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 2g96_1_B DATA FIRST_RESID 9 DATA SEQUENCE FNILLATDSY KVTHYKQYPP NTSKVYSYFE CREXXXXXXX XXXXXYEETV DATA SEQUENCE FYGLQYILNK YLKGKVVTKE KIQEAKEVYR EHFQDDVFNE RGWNYILEKY DATA SEQUENCE DGHLPIEVKA VPEGSVIPRG NVLFTVENTD PECYWLTNWI ETILVQSWYP DATA SEQUENCE ITVATNSREQ KKILAKYLLE TSGNLDGLEY KLHDFGYRGV SSQETAGIGA DATA SEQUENCE SAHLVNFKGT DTVAGIALIK KYYGTKDPVP GYSVPAAEHS TITAWGKDHE DATA SEQUENCE KDAFEHIVTQ FSSVPVSVVS DSYDIYNACE KIWGEDLRHL IVSRSTEAPL DATA SEQUENCE IIRPDSGNPL DTVLKVLDIL GKKFPVSENS KGYKLLPPYL RVIQGDGVDI DATA SEQUENCE NTLQEIVEGM KQKKWSIENV SFGSGGALLQ KLTRDLLNCS FKCSYVVTNG DATA SEQUENCE LGVNVFKDPV ADPNKRSKKG RLSLHRTPAG TFVTLEEGKG DLEEYGHDLL DATA SEQUENCE HTVFKNGKVT KSYSFDEVRK NAQLN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 F HA 0.000 nan 4.527 nan 0.000 0.279 9 F C 0.000 175.782 175.800 -0.030 0.000 0.967 9 F CA 0.000 57.981 58.000 -0.031 0.000 1.383 9 F CB 0.000 38.955 39.000 -0.076 0.000 1.145 10 N N 3.105 120.884 118.700 -1.536 0.000 3.466 10 N HA 0.130 4.870 4.740 -0.000 0.000 0.217 10 N C -0.292 174.596 175.510 -1.037 0.000 1.265 10 N CA -0.212 52.282 53.050 -0.927 0.000 0.887 10 N CB 0.755 38.943 38.487 -0.498 0.000 1.626 10 N HN 0.732 nan 8.380 nan 0.000 0.700 11 I N 4.051 124.269 120.570 -0.586 0.000 2.423 11 I HA -0.102 4.068 4.170 -0.000 0.000 0.254 11 I C 1.422 177.639 176.117 0.167 0.000 1.151 11 I CA 1.359 62.659 61.300 -0.001 0.000 1.421 11 I CB 0.065 38.236 38.000 0.284 0.000 1.079 11 I HN 0.676 nan 8.210 nan 0.000 0.431 12 L N -0.315 120.826 121.223 -0.136 0.000 2.353 12 L HA -0.097 4.242 4.340 -0.000 0.000 0.220 12 L C 1.313 178.364 176.870 0.300 0.000 1.133 12 L CA 1.128 55.949 54.840 -0.032 0.000 0.798 12 L CB -0.713 41.035 42.059 -0.519 0.000 0.922 12 L HN 0.321 nan 8.230 nan 0.000 0.445 13 L N -0.841 120.395 121.223 0.021 0.000 3.289 13 L HA 0.317 4.657 4.340 -0.000 0.000 0.291 13 L C 0.532 177.415 176.870 0.021 0.000 1.279 13 L CA -0.130 54.704 54.840 -0.009 0.000 1.025 13 L CB 0.479 42.387 42.059 -0.253 0.000 1.413 13 L HN -0.016 nan 8.230 nan 0.000 0.593 14 A N -0.076 122.819 122.820 0.126 0.000 3.105 14 A HA 0.617 4.937 4.320 -0.000 0.000 0.297 14 A C -0.021 177.642 177.584 0.131 0.000 0.977 14 A CA -0.147 51.989 52.037 0.165 0.000 1.020 14 A CB 0.490 19.697 19.000 0.345 0.000 1.098 14 A HN 0.134 nan 8.150 nan 0.000 0.497 15 T N -0.806 113.746 114.554 -0.004 0.000 2.868 15 T HA 0.364 4.714 4.350 -0.000 0.000 0.306 15 T C -1.563 173.061 174.700 -0.127 0.000 1.224 15 T CA -0.557 61.439 62.100 -0.172 0.000 1.012 15 T CB 1.123 69.594 68.868 -0.662 0.000 1.221 15 T HN 0.276 nan 8.240 nan 0.000 0.499 16 D N 2.148 122.506 120.400 -0.069 0.000 2.472 16 D HA 0.109 4.749 4.640 -0.000 0.000 0.237 16 D C 1.140 177.466 176.300 0.043 0.000 1.141 16 D CA 0.312 54.359 54.000 0.080 0.000 0.875 16 D CB 1.314 42.331 40.800 0.362 0.000 1.192 16 D HN 0.494 nan 8.370 nan 0.000 0.450 17 S N 1.524 117.299 115.700 0.125 0.000 2.359 17 S HA -0.241 4.229 4.470 -0.000 0.000 0.223 17 S C 1.903 176.622 174.600 0.198 0.000 1.039 17 S CA 1.300 59.599 58.200 0.165 0.000 1.042 17 S CB -0.520 62.762 63.200 0.137 0.000 0.915 17 S HN 0.713 nan 8.310 nan 0.000 0.439 18 Y N 1.282 121.504 120.300 -0.130 0.000 2.365 18 Y HA -0.047 4.503 4.550 -0.000 0.000 0.287 18 Y C 1.744 177.319 175.900 -0.541 0.000 1.162 18 Y CA 0.940 58.944 58.100 -0.159 0.000 1.260 18 Y CB -0.476 37.927 38.460 -0.095 0.000 0.976 18 Y HN 0.095 nan 8.280 nan 0.000 0.548 19 K N 0.695 120.442 120.400 -1.088 0.000 2.442 19 K HA -0.029 4.291 4.320 -0.000 0.000 0.198 19 K C 1.620 177.785 176.600 -0.724 0.000 1.042 19 K CA 0.949 56.270 56.287 -1.610 0.000 0.958 19 K CB 0.036 31.958 32.500 -0.963 0.000 0.766 19 K HN 0.310 nan 8.250 nan 0.000 0.474 20 V N 0.961 120.575 119.914 -0.499 0.000 3.041 20 V HA -0.128 3.992 4.120 -0.000 0.000 0.260 20 V C 2.083 178.100 176.094 -0.128 0.000 1.105 20 V CA 1.928 64.066 62.300 -0.269 0.000 1.125 20 V CB -0.332 31.145 31.823 -0.577 0.000 0.730 20 V HN 0.461 nan 8.190 nan 0.000 0.479 21 T N -4.044 110.368 114.554 -0.237 0.000 3.060 21 T HA 0.015 4.365 4.350 -0.000 0.000 0.249 21 T C 1.603 176.108 174.700 -0.326 0.000 1.079 21 T CA 0.120 62.041 62.100 -0.299 0.000 1.013 21 T CB -0.245 68.569 68.868 -0.091 0.000 0.975 21 T HN 0.390 nan 8.240 nan 0.000 0.518 22 H N 1.624 120.511 119.070 -0.306 0.000 2.387 22 H HA -0.039 4.516 4.556 -0.000 0.000 0.299 22 H C 1.991 177.133 175.328 -0.309 0.000 1.090 22 H CA 1.523 57.371 56.048 -0.333 0.000 1.332 22 H CB -1.033 28.577 29.762 -0.255 0.000 1.386 22 H HN 0.750 nan 8.280 nan 0.000 0.516 23 Y N 2.210 122.574 120.300 0.108 0.000 2.096 23 Y HA -0.297 4.253 4.550 -0.001 0.000 0.278 23 Y C 1.897 177.918 175.900 0.200 0.000 1.192 23 Y CA 1.782 59.987 58.100 0.175 0.000 1.143 23 Y CB -0.720 37.697 38.460 -0.073 0.000 0.963 23 Y HN 0.251 nan 8.280 nan 0.000 0.505 24 K N 0.445 120.697 120.400 -0.246 0.000 2.458 24 K HA 0.090 4.410 4.320 -0.000 0.000 0.194 24 K C 1.081 177.644 176.600 -0.062 0.000 1.024 24 K CA 0.627 56.906 56.287 -0.013 0.000 1.108 24 K CB -0.116 32.315 32.500 -0.115 0.000 0.846 24 K HN 0.528 nan 8.250 nan 0.000 0.518 25 Q N 0.026 119.731 119.800 -0.159 0.000 2.356 25 Q HA 0.120 4.460 4.340 -0.000 0.000 0.205 25 Q C -0.411 175.504 176.000 -0.142 0.000 0.901 25 Q CA -0.032 55.662 55.803 -0.183 0.000 0.938 25 Q CB 0.134 28.705 28.738 -0.278 0.000 1.081 25 Q HN 0.353 nan 8.270 nan 0.000 0.517 26 Y N 1.337 121.689 120.300 0.088 0.000 2.298 26 Y HA 0.176 4.726 4.550 -0.000 0.000 0.329 26 Y C -1.816 174.104 175.900 0.033 0.000 1.293 26 Y CA -2.672 55.482 58.100 0.091 0.000 1.388 26 Y CB 0.371 38.963 38.460 0.220 0.000 1.309 26 Y HN -0.031 nan 8.280 nan 0.000 0.544 27 P HA 0.061 nan 4.420 nan 0.000 0.268 27 P C -2.602 174.717 177.300 0.032 0.000 1.204 27 P CA -0.946 62.201 63.100 0.078 0.000 0.768 27 P CB 0.105 31.831 31.700 0.042 0.000 0.842 28 P HA -0.003 nan 4.420 nan 0.000 0.263 28 P C -0.372 176.886 177.300 -0.069 0.000 1.195 28 P CA 0.782 63.872 63.100 -0.018 0.000 0.762 28 P CB -0.107 31.591 31.700 -0.002 0.000 0.799 29 N N 0.237 118.858 118.700 -0.131 0.000 2.858 29 N HA -0.115 4.625 4.740 -0.000 0.000 0.247 29 N C -1.071 174.317 175.510 -0.204 0.000 1.092 29 N CA 0.798 53.753 53.050 -0.160 0.000 0.675 29 N CB -1.635 36.797 38.487 -0.091 0.000 0.959 29 N HN 0.264 nan 8.380 nan 0.000 0.558 30 T N -0.202 114.143 114.554 -0.348 0.000 2.853 30 T HA 0.295 4.644 4.350 -0.000 0.000 0.317 30 T C 1.301 175.770 174.700 -0.385 0.000 1.059 30 T CA 0.001 61.905 62.100 -0.328 0.000 0.954 30 T CB 0.865 69.539 68.868 -0.322 0.000 0.994 30 T HN 0.349 nan 8.240 nan 0.000 0.479 31 S N 2.541 118.122 115.700 -0.198 0.000 2.522 31 S HA 0.112 4.581 4.470 -0.000 0.000 0.227 31 S C 0.640 175.241 174.600 0.001 0.000 0.986 31 S CA 0.156 58.304 58.200 -0.087 0.000 0.929 31 S CB 0.015 63.184 63.200 -0.051 0.000 0.769 31 S HN 0.455 nan 8.310 nan 0.000 0.529 32 K N 0.236 120.610 120.400 -0.043 0.000 2.535 32 K HA 0.607 4.927 4.320 -0.000 0.000 0.251 32 K C -2.091 174.485 176.600 -0.039 0.000 0.942 32 K CA -0.532 55.752 56.287 -0.005 0.000 0.798 32 K CB 2.369 34.860 32.500 -0.015 0.000 1.267 32 K HN -0.027 nan 8.250 nan 0.000 0.434 33 V N 5.257 125.187 119.914 0.028 0.000 2.407 33 V HA 0.387 4.507 4.120 -0.000 0.000 0.291 33 V C -1.549 174.655 176.094 0.184 0.000 1.018 33 V CA -0.677 61.640 62.300 0.029 0.000 0.842 33 V CB 1.230 33.024 31.823 -0.048 0.000 0.996 33 V HN 0.756 nan 8.190 nan 0.000 0.426 34 Y N 4.575 124.930 120.300 0.091 0.000 2.388 34 Y HA 0.670 5.220 4.550 -0.000 0.000 0.328 34 Y C 0.105 176.087 175.900 0.137 0.000 0.963 34 Y CA -0.047 58.153 58.100 0.167 0.000 1.240 34 Y CB 1.465 40.112 38.460 0.313 0.000 1.118 34 Y HN 0.578 nan 8.280 nan 0.000 0.484 35 S N 5.587 121.110 115.700 -0.294 0.000 2.568 35 S HA 0.575 5.044 4.470 -0.000 0.000 0.302 35 S C -1.387 172.795 174.600 -0.696 0.000 1.082 35 S CA -0.597 57.303 58.200 -0.499 0.000 1.009 35 S CB 1.116 63.911 63.200 -0.676 0.000 1.069 35 S HN 0.689 nan 8.310 nan 0.000 0.500 36 Y N -0.218 119.645 120.300 -0.729 0.000 2.693 36 Y HA 0.853 5.403 4.550 -0.000 0.000 0.331 36 Y C -1.350 174.190 175.900 -0.600 0.000 1.092 36 Y CA -1.649 56.111 58.100 -0.566 0.000 1.131 36 Y CB 0.785 39.025 38.460 -0.368 0.000 1.318 36 Y HN 0.523 nan 8.280 nan 0.000 0.510 37 F N 1.567 121.061 119.950 -0.760 0.000 2.529 37 F HA 0.566 5.092 4.527 -0.001 0.000 0.320 37 F C -0.923 174.686 175.800 -0.319 0.000 1.118 37 F CA -0.425 57.098 58.000 -0.795 0.000 0.915 37 F CB 1.530 39.485 39.000 -1.741 0.000 1.161 37 F HN 0.811 nan 8.300 nan 0.000 0.445 38 E N 2.967 122.874 120.200 -0.488 0.000 2.456 38 E HA 0.532 4.882 4.350 -0.000 0.000 0.276 38 E C -1.816 174.631 176.600 -0.256 0.000 0.981 38 E CA -1.130 55.182 56.400 -0.147 0.000 0.814 38 E CB 1.657 31.403 29.700 0.077 0.000 1.382 38 E HN 0.455 nan 8.360 nan 0.000 0.459 39 C N 2.198 121.464 119.300 -0.056 0.000 2.288 39 C HA 0.417 4.877 4.460 -0.000 0.000 0.328 39 C C 0.377 175.363 174.990 -0.007 0.000 1.071 39 C CA -0.610 58.399 59.018 -0.015 0.000 1.594 39 C CB -1.411 26.376 27.740 0.078 0.000 1.700 39 C HN 0.495 nan 8.230 nan 0.000 0.436 40 R N 1.580 122.060 120.500 -0.034 0.000 2.767 40 R HA 0.027 4.367 4.340 -0.000 0.000 0.264 40 R C 0.453 176.761 176.300 0.013 0.000 0.987 40 R CA 0.772 56.868 56.100 -0.007 0.000 1.114 40 R CB 0.717 31.007 30.300 -0.016 0.000 0.976 40 R HN 0.699 nan 8.270 nan 0.000 0.437 55 E N 1.416 121.722 120.200 0.176 0.000 2.065 55 E HA -0.041 4.308 4.350 -0.000 0.000 0.191 55 E C 0.370 177.021 176.600 0.084 0.000 0.960 55 E CA 0.439 56.903 56.400 0.107 0.000 0.824 55 E CB 0.402 30.149 29.700 0.078 0.000 0.793 55 E HN 0.545 nan 8.360 nan 0.000 0.459 56 E N 2.100 122.342 120.200 0.070 0.000 2.156 56 E HA 0.235 4.585 4.350 -0.000 0.000 0.279 56 E C -0.591 176.023 176.600 0.025 0.000 0.965 56 E CA -0.547 55.873 56.400 0.034 0.000 0.789 56 E CB 1.377 31.091 29.700 0.023 0.000 1.098 56 E HN -0.086 nan 8.360 nan 0.000 0.397 57 T N -0.496 114.069 114.554 0.019 0.000 2.945 57 T HA 0.447 4.796 4.350 -0.000 0.000 0.286 57 T C 0.114 174.825 174.700 0.020 0.000 1.025 57 T CA -0.860 61.256 62.100 0.026 0.000 1.039 57 T CB 1.468 70.385 68.868 0.080 0.000 1.068 57 T HN 0.297 nan 8.240 nan 0.000 0.497 58 V N 2.589 122.508 119.914 0.008 0.000 2.432 58 V HA 0.367 4.487 4.120 -0.000 0.000 0.275 58 V C -0.419 175.724 176.094 0.082 0.000 1.043 58 V CA -0.802 61.495 62.300 -0.004 0.000 0.925 58 V CB 0.472 32.244 31.823 -0.086 0.000 0.985 58 V HN 0.851 nan 8.190 nan 0.000 0.466 59 F N 7.580 127.517 119.950 -0.022 0.000 2.368 59 F HA 0.572 5.098 4.527 -0.000 0.000 0.362 59 F C -0.747 175.088 175.800 0.058 0.000 1.137 59 F CA -0.746 57.268 58.000 0.023 0.000 1.161 59 F CB 0.107 39.116 39.000 0.014 0.000 1.265 59 F HN 0.517 nan 8.300 nan 0.000 0.530 60 Y N 4.320 124.234 120.300 -0.643 0.000 2.524 60 Y HA 0.643 5.193 4.550 -0.001 0.000 0.347 60 Y C 0.275 175.865 175.900 -0.517 0.000 1.005 60 Y CA -0.581 57.186 58.100 -0.554 0.000 1.025 60 Y CB 2.133 40.369 38.460 -0.374 0.000 1.275 60 Y HN 0.675 nan 8.280 nan 0.000 0.460 61 G N 2.852 111.003 108.800 -1.082 0.000 2.561 61 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.203 61 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.203 61 G C 0.616 175.279 174.900 -0.396 0.000 1.101 61 G CA 0.140 44.791 45.100 -0.748 0.000 0.711 61 G HN 0.910 nan 8.290 nan 0.000 0.511 62 L N 1.679 122.616 121.223 -0.477 0.000 2.034 62 L HA -0.097 4.243 4.340 -0.000 0.000 0.217 62 L C 2.713 179.456 176.870 -0.212 0.000 1.077 62 L CA 3.458 58.093 54.840 -0.342 0.000 0.769 62 L CB -0.755 41.155 42.059 -0.250 0.000 0.890 62 L HN 0.655 nan 8.230 nan 0.000 0.435 63 Q N -2.224 117.505 119.800 -0.118 0.000 2.096 63 Q HA -0.296 4.043 4.340 -0.000 0.000 0.204 63 Q C 2.270 178.188 176.000 -0.135 0.000 0.982 63 Q CA 2.150 57.884 55.803 -0.114 0.000 0.850 63 Q CB -0.444 28.166 28.738 -0.214 0.000 0.901 63 Q HN 0.680 nan 8.270 nan 0.000 0.422 64 Y N 0.727 120.900 120.300 -0.212 0.000 2.114 64 Y HA -0.213 4.337 4.550 -0.001 0.000 0.284 64 Y C 1.736 177.455 175.900 -0.302 0.000 1.143 64 Y CA 1.851 59.778 58.100 -0.289 0.000 1.135 64 Y CB -0.402 37.903 38.460 -0.257 0.000 0.980 64 Y HN 0.124 nan 8.280 nan 0.000 0.499 65 I N -0.091 120.187 120.570 -0.487 0.000 2.226 65 I HA -0.343 3.827 4.170 -0.000 0.000 0.245 65 I C 2.464 178.382 176.117 -0.331 0.000 1.100 65 I CA 1.374 62.370 61.300 -0.506 0.000 1.374 65 I CB -0.545 37.222 38.000 -0.389 0.000 1.057 65 I HN 0.289 nan 8.210 nan 0.000 0.413 66 L N 0.412 121.469 121.223 -0.276 0.000 1.970 66 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 66 L C 2.324 179.141 176.870 -0.088 0.000 1.071 66 L CA 1.944 56.650 54.840 -0.223 0.000 0.751 66 L CB -0.898 41.084 42.059 -0.128 0.000 0.889 66 L HN 0.362 nan 8.230 nan 0.000 0.432 67 N N -0.125 118.553 118.700 -0.036 0.000 2.058 67 N HA -0.244 4.496 4.740 -0.000 0.000 0.191 67 N C 1.859 177.381 175.510 0.020 0.000 1.037 67 N CA 1.275 54.366 53.050 0.069 0.000 0.848 67 N CB -0.077 38.560 38.487 0.250 0.000 1.021 67 N HN 0.277 nan 8.380 nan 0.000 0.422 68 K N -0.340 119.970 120.400 -0.150 0.000 2.288 68 K HA -0.094 4.226 4.320 -0.000 0.000 0.201 68 K C 0.615 176.837 176.600 -0.631 0.000 1.048 68 K CA 1.104 57.173 56.287 -0.363 0.000 0.956 68 K CB 0.235 32.259 32.500 -0.793 0.000 0.746 68 K HN 0.252 nan 8.250 nan 0.000 0.461 69 Y N -1.464 118.597 120.300 -0.397 0.000 2.572 69 Y HA 0.186 4.736 4.550 -0.001 0.000 0.274 69 Y C 1.438 177.274 175.900 -0.107 0.000 1.135 69 Y CA -0.240 57.644 58.100 -0.361 0.000 1.230 69 Y CB 0.634 38.807 38.460 -0.479 0.000 1.293 69 Y HN -0.142 nan 8.280 nan 0.000 0.501 70 L N 0.149 121.370 121.223 -0.004 0.000 2.500 70 L HA 0.119 4.459 4.340 -0.000 0.000 0.219 70 L C 0.447 177.395 176.870 0.130 0.000 1.057 70 L CA 0.016 54.835 54.840 -0.035 0.000 0.854 70 L CB 0.083 41.917 42.059 -0.375 0.000 1.078 70 L HN -0.020 nan 8.230 nan 0.000 0.480 71 K N 0.615 121.148 120.400 0.222 0.000 2.126 71 K HA 0.608 4.928 4.320 -0.000 0.000 0.257 71 K C 0.426 177.059 176.600 0.054 0.000 1.007 71 K CA 0.372 56.881 56.287 0.370 0.000 0.928 71 K CB 0.567 33.300 32.500 0.388 0.000 1.013 71 K HN 0.107 nan 8.250 nan 0.000 0.473 72 G N 0.487 109.213 108.800 -0.124 0.000 2.568 72 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.222 72 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.222 72 G C -1.232 173.258 174.900 -0.683 0.000 1.321 72 G CA -0.025 44.897 45.100 -0.297 0.000 0.893 72 G HN 0.897 nan 8.290 nan 0.000 0.569 73 K N 0.577 120.780 120.400 -0.329 0.000 2.231 73 K HA 0.480 4.800 4.320 -0.000 0.000 0.275 73 K C 1.514 178.104 176.600 -0.016 0.000 1.105 73 K CA 0.179 56.389 56.287 -0.129 0.000 0.931 73 K CB 0.601 33.172 32.500 0.117 0.000 1.296 73 K HN 1.245 nan 8.250 nan 0.000 0.446 74 V N 1.808 121.730 119.914 0.014 0.000 3.471 74 V HA 0.147 4.267 4.120 -0.000 0.000 0.258 74 V C 0.209 176.355 176.094 0.087 0.000 1.192 74 V CA 0.028 62.379 62.300 0.086 0.000 1.116 74 V CB 0.504 32.413 31.823 0.144 0.000 0.792 74 V HN 0.229 nan 8.190 nan 0.000 0.459 75 V N 2.472 122.464 119.914 0.130 0.000 2.435 75 V HA 0.756 4.875 4.120 -0.000 0.000 0.290 75 V C 0.123 176.275 176.094 0.098 0.000 1.030 75 V CA 0.456 62.832 62.300 0.128 0.000 0.881 75 V CB 1.056 33.059 31.823 0.300 0.000 0.983 75 V HN 0.680 nan 8.190 nan 0.000 0.445 76 T N 0.028 114.609 114.554 0.044 0.000 2.900 76 T HA 0.409 4.758 4.350 -0.000 0.000 0.303 76 T C 0.611 175.327 174.700 0.027 0.000 1.142 76 T CA -0.584 61.540 62.100 0.039 0.000 1.007 76 T CB 2.016 70.894 68.868 0.016 0.000 1.156 76 T HN 0.731 nan 8.240 nan 0.000 0.490 77 K N 1.126 121.547 120.400 0.036 0.000 2.152 77 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 77 K C 1.330 177.935 176.600 0.008 0.000 1.048 77 K CA 1.886 58.194 56.287 0.035 0.000 0.933 77 K CB -0.307 32.213 32.500 0.034 0.000 0.721 77 K HN 0.665 nan 8.250 nan 0.000 0.447 78 E N 1.336 121.531 120.200 -0.009 0.000 2.072 78 E HA -0.087 4.262 4.350 -0.000 0.000 0.191 78 E C 1.871 178.429 176.600 -0.069 0.000 0.985 78 E CA 1.328 57.709 56.400 -0.032 0.000 0.801 78 E CB 0.043 29.725 29.700 -0.030 0.000 0.750 78 E HN 0.326 nan 8.360 nan 0.000 0.452 79 K N 0.245 120.594 120.400 -0.086 0.000 2.211 79 K HA -0.039 4.281 4.320 -0.000 0.000 0.203 79 K C 2.059 178.542 176.600 -0.194 0.000 1.050 79 K CA 0.802 56.994 56.287 -0.159 0.000 0.945 79 K CB -0.036 32.359 32.500 -0.174 0.000 0.732 79 K HN 0.163 nan 8.250 nan 0.000 0.451 80 I N 0.752 121.261 120.570 -0.101 0.000 2.133 80 I HA -0.279 3.890 4.170 -0.000 0.000 0.238 80 I C 2.651 178.768 176.117 -0.001 0.000 1.074 80 I CA 1.074 62.366 61.300 -0.013 0.000 1.342 80 I CB -0.355 37.714 38.000 0.116 0.000 1.053 80 I HN 0.107 nan 8.210 nan 0.000 0.404 81 Q N 1.451 121.252 119.800 0.002 0.000 2.096 81 Q HA -0.298 4.041 4.340 -0.000 0.000 0.208 81 Q C 2.015 177.963 176.000 -0.087 0.000 0.993 81 Q CA 2.211 58.011 55.803 -0.005 0.000 0.862 81 Q CB -0.356 28.377 28.738 -0.008 0.000 0.915 81 Q HN 0.481 nan 8.270 nan 0.000 0.416 82 E N -1.056 119.056 120.200 -0.146 0.000 2.058 82 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 82 E C 1.804 178.192 176.600 -0.354 0.000 0.997 82 E CA 1.149 57.423 56.400 -0.210 0.000 0.801 82 E CB -0.308 29.264 29.700 -0.214 0.000 0.746 82 E HN 0.442 nan 8.360 nan 0.000 0.450 83 A N 1.869 124.388 122.820 -0.502 0.000 1.873 83 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 83 A C 2.149 179.192 177.584 -0.902 0.000 1.193 83 A CA 2.199 53.676 52.037 -0.933 0.000 0.629 83 A CB -0.746 17.615 19.000 -1.066 0.000 0.826 83 A HN 0.317 nan 8.150 nan 0.000 0.447 84 K N -0.146 119.921 120.400 -0.555 0.000 2.015 84 K HA -0.276 4.044 4.320 -0.000 0.000 0.216 84 K C 1.936 178.515 176.600 -0.034 0.000 1.052 84 K CA 2.172 58.436 56.287 -0.038 0.000 0.937 84 K CB -0.308 32.323 32.500 0.218 0.000 0.719 84 K HN 0.679 nan 8.250 nan 0.000 0.446 85 E N -0.037 120.111 120.200 -0.086 0.000 2.077 85 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 85 E C 2.092 178.651 176.600 -0.067 0.000 0.989 85 E CA 1.543 57.913 56.400 -0.051 0.000 0.800 85 E CB -0.023 29.639 29.700 -0.063 0.000 0.746 85 E HN 0.156 nan 8.360 nan 0.000 0.452 86 V N 0.632 120.429 119.914 -0.196 0.000 2.307 86 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 86 V C 1.986 178.079 176.094 -0.002 0.000 1.045 86 V CA 1.709 63.896 62.300 -0.188 0.000 1.024 86 V CB -0.767 30.817 31.823 -0.398 0.000 0.651 86 V HN 0.315 nan 8.190 nan 0.000 0.449 87 Y N 0.088 120.375 120.300 -0.021 0.000 2.242 87 Y HA -0.213 4.337 4.550 -0.000 0.000 0.291 87 Y C 2.764 178.768 175.900 0.173 0.000 1.137 87 Y CA 1.146 59.308 58.100 0.102 0.000 1.181 87 Y CB -0.120 38.243 38.460 -0.162 0.000 0.989 87 Y HN 0.140 nan 8.280 nan 0.000 0.527 88 R N 1.136 121.781 120.500 0.241 0.000 2.241 88 R HA -0.167 4.172 4.340 -0.000 0.000 0.224 88 R C 1.515 177.935 176.300 0.199 0.000 1.101 88 R CA 1.622 57.841 56.100 0.198 0.000 0.995 88 R CB -0.174 30.209 30.300 0.138 0.000 0.870 88 R HN 0.262 nan 8.270 nan 0.000 0.463 89 E N -1.762 118.566 120.200 0.213 0.000 2.330 89 E HA -0.002 4.347 4.350 -0.000 0.000 0.200 89 E C 1.449 178.203 176.600 0.257 0.000 0.922 89 E CA 0.545 57.053 56.400 0.180 0.000 0.935 89 E CB -0.291 29.475 29.700 0.109 0.000 0.917 89 E HN 0.538 nan 8.360 nan 0.000 0.491 90 H N -1.105 118.106 119.070 0.236 0.000 2.290 90 H HA -0.134 4.422 4.556 -0.001 0.000 0.298 90 H C 0.942 176.355 175.328 0.142 0.000 1.087 90 H CA 1.750 57.921 56.048 0.206 0.000 1.291 90 H CB 0.080 30.064 29.762 0.371 0.000 1.369 90 H HN 0.218 nan 8.280 nan 0.000 0.492 91 F N 0.373 120.370 119.950 0.078 0.000 2.615 91 F HA 0.071 4.598 4.527 -0.001 0.000 0.297 91 F C 0.991 176.802 175.800 0.018 0.000 1.124 91 F CA 0.446 58.434 58.000 -0.019 0.000 1.451 91 F CB -0.115 38.894 39.000 0.016 0.000 1.103 91 F HN 0.177 nan 8.300 nan 0.000 0.569 92 Q N 0.984 120.933 119.800 0.248 0.000 2.460 92 Q HA -0.226 4.114 4.340 -0.000 0.000 0.311 92 Q C -1.289 174.800 176.000 0.148 0.000 1.396 92 Q CA 0.735 56.630 55.803 0.153 0.000 0.838 92 Q CB -1.504 27.289 28.738 0.091 0.000 1.140 92 Q HN 0.378 nan 8.270 nan 0.000 0.415 93 D N -0.929 119.576 120.400 0.176 0.000 2.712 93 D HA 0.046 4.686 4.640 -0.000 0.000 0.231 93 D C -1.337 175.040 176.300 0.129 0.000 1.105 93 D CA -0.512 53.569 54.000 0.135 0.000 0.762 93 D CB 0.816 41.694 40.800 0.130 0.000 2.410 93 D HN -0.012 nan 8.370 nan 0.000 0.467 94 D N 2.259 122.725 120.400 0.109 0.000 2.885 94 D HA 0.071 4.711 4.640 -0.000 0.000 0.234 94 D C 1.231 177.588 176.300 0.095 0.000 1.129 94 D CA 0.182 54.256 54.000 0.123 0.000 0.991 94 D CB 0.328 41.199 40.800 0.118 0.000 1.137 94 D HN 0.111 nan 8.370 nan 0.000 0.459 95 V N 0.965 120.894 119.914 0.025 0.000 3.444 95 V HA -0.096 4.024 4.120 -0.000 0.000 0.271 95 V C 0.941 177.079 176.094 0.073 0.000 1.188 95 V CA 0.174 62.472 62.300 -0.003 0.000 1.168 95 V CB -1.192 30.539 31.823 -0.154 0.000 0.810 95 V HN 0.229 nan 8.190 nan 0.000 0.500 96 F N 2.598 122.510 119.950 -0.063 0.000 2.467 96 F HA 0.357 4.884 4.527 -0.000 0.000 0.362 96 F C 0.591 176.420 175.800 0.048 0.000 1.090 96 F CA -1.615 56.400 58.000 0.025 0.000 1.202 96 F CB 0.228 39.308 39.000 0.133 0.000 1.113 96 F HN 0.063 nan 8.300 nan 0.000 0.541 97 N N 4.990 123.264 118.700 -0.710 0.000 2.671 97 N HA -0.008 4.731 4.740 -0.000 0.000 0.274 97 N C 0.975 175.790 175.510 -1.159 0.000 1.188 97 N CA 0.288 52.759 53.050 -0.965 0.000 1.065 97 N CB -0.031 37.815 38.487 -1.068 0.000 1.415 97 N HN 0.858 nan 8.380 nan 0.000 0.511 98 E N 2.606 122.193 120.200 -1.021 0.000 2.112 98 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 98 E C 1.604 178.074 176.600 -0.215 0.000 0.979 98 E CA 0.471 56.544 56.400 -0.545 0.000 0.814 98 E CB 0.181 29.747 29.700 -0.223 0.000 0.762 98 E HN 0.528 nan 8.360 nan 0.000 0.460 99 R N -0.214 120.128 120.500 -0.263 0.000 2.082 99 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 99 R C 2.448 178.686 176.300 -0.104 0.000 1.136 99 R CA 1.786 57.794 56.100 -0.153 0.000 0.935 99 R CB -0.625 29.557 30.300 -0.196 0.000 0.842 99 R HN 0.294 nan 8.270 nan 0.000 0.430 100 G N -1.046 107.583 108.800 -0.285 0.000 2.432 100 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 100 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 100 G C 0.930 175.855 174.900 0.042 0.000 1.135 100 G CA 0.524 45.500 45.100 -0.206 0.000 0.767 100 G HN 0.450 nan 8.290 nan 0.000 0.550 101 W N 0.452 121.699 121.300 -0.088 0.000 2.678 101 W HA 0.175 4.834 4.660 -0.000 0.000 0.256 101 W C 2.418 179.007 176.519 0.116 0.000 1.280 101 W CA 0.147 57.542 57.345 0.083 0.000 1.345 101 W CB 0.142 29.605 29.460 0.005 0.000 1.118 101 W HN 0.195 nan 8.180 nan 0.000 0.629 102 N N -0.778 118.095 118.700 0.287 0.000 2.250 102 N HA -0.220 4.519 4.740 -0.000 0.000 0.181 102 N C 1.627 177.264 175.510 0.212 0.000 1.017 102 N CA 0.843 54.020 53.050 0.212 0.000 0.866 102 N CB -0.285 38.281 38.487 0.130 0.000 0.985 102 N HN 0.104 nan 8.380 nan 0.000 0.429 103 Y N 1.908 122.279 120.300 0.117 0.000 2.114 103 Y HA -0.214 4.335 4.550 -0.000 0.000 0.282 103 Y C 1.950 177.942 175.900 0.153 0.000 1.165 103 Y CA 1.520 59.685 58.100 0.108 0.000 1.148 103 Y CB -0.285 38.245 38.460 0.117 0.000 0.972 103 Y HN 0.001 nan 8.280 nan 0.000 0.504 104 I N -0.592 120.104 120.570 0.209 0.000 2.315 104 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 104 I C 2.258 178.482 176.117 0.179 0.000 1.117 104 I CA 0.950 62.377 61.300 0.211 0.000 1.404 104 I CB -0.957 37.163 38.000 0.200 0.000 1.071 104 I HN 0.301 nan 8.210 nan 0.000 0.419 105 L N 0.441 121.777 121.223 0.190 0.000 2.079 105 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 105 L C 2.233 179.134 176.870 0.052 0.000 1.081 105 L CA 1.922 56.852 54.840 0.151 0.000 0.752 105 L CB -0.543 41.611 42.059 0.159 0.000 0.896 105 L HN 0.334 nan 8.230 nan 0.000 0.433 106 E N -1.296 118.887 120.200 -0.029 0.000 2.057 106 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 106 E C 2.040 178.498 176.600 -0.237 0.000 0.959 106 E CA 0.192 56.529 56.400 -0.105 0.000 0.828 106 E CB -0.277 29.366 29.700 -0.096 0.000 0.800 106 E HN 0.153 nan 8.360 nan 0.000 0.460 107 K N 0.424 120.541 120.400 -0.471 0.000 2.152 107 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 107 K C 0.570 176.660 176.600 -0.850 0.000 1.048 107 K CA 1.334 57.140 56.287 -0.801 0.000 0.933 107 K CB 0.063 31.729 32.500 -1.390 0.000 0.721 107 K HN 0.276 nan 8.250 nan 0.000 0.447 108 Y N -0.042 120.154 120.300 -0.174 0.000 2.696 108 Y HA 0.149 4.699 4.550 -0.001 0.000 0.255 108 Y C -0.173 175.692 175.900 -0.057 0.000 1.103 108 Y CA -0.968 57.069 58.100 -0.105 0.000 1.126 108 Y CB 0.523 38.954 38.460 -0.049 0.000 1.197 108 Y HN 0.018 nan 8.280 nan 0.000 0.574 109 D N 1.624 122.049 120.400 0.043 0.000 2.686 109 D HA -0.206 4.433 4.640 -0.000 0.000 0.235 109 D C 1.345 177.811 176.300 0.278 0.000 1.160 109 D CA 1.729 55.777 54.000 0.080 0.000 0.645 109 D CB -1.026 39.749 40.800 -0.042 0.000 1.039 109 D HN 0.876 nan 8.370 nan 0.000 0.423 110 G N 0.127 109.084 108.800 0.261 0.000 2.168 110 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.257 110 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.257 110 G C 0.254 175.347 174.900 0.322 0.000 0.997 110 G CA 0.656 45.928 45.100 0.286 0.000 0.708 110 G HN 0.733 nan 8.290 nan 0.000 0.520 111 H N -0.561 118.596 119.070 0.145 0.000 2.527 111 H HA 0.367 4.922 4.556 -0.001 0.000 0.321 111 H C 0.755 176.107 175.328 0.039 0.000 1.087 111 H CA -0.789 55.319 56.048 0.101 0.000 1.337 111 H CB 1.074 30.872 29.762 0.061 0.000 1.440 111 H HN 0.082 nan 8.280 nan 0.000 0.490 112 L N 6.226 127.527 121.223 0.130 0.000 2.433 112 L HA 0.069 4.409 4.340 -0.000 0.000 0.275 112 L C -1.699 175.127 176.870 -0.074 0.000 1.128 112 L CA -1.575 53.294 54.840 0.048 0.000 0.875 112 L CB 0.386 42.541 42.059 0.161 0.000 1.171 112 L HN 0.423 nan 8.230 nan 0.000 0.463 113 P HA 0.124 nan 4.420 nan 0.000 0.235 113 P C -0.725 176.451 177.300 -0.207 0.000 1.765 113 P CA 0.248 63.079 63.100 -0.450 0.000 1.034 113 P CB -0.498 30.779 31.700 -0.705 0.000 1.984 114 I N -2.524 118.017 120.570 -0.049 0.000 2.894 114 I HA 0.623 4.793 4.170 -0.000 0.000 0.302 114 I C -1.082 175.138 176.117 0.172 0.000 1.188 114 I CA -1.504 59.840 61.300 0.074 0.000 1.014 114 I CB 3.153 41.238 38.000 0.141 0.000 1.242 114 I HN -0.113 nan 8.210 nan 0.000 0.430 115 E N 3.555 123.861 120.200 0.177 0.000 2.238 115 E HA 0.726 5.075 4.350 -0.000 0.000 0.267 115 E C -1.889 174.859 176.600 0.246 0.000 0.887 115 E CA -0.857 55.660 56.400 0.196 0.000 0.769 115 E CB 2.710 32.492 29.700 0.138 0.000 1.187 115 E HN 0.596 nan 8.360 nan 0.000 0.416 116 V N 4.447 124.525 119.914 0.274 0.000 2.482 116 V HA 0.328 4.448 4.120 -0.000 0.000 0.295 116 V C -0.529 175.700 176.094 0.224 0.000 1.026 116 V CA -0.884 61.560 62.300 0.241 0.000 0.856 116 V CB 1.633 33.568 31.823 0.187 0.000 1.001 116 V HN 0.629 nan 8.190 nan 0.000 0.424 117 K N 3.120 123.653 120.400 0.221 0.000 2.130 117 K HA 0.889 5.209 4.320 -0.000 0.000 0.268 117 K C -0.264 176.465 176.600 0.215 0.000 0.983 117 K CA -0.285 56.127 56.287 0.207 0.000 0.893 117 K CB 2.115 34.724 32.500 0.182 0.000 1.066 117 K HN 0.852 nan 8.250 nan 0.000 0.450 118 A N 1.361 124.299 122.820 0.198 0.000 2.612 118 A HA 0.491 4.811 4.320 -0.000 0.000 0.293 118 A C -0.794 176.848 177.584 0.097 0.000 1.075 118 A CA -0.881 51.228 52.037 0.119 0.000 0.680 118 A CB 0.867 19.977 19.000 0.183 0.000 1.279 118 A HN 0.420 nan 8.150 nan 0.000 0.411 119 V N -0.560 119.273 119.914 -0.135 0.000 2.834 119 V HA 0.534 4.654 4.120 -0.000 0.000 0.301 119 V C -2.269 173.856 176.094 0.051 0.000 1.066 119 V CA -1.926 60.362 62.300 -0.020 0.000 1.052 119 V CB 0.376 32.108 31.823 -0.151 0.000 1.021 119 V HN 0.759 nan 8.190 nan 0.000 0.480 120 P HA 0.045 nan 4.420 nan 0.000 0.263 120 P C -0.096 176.967 177.300 -0.395 0.000 1.195 120 P CA 0.183 62.921 63.100 -0.603 0.000 0.762 120 P CB 0.303 31.721 31.700 -0.469 0.000 0.799 121 E N 2.333 122.219 120.200 -0.523 0.000 2.608 121 E HA 0.028 4.378 4.350 -0.000 0.000 0.259 121 E C 1.524 178.021 176.600 -0.173 0.000 0.951 121 E CA 1.541 57.842 56.400 -0.165 0.000 0.945 121 E CB -0.240 29.480 29.700 0.033 0.000 0.916 121 E HN 0.837 nan 8.360 nan 0.000 0.477 122 G N 2.760 111.500 108.800 -0.099 0.000 2.232 122 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.226 122 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.226 122 G C 0.385 175.224 174.900 -0.101 0.000 0.996 122 G CA 0.142 45.142 45.100 -0.167 0.000 0.626 122 G HN 0.471 nan 8.290 nan 0.000 0.509 123 S N 0.211 115.889 115.700 -0.036 0.000 2.546 123 S HA 0.374 4.844 4.470 -0.000 0.000 0.290 123 S C 0.562 175.137 174.600 -0.041 0.000 1.290 123 S CA 0.128 58.312 58.200 -0.026 0.000 1.069 123 S CB 1.848 65.041 63.200 -0.012 0.000 0.846 123 S HN 0.748 nan 8.310 nan 0.000 0.495 124 V N 5.787 125.659 119.914 -0.069 0.000 2.334 124 V HA 0.281 4.401 4.120 -0.000 0.000 0.267 124 V C -0.249 175.737 176.094 -0.180 0.000 1.040 124 V CA -0.401 61.853 62.300 -0.076 0.000 0.866 124 V CB 0.151 31.949 31.823 -0.041 0.000 1.019 124 V HN 0.632 nan 8.190 nan 0.000 0.468 125 I N 7.883 128.327 120.570 -0.209 0.000 2.389 125 I HA 0.425 4.594 4.170 -0.000 0.000 0.288 125 I C -2.187 173.827 176.117 -0.172 0.000 0.999 125 I CA -3.048 58.019 61.300 -0.388 0.000 1.129 125 I CB 1.856 39.604 38.000 -0.421 0.000 1.288 125 I HN 0.349 nan 8.210 nan 0.000 0.444 126 P HA 0.029 nan 4.420 nan 0.000 0.266 126 P C 0.006 177.307 177.300 0.001 0.000 1.195 126 P CA -0.434 62.664 63.100 -0.002 0.000 0.768 126 P CB 0.758 32.497 31.700 0.065 0.000 0.838 127 R N 2.315 122.833 120.500 0.030 0.000 2.587 127 R HA 0.171 4.511 4.340 -0.000 0.000 0.268 127 R C 1.671 177.984 176.300 0.022 0.000 0.978 127 R CA 2.264 58.386 56.100 0.037 0.000 1.097 127 R CB -1.130 29.203 30.300 0.055 0.000 0.917 127 R HN 0.899 nan 8.270 nan 0.000 0.414 128 G N 1.884 110.692 108.800 0.013 0.000 2.176 128 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.232 128 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.232 128 G C -0.320 174.568 174.900 -0.018 0.000 0.986 128 G CA -0.019 45.082 45.100 0.001 0.000 0.643 128 G HN 0.622 nan 8.290 nan 0.000 0.522 129 N N -0.276 118.410 118.700 -0.024 0.000 2.370 129 N HA 0.439 5.178 4.740 -0.000 0.000 0.303 129 N C -0.035 175.443 175.510 -0.054 0.000 1.103 129 N CA -0.333 52.688 53.050 -0.049 0.000 0.848 129 N CB 2.400 40.854 38.487 -0.055 0.000 1.235 129 N HN 0.202 nan 8.380 nan 0.000 0.496 130 V N 3.764 123.626 119.914 -0.087 0.000 2.400 130 V HA 0.023 4.143 4.120 -0.000 0.000 0.263 130 V C 1.300 177.342 176.094 -0.087 0.000 1.026 130 V CA 0.380 62.638 62.300 -0.070 0.000 1.077 130 V CB -0.980 30.759 31.823 -0.141 0.000 1.054 130 V HN 0.553 nan 8.190 nan 0.000 0.477 131 L N 6.874 128.040 121.223 -0.094 0.000 2.095 131 L HA 0.217 4.556 4.340 -0.000 0.000 0.204 131 L C 0.632 177.330 176.870 -0.287 0.000 1.080 131 L CA 0.919 55.602 54.840 -0.263 0.000 0.759 131 L CB -0.292 41.656 42.059 -0.185 0.000 0.914 131 L HN 0.762 nan 8.230 nan 0.000 0.439 132 F N -1.709 118.165 119.950 -0.125 0.000 2.686 132 F HA 0.651 5.178 4.527 -0.000 0.000 0.311 132 F C -0.692 175.141 175.800 0.054 0.000 1.128 132 F CA -1.164 56.793 58.000 -0.072 0.000 0.946 132 F CB 1.175 40.131 39.000 -0.074 0.000 1.336 132 F HN -0.184 nan 8.300 nan 0.000 0.457 133 T N -0.595 114.205 114.554 0.410 0.000 2.883 133 T HA 0.838 5.188 4.350 -0.000 0.000 0.301 133 T C -1.838 173.005 174.700 0.238 0.000 1.158 133 T CA -0.842 61.353 62.100 0.158 0.000 1.007 133 T CB 1.569 70.409 68.868 -0.046 0.000 1.186 133 T HN 0.989 nan 8.240 nan 0.000 0.499 134 V N 1.938 121.896 119.914 0.073 0.000 2.733 134 V HA 0.708 4.828 4.120 -0.000 0.000 0.306 134 V C -0.794 175.356 176.094 0.094 0.000 1.084 134 V CA -0.825 61.582 62.300 0.178 0.000 0.905 134 V CB 1.653 33.698 31.823 0.371 0.000 1.010 134 V HN 1.193 nan 8.190 nan 0.000 0.424 135 E N 3.240 123.545 120.200 0.176 0.000 2.408 135 E HA 0.505 4.855 4.350 -0.000 0.000 0.275 135 E C -1.421 175.263 176.600 0.140 0.000 0.935 135 E CA -1.078 55.453 56.400 0.218 0.000 0.775 135 E CB 2.128 32.074 29.700 0.410 0.000 1.277 135 E HN 0.623 nan 8.360 nan 0.000 0.455 136 N N 0.679 119.429 118.700 0.083 0.000 2.524 136 N HA 0.034 4.774 4.740 -0.000 0.000 0.283 136 N C 0.471 175.991 175.510 0.017 0.000 1.142 136 N CA -0.053 52.989 53.050 -0.013 0.000 0.984 136 N CB 1.594 40.020 38.487 -0.100 0.000 1.155 136 N HN 0.708 nan 8.380 nan 0.000 0.467 137 T N -3.396 111.141 114.554 -0.027 0.000 3.060 137 T HA 0.004 4.354 4.350 -0.000 0.000 0.249 137 T C -0.100 174.609 174.700 0.014 0.000 1.079 137 T CA 0.093 62.192 62.100 -0.002 0.000 1.013 137 T CB -0.037 68.809 68.868 -0.035 0.000 0.975 137 T HN 0.537 nan 8.240 nan 0.000 0.518 138 D N 1.803 122.203 120.400 0.000 0.000 2.492 138 D HA 0.335 4.975 4.640 -0.000 0.000 0.248 138 D C -1.778 174.567 176.300 0.075 0.000 1.101 138 D CA -2.587 51.467 54.000 0.089 0.000 0.840 138 D CB 2.564 43.487 40.800 0.204 0.000 1.209 138 D HN -0.136 nan 8.370 nan 0.000 0.524 139 P HA -0.206 nan 4.420 nan 0.000 0.218 139 P C 0.923 178.317 177.300 0.156 0.000 1.146 139 P CA 0.975 64.125 63.100 0.084 0.000 0.820 139 P CB 0.671 32.397 31.700 0.043 0.000 0.778 140 E N -0.315 119.947 120.200 0.104 0.000 2.051 140 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 140 E C 1.605 178.297 176.600 0.154 0.000 0.991 140 E CA 1.088 57.530 56.400 0.070 0.000 0.799 140 E CB -0.788 28.749 29.700 -0.273 0.000 0.748 140 E HN 0.307 nan 8.360 nan 0.000 0.449 141 C N 2.037 121.268 119.300 -0.115 0.000 2.377 141 C HA 0.078 4.537 4.460 -0.000 0.000 0.341 141 C C 1.952 176.447 174.990 -0.826 0.000 1.304 141 C CA -0.810 57.741 59.018 -0.778 0.000 1.690 141 C CB -2.515 24.817 27.740 -0.681 0.000 1.808 141 C HN 0.447 nan 8.230 nan 0.000 0.592 142 Y N 0.156 120.281 120.300 -0.292 0.000 2.298 142 Y HA -0.232 4.318 4.550 -0.000 0.000 0.287 142 Y C 2.171 177.996 175.900 -0.127 0.000 1.164 142 Y CA 1.512 59.506 58.100 -0.176 0.000 1.229 142 Y CB -1.009 37.388 38.460 -0.105 0.000 0.977 142 Y HN 0.649 nan 8.280 nan 0.000 0.538 143 W N 0.497 121.148 121.300 -1.081 0.000 2.937 143 W HA 0.114 4.773 4.660 -0.001 0.000 0.245 143 W C 1.335 177.803 176.519 -0.085 0.000 1.306 143 W CA -0.010 57.067 57.345 -0.446 0.000 1.470 143 W CB -0.831 28.320 29.460 -0.515 0.000 1.132 143 W HN 0.263 nan 8.180 nan 0.000 0.675 144 L N 1.549 122.260 121.223 -0.853 0.000 2.095 144 L HA -0.134 4.206 4.340 -0.000 0.000 0.204 144 L C 2.478 179.302 176.870 -0.076 0.000 1.080 144 L CA 1.811 56.240 54.840 -0.684 0.000 0.759 144 L CB -0.710 40.757 42.059 -0.988 0.000 0.914 144 L HN -0.125 nan 8.230 nan 0.000 0.439 145 T N 0.379 114.920 114.554 -0.022 0.000 2.592 145 T HA -0.277 4.072 4.350 -0.000 0.000 0.267 145 T C 1.494 176.390 174.700 0.328 0.000 1.060 145 T CA 2.375 64.576 62.100 0.168 0.000 1.167 145 T CB -0.388 68.586 68.868 0.175 0.000 0.863 145 T HN 0.348 nan 8.240 nan 0.000 0.431 146 N N -0.181 118.746 118.700 0.379 0.000 2.300 146 N HA -0.000 4.739 4.740 -0.000 0.000 0.179 146 N C 1.380 177.077 175.510 0.312 0.000 1.016 146 N CA 0.404 53.693 53.050 0.398 0.000 0.876 146 N CB -0.255 38.509 38.487 0.461 0.000 0.979 146 N HN 0.461 nan 8.380 nan 0.000 0.432 147 W N 2.595 124.026 121.300 0.217 0.000 2.290 147 W HA -0.197 4.462 4.660 -0.001 0.000 0.323 147 W C 1.086 177.686 176.519 0.136 0.000 1.260 147 W CA 1.336 58.821 57.345 0.232 0.000 1.266 147 W CB -0.510 29.185 29.460 0.392 0.000 1.149 147 W HN 0.089 nan 8.180 nan 0.000 0.482 148 I N -0.182 120.670 120.570 0.470 0.000 3.686 148 I HA 0.022 4.192 4.170 -0.000 0.000 0.308 148 I C 1.809 177.886 176.117 -0.067 0.000 1.254 148 I CA 1.015 62.466 61.300 0.252 0.000 1.175 148 I CB -0.828 37.290 38.000 0.195 0.000 1.009 148 I HN 0.066 nan 8.210 nan 0.000 0.459 149 E N 2.170 122.230 120.200 -0.233 0.000 2.017 149 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 149 E C 1.779 178.152 176.600 -0.378 0.000 0.997 149 E CA 2.461 58.386 56.400 -0.791 0.000 0.804 149 E CB -0.148 29.126 29.700 -0.710 0.000 0.757 149 E HN 0.558 nan 8.360 nan 0.000 0.448 150 T N 1.650 116.111 114.554 -0.154 0.000 2.570 150 T HA -0.257 4.093 4.350 -0.000 0.000 0.266 150 T C 1.930 176.611 174.700 -0.031 0.000 1.071 150 T CA 1.636 63.711 62.100 -0.041 0.000 1.172 150 T CB -0.581 68.281 68.868 -0.011 0.000 0.864 150 T HN 0.202 nan 8.240 nan 0.000 0.421 151 I N 1.163 121.711 120.570 -0.036 0.000 2.145 151 I HA -0.171 3.998 4.170 -0.000 0.000 0.244 151 I C 2.178 178.215 176.117 -0.133 0.000 1.075 151 I CA 1.387 62.633 61.300 -0.090 0.000 1.332 151 I CB -0.449 37.529 38.000 -0.037 0.000 1.033 151 I HN 0.248 nan 8.210 nan 0.000 0.410 152 L N -1.306 119.851 121.223 -0.108 0.000 2.109 152 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 152 L C 2.441 179.355 176.870 0.074 0.000 1.086 152 L CA 0.681 55.472 54.840 -0.082 0.000 0.760 152 L CB -0.655 41.391 42.059 -0.021 0.000 0.910 152 L HN 0.053 nan 8.230 nan 0.000 0.437 153 V N -0.232 119.778 119.914 0.160 0.000 2.594 153 V HA -0.260 3.859 4.120 -0.000 0.000 0.253 153 V C 2.360 178.720 176.094 0.443 0.000 1.069 153 V CA 1.373 63.926 62.300 0.423 0.000 1.082 153 V CB -0.570 31.462 31.823 0.350 0.000 0.680 153 V HN 0.525 nan 8.190 nan 0.000 0.469 154 Q N 0.347 120.279 119.800 0.219 0.000 2.515 154 Q HA -0.172 4.167 4.340 -0.000 0.000 0.215 154 Q C 2.267 178.231 176.000 -0.060 0.000 0.983 154 Q CA 1.559 57.451 55.803 0.149 0.000 0.905 154 Q CB -0.336 28.383 28.738 -0.031 0.000 0.961 154 Q HN 0.837 nan 8.270 nan 0.000 0.503 155 S N 0.225 115.910 115.700 -0.024 0.000 2.555 155 S HA -0.092 4.378 4.470 -0.000 0.000 0.230 155 S C 1.579 176.118 174.600 -0.101 0.000 0.978 155 S CA 0.078 58.185 58.200 -0.155 0.000 0.934 155 S CB -0.671 62.392 63.200 -0.228 0.000 0.766 155 S HN 0.649 nan 8.310 nan 0.000 0.533 156 W N 0.821 122.239 121.300 0.195 0.000 2.342 156 W HA -0.188 4.471 4.660 -0.001 0.000 0.297 156 W C 1.753 178.389 176.519 0.194 0.000 1.213 156 W CA 0.734 58.261 57.345 0.304 0.000 1.251 156 W CB -1.235 28.438 29.460 0.355 0.000 1.136 156 W HN 0.361 nan 8.180 nan 0.000 0.526 157 Y N 4.341 123.679 120.300 -1.603 0.000 2.070 157 Y HA -0.158 4.392 4.550 -0.001 0.000 0.279 157 Y C -0.033 175.514 175.900 -0.588 0.000 1.134 157 Y CA 2.571 59.745 58.100 -1.543 0.000 1.113 157 Y CB -1.969 35.617 38.460 -1.456 0.000 0.981 157 Y HN -0.238 nan 8.280 nan 0.000 0.487 158 P HA -0.213 nan 4.420 nan 0.000 0.217 158 P C 1.760 178.914 177.300 -0.243 0.000 1.148 158 P CA 2.066 64.930 63.100 -0.394 0.000 0.828 158 P CB -0.169 31.310 31.700 -0.367 0.000 0.783 159 I N -0.335 120.118 120.570 -0.196 0.000 2.193 159 I HA -0.162 4.008 4.170 -0.000 0.000 0.240 159 I C 2.325 178.405 176.117 -0.062 0.000 1.084 159 I CA 1.700 62.966 61.300 -0.057 0.000 1.365 159 I CB -1.129 36.932 38.000 0.102 0.000 1.064 159 I HN -0.020 nan 8.210 nan 0.000 0.410 160 T N 0.652 115.172 114.554 -0.058 0.000 2.788 160 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 160 T C 1.923 176.519 174.700 -0.173 0.000 1.044 160 T CA 1.219 63.296 62.100 -0.039 0.000 1.139 160 T CB -0.251 68.727 68.868 0.184 0.000 0.867 160 T HN 0.123 nan 8.240 nan 0.000 0.454 161 V N 1.426 121.138 119.914 -0.336 0.000 2.548 161 V HA -0.013 4.107 4.120 -0.000 0.000 0.249 161 V C 2.804 178.784 176.094 -0.189 0.000 1.055 161 V CA 1.353 63.456 62.300 -0.329 0.000 1.065 161 V CB -1.094 30.376 31.823 -0.588 0.000 0.681 161 V HN 0.501 nan 8.190 nan 0.000 0.462 162 A N -0.142 122.575 122.820 -0.173 0.000 1.970 162 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 162 A C 2.365 179.862 177.584 -0.145 0.000 1.170 162 A CA 1.976 53.918 52.037 -0.158 0.000 0.645 162 A CB -0.613 18.296 19.000 -0.150 0.000 0.816 162 A HN 0.472 nan 8.150 nan 0.000 0.447 163 T N -0.009 114.465 114.554 -0.134 0.000 2.770 163 T HA -0.104 4.246 4.350 -0.000 0.000 0.258 163 T C 2.008 176.607 174.700 -0.169 0.000 1.039 163 T CA 1.114 63.130 62.100 -0.141 0.000 1.143 163 T CB -0.374 68.405 68.868 -0.147 0.000 0.866 163 T HN 0.559 nan 8.240 nan 0.000 0.428 164 N N 0.715 119.287 118.700 -0.213 0.000 2.166 164 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 164 N C 2.136 177.623 175.510 -0.039 0.000 1.019 164 N CA 1.195 54.134 53.050 -0.185 0.000 0.856 164 N CB -0.149 38.242 38.487 -0.161 0.000 0.993 164 N HN 0.202 nan 8.380 nan 0.000 0.426 165 S N 0.736 116.428 115.700 -0.013 0.000 2.348 165 S HA -0.119 4.351 4.470 -0.000 0.000 0.221 165 S C 1.987 176.674 174.600 0.144 0.000 1.033 165 S CA 1.033 59.296 58.200 0.105 0.000 1.010 165 S CB -0.170 63.086 63.200 0.094 0.000 0.891 165 S HN 0.383 nan 8.310 nan 0.000 0.442 166 R N 0.666 121.158 120.500 -0.013 0.000 2.091 166 R HA -0.088 4.252 4.340 -0.000 0.000 0.238 166 R C 2.000 178.293 176.300 -0.011 0.000 1.136 166 R CA 1.675 57.727 56.100 -0.081 0.000 0.959 166 R CB -0.207 30.014 30.300 -0.133 0.000 0.856 166 R HN 0.302 nan 8.270 nan 0.000 0.437 167 E N 0.585 120.795 120.200 0.016 0.000 2.153 167 E HA -0.203 4.146 4.350 -0.000 0.000 0.194 167 E C 1.905 178.556 176.600 0.085 0.000 0.988 167 E CA 1.222 57.661 56.400 0.066 0.000 0.811 167 E CB -0.048 29.726 29.700 0.124 0.000 0.746 167 E HN 0.573 nan 8.360 nan 0.000 0.466 168 Q N 0.062 119.922 119.800 0.101 0.000 2.245 168 Q HA -0.028 4.312 4.340 -0.000 0.000 0.201 168 Q C 2.083 178.193 176.000 0.183 0.000 0.955 168 Q CA 0.704 56.563 55.803 0.094 0.000 0.870 168 Q CB 0.059 28.829 28.738 0.053 0.000 0.945 168 Q HN 0.092 nan 8.270 nan 0.000 0.461 169 K N 1.258 121.818 120.400 0.268 0.000 2.103 169 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 169 K C 1.665 178.310 176.600 0.074 0.000 1.052 169 K CA 0.934 57.357 56.287 0.227 0.000 0.945 169 K CB 0.239 32.593 32.500 -0.244 0.000 0.722 169 K HN -0.007 nan 8.250 nan 0.000 0.443 170 K N 0.590 121.016 120.400 0.045 0.000 2.002 170 K HA -0.112 4.208 4.320 -0.000 0.000 0.209 170 K C 2.100 178.750 176.600 0.082 0.000 1.048 170 K CA 1.770 58.081 56.287 0.040 0.000 0.930 170 K CB -0.212 32.311 32.500 0.039 0.000 0.714 170 K HN 0.134 nan 8.250 nan 0.000 0.438 171 I N 1.362 121.987 120.570 0.092 0.000 2.208 171 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 171 I C 2.255 178.457 176.117 0.141 0.000 1.097 171 I CA 1.313 62.685 61.300 0.119 0.000 1.363 171 I CB -0.335 37.677 38.000 0.020 0.000 1.051 171 I HN 0.132 nan 8.210 nan 0.000 0.413 172 L N 0.332 121.611 121.223 0.093 0.000 2.017 172 L HA -0.198 4.141 4.340 -0.000 0.000 0.208 172 L C 2.888 179.844 176.870 0.145 0.000 1.073 172 L CA 1.342 56.250 54.840 0.114 0.000 0.745 172 L CB -0.746 41.410 42.059 0.163 0.000 0.894 172 L HN 0.253 nan 8.230 nan 0.000 0.432 173 A N 0.088 122.975 122.820 0.112 0.000 1.865 173 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 173 A C 2.255 179.886 177.584 0.078 0.000 1.191 173 A CA 2.025 54.106 52.037 0.072 0.000 0.623 173 A CB -0.490 18.526 19.000 0.027 0.000 0.826 173 A HN 0.186 nan 8.150 nan 0.000 0.444 174 K N -1.007 119.452 120.400 0.098 0.000 2.015 174 K HA -0.212 4.107 4.320 -0.000 0.000 0.220 174 K C 1.710 178.318 176.600 0.014 0.000 1.055 174 K CA 2.430 58.748 56.287 0.051 0.000 0.951 174 K CB -0.691 31.863 32.500 0.090 0.000 0.725 174 K HN 0.638 nan 8.250 nan 0.000 0.449 175 Y N -0.245 120.049 120.300 -0.009 0.000 2.395 175 Y HA 0.061 4.611 4.550 -0.001 0.000 0.293 175 Y C 2.021 177.890 175.900 -0.052 0.000 1.123 175 Y CA 0.469 58.553 58.100 -0.028 0.000 1.227 175 Y CB -0.227 38.232 38.460 -0.001 0.000 1.012 175 Y HN 0.020 nan 8.280 nan 0.000 0.552 176 L N -0.759 120.551 121.223 0.145 0.000 2.046 176 L HA -0.205 4.134 4.340 -0.000 0.000 0.208 176 L C 2.228 179.102 176.870 0.006 0.000 1.077 176 L CA 1.028 55.912 54.840 0.074 0.000 0.747 176 L CB -0.277 41.837 42.059 0.091 0.000 0.896 176 L HN 0.265 nan 8.230 nan 0.000 0.432 177 L N 0.076 121.301 121.223 0.003 0.000 2.027 177 L HA -0.233 4.106 4.340 -0.000 0.000 0.206 177 L C 2.348 179.175 176.870 -0.071 0.000 1.074 177 L CA 1.942 56.765 54.840 -0.027 0.000 0.745 177 L CB -0.574 41.472 42.059 -0.021 0.000 0.898 177 L HN 0.313 nan 8.230 nan 0.000 0.433 178 E N -1.956 118.178 120.200 -0.110 0.000 2.478 178 E HA -0.117 4.232 4.350 -0.000 0.000 0.198 178 E C 0.704 177.122 176.600 -0.303 0.000 1.046 178 E CA 1.080 57.385 56.400 -0.159 0.000 0.870 178 E CB 0.157 29.741 29.700 -0.194 0.000 0.818 178 E HN 0.518 nan 8.360 nan 0.000 0.527 179 T N -1.571 112.777 114.554 -0.344 0.000 2.975 179 T HA 0.018 4.367 4.350 -0.000 0.000 0.261 179 T C 1.218 175.772 174.700 -0.243 0.000 0.984 179 T CA 0.451 62.178 62.100 -0.622 0.000 0.911 179 T CB 0.616 69.066 68.868 -0.697 0.000 1.127 179 T HN 0.161 nan 8.240 nan 0.000 0.514 180 S N -0.384 115.250 115.700 -0.110 0.000 2.628 180 S HA 0.485 4.955 4.470 -0.000 0.000 0.246 180 S C 1.858 176.449 174.600 -0.016 0.000 1.062 180 S CA 0.885 59.066 58.200 -0.031 0.000 1.028 180 S CB 0.447 63.643 63.200 -0.006 0.000 0.985 180 S HN 0.566 nan 8.310 nan 0.000 0.551 181 G N 2.538 111.320 108.800 -0.030 0.000 2.268 181 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.240 181 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.240 181 G C 0.051 174.947 174.900 -0.008 0.000 1.010 181 G CA 0.285 45.377 45.100 -0.014 0.000 0.618 181 G HN 0.895 nan 8.290 nan 0.000 0.516 182 N N -0.327 118.372 118.700 -0.002 0.000 3.100 182 N HA 0.675 5.414 4.740 -0.000 0.000 0.344 182 N C 0.194 175.709 175.510 0.009 0.000 1.413 182 N CA -0.783 52.270 53.050 0.004 0.000 0.752 182 N CB 1.011 39.504 38.487 0.009 0.000 1.519 182 N HN 0.209 nan 8.380 nan 0.000 0.620 183 L N -0.097 121.135 121.223 0.014 0.000 3.288 183 L HA 0.259 4.598 4.340 -0.000 0.000 0.293 183 L C -0.906 175.987 176.870 0.038 0.000 1.294 183 L CA -0.422 54.432 54.840 0.024 0.000 1.006 183 L CB 0.109 42.174 42.059 0.010 0.000 1.407 183 L HN 0.307 nan 8.230 nan 0.000 0.592 184 D N 1.253 121.677 120.400 0.040 0.000 2.417 184 D HA 0.259 4.899 4.640 -0.000 0.000 0.250 184 D C 1.284 177.635 176.300 0.085 0.000 1.166 184 D CA 1.190 55.222 54.000 0.053 0.000 0.881 184 D CB 1.596 42.418 40.800 0.037 0.000 1.164 184 D HN 0.397 nan 8.370 nan 0.000 0.467 185 G N 2.159 111.038 108.800 0.132 0.000 2.176 185 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.253 185 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.253 185 G C 0.996 176.040 174.900 0.241 0.000 0.979 185 G CA 0.155 45.383 45.100 0.213 0.000 0.641 185 G HN 0.536 nan 8.290 nan 0.000 0.530 186 L N 1.235 122.554 121.223 0.160 0.000 2.129 186 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 186 L C 2.682 179.667 176.870 0.192 0.000 1.087 186 L CA 2.953 57.885 54.840 0.153 0.000 0.757 186 L CB -0.412 41.680 42.059 0.055 0.000 0.896 186 L HN 0.797 nan 8.230 nan 0.000 0.434 187 E N -2.288 117.974 120.200 0.103 0.000 2.511 187 E HA -0.185 4.164 4.350 -0.000 0.000 0.196 187 E C 0.470 177.081 176.600 0.019 0.000 1.066 187 E CA 0.621 57.004 56.400 -0.029 0.000 0.871 187 E CB -0.125 29.449 29.700 -0.211 0.000 0.863 187 E HN 0.552 nan 8.360 nan 0.000 0.520 188 Y N -0.243 120.222 120.300 0.276 0.000 2.738 188 Y HA 0.292 4.842 4.550 -0.000 0.000 0.249 188 Y C 1.098 177.103 175.900 0.174 0.000 1.157 188 Y CA -0.622 57.613 58.100 0.225 0.000 1.189 188 Y CB 0.979 39.552 38.460 0.189 0.000 1.262 188 Y HN -0.125 nan 8.280 nan 0.000 0.554 189 K N 0.565 121.154 120.400 0.315 0.000 2.426 189 K HA 0.272 4.592 4.320 -0.000 0.000 0.193 189 K C -0.197 176.441 176.600 0.064 0.000 1.028 189 K CA 0.479 56.895 56.287 0.215 0.000 1.047 189 K CB 0.731 33.396 32.500 0.275 0.000 0.821 189 K HN 0.263 nan 8.250 nan 0.000 0.513 190 L N 1.274 122.351 121.223 -0.243 0.000 2.446 190 L HA 0.240 4.580 4.340 -0.000 0.000 0.268 190 L C -1.063 175.612 176.870 -0.325 0.000 0.975 190 L CA -0.509 54.070 54.840 -0.435 0.000 0.848 190 L CB 1.638 43.108 42.059 -0.982 0.000 1.225 190 L HN 0.086 nan 8.230 nan 0.000 0.410 191 H N 2.740 121.565 119.070 -0.408 0.000 2.467 191 H HA 0.159 4.715 4.556 -0.000 0.000 0.326 191 H C -1.122 173.734 175.328 -0.786 0.000 1.094 191 H CA -0.403 55.367 56.048 -0.464 0.000 1.253 191 H CB 2.011 31.516 29.762 -0.428 0.000 1.439 191 H HN 0.546 nan 8.280 nan 0.000 0.479 192 D N 4.149 124.191 120.400 -0.596 0.000 2.325 192 D HA 0.026 4.666 4.640 -0.000 0.000 0.251 192 D C -0.430 175.933 176.300 0.104 0.000 1.196 192 D CA 0.092 53.806 54.000 -0.476 0.000 0.866 192 D CB -0.268 40.194 40.800 -0.563 0.000 1.101 192 D HN 0.428 nan 8.370 nan 0.000 0.476 193 F N 2.419 122.336 119.950 -0.055 0.000 2.879 193 F HA 0.303 4.830 4.527 -0.000 0.000 0.354 193 F C 1.536 177.347 175.800 0.018 0.000 1.291 193 F CA -0.915 57.090 58.000 0.009 0.000 1.238 193 F CB 1.375 40.376 39.000 0.002 0.000 1.005 193 F HN 0.559 nan 8.300 nan 0.000 0.508 194 G N -1.141 107.766 108.800 0.178 0.000 3.277 194 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.243 194 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.243 194 G C 0.957 175.972 174.900 0.190 0.000 1.107 194 G CA -0.028 45.156 45.100 0.141 0.000 0.771 194 G HN 0.471 nan 8.290 nan 0.000 0.544 195 Y N 0.857 121.190 120.300 0.054 0.000 2.128 195 Y HA -0.201 4.349 4.550 -0.000 0.000 0.284 195 Y C 2.961 178.877 175.900 0.026 0.000 1.154 195 Y CA 1.364 59.484 58.100 0.033 0.000 1.149 195 Y CB 0.180 38.655 38.460 0.024 0.000 0.976 195 Y HN 0.219 nan 8.280 nan 0.000 0.505 196 R N 0.044 120.651 120.500 0.178 0.000 2.152 196 R HA -0.117 4.222 4.340 -0.000 0.000 0.232 196 R C 2.045 178.388 176.300 0.072 0.000 1.117 196 R CA 1.300 57.432 56.100 0.054 0.000 0.981 196 R CB -0.445 29.870 30.300 0.025 0.000 0.870 196 R HN 0.428 nan 8.270 nan 0.000 0.451 197 G N 0.469 109.333 108.800 0.106 0.000 2.719 197 G HA2 0.059 4.019 3.960 -0.000 0.000 0.211 197 G HA3 0.059 4.019 3.960 -0.000 0.000 0.211 197 G C 0.493 175.447 174.900 0.090 0.000 1.140 197 G CA 0.314 45.467 45.100 0.089 0.000 0.790 197 G HN 0.214 nan 8.290 nan 0.000 0.529 198 V N 0.191 120.173 119.914 0.113 0.000 2.963 198 V HA 0.336 4.456 4.120 -0.000 0.000 0.306 198 V C 1.498 177.626 176.094 0.057 0.000 1.077 198 V CA 0.466 62.819 62.300 0.089 0.000 1.124 198 V CB 1.108 32.990 31.823 0.099 0.000 0.987 198 V HN 0.209 nan 8.190 nan 0.000 0.487 199 S N 1.827 117.536 115.700 0.015 0.000 2.399 199 S HA -0.011 4.459 4.470 -0.000 0.000 0.231 199 S C 0.934 175.542 174.600 0.013 0.000 1.022 199 S CA 0.770 58.973 58.200 0.005 0.000 0.983 199 S CB -0.689 62.499 63.200 -0.021 0.000 0.803 199 S HN 1.648 nan 8.310 nan 0.000 0.480 200 S N -1.124 114.586 115.700 0.017 0.000 2.752 200 S HA 0.451 4.921 4.470 -0.000 0.000 0.284 200 S C 0.208 174.857 174.600 0.081 0.000 1.189 200 S CA -0.874 57.349 58.200 0.039 0.000 0.835 200 S CB 0.942 64.154 63.200 0.019 0.000 1.192 200 S HN -0.084 nan 8.310 nan 0.000 0.506 201 Q N 0.884 120.744 119.800 0.099 0.000 2.016 201 Q HA -0.044 4.296 4.340 -0.000 0.000 0.200 201 Q C 1.923 177.971 176.000 0.080 0.000 0.978 201 Q CA 1.980 57.876 55.803 0.155 0.000 0.833 201 Q CB -0.769 28.050 28.738 0.136 0.000 0.895 201 Q HN 0.914 nan 8.270 nan 0.000 0.427 202 E N -0.209 120.023 120.200 0.055 0.000 2.086 202 E HA -0.194 4.156 4.350 -0.000 0.000 0.200 202 E C 1.750 178.333 176.600 -0.029 0.000 1.012 202 E CA 1.832 58.251 56.400 0.032 0.000 0.812 202 E CB 0.187 29.932 29.700 0.075 0.000 0.743 202 E HN 0.314 nan 8.360 nan 0.000 0.453 203 T N 0.566 115.094 114.554 -0.043 0.000 2.720 203 T HA -0.173 4.176 4.350 -0.000 0.000 0.268 203 T C 1.868 176.562 174.700 -0.010 0.000 1.037 203 T CA 1.365 63.411 62.100 -0.089 0.000 1.144 203 T CB -0.383 68.378 68.868 -0.178 0.000 0.864 203 T HN 0.359 nan 8.240 nan 0.000 0.444 204 A N 1.591 124.395 122.820 -0.026 0.000 1.883 204 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 204 A C 2.620 180.069 177.584 -0.224 0.000 1.186 204 A CA 2.074 54.029 52.037 -0.137 0.000 0.624 204 A CB -1.516 17.312 19.000 -0.286 0.000 0.822 204 A HN 0.516 nan 8.150 nan 0.000 0.444 205 G N 0.100 108.773 108.800 -0.211 0.000 2.511 205 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.216 205 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.216 205 G C 1.531 176.302 174.900 -0.216 0.000 1.218 205 G CA 1.238 46.208 45.100 -0.216 0.000 0.788 205 G HN 0.488 nan 8.290 nan 0.000 0.560 206 I N 1.425 121.847 120.570 -0.245 0.000 2.091 206 I HA -0.179 3.990 4.170 -0.000 0.000 0.239 206 I C 3.129 179.194 176.117 -0.086 0.000 1.061 206 I CA 1.411 62.550 61.300 -0.267 0.000 1.317 206 I CB -0.796 37.098 38.000 -0.178 0.000 1.031 206 I HN 0.258 nan 8.210 nan 0.000 0.401 207 G N 0.308 109.154 108.800 0.077 0.000 2.459 207 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 207 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 207 G C 1.852 176.714 174.900 -0.062 0.000 1.183 207 G CA 0.979 46.076 45.100 -0.006 0.000 0.776 207 G HN 0.528 nan 8.290 nan 0.000 0.552 208 A N 1.155 123.931 122.820 -0.073 0.000 1.933 208 A HA -0.050 4.269 4.320 -0.000 0.000 0.218 208 A C 2.744 180.293 177.584 -0.059 0.000 1.175 208 A CA 2.664 54.650 52.037 -0.084 0.000 0.628 208 A CB -0.780 18.122 19.000 -0.163 0.000 0.814 208 A HN 0.838 nan 8.150 nan 0.000 0.444 209 S N 0.149 115.801 115.700 -0.080 0.000 2.399 209 S HA 0.010 4.480 4.470 -0.000 0.000 0.231 209 S C 2.015 176.648 174.600 0.055 0.000 1.022 209 S CA 1.383 59.549 58.200 -0.056 0.000 0.983 209 S CB -0.594 62.587 63.200 -0.031 0.000 0.803 209 S HN 0.916 nan 8.310 nan 0.000 0.480 210 A N 1.319 124.191 122.820 0.087 0.000 1.968 210 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 210 A C 2.207 179.724 177.584 -0.113 0.000 1.169 210 A CA 1.285 53.304 52.037 -0.029 0.000 0.638 210 A CB -1.111 17.876 19.000 -0.022 0.000 0.812 210 A HN 0.786 nan 8.150 nan 0.000 0.446 211 H N 0.053 119.059 119.070 -0.107 0.000 2.395 211 H HA 0.063 4.619 4.556 -0.000 0.000 0.299 211 H C 1.681 177.007 175.328 -0.004 0.000 1.070 211 H CA 1.387 57.404 56.048 -0.051 0.000 1.356 211 H CB -0.084 29.634 29.762 -0.073 0.000 1.401 211 H HN 0.408 nan 8.280 nan 0.000 0.524 212 L N 0.710 121.955 121.223 0.037 0.000 2.450 212 L HA -0.125 4.215 4.340 -0.000 0.000 0.224 212 L C 2.557 179.485 176.870 0.097 0.000 1.149 212 L CA 0.169 55.050 54.840 0.067 0.000 0.816 212 L CB -0.085 41.982 42.059 0.014 0.000 0.932 212 L HN 0.121 nan 8.230 nan 0.000 0.449 213 V N -0.107 119.731 119.914 -0.128 0.000 2.515 213 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 213 V C 1.676 177.489 176.094 -0.469 0.000 1.058 213 V CA 1.633 63.611 62.300 -0.536 0.000 1.064 213 V CB -0.415 30.958 31.823 -0.751 0.000 0.675 213 V HN 0.597 nan 8.190 nan 0.000 0.461 214 N N -1.798 116.640 118.700 -0.436 0.000 2.227 214 N HA 0.241 4.981 4.740 -0.000 0.000 0.196 214 N C -0.195 174.734 175.510 -0.968 0.000 1.142 214 N CA 0.270 52.936 53.050 -0.639 0.000 0.887 214 N CB 1.101 39.220 38.487 -0.614 0.000 1.022 214 N HN 0.417 nan 8.380 nan 0.000 0.500 215 F N -0.258 119.423 119.950 -0.448 0.000 2.715 215 F HA 0.407 4.934 4.527 -0.000 0.000 0.318 215 F C 0.826 176.417 175.800 -0.349 0.000 1.141 215 F CA -0.843 56.913 58.000 -0.406 0.000 0.950 215 F CB 1.777 40.515 39.000 -0.436 0.000 1.374 215 F HN -0.445 nan 8.300 nan 0.000 0.477 216 K N 0.017 120.259 120.400 -0.263 0.000 2.469 216 K HA 0.297 4.616 4.320 -0.000 0.000 0.204 216 K C 0.006 176.478 176.600 -0.213 0.000 1.047 216 K CA -0.137 55.950 56.287 -0.333 0.000 1.072 216 K CB 1.237 33.376 32.500 -0.603 0.000 0.863 216 K HN 0.695 nan 8.250 nan 0.000 0.530 217 G N 0.862 109.566 108.800 -0.159 0.000 2.468 217 G HA2 0.286 4.246 3.960 -0.000 0.000 0.320 217 G HA3 0.286 4.246 3.960 -0.000 0.000 0.320 217 G C -0.855 173.585 174.900 -0.767 0.000 1.137 217 G CA -0.019 44.877 45.100 -0.341 0.000 0.984 217 G HN -0.060 nan 8.290 nan 0.000 0.462 218 T N 0.865 115.036 114.554 -0.639 0.000 2.923 218 T HA 0.403 4.753 4.350 -0.000 0.000 0.311 218 T C -0.528 174.203 174.700 0.052 0.000 1.183 218 T CA -0.466 61.455 62.100 -0.298 0.000 1.020 218 T CB 2.052 70.856 68.868 -0.107 0.000 1.165 218 T HN 0.248 nan 8.240 nan 0.000 0.482 219 D N 0.971 121.505 120.400 0.222 0.000 2.449 219 D HA 0.208 4.848 4.640 -0.000 0.000 0.210 219 D C 0.274 176.669 176.300 0.158 0.000 1.094 219 D CA 0.261 54.407 54.000 0.243 0.000 0.846 219 D CB 0.641 41.607 40.800 0.276 0.000 1.003 219 D HN 0.489 nan 8.370 nan 0.000 0.504 220 T N 1.215 115.809 114.554 0.068 0.000 3.455 220 T HA 0.068 4.418 4.350 -0.000 0.000 0.286 220 T C 1.795 176.390 174.700 -0.175 0.000 1.157 220 T CA -0.158 61.875 62.100 -0.111 0.000 1.090 220 T CB 0.749 69.450 68.868 -0.279 0.000 1.112 220 T HN -0.153 nan 8.240 nan 0.000 0.779 221 V N 2.296 122.197 119.914 -0.022 0.000 2.313 221 V HA -0.340 3.780 4.120 -0.000 0.000 0.253 221 V C 2.861 178.896 176.094 -0.098 0.000 1.070 221 V CA 2.280 64.577 62.300 -0.005 0.000 1.057 221 V CB -1.354 30.530 31.823 0.102 0.000 0.653 221 V HN 0.908 nan 8.190 nan 0.000 0.450 222 A N 0.743 123.419 122.820 -0.240 0.000 1.940 222 A HA -0.246 4.073 4.320 -0.000 0.000 0.221 222 A C 2.454 179.921 177.584 -0.195 0.000 1.190 222 A CA 2.476 54.367 52.037 -0.242 0.000 0.647 222 A CB -1.422 17.294 19.000 -0.474 0.000 0.821 222 A HN 0.611 nan 8.150 nan 0.000 0.457 223 G N -0.202 108.463 108.800 -0.225 0.000 2.446 223 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 223 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 223 G C 1.535 176.330 174.900 -0.175 0.000 1.168 223 G CA 1.136 46.124 45.100 -0.188 0.000 0.771 223 G HN 0.518 nan 8.290 nan 0.000 0.551 224 I N 1.417 121.900 120.570 -0.145 0.000 2.099 224 I HA -0.255 3.914 4.170 -0.000 0.000 0.239 224 I C 3.358 179.420 176.117 -0.091 0.000 1.066 224 I CA 1.214 62.435 61.300 -0.132 0.000 1.324 224 I CB -0.384 37.573 38.000 -0.072 0.000 1.037 224 I HN 0.265 nan 8.210 nan 0.000 0.401 225 A N 0.794 123.587 122.820 -0.045 0.000 1.873 225 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 225 A C 2.386 179.995 177.584 0.041 0.000 1.193 225 A CA 1.930 53.966 52.037 -0.002 0.000 0.629 225 A CB -1.135 17.877 19.000 0.018 0.000 0.826 225 A HN 0.492 nan 8.150 nan 0.000 0.447 226 L N -0.532 120.722 121.223 0.051 0.000 2.089 226 L HA -0.225 4.115 4.340 -0.000 0.000 0.213 226 L C 2.307 179.323 176.870 0.244 0.000 1.079 226 L CA 1.762 56.705 54.840 0.171 0.000 0.758 226 L CB -0.215 41.807 42.059 -0.061 0.000 0.891 226 L HN 0.501 nan 8.230 nan 0.000 0.433 227 I N -0.650 119.941 120.570 0.035 0.000 2.235 227 I HA -0.249 3.920 4.170 -0.000 0.000 0.241 227 I C 2.198 178.363 176.117 0.080 0.000 1.085 227 I CA 1.133 62.433 61.300 -0.000 0.000 1.378 227 I CB -0.305 37.404 38.000 -0.485 0.000 1.076 227 I HN 0.123 nan 8.210 nan 0.000 0.415 228 K N 0.655 121.057 120.400 0.003 0.000 2.574 228 K HA -0.144 4.176 4.320 -0.000 0.000 0.193 228 K C 1.846 178.437 176.600 -0.015 0.000 1.035 228 K CA 0.698 56.989 56.287 0.007 0.000 0.982 228 K CB 0.078 32.570 32.500 -0.013 0.000 0.795 228 K HN 0.261 nan 8.250 nan 0.000 0.491 229 K N -0.599 119.793 120.400 -0.013 0.000 2.262 229 K HA 0.026 4.346 4.320 -0.000 0.000 0.200 229 K C 0.777 177.104 176.600 -0.454 0.000 1.058 229 K CA 0.464 56.610 56.287 -0.235 0.000 0.974 229 K CB 0.402 32.746 32.500 -0.260 0.000 0.910 229 K HN 0.014 nan 8.250 nan 0.000 0.484 230 Y N -1.903 118.458 120.300 0.102 0.000 2.445 230 Y HA 0.193 4.742 4.550 -0.001 0.000 0.247 230 Y C 0.654 176.438 175.900 -0.192 0.000 1.129 230 Y CA -0.170 57.932 58.100 0.004 0.000 1.251 230 Y CB 0.725 39.245 38.460 0.099 0.000 1.176 230 Y HN 0.034 nan 8.280 nan 0.000 0.522 231 Y N -0.815 119.622 120.300 0.228 0.000 2.652 231 Y HA 0.470 5.020 4.550 -0.001 0.000 0.274 231 Y C 1.387 177.396 175.900 0.182 0.000 1.148 231 Y CA -0.014 58.239 58.100 0.256 0.000 1.219 231 Y CB 0.545 39.260 38.460 0.425 0.000 1.337 231 Y HN -0.085 nan 8.280 nan 0.000 0.490 232 G N 0.993 109.948 108.800 0.258 0.000 2.750 232 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.686 232 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.686 232 G C -0.446 174.569 174.900 0.193 0.000 1.395 232 G CA 0.119 45.312 45.100 0.154 0.000 0.918 232 G HN 0.307 nan 8.290 nan 0.000 0.594 233 T N 1.079 115.706 114.554 0.122 0.000 3.143 233 T HA 0.585 4.934 4.350 -0.000 0.000 0.312 233 T C 1.113 175.861 174.700 0.079 0.000 0.986 233 T CA -0.238 61.939 62.100 0.129 0.000 1.024 233 T CB 1.040 69.980 68.868 0.119 0.000 1.030 233 T HN 0.613 nan 8.240 nan 0.000 0.448 234 K N 2.332 122.777 120.400 0.074 0.000 2.155 234 K HA 0.109 4.429 4.320 -0.000 0.000 0.203 234 K C 0.699 177.326 176.600 0.045 0.000 1.052 234 K CA 0.289 56.606 56.287 0.050 0.000 0.948 234 K CB -0.226 32.300 32.500 0.043 0.000 0.728 234 K HN 0.688 nan 8.250 nan 0.000 0.448 235 D N 0.823 121.256 120.400 0.054 0.000 2.563 235 D HA -0.081 4.559 4.640 -0.000 0.000 0.229 235 D C -1.289 175.036 176.300 0.041 0.000 1.159 235 D CA -0.860 53.168 54.000 0.047 0.000 0.869 235 D CB 0.756 41.593 40.800 0.060 0.000 1.203 235 D HN -0.049 nan 8.370 nan 0.000 0.478 236 P HA -0.103 nan 4.420 nan 0.000 0.212 236 P C -0.079 177.246 177.300 0.043 0.000 1.180 236 P CA 0.602 63.721 63.100 0.033 0.000 0.906 236 P CB 0.087 31.801 31.700 0.023 0.000 0.782 237 V N 3.670 123.614 119.914 0.051 0.000 2.304 237 V HA 0.126 4.245 4.120 -0.000 0.000 0.262 237 V C -1.083 175.052 176.094 0.068 0.000 1.061 237 V CA -1.035 61.312 62.300 0.079 0.000 0.872 237 V CB 0.613 32.502 31.823 0.109 0.000 1.077 237 V HN 0.174 nan 8.190 nan 0.000 0.480 238 P HA 0.076 nan 4.420 nan 0.000 0.230 238 P C 0.639 177.924 177.300 -0.024 0.000 1.158 238 P CA 0.876 63.968 63.100 -0.014 0.000 0.769 238 P CB 0.601 32.251 31.700 -0.083 0.000 0.807 239 G N -1.247 107.577 108.800 0.041 0.000 2.658 239 G HA2 0.363 4.322 3.960 -0.000 0.000 0.301 239 G HA3 0.363 4.322 3.960 -0.000 0.000 0.301 239 G C -2.564 172.456 174.900 0.200 0.000 1.481 239 G CA -0.450 44.689 45.100 0.065 0.000 0.931 239 G HN -0.052 nan 8.290 nan 0.000 0.573 240 Y N 1.242 121.613 120.300 0.119 0.000 2.549 240 Y HA 0.858 5.408 4.550 -0.001 0.000 0.339 240 Y C -0.009 176.044 175.900 0.255 0.000 1.053 240 Y CA -0.972 57.260 58.100 0.220 0.000 1.105 240 Y CB 2.588 41.289 38.460 0.402 0.000 1.258 240 Y HN 0.855 nan 8.280 nan 0.000 0.478 241 S N 2.603 117.931 115.700 -0.620 0.000 2.588 241 S HA 0.813 5.282 4.470 -0.000 0.000 0.269 241 S C -1.828 172.316 174.600 -0.759 0.000 1.157 241 S CA -0.172 57.783 58.200 -0.409 0.000 0.824 241 S CB 0.769 63.943 63.200 -0.045 0.000 1.126 241 S HN 1.201 nan 8.310 nan 0.000 0.464 242 V N 0.581 120.236 119.914 -0.432 0.000 3.040 242 V HA 0.847 4.967 4.120 -0.000 0.000 0.312 242 V C -2.722 173.213 176.094 -0.264 0.000 1.115 242 V CA -2.301 59.810 62.300 -0.315 0.000 0.998 242 V CB 1.378 33.061 31.823 -0.235 0.000 1.042 242 V HN 0.805 nan 8.190 nan 0.000 0.433 243 P HA 0.447 nan 4.420 nan 0.000 0.264 243 P C -0.387 176.611 177.300 -0.504 0.000 1.193 243 P CA 0.523 63.344 63.100 -0.464 0.000 0.763 243 P CB 1.024 32.254 31.700 -0.783 0.000 0.810 244 A N 2.356 124.910 122.820 -0.444 0.000 2.530 244 A HA 0.821 5.141 4.320 -0.000 0.000 0.288 244 A C -0.974 176.428 177.584 -0.303 0.000 1.172 244 A CA -0.481 51.338 52.037 -0.363 0.000 0.733 244 A CB 1.596 20.397 19.000 -0.331 0.000 1.320 244 A HN 0.617 nan 8.150 nan 0.000 0.419 245 A N -0.281 122.403 122.820 -0.227 0.000 2.313 245 A HA 0.845 5.165 4.320 -0.000 0.000 0.323 245 A C -0.349 177.122 177.584 -0.189 0.000 1.133 245 A CA -0.002 51.951 52.037 -0.141 0.000 0.847 245 A CB 0.863 19.841 19.000 -0.037 0.000 1.308 245 A HN 1.132 nan 8.150 nan 0.000 0.475 246 E N -1.074 119.036 120.200 -0.150 0.000 2.416 246 E HA 0.459 4.809 4.350 -0.000 0.000 0.273 246 E C -0.418 176.074 176.600 -0.180 0.000 0.935 246 E CA -0.737 55.533 56.400 -0.217 0.000 0.784 246 E CB 0.684 30.307 29.700 -0.129 0.000 1.301 246 E HN 0.635 nan 8.360 nan 0.000 0.454 247 H N 0.376 119.425 119.070 -0.034 0.000 2.426 247 H HA -0.207 4.349 4.556 -0.001 0.000 0.298 247 H C 2.205 177.533 175.328 0.000 0.000 1.107 247 H CA 2.602 58.628 56.048 -0.037 0.000 1.298 247 H CB 0.054 29.773 29.762 -0.072 0.000 1.377 247 H HN 0.634 nan 8.280 nan 0.000 0.519 248 S N 0.194 115.956 115.700 0.104 0.000 2.356 248 S HA -0.207 4.263 4.470 -0.000 0.000 0.223 248 S C 2.251 176.931 174.600 0.132 0.000 1.032 248 S CA 1.591 59.846 58.200 0.092 0.000 1.005 248 S CB -0.938 62.295 63.200 0.054 0.000 0.867 248 S HN 0.610 nan 8.310 nan 0.000 0.449 249 T N -1.288 113.347 114.554 0.134 0.000 3.139 249 T HA 0.127 4.477 4.350 -0.000 0.000 0.267 249 T C 1.282 176.199 174.700 0.361 0.000 1.164 249 T CA 0.802 63.048 62.100 0.243 0.000 1.075 249 T CB -0.378 68.612 68.868 0.202 0.000 0.904 249 T HN 0.361 nan 8.240 nan 0.000 0.540 250 I N 1.644 122.361 120.570 0.245 0.000 3.518 250 I HA 0.088 4.258 4.170 -0.000 0.000 0.260 250 I C 2.704 178.980 176.117 0.266 0.000 1.148 250 I CA 1.052 62.452 61.300 0.168 0.000 1.440 250 I CB -0.755 37.251 38.000 0.009 0.000 1.485 250 I HN 0.331 nan 8.210 nan 0.000 0.456 251 T N -0.275 114.395 114.554 0.193 0.000 2.803 251 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 251 T C 1.943 176.786 174.700 0.239 0.000 1.052 251 T CA 1.256 63.491 62.100 0.225 0.000 1.136 251 T CB -0.772 68.173 68.868 0.129 0.000 0.864 251 T HN 0.220 nan 8.240 nan 0.000 0.467 252 A N 0.551 123.495 122.820 0.207 0.000 2.024 252 A HA 0.018 4.337 4.320 -0.000 0.000 0.220 252 A C 1.853 179.490 177.584 0.087 0.000 1.164 252 A CA 1.087 53.182 52.037 0.097 0.000 0.643 252 A CB -1.245 17.758 19.000 0.005 0.000 0.806 252 A HN 0.769 nan 8.150 nan 0.000 0.451 253 W N -0.548 120.775 121.300 0.038 0.000 3.077 253 W HA 0.388 5.048 4.660 -0.001 0.000 0.245 253 W C 1.291 177.882 176.519 0.121 0.000 1.316 253 W CA 1.063 58.431 57.345 0.037 0.000 1.537 253 W CB -0.485 28.988 29.460 0.021 0.000 1.131 253 W HN 0.644 nan 8.180 nan 0.000 0.695 254 G N 0.260 109.238 108.800 0.296 0.000 2.692 254 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.686 254 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.686 254 G C 0.504 175.457 174.900 0.087 0.000 1.243 254 G CA -0.174 45.040 45.100 0.191 0.000 0.782 254 G HN 0.128 nan 8.290 nan 0.000 0.625 255 K N -0.236 120.098 120.400 -0.111 0.000 2.063 255 K HA -0.119 4.200 4.320 -0.000 0.000 0.208 255 K C 1.635 177.974 176.600 -0.434 0.000 1.048 255 K CA 1.972 57.952 56.287 -0.511 0.000 0.928 255 K CB -0.107 32.003 32.500 -0.650 0.000 0.713 255 K HN 0.495 nan 8.250 nan 0.000 0.442 256 D N -0.261 119.908 120.400 -0.384 0.000 2.378 256 D HA -0.084 4.556 4.640 -0.000 0.000 0.227 256 D C 0.380 176.359 176.300 -0.534 0.000 1.012 256 D CA 0.802 54.524 54.000 -0.463 0.000 0.905 256 D CB 0.087 40.580 40.800 -0.512 0.000 0.895 256 D HN 0.344 nan 8.370 nan 0.000 0.532 257 H N -0.385 118.641 119.070 -0.072 0.000 2.492 257 H HA 0.172 4.728 4.556 -0.001 0.000 0.264 257 H C 1.258 176.485 175.328 -0.167 0.000 1.150 257 H CA -0.188 55.829 56.048 -0.051 0.000 0.962 257 H CB 0.433 30.254 29.762 0.098 0.000 1.766 257 H HN 0.255 nan 8.280 nan 0.000 0.589 258 E N 1.728 121.820 120.200 -0.181 0.000 2.051 258 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 258 E C 2.189 178.374 176.600 -0.690 0.000 0.991 258 E CA 0.914 57.053 56.400 -0.436 0.000 0.799 258 E CB 0.359 29.818 29.700 -0.402 0.000 0.748 258 E HN 0.249 nan 8.360 nan 0.000 0.449 259 K N 0.429 120.571 120.400 -0.431 0.000 2.063 259 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 259 K C 1.559 177.983 176.600 -0.294 0.000 1.048 259 K CA 1.911 58.007 56.287 -0.318 0.000 0.928 259 K CB -0.078 32.330 32.500 -0.154 0.000 0.713 259 K HN 0.148 nan 8.250 nan 0.000 0.442 260 D N 0.415 120.655 120.400 -0.267 0.000 2.123 260 D HA -0.165 4.475 4.640 -0.000 0.000 0.196 260 D C 1.840 177.646 176.300 -0.824 0.000 0.992 260 D CA 1.376 55.178 54.000 -0.330 0.000 0.833 260 D CB -0.203 40.529 40.800 -0.115 0.000 0.954 260 D HN 0.377 nan 8.370 nan 0.000 0.455 261 A N 1.142 123.286 122.820 -1.126 0.000 1.851 261 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 261 A C 2.076 179.334 177.584 -0.543 0.000 1.195 261 A CA 1.142 52.276 52.037 -1.505 0.000 0.622 261 A CB -1.017 17.303 19.000 -1.132 0.000 0.831 261 A HN 0.055 nan 8.150 nan 0.000 0.444 262 F N 0.092 119.794 119.950 -0.415 0.000 2.043 262 F HA -0.206 4.320 4.527 -0.000 0.000 0.297 262 F C 2.416 178.143 175.800 -0.123 0.000 1.121 262 F CA 1.538 59.387 58.000 -0.253 0.000 1.199 262 F CB -1.273 37.297 39.000 -0.716 0.000 0.968 262 F HN 0.539 nan 8.300 nan 0.000 0.478 263 E N -0.950 119.261 120.200 0.019 0.000 2.160 263 E HA -0.313 4.037 4.350 -0.000 0.000 0.195 263 E C 2.132 178.752 176.600 0.034 0.000 0.991 263 E CA 1.580 57.994 56.400 0.023 0.000 0.810 263 E CB -0.335 29.357 29.700 -0.013 0.000 0.742 263 E HN 0.547 nan 8.360 nan 0.000 0.466 264 H N 0.018 119.013 119.070 -0.125 0.000 2.395 264 H HA 0.019 4.574 4.556 -0.000 0.000 0.299 264 H C 1.802 177.184 175.328 0.090 0.000 1.070 264 H CA 1.929 57.959 56.048 -0.030 0.000 1.356 264 H CB -0.002 29.707 29.762 -0.089 0.000 1.401 264 H HN 0.225 nan 8.280 nan 0.000 0.524 265 I N 0.200 120.815 120.570 0.076 0.000 2.406 265 I HA -0.157 4.012 4.170 -0.000 0.000 0.249 265 I C 2.312 178.582 176.117 0.256 0.000 1.122 265 I CA 0.992 62.419 61.300 0.211 0.000 1.431 265 I CB -0.088 38.082 38.000 0.283 0.000 1.087 265 I HN 0.289 nan 8.210 nan 0.000 0.424 266 V N -2.542 117.481 119.914 0.182 0.000 2.667 266 V HA -0.140 3.980 4.120 -0.000 0.000 0.252 266 V C 2.151 178.286 176.094 0.069 0.000 1.065 266 V CA 1.922 64.310 62.300 0.147 0.000 1.083 266 V CB -1.202 30.715 31.823 0.156 0.000 0.692 266 V HN 0.308 nan 8.190 nan 0.000 0.468 267 T N -0.196 114.358 114.554 0.001 0.000 2.851 267 T HA -0.078 4.272 4.350 -0.000 0.000 0.262 267 T C 1.981 176.578 174.700 -0.171 0.000 1.043 267 T CA 1.465 63.525 62.100 -0.067 0.000 1.140 267 T CB -0.283 68.543 68.868 -0.070 0.000 0.872 267 T HN 0.443 nan 8.240 nan 0.000 0.446 268 Q N 0.183 119.798 119.800 -0.308 0.000 2.291 268 Q HA 0.030 4.370 4.340 -0.000 0.000 0.206 268 Q C -0.057 175.369 176.000 -0.956 0.000 0.976 268 Q CA 0.963 56.371 55.803 -0.658 0.000 0.875 268 Q CB -0.111 28.121 28.738 -0.844 0.000 0.927 268 Q HN 0.578 nan 8.270 nan 0.000 0.450 269 F N -0.283 119.632 119.950 -0.059 0.000 2.564 269 F HA 0.197 4.724 4.527 -0.000 0.000 0.329 269 F C 0.974 176.751 175.800 -0.038 0.000 1.458 269 F CA -0.412 57.565 58.000 -0.040 0.000 1.117 269 F CB 0.491 39.467 39.000 -0.039 0.000 1.383 269 F HN -0.124 nan 8.300 nan 0.000 0.571 270 S N -1.402 114.322 115.700 0.040 0.000 2.456 270 S HA -0.086 4.384 4.470 -0.000 0.000 0.224 270 S C 1.914 176.530 174.600 0.027 0.000 1.035 270 S CA 0.772 58.987 58.200 0.026 0.000 0.940 270 S CB -0.272 62.923 63.200 -0.008 0.000 0.799 270 S HN 0.383 nan 8.310 nan 0.000 0.508 271 S N 1.272 116.988 115.700 0.026 0.000 2.528 271 S HA 0.279 4.749 4.470 -0.000 0.000 0.219 271 S C 0.588 175.218 174.600 0.050 0.000 0.985 271 S CA 0.080 58.297 58.200 0.028 0.000 0.914 271 S CB -0.628 62.582 63.200 0.016 0.000 0.776 271 S HN 0.786 nan 8.310 nan 0.000 0.526 272 V N -2.324 117.639 119.914 0.082 0.000 3.040 272 V HA 0.724 4.843 4.120 -0.000 0.000 0.312 272 V C -3.123 173.016 176.094 0.076 0.000 1.115 272 V CA -3.087 59.269 62.300 0.093 0.000 0.998 272 V CB 1.688 33.593 31.823 0.138 0.000 1.042 272 V HN -0.054 nan 8.190 nan 0.000 0.433 273 P HA 0.260 nan 4.420 nan 0.000 0.271 273 P C -0.821 176.447 177.300 -0.054 0.000 1.216 273 P CA 0.201 63.295 63.100 -0.010 0.000 0.771 273 P CB 1.734 33.426 31.700 -0.014 0.000 0.864 274 V N 2.447 122.303 119.914 -0.096 0.000 2.623 274 V HA 0.381 4.500 4.120 -0.000 0.000 0.304 274 V C -0.368 175.594 176.094 -0.219 0.000 1.054 274 V CA -0.533 61.660 62.300 -0.178 0.000 0.882 274 V CB 2.003 33.761 31.823 -0.107 0.000 1.002 274 V HN 0.683 nan 8.190 nan 0.000 0.424 275 S N 5.005 120.552 115.700 -0.255 0.000 2.585 275 S HA 0.814 5.284 4.470 -0.000 0.000 0.277 275 S C -0.923 173.540 174.600 -0.229 0.000 1.241 275 S CA -0.406 57.642 58.200 -0.254 0.000 1.041 275 S CB 1.360 64.415 63.200 -0.242 0.000 0.987 275 S HN 0.908 nan 8.310 nan 0.000 0.512 276 V N 5.298 125.079 119.914 -0.223 0.000 2.509 276 V HA 0.277 4.397 4.120 -0.000 0.000 0.289 276 V C -0.228 175.835 176.094 -0.052 0.000 1.026 276 V CA -1.044 61.195 62.300 -0.101 0.000 0.872 276 V CB 1.276 33.096 31.823 -0.004 0.000 1.017 276 V HN 0.880 nan 8.190 nan 0.000 0.436 277 V N 2.474 122.363 119.914 -0.042 0.000 2.617 277 V HA 0.345 4.465 4.120 -0.000 0.000 0.304 277 V C 0.968 177.182 176.094 0.200 0.000 1.040 277 V CA 0.925 63.204 62.300 -0.035 0.000 1.149 277 V CB 0.838 32.504 31.823 -0.262 0.000 0.914 277 V HN 1.074 nan 8.190 nan 0.000 0.487 278 S N 0.115 115.939 115.700 0.208 0.000 2.952 278 S HA 0.166 4.636 4.470 -0.000 0.000 0.251 278 S C 0.558 175.292 174.600 0.222 0.000 1.021 278 S CA 0.139 58.590 58.200 0.419 0.000 1.067 278 S CB -0.038 63.453 63.200 0.484 0.000 1.002 278 S HN 0.963 nan 8.310 nan 0.000 0.574 279 D N 1.477 121.952 120.400 0.125 0.000 2.369 279 D HA 0.063 4.703 4.640 -0.000 0.000 0.211 279 D C 1.405 177.686 176.300 -0.032 0.000 1.077 279 D CA 0.463 54.485 54.000 0.037 0.000 0.842 279 D CB -0.360 40.454 40.800 0.024 0.000 0.947 279 D HN 0.288 nan 8.370 nan 0.000 0.509 280 S N -0.194 115.468 115.700 -0.064 0.000 2.393 280 S HA -0.213 4.257 4.470 -0.000 0.000 0.234 280 S C 0.129 174.305 174.600 -0.706 0.000 1.064 280 S CA 1.130 59.062 58.200 -0.446 0.000 1.088 280 S CB -0.860 61.921 63.200 -0.699 0.000 0.939 280 S HN 0.516 nan 8.310 nan 0.000 0.448 281 Y N 0.309 120.620 120.300 0.019 0.000 2.470 281 Y HA 0.496 5.046 4.550 -0.000 0.000 0.341 281 Y C -0.502 175.396 175.900 -0.002 0.000 1.021 281 Y CA -1.771 56.325 58.100 -0.008 0.000 1.025 281 Y CB 0.725 39.171 38.460 -0.024 0.000 1.266 281 Y HN -0.126 nan 8.280 nan 0.000 0.448 282 D N 1.947 122.419 120.400 0.119 0.000 4.055 282 D HA -0.216 4.424 4.640 -0.000 0.000 0.198 282 D C 0.519 176.826 176.300 0.011 0.000 1.089 282 D CA 0.589 54.624 54.000 0.058 0.000 1.033 282 D CB 0.184 41.049 40.800 0.109 0.000 0.876 282 D HN 0.712 nan 8.370 nan 0.000 0.468 283 I N 4.178 124.648 120.570 -0.167 0.000 2.286 283 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 283 I C 1.603 177.658 176.117 -0.103 0.000 1.115 283 I CA 1.455 62.641 61.300 -0.190 0.000 1.392 283 I CB -0.239 37.509 38.000 -0.420 0.000 1.065 283 I HN 0.554 nan 8.210 nan 0.000 0.418 284 Y N -0.075 120.293 120.300 0.113 0.000 2.632 284 Y HA -0.096 4.454 4.550 -0.001 0.000 0.301 284 Y C 2.279 178.250 175.900 0.119 0.000 1.172 284 Y CA 0.563 58.728 58.100 0.108 0.000 1.328 284 Y CB -0.579 37.931 38.460 0.083 0.000 1.016 284 Y HN 0.370 nan 8.280 nan 0.000 0.529 285 N N 0.368 119.197 118.700 0.215 0.000 2.499 285 N HA -0.035 4.704 4.740 -0.000 0.000 0.182 285 N C 1.959 177.574 175.510 0.176 0.000 1.034 285 N CA 0.936 54.090 53.050 0.173 0.000 0.882 285 N CB -0.019 38.544 38.487 0.128 0.000 1.125 285 N HN 0.255 nan 8.380 nan 0.000 0.436 286 A N 1.207 124.152 122.820 0.209 0.000 1.877 286 A HA -0.112 4.207 4.320 -0.000 0.000 0.216 286 A C 2.772 180.548 177.584 0.320 0.000 1.186 286 A CA 1.405 53.589 52.037 0.245 0.000 0.620 286 A CB -1.185 18.091 19.000 0.459 0.000 0.822 286 A HN 0.518 nan 8.150 nan 0.000 0.443 287 C N -1.140 118.407 119.300 0.411 0.000 2.418 287 C HA -0.117 4.343 4.460 -0.000 0.000 0.280 287 C C 2.769 177.987 174.990 0.381 0.000 1.223 287 C CA 1.420 60.707 59.018 0.449 0.000 1.736 287 C CB -1.122 26.796 27.740 0.297 0.000 2.056 287 C HN 0.782 nan 8.230 nan 0.000 0.459 288 E N 0.172 120.544 120.200 0.286 0.000 2.072 288 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 288 E C 2.194 178.908 176.600 0.190 0.000 0.985 288 E CA 1.229 57.767 56.400 0.230 0.000 0.801 288 E CB -0.075 29.734 29.700 0.182 0.000 0.750 288 E HN 0.572 nan 8.360 nan 0.000 0.452 289 K N 0.037 120.533 120.400 0.161 0.000 2.172 289 K HA 0.059 4.379 4.320 -0.000 0.000 0.203 289 K C 2.160 178.818 176.600 0.096 0.000 1.040 289 K CA 0.489 56.843 56.287 0.111 0.000 0.974 289 K CB 0.048 32.594 32.500 0.077 0.000 0.857 289 K HN 0.064 nan 8.250 nan 0.000 0.464 290 I N -0.409 120.195 120.570 0.055 0.000 2.394 290 I HA -0.206 3.964 4.170 -0.000 0.000 0.251 290 I C 1.425 177.512 176.117 -0.049 0.000 1.136 290 I CA 1.278 62.546 61.300 -0.054 0.000 1.425 290 I CB -0.167 37.745 38.000 -0.147 0.000 1.079 290 I HN 0.341 nan 8.210 nan 0.000 0.425 291 W N -0.076 121.322 121.300 0.162 0.000 2.808 291 W HA 0.245 4.905 4.660 -0.000 0.000 0.266 291 W C 2.425 179.109 176.519 0.274 0.000 1.247 291 W CA 0.304 57.743 57.345 0.156 0.000 1.440 291 W CB -0.392 29.105 29.460 0.062 0.000 1.040 291 W HN -0.058 nan 8.180 nan 0.000 0.606 292 G N 0.335 109.391 108.800 0.426 0.000 2.484 292 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.218 292 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.218 292 G C 1.025 175.993 174.900 0.112 0.000 1.130 292 G CA 1.285 46.541 45.100 0.261 0.000 0.784 292 G HN 0.244 nan 8.290 nan 0.000 0.543 293 E N -1.005 119.280 120.200 0.141 0.000 3.902 293 E HA 0.070 4.420 4.350 -0.000 0.000 0.247 293 E C 1.496 178.180 176.600 0.140 0.000 1.284 293 E CA -0.079 56.381 56.400 0.100 0.000 1.773 293 E CB 0.058 29.797 29.700 0.064 0.000 1.684 293 E HN -0.061 nan 8.360 nan 0.000 0.762 294 D N 0.868 121.337 120.400 0.115 0.000 2.203 294 D HA -0.158 4.481 4.640 -0.000 0.000 0.199 294 D C 1.287 177.709 176.300 0.202 0.000 0.997 294 D CA 1.316 55.387 54.000 0.118 0.000 0.863 294 D CB 0.234 41.064 40.800 0.050 0.000 0.928 294 D HN 0.185 nan 8.370 nan 0.000 0.458 295 L N -0.387 120.943 121.223 0.178 0.000 3.016 295 L HA 0.202 4.542 4.340 -0.000 0.000 0.267 295 L C 1.809 178.749 176.870 0.117 0.000 1.182 295 L CA -0.412 54.487 54.840 0.099 0.000 0.997 295 L CB 0.588 42.691 42.059 0.073 0.000 1.354 295 L HN -0.218 nan 8.230 nan 0.000 0.569 296 R N 1.290 121.950 120.500 0.267 0.000 2.168 296 R HA -0.245 4.095 4.340 -0.000 0.000 0.242 296 R C 2.165 178.573 176.300 0.180 0.000 1.123 296 R CA 2.406 58.661 56.100 0.258 0.000 0.928 296 R CB -1.127 29.260 30.300 0.145 0.000 0.873 296 R HN 0.598 nan 8.270 nan 0.000 0.434 297 H N 0.153 119.270 119.070 0.078 0.000 2.518 297 H HA -0.092 4.463 4.556 -0.000 0.000 0.294 297 H C 1.893 177.242 175.328 0.035 0.000 1.083 297 H CA 1.166 57.236 56.048 0.036 0.000 1.264 297 H CB -0.640 29.137 29.762 0.025 0.000 1.370 297 H HN 0.256 nan 8.280 nan 0.000 0.560 298 L N -0.114 120.902 121.223 -0.345 0.000 2.446 298 L HA 0.118 4.458 4.340 -0.000 0.000 0.219 298 L C 2.217 179.038 176.870 -0.082 0.000 1.116 298 L CA 0.194 54.913 54.840 -0.201 0.000 0.844 298 L CB 0.053 41.998 42.059 -0.190 0.000 0.970 298 L HN 0.163 nan 8.230 nan 0.000 0.457 299 I N -1.336 119.211 120.570 -0.039 0.000 2.681 299 I HA -0.088 4.081 4.170 -0.000 0.000 0.247 299 I C 2.272 178.156 176.117 -0.390 0.000 1.091 299 I CA 0.357 61.611 61.300 -0.077 0.000 1.442 299 I CB -0.223 37.834 38.000 0.095 0.000 1.219 299 I HN -0.146 nan 8.210 nan 0.000 0.451 300 V N 1.454 121.129 119.914 -0.399 0.000 2.660 300 V HA -0.248 3.871 4.120 -0.000 0.000 0.257 300 V C 2.449 178.189 176.094 -0.591 0.000 1.088 300 V CA 2.191 63.986 62.300 -0.841 0.000 1.106 300 V CB -1.093 30.584 31.823 -0.244 0.000 0.686 300 V HN 0.618 nan 8.190 nan 0.000 0.481 301 S N -0.658 114.863 115.700 -0.298 0.000 2.558 301 S HA 0.104 4.573 4.470 -0.000 0.000 0.217 301 S C 0.902 175.429 174.600 -0.122 0.000 0.975 301 S CA -0.283 57.826 58.200 -0.152 0.000 0.912 301 S CB -0.064 63.096 63.200 -0.066 0.000 0.776 301 S HN 0.626 nan 8.310 nan 0.000 0.526 302 R N 2.089 122.494 120.500 -0.158 0.000 2.528 302 R HA 0.490 4.829 4.340 -0.000 0.000 0.271 302 R C 0.332 176.646 176.300 0.023 0.000 1.056 302 R CA -0.024 56.047 56.100 -0.049 0.000 1.117 302 R CB 0.837 31.120 30.300 -0.029 0.000 1.085 302 R HN 0.433 nan 8.270 nan 0.000 0.530 303 S N -0.743 114.980 115.700 0.039 0.000 2.632 303 S HA 0.004 4.473 4.470 -0.000 0.000 0.271 303 S C 1.385 176.029 174.600 0.073 0.000 1.260 303 S CA -0.237 57.999 58.200 0.060 0.000 1.010 303 S CB 1.613 64.834 63.200 0.035 0.000 0.965 303 S HN 0.771 nan 8.310 nan 0.000 0.534 304 T N -1.559 113.037 114.554 0.070 0.000 2.929 304 T HA -0.111 4.239 4.350 -0.000 0.000 0.271 304 T C 1.179 175.885 174.700 0.010 0.000 1.085 304 T CA 1.515 63.639 62.100 0.039 0.000 1.125 304 T CB -0.623 68.258 68.868 0.022 0.000 0.874 304 T HN 0.815 nan 8.240 nan 0.000 0.494 305 E N 0.744 120.952 120.200 0.012 0.000 2.502 305 E HA 0.351 4.701 4.350 -0.000 0.000 0.194 305 E C 0.470 177.075 176.600 0.008 0.000 1.062 305 E CA 0.154 56.555 56.400 0.001 0.000 0.867 305 E CB -0.059 29.642 29.700 0.001 0.000 0.888 305 E HN 0.634 nan 8.360 nan 0.000 0.510 306 A N 1.812 124.639 122.820 0.012 0.000 3.411 306 A HA 0.274 4.593 4.320 -0.000 0.000 0.238 306 A C -2.803 174.782 177.584 0.002 0.000 1.140 306 A CA -0.955 51.090 52.037 0.013 0.000 0.980 306 A CB 0.464 19.480 19.000 0.027 0.000 1.371 306 A HN 0.071 nan 8.150 nan 0.000 0.700 307 P HA 0.480 nan 4.420 nan 0.000 0.279 307 P C -0.421 176.816 177.300 -0.106 0.000 1.276 307 P CA -0.494 62.584 63.100 -0.037 0.000 0.801 307 P CB 1.269 32.935 31.700 -0.057 0.000 1.127 308 L N 0.988 122.107 121.223 -0.173 0.000 2.264 308 L HA 0.377 4.717 4.340 -0.000 0.000 0.289 308 L C -0.584 176.069 176.870 -0.361 0.000 1.044 308 L CA -0.340 54.320 54.840 -0.300 0.000 0.807 308 L CB -0.219 41.569 42.059 -0.453 0.000 1.192 308 L HN 0.088 nan 8.230 nan 0.000 0.425 309 I N 7.009 127.378 120.570 -0.335 0.000 2.282 309 I HA 0.286 4.455 4.170 -0.000 0.000 0.290 309 I C 0.195 176.078 176.117 -0.389 0.000 1.090 309 I CA 0.059 61.165 61.300 -0.322 0.000 1.231 309 I CB 0.177 38.032 38.000 -0.242 0.000 1.434 309 I HN 0.493 nan 8.210 nan 0.000 0.487 310 I N 5.713 125.999 120.570 -0.473 0.000 2.648 310 I HA 0.134 4.304 4.170 -0.000 0.000 0.284 310 I C 0.751 176.685 176.117 -0.305 0.000 1.153 310 I CA 0.113 61.122 61.300 -0.485 0.000 1.426 310 I CB 0.340 38.018 38.000 -0.536 0.000 1.381 310 I HN 0.565 nan 8.210 nan 0.000 0.571 311 R N 8.685 129.051 120.500 -0.223 0.000 2.473 311 R HA 0.447 4.786 4.340 -0.000 0.000 0.303 311 R C -2.800 173.445 176.300 -0.091 0.000 1.002 311 R CA -1.550 54.458 56.100 -0.154 0.000 0.884 311 R CB 1.930 32.144 30.300 -0.142 0.000 1.173 311 R HN 0.277 nan 8.270 nan 0.000 0.464 312 P HA 0.243 nan 4.420 nan 0.000 0.282 312 P C -0.965 176.329 177.300 -0.010 0.000 1.259 312 P CA -0.211 62.863 63.100 -0.044 0.000 0.826 312 P CB 1.642 33.306 31.700 -0.061 0.000 1.064 313 D N -0.686 119.729 120.400 0.025 0.000 2.672 313 D HA 0.155 4.794 4.640 -0.000 0.000 0.287 313 D C -0.618 175.714 176.300 0.053 0.000 1.559 313 D CA -0.078 53.961 54.000 0.065 0.000 0.796 313 D CB 0.243 41.123 40.800 0.133 0.000 1.181 313 D HN 0.376 nan 8.370 nan 0.000 0.458 314 S N -1.638 114.071 115.700 0.015 0.000 2.615 314 S HA 0.786 5.255 4.470 -0.000 0.000 0.269 314 S C 0.208 174.806 174.600 -0.004 0.000 1.161 314 S CA -0.203 57.997 58.200 -0.000 0.000 0.817 314 S CB 1.419 64.603 63.200 -0.026 0.000 1.131 314 S HN 0.679 nan 8.310 nan 0.000 0.467 315 G N 1.435 110.242 108.800 0.010 0.000 2.746 315 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.685 315 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.685 315 G C -0.525 174.403 174.900 0.047 0.000 1.350 315 G CA -0.408 44.712 45.100 0.033 0.000 0.837 315 G HN 1.274 nan 8.290 nan 0.000 0.564 316 N N 1.782 120.520 118.700 0.062 0.000 2.374 316 N HA 0.050 4.789 4.740 -0.000 0.000 0.269 316 N C 0.025 175.573 175.510 0.065 0.000 1.310 316 N CA -0.441 52.645 53.050 0.060 0.000 0.877 316 N CB 1.000 39.526 38.487 0.066 0.000 1.096 316 N HN 0.314 nan 8.380 nan 0.000 0.484 317 P HA -0.195 nan 4.420 nan 0.000 0.218 317 P C 1.400 178.744 177.300 0.073 0.000 1.146 317 P CA 0.722 63.861 63.100 0.067 0.000 0.813 317 P CB 0.446 32.189 31.700 0.072 0.000 0.778 318 L N 0.503 121.766 121.223 0.067 0.000 2.189 318 L HA 0.040 4.379 4.340 -0.000 0.000 0.199 318 L C 1.623 178.534 176.870 0.067 0.000 1.074 318 L CA 1.973 56.853 54.840 0.066 0.000 0.783 318 L CB -1.396 40.696 42.059 0.055 0.000 0.955 318 L HN -0.156 nan 8.230 nan 0.000 0.460 319 D N -0.267 120.177 120.400 0.074 0.000 2.182 319 D HA -0.165 4.475 4.640 -0.000 0.000 0.201 319 D C 1.948 178.317 176.300 0.114 0.000 0.986 319 D CA 1.632 55.681 54.000 0.083 0.000 0.847 319 D CB -0.116 40.735 40.800 0.084 0.000 0.942 319 D HN 0.330 nan 8.370 nan 0.000 0.467 320 T N 0.418 115.053 114.554 0.134 0.000 2.857 320 T HA -0.046 4.304 4.350 -0.000 0.000 0.266 320 T C 2.240 177.011 174.700 0.117 0.000 1.048 320 T CA 0.372 62.585 62.100 0.189 0.000 1.139 320 T CB -0.059 68.875 68.868 0.109 0.000 0.874 320 T HN -0.013 nan 8.240 nan 0.000 0.455 321 V N 1.504 121.438 119.914 0.035 0.000 2.379 321 V HA -0.043 4.077 4.120 -0.000 0.000 0.245 321 V C 2.396 178.417 176.094 -0.122 0.000 1.044 321 V CA 1.308 63.572 62.300 -0.060 0.000 1.036 321 V CB -0.538 31.245 31.823 -0.067 0.000 0.664 321 V HN 0.447 nan 8.190 nan 0.000 0.453 322 L N -0.366 120.831 121.223 -0.044 0.000 2.141 322 L HA -0.176 4.163 4.340 -0.000 0.000 0.209 322 L C 2.492 179.371 176.870 0.014 0.000 1.094 322 L CA 1.635 56.461 54.840 -0.024 0.000 0.763 322 L CB -0.501 41.611 42.059 0.089 0.000 0.908 322 L HN 0.292 nan 8.230 nan 0.000 0.437 323 K N -0.055 120.364 120.400 0.032 0.000 2.044 323 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 323 K C 2.070 178.715 176.600 0.075 0.000 1.049 323 K CA 0.714 57.003 56.287 0.004 0.000 0.945 323 K CB 0.097 32.502 32.500 -0.159 0.000 0.724 323 K HN -0.034 nan 8.250 nan 0.000 0.440 324 V N 1.828 121.822 119.914 0.134 0.000 2.252 324 V HA -0.303 3.817 4.120 -0.000 0.000 0.249 324 V C 2.258 178.322 176.094 -0.051 0.000 1.056 324 V CA 1.851 64.202 62.300 0.084 0.000 1.022 324 V CB -0.370 31.447 31.823 -0.009 0.000 0.641 324 V HN 0.320 nan 8.190 nan 0.000 0.445 325 L N -0.251 120.829 121.223 -0.238 0.000 2.056 325 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 325 L C 2.389 179.233 176.870 -0.042 0.000 1.078 325 L CA 1.949 56.484 54.840 -0.507 0.000 0.749 325 L CB -0.692 40.505 42.059 -1.437 0.000 0.901 325 L HN 0.387 nan 8.230 nan 0.000 0.433 326 D N 0.456 120.950 120.400 0.157 0.000 2.123 326 D HA -0.197 4.443 4.640 -0.000 0.000 0.196 326 D C 2.138 178.574 176.300 0.227 0.000 0.992 326 D CA 1.395 55.592 54.000 0.327 0.000 0.833 326 D CB 0.051 40.978 40.800 0.212 0.000 0.954 326 D HN 0.261 nan 8.370 nan 0.000 0.455 327 I N -0.042 120.623 120.570 0.157 0.000 2.163 327 I HA -0.222 3.947 4.170 -0.000 0.000 0.240 327 I C 2.476 178.725 176.117 0.221 0.000 1.081 327 I CA 0.617 62.019 61.300 0.170 0.000 1.353 327 I CB -0.347 37.761 38.000 0.180 0.000 1.054 327 I HN 0.106 nan 8.210 nan 0.000 0.407 328 L N 0.705 122.046 121.223 0.197 0.000 2.042 328 L HA -0.178 4.161 4.340 -0.000 0.000 0.210 328 L C 2.727 179.818 176.870 0.369 0.000 1.076 328 L CA 1.812 56.806 54.840 0.257 0.000 0.749 328 L CB -1.357 40.714 42.059 0.020 0.000 0.893 328 L HN 0.359 nan 8.230 nan 0.000 0.432 329 G N 0.116 109.125 108.800 0.349 0.000 2.422 329 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 329 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 329 G C 1.503 176.566 174.900 0.271 0.000 1.146 329 G CA 0.379 45.720 45.100 0.401 0.000 0.769 329 G HN 0.339 nan 8.290 nan 0.000 0.547 330 K N -0.001 120.536 120.400 0.229 0.000 2.522 330 K HA 0.130 4.449 4.320 -0.000 0.000 0.194 330 K C 1.170 177.838 176.600 0.113 0.000 1.026 330 K CA 0.219 56.593 56.287 0.145 0.000 1.119 330 K CB 0.255 32.827 32.500 0.120 0.000 0.856 330 K HN 0.076 nan 8.250 nan 0.000 0.513 331 K N -0.453 120.041 120.400 0.156 0.000 2.538 331 K HA 0.200 4.520 4.320 -0.000 0.000 0.215 331 K C -0.513 175.842 176.600 -0.408 0.000 1.345 331 K CA 0.293 56.546 56.287 -0.057 0.000 0.985 331 K CB 0.884 33.424 32.500 0.067 0.000 1.116 331 K HN -0.066 nan 8.250 nan 0.000 0.582 332 F N 2.325 122.347 119.950 0.120 0.000 2.565 332 F HA 0.321 4.847 4.527 -0.000 0.000 0.313 332 F C -2.146 173.712 175.800 0.096 0.000 1.091 332 F CA -2.646 55.431 58.000 0.129 0.000 0.915 332 F CB 1.560 40.640 39.000 0.134 0.000 1.208 332 F HN -0.203 nan 8.300 nan 0.000 0.453 333 P HA -0.019 nan 4.420 nan 0.000 0.237 333 P C -0.451 176.918 177.300 0.116 0.000 1.149 333 P CA 0.297 63.484 63.100 0.145 0.000 1.254 333 P CB -0.294 31.492 31.700 0.143 0.000 1.382 334 V N 2.073 122.054 119.914 0.112 0.000 2.455 334 V HA 0.302 4.422 4.120 -0.000 0.000 0.273 334 V C 1.034 177.153 176.094 0.043 0.000 1.045 334 V CA -0.551 61.804 62.300 0.092 0.000 0.976 334 V CB 0.376 32.262 31.823 0.106 0.000 0.993 334 V HN 0.545 nan 8.190 nan 0.000 0.475 335 S N 3.043 118.764 115.700 0.035 0.000 2.623 335 S HA 0.603 5.073 4.470 -0.000 0.000 0.278 335 S C -0.196 174.411 174.600 0.011 0.000 1.148 335 S CA -0.584 57.629 58.200 0.021 0.000 1.028 335 S CB 1.406 64.619 63.200 0.022 0.000 1.145 335 S HN 0.943 nan 8.310 nan 0.000 0.523 336 E N 0.667 120.875 120.200 0.012 0.000 2.283 336 E HA 0.238 4.587 4.350 -0.000 0.000 0.258 336 E C -0.600 176.022 176.600 0.036 0.000 0.893 336 E CA -0.599 55.808 56.400 0.012 0.000 0.798 336 E CB 0.723 30.413 29.700 -0.016 0.000 1.242 336 E HN 0.818 nan 8.360 nan 0.000 0.414 337 N N 2.057 120.797 118.700 0.067 0.000 2.288 337 N HA 0.014 4.753 4.740 -0.000 0.000 0.237 337 N C 0.744 176.297 175.510 0.072 0.000 1.311 337 N CA -0.264 52.827 53.050 0.068 0.000 0.909 337 N CB 0.746 39.280 38.487 0.079 0.000 1.167 337 N HN 0.231 nan 8.380 nan 0.000 0.476 338 S N 0.626 116.360 115.700 0.058 0.000 2.380 338 S HA -0.216 4.253 4.470 -0.000 0.000 0.229 338 S C 1.369 176.015 174.600 0.077 0.000 1.050 338 S CA 1.439 59.670 58.200 0.053 0.000 1.100 338 S CB -0.382 62.842 63.200 0.040 0.000 0.984 338 S HN 0.576 nan 8.310 nan 0.000 0.434 339 K N 0.712 121.182 120.400 0.117 0.000 2.574 339 K HA 0.085 4.404 4.320 -0.000 0.000 0.193 339 K C 1.206 177.960 176.600 0.258 0.000 1.035 339 K CA 0.526 56.924 56.287 0.184 0.000 0.982 339 K CB -0.297 32.314 32.500 0.185 0.000 0.795 339 K HN 0.581 nan 8.250 nan 0.000 0.491 340 G N 0.839 109.745 108.800 0.177 0.000 2.132 340 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.234 340 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.234 340 G C -0.529 174.354 174.900 -0.029 0.000 0.989 340 G CA -0.274 44.854 45.100 0.046 0.000 0.676 340 G HN 0.200 nan 8.290 nan 0.000 0.522 341 Y N 0.699 120.994 120.300 -0.009 0.000 2.342 341 Y HA 0.569 5.118 4.550 -0.000 0.000 0.334 341 Y C 1.048 176.933 175.900 -0.025 0.000 1.067 341 Y CA -1.037 57.056 58.100 -0.011 0.000 1.128 341 Y CB 1.045 39.539 38.460 0.056 0.000 1.200 341 Y HN 0.103 nan 8.280 nan 0.000 0.464 342 K N 2.776 123.171 120.400 -0.009 0.000 2.485 342 K HA 0.278 4.598 4.320 -0.000 0.000 0.277 342 K C -1.073 175.633 176.600 0.177 0.000 0.990 342 K CA -0.003 56.235 56.287 -0.081 0.000 0.994 342 K CB 0.286 32.436 32.500 -0.583 0.000 0.906 342 K HN 0.414 nan 8.250 nan 0.000 0.488 343 L N 3.436 124.754 121.223 0.158 0.000 2.464 343 L HA 0.371 4.711 4.340 -0.000 0.000 0.266 343 L C -1.415 175.536 176.870 0.135 0.000 0.965 343 L CA -0.549 54.398 54.840 0.177 0.000 0.833 343 L CB 1.389 43.507 42.059 0.098 0.000 1.296 343 L HN 0.528 nan 8.230 nan 0.000 0.405 344 L N 5.383 126.673 121.223 0.112 0.000 2.453 344 L HA 0.486 4.825 4.340 -0.000 0.000 0.261 344 L C -1.786 175.001 176.870 -0.140 0.000 1.179 344 L CA -1.817 53.028 54.840 0.008 0.000 0.813 344 L CB 0.139 42.152 42.059 -0.077 0.000 1.110 344 L HN 0.526 nan 8.230 nan 0.000 0.466 345 P HA -0.032 nan 4.420 nan 0.000 0.265 345 P C -2.057 174.893 177.300 -0.584 0.000 1.187 345 P CA -1.040 61.764 63.100 -0.492 0.000 0.766 345 P CB -0.072 31.098 31.700 -0.884 0.000 0.820 346 P HA -0.198 nan 4.420 nan 0.000 0.218 346 P C 1.090 178.280 177.300 -0.183 0.000 1.147 346 P CA 1.933 64.913 63.100 -0.200 0.000 0.827 346 P CB -0.552 31.105 31.700 -0.071 0.000 0.778 347 Y N -1.634 118.633 120.300 -0.055 0.000 2.490 347 Y HA 0.495 5.044 4.550 -0.000 0.000 0.281 347 Y C 0.684 176.477 175.900 -0.177 0.000 1.174 347 Y CA -1.131 56.916 58.100 -0.089 0.000 1.295 347 Y CB -0.773 37.657 38.460 -0.050 0.000 1.062 347 Y HN -0.185 nan 8.280 nan 0.000 0.522 348 L N 1.946 122.988 121.223 -0.302 0.000 2.381 348 L HA 0.696 5.035 4.340 -0.000 0.000 0.274 348 L C -1.258 175.420 176.870 -0.320 0.000 0.988 348 L CA -1.338 53.299 54.840 -0.338 0.000 0.824 348 L CB 1.436 43.176 42.059 -0.530 0.000 1.263 348 L HN 0.043 nan 8.230 nan 0.000 0.410 349 R N 3.192 123.507 120.500 -0.309 0.000 2.799 349 R HA 0.762 5.101 4.340 -0.000 0.000 0.270 349 R C -1.602 174.514 176.300 -0.307 0.000 1.010 349 R CA -0.784 55.154 56.100 -0.270 0.000 0.916 349 R CB 2.295 32.471 30.300 -0.207 0.000 1.228 349 R HN 0.433 nan 8.270 nan 0.000 0.469 350 V N 2.052 121.790 119.914 -0.294 0.000 2.715 350 V HA 0.608 4.727 4.120 -0.000 0.000 0.310 350 V C -0.164 175.739 176.094 -0.319 0.000 1.054 350 V CA -0.888 61.227 62.300 -0.309 0.000 0.928 350 V CB 2.358 33.990 31.823 -0.319 0.000 1.007 350 V HN 0.663 nan 8.190 nan 0.000 0.437 351 I N 2.830 123.222 120.570 -0.297 0.000 2.500 351 I HA 0.432 4.601 4.170 -0.000 0.000 0.286 351 I C -0.740 175.224 176.117 -0.255 0.000 1.063 351 I CA -0.616 60.502 61.300 -0.303 0.000 1.062 351 I CB 1.789 39.672 38.000 -0.196 0.000 1.223 351 I HN 0.727 nan 8.210 nan 0.000 0.435 352 Q N 5.409 124.993 119.800 -0.360 0.000 2.344 352 Q HA 0.401 4.740 4.340 -0.000 0.000 0.253 352 Q C 0.444 176.422 176.000 -0.037 0.000 1.050 352 Q CA 0.223 55.921 55.803 -0.176 0.000 0.912 352 Q CB 1.351 29.998 28.738 -0.152 0.000 1.258 352 Q HN 0.763 nan 8.270 nan 0.000 0.443 353 G N 3.593 112.424 108.800 0.052 0.000 3.393 353 G HA2 0.067 4.027 3.960 -0.000 0.000 0.255 353 G HA3 0.067 4.027 3.960 -0.000 0.000 0.255 353 G C -0.467 174.541 174.900 0.180 0.000 1.097 353 G CA -0.078 45.139 45.100 0.196 0.000 0.780 353 G HN 0.638 nan 8.290 nan 0.000 0.540 354 D N -0.785 119.681 120.400 0.109 0.000 2.819 354 D HA 0.414 5.053 4.640 -0.000 0.000 0.232 354 D C 0.858 177.204 176.300 0.077 0.000 1.160 354 D CA 0.006 54.064 54.000 0.095 0.000 0.858 354 D CB 1.679 42.526 40.800 0.079 0.000 1.610 354 D HN 0.292 nan 8.370 nan 0.000 0.481 355 G N 1.786 110.626 108.800 0.066 0.000 2.179 355 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.257 355 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.257 355 G C 0.079 175.007 174.900 0.047 0.000 1.010 355 G CA 0.504 45.635 45.100 0.052 0.000 0.736 355 G HN 0.480 nan 8.290 nan 0.000 0.513 356 V N 1.419 121.362 119.914 0.048 0.000 2.370 356 V HA 0.657 4.777 4.120 -0.000 0.000 0.279 356 V C 0.101 176.185 176.094 -0.015 0.000 1.029 356 V CA 0.107 62.419 62.300 0.021 0.000 0.870 356 V CB 1.544 33.404 31.823 0.062 0.000 0.984 356 V HN 0.653 nan 8.190 nan 0.000 0.451 357 D N 3.080 123.459 120.400 -0.035 0.000 2.626 357 D HA 0.289 4.929 4.640 -0.000 0.000 0.278 357 D C 0.697 176.972 176.300 -0.040 0.000 1.211 357 D CA -0.820 53.166 54.000 -0.022 0.000 0.903 357 D CB 1.242 42.050 40.800 0.014 0.000 1.408 357 D HN 0.274 nan 8.370 nan 0.000 0.454 358 I N 0.891 121.461 120.570 0.001 0.000 2.091 358 I HA -0.348 3.821 4.170 -0.000 0.000 0.240 358 I C 1.284 177.392 176.117 -0.015 0.000 1.046 358 I CA 2.121 63.431 61.300 0.015 0.000 1.306 358 I CB -0.587 37.483 38.000 0.116 0.000 1.018 358 I HN 0.426 nan 8.210 nan 0.000 0.404 359 N N 0.083 118.783 118.700 0.000 0.000 2.025 359 N HA -0.165 4.574 4.740 -0.000 0.000 0.194 359 N C 1.889 177.374 175.510 -0.043 0.000 1.044 359 N CA 2.316 55.356 53.050 -0.016 0.000 0.851 359 N CB -1.112 37.373 38.487 -0.003 0.000 1.036 359 N HN 0.467 nan 8.380 nan 0.000 0.422 360 T N 2.294 116.823 114.554 -0.042 0.000 2.684 360 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 360 T C 2.029 176.656 174.700 -0.121 0.000 1.036 360 T CA 0.748 62.816 62.100 -0.053 0.000 1.148 360 T CB -0.526 68.326 68.868 -0.027 0.000 0.863 360 T HN 0.073 nan 8.240 nan 0.000 0.436 361 L N 1.440 122.546 121.223 -0.195 0.000 1.997 361 L HA -0.224 4.116 4.340 -0.000 0.000 0.216 361 L C 2.618 179.270 176.870 -0.363 0.000 1.074 361 L CA 2.161 56.760 54.840 -0.401 0.000 0.763 361 L CB -0.949 40.856 42.059 -0.424 0.000 0.890 361 L HN 0.218 nan 8.230 nan 0.000 0.434 362 Q N -0.160 119.495 119.800 -0.241 0.000 2.112 362 Q HA -0.278 4.061 4.340 -0.000 0.000 0.206 362 Q C 2.067 177.948 176.000 -0.198 0.000 0.987 362 Q CA 2.443 58.116 55.803 -0.217 0.000 0.858 362 Q CB -0.303 28.378 28.738 -0.095 0.000 0.905 362 Q HN 0.673 nan 8.270 nan 0.000 0.420 363 E N -0.413 119.715 120.200 -0.120 0.000 2.106 363 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 363 E C 1.958 178.522 176.600 -0.059 0.000 0.984 363 E CA 1.344 57.707 56.400 -0.063 0.000 0.806 363 E CB -0.119 29.566 29.700 -0.026 0.000 0.750 363 E HN 0.466 nan 8.360 nan 0.000 0.458 364 I N 0.048 120.570 120.570 -0.081 0.000 2.110 364 I HA -0.236 3.934 4.170 -0.000 0.000 0.236 364 I C 2.353 178.451 176.117 -0.032 0.000 1.068 364 I CA 0.688 61.982 61.300 -0.010 0.000 1.333 364 I CB -0.356 37.687 38.000 0.071 0.000 1.054 364 I HN -0.006 nan 8.210 nan 0.000 0.402 365 V N 0.729 120.535 119.914 -0.180 0.000 2.546 365 V HA -0.268 3.852 4.120 -0.000 0.000 0.254 365 V C 2.538 178.412 176.094 -0.368 0.000 1.076 365 V CA 1.840 63.966 62.300 -0.290 0.000 1.087 365 V CB -0.511 30.960 31.823 -0.586 0.000 0.674 365 V HN 0.406 nan 8.190 nan 0.000 0.470 366 E N -0.099 119.918 120.200 -0.306 0.000 2.086 366 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 366 E C 2.239 178.915 176.600 0.127 0.000 0.975 366 E CA 1.176 57.576 56.400 0.000 0.000 0.813 366 E CB -0.431 29.288 29.700 0.032 0.000 0.768 366 E HN 0.587 nan 8.360 nan 0.000 0.457 367 G N 0.686 109.532 108.800 0.077 0.000 2.448 367 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 367 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 367 G C 1.680 176.690 174.900 0.183 0.000 1.127 367 G CA 0.643 45.813 45.100 0.118 0.000 0.766 367 G HN 0.172 nan 8.290 nan 0.000 0.552 368 M N -0.113 119.600 119.600 0.189 0.000 2.156 368 M HA 0.040 4.520 4.480 -0.000 0.000 0.264 368 M C 2.505 179.042 176.300 0.395 0.000 1.067 368 M CA 1.285 56.761 55.300 0.294 0.000 1.131 368 M CB -0.240 32.499 32.600 0.232 0.000 1.368 368 M HN 0.179 nan 8.290 nan 0.000 0.416 369 K N 0.665 121.288 120.400 0.372 0.000 1.985 369 K HA -0.196 4.123 4.320 -0.000 0.000 0.210 369 K C 1.931 178.733 176.600 0.336 0.000 1.047 369 K CA 1.602 58.184 56.287 0.491 0.000 0.932 369 K CB -0.121 32.697 32.500 0.529 0.000 0.716 369 K HN 0.372 nan 8.250 nan 0.000 0.439 370 Q N 0.222 120.170 119.800 0.246 0.000 2.133 370 Q HA -0.158 4.182 4.340 -0.000 0.000 0.208 370 Q C 1.103 177.168 176.000 0.109 0.000 0.991 370 Q CA 1.241 57.134 55.803 0.150 0.000 0.867 370 Q CB -0.040 28.776 28.738 0.130 0.000 0.911 370 Q HN 0.114 nan 8.270 nan 0.000 0.417 371 K N 1.224 121.725 120.400 0.169 0.000 2.627 371 K HA 0.066 4.386 4.320 -0.000 0.000 0.212 371 K C -0.463 176.142 176.600 0.007 0.000 1.041 371 K CA 0.030 56.399 56.287 0.136 0.000 1.205 371 K CB -0.011 32.671 32.500 0.304 0.000 0.936 371 K HN 0.196 nan 8.250 nan 0.000 0.489 372 K N -0.122 120.262 120.400 -0.028 0.000 3.490 372 K HA -0.216 4.103 4.320 -0.000 0.000 0.273 372 K C -0.791 175.750 176.600 -0.098 0.000 0.916 372 K CA 0.686 56.843 56.287 -0.218 0.000 0.718 372 K CB -1.385 30.887 32.500 -0.379 0.000 1.477 372 K HN 0.263 nan 8.250 nan 0.000 0.452 373 W N -0.180 121.275 121.300 0.258 0.000 2.844 373 W HA 0.333 4.992 4.660 -0.001 0.000 0.340 373 W C 0.282 176.978 176.519 0.294 0.000 1.093 373 W CA -0.979 56.498 57.345 0.220 0.000 1.212 373 W CB 1.987 31.527 29.460 0.134 0.000 1.422 373 W HN 0.109 nan 8.180 nan 0.000 0.515 374 S N 2.709 118.723 115.700 0.524 0.000 2.554 374 S HA 0.238 4.707 4.470 -0.000 0.000 0.278 374 S C 0.883 175.593 174.600 0.183 0.000 1.242 374 S CA -0.633 57.728 58.200 0.268 0.000 1.051 374 S CB 0.485 63.799 63.200 0.190 0.000 0.986 374 S HN 0.422 nan 8.310 nan 0.000 0.502 375 I N 3.978 124.622 120.570 0.123 0.000 3.241 375 I HA -0.014 4.156 4.170 -0.000 0.000 0.280 375 I C 1.698 177.866 176.117 0.086 0.000 1.320 375 I CA 0.902 62.279 61.300 0.128 0.000 1.413 375 I CB -1.679 36.408 38.000 0.146 0.000 1.060 375 I HN 0.744 nan 8.210 nan 0.000 0.500 376 E N 0.902 121.142 120.200 0.067 0.000 2.170 376 E HA -0.089 4.260 4.350 -0.000 0.000 0.191 376 E C 1.674 178.274 176.600 -0.000 0.000 0.981 376 E CA 0.393 56.816 56.400 0.038 0.000 0.830 376 E CB 0.054 29.778 29.700 0.039 0.000 0.775 376 E HN 0.509 nan 8.360 nan 0.000 0.470 377 N N 0.522 119.224 118.700 0.005 0.000 2.244 377 N HA -0.069 4.671 4.740 -0.000 0.000 0.183 377 N C 0.391 175.805 175.510 -0.160 0.000 1.016 377 N CA 0.744 53.751 53.050 -0.072 0.000 0.866 377 N CB 0.368 38.817 38.487 -0.063 0.000 0.980 377 N HN -0.037 nan 8.380 nan 0.000 0.430 378 V N 0.273 120.092 119.914 -0.159 0.000 2.960 378 V HA 0.467 4.586 4.120 -0.000 0.000 0.315 378 V C -0.093 175.814 176.094 -0.311 0.000 1.087 378 V CA -0.828 61.284 62.300 -0.314 0.000 0.982 378 V CB 2.074 33.621 31.823 -0.458 0.000 1.039 378 V HN 0.182 nan 8.190 nan 0.000 0.437 379 S N 1.376 116.790 115.700 -0.476 0.000 2.599 379 S HA 0.876 5.346 4.470 -0.000 0.000 0.287 379 S C -1.307 172.912 174.600 -0.635 0.000 1.105 379 S CA -0.645 57.376 58.200 -0.299 0.000 0.899 379 S CB 1.869 65.003 63.200 -0.111 0.000 1.100 379 S HN 0.308 nan 8.310 nan 0.000 0.482 380 F N 0.079 119.959 119.950 -0.116 0.000 2.538 380 F HA 0.774 5.301 4.527 -0.000 0.000 0.325 380 F C 0.814 176.434 175.800 -0.299 0.000 1.066 380 F CA -0.587 57.312 58.000 -0.169 0.000 0.946 380 F CB 2.239 41.142 39.000 -0.161 0.000 1.199 380 F HN 0.944 nan 8.300 nan 0.000 0.473 381 G N 0.661 109.343 108.800 -0.196 0.000 2.605 381 G HA2 0.473 4.433 3.960 -0.000 0.000 0.304 381 G HA3 0.473 4.433 3.960 -0.000 0.000 0.304 381 G C -1.393 173.281 174.900 -0.376 0.000 1.333 381 G CA -0.508 44.164 45.100 -0.712 0.000 0.973 381 G HN 0.588 nan 8.290 nan 0.000 0.507 382 S N 1.130 116.586 115.700 -0.405 0.000 2.501 382 S HA 0.819 5.289 4.470 -0.000 0.000 0.301 382 S C 0.854 175.371 174.600 -0.138 0.000 1.096 382 S CA 0.163 58.258 58.200 -0.175 0.000 1.063 382 S CB 1.647 64.754 63.200 -0.155 0.000 1.042 382 S HN 0.823 nan 8.310 nan 0.000 0.494 383 G N 2.561 111.369 108.800 0.012 0.000 2.449 383 G HA2 0.312 4.271 3.960 -0.000 0.000 0.192 383 G HA3 0.312 4.271 3.960 -0.000 0.000 0.192 383 G C 1.071 176.011 174.900 0.067 0.000 1.776 383 G CA 0.350 45.500 45.100 0.084 0.000 0.699 383 G HN 0.900 nan 8.290 nan 0.000 0.745 384 G N 0.668 109.518 108.800 0.083 0.000 2.679 384 G HA2 0.294 4.254 3.960 -0.000 0.000 0.212 384 G HA3 0.294 4.254 3.960 -0.000 0.000 0.212 384 G C 1.425 176.372 174.900 0.078 0.000 1.137 384 G CA 1.576 46.726 45.100 0.083 0.000 0.787 384 G HN 0.765 nan 8.290 nan 0.000 0.534 385 A N -0.341 122.514 122.820 0.058 0.000 2.115 385 A HA 0.452 4.771 4.320 -0.000 0.000 0.211 385 A C 1.997 179.608 177.584 0.044 0.000 1.169 385 A CA 0.268 52.339 52.037 0.056 0.000 0.787 385 A CB -0.026 18.998 19.000 0.040 0.000 0.858 385 A HN 0.342 nan 8.150 nan 0.000 0.474 386 L N -0.573 120.659 121.223 0.014 0.000 2.062 386 L HA 0.074 4.413 4.340 -0.000 0.000 0.202 386 L C 2.211 179.086 176.870 0.009 0.000 1.079 386 L CA 1.018 55.849 54.840 -0.015 0.000 0.755 386 L CB -0.310 41.687 42.059 -0.102 0.000 0.913 386 L HN 0.345 nan 8.230 nan 0.000 0.445 387 L N -0.366 120.876 121.223 0.031 0.000 2.013 387 L HA -0.065 4.275 4.340 -0.000 0.000 0.204 387 L C 1.351 178.373 176.870 0.253 0.000 1.081 387 L CA 0.513 55.417 54.840 0.107 0.000 0.751 387 L CB -0.591 41.534 42.059 0.110 0.000 0.901 387 L HN 0.339 nan 8.230 nan 0.000 0.440 388 Q N 0.117 120.034 119.800 0.194 0.000 2.316 388 Q HA 0.064 4.403 4.340 -0.000 0.000 0.215 388 Q C 0.040 176.151 176.000 0.185 0.000 1.020 388 Q CA -0.062 55.859 55.803 0.197 0.000 0.970 388 Q CB 0.692 29.504 28.738 0.124 0.000 1.187 388 Q HN -0.005 nan 8.270 nan 0.000 0.546 389 K N 0.233 120.746 120.400 0.187 0.000 3.338 389 K HA -0.094 4.226 4.320 -0.000 0.000 0.281 389 K C -1.770 174.954 176.600 0.205 0.000 1.286 389 K CA 0.490 56.874 56.287 0.163 0.000 0.824 389 K CB -1.700 30.872 32.500 0.119 0.000 1.480 389 K HN 0.624 nan 8.250 nan 0.000 0.522 390 L N 1.001 122.412 121.223 0.314 0.000 2.436 390 L HA 0.499 4.838 4.340 -0.000 0.000 0.268 390 L C 0.433 177.620 176.870 0.528 0.000 0.974 390 L CA -0.760 54.318 54.840 0.397 0.000 0.826 390 L CB 2.183 44.500 42.059 0.430 0.000 1.291 390 L HN 0.207 nan 8.230 nan 0.000 0.406 391 T N -2.228 112.466 114.554 0.233 0.000 2.912 391 T HA 0.369 4.719 4.350 -0.000 0.000 0.288 391 T C 0.704 175.028 174.700 -0.626 0.000 1.030 391 T CA -0.856 61.115 62.100 -0.216 0.000 1.020 391 T CB 2.300 71.090 68.868 -0.130 0.000 1.056 391 T HN 0.636 nan 8.240 nan 0.000 0.480 392 R N 0.687 120.290 120.500 -1.496 0.000 2.211 392 R HA -0.151 4.189 4.340 -0.000 0.000 0.240 392 R C 1.299 177.387 176.300 -0.353 0.000 1.144 392 R CA 1.807 57.235 56.100 -1.120 0.000 0.992 392 R CB -0.472 29.093 30.300 -1.226 0.000 0.869 392 R HN 0.732 nan 8.270 nan 0.000 0.462 393 D N 0.485 120.716 120.400 -0.282 0.000 2.106 393 D HA -0.221 4.419 4.640 -0.000 0.000 0.191 393 D C 1.702 177.996 176.300 -0.010 0.000 0.997 393 D CA 1.302 55.234 54.000 -0.113 0.000 0.834 393 D CB -0.126 40.626 40.800 -0.079 0.000 0.956 393 D HN 0.109 nan 8.370 nan 0.000 0.448 394 L N 0.965 122.219 121.223 0.050 0.000 1.967 394 L HA -0.219 4.121 4.340 -0.000 0.000 0.240 394 L C 2.291 179.264 176.870 0.172 0.000 1.091 394 L CA 1.433 56.372 54.840 0.166 0.000 0.836 394 L CB -1.152 41.038 42.059 0.218 0.000 0.912 394 L HN 0.077 nan 8.230 nan 0.000 0.433 395 L N 0.288 121.617 121.223 0.176 0.000 2.834 395 L HA -0.099 4.241 4.340 -0.000 0.000 0.252 395 L C 0.554 177.488 176.870 0.108 0.000 1.152 395 L CA 0.352 55.287 54.840 0.158 0.000 0.898 395 L CB -1.440 40.716 42.059 0.161 0.000 1.078 395 L HN 0.547 nan 8.230 nan 0.000 0.439 396 N N -0.389 118.349 118.700 0.063 0.000 2.707 396 N HA -0.189 4.551 4.740 -0.000 0.000 0.253 396 N C -0.042 175.435 175.510 -0.056 0.000 0.998 396 N CA -0.176 52.872 53.050 -0.004 0.000 0.751 396 N CB -0.609 37.877 38.487 -0.002 0.000 0.920 396 N HN 0.406 nan 8.380 nan 0.000 0.539 397 C N 0.808 120.104 119.300 -0.007 0.000 2.657 397 C HA 0.292 4.752 4.460 -0.000 0.000 0.404 397 C C 1.024 175.814 174.990 -0.333 0.000 1.369 397 C CA -0.151 58.799 59.018 -0.114 0.000 1.665 397 C CB -0.003 28.012 27.740 0.458 0.000 2.453 397 C HN 0.342 nan 8.230 nan 0.000 0.599 398 S N 2.650 117.925 115.700 -0.708 0.000 2.547 398 S HA 0.686 5.156 4.470 -0.000 0.000 0.281 398 S C -1.086 173.135 174.600 -0.632 0.000 1.118 398 S CA -0.450 57.469 58.200 -0.468 0.000 0.947 398 S CB 0.804 63.843 63.200 -0.269 0.000 1.053 398 S HN 0.587 nan 8.310 nan 0.000 0.482 399 F N 5.186 124.903 119.950 -0.387 0.000 2.411 399 F HA 0.706 5.233 4.527 -0.000 0.000 0.352 399 F C -0.147 175.467 175.800 -0.310 0.000 1.123 399 F CA -0.294 57.540 58.000 -0.277 0.000 1.044 399 F CB 0.602 39.670 39.000 0.114 0.000 1.135 399 F HN 0.381 nan 8.300 nan 0.000 0.461 400 K N 5.148 125.005 120.400 -0.905 0.000 2.512 400 K HA 0.328 4.648 4.320 -0.000 0.000 0.263 400 K C -1.618 174.664 176.600 -0.531 0.000 0.966 400 K CA -0.685 55.273 56.287 -0.548 0.000 0.851 400 K CB 2.037 34.315 32.500 -0.370 0.000 1.395 400 K HN 0.751 nan 8.250 nan 0.000 0.440 401 C N 1.967 121.191 119.300 -0.127 0.000 2.435 401 C HA 0.377 4.837 4.460 -0.000 0.000 0.375 401 C C 1.468 176.578 174.990 0.200 0.000 1.281 401 C CA 0.199 59.240 59.018 0.037 0.000 1.963 401 C CB -0.859 26.952 27.740 0.118 0.000 2.490 401 C HN 0.816 nan 8.230 nan 0.000 0.557 402 S N 3.295 119.194 115.700 0.332 0.000 2.687 402 S HA 0.239 4.708 4.470 -0.000 0.000 0.247 402 S C -0.412 174.456 174.600 0.447 0.000 1.050 402 S CA -0.158 58.283 58.200 0.402 0.000 1.063 402 S CB 0.079 63.523 63.200 0.408 0.000 1.039 402 S HN 0.919 nan 8.310 nan 0.000 0.580 403 Y N 0.507 120.993 120.300 0.311 0.000 2.482 403 Y HA 0.691 5.241 4.550 -0.001 0.000 0.334 403 Y C -1.645 174.354 175.900 0.164 0.000 1.091 403 Y CA -0.991 57.224 58.100 0.191 0.000 1.027 403 Y CB 1.852 40.349 38.460 0.061 0.000 1.306 403 Y HN 0.039 nan 8.280 nan 0.000 0.446 404 V N 5.351 125.008 119.914 -0.428 0.000 3.087 404 V HA 0.655 4.774 4.120 -0.000 0.000 0.306 404 V C -1.449 174.299 176.094 -0.576 0.000 1.187 404 V CA -0.938 61.133 62.300 -0.383 0.000 0.999 404 V CB 2.441 34.169 31.823 -0.157 0.000 1.049 404 V HN 0.563 nan 8.190 nan 0.000 0.431 405 V N 2.106 121.786 119.914 -0.391 0.000 2.443 405 V HA 0.600 4.719 4.120 -0.000 0.000 0.293 405 V C -0.372 175.613 176.094 -0.182 0.000 1.021 405 V CA -0.250 61.871 62.300 -0.298 0.000 0.848 405 V CB 2.135 33.811 31.823 -0.244 0.000 0.998 405 V HN 0.982 nan 8.190 nan 0.000 0.424 406 T N 4.622 119.093 114.554 -0.139 0.000 2.840 406 T HA 0.412 4.761 4.350 -0.000 0.000 0.287 406 T C 0.117 174.772 174.700 -0.076 0.000 0.991 406 T CA -0.515 61.520 62.100 -0.108 0.000 0.964 406 T CB 0.804 69.622 68.868 -0.084 0.000 0.954 406 T HN 0.729 nan 8.240 nan 0.000 0.438 407 N N 1.857 120.515 118.700 -0.070 0.000 2.754 407 N HA -0.212 4.527 4.740 -0.000 0.000 0.248 407 N C 1.102 176.589 175.510 -0.037 0.000 1.093 407 N CA 1.249 54.270 53.050 -0.047 0.000 0.699 407 N CB -1.591 36.875 38.487 -0.035 0.000 1.016 407 N HN 1.372 nan 8.380 nan 0.000 0.552 408 G N -1.327 107.447 108.800 -0.043 0.000 2.189 408 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.267 408 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.267 408 G C -0.028 174.858 174.900 -0.024 0.000 0.975 408 G CA 0.650 45.733 45.100 -0.027 0.000 0.644 408 G HN 0.720 nan 8.290 nan 0.000 0.537 409 L N 1.671 122.870 121.223 -0.040 0.000 2.257 409 L HA 0.780 5.119 4.340 -0.000 0.000 0.290 409 L C 0.706 177.537 176.870 -0.066 0.000 1.044 409 L CA -0.372 54.450 54.840 -0.031 0.000 0.810 409 L CB 0.853 42.897 42.059 -0.025 0.000 1.193 409 L HN 0.402 nan 8.230 nan 0.000 0.425 410 G N 4.903 113.689 108.800 -0.023 0.000 2.403 410 G HA2 0.521 4.480 3.960 -0.000 0.000 0.259 410 G HA3 0.521 4.480 3.960 -0.000 0.000 0.259 410 G C -0.682 174.217 174.900 -0.000 0.000 1.244 410 G CA 0.060 45.123 45.100 -0.061 0.000 0.849 410 G HN 1.113 nan 8.290 nan 0.000 0.532 411 V N 0.034 119.885 119.914 -0.105 0.000 2.656 411 V HA 0.543 4.662 4.120 -0.000 0.000 0.307 411 V C -0.764 175.426 176.094 0.161 0.000 1.051 411 V CA -1.688 60.634 62.300 0.038 0.000 0.893 411 V CB 2.063 33.886 31.823 0.000 0.000 0.999 411 V HN 0.460 nan 8.190 nan 0.000 0.426 412 N N 3.238 122.064 118.700 0.210 0.000 2.439 412 N HA 0.497 5.237 4.740 -0.000 0.000 0.243 412 N C -0.313 175.383 175.510 0.310 0.000 1.088 412 N CA 0.028 53.229 53.050 0.251 0.000 0.940 412 N CB 1.292 39.872 38.487 0.155 0.000 1.180 412 N HN 0.690 nan 8.380 nan 0.000 0.505 413 V N 3.190 123.296 119.914 0.320 0.000 2.973 413 V HA 0.713 4.833 4.120 -0.000 0.000 0.314 413 V C -0.208 176.173 176.094 0.478 0.000 1.066 413 V CA -0.291 62.195 62.300 0.311 0.000 1.021 413 V CB 0.712 32.643 31.823 0.180 0.000 1.076 413 V HN 0.651 nan 8.190 nan 0.000 0.462 414 F N 0.355 120.360 119.950 0.091 0.000 2.919 414 F HA 0.492 5.019 4.527 -0.001 0.000 0.330 414 F C -1.369 174.470 175.800 0.065 0.000 1.136 414 F CA -1.601 56.451 58.000 0.088 0.000 0.901 414 F CB 1.055 40.102 39.000 0.077 0.000 1.321 414 F HN 0.462 nan 8.300 nan 0.000 0.449 415 K N 0.837 121.212 120.400 -0.041 0.000 2.270 415 K HA 0.664 4.984 4.320 -0.000 0.000 0.255 415 K C -1.833 174.813 176.600 0.076 0.000 0.936 415 K CA -0.725 55.491 56.287 -0.118 0.000 0.809 415 K CB 2.383 34.866 32.500 -0.029 0.000 1.131 415 K HN 0.669 nan 8.250 nan 0.000 0.427 416 D N 3.592 124.014 120.400 0.038 0.000 2.735 416 D HA 0.183 4.823 4.640 -0.000 0.000 0.291 416 D C -2.280 174.059 176.300 0.065 0.000 1.205 416 D CA -1.538 52.551 54.000 0.149 0.000 0.777 416 D CB 0.855 41.848 40.800 0.321 0.000 1.234 416 D HN 0.466 nan 8.370 nan 0.000 0.520 417 P HA 0.027 nan 4.420 nan 0.000 0.261 417 P C 0.076 177.390 177.300 0.023 0.000 1.203 417 P CA -0.228 62.881 63.100 0.016 0.000 0.767 417 P CB 0.867 32.572 31.700 0.009 0.000 0.785 418 V N 3.281 123.207 119.914 0.019 0.000 2.485 418 V HA 0.289 4.409 4.120 -0.000 0.000 0.287 418 V C 1.372 177.473 176.094 0.012 0.000 1.022 418 V CA 1.395 63.706 62.300 0.019 0.000 1.067 418 V CB -0.278 31.555 31.823 0.016 0.000 0.967 418 V HN 0.960 nan 8.190 nan 0.000 0.479 419 A N 4.173 127.001 122.820 0.012 0.000 3.874 419 A HA -0.044 4.275 4.320 -0.000 0.000 0.188 419 A C 0.310 177.898 177.584 0.007 0.000 0.984 419 A CA 0.394 52.436 52.037 0.007 0.000 1.974 419 A CB -1.281 17.721 19.000 0.003 0.000 0.612 419 A HN 0.820 nan 8.150 nan 0.000 0.644 420 D N -1.109 119.298 120.400 0.011 0.000 3.117 420 D HA 0.273 4.913 4.640 -0.000 0.000 0.241 420 D C -1.730 174.582 176.300 0.020 0.000 1.385 420 D CA 0.058 54.065 54.000 0.012 0.000 0.855 420 D CB 1.094 41.897 40.800 0.006 0.000 1.498 420 D HN 0.096 nan 8.370 nan 0.000 0.584 421 P HA -0.113 nan 4.420 nan 0.000 0.220 421 P C 1.018 178.336 177.300 0.030 0.000 1.148 421 P CA 0.441 63.560 63.100 0.032 0.000 0.803 421 P CB 0.355 32.071 31.700 0.027 0.000 0.782 422 N N 0.236 118.948 118.700 0.021 0.000 2.567 422 N HA -0.088 4.651 4.740 -0.000 0.000 0.195 422 N C 0.886 176.407 175.510 0.018 0.000 1.242 422 N CA 0.540 53.601 53.050 0.017 0.000 0.884 422 N CB -0.285 38.208 38.487 0.011 0.000 1.007 422 N HN 0.213 nan 8.380 nan 0.000 0.450 423 K N 0.315 120.730 120.400 0.025 0.000 2.792 423 K HA 0.125 4.445 4.320 -0.000 0.000 0.207 423 K C 0.079 176.709 176.600 0.049 0.000 1.103 423 K CA -0.447 55.855 56.287 0.025 0.000 1.048 423 K CB 0.573 33.081 32.500 0.015 0.000 0.777 423 K HN 0.022 nan 8.250 nan 0.000 0.468 424 R N 0.092 120.632 120.500 0.067 0.000 2.649 424 R HA 0.187 4.527 4.340 -0.000 0.000 0.270 424 R C -0.574 175.808 176.300 0.137 0.000 1.105 424 R CA 0.084 56.253 56.100 0.115 0.000 1.193 424 R CB 1.143 31.505 30.300 0.104 0.000 1.120 424 R HN 0.094 nan 8.270 nan 0.000 0.561 425 S N 0.186 116.018 115.700 0.220 0.000 2.566 425 S HA 0.363 4.833 4.470 -0.000 0.000 0.298 425 S C -1.076 173.671 174.600 0.245 0.000 1.083 425 S CA -0.873 57.483 58.200 0.260 0.000 0.978 425 S CB 1.217 64.582 63.200 0.275 0.000 1.073 425 S HN 0.532 nan 8.310 nan 0.000 0.491 426 K N 2.100 122.638 120.400 0.230 0.000 2.237 426 K HA 0.303 4.623 4.320 -0.000 0.000 0.270 426 K C -0.297 176.358 176.600 0.092 0.000 1.015 426 K CA -0.383 55.895 56.287 -0.014 0.000 0.949 426 K CB 0.647 32.885 32.500 -0.436 0.000 0.976 426 K HN 0.613 nan 8.250 nan 0.000 0.472 427 K N 0.513 120.909 120.400 -0.008 0.000 2.259 427 K HA 0.650 4.970 4.320 -0.000 0.000 0.249 427 K C 0.002 176.624 176.600 0.037 0.000 0.942 427 K CA -0.855 55.470 56.287 0.063 0.000 0.816 427 K CB 1.682 34.124 32.500 -0.097 0.000 1.155 427 K HN 0.674 nan 8.250 nan 0.000 0.428 428 G N 1.536 110.418 108.800 0.137 0.000 2.828 428 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.463 428 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.463 428 G C -0.946 173.941 174.900 -0.023 0.000 1.394 428 G CA -0.831 44.306 45.100 0.060 0.000 0.862 428 G HN 0.719 nan 8.290 nan 0.000 0.540 429 R N -0.794 119.476 120.500 -0.383 0.000 2.643 429 R HA 0.474 4.814 4.340 -0.000 0.000 0.270 429 R C 0.371 176.586 176.300 -0.143 0.000 1.061 429 R CA 0.033 55.821 56.100 -0.519 0.000 1.107 429 R CB 0.286 30.039 30.300 -0.911 0.000 0.999 429 R HN 0.455 nan 8.270 nan 0.000 0.460 430 L N 0.844 122.113 121.223 0.077 0.000 2.333 430 L HA 0.514 4.853 4.340 -0.000 0.000 0.269 430 L C -0.126 176.752 176.870 0.014 0.000 1.010 430 L CA -0.836 54.004 54.840 -0.001 0.000 0.818 430 L CB 2.122 44.120 42.059 -0.102 0.000 1.306 430 L HN 0.737 nan 8.230 nan 0.000 0.430 431 S N 1.500 117.180 115.700 -0.034 0.000 2.541 431 S HA 0.615 5.085 4.470 -0.000 0.000 0.280 431 S C -0.985 173.406 174.600 -0.348 0.000 1.112 431 S CA -0.818 57.314 58.200 -0.113 0.000 0.925 431 S CB 2.063 65.314 63.200 0.085 0.000 1.067 431 S HN 0.538 nan 8.310 nan 0.000 0.479 432 L N 3.661 124.601 121.223 -0.471 0.000 2.289 432 L HA 0.576 4.916 4.340 -0.000 0.000 0.285 432 L C -0.788 175.690 176.870 -0.653 0.000 1.049 432 L CA -0.331 54.287 54.840 -0.369 0.000 0.804 432 L CB 0.677 42.673 42.059 -0.105 0.000 1.195 432 L HN 0.834 nan 8.230 nan 0.000 0.428 433 H N 3.616 122.729 119.070 0.071 0.000 2.928 433 H HA 0.347 4.903 4.556 -0.000 0.000 0.371 433 H C -1.084 174.236 175.328 -0.013 0.000 1.186 433 H CA -0.878 55.194 56.048 0.040 0.000 1.134 433 H CB 2.113 31.869 29.762 -0.009 0.000 1.824 433 H HN 0.483 nan 8.280 nan 0.000 0.554 434 R N 1.577 122.112 120.500 0.058 0.000 2.229 434 R HA 0.225 4.565 4.340 -0.000 0.000 0.328 434 R C -0.032 176.277 176.300 0.016 0.000 1.009 434 R CA -0.382 55.610 56.100 -0.180 0.000 0.864 434 R CB 0.488 30.672 30.300 -0.193 0.000 1.085 434 R HN 0.786 nan 8.270 nan 0.000 0.453 435 T N 1.797 116.357 114.554 0.011 0.000 2.802 435 T HA 0.154 4.504 4.350 -0.000 0.000 0.305 435 T C -1.339 173.382 174.700 0.035 0.000 1.053 435 T CA -1.244 60.950 62.100 0.156 0.000 1.058 435 T CB 0.826 69.766 68.868 0.119 0.000 0.988 435 T HN 0.495 nan 8.240 nan 0.000 0.539 436 P HA 0.045 nan 4.420 nan 0.000 0.228 436 P C 0.782 178.060 177.300 -0.037 0.000 1.151 436 P CA 0.702 63.770 63.100 -0.052 0.000 0.770 436 P CB -0.194 31.446 31.700 -0.099 0.000 0.786 437 A N -1.087 121.721 122.820 -0.020 0.000 2.423 437 A HA 0.576 4.896 4.320 -0.000 0.000 0.246 437 A C 1.572 179.139 177.584 -0.029 0.000 1.278 437 A CA 0.549 52.575 52.037 -0.019 0.000 0.903 437 A CB -0.546 18.452 19.000 -0.004 0.000 0.997 437 A HN 0.279 nan 8.150 nan 0.000 0.510 438 G N -0.366 108.398 108.800 -0.061 0.000 2.659 438 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.212 438 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.212 438 G C 1.160 175.945 174.900 -0.190 0.000 1.226 438 G CA 0.613 45.653 45.100 -0.100 0.000 0.739 438 G HN 1.454 nan 8.290 nan 0.000 0.528 439 T N -0.301 114.196 114.554 -0.095 0.000 3.244 439 T HA 0.497 4.847 4.350 -0.000 0.000 0.422 439 T C 0.444 174.979 174.700 -0.276 0.000 1.121 439 T CA 0.838 62.913 62.100 -0.042 0.000 1.112 439 T CB 0.265 69.192 68.868 0.100 0.000 1.369 439 T HN 0.640 nan 8.240 nan 0.000 0.513 440 F N -1.023 118.947 119.950 0.035 0.000 2.561 440 F HA 0.714 5.240 4.527 -0.000 0.000 0.321 440 F C -0.033 175.766 175.800 -0.001 0.000 1.065 440 F CA -1.152 56.863 58.000 0.025 0.000 0.934 440 F CB 2.129 41.135 39.000 0.009 0.000 1.215 440 F HN 0.493 nan 8.300 nan 0.000 0.471 441 V N 1.322 121.320 119.914 0.141 0.000 2.623 441 V HA 0.537 4.657 4.120 -0.000 0.000 0.304 441 V C -0.998 175.091 176.094 -0.009 0.000 1.054 441 V CA -0.214 62.085 62.300 -0.002 0.000 0.882 441 V CB 2.094 33.794 31.823 -0.204 0.000 1.002 441 V HN 0.789 nan 8.190 nan 0.000 0.424 442 T N 8.353 122.879 114.554 -0.046 0.000 2.753 442 T HA 0.527 4.876 4.350 -0.000 0.000 0.297 442 T C -0.197 174.445 174.700 -0.097 0.000 0.981 442 T CA -0.117 61.939 62.100 -0.073 0.000 0.956 442 T CB 0.440 69.244 68.868 -0.108 0.000 0.936 442 T HN 0.504 nan 8.240 nan 0.000 0.463 443 L N 3.589 124.786 121.223 -0.044 0.000 2.350 443 L HA 0.493 4.833 4.340 -0.000 0.000 0.275 443 L C 0.789 177.606 176.870 -0.088 0.000 1.099 443 L CA -0.595 54.197 54.840 -0.080 0.000 0.808 443 L CB 0.997 43.030 42.059 -0.043 0.000 1.149 443 L HN 0.586 nan 8.230 nan 0.000 0.442 444 E N 0.901 121.035 120.200 -0.109 0.000 2.303 444 E HA 0.276 4.626 4.350 -0.000 0.000 0.254 444 E C -0.534 176.004 176.600 -0.104 0.000 0.979 444 E CA -0.832 55.499 56.400 -0.116 0.000 0.843 444 E CB 0.970 30.592 29.700 -0.129 0.000 1.245 444 E HN 0.486 nan 8.360 nan 0.000 0.413 445 E N -0.300 119.838 120.200 -0.104 0.000 2.440 445 E HA -0.278 4.072 4.350 -0.000 0.000 0.246 445 E C 0.498 177.018 176.600 -0.133 0.000 1.165 445 E CA 0.312 56.652 56.400 -0.100 0.000 0.726 445 E CB -1.859 27.796 29.700 -0.074 0.000 1.271 445 E HN 0.934 nan 8.360 nan 0.000 0.397 446 G N 0.116 108.807 108.800 -0.181 0.000 2.225 446 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.272 446 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.272 446 G C 0.781 175.616 174.900 -0.107 0.000 0.996 446 G CA 1.062 46.049 45.100 -0.188 0.000 0.710 446 G HN 0.448 nan 8.290 nan 0.000 0.522 447 K N 0.110 120.460 120.400 -0.084 0.000 2.519 447 K HA 0.021 4.341 4.320 -0.000 0.000 0.196 447 K C 2.606 179.173 176.600 -0.055 0.000 1.041 447 K CA 0.620 56.869 56.287 -0.063 0.000 0.954 447 K CB -0.285 32.178 32.500 -0.062 0.000 0.774 447 K HN 0.417 nan 8.250 nan 0.000 0.480 448 G N 1.774 110.561 108.800 -0.022 0.000 2.432 448 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 448 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 448 G C 0.995 175.887 174.900 -0.013 0.000 1.135 448 G CA 0.723 45.845 45.100 0.037 0.000 0.767 448 G HN 0.249 nan 8.290 nan 0.000 0.550 449 D N 0.775 121.161 120.400 -0.023 0.000 2.144 449 D HA -0.070 4.569 4.640 -0.000 0.000 0.199 449 D C 1.902 178.180 176.300 -0.036 0.000 0.984 449 D CA 0.420 54.405 54.000 -0.025 0.000 0.834 449 D CB -0.263 40.515 40.800 -0.036 0.000 0.955 449 D HN 0.266 nan 8.370 nan 0.000 0.465 450 L N 1.971 123.168 121.223 -0.044 0.000 3.566 450 L HA -0.016 4.323 4.340 -0.000 0.000 0.256 450 L C -0.109 176.727 176.870 -0.058 0.000 1.404 450 L CA -0.098 54.716 54.840 -0.043 0.000 1.080 450 L CB -1.273 40.766 42.059 -0.034 0.000 1.522 450 L HN -0.123 nan 8.230 nan 0.000 0.430 451 E N 1.395 121.554 120.200 -0.068 0.000 3.212 451 E HA -0.236 4.114 4.350 -0.000 0.000 0.266 451 E C 0.627 177.159 176.600 -0.114 0.000 0.836 451 E CA 0.426 56.768 56.400 -0.098 0.000 1.012 451 E CB -0.039 29.609 29.700 -0.086 0.000 0.777 451 E HN 0.565 nan 8.360 nan 0.000 0.505 452 E N 1.219 121.346 120.200 -0.121 0.000 2.564 452 E HA 0.000 4.350 4.350 -0.000 0.000 0.203 452 E C 0.010 176.451 176.600 -0.264 0.000 0.867 452 E CA 0.036 56.324 56.400 -0.187 0.000 1.250 452 E CB 0.267 29.858 29.700 -0.181 0.000 1.215 452 E HN 0.418 nan 8.360 nan 0.000 0.566 453 Y N 1.822 121.952 120.300 -0.282 0.000 2.955 453 Y HA 0.346 4.896 4.550 -0.001 0.000 0.386 453 Y C 1.045 176.832 175.900 -0.188 0.000 1.069 453 Y CA 0.295 58.253 58.100 -0.236 0.000 1.764 453 Y CB 0.167 38.480 38.460 -0.246 0.000 1.646 453 Y HN 0.198 nan 8.280 nan 0.000 0.486 454 G N 0.037 108.774 108.800 -0.105 0.000 2.575 454 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.267 454 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.267 454 G C -0.275 174.528 174.900 -0.163 0.000 1.264 454 G CA -0.402 44.586 45.100 -0.188 0.000 0.935 454 G HN 0.498 nan 8.290 nan 0.000 0.568 455 H N 0.691 119.844 119.070 0.139 0.000 2.546 455 H HA 0.421 4.977 4.556 -0.000 0.000 0.365 455 H C 0.120 175.570 175.328 0.204 0.000 1.220 455 H CA 0.247 56.381 56.048 0.143 0.000 1.386 455 H CB 0.869 30.662 29.762 0.051 0.000 1.510 455 H HN 0.594 nan 8.280 nan 0.000 0.591 456 D N 1.100 121.642 120.400 0.237 0.000 2.371 456 D HA 0.007 4.647 4.640 -0.000 0.000 0.256 456 D C 0.861 177.127 176.300 -0.056 0.000 1.193 456 D CA -0.108 53.873 54.000 -0.033 0.000 0.881 456 D CB 0.525 41.323 40.800 -0.003 0.000 1.143 456 D HN 0.375 nan 8.370 nan 0.000 0.473 457 L N 3.140 124.314 121.223 -0.081 0.000 2.552 457 L HA 0.081 4.421 4.340 -0.000 0.000 0.227 457 L C 0.638 177.516 176.870 0.013 0.000 1.146 457 L CA 0.081 54.921 54.840 0.001 0.000 0.858 457 L CB -0.333 41.817 42.059 0.151 0.000 0.969 457 L HN 0.360 nan 8.230 nan 0.000 0.451 458 L N 0.733 121.949 121.223 -0.011 0.000 2.315 458 L HA 0.161 4.501 4.340 -0.000 0.000 0.283 458 L C -0.271 176.661 176.870 0.103 0.000 1.089 458 L CA -0.399 54.498 54.840 0.096 0.000 0.833 458 L CB 0.180 42.272 42.059 0.054 0.000 1.170 458 L HN 0.128 nan 8.230 nan 0.000 0.442 459 H N 0.769 119.909 119.070 0.117 0.000 2.481 459 H HA 0.224 4.780 4.556 -0.000 0.000 0.339 459 H C 0.114 175.525 175.328 0.137 0.000 1.131 459 H CA -0.603 55.524 56.048 0.131 0.000 1.301 459 H CB 0.809 30.675 29.762 0.174 0.000 1.476 459 H HN 0.382 nan 8.280 nan 0.000 0.529 460 T N 2.366 117.060 114.554 0.232 0.000 2.799 460 T HA 0.145 4.495 4.350 -0.000 0.000 0.296 460 T C 1.371 176.190 174.700 0.198 0.000 0.947 460 T CA -0.037 62.175 62.100 0.186 0.000 1.141 460 T CB 0.035 68.981 68.868 0.129 0.000 0.891 460 T HN 0.609 nan 8.240 nan 0.000 0.533 461 V N 1.899 121.942 119.914 0.216 0.000 3.621 461 V HA 0.548 4.668 4.120 -0.000 0.000 0.263 461 V C 0.038 176.281 176.094 0.247 0.000 1.272 461 V CA 0.040 62.471 62.300 0.218 0.000 1.080 461 V CB -0.253 31.712 31.823 0.237 0.000 0.816 461 V HN 0.614 nan 8.190 nan 0.000 0.451 462 F N 0.995 120.980 119.950 0.058 0.000 2.569 462 F HA 0.820 5.347 4.527 -0.001 0.000 0.312 462 F C -0.754 175.069 175.800 0.037 0.000 1.109 462 F CA -0.781 57.239 58.000 0.033 0.000 0.919 462 F CB 1.909 40.918 39.000 0.014 0.000 1.211 462 F HN -0.236 nan 8.300 nan 0.000 0.446 463 K N 4.867 124.969 120.400 -0.496 0.000 2.619 463 K HA 0.235 4.555 4.320 -0.000 0.000 0.251 463 K C -1.044 175.302 176.600 -0.424 0.000 0.987 463 K CA -0.478 55.633 56.287 -0.293 0.000 0.844 463 K CB 1.285 33.711 32.500 -0.124 0.000 1.237 463 K HN 0.826 nan 8.250 nan 0.000 0.447 464 N N 2.012 120.529 118.700 -0.305 0.000 2.650 464 N HA -0.225 4.514 4.740 -0.000 0.000 0.272 464 N C 0.580 175.958 175.510 -0.220 0.000 1.058 464 N CA 1.558 54.467 53.050 -0.234 0.000 0.765 464 N CB -0.935 37.458 38.487 -0.157 0.000 0.902 464 N HN 1.057 nan 8.380 nan 0.000 0.551 465 G N -0.950 107.618 108.800 -0.387 0.000 2.187 465 G HA2 -0.348 3.611 3.960 -0.000 0.000 0.261 465 G HA3 -0.348 3.611 3.960 -0.000 0.000 0.261 465 G C -0.137 174.573 174.900 -0.316 0.000 1.000 465 G CA 0.909 45.867 45.100 -0.237 0.000 0.718 465 G HN 0.499 nan 8.290 nan 0.000 0.519 466 K N -0.193 119.832 120.400 -0.625 0.000 2.427 466 K HA 0.566 4.885 4.320 -0.000 0.000 0.252 466 K C -0.083 176.299 176.600 -0.364 0.000 0.931 466 K CA -0.862 55.236 56.287 -0.316 0.000 0.793 466 K CB 2.516 34.924 32.500 -0.154 0.000 1.211 466 K HN 0.082 nan 8.250 nan 0.000 0.426 467 V N 2.611 122.471 119.914 -0.090 0.000 2.470 467 V HA 0.089 4.209 4.120 -0.000 0.000 0.276 467 V C 1.320 177.408 176.094 -0.010 0.000 1.040 467 V CA 0.114 62.435 62.300 0.034 0.000 1.008 467 V CB 0.607 32.484 31.823 0.089 0.000 0.990 467 V HN 0.939 nan 8.190 nan 0.000 0.477 468 T N 0.383 114.944 114.554 0.012 0.000 3.092 468 T HA 0.359 4.709 4.350 -0.000 0.000 0.258 468 T C 0.169 174.882 174.700 0.021 0.000 1.031 468 T CA -0.414 61.690 62.100 0.006 0.000 0.925 468 T CB 0.009 68.882 68.868 0.008 0.000 1.036 468 T HN 0.434 nan 8.240 nan 0.000 0.544 469 K N 0.839 121.255 120.400 0.028 0.000 2.535 469 K HA 0.449 4.769 4.320 -0.000 0.000 0.310 469 K C -1.542 175.049 176.600 -0.015 0.000 1.178 469 K CA -0.038 56.233 56.287 -0.027 0.000 1.052 469 K CB 1.165 33.691 32.500 0.044 0.000 1.364 469 K HN 0.095 nan 8.250 nan 0.000 0.475 470 S N 2.302 117.916 115.700 -0.143 0.000 2.689 470 S HA 0.727 5.197 4.470 -0.000 0.000 0.306 470 S C -1.421 173.043 174.600 -0.226 0.000 1.104 470 S CA -0.581 57.590 58.200 -0.047 0.000 0.973 470 S CB 0.745 63.917 63.200 -0.047 0.000 1.121 470 S HN 0.386 nan 8.310 nan 0.000 0.523 471 Y N 0.901 121.238 120.300 0.062 0.000 2.361 471 Y HA 0.362 4.912 4.550 -0.001 0.000 0.328 471 Y C 0.580 176.606 175.900 0.210 0.000 1.044 471 Y CA -0.981 57.190 58.100 0.117 0.000 1.085 471 Y CB 1.290 39.830 38.460 0.134 0.000 1.194 471 Y HN 0.746 nan 8.280 nan 0.000 0.438 472 S N 1.438 117.298 115.700 0.266 0.000 2.572 472 S HA -0.022 4.447 4.470 -0.000 0.000 0.267 472 S C 0.868 175.684 174.600 0.361 0.000 1.361 472 S CA -0.340 58.028 58.200 0.279 0.000 1.009 472 S CB 0.419 63.720 63.200 0.169 0.000 0.888 472 S HN 0.639 nan 8.310 nan 0.000 0.553 473 F N 1.129 121.208 119.950 0.215 0.000 2.269 473 F HA -0.048 4.479 4.527 -0.000 0.000 0.301 473 F C 1.840 177.649 175.800 0.015 0.000 1.082 473 F CA 1.541 59.597 58.000 0.094 0.000 1.360 473 F CB -0.422 38.598 39.000 0.033 0.000 1.041 473 F HN 0.618 nan 8.300 nan 0.000 0.512 474 D N 0.111 120.582 120.400 0.119 0.000 2.178 474 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 474 D C 2.059 178.336 176.300 -0.038 0.000 0.980 474 D CA 1.254 55.265 54.000 0.017 0.000 0.842 474 D CB -0.210 40.624 40.800 0.057 0.000 0.948 474 D HN 0.491 nan 8.370 nan 0.000 0.472 475 E N 0.409 120.623 120.200 0.024 0.000 2.028 475 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 475 E C 2.414 178.985 176.600 -0.049 0.000 0.984 475 E CA 0.488 56.916 56.400 0.046 0.000 0.800 475 E CB 0.026 29.840 29.700 0.190 0.000 0.758 475 E HN 0.041 nan 8.360 nan 0.000 0.448 476 V N 1.879 121.726 119.914 -0.112 0.000 2.252 476 V HA -0.334 3.786 4.120 -0.000 0.000 0.249 476 V C 2.341 178.197 176.094 -0.397 0.000 1.056 476 V CA 2.092 64.223 62.300 -0.281 0.000 1.022 476 V CB -0.641 30.921 31.823 -0.435 0.000 0.641 476 V HN 0.231 nan 8.190 nan 0.000 0.445 477 R N -0.002 120.189 120.500 -0.514 0.000 2.094 477 R HA -0.242 4.097 4.340 -0.000 0.000 0.239 477 R C 2.465 178.603 176.300 -0.269 0.000 1.137 477 R CA 2.037 57.868 56.100 -0.449 0.000 0.943 477 R CB -0.537 29.524 30.300 -0.400 0.000 0.850 477 R HN 0.477 nan 8.270 nan 0.000 0.433 478 K N 0.671 120.962 120.400 -0.181 0.000 2.059 478 K HA -0.218 4.102 4.320 -0.000 0.000 0.212 478 K C 1.741 178.278 176.600 -0.105 0.000 1.050 478 K CA 2.021 58.241 56.287 -0.112 0.000 0.927 478 K CB -0.078 32.388 32.500 -0.057 0.000 0.714 478 K HN 0.125 nan 8.250 nan 0.000 0.447 479 N N 0.409 119.044 118.700 -0.108 0.000 2.120 479 N HA -0.142 4.597 4.740 -0.000 0.000 0.188 479 N C 1.485 176.928 175.510 -0.112 0.000 1.024 479 N CA 1.464 54.462 53.050 -0.085 0.000 0.852 479 N CB -0.419 38.016 38.487 -0.087 0.000 1.003 479 N HN 0.311 nan 8.380 nan 0.000 0.424 480 A N 0.360 123.071 122.820 -0.182 0.000 2.235 480 A HA -0.016 4.304 4.320 -0.000 0.000 0.208 480 A C 1.140 178.613 177.584 -0.186 0.000 1.172 480 A CA 0.064 51.982 52.037 -0.198 0.000 0.786 480 A CB -0.253 18.573 19.000 -0.291 0.000 0.804 480 A HN 0.164 nan 8.150 nan 0.000 0.479 481 Q N 0.014 119.715 119.800 -0.164 0.000 2.523 481 Q HA 0.258 4.597 4.340 -0.000 0.000 0.283 481 Q C 0.225 176.155 176.000 -0.117 0.000 1.140 481 Q CA 0.712 56.426 55.803 -0.149 0.000 0.981 481 Q CB 0.164 28.835 28.738 -0.112 0.000 1.310 481 Q HN 0.507 nan 8.270 nan 0.000 0.483 482 L N 1.182 122.338 121.223 -0.112 0.000 2.994 482 L HA 0.451 4.791 4.340 -0.000 0.000 0.198 482 L C 0.695 177.536 176.870 -0.048 0.000 1.530 482 L CA -0.916 53.875 54.840 -0.081 0.000 1.565 482 L CB 0.134 42.137 42.059 -0.093 0.000 2.470 482 L HN 0.848 nan 8.230 nan 0.000 0.564 483 N N 0.000 118.679 118.700 -0.035 0.000 1.763 483 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 483 N CA 0.000 53.038 53.050 -0.020 0.000 0.885 483 N CB 0.000 38.474 38.487 -0.021 0.000 1.341 483 N HN 0.000 nan 8.380 nan 0.000 0.667