CA 2.341 58.126 55.803 -0.031 0.000 0.853 473 Q CB -0.617 28.103 28.738 -0.030 0.000 0.907 473 Q HN 0.982 nan 8.270 nan 0.000 0.418 474 D N 0.141 120.526 120.400 -0.025 0.000 2.104 474 D HA -0.209 4.431 4.640 -0.000 0.000 0.194 474 D C 1.448 177.733 176.300 -0.026 0.000 0.994 474 D CA 1.348 55.333 54.000 -0.025 0.000 0.830 474 D CB -0.454 40.333 40.800 -0.022 0.000 0.959 474 D HN 0.392 nan 8.370 nan 0.000 0.452 475 E N 0.212 120.397 120.200 -0.025 0.000 2.107 475 E HA -0.053 4.296 4.350 -0.000 0.000 0.191 475 E C 2.488 179.073 176.600 -0.025 0.000 0.982 475 E CA 0.407 56.792 56.400 -0.026 0.000 0.809 475 E CB 0.182 29.866 29.700 -0.026 0.000 0.756 475 E HN 0.132 nan 8.360 nan 0.000 0.459 476 V N 1.578 121.475 119.914 -0.029 0.000 2.295 476 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 476 V C 2.379 178.455 176.094 -0.030 0.000 1.049 476 V CA 1.954 64.234 62.300 -0.033 0.000 1.024 476 V CB -0.724 31.070 31.823 -0.047 0.000 0.648 476 V HN 0.307 nan 8.190 nan 0.000 0.447 477 A N 0.040 122.840 122.820 -0.032 0.000 1.883 477 A HA -0.174 4.145 4.320 -0.000 0.000 0.217 477 A C 2.417 179.984 177.584 -0.029 0.000 1.186 477 A CA 2.288 54.305 52.037 -0.032 0.000 0.624 477 A CB -0.905 18.076 19.000 -0.032 0.000 0.822 477 A HN 0.603 nan 8.150 nan 0.000 0.444 478 A N 0.158 122.961 122.820 -0.028 0.000 1.972 478 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 478 A C 2.478 180.045 177.584 -0.027 0.000 1.169 478 A CA 2.305 54.324 52.037 -0.030 0.000 0.635 478 A CB -0.871 18.110 19.000 -0.031 0.000 0.810 478 A HN 1.028 nan 8.150 nan 0.000 0.446 479 S N -0.115 115.577 115.700 -0.015 0.000 2.406 479 S HA 0.138 4.607 4.470 -0.000 0.000 0.228 479 S C 2.064 176.667 174.600 0.006 0.000 1.020 479 S CA 1.137 59.341 58.200 0.006 0.000 0.965 479 S CB -0.526 62.695 63.200 0.035 0.000 0.798 479 S HN 0.809 nan 8.310 nan 0.000 0.488 480 A N 2.098 124.914 122.820 -0.007 0.000 1.873 480 A HA 0.168 4.488 4.320 -0.000 0.000 0.215 480 A C 2.218 179.789 177.584 -0.022 0.000 1.186 480 A CA 1.306 53.336 52.037 -0.012 0.000 0.616 480 A CB -0.823 18.163 19.000 -0.024 0.000 0.823 480 A HN 0.560 nan 8.150 nan 0.000 0.442 481 I N -0.240 120.312 120.570 -0.030 0.000 2.179 481 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 481 I C 2.321 178.410 176.117 -0.047 0.000 1.088 481 I CA 1.167 62.444 61.300 -0.038 0.000 1.357 481 I CB -0.343 37.633 38.000 -0.039 0.000 1.051 481 I HN 0.272 nan 8.210 nan 0.000 0.409 482 L N -0.085 121.106 121.223 -0.052 0.000 2.131 482 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 482 L C 2.574 179.401 176.870 -0.072 0.000 1.092 482 L CA 1.279 56.072 54.840 -0.079 0.000 0.759 482 L CB -0.831 41.169 42.059 -0.098 0.000 0.903 482 L HN 0.276 nan 8.230 nan 0.000 0.435 483 T N -0.161 114.373 114.554 -0.034 0.000 2.701 483 T HA -0.140 4.210 4.350 -0.000 0.000 0.263 483 T C 2.015 176.700 174.700 -0.025 0.000 1.040 483 T CA 1.380 63.475 62.100 -0.009 0.000 1.147 483 T CB -0.171 68.711 68.868 0.023 0.000 0.865 483 T HN 0.443 nan 8.240 nan 0.000 0.426 484 A N 0.876 123.677 122.820 -0.033 0.000 1.930 484 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 484 A C 2.220 179.774 177.584 -0.051 0.000 1.175 484 A CA 1.642 53.654 52.037 -0.041 0.000 0.627 484 A CB -0.644 18.332 19.000 -0.042 0.000 0.815 484 A HN 0.532 nan 8.150 nan 0.000 0.443 485 Q N -1.158 118.608 119.800 -0.056 0.000 2.119 485 Q HA -0.115 4.225 4.340 -0.000 0.000 0.201 485 Q C 1.953 177.912 176.000 -0.070 0.000 0.972 485 Q CA 1.342 57.107 55.803 -0.064 0.000 0.847 485 Q CB -0.157 28.539 28.738 -0.071 0.000 0.903 485 Q HN 0.581 nan 8.270 nan 0.000 0.433 486 L N 0.940 122.118 121.223 -0.075 0.000 2.056 486 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 486 L C 1.887 178.729 176.870 -0.047 0.000 1.078 486 L CA 2.105 56.903 54.840 -0.071 0.000 0.749 486 L CB -0.530 41.485 42.059 -0.075 0.000 0.901 486 L HN 0.238 nan 8.230 nan 0.000 0.433 487 D N -0.465 119.907 120.400 -0.045 0.000 2.123 487 D HA -0.290 4.349 4.640 -0.000 0.000 0.196 487 D C 2.018 178.274 176.300 -0.074 0.000 0.992 487 D CA 1.739 55.706 54.000 -0.056 0.000 0.833 487 D CB -0.048 40.718 40.800 -0.057 0.000 0.954 487 D HN 0.621 nan 8.370 nan 0.000 0.455 488 E N 0.177 120.336 120.200 -0.069 0.000 2.017 488 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 488 E C 1.850 178.410 176.600 -0.066 0.000 0.997 488 E CA 1.360 57.717 56.400 -0.070 0.000 0.804 488 E CB -0.261 29.402 29.700 -0.061 0.000 0.757 488 E HN 0.554 nan 8.360 nan 0.000 0.448 489 E N 0.128 120.293 120.200 -0.057 0.000 2.515 489 E HA -0.147 4.203 4.350 -0.000 0.000 0.201 489 E C 1.460 178.034 176.600 -0.045 0.000 1.071 489 E CA 0.263 56.634 56.400 -0.048 0.000 0.880 489 E CB 0.101 29.774 29.700 -0.044 0.000 0.828 489 E HN 0.237 nan 8.360 nan 0.000 0.540 490 L N 0.119 121.310 121.223 -0.054 0.000 2.640 490 L HA 0.330 4.670 4.340 -0.000 0.000 0.230 490 L C 1.202 178.018 176.870 -0.089 0.000 1.123 490 L CA 1.043 55.851 54.840 -0.053 0.000 0.900 490 L CB 0.663 42.699 42.059 -0.038 0.000 1.146 490 L HN 0.357 nan 8.230 nan 0.000 0.484 491 G N -1.560 107.180 108.800 -0.100 0.000 2.168 491 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.197 491 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.197 491 G C 1.041 175.829 174.900 -0.186 0.000 0.997 491 G CA -0.112 44.908 45.100 -0.133 0.000 0.658 491 G HN 0.857 nan 8.290 nan 0.000 0.513 492 G N -1.289 107.410 108.800 -0.167 0.000 2.187 492 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.261 492 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.261 492 G C 1.031 175.753 174.900 -0.298 0.000 1.000 492 G CA 1.869 46.857 45.100 -0.187 0.000 0.718 492 G HN 1.429 nan 8.290 nan 0.000 0.519 493 T N 0.466 114.800 114.554 -0.368 0.000 3.010 493 T HA 0.139 4.489 4.350 -0.000 0.000 0.252 493 T C -0.870 173.641 174.700 -0.315 0.000 1.047 493 T CA 0.953 62.699 62.100 -0.589 0.000 1.140 493 T CB -0.108 68.379 68.868 -0.636 0.000 0.885 493 T HN 0.402 nan 8.240 nan 0.000 0.464 494 P HA 0.159 nan 4.420 nan 0.000 0.271 494 P C -0.646 176.636 177.300 -0.029 0.000 1.238 494 P CA -0.176 62.891 63.100 -0.055 0.000 0.794 494 P CB 0.477 32.161 31.700 -0.026 0.000 0.959 495 V N 1.494 121.424 119.914 0.028 0.000 2.607 495 V HA 0.203 4.323 4.120 -0.000 0.000 0.289 495 V C 0.294 176.365 176.094 -0.037 0.000 1.053 495 V CA 0.060 62.367 62.300 0.012 0.000 0.996 495 V CB 0.880 32.731 31.823 0.046 0.000 0.995 495 V HN 0.454 nan 8.190 nan 0.000 0.476 496 Q N 2.594 122.369 119.800 -0.043 0.000 2.339 496 Q HA 0.479 4.819 4.340 -0.000 0.000 0.268 496 Q C -0.967 175.003 176.000 -0.050 0.000 1.027 496 Q CA -0.137 55.636 55.803 -0.049 0.000 0.759 496 Q CB 1.675 30.391 28.738 -0.037 0.000 1.244 496 Q HN 0.748 nan 8.270 nan 0.000 0.464 497 S N 3.742 119.402 115.700 -0.068 0.000 2.478 497 S HA 0.472 4.942 4.470 -0.000 0.000 0.312 497 S C -1.042 173.602 174.600 0.074 0.000 1.094 497 S CA -0.713 57.479 58.200 -0.014 0.000 1.081 497 S CB 0.893 64.070 63.200 -0.037 0.000 1.007 497 S HN 0.698 nan 8.310 nan 0.000 0.475 498 R N 3.724 124.248 120.500 0.040 0.000 2.294 498 R HA 0.693 5.033 4.340 -0.000 0.000 0.319 498 R C -1.043 175.268 176.300 0.019 0.000 0.984 498 R CA -0.467 55.653 56.100 0.033 0.000 0.861 498 R CB 1.151 31.442 30.300 -0.015 0.000 1.104 498 R HN 0.494 nan 8.270 nan 0.000 0.451 499 V N 3.868 123.792 119.914 0.016 0.000 2.876 499 V HA 0.611 4.731 4.120 -0.000 0.000 0.312 499 V C -1.351 174.598 176.094 -0.242 0.000 1.085 499 V CA -0.612 61.656 62.300 -0.053 0.000 0.945 499 V CB 2.310 34.164 31.823 0.052 0.000 1.017 499 V HN 0.545 nan 8.190 nan 0.000 0.428 500 V N 5.129 124.874 119.914 -0.282 0.000 2.630 500 V HA 0.449 4.569 4.120 -0.000 0.000 0.305 500 V C 0.265 176.064 176.094 -0.492 0.000 1.046 500 V CA -0.519 61.528 62.300 -0.421 0.000 0.934 500 V CB 1.599 33.262 31.823 -0.265 0.000 1.003 500 V HN 1.134 nan 8.190 nan 0.000 0.451 501 Q N 2.154 121.509 119.800 -0.742 0.000 2.304 501 Q HA 0.202 4.542 4.340 -0.000 0.000 0.315 501 Q C 1.179 177.116 176.000 -0.105 0.000 1.075 501 Q CA 1.407 56.950 55.803 -0.433 0.000 0.988 501 Q CB 0.111 28.605 28.738 -0.407 0.000 1.146 501 Q HN 1.276 nan 8.270 nan 0.000 0.383 502 G N 3.637 112.467 108.800 0.051 0.000 2.217 502 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.246 502 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.246 502 G C 0.325 175.219 174.900 -0.010 0.000 0.990 502 G CA 0.279 45.390 45.100 0.017 0.000 0.627 502 G HN 0.550 nan 8.290 nan 0.000 0.522 503 K N 1.159 121.540 120.400 -0.030 0.000 3.202 503 K HA 0.332 4.652 4.320 -0.000 0.000 0.206 503 K C 0.020 176.606 176.600 -0.024 0.000 1.142 503 K CA -0.222 56.039 56.287 -0.042 0.000 0.979 503 K CB 0.624 33.075 32.500 -0.081 0.000 0.863 503 K HN 0.461 nan 8.250 nan 0.000 0.479 504 E N 2.490 122.697 120.200 0.012 0.000 2.376 504 E HA 0.078 4.428 4.350 -0.000 0.000 0.266 504 E C -2.163 174.423 176.600 -0.023 0.000 1.009 504 E CA -1.317 55.088 56.400 0.009 0.000 0.902 504 E CB 0.322 30.019 29.700 -0.005 0.000 0.972 504 E HN 0.149 nan 8.360 nan 0.000 0.439 505 P HA 0.068 nan 4.420 nan 0.000 0.277 505 P C -0.074 177.215 177.300 -0.019 0.000 1.240 505 P CA -0.252 62.848 63.100 0.001 0.000 0.798 505 P CB 1.541 33.272 31.700 0.052 0.000 0.979 506 A N 2.010 124.841 122.820 0.018 0.000 1.903 506 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 506 A C 2.224 179.796 177.584 -0.019 0.000 1.191 506 A CA 2.407 54.441 52.037 -0.004 0.000 0.638 506 A CB -2.067 16.947 19.000 0.023 0.000 0.823 506 A HN 0.763 nan 8.150 nan 0.000 0.451 507 H N -0.802 118.240 119.070 -0.046 0.000 2.387 507 H HA -0.111 4.445 4.556 -0.000 0.000 0.299 507 H C 1.753 176.948 175.328 -0.222 0.000 1.099 507 H CA 1.780 57.787 56.048 -0.068 0.000 1.315 507 H CB -0.238 29.561 29.762 0.062 0.000 1.380 507 H HN 0.351 nan 8.280 nan 0.000 0.513 508 L N -0.261 120.740 121.223 -0.369 0.000 2.083 508 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 508 L C 2.096 178.742 176.870 -0.373 0.000 1.083 508 L CA 1.651 56.105 54.840 -0.644 0.000 0.752 508 L CB -0.523 41.078 42.059 -0.764 0.000 0.899 508 L HN 0.373 nan 8.230 nan 0.000 0.433 509 M N -1.219 118.247 119.600 -0.224 0.000 2.296 509 M HA -0.126 4.354 4.480 -0.000 0.000 0.265 509 M C 1.770 178.011 176.300 -0.097 0.000 1.064 509 M CA 1.469 56.717 55.300 -0.087 0.000 1.109 509 M CB -0.175 32.373 32.600 -0.086 0.000 1.396 509 M HN 0.243 nan 8.290 nan 0.000 0.430 510 S N 0.115 115.660 115.700 -0.259 0.000 2.603 510 S HA 0.071 4.541 4.470 -0.000 0.000 0.220 510 S C 1.424 175.774 174.600 -0.417 0.000 0.967 510 S CA 0.289 58.329 58.200 -0.267 0.000 0.920 510 S CB -0.094 62.960 63.200 -0.245 0.000 0.773 510 S HN 0.245 nan 8.310 nan 0.000 0.529 511 L N 0.680 121.454 121.223 -0.748 0.000 2.456 511 L HA 0.163 4.503 4.340 -0.000 0.000 0.224 511 L C 0.183 176.413 176.870 -1.068 0.000 1.148 511 L CA 1.097 55.311 54.840 -1.044 0.000 0.825 511 L CB -0.986 40.241 42.059 -1.387 0.000 0.937 511 L HN 0.321 nan 8.230 nan 0.000 0.450 512 F N -0.784 119.120 119.950 -0.077 0.000 2.848 512 F HA 0.553 5.080 4.527 -0.000 0.000 0.321 512 F C 1.571 177.356 175.800 -0.024 0.000 1.281 512 F CA -0.174 57.809 58.000 -0.029 0.000 1.209 512 F CB -0.642 38.333 39.000 -0.042 0.000 1.152 512 F HN 0.090 nan 8.300 nan 0.000 0.521 513 G N 1.233 110.051 108.800 0.029 0.000 2.596 513 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.295 513 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.295 513 G C 1.292 176.212 174.900 0.033 0.000 1.240 513 G CA 0.049 45.170 45.100 0.035 0.000 0.985 513 G HN 0.705 nan 8.290 nan 0.000 0.555 514 G N -0.158 108.661 108.800 0.032 0.000 2.777 514 G HA2 0.353 4.312 3.960 -0.000 0.000 0.211 514 G HA3 0.353 4.312 3.960 -0.000 0.000 0.211 514 G C 0.790 175.701 174.900 0.019 0.000 1.149 514 G CA 1.210 46.322 45.100 0.020 0.000 0.785 514 G HN 0.622 nan 8.290 nan 0.000 0.536 515 K N 1.589 122.011 120.400 0.038 0.000 2.355 515 K HA 0.282 4.602 4.320 -0.000 0.000 0.270 515 K C -2.065 174.550 176.600 0.025 0.000 1.003 515 K CA -1.858 54.442 56.287 0.020 0.000 0.957 515 K CB 0.932 33.448 32.500 0.026 0.000 0.939 515 K HN 0.084 nan 8.250 nan 0.000 0.482 516 P HA 0.130 nan 4.420 nan 0.000 0.279 516 P C -0.744 176.481 177.300 -0.125 0.000 1.252 516 P CA -0.580 62.484 63.100 -0.060 0.000 0.811 516 P CB 0.817 32.461 31.700 -0.095 0.000 1.035 517 M N 3.093 122.618 119.600 -0.125 0.000 2.220 517 M HA 0.182 4.662 4.480 -0.000 0.000 0.343 517 M C -0.493 175.627 176.300 -0.301 0.000 1.470 517 M CA -0.221 54.914 55.300 -0.276 0.000 1.161 517 M CB -0.265 32.219 32.600 -0.193 0.000 1.737 517 M HN 0.153 nan 8.290 nan 0.000 0.464 518 I N 6.350 126.679 120.570 -0.402 0.000 2.352 518 I HA 0.227 4.397 4.170 -0.000 0.000 0.290 518 I C -0.327 175.447 176.117 -0.571 0.000 1.036 518 I CA -0.352 60.653 61.300 -0.492 0.000 1.336 518 I CB 0.964 38.586 38.000 -0.630 0.000 1.407 518 I HN 0.487 nan 8.210 nan 0.000 0.497 519 V N 8.800 128.444 119.914 -0.450 0.000 2.409 519 V HA 0.438 4.558 4.120 -0.000 0.000 0.290 519 V C -1.125 174.830 176.094 -0.231 0.000 1.017 519 V CA -0.427 61.670 62.300 -0.337 0.000 0.841 519 V CB 1.201 32.970 31.823 -0.091 0.000 1.003 519 V HN 0.496 nan 8.190 nan 0.000 0.426 520 Y N 5.425 125.710 120.300 -0.027 0.000 2.313 520 Y HA 0.380 4.929 4.550 -0.000 0.000 0.332 520 Y C 1.504 177.453 175.900 0.082 0.000 1.071 520 Y CA -0.474 57.640 58.100 0.023 0.000 1.169 520 Y CB 1.504 39.906 38.460 -0.095 0.000 1.192 520 Y HN 0.741 nan 8.280 nan 0.000 0.487 521 K N 1.175 121.693 120.400 0.195 0.000 2.555 521 K HA 0.103 4.423 4.320 -0.000 0.000 0.193 521 K C 1.117 177.834 176.600 0.195 0.000 1.032 521 K CA 0.471 56.858 56.287 0.165 0.000 1.004 521 K CB -0.268 32.274 32.500 0.070 0.000 0.804 521 K HN 0.829 nan 8.250 nan 0.000 0.496 522 G N 1.189 110.139 108.800 0.250 0.000 1.990 522 G HA2 0.019 3.979 3.960 -0.000 0.000 0.705 522 G HA3 0.019 3.979 3.960 -0.000 0.000 0.705 522 G C 0.623 175.679 174.900 0.260 0.000 1.350 522 G CA 0.281 45.529 45.100 0.247 0.000 1.103 522 G HN 0.397 nan 8.290 nan 0.000 0.530 523 G N -2.188 106.784 108.800 0.287 0.000 3.374 523 G HA2 0.469 4.429 3.960 -0.000 0.000 0.200 523 G HA3 0.469 4.429 3.960 -0.000 0.000 0.200 523 G C -0.010 175.008 174.900 0.197 0.000 1.801 523 G CA 0.904 46.116 45.100 0.187 0.000 0.842 523 G HN 0.908 nan 8.290 nan 0.000 0.688 524 T N -1.401 113.147 114.554 -0.010 0.000 2.916 524 T HA 0.461 4.811 4.350 -0.000 0.000 0.292 524 T C 0.876 175.260 174.700 -0.525 0.000 1.055 524 T CA 0.361 62.380 62.100 -0.135 0.000 1.009 524 T CB 1.676 70.505 68.868 -0.066 0.000 1.118 524 T HN 0.630 nan 8.240 nan 0.000 0.497 525 S N 2.194 117.581 115.700 -0.523 0.000 2.540 525 S HA 0.200 4.670 4.470 -0.000 0.000 0.218 525 S C 1.017 175.494 174.600 -0.206 0.000 0.977 525 S CA -0.663 57.200 58.200 -0.560 0.000 0.918 525 S CB -0.276 62.709 63.200 -0.358 0.000 0.806 525 S HN 0.834 nan 8.310 nan 0.000 0.496 526 R N 1.355 121.774 120.500 -0.134 0.000 3.228 526 R HA 0.311 4.651 4.340 -0.000 0.000 0.219 526 R C 0.484 176.744 176.300 -0.067 0.000 1.071 526 R CA -0.504 55.558 56.100 -0.063 0.000 1.103 526 R CB -0.091 30.183 30.300 -0.043 0.000 0.854 526 R HN 0.010 nan 8.270 nan 0.000 0.479 527 E N 0.496 120.672 120.200 -0.041 0.000 4.034 527 E HA 0.026 4.376 4.350 -0.000 0.000 0.567 527 E C 0.539 177.112 176.600 -0.046 0.000 0.339 527 E CA 0.843 57.221 56.400 -0.036 0.000 3.626 527 E CB -1.017 28.671 29.700 -0.021 0.000 2.218 527 E HN 0.744 nan 8.360 nan 0.000 0.331 528 G N -0.306 108.474 108.800 -0.034 0.000 2.118 528 G HA2 0.217 4.177 3.960 -0.000 0.000 0.268 528 G HA3 0.217 4.177 3.960 -0.000 0.000 0.268 528 G C 0.416 175.291 174.900 -0.041 0.000 1.006 528 G CA 0.742 45.822 45.100 -0.033 0.000 1.066 528 G HN 0.364 nan 8.290 nan 0.000 0.388 529 G N 2.136 110.905 108.800 -0.052 0.000 5.648 529 G HA2 0.162 4.122 3.960 -0.000 0.000 0.192 529 G HA3 0.162 4.122 3.960 -0.000 0.000 0.192 529 G C 0.129 174.994 174.900 -0.058 0.000 0.694 529 G CA -0.607 44.457 45.100 -0.059 0.000 0.654 529 G HN 0.640 nan 8.290 nan 0.000 0.324 530 Q N 1.462 121.237 119.800 -0.042 0.000 2.301 530 Q HA 0.398 4.738 4.340 -0.000 0.000 0.262 530 Q C -0.405 175.584 176.000 -0.019 0.000 1.168 530 Q CA 0.707 56.491 55.803 -0.033 0.000 0.908 530 Q CB 0.343 29.066 28.738 -0.025 0.000 1.348 530 Q HN 0.218 nan 8.270 nan 0.000 0.441 531 T N 0.260 114.806 114.554 -0.012 0.000 2.942 531 T HA 0.492 4.842 4.350 -0.000 0.000 0.327 531 T C -0.182 174.534 174.700 0.027 0.000 1.360 531 T CA -0.061 62.044 62.100 0.008 0.000 1.055 531 T CB 1.723 70.599 68.868 0.013 0.000 1.261 531 T HN 0.526 nan 8.240 nan 0.000 0.485 532 A N 1.862 124.699 122.820 0.029 0.000 3.080 532 A HA -0.064 4.255 4.320 -0.000 0.000 0.254 532 A C -1.514 176.084 177.584 0.024 0.000 1.277 532 A CA 0.540 52.599 52.037 0.037 0.000 1.065 532 A CB -2.270 16.774 19.000 0.074 0.000 1.160 532 A HN 0.608 nan 8.150 nan 0.000 0.886 533 P HA 0.492 nan 4.420 nan 0.000 0.244 533 P C 0.261 177.567 177.300 0.010 0.000 1.769 533 P CA 0.921 64.025 63.100 0.007 0.000 1.102 533 P CB -0.144 31.556 31.700 -0.001 0.000 1.937 534 A N 2.506 125.334 122.820 0.013 0.000 2.445 534 A HA 0.255 4.574 4.320 -0.000 0.000 0.242 534 A C 1.722 179.313 177.584 0.012 0.000 1.075 534 A CA 0.148 52.190 52.037 0.007 0.000 0.777 534 A CB 0.264 19.263 19.000 -0.002 0.000 1.013 534 A HN 0.487 nan 8.150 nan 0.000 0.493 535 S N 1.023 116.727 115.700 0.007 0.000 2.402 535 S HA -0.020 4.450 4.470 -0.000 0.000 0.229 535 S C 0.717 175.325 174.600 0.013 0.000 1.021 535 S CA 1.510 59.716 58.200 0.010 0.000 0.974 535 S CB -0.310 62.894 63.200 0.006 0.000 0.800 535 S HN 0.731 nan 8.310 nan 0.000 0.484 536 T N 2.259 116.816 114.554 0.005 0.000 2.848 536 T HA 0.656 5.006 4.350 -0.000 0.000 0.285 536 T C -0.818 173.874 174.700 -0.014 0.000 0.995 536 T CA -0.747 61.354 62.100 0.001 0.000 0.970 536 T CB 1.722 70.580 68.868 -0.016 0.000 0.976 536 T HN 0.301 nan 8.240 nan 0.000 0.441 537 R N 1.676 122.177 120.500 0.001 0.000 2.621 537 R HA 0.667 5.007 4.340 -0.000 0.000 0.284 537 R C -1.644 174.613 176.300 -0.072 0.000 0.998 537 R CA -1.020 55.041 56.100 -0.066 0.000 0.895 537 R CB 1.979 32.273 30.300 -0.011 0.000 1.195 537 R HN 0.329 nan 8.270 nan 0.000 0.450 538 L N 2.700 123.798 121.223 -0.208 0.000 2.329 538 L HA 0.594 4.934 4.340 -0.000 0.000 0.279 538 L C -1.604 175.110 176.870 -0.260 0.000 1.014 538 L CA -0.453 54.331 54.840 -0.093 0.000 0.814 538 L CB 1.182 43.215 42.059 -0.043 0.000 1.257 538 L HN 0.524 nan 8.230 nan 0.000 0.424 539 F N 3.271 123.269 119.950 0.081 0.000 2.499 539 F HA 0.430 4.957 4.527 -0.000 0.000 0.333 539 F C -0.012 175.709 175.800 -0.133 0.000 1.138 539 F CA -0.455 57.542 58.000 -0.005 0.000 0.945 539 F CB 1.710 40.701 39.000 -0.015 0.000 1.181 539 F HN 0.474 nan 8.300 nan 0.000 0.435 540 Q N 3.353 123.072 119.800 -0.136 0.000 2.294 540 Q HA 0.525 4.865 4.340 -0.000 0.000 0.257 540 Q C -1.483 174.294 176.000 -0.372 0.000 0.955 540 Q CA -0.433 54.965 55.803 -0.675 0.000 0.936 540 Q CB 1.266 29.685 28.738 -0.532 0.000 1.188 540 Q HN 0.541 nan 8.270 nan 0.000 0.420 541 V N 5.979 125.652 119.914 -0.401 0.000 2.294 541 V HA 0.394 4.514 4.120 -0.000 0.000 0.272 541 V C 0.149 176.150 176.094 -0.155 0.000 1.027 541 V CA -0.490 61.698 62.300 -0.188 0.000 0.823 541 V CB 0.817 32.576 31.823 -0.106 0.000 1.030 541 V HN 0.773 nan 8.190 nan 0.000 0.457 542 R N 2.517 122.947 120.500 -0.115 0.000 2.573 542 R HA 0.859 5.199 4.340 -0.000 0.000 0.272 542 R C -0.289 175.984 176.300 -0.045 0.000 1.009 542 R CA -0.322 55.739 56.100 -0.064 0.000 1.059 542 R CB 1.867 32.138 30.300 -0.048 0.000 1.112 542 R HN 0.755 nan 8.270 nan 0.000 0.517 543 A N 0.884 123.690 122.820 -0.023 0.000 2.401 543 A HA 0.521 4.841 4.320 -0.000 0.000 0.310 543 A C -0.793 176.778 177.584 -0.022 0.000 1.075 543 A CA -0.696 51.325 52.037 -0.028 0.000 0.746 543 A CB 1.626 20.613 19.000 -0.021 0.000 1.277 543 A HN 0.757 nan 8.150 nan 0.000 0.425 544 S N 0.200 115.872 115.700 -0.045 0.000 2.690 544 S HA 0.485 4.954 4.470 -0.000 0.000 0.291 544 S C 1.216 175.778 174.600 -0.063 0.000 1.138 544 S CA 0.155 58.331 58.200 -0.040 0.000 1.013 544 S CB 1.293 64.458 63.200 -0.058 0.000 1.053 544 S HN 1.720 nan 8.310 nan 0.000 0.539 545 S N 1.072 116.764 115.700 -0.013 0.000 2.420 545 S HA -0.193 4.276 4.470 -0.000 0.000 0.237 545 S C 1.752 176.220 174.600 -0.220 0.000 1.023 545 S CA 1.462 59.663 58.200 0.002 0.000 0.991 545 S CB -1.342 61.982 63.200 0.206 0.000 0.792 545 S HN 1.118 nan 8.310 nan 0.000 0.488 546 S N 0.194 115.633 115.700 -0.435 0.000 2.522 546 S HA 0.447 4.917 4.470 -0.000 0.000 0.227 546 S C 1.706 175.876 174.600 -0.717 0.000 0.986 546 S CA 0.564 58.078 58.200 -1.144 0.000 0.929 546 S CB -0.465 62.084 63.200 -1.084 0.000 0.769 546 S HN 1.456 nan 8.310 nan 0.000 0.529 547 G N 0.795 109.407 108.800 -0.314 0.000 2.232 547 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.226 547 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.226 547 G C 0.345 175.175 174.900 -0.118 0.000 0.996 547 G CA -0.108 44.898 45.100 -0.157 0.000 0.626 547 G HN 1.180 nan 8.290 nan 0.000 0.509 548 A N 0.171 122.900 122.820 -0.150 0.000 2.386 548 A HA 0.763 5.083 4.320 -0.000 0.000 0.246 548 A C 0.828 178.367 177.584 -0.075 0.000 1.089 548 A CA 1.623 53.599 52.037 -0.101 0.000 0.790 548 A CB 0.304 19.233 19.000 -0.118 0.000 1.042 548 A HN 1.996 nan 8.150 nan 0.000 0.497 549 T N -1.549 112.971 114.554 -0.057 0.000 2.843 549 T HA 0.753 5.103 4.350 -0.000 0.000 0.302 549 T C -0.778 173.884 174.700 -0.063 0.000 1.232 549 T CA -0.971 61.095 62.100 -0.057 0.000 1.009 549 T CB 1.500 70.336 68.868 -0.053 0.000 1.254 549 T HN 1.213 nan 8.240 nan 0.000 0.504 550 R N 0.145 120.599 120.500 -0.076 0.000 2.651 550 R HA 0.808 5.148 4.340 -0.000 0.000 0.278 550 R C -1.494 174.746 176.300 -0.099 0.000 1.010 550 R CA -1.244 54.798 56.100 -0.097 0.000 0.896 550 R CB 1.837 32.081 30.300 -0.093 0.000 1.211 550 R HN 0.876 nan 8.270 nan 0.000 0.456 551 A N 2.844 125.593 122.820 -0.118 0.000 2.258 551 A HA 0.558 4.878 4.320 -0.000 0.000 0.316 551 A C -0.660 176.925 177.584 0.002 0.000 1.279 551 A CA -0.742 51.252 52.037 -0.072 0.000 0.876 551 A CB 1.231 20.144 19.000 -0.144 0.000 1.170 551 A HN 0.434 nan 8.150 nan 0.000 0.520 552 V N 2.845 122.783 119.914 0.039 0.000 2.417 552 V HA 0.272 4.392 4.120 -0.000 0.000 0.291 552 V C 0.352 176.464 176.094 0.030 0.000 1.024 552 V CA -0.640 61.684 62.300 0.040 0.000 0.861 552 V CB 1.461 33.284 31.823 -0.001 0.000 0.985 552 V HN 0.998 nan 8.190 nan 0.000 0.436 553 E N 4.736 124.909 120.200 -0.045 0.000 2.299 553 E HA 0.276 4.626 4.350 -0.000 0.000 0.272 553 E C -0.922 175.553 176.600 -0.207 0.000 1.043 553 E CA -0.277 55.883 56.400 -0.400 0.000 0.895 553 E CB 0.502 29.950 29.700 -0.421 0.000 1.011 553 E HN 0.444 nan 8.360 nan 0.000 0.432 554 I N 4.433 124.875 120.570 -0.213 0.000 2.957 554 I HA 0.295 4.465 4.170 -0.000 0.000 0.310 554 I C 0.425 176.477 176.117 -0.108 0.000 1.063 554 I CA -1.140 60.102 61.300 -0.097 0.000 1.033 554 I CB 1.395 39.384 38.000 -0.017 0.000 1.230 554 I HN 0.662 nan 8.210 nan 0.000 0.447 555 I N 6.179 126.710 120.570 -0.065 0.000 2.618 555 I HA 0.125 4.295 4.170 -0.000 0.000 0.284 555 I C -1.657 174.421 176.117 -0.063 0.000 1.146 555 I CA -1.287 59.975 61.300 -0.063 0.000 1.425 555 I CB 1.095 39.070 38.000 -0.042 0.000 1.383 555 I HN 0.297 nan 8.210 nan 0.000 0.562 556 P HA 0.079 nan 4.420 nan 0.000 0.262 556 P C -1.436 175.817 177.300 -0.078 0.000 1.455 556 P CA 0.369 63.417 63.100 -0.086 0.000 1.217 556 P CB -0.224 31.421 31.700 -0.091 0.000 1.625 557 K N 1.455 121.808 120.400 -0.079 0.000 2.468 557 K HA 0.486 4.806 4.320 -0.000 0.000 0.252 557 K C 0.954 177.505 176.600 -0.081 0.000 0.932 557 K CA -0.747 55.503 56.287 -0.062 0.000 0.794 557 K CB 2.169 34.643 32.500 -0.043 0.000 1.241 557 K HN -0.003 nan 8.250 nan 0.000 0.428 558 A N 2.015 124.818 122.820 -0.027 0.000 1.908 558 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 558 A C 1.567 179.104 177.584 -0.079 0.000 1.181 558 A CA 2.019 54.069 52.037 0.022 0.000 0.627 558 A CB -0.721 18.414 19.000 0.225 0.000 0.818 558 A HN 0.844 nan 8.150 nan 0.000 0.445 559 G N -1.548 107.220 108.800 -0.053 0.000 3.318 559 G HA2 0.364 4.324 3.960 -0.000 0.000 0.230 559 G HA3 0.364 4.324 3.960 -0.000 0.000 0.230 559 G C 0.595 175.442 174.900 -0.090 0.000 1.317 559 G CA 0.710 45.771 45.100 -0.065 0.000 1.197 559 G HN 0.899 nan 8.290 nan 0.000 0.514 560 A N -0.391 122.338 122.820 -0.151 0.000 2.600 560 A HA 0.501 4.821 4.320 -0.000 0.000 0.252 560 A C 0.791 178.254 177.584 -0.202 0.000 1.200 560 A CA -0.326 51.648 52.037 -0.105 0.000 0.981 560 A CB 0.300 19.272 19.000 -0.047 0.000 1.207 560 A HN 0.282 nan 8.150 nan 0.000 0.577 561 L N 0.843 121.754 121.223 -0.521 0.000 2.472 561 L HA 0.281 4.621 4.340 -0.000 0.000 0.260 561 L C 0.120 176.662 176.870 -0.546 0.000 1.209 561 L CA -0.310 53.904 54.840 -1.044 0.000 0.817 561 L CB 0.377 41.578 42.059 -1.430 0.000 1.106 561 L HN 0.355 nan 8.230 nan 0.000 0.479 562 N N -0.511 117.996 118.700 -0.321 0.000 2.425 562 N HA 0.056 4.796 4.740 -0.000 0.000 0.289 562 N C -0.025 175.744 175.510 0.431 0.000 1.074 562 N CA -0.190 52.969 53.050 0.183 0.000 0.905 562 N CB 2.090 40.808 38.487 0.385 0.000 1.586 562 N HN 0.513 nan 8.380 nan 0.000 0.490 563 S N 2.708 118.634 115.700 0.376 0.000 2.474 563 S HA 0.007 4.477 4.470 -0.000 0.000 0.235 563 S C 1.102 175.859 174.600 0.261 0.000 0.997 563 S CA 1.202 59.637 58.200 0.391 0.000 0.949 563 S CB -0.190 63.215 63.200 0.340 0.000 0.766 563 S HN 0.678 nan 8.310 nan 0.000 0.517 564 N N 0.803 119.656 118.700 0.255 0.000 2.354 564 N HA 0.019 4.759 4.740 -0.000 0.000 0.179 564 N C -0.214 175.401 175.510 0.174 0.000 1.021 564 N CA 1.042 54.202 53.050 0.182 0.000 0.887 564 N CB 0.169 38.751 38.487 0.159 0.000 0.974 564 N HN 0.631 nan 8.380 nan 0.000 0.437 565 D N -0.773 119.788 120.400 0.269 0.000 2.533 565 D HA 0.606 5.245 4.640 -0.000 0.000 0.247 565 D C -1.063 175.437 176.300 0.333 0.000 1.056 565 D CA -1.024 53.095 54.000 0.198 0.000 1.054 565 D CB 1.124 41.966 40.800 0.070 0.000 1.400 565 D HN -0.035 nan 8.370 nan 0.000 0.533 566 A N -0.151 122.776 122.820 0.179 0.000 2.302 566 A HA 0.627 4.947 4.320 -0.000 0.000 0.285 566 A C -1.199 176.553 177.584 0.280 0.000 1.105 566 A CA -0.437 51.773 52.037 0.287 0.000 0.816 566 A CB 0.040 19.115 19.000 0.125 0.000 1.067 566 A HN 0.418 nan 8.150 nan 0.000 0.489 567 F N 0.084 120.272 119.950 0.397 0.000 2.577 567 F HA 0.600 5.127 4.527 -0.000 0.000 0.318 567 F C -0.081 175.912 175.800 0.322 0.000 1.065 567 F CA -0.766 57.441 58.000 0.344 0.000 0.929 567 F CB 2.407 41.608 39.000 0.335 0.000 1.237 567 F HN 0.288 nan 8.300 nan 0.000 0.468 568 V N 3.393 123.565 119.914 0.430 0.000 2.588 568 V HA 0.501 4.621 4.120 -0.000 0.000 0.304 568 V C -1.367 174.939 176.094 0.353 0.000 1.042 568 V CA -0.691 61.819 62.300 0.351 0.000 0.877 568 V CB 2.014 33.970 31.823 0.221 0.000 0.996 568 V HN 0.516 nan 8.190 nan 0.000 0.425 569 L N 5.352 126.750 121.223 0.292 0.000 2.325 569 L HA 0.709 5.049 4.340 -0.000 0.000 0.281 569 L C -0.515 176.467 176.870 0.188 0.000 1.004 569 L CA -0.630 54.317 54.840 0.179 0.000 0.823 569 L CB 1.469 43.521 42.059 -0.012 0.000 1.236 569 L HN 0.644 nan 8.230 nan 0.000 0.415 570 K N 3.263 123.757 120.400 0.157 0.000 2.367 570 K HA 0.653 4.973 4.320 -0.000 0.000 0.263 570 K C -0.723 175.919 176.600 0.069 0.000 1.000 570 K CA -0.210 56.147 56.287 0.116 0.000 0.891 570 K CB 0.848 33.450 32.500 0.170 0.000 1.117 570 K HN 0.757 nan 8.250 nan 0.000 0.443 571 T N 1.041 115.620 114.554 0.042 0.000 2.950 571 T HA 0.488 4.837 4.350 -0.000 0.000 0.288 571 T C -1.682 173.025 174.700 0.011 0.000 1.035 571 T CA -1.954 60.165 62.100 0.031 0.000 1.028 571 T CB 1.421 70.323 68.868 0.057 0.000 1.109 571 T HN 0.366 nan 8.240 nan 0.000 0.514 572 P HA -0.054 nan 4.420 nan 0.000 0.218 572 P C 1.410 178.707 177.300 -0.005 0.000 1.149 572 P CA 0.859 63.962 63.100 0.005 0.000 0.817 572 P CB 0.011 31.716 31.700 0.008 0.000 0.785 573 S N -0.544 115.153 115.700 -0.005 0.000 2.362 573 S HA 0.265 4.735 4.470 -0.000 0.000 0.221 573 S C 1.298 175.864 174.600 -0.056 0.000 1.032 573 S CA 0.968 59.158 58.200 -0.016 0.000 0.973 573 S CB -0.231 62.972 63.200 0.005 0.000 0.849 573 S HN 0.348 nan 8.310 nan 0.000 0.465 574 A N -0.080 122.678 122.820 -0.102 0.000 2.568 574 A HA 0.837 5.156 4.320 -0.000 0.000 0.291 574 A C -1.776 175.652 177.584 -0.260 0.000 1.159 574 A CA -0.307 51.605 52.037 -0.209 0.000 0.679 574 A CB 0.710 19.510 19.000 -0.334 0.000 1.285 574 A HN 0.485 nan 8.150 nan 0.000 0.428 575 A N -0.138 122.500 122.820 -0.304 0.000 2.330 575 A HA 0.730 5.050 4.320 -0.000 0.000 0.313 575 A C -1.595 175.848 177.584 -0.235 0.000 1.124 575 A CA -0.285 51.641 52.037 -0.184 0.000 0.774 575 A CB 0.391 19.355 19.000 -0.060 0.000 1.198 575 A HN 0.794 nan 8.150 nan 0.000 0.465 576 Y N 1.300 121.663 120.300 0.105 0.000 2.387 576 Y HA 0.569 5.119 4.550 -0.000 0.000 0.336 576 Y C -0.055 175.980 175.900 0.226 0.000 1.067 576 Y CA -0.934 57.278 58.100 0.186 0.000 1.114 576 Y CB 2.006 40.642 38.460 0.293 0.000 1.208 576 Y HN 0.528 nan 8.280 nan 0.000 0.458 577 L N 4.058 125.513 121.223 0.386 0.000 2.356 577 L HA 0.375 4.715 4.340 -0.000 0.000 0.264 577 L C -1.599 175.476 176.870 0.342 0.000 1.029 577 L CA -0.994 54.031 54.840 0.307 0.000 0.897 577 L CB 0.055 42.215 42.059 0.167 0.000 1.256 577 L HN 0.705 nan 8.230 nan 0.000 0.444 578 W N 5.636 127.089 121.300 0.255 0.000 2.358 578 W HA 0.495 5.155 4.660 -0.000 0.000 0.307 578 W C -0.684 175.928 176.519 0.155 0.000 1.203 578 W CA -0.542 56.895 57.345 0.154 0.000 1.279 578 W CB 1.237 30.812 29.460 0.192 0.000 1.264 578 W HN 0.378 nan 8.180 nan 0.000 0.474 579 V N 9.426 129.083 119.914 -0.428 0.000 2.294 579 V HA 0.603 4.723 4.120 -0.000 0.000 0.272 579 V C 0.708 176.339 176.094 -0.770 0.000 1.027 579 V CA -0.394 61.669 62.300 -0.396 0.000 0.823 579 V CB -0.059 31.645 31.823 -0.197 0.000 1.030 579 V HN 0.678 nan 8.190 nan 0.000 0.457 580 G N 4.494 112.800 108.800 -0.823 0.000 2.630 580 G HA2 0.342 4.302 3.960 -0.000 0.000 0.236 580 G HA3 0.342 4.302 3.960 -0.000 0.000 0.236 580 G C 1.114 175.846 174.900 -0.279 0.000 1.248 580 G CA 0.126 44.817 45.100 -0.680 0.000 0.844 580 G HN 1.403 nan 8.290 nan 0.000 0.588 581 A N 0.973 123.703 122.820 -0.150 0.000 1.933 581 A HA 0.040 4.360 4.320 -0.000 0.000 0.218 581 A C 2.576 180.147 177.584 -0.022 0.000 1.175 581 A CA 2.256 54.251 52.037 -0.070 0.000 0.628 581 A CB -0.750 18.240 19.000 -0.016 0.000 0.814 581 A HN 1.111 nan 8.150 nan 0.000 0.444 582 G N -0.576 108.237 108.800 0.021 0.000 2.484 582 G HA2 0.303 4.263 3.960 -0.000 0.000 0.218 582 G HA3 0.303 4.263 3.960 -0.000 0.000 0.218 582 G C 0.900 175.819 174.900 0.033 0.000 1.130 582 G CA 0.717 45.843 45.100 0.043 0.000 0.784 582 G HN 0.854 nan 8.290 nan 0.000 0.543 583 A N -0.099 122.731 122.820 0.017 0.000 2.567 583 A HA 0.505 4.825 4.320 -0.000 0.000 0.236 583 A C 0.647 178.233 177.584 0.003 0.000 1.088 583 A CA 0.715 52.760 52.037 0.014 0.000 0.776 583 A CB 0.201 19.195 19.000 -0.011 0.000 1.033 583 A HN 0.372 nan 8.150 nan 0.000 0.513 584 S N -1.489 114.215 115.700 0.005 0.000 2.851 584 S HA 0.408 4.878 4.470 -0.000 0.000 0.317 584 S C 0.761 175.359 174.600 -0.003 0.000 1.144 584 S CA -0.184 58.017 58.200 0.002 0.000 0.862 584 S CB 1.278 64.484 63.200 0.010 0.000 1.259 584 S HN 0.776 nan 8.310 nan 0.000 0.564 585 E N 1.153 121.352 120.200 -0.002 0.000 2.268 585 E HA 0.014 4.364 4.350 -0.000 0.000 0.195 585 E C 1.663 178.261 176.600 -0.004 0.000 0.995 585 E CA 1.311 57.709 56.400 -0.003 0.000 0.836 585 E CB -0.309 29.391 29.700 -0.000 0.000 0.763 585 E HN 0.597 nan 8.360 nan 0.000 0.491 586 A N 0.873 123.691 122.820 -0.004 0.000 1.897 586 A HA -0.131 4.188 4.320 -0.000 0.000 0.215 586 A C 1.851 179.426 177.584 -0.014 0.000 1.181 586 A CA 1.369 53.400 52.037 -0.010 0.000 0.620 586 A CB -0.373 18.620 19.000 -0.013 0.000 0.821 586 A HN 0.299 nan 8.150 nan 0.000 0.443 587 E N 0.829 121.024 120.200 -0.008 0.000 2.158 587 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 587 E C 1.628 178.226 176.600 -0.004 0.000 0.982 587 E CA 1.034 57.429 56.400 -0.008 0.000 0.823 587 E CB -0.365 29.339 29.700 0.007 0.000 0.766 587 E HN 0.640 nan 8.360 nan 0.000 0.468 588 K N 0.669 121.068 120.400 -0.002 0.000 2.031 588 K HA -0.061 4.258 4.320 -0.000 0.000 0.205 588 K C 2.405 179.001 176.600 -0.005 0.000 1.049 588 K CA 1.615 57.903 56.287 0.001 0.000 0.939 588 K CB -0.374 32.123 32.500 -0.005 0.000 0.717 588 K HN 0.057 nan 8.250 nan 0.000 0.438 589 T N 0.183 114.731 114.554 -0.010 0.000 2.803 589 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 589 T C 1.896 176.582 174.700 -0.024 0.000 1.052 589 T CA 1.639 63.731 62.100 -0.014 0.000 1.136 589 T CB -0.398 68.463 68.868 -0.011 0.000 0.864 589 T HN 0.426 nan 8.240 nan 0.000 0.467 590 G N 0.025 108.808 108.800 -0.029 0.000 2.403 590 G HA2 0.132 4.092 3.960 -0.000 0.000 0.216 590 G HA3 0.132 4.092 3.960 -0.000 0.000 0.216 590 G C 1.897 176.762 174.900 -0.058 0.000 1.154 590 G CA 0.782 45.854 45.100 -0.047 0.000 0.784 590 G HN 0.623 nan 8.290 nan 0.000 0.538 591 A N 1.288 124.087 122.820 -0.035 0.000 1.930 591 A HA -0.086 4.233 4.320 -0.000 0.000 0.217 591 A C 2.384 179.948 177.584 -0.032 0.000 1.175 591 A CA 1.972 53.993 52.037 -0.026 0.000 0.627 591 A CB -0.443 18.575 19.000 0.029 0.000 0.815 591 A HN 0.572 nan 8.150 nan 0.000 0.443 592 Q N -1.050 118.737 119.800 -0.022 0.000 2.187 592 Q HA -0.112 4.227 4.340 -0.000 0.000 0.199 592 Q C 1.671 177.645 176.000 -0.043 0.000 0.957 592 Q CA 1.348 57.137 55.803 -0.023 0.000 0.857 592 Q CB -0.327 28.404 28.738 -0.011 0.000 0.929 592 Q HN 0.510 nan 8.270 nan 0.000 0.453 593 E N 1.375 121.545 120.200 -0.051 0.000 2.268 593 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 593 E C 1.700 178.245 176.600 -0.092 0.000 0.995 593 E CA 0.608 56.972 56.400 -0.060 0.000 0.836 593 E CB -0.140 29.527 29.700 -0.055 0.000 0.763 593 E HN 0.457 nan 8.360 nan 0.000 0.491 594 L N -0.507 120.643 121.223 -0.121 0.000 2.068 594 L HA -0.097 4.242 4.340 -0.000 0.000 0.204 594 L C 1.700 178.471 176.870 -0.165 0.000 1.076 594 L CA 0.603 55.328 54.840 -0.193 0.000 0.753 594 L CB -0.221 41.679 42.059 -0.266 0.000 0.910 594 L HN 0.228 nan 8.230 nan 0.000 0.439 595 L N 0.432 121.588 121.223 -0.112 0.000 2.043 595 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 595 L C 2.721 179.553 176.870 -0.063 0.000 1.075 595 L CA 1.740 56.535 54.840 -0.074 0.000 0.752 595 L CB -1.386 40.652 42.059 -0.034 0.000 0.891 595 L HN 0.343 nan 8.230 nan 0.000 0.432 596 R N -0.914 119.552 120.500 -0.058 0.000 2.091 596 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 596 R C 2.174 178.445 176.300 -0.049 0.000 1.136 596 R CA 1.477 57.550 56.100 -0.046 0.000 0.959 596 R CB -0.035 30.240 30.300 -0.042 0.000 0.856 596 R HN 0.234 nan 8.270 nan 0.000 0.437 597 V N 0.899 120.773 119.914 -0.067 0.000 2.453 597 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 597 V C 2.032 178.102 176.094 -0.041 0.000 1.048 597 V CA 1.376 63.643 62.300 -0.056 0.000 1.049 597 V CB -0.236 31.541 31.823 -0.076 0.000 0.672 597 V HN 0.340 nan 8.190 nan 0.000 0.457 598 L N -0.667 120.521 121.223 -0.058 0.000 2.554 598 L HA 0.148 4.488 4.340 -0.000 0.000 0.226 598 L C 0.876 177.731 176.870 -0.025 0.000 1.137 598 L CA 0.209 55.027 54.840 -0.037 0.000 0.863 598 L CB -0.400 41.628 42.059 -0.051 0.000 0.985 598 L HN 0.296 nan 8.230 nan 0.000 0.451 599 R N -0.023 120.459 120.500 -0.029 0.000 3.209 599 R HA -0.141 4.199 4.340 -0.000 0.000 0.252 599 R C -0.288 175.999 176.300 -0.021 0.000 0.958 599 R CA 0.419 56.506 56.100 -0.023 0.000 0.651 599 R CB -1.900 28.390 30.300 -0.018 0.000 1.142 599 R HN 0.363 nan 8.270 nan 0.000 0.441 600 A N 0.946 123.752 122.820 -0.024 0.000 2.414 600 A HA 0.528 4.848 4.320 -0.000 0.000 0.306 600 A C -0.689 176.881 177.584 -0.025 0.000 1.054 600 A CA -0.678 51.345 52.037 -0.023 0.000 0.724 600 A CB 1.867 20.855 19.000 -0.019 0.000 1.267 600 A HN 0.176 nan 8.150 nan 0.000 0.418 601 Q N 2.649 122.432 119.800 -0.028 0.000 2.314 601 Q HA 0.444 4.784 4.340 -0.000 0.000 0.257 601 Q C -2.167 173.814 176.000 -0.032 0.000 0.975 601 Q CA -1.670 54.117 55.803 -0.026 0.000 0.933 601 Q CB 0.812 29.535 28.738 -0.025 0.000 1.195 601 Q HN 0.610 nan 8.270 nan 0.000 0.426 602 P HA 0.097 nan 4.420 nan 0.000 0.274 602 P C -1.008 176.289 177.300 -0.004 0.000 1.231 602 P CA -0.273 62.824 63.100 -0.005 0.000 0.790 602 P CB 1.020 32.732 31.700 0.021 0.000 0.951 603 V N 2.861 122.780 119.914 0.009 0.000 2.325 603 V HA 0.207 4.327 4.120 -0.000 0.000 0.280 603 V C 0.496 176.668 176.094 0.130 0.000 1.016 603 V CA -0.521 61.803 62.300 0.040 0.000 0.818 603 V CB 0.719 32.534 31.823 -0.013 0.000 1.019 603 V HN 0.601 nan 8.190 nan 0.000 0.434 604 Q N 3.515 123.372 119.800 0.094 0.000 2.314 604 Q HA 0.561 4.901 4.340 -0.000 0.000 0.258 604 Q C -0.613 175.442 176.000 0.092 0.000 0.954 604 Q CA -0.170 55.691 55.803 0.096 0.000 0.890 604 Q CB 1.710 30.475 28.738 0.044 0.000 1.210 604 Q HN 0.775 nan 8.270 nan 0.000 0.410 605 V N 0.304 120.266 119.914 0.080 0.000 2.925 605 V HA 0.962 5.082 4.120 -0.000 0.000 0.311 605 V C -1.263 174.744 176.094 -0.145 0.000 1.104 605 V CA -0.609 61.693 62.300 0.004 0.000 0.954 605 V CB 1.631 33.471 31.823 0.029 0.000 1.022 605 V HN 0.863 nan 8.190 nan 0.000 0.427 606 A N 2.604 125.314 122.820 -0.184 0.000 2.337 606 A HA 0.687 5.007 4.320 -0.000 0.000 0.329 606 A C 0.026 177.406 177.584 -0.341 0.000 1.146 606 A CA -0.640 51.219 52.037 -0.296 0.000 0.800 606 A CB 1.069 19.964 19.000 -0.174 0.000 1.220 606 A HN 1.206 nan 8.150 nan 0.000 0.472 607 E N 0.798 120.675 120.200 -0.538 0.000 2.606 607 E HA 0.272 4.622 4.350 -0.000 0.000 0.248 607 E C 1.151 177.736 176.600 -0.025 0.000 1.005 607 E CA 1.372 57.627 56.400 -0.242 0.000 0.946 607 E CB -0.113 29.435 29.700 -0.254 0.000 0.928 607 E HN 1.266 nan 8.360 nan 0.000 0.494 608 G N 3.197 112.054 108.800 0.096 0.000 2.909 608 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.198 608 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.198 608 G C 0.286 175.230 174.900 0.074 0.000 1.124 608 G CA 0.046 45.186 45.100 0.066 0.000 0.796 608 G HN 0.853 nan 8.290 nan 0.000 0.489 609 S N 1.417 117.132 115.700 0.025 0.000 2.694 609 S HA 0.590 5.060 4.470 -0.000 0.000 0.211 609 S C -0.423 174.166 174.600 -0.019 0.000 1.328 609 S CA -0.218 57.996 58.200 0.024 0.000 1.236 609 S CB 0.919 64.121 63.200 0.003 0.000 1.121 609 S HN 0.386 nan 8.310 nan 0.000 0.517 610 E N 3.267 123.447 120.200 -0.032 0.000 2.104 610 E HA 0.307 4.657 4.350 -0.000 0.000 0.278 610 E C -2.438 174.061 176.600 -0.168 0.000 1.127 610 E CA -1.682 54.512 56.400 -0.344 0.000 0.897 610 E CB -0.055 29.072 29.700 -0.955 0.000 1.043 610 E HN 0.362 nan 8.360 nan 0.000 0.410 611 P HA -0.113 nan 4.420 nan 0.000 0.266 611 P C 0.245 177.595 177.300 0.084 0.000 1.186 611 P CA 0.161 63.285 63.100 0.040 0.000 0.767 611 P CB 0.625 32.379 31.700 0.090 0.000 0.820 612 D N 0.655 121.159 120.400 0.172 0.000 2.265 612 D HA -0.105 4.534 4.640 -0.000 0.000 0.208 612 D C 1.454 177.865 176.300 0.185 0.000 0.977 612 D CA 1.326 55.466 54.000 0.234 0.000 0.871 612 D CB 0.021 40.927 40.800 0.176 0.000 0.925 612 D HN 0.311 nan 8.370 nan 0.000 0.485 613 S N 0.236 116.021 115.700 0.142 0.000 2.383 613 S HA -0.115 4.355 4.470 -0.000 0.000 0.227 613 S C 1.589 176.210 174.600 0.034 0.000 1.026 613 S CA 0.250 58.537 58.200 0.145 0.000 0.981 613 S CB -0.227 63.127 63.200 0.256 0.000 0.818 613 S HN 0.274 nan 8.310 nan 0.000 0.472 614 F N 1.307 121.026 119.950 -0.385 0.000 2.031 614 F HA -0.109 4.418 4.527 -0.000 0.000 0.295 614 F C 1.889 177.449 175.800 -0.401 0.000 1.133 614 F CA 1.333 58.878 58.000 -0.759 0.000 1.188 614 F CB -0.717 37.661 39.000 -1.036 0.000 0.974 614 F HN 0.218 nan 8.300 nan 0.000 0.473 615 W N 0.767 122.204 121.300 0.228 0.000 2.318 615 W HA -0.221 4.439 4.660 -0.000 0.000 0.313 615 W C 2.624 179.145 176.519 0.004 0.000 1.221 615 W CA 1.372 58.791 57.345 0.123 0.000 1.266 615 W CB -0.702 28.814 29.460 0.094 0.000 1.150 615 W HN 0.126 nan 8.180 nan 0.000 0.496 616 E N 0.350 120.693 120.200 0.239 0.000 2.204 616 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 616 E C 2.150 178.783 176.600 0.056 0.000 0.990 616 E CA 1.180 57.657 56.400 0.128 0.000 0.821 616 E CB -0.153 29.613 29.700 0.110 0.000 0.750 616 E HN 0.233 nan 8.360 nan 0.000 0.477 617 A N 0.255 123.073 122.820 -0.003 0.000 1.970 617 A HA -0.041 4.278 4.320 -0.000 0.000 0.216 617 A C 1.804 179.332 177.584 -0.093 0.000 1.170 617 A CA 0.447 52.451 52.037 -0.055 0.000 0.645 617 A CB -0.093 18.850 19.000 -0.094 0.000 0.816 617 A HN 0.258 nan 8.150 nan 0.000 0.447 618 L N -0.531 120.621 121.223 -0.120 0.000 2.650 618 L HA 0.218 4.558 4.340 -0.000 0.000 0.235 618 L C 1.549 178.413 176.870 -0.011 0.000 1.149 618 L CA 1.118 55.897 54.840 -0.101 0.000 0.887 618 L CB -0.513 41.488 42.059 -0.096 0.000 1.021 618 L HN 0.630 nan 8.230 nan 0.000 0.441 619 G N -1.362 107.445 108.800 0.011 0.000 2.132 619 G HA2 0.048 4.008 3.960 -0.000 0.000 0.228 619 G HA3 0.048 4.008 3.960 -0.000 0.000 0.228 619 G C 0.644 175.567 174.900 0.038 0.000 1.000 619 G CA 0.008 45.118 45.100 0.018 0.000 0.693 619 G HN 1.022 nan 8.290 nan 0.000 0.515 620 G N -0.954 107.896 108.800 0.084 0.000 2.911 620 G HA2 0.297 4.257 3.960 -0.000 0.000 0.686 620 G HA3 0.297 4.257 3.960 -0.000 0.000 0.686 620 G C -0.141 174.801 174.900 0.070 0.000 1.136 620 G CA 0.380 45.525 45.100 0.076 0.000 0.764 620 G HN 1.249 nan 8.290 nan 0.000 0.626 621 K N 0.738 121.113 120.400 -0.042 0.000 2.518 621 K HA 0.483 4.803 4.320 -0.000 0.000 0.276 621 K C 0.749 177.193 176.600 -0.260 0.000 0.974 621 K CA 0.982 57.013 56.287 -0.425 0.000 0.986 621 K CB 0.312 32.189 32.500 -1.038 0.000 0.901 621 K HN 1.888 nan 8.250 nan 0.000 0.497 622 A N 2.710 125.398 122.820 -0.220 0.000 2.593 622 A HA 0.426 4.746 4.320 -0.000 0.000 0.304 622 A C -0.697 176.879 177.584 -0.014 0.000 1.233 622 A CA -0.757 51.226 52.037 -0.090 0.000 0.661 622 A CB 0.743 19.727 19.000 -0.026 0.000 1.338 622 A HN 0.716 nan 8.150 nan 0.000 0.495 623 T N -0.168 114.397 114.554 0.018 0.000 2.663 623 T HA 0.347 4.697 4.350 -0.000 0.000 0.325 623 T C -0.259 174.566 174.700 0.207 0.000 1.059 623 T CA 1.163 63.310 62.100 0.078 0.000 1.039 623 T CB -0.043 68.850 68.868 0.042 0.000 0.996 623 T HN 0.442 nan 8.240 nan 0.000 0.539 624 Y N -0.171 120.123 120.300 -0.011 0.000 3.300 624 Y HA 0.675 5.224 4.550 -0.000 0.000 0.297 624 Y C 0.447 176.364 175.900 0.027 0.000 1.747 624 Y CA -0.951 57.158 58.100 0.015 0.000 0.937 624 Y CB 1.014 39.501 38.460 0.046 0.000 1.377 624 Y HN 0.333 nan 8.280 nan 0.000 0.662 625 R N 0.207 120.855 120.500 0.246 0.000 2.660 625 R HA 0.111 4.450 4.340 -0.000 0.000 0.249 625 R C -1.459 174.970 176.300 0.216 0.000 1.018 625 R CA 0.361 56.554 56.100 0.155 0.000 0.824 625 R CB -0.305 30.036 30.300 0.068 0.000 1.444 625 R HN 0.773 nan 8.270 nan 0.000 0.327 626 T N -0.235 114.463 114.554 0.240 0.000 3.105 626 T HA 0.126 4.476 4.350 -0.000 0.000 0.253 626 T C 0.523 175.316 174.700 0.155 0.000 1.047 626 T CA 0.037 62.276 62.100 0.232 0.000 0.944 626 T CB 0.324 69.324 68.868 0.219 0.000 1.016 626 T HN 0.279 nan 8.240 nan 0.000 0.544 627 S N 4.425 120.205 115.700 0.132 0.000 2.546 627 S HA 0.171 4.641 4.470 -0.000 0.000 0.290 627 S C -1.892 172.776 174.600 0.113 0.000 1.290 627 S CA -0.823 57.441 58.200 0.107 0.000 1.069 627 S CB 0.410 63.669 63.200 0.098 0.000 0.846 627 S HN 0.337 nan 8.310 nan 0.000 0.495 628 P HA 0.322 nan 4.420 nan 0.000 0.276 628 P C -0.519 176.842 177.300 0.102 0.000 1.261 628 P CA -0.629 62.530 63.100 0.098 0.000 0.800 628 P CB 0.847 32.597 31.700 0.083 0.000 1.066 629 R N -0.253 120.308 120.500 0.102 0.000 2.758 629 R HA 0.497 4.837 4.340 -0.000 0.000 0.265 629 R C 0.117 176.479 176.300 0.104 0.000 1.016 629 R CA -1.046 55.119 56.100 0.109 0.000 1.040 629 R CB 0.701 31.067 30.300 0.110 0.000 1.152 629 R HN 0.381 nan 8.270 nan 0.000 0.503 630 L N 2.756 124.049 121.223 0.116 0.000 2.583 630 L HA 0.172 4.512 4.340 -0.000 0.000 0.239 630 L C 0.126 177.061 176.870 0.109 0.000 1.347 630 L CA 0.239 55.143 54.840 0.108 0.000 1.246 630 L CB -0.424 41.707 42.059 0.120 0.000 1.496 630 L HN 0.383 nan 8.230 nan 0.000 0.413 631 K N 0.314 120.775 120.400 0.101 0.000 3.025 631 K HA 0.050 4.370 4.320 -0.000 0.000 0.260 631 K C -0.002 176.661 176.600 0.106 0.000 1.023 631 K CA 0.037 56.388 56.287 0.106 0.000 1.194 631 K CB 0.074 32.632 32.500 0.096 0.000 1.094 631 K HN 0.394 nan 8.250 nan 0.000 0.460 632 D N -0.806 119.650 120.400 0.094 0.000 1.367 632 D HA -0.044 4.596 4.640 -0.000 0.000 0.758 632 D C 0.540 176.876 176.300 0.060 0.000 0.713 632 D CA 0.246 54.294 54.000 0.081 0.000 1.249 632 D CB 0.136 40.978 40.800 0.071 0.000 1.531 632 D HN -0.005 nan 8.370 nan 0.000 0.449 633 K N 1.949 122.380 120.400 0.053 0.000 2.487 633 K HA 0.064 4.384 4.320 -0.000 0.000 0.192 633 K C 1.693 178.309 176.600 0.027 0.000 1.027 633 K CA 0.136 56.441 56.287 0.029 0.000 1.054 633 K CB 0.589 33.103 32.500 0.024 0.000 0.824 633 K HN 0.033 nan 8.250 nan 0.000 0.510 634 K N 1.570 122.012 120.400 0.069 0.000 2.074 634 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 634 K C 2.044 178.699 176.600 0.093 0.000 1.048 634 K CA 1.417 57.770 56.287 0.110 0.000 0.926 634 K CB -0.009 32.580 32.500 0.149 0.000 0.713 634 K HN 0.121 nan 8.250 nan 0.000 0.444 635 M N 0.734 120.386 119.600 0.086 0.000 2.229 635 M HA -0.167 4.313 4.480 -0.000 0.000 0.264 635 M C 0.980 177.282 176.300 0.004 0.000 1.063 635 M CA 1.649 57.000 55.300 0.085 0.000 1.114 635 M CB 0.069 32.735 32.600 0.109 0.000 1.387 635 M HN 0.189 nan 8.290 nan 0.000 0.420 636 D N 0.212 120.597 120.400 -0.026 0.000 2.103 636 D HA -0.060 4.579 4.640 -0.000 0.000 0.199 636 D C 1.860 178.087 176.300 -0.122 0.000 0.978 636 D CA 1.556 55.519 54.000 -0.062 0.000 0.829 636 D CB -0.090 40.683 40.800 -0.046 0.000 0.981 636 D HN 0.467 nan 8.370 nan 0.000 0.464 637 A N 0.425 123.121 122.820 -0.206 0.000 2.014 637 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 637 A C 0.271 177.329 177.584 -0.876 0.000 1.163 637 A CA 1.073 52.815 52.037 -0.490 0.000 0.652 637 A CB -0.345 18.346 19.000 -0.516 0.000 0.808 637 A HN 0.292 nan 8.150 nan 0.000 0.449 638 H N -0.736 118.172 119.070 -0.270 0.000 2.488 638 H HA 0.290 4.846 4.556 -0.000 0.000 0.237 638 H C -2.867 172.404 175.328 -0.095 0.000 1.395 638 H CA -1.704 54.128 56.048 -0.359 0.000 1.491 638 H CB 0.734 30.012 29.762 -0.808 0.000 1.567 638 H HN 0.243 nan 8.280 nan 0.000 0.508 639 P HA 0.084 nan 4.420 nan 0.000 0.271 639 P C -2.583 174.812 177.300 0.159 0.000 1.218 639 P CA -1.343 61.799 63.100 0.069 0.000 0.780 639 P CB 1.077 32.809 31.700 0.053 0.000 0.901 640 P HA 0.242 nan 4.420 nan 0.000 0.269 640 P C -0.305 177.195 177.300 0.333 0.000 1.215 640 P CA 0.203 63.312 63.100 0.015 0.000 0.780 640 P CB 0.536 31.967 31.700 -0.449 0.000 0.898 641 R N 1.073 121.681 120.500 0.181 0.000 2.651 641 R HA 0.613 4.953 4.340 -0.000 0.000 0.278 641 R C -1.400 174.872 176.300 -0.048 0.000 1.010 641 R CA -1.035 55.158 56.100 0.154 0.000 0.896 641 R CB 1.599 32.061 30.300 0.270 0.000 1.211 641 R HN 0.282 nan 8.270 nan 0.000 0.456 642 L N 2.803 123.884 121.223 -0.237 0.000 2.322 642 L HA 0.632 4.972 4.340 -0.000 0.000 0.281 642 L C -1.571 175.127 176.870 -0.286 0.000 1.014 642 L CA -0.147 54.555 54.840 -0.230 0.000 0.815 642 L CB 0.926 42.803 42.059 -0.302 0.000 1.247 642 L HN 0.497 nan 8.230 nan 0.000 0.421 643 F N 2.806 122.741 119.950 -0.025 0.000 2.640 643 F HA 0.864 5.391 4.527 -0.000 0.000 0.324 643 F C 0.091 175.906 175.800 0.025 0.000 1.077 643 F CA -0.549 57.458 58.000 0.011 0.000 0.965 643 F CB 1.736 40.740 39.000 0.008 0.000 1.351 643 F HN 0.549 nan 8.300 nan 0.000 0.487 644 A N 0.284 123.257 122.820 0.254 0.000 2.350 644 A HA 0.769 5.088 4.320 -0.000 0.000 0.324 644 A C -1.220 176.437 177.584 0.122 0.000 1.118 644 A CA -0.521 51.612 52.037 0.161 0.000 0.783 644 A CB 0.800 19.871 19.000 0.117 0.000 1.236 644 A HN 0.821 nan 8.150 nan 0.000 0.457 645 C N 0.234 119.598 119.300 0.106 0.000 2.486 645 C HA 0.995 5.455 4.460 -0.000 0.000 0.348 645 C C 0.611 175.629 174.990 0.048 0.000 1.203 645 C CA -0.177 58.878 59.018 0.062 0.000 1.911 645 C CB 1.666 29.531 27.740 0.209 0.000 2.340 645 C HN 1.070 nan 8.230 nan 0.000 0.511 646 S N 0.130 115.837 115.700 0.012 0.000 2.622 646 S HA 0.388 4.858 4.470 -0.000 0.000 0.275 646 S C -1.451 173.196 174.600 0.079 0.000 1.112 646 S CA -0.500 57.728 58.200 0.047 0.000 0.837 646 S CB 0.626 63.835 63.200 0.016 0.000 1.082 646 S HN 0.826 nan 8.310 nan 0.000 0.456 647 N N 1.458 120.218 118.700 0.101 0.000 2.466 647 N HA 0.248 4.988 4.740 -0.000 0.000 0.272 647 N C 0.686 176.243 175.510 0.077 0.000 1.455 647 N CA -0.447 52.675 53.050 0.121 0.000 0.875 647 N CB 0.888 39.461 38.487 0.144 0.000 1.372 647 N HN 0.600 nan 8.380 nan 0.000 0.492 648 K N 0.812 121.246 120.400 0.057 0.000 2.007 648 K HA -0.172 4.148 4.320 -0.000 0.000 0.231 648 K C 0.089 176.718 176.600 0.048 0.000 1.044 648 K CA 1.516 57.831 56.287 0.048 0.000 0.996 648 K CB 0.011 32.535 32.500 0.041 0.000 0.738 648 K HN 0.086 nan 8.250 nan 0.000 0.447 649 I N 0.640 121.239 120.570 0.049 0.000 2.517 649 I HA 0.151 4.321 4.170 -0.000 0.000 0.289 649 I C 1.022 177.170 176.117 0.052 0.000 1.149 649 I CA 0.612 61.940 61.300 0.047 0.000 1.189 649 I CB -0.422 37.604 38.000 0.043 0.000 1.641 649 I HN 0.776 nan 8.210 nan 0.000 0.560 650 G N 3.819 112.652 108.800 0.056 0.000 2.343 650 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.264 650 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.264 650 G C 0.819 175.767 174.900 0.080 0.000 0.989 650 G CA 0.685 45.821 45.100 0.060 0.000 0.627 650 G HN 0.455 nan 8.290 nan 0.000 0.549 651 R N -0.473 120.080 120.500 0.087 0.000 2.596 651 R HA 0.691 5.031 4.340 -0.000 0.000 0.267 651 R C -0.577 175.826 176.300 0.173 0.000 1.026 651 R CA -1.369 54.800 56.100 0.116 0.000 1.087 651 R CB 0.182 30.533 30.300 0.085 0.000 1.132 651 R HN 0.134 nan 8.270 nan 0.000 0.531 652 F N 3.522 123.493 119.950 0.034 0.000 2.391 652 F HA 0.484 5.010 4.527 -0.000 0.000 0.359 652 F C -0.932 174.900 175.800 0.053 0.000 1.122 652 F CA -0.640 57.384 58.000 0.041 0.000 1.120 652 F CB 0.880 39.901 39.000 0.034 0.000 1.142 652 F HN 0.146 nan 8.300 nan 0.000 0.483 653 V N 8.851 128.446 119.914 -0.532 0.000 2.604 653 V HA 0.683 4.803 4.120 -0.000 0.000 0.305 653 V C -0.807 174.949 176.094 -0.563 0.000 1.043 653 V CA -0.696 61.342 62.300 -0.436 0.000 0.888 653 V CB 1.696 33.428 31.823 -0.150 0.000 0.995 653 V HN 0.707 nan 8.190 nan 0.000 0.429 654 I N 2.915 123.267 120.570 -0.363 0.000 2.569 654 I HA 0.785 4.955 4.170 -0.000 0.000 0.296 654 I C -0.793 175.383 176.117 0.099 0.000 1.028 654 I CA -0.517 60.695 61.300 -0.146 0.000 1.082 654 I CB 1.999 39.934 38.000 -0.108 0.000 1.264 654 I HN 0.787 nan 8.210 nan 0.000 0.429 655 E N 4.799 125.126 120.200 0.211 0.000 2.241 655 E HA 0.257 4.607 4.350 -0.000 0.000 0.263 655 E C -1.212 175.525 176.600 0.228 0.000 0.882 655 E CA -0.607 55.918 56.400 0.209 0.000 0.769 655 E CB 1.850 31.613 29.700 0.104 0.000 1.185 655 E HN 0.788 nan 8.360 nan 0.000 0.415 656 E N 3.204 123.470 120.200 0.110 0.000 2.354 656 E HA 0.168 4.518 4.350 -0.000 0.000 0.269 656 E C -0.939 175.541 176.600 -0.200 0.000 1.036 656 E CA -0.506 55.668 56.400 -0.377 0.000 0.876 656 E CB 1.433 30.813 29.700 -0.534 0.000 1.009 656 E HN 0.329 nan 8.360 nan 0.000 0.416 657 V N 6.309 126.088 119.914 -0.225 0.000 2.333 657 V HA 0.451 4.571 4.120 -0.000 0.000 0.274 657 V C -2.317 173.708 176.094 -0.114 0.000 1.028 657 V CA -1.938 60.311 62.300 -0.085 0.000 0.851 657 V CB 1.180 33.003 31.823 0.001 0.000 1.000 657 V HN 0.648 nan 8.190 nan 0.000 0.456 658 P HA 0.515 nan 4.420 nan 0.000 0.274 658 P C 0.435 177.671 177.300 -0.107 0.000 1.237 658 P CA 1.320 64.343 63.100 -0.130 0.000 0.793 658 P CB 1.179 32.819 31.700 -0.100 0.000 0.977 659 G N 1.668 110.381 108.800 -0.145 0.000 2.660 659 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.215 659 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.215 659 G C -0.895 173.936 174.900 -0.115 0.000 1.345 659 G CA -0.619 44.426 45.100 -0.092 0.000 0.877 659 G HN 0.601 nan 8.290 nan 0.000 0.549 660 E N -0.109 120.035 120.200 -0.094 0.000 2.360 660 E HA 0.397 4.747 4.350 -0.000 0.000 0.269 660 E C -0.056 176.485 176.600 -0.098 0.000 1.022 660 E CA -0.281 56.023 56.400 -0.161 0.000 0.887 660 E CB 0.311 29.948 29.700 -0.106 0.000 0.990 660 E HN 0.308 nan 8.360 nan 0.000 0.426 661 F N 2.793 122.715 119.950 -0.046 0.000 2.578 661 F HA 0.089 4.616 4.527 -0.000 0.000 0.381 661 F C 0.568 176.390 175.800 0.036 0.000 1.069 661 F CA 0.320 58.207 58.000 -0.188 0.000 1.231 661 F CB -0.163 38.394 39.000 -0.737 0.000 1.086 661 F HN 0.198 nan 8.300 nan 0.000 0.564 662 M N 2.706 122.556 119.600 0.416 0.000 2.386 662 M HA 0.207 4.687 4.480 -0.000 0.000 0.293 662 M C 0.887 177.325 176.300 0.231 0.000 1.120 662 M CA -0.678 54.815 55.300 0.322 0.000 0.909 662 M CB 2.524 35.184 32.600 0.100 0.000 1.661 662 M HN 0.662 nan 8.290 nan 0.000 0.452 663 Q N 1.315 121.065 119.800 -0.083 0.000 2.181 663 Q HA -0.205 4.135 4.340 -0.000 0.000 0.205 663 Q C 0.789 176.427 176.000 -0.604 0.000 0.980 663 Q CA 2.181 57.605 55.803 -0.633 0.000 0.862 663 Q CB 0.322 28.299 28.738 -1.270 0.000 0.905 663 Q HN 0.702 nan 8.270 nan 0.000 0.429 664 E N 0.562 120.511 120.200 -0.418 0.000 2.268 664 E HA -0.142 4.207 4.350 -0.000 0.000 0.195 664 E C 1.003 177.688 176.600 0.142 0.000 0.995 664 E CA 1.178 57.499 56.400 -0.131 0.000 0.836 664 E CB 0.051 29.738 29.700 -0.022 0.000 0.763 664 E HN 0.410 nan 8.360 nan 0.000 0.491 665 D N -0.085 120.379 120.400 0.106 0.000 2.363 665 D HA -0.035 4.604 4.640 -0.000 0.000 0.226 665 D C -0.269 176.066 176.300 0.059 0.000 1.020 665 D CA 0.295 54.415 54.000 0.200 0.000 0.892 665 D CB 0.214 41.115 40.800 0.168 0.000 0.900 665 D HN 0.107 nan 8.370 nan 0.000 0.531 666 L N 1.533 122.710 121.223 -0.076 0.000 2.389 666 L HA 0.244 4.584 4.340 -0.000 0.000 0.265 666 L C 0.306 177.081 176.870 -0.159 0.000 1.167 666 L CA -0.863 53.793 54.840 -0.307 0.000 1.045 666 L CB -0.042 41.595 42.059 -0.703 0.000 1.351 666 L HN -0.168 nan 8.230 nan 0.000 0.419 667 A N 1.215 123.833 122.820 -0.336 0.000 2.545 667 A HA 0.220 4.540 4.320 -0.000 0.000 0.253 667 A C 1.607 179.198 177.584 0.013 0.000 1.074 667 A CA 0.492 52.207 52.037 -0.536 0.000 0.760 667 A CB -0.126 18.301 19.000 -0.956 0.000 1.005 667 A HN 0.815 nan 8.150 nan 0.000 0.506 668 T N -0.310 114.308 114.554 0.107 0.000 2.996 668 T HA -0.145 4.205 4.350 -0.000 0.000 0.271 668 T C 0.597 175.316 174.700 0.031 0.000 1.126 668 T CA 1.492 63.672 62.100 0.133 0.000 1.103 668 T CB -0.306 68.595 68.868 0.054 0.000 0.870 668 T HN 0.744 nan 8.240 nan 0.000 0.528 669 D N -0.549 119.858 120.400 0.012 0.000 2.501 669 D HA 0.212 4.852 4.640 -0.000 0.000 0.226 669 D C -0.342 175.970 176.300 0.019 0.000 1.198 669 D CA -0.488 53.513 54.000 0.002 0.000 0.830 669 D CB 0.059 40.864 40.800 0.008 0.000 1.014 669 D HN 0.232 nan 8.370 nan 0.000 0.496 670 D N -0.298 120.141 120.400 0.065 0.000 2.450 670 D HA 0.409 5.049 4.640 -0.000 0.000 0.238 670 D C -0.776 175.628 176.300 0.174 0.000 1.020 670 D CA -0.753 53.306 54.000 0.098 0.000 1.010 670 D CB 3.110 43.952 40.800 0.070 0.000 1.342 670 D HN -0.223 nan 8.370 nan 0.000 0.530 671 V N 2.528 122.540 119.914 0.164 0.000 2.378 671 V HA 0.356 4.475 4.120 -0.000 0.000 0.288 671 V C -0.102 176.135 176.094 0.238 0.000 1.016 671 V CA -0.643 61.770 62.300 0.189 0.000 0.840 671 V CB 1.272 33.168 31.823 0.122 0.000 0.994 671 V HN 0.414 nan 8.190 nan 0.000 0.431 672 M N 5.752 125.560 119.600 0.347 0.000 2.537 672 M HA 0.612 5.092 4.480 -0.000 0.000 0.324 672 M C -0.761 175.698 176.300 0.264 0.000 1.187 672 M CA -0.621 54.853 55.300 0.289 0.000 0.993 672 M CB 1.841 34.610 32.600 0.281 0.000 1.666 672 M HN 0.338 nan 8.290 nan 0.000 0.461 673 L N 3.223 124.561 121.223 0.192 0.000 2.316 673 L HA 0.513 4.853 4.340 -0.000 0.000 0.280 673 L C -0.772 176.175 176.870 0.128 0.000 1.006 673 L CA -0.381 54.521 54.840 0.104 0.000 0.836 673 L CB 1.699 43.669 42.059 -0.148 0.000 1.221 673 L HN 0.529 nan 8.230 nan 0.000 0.418 674 L N 4.059 125.399 121.223 0.195 0.000 2.264 674 L HA 0.342 4.682 4.340 -0.000 0.000 0.287 674 L C -0.656 176.282 176.870 0.113 0.000 1.039 674 L CA -0.309 54.578 54.840 0.078 0.000 0.829 674 L CB 1.084 43.224 42.059 0.134 0.000 1.211 674 L HN 0.547 nan 8.230 nan 0.000 0.427 675 D N 3.761 124.190 120.400 0.048 0.000 2.428 675 D HA 0.221 4.861 4.640 -0.000 0.000 0.221 675 D C 0.003 176.368 176.300 0.108 0.000 1.123 675 D CA -0.071 53.993 54.000 0.107 0.000 0.869 675 D CB 1.075 41.999 40.800 0.207 0.000 1.032 675 D HN 0.381 nan 8.370 nan 0.000 0.506 676 T N 2.693 117.305 114.554 0.096 0.000 2.814 676 T HA 0.060 4.410 4.350 -0.000 0.000 0.284 676 T C 1.020 175.875 174.700 0.259 0.000 0.998 676 T CA -0.643 61.518 62.100 0.103 0.000 0.935 676 T CB 1.001 69.970 68.868 0.169 0.000 1.167 676 T HN 0.509 nan 8.240 nan 0.000 0.545 677 W N 0.411 121.734 121.300 0.039 0.000 2.481 677 W HA -0.084 4.575 4.660 -0.000 0.000 0.293 677 W C 1.398 177.905 176.519 -0.020 0.000 1.201 677 W CA 0.597 57.932 57.345 -0.015 0.000 1.328 677 W CB 0.026 29.435 29.460 -0.085 0.000 1.112 677 W HN 0.696 nan 8.180 nan 0.000 0.546 678 D N 0.153 120.650 120.400 0.163 0.000 2.133 678 D HA -0.175 4.465 4.640 -0.000 0.000 0.195 678 D C 0.886 177.150 176.300 -0.061 0.000 0.997 678 D CA 1.583 55.606 54.000 0.039 0.000 0.840 678 D CB -0.010 40.858 40.800 0.115 0.000 0.947 678 D HN 0.414 nan 8.370 nan 0.000 0.452 679 Q N -1.197 118.570 119.800 -0.055 0.000 2.565 679 Q HA 0.548 4.888 4.340 -0.000 0.000 0.294 679 Q C -1.589 174.332 176.000 -0.133 0.000 1.005 679 Q CA -0.901 54.815 55.803 -0.146 0.000 0.771 679 Q CB 2.179 30.768 28.738 -0.248 0.000 1.486 679 Q HN -0.187 nan 8.270 nan 0.000 0.422 680 V N 1.691 121.504 119.914 -0.169 0.000 2.378 680 V HA 0.461 4.581 4.120 -0.000 0.000 0.288 680 V C -1.229 174.807 176.094 -0.096 0.000 1.016 680 V CA -0.478 61.777 62.300 -0.076 0.000 0.840 680 V CB 0.903 32.704 31.823 -0.037 0.000 0.994 680 V HN 0.608 nan 8.190 nan 0.000 0.431 681 F N 3.789 123.791 119.950 0.087 0.000 2.404 681 F HA 0.584 5.111 4.527 -0.000 0.000 0.339 681 F C 0.210 176.085 175.800 0.124 0.000 1.105 681 F CA -0.456 57.633 58.000 0.149 0.000 1.087 681 F CB 1.875 41.080 39.000 0.342 0.000 1.143 681 F HN 0.295 nan 8.300 nan 0.000 0.491 682 V N 5.581 125.663 119.914 0.279 0.000 2.376 682 V HA 0.377 4.497 4.120 -0.000 0.000 0.287 682 V C -1.599 174.610 176.094 0.191 0.000 1.015 682 V CA -0.737 61.681 62.300 0.197 0.000 0.834 682 V CB 0.698 32.576 31.823 0.092 0.000 1.001 682 V HN 0.775 nan 8.190 nan 0.000 0.428 683 W N 7.505 128.820 121.300 0.024 0.000 2.331 683 W HA 0.638 5.297 4.660 -0.000 0.000 0.306 683 W C -0.301 176.194 176.519 -0.040 0.000 1.162 683 W CA -0.615 56.682 57.345 -0.080 0.000 1.232 683 W CB 1.696 31.126 29.460 -0.051 0.000 1.235 683 W HN 0.664 nan 8.180 nan 0.000 0.479 684 V N 5.690 125.276 119.914 -0.547 0.000 2.370 684 V HA 0.797 4.917 4.120 -0.000 0.000 0.283 684 V C 0.439 175.954 176.094 -0.964 0.000 1.023 684 V CA -0.653 61.349 62.300 -0.497 0.000 0.857 684 V CB 0.546 32.186 31.823 -0.305 0.000 0.985 684 V HN 0.775 nan 8.190 nan 0.000 0.443 685 G N 3.444 111.834 108.800 -0.683 0.000 2.441 685 G HA2 0.187 4.147 3.960 -0.000 0.000 0.243 685 G HA3 0.187 4.147 3.960 -0.000 0.000 0.243 685 G C 0.483 175.138 174.900 -0.409 0.000 1.281 685 G CA -0.151 44.576 45.100 -0.622 0.000 0.854 685 G HN 1.048 nan 8.290 nan 0.000 0.560 686 K N 0.533 120.701 120.400 -0.387 0.000 2.211 686 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 686 K C 0.614 177.125 176.600 -0.148 0.000 1.047 686 K CA 1.374 57.513 56.287 -0.248 0.000 0.935 686 K CB 0.126 32.493 32.500 -0.222 0.000 0.728 686 K HN 0.521 nan 8.250 nan 0.000 0.452 687 D N 0.876 121.206 120.400 -0.115 0.000 2.363 687 D HA 0.005 4.645 4.640 -0.000 0.000 0.214 687 D C 0.153 176.426 176.300 -0.044 0.000 1.093 687 D CA 0.077 54.040 54.000 -0.061 0.000 0.837 687 D CB 0.539 41.322 40.800 -0.029 0.000 0.948 687 D HN 0.196 nan 8.370 nan 0.000 0.507 688 S N 0.085 115.748 115.700 -0.063 0.000 2.589 688 S HA 0.140 4.610 4.470 -0.000 0.000 0.265 688 S C 0.507 175.088 174.600 -0.031 0.000 1.342 688 S CA -0.642 57.536 58.200 -0.036 0.000 1.005 688 S CB 1.293 64.466 63.200 -0.046 0.000 0.909 688 S HN 0.032 nan 8.310 nan 0.000 0.555 689 Q N 0.386 120.179 119.800 -0.012 0.000 2.364 689 Q HA 0.074 4.414 4.340 -0.000 0.000 0.267 689 Q C 0.335 176.324 176.000 -0.019 0.000 0.999 689 Q CA -0.228 55.570 55.803 -0.010 0.000 0.886 689 Q CB 0.393 29.134 28.738 0.005 0.000 1.243 689 Q HN 0.705 nan 8.270 nan 0.000 0.415 690 D N 2.064 122.451 120.400 -0.022 0.000 2.172 690 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 690 D C 1.139 177.425 176.300 -0.023 0.000 0.999 690 D CA 1.661 55.645 54.000 -0.028 0.000 0.856 690 D CB 0.310 41.095 40.800 -0.025 0.000 0.934 690 D HN 0.569 nan 8.370 nan 0.000 0.453 691 E N 0.129 120.322 120.200 -0.011 0.000 2.110 691 E HA -0.156 4.193 4.350 -0.000 0.000 0.193 691 E C 1.974 178.573 176.600 -0.002 0.000 0.988 691 E CA 0.664 57.061 56.400 -0.005 0.000 0.804 691 E CB -0.052 29.650 29.700 0.005 0.000 0.745 691 E HN 0.328 nan 8.360 nan 0.000 0.458 692 E N 1.408 121.610 120.200 0.003 0.000 2.051 692 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 692 E C 2.010 178.607 176.600 -0.006 0.000 0.991 692 E CA 1.246 57.654 56.400 0.013 0.000 0.799 692 E CB -0.109 29.603 29.700 0.020 0.000 0.748 692 E HN 0.401 nan 8.360 nan 0.000 0.449 693 K N -0.126 120.255 120.400 -0.032 0.000 2.432 693 K HA 0.051 4.371 4.320 -0.000 0.000 0.196 693 K C 1.842 178.412 176.600 -0.050 0.000 1.038 693 K CA 1.025 57.279 56.287 -0.055 0.000 0.986 693 K CB 0.041 32.489 32.500 -0.088 0.000 0.782 693 K HN -0.157 nan 8.250 nan 0.000 0.485 694 T N 0.518 115.049 114.554 -0.038 0.000 3.057 694 T HA 0.040 4.389 4.350 -0.000 0.000 0.254 694 T C 0.765 175.446 174.700 -0.032 0.000 1.094 694 T CA 0.626 62.703 62.100 -0.037 0.000 1.088 694 T CB 0.071 68.920 68.868 -0.032 0.000 0.934 694 T HN 0.239 nan 8.240 nan 0.000 0.497 695 E N 0.110 120.296 120.200 -0.024 0.000 2.501 695 E HA 0.506 4.856 4.350 -0.000 0.000 0.201 695 E C 1.691 178.277 176.600 -0.024 0.000 1.016 695 E CA 0.214 56.600 56.400 -0.023 0.000 0.920 695 E CB -0.027 29.668 29.700 -0.008 0.000 1.023 695 E HN 0.413 nan 8.360 nan 0.000 0.474 696 A N 0.702 123.510 122.820 -0.021 0.000 1.870 696 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 696 A C 2.014 179.583 177.584 -0.024 0.000 1.224 696 A CA 1.692 53.720 52.037 -0.014 0.000 0.650 696 A CB -0.923 18.061 19.000 -0.027 0.000 0.836 696 A HN 0.373 nan 8.150 nan 0.000 0.454 697 L N -0.870 120.331 121.223 -0.037 0.000 2.013 697 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 697 L C 2.884 179.713 176.870 -0.069 0.000 1.073 697 L CA 2.102 56.914 54.840 -0.047 0.000 0.753 697 L CB -1.094 40.936 42.059 -0.047 0.000 0.890 697 L HN 0.495 nan 8.230 nan 0.000 0.432 698 T N -1.198 113.308 114.554 -0.080 0.000 2.720 698 T HA -0.184 4.165 4.350 -0.000 0.000 0.268 698 T C 2.089 176.673 174.700 -0.194 0.000 1.037 698 T CA 1.645 63.674 62.100 -0.120 0.000 1.144 698 T CB -0.218 68.586 68.868 -0.107 0.000 0.864 698 T HN 0.294 nan 8.240 nan 0.000 0.444 699 S N 1.442 117.038 115.700 -0.173 0.000 2.368 699 S HA -0.040 4.430 4.470 -0.000 0.000 0.225 699 S C 2.627 177.109 174.600 -0.197 0.000 1.030 699 S CA 0.970 59.006 58.200 -0.274 0.000 0.999 699 S CB -0.653 62.559 63.200 0.020 0.000 0.844 699 S HN 0.620 nan 8.310 nan 0.000 0.459 700 A N 1.847 124.629 122.820 -0.063 0.000 1.883 700 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 700 A C 2.079 179.662 177.584 -0.001 0.000 1.186 700 A CA 1.611 53.646 52.037 -0.004 0.000 0.624 700 A CB -0.510 18.480 19.000 -0.016 0.000 0.822 700 A HN 0.427 nan 8.150 nan 0.000 0.444 701 K N -1.062 119.292 120.400 -0.077 0.000 2.032 701 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 701 K C 2.359 178.883 176.600 -0.127 0.000 1.048 701 K CA 1.648 57.879 56.287 -0.095 0.000 0.927 701 K CB -0.178 32.255 32.500 -0.112 0.000 0.712 701 K HN 0.356 nan 8.250 nan 0.000 0.441 702 R N 0.648 121.013 120.500 -0.224 0.000 2.103 702 R HA -0.219 4.121 4.340 -0.000 0.000 0.242 702 R C 2.108 178.299 176.300 -0.182 0.000 1.142 702 R CA 1.652 57.557 56.100 -0.325 0.000 0.960 702 R CB -0.849 29.010 30.300 -0.735 0.000 0.858 702 R HN 0.344 nan 8.270 nan 0.000 0.439 703 Y N 0.068 120.247 120.300 -0.201 0.000 2.181 703 Y HA -0.115 4.435 4.550 -0.000 0.000 0.288 703 Y C 1.787 177.648 175.900 -0.065 0.000 1.146 703 Y CA 2.024 60.127 58.100 0.006 0.000 1.164 703 Y CB -0.099 38.381 38.460 0.033 0.000 0.982 703 Y HN 0.077 nan 8.280 nan 0.000 0.515 704 I N 0.083 120.599 120.570 -0.092 0.000 2.353 704 I HA -0.246 3.923 4.170 -0.000 0.000 0.248 704 I C 1.666 177.649 176.117 -0.224 0.000 1.119 704 I CA 1.289 62.466 61.300 -0.205 0.000 1.417 704 I CB -0.414 37.524 38.000 -0.104 0.000 1.078 704 I HN 0.205 nan 8.210 nan 0.000 0.421 705 D N 0.401 120.696 120.400 -0.174 0.000 2.218 705 D HA -0.116 4.523 4.640 -0.000 0.000 0.204 705 D C 1.948 178.152 176.300 -0.159 0.000 0.976 705 D CA 1.316 55.217 54.000 -0.165 0.000 0.853 705 D CB -0.088 40.629 40.800 -0.139 0.000 0.939 705 D HN 0.291 nan 8.370 nan 0.000 0.481 706 T N 0.177 114.638 114.554 -0.155 0.000 3.065 706 T HA -0.046 4.303 4.350 -0.000 0.000 0.252 706 T C 0.622 175.236 174.700 -0.143 0.000 1.099 706 T CA -0.281 61.755 62.100 -0.106 0.000 1.063 706 T CB 0.419 69.268 68.868 -0.031 0.000 0.948 706 T HN 0.066 nan 8.240 nan 0.000 0.506 707 D N 1.973 122.219 120.400 -0.257 0.000 2.455 707 D HA 0.013 4.653 4.640 -0.000 0.000 0.241 707 D C -1.757 174.486 176.300 -0.096 0.000 1.138 707 D CA -1.563 52.283 54.000 -0.257 0.000 0.877 707 D CB 1.730 42.325 40.800 -0.340 0.000 1.187 707 D HN 0.030 nan 8.370 nan 0.000 0.451 708 P HA -0.060 nan 4.420 nan 0.000 0.218 708 P C 0.833 177.957 177.300 -0.293 0.000 1.149 708 P CA 1.076 64.048 63.100 -0.213 0.000 0.817 708 P CB 0.137 31.544 31.700 -0.488 0.000 0.785 709 A N -1.016 121.673 122.820 -0.219 0.000 2.178 709 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 709 A C 0.528 178.118 177.584 0.011 0.000 1.157 709 A CA 0.785 52.758 52.037 -0.108 0.000 0.689 709 A CB -1.667 17.439 19.000 0.178 0.000 0.787 709 A HN 0.362 nan 8.150 nan 0.000 0.465 710 H N -0.663 118.311 119.070 -0.160 0.000 2.692 710 H HA -0.146 4.410 4.556 -0.000 0.000 0.316 710 H C 0.173 175.423 175.328 -0.131 0.000 1.176 710 H CA 0.201 56.163 56.048 -0.143 0.000 1.142 710 H CB -1.160 28.523 29.762 -0.131 0.000 1.475 710 H HN 0.833 nan 8.280 nan 0.000 0.423 711 R N 0.397 120.844 120.500 -0.087 0.000 2.649 711 R HA 0.193 4.533 4.340 -0.000 0.000 0.270 711 R C 0.099 176.284 176.300 -0.192 0.000 1.105 711 R CA -0.821 55.160 56.100 -0.197 0.000 1.193 711 R CB 0.788 30.810 30.300 -0.463 0.000 1.120 711 R HN 0.064 nan 8.270 nan 0.000 0.561 712 D N 0.748 121.028 120.400 -0.200 0.000 2.531 712 D HA -0.058 4.582 4.640 -0.000 0.000 0.239 712 D C 0.649 176.844 176.300 -0.175 0.000 1.144 712 D CA 0.327 54.229 54.000 -0.163 0.000 0.869 712 D CB 0.712 41.423 40.800 -0.149 0.000 1.160 712 D HN 0.429 nan 8.370 nan 0.000 0.484 713 R N 2.933 123.343 120.500 -0.150 0.000 2.328 713 R HA -0.024 4.316 4.340 -0.000 0.000 0.207 713 R C 1.393 177.610 176.300 -0.138 0.000 1.056 713 R CA 0.535 56.548 56.100 -0.146 0.000 1.016 713 R CB 0.262 30.482 30.300 -0.134 0.000 0.872 713 R HN 0.297 nan 8.270 nan 0.000 0.471 714 R N 0.172 120.589 120.500 -0.139 0.000 2.334 714 R HA 0.086 4.426 4.340 -0.000 0.000 0.216 714 R C 0.021 176.239 176.300 -0.137 0.000 0.905 714 R CA 0.037 56.055 56.100 -0.136 0.000 1.064 714 R CB 0.432 30.654 30.300 -0.130 0.000 1.046 714 R HN 0.012 nan 8.270 nan 0.000 0.508 715 T N 4.545 119.006 114.554 -0.154 0.000 2.849 715 T HA 0.002 4.352 4.350 -0.000 0.000 0.289 715 T C -2.141 172.482 174.700 -0.128 0.000 1.010 715 T CA -0.549 61.454 62.100 -0.162 0.000 1.161 715 T CB 0.475 69.216 68.868 -0.212 0.000 0.989 715 T HN 0.105 nan 8.240 nan 0.000 0.523 716 P HA 0.251 nan 4.420 nan 0.000 0.268 716 P C -0.588 176.645 177.300 -0.111 0.000 1.205 716 P CA -0.070 62.977 63.100 -0.087 0.000 0.771 716 P CB 0.555 32.222 31.700 -0.055 0.000 0.858 717 I N 2.165 122.681 120.570 -0.090 0.000 2.436 717 I HA 0.274 4.444 4.170 -0.000 0.000 0.289 717 I C 0.101 176.164 176.117 -0.090 0.000 1.010 717 I CA -0.319 60.924 61.300 -0.095 0.000 1.098 717 I CB 2.025 39.987 38.000 -0.063 0.000 1.266 717 I HN 0.156 nan 8.210 nan 0.000 0.434 718 T N 5.389 119.866 114.554 -0.129 0.000 2.815 718 T HA 0.341 4.691 4.350 -0.000 0.000 0.289 718 T C -0.257 174.469 174.700 0.042 0.000 1.000 718 T CA -0.424 61.630 62.100 -0.076 0.000 0.958 718 T CB 1.599 70.349 68.868 -0.196 0.000 0.944 718 T HN 0.138 nan 8.240 nan 0.000 0.442 719 V N 4.684 124.610 119.914 0.019 0.000 2.408 719 V HA 0.346 4.466 4.120 -0.000 0.000 0.267 719 V C 0.171 176.262 176.094 -0.004 0.000 1.047 719 V CA -0.406 61.899 62.300 0.009 0.000 0.937 719 V CB 1.041 32.846 31.823 -0.030 0.000 0.999 719 V HN 0.646 nan 8.190 nan 0.000 0.472 720 V N 5.587 125.482 119.914 -0.032 0.000 2.628 720 V HA 0.540 4.660 4.120 -0.000 0.000 0.306 720 V C -0.113 175.809 176.094 -0.286 0.000 1.045 720 V CA -0.984 61.241 62.300 -0.125 0.000 0.905 720 V CB 2.228 33.926 31.823 -0.208 0.000 0.997 720 V HN 0.782 nan 8.190 nan 0.000 0.436 721 K N 2.263 122.521 120.400 -0.236 0.000 2.164 721 K HA 0.388 4.707 4.320 -0.000 0.000 0.258 721 K C -0.208 176.203 176.600 -0.315 0.000 0.951 721 K CA -0.466 55.629 56.287 -0.321 0.000 0.844 721 K CB 1.307 33.727 32.500 -0.135 0.000 1.099 721 K HN 0.701 nan 8.250 nan 0.000 0.435 722 Q N 1.123 120.525 119.800 -0.663 0.000 2.320 722 Q HA 0.038 4.378 4.340 -0.000 0.000 0.311 722 Q C 0.461 176.297 176.000 -0.273 0.000 1.083 722 Q CA 1.618 57.087 55.803 -0.556 0.000 1.001 722 Q CB -0.101 28.146 28.738 -0.818 0.000 1.074 722 Q HN 0.859 nan 8.270 nan 0.000 0.379 723 G N 3.704 112.418 108.800 -0.143 0.000 2.176 723 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.253 723 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.253 723 G C 0.007 174.525 174.900 -0.637 0.000 0.979 723 G CA 0.161 45.091 45.100 -0.284 0.000 0.641 723 G HN 0.656 nan 8.290 nan 0.000 0.530 724 F N 1.062 121.067 119.950 0.092 0.000 2.777 724 F HA 0.412 4.939 4.527 -0.000 0.000 0.361 724 F C 0.324 176.161 175.800 0.061 0.000 1.254 724 F CA -0.776 57.269 58.000 0.076 0.000 1.181 724 F CB 0.733 39.738 39.000 0.009 0.000 1.082 724 F HN -0.020 nan 8.300 nan 0.000 0.510 725 E N 3.530 123.830 120.200 0.167 0.000 2.360 725 E HA 0.148 4.497 4.350 -0.000 0.000 0.269 725 E C -2.191 174.429 176.600 0.035 0.000 1.022 725 E CA -1.576 54.833 56.400 0.015 0.000 0.887 725 E CB 0.135 29.809 29.700 -0.042 0.000 0.990 725 E HN 0.035 nan 8.360 nan 0.000 0.426 726 P HA 0.117 nan 4.420 nan 0.000 0.276 726 P C -2.192 175.005 177.300 -0.171 0.000 1.261 726 P CA -1.655 61.393 63.100 -0.087 0.000 0.800 726 P CB 0.828 32.433 31.700 -0.158 0.000 1.066 727 P HA -0.173 nan 4.420 nan 0.000 0.216 727 P C 1.728 178.850 177.300 -0.297 0.000 1.153 727 P CA 2.103 64.965 63.100 -0.396 0.000 0.858 727 P CB -0.432 30.814 31.700 -0.756 0.000 0.789 728 S N -2.547 113.032 115.700 -0.202 0.000 2.547 728 S HA -0.114 4.356 4.470 -0.000 0.000 0.235 728 S C 1.622 176.172 174.600 -0.083 0.000 0.980 728 S CA 0.504 58.660 58.200 -0.074 0.000 0.941 728 S CB -1.325 61.957 63.200 0.137 0.000 0.763 728 S HN 0.123 nan 8.310 nan 0.000 0.532 729 F N 2.402 122.137 119.950 -0.358 0.000 2.390 729 F HA 0.178 4.705 4.527 -0.000 0.000 0.281 729 F C 2.180 177.858 175.800 -0.204 0.000 1.016 729 F CA 0.745 58.460 58.000 -0.475 0.000 1.286 729 F CB -0.312 38.307 39.000 -0.635 0.000 1.134 729 F HN 0.075 nan 8.300 nan 0.000 0.597 730 V N -0.105 119.638 119.914 -0.285 0.000 2.490 730 V HA -0.056 4.064 4.120 -0.000 0.000 0.250 730 V C 2.276 178.249 176.094 -0.202 0.000 1.061 730 V CA 2.063 64.019 62.300 -0.574 0.000 1.064 730 V CB -2.028 29.190 31.823 -1.008 0.000 0.670 730 V HN 0.413 nan 8.190 nan 0.000 0.461 731 G N -1.010 107.639 108.800 -0.252 0.000 2.501 731 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 731 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 731 G C 1.130 175.871 174.900 -0.266 0.000 1.114 731 G CA 0.659 45.604 45.100 -0.258 0.000 0.757 731 G HN 0.732 nan 8.290 nan 0.000 0.559 732 W N -0.774 120.459 121.300 -0.111 0.000 2.770 732 W HA 0.380 5.039 4.660 -0.000 0.000 0.256 732 W C -0.078 176.334 176.519 -0.178 0.000 1.291 732 W CA -0.856 56.385 57.345 -0.173 0.000 1.396 732 W CB 0.239 29.452 29.460 -0.410 0.000 1.114 732 W HN -0.059 nan 8.180 nan 0.000 0.637 733 F N 0.531 120.578 119.950 0.163 0.000 2.361 733 F HA 0.222 4.749 4.527 -0.000 0.000 0.364 733 F C 0.826 176.737 175.800 0.186 0.000 1.117 733 F CA -0.891 57.248 58.000 0.232 0.000 1.071 733 F CB 0.763 39.958 39.000 0.326 0.000 1.188 733 F HN -0.337 nan 8.300 nan 0.000 0.464 734 L N 2.739 124.128 121.223 0.277 0.000 2.450 734 L HA 0.052 4.391 4.340 -0.000 0.000 0.224 734 L C 1.809 178.772 176.870 0.156 0.000 1.149 734 L CA 1.220 56.170 54.840 0.184 0.000 0.816 734 L CB -0.572 41.571 42.059 0.140 0.000 0.932 734 L HN 0.781 nan 8.230 nan 0.000 0.449 735 G N -2.568 106.337 108.800 0.176 0.000 4.144 735 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.297 735 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.297 735 G C -0.263 174.681 174.900 0.072 0.000 1.090 735 G CA -0.439 44.714 45.100 0.089 0.000 0.870 735 G HN 0.100 nan 8.290 nan 0.000 0.532 736 W N 1.940 123.236 121.300 -0.006 0.000 2.322 736 W HA 0.320 4.979 4.660 -0.000 0.000 0.328 736 W C -1.193 175.290 176.519 -0.059 0.000 1.395 736 W CA 0.420 57.724 57.345 -0.069 0.000 1.267 736 W CB 1.023 30.473 29.460 -0.017 0.000 1.259 736 W HN 0.192 nan 8.180 nan 0.000 0.560 737 D N 3.775 123.892 120.400 -0.472 0.000 2.481 737 D HA 0.143 4.782 4.640 -0.000 0.000 0.246 737 D C 0.252 176.378 176.300 -0.289 0.000 1.109 737 D CA -0.390 53.472 54.000 -0.230 0.000 0.845 737 D CB 1.201 41.891 40.800 -0.185 0.000 1.160 737 D HN 0.265 nan 8.370 nan 0.000 0.534 738 D N 1.099 121.522 120.400 0.039 0.000 2.350 738 D HA -0.060 4.580 4.640 -0.000 0.000 0.216 738 D C 1.135 177.485 176.300 0.083 0.000 0.968 738 D CA 0.875 54.970 54.000 0.160 0.000 0.894 738 D CB 0.399 41.336 40.800 0.229 0.000 0.909 738 D HN 0.235 nan 8.370 nan 0.000 0.520 739 S N -0.850 114.851 115.700 0.002 0.000 2.517 739 S HA -0.023 4.447 4.470 -0.000 0.000 0.214 739 S C 1.412 175.969 174.600 -0.072 0.000 0.991 739 S CA -0.503 57.694 58.200 -0.005 0.000 0.906 739 S CB -0.215 62.975 63.200 -0.016 0.000 0.789 739 S HN 0.339 nan 8.310 nan 0.000 0.513 740 Y N 1.576 121.672 120.300 -0.341 0.000 2.172 740 Y HA -0.259 4.290 4.550 -0.000 0.000 0.280 740 Y C 1.394 177.023 175.900 -0.451 0.000 1.209 740 Y CA 1.845 59.620 58.100 -0.541 0.000 1.171 740 Y CB -0.144 37.709 38.460 -1.011 0.000 0.965 740 Y HN 0.364 nan 8.280 nan 0.000 0.520 741 W N -0.746 120.511 121.300 -0.072 0.000 3.278 741 W HA 0.137 4.796 4.660 -0.000 0.000 0.308 741 W C 2.121 178.584 176.519 -0.094 0.000 1.253 741 W CA 0.690 57.980 57.345 -0.092 0.000 1.759 741 W CB -0.584 28.896 29.460 0.033 0.000 1.093 741 W HN 0.080 nan 8.180 nan 0.000 0.648 742 S N 0.637 116.378 115.700 0.069 0.000 2.359 742 S HA -0.145 4.325 4.470 -0.000 0.000 0.224 742 S C 0.868 175.468 174.600 0.001 0.000 1.035 742 S CA 1.033 59.255 58.200 0.036 0.000 1.018 742 S CB -0.399 62.803 63.200 0.002 0.000 0.876 742 S HN -0.010 nan 8.310 nan 0.000 0.448 743 V N 2.038 121.915 119.914 -0.062 0.000 2.513 743 V HA 0.406 4.526 4.120 -0.000 0.000 0.299 743 V C -0.862 175.167 176.094 -0.108 0.000 1.035 743 V CA -1.160 61.094 62.300 -0.076 0.000 0.889 743 V CB 1.584 33.349 31.823 -0.097 0.000 0.988 743 V HN 0.277 nan 8.190 nan 0.000 0.440 744 D N 7.806 128.172 120.400 -0.056 0.000 2.487 744 D HA 0.151 4.791 4.640 -0.000 0.000 0.243 744 D C -1.198 175.037 176.300 -0.109 0.000 1.154 744 D CA -0.602 53.374 54.000 -0.040 0.000 0.876 744 D CB 1.453 42.250 40.800 -0.005 0.000 1.161 744 D HN 0.456 nan 8.370 nan 0.000 0.478 745 P HA -0.205 nan 4.420 nan 0.000 0.215 745 P C 1.635 178.888 177.300 -0.078 0.000 1.153 745 P CA 0.603 63.590 63.100 -0.188 0.000 0.853 745 P CB 0.129 31.755 31.700 -0.123 0.000 0.788 746 L N 0.764 121.975 121.223 -0.019 0.000 2.079 746 L HA -0.134 4.205 4.340 -0.000 0.000 0.210 746 L C 1.746 178.591 176.870 -0.040 0.000 1.081 746 L CA 2.099 56.928 54.840 -0.018 0.000 0.752 746 L CB -1.431 40.633 42.059 0.007 0.000 0.896 746 L HN -0.179 nan 8.230 nan 0.000 0.433 747 D N -0.999 119.375 120.400 -0.043 0.000 2.183 747 D HA -0.161 4.479 4.640 -0.000 0.000 0.203 747 D C 2.181 178.443 176.300 -0.063 0.000 0.969 747 D CA 0.758 54.729 54.000 -0.048 0.000 0.842 747 D CB -0.148 40.628 40.800 -0.041 0.000 0.957 747 D HN 0.394 nan 8.370 nan 0.000 0.484 748 R N 1.030 121.479 120.500 -0.084 0.000 2.062 748 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 748 R C 2.116 178.369 176.300 -0.079 0.000 1.136 748 R CA 1.414 57.456 56.100 -0.097 0.000 0.948 748 R CB -0.209 30.002 30.300 -0.148 0.000 0.845 748 R HN 0.067 nan 8.270 nan 0.000 0.430 749 A N 1.161 123.936 122.820 -0.075 0.000 1.933 749 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 749 A C 2.005 179.552 177.584 -0.063 0.000 1.175 749 A CA 1.011 53.010 52.037 -0.063 0.000 0.628 749 A CB -0.496 18.470 19.000 -0.057 0.000 0.814 749 A HN 0.321 nan 8.150 nan 0.000 0.444 750 L N -0.720 120.465 121.223 -0.063 0.000 2.450 750 L HA -0.030 4.310 4.340 -0.000 0.000 0.224 750 L C 2.561 179.391 176.870 -0.067 0.000 1.149 750 L CA 1.341 56.141 54.840 -0.068 0.000 0.816 750 L CB -0.722 41.298 42.059 -0.065 0.000 0.932 750 L HN 0.413 nan 8.230 nan 0.000 0.449 751 A N -1.901 120.883 122.820 -0.061 0.000 2.081 751 A HA -0.021 4.299 4.320 -0.000 0.000 0.214 751 A C 2.167 179.718 177.584 -0.055 0.000 1.158 751 A CA 0.510 52.514 52.037 -0.056 0.000 0.724 751 A CB -0.140 18.827 19.000 -0.054 0.000 0.826 751 A HN 0.407 nan 8.150 nan 0.000 0.463 752 E N -0.520 119.645 120.200 -0.057 0.000 2.250 752 E HA 0.018 4.367 4.350 -0.000 0.000 0.192 752 E C 1.435 178.001 176.600 -0.057 0.000 0.986 752 E CA 0.274 56.641 56.400 -0.054 0.000 0.849 752 E CB 0.060 29.728 29.700 -0.053 0.000 0.797 752 E HN 0.405 nan 8.360 nan 0.000 0.482 753 L N -0.103 121.081 121.223 -0.064 0.000 2.221 753 L HA 0.124 4.464 4.340 -0.000 0.000 0.202 753 L C 1.954 178.778 176.870 -0.077 0.000 1.074 753 L CA 0.727 55.524 54.840 -0.071 0.000 0.795 753 L CB -0.732 41.281 42.059 -0.077 0.000 0.960 753 L HN -0.058 nan 8.230 nan 0.000 0.458 754 A N -0.166 122.605 122.820 -0.080 0.000 2.346 754 A HA 0.521 4.841 4.320 -0.000 0.000 0.242 754 A C 0.816 178.363 177.584 -0.061 0.000 1.323 754 A CA 0.539 52.526 52.037 -0.083 0.000 0.940 754 A CB -0.626 18.319 19.000 -0.092 0.000 0.943 754 A HN 0.307 nan 8.150 nan 0.000 0.501 755 A N 0.000 122.787 122.820 -0.055 0.000 2.254 755 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 755 A CA 0.000 52.011 52.037 -0.044 0.000 0.836 755 A CB 0.000 18.975 19.000 -0.042 0.000 0.831 755 A HN 0.000 nan 8.150 nan 0.000 0.486