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_A 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 0.000 175.807 175.800 0.012 0.000 0.967 9 F CA 0.000 58.012 58.000 0.020 0.000 1.383 9 F CB 0.000 39.016 39.000 0.027 0.000 1.145 10 N N 4.327 122.165 118.700 -1.436 0.000 2.572 10 N HA 0.282 5.022 4.740 -0.000 0.000 0.287 10 N C -0.206 174.712 175.510 -0.986 0.000 1.136 10 N CA -0.402 52.115 53.050 -0.888 0.000 0.900 10 N CB 1.215 39.418 38.487 -0.473 0.000 1.484 10 N HN 0.547 nan 8.380 nan 0.000 0.526 11 I N 2.995 123.283 120.570 -0.470 0.000 2.454 11 I HA -0.160 4.010 4.170 -0.000 0.000 0.254 11 I C 2.098 178.285 176.117 0.116 0.000 1.156 11 I CA 0.686 62.001 61.300 0.025 0.000 1.433 11 I CB -0.008 38.171 38.000 0.298 0.000 1.082 11 I HN 0.597 nan 8.210 nan 0.000 0.432 12 L N 0.118 121.222 121.223 -0.199 0.000 2.131 12 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 12 L C 1.197 178.262 176.870 0.325 0.000 1.092 12 L CA 1.460 56.178 54.840 -0.203 0.000 0.759 12 L CB -0.864 40.848 42.059 -0.580 0.000 0.903 12 L HN 0.377 nan 8.230 nan 0.000 0.435 13 L N -3.901 117.360 121.223 0.064 0.000 2.999 13 L HA 0.583 4.923 4.340 -0.000 0.000 0.263 13 L C 0.471 177.365 176.870 0.039 0.000 1.320 13 L CA 0.034 54.944 54.840 0.117 0.000 0.913 13 L CB 0.285 42.213 42.059 -0.219 0.000 1.296 13 L HN -0.091 nan 8.230 nan 0.000 0.546 14 A N -1.427 121.465 122.820 0.121 0.000 2.603 14 A HA 0.554 4.874 4.320 -0.000 0.000 0.277 14 A C 0.573 178.205 177.584 0.079 0.000 1.158 14 A CA 0.184 52.298 52.037 0.130 0.000 0.962 14 A CB 0.348 19.513 19.000 0.275 0.000 1.189 14 A HN 0.403 nan 8.150 nan 0.000 0.552 15 T N -0.372 114.158 114.554 -0.040 0.000 2.927 15 T HA 0.413 4.763 4.350 -0.000 0.000 0.286 15 T C -1.307 173.315 174.700 -0.130 0.000 1.040 15 T CA -0.569 61.395 62.100 -0.226 0.000 1.010 15 T CB 0.850 69.248 68.868 -0.783 0.000 1.177 15 T HN 0.186 nan 8.240 nan 0.000 0.546 16 D N 2.088 122.440 120.400 -0.080 0.000 2.401 16 D HA 0.094 4.734 4.640 -0.000 0.000 0.254 16 D C 1.538 177.902 176.300 0.108 0.000 1.192 16 D CA 0.251 54.312 54.000 0.102 0.000 0.885 16 D CB 1.419 42.425 40.800 0.344 0.000 1.147 16 D HN 0.645 nan 8.370 nan 0.000 0.478 17 S N 3.014 118.815 115.700 0.168 0.000 2.413 17 S HA -0.327 4.143 4.470 -0.000 0.000 0.237 17 S C 1.903 176.667 174.600 0.273 0.000 1.044 17 S CA 1.427 59.761 58.200 0.224 0.000 1.024 17 S CB -0.937 62.379 63.200 0.193 0.000 0.829 17 S HN 0.745 nan 8.310 nan 0.000 0.475 18 Y N 0.722 120.993 120.300 -0.047 0.000 2.457 18 Y HA 0.306 4.855 4.550 -0.000 0.000 0.292 18 Y C 2.069 177.699 175.900 -0.450 0.000 1.125 18 Y CA 0.275 58.332 58.100 -0.072 0.000 1.254 18 Y CB -0.306 38.147 38.460 -0.011 0.000 1.012 18 Y HN 0.119 nan 8.280 nan 0.000 0.555 19 K N 0.863 120.741 120.400 -0.871 0.000 2.280 19 K HA -0.066 4.254 4.320 -0.000 0.000 0.202 19 K C 1.720 177.956 176.600 -0.608 0.000 1.047 19 K CA 1.187 56.684 56.287 -1.316 0.000 0.942 19 K CB -0.088 31.985 32.500 -0.712 0.000 0.739 19 K HN 0.269 nan 8.250 nan 0.000 0.457 20 V N 1.370 121.017 119.914 -0.446 0.000 3.026 20 V HA -0.161 3.959 4.120 -0.000 0.000 0.265 20 V C 1.987 177.985 176.094 -0.159 0.000 1.121 20 V CA 2.054 64.238 62.300 -0.193 0.000 1.142 20 V CB -0.826 30.689 31.823 -0.512 0.000 0.730 20 V HN 0.499 nan 8.190 nan 0.000 0.503 21 T N -4.637 109.831 114.554 -0.143 0.000 3.085 21 T HA 0.096 4.446 4.350 -0.000 0.000 0.264 21 T C 1.370 176.232 174.700 0.269 0.000 1.019 21 T CA -0.175 61.984 62.100 0.099 0.000 0.910 21 T CB -0.159 68.753 68.868 0.073 0.000 1.059 21 T HN 0.414 nan 8.240 nan 0.000 0.542 22 H N 1.126 120.325 119.070 0.214 0.000 2.436 22 H HA 0.060 4.616 4.556 -0.000 0.000 0.294 22 H C 1.923 177.452 175.328 0.335 0.000 1.048 22 H CA 1.170 57.306 56.048 0.147 0.000 1.353 22 H CB -0.809 29.016 29.762 0.105 0.000 1.414 22 H HN 0.796 nan 8.280 nan 0.000 0.536 23 Y N 1.539 122.043 120.300 0.340 0.000 2.102 23 Y HA -0.258 4.292 4.550 -0.000 0.000 0.280 23 Y C 2.020 178.114 175.900 0.323 0.000 1.178 23 Y CA 1.264 59.589 58.100 0.376 0.000 1.146 23 Y CB -0.454 38.019 38.460 0.021 0.000 0.968 23 Y HN -0.035 nan 8.280 nan 0.000 0.504 24 K N 0.376 120.541 120.400 -0.391 0.000 2.280 24 K HA -0.137 4.183 4.320 -0.000 0.000 0.202 24 K C 1.982 178.518 176.600 -0.107 0.000 1.047 24 K CA 1.607 57.638 56.287 -0.426 0.000 0.942 24 K CB -0.154 32.029 32.500 -0.527 0.000 0.739 24 K HN 0.612 nan 8.250 nan 0.000 0.457 25 Q N -0.675 119.116 119.800 -0.016 0.000 2.302 25 Q HA 0.017 4.356 4.340 -0.000 0.000 0.202 25 Q C -0.079 175.859 176.000 -0.102 0.000 0.936 25 Q CA 0.290 56.050 55.803 -0.072 0.000 0.886 25 Q CB 0.162 28.835 28.738 -0.109 0.000 0.986 25 Q HN 0.272 nan 8.270 nan 0.000 0.487 26 Y N 1.730 122.108 120.300 0.131 0.000 2.457 26 Y HA 0.042 4.592 4.550 -0.000 0.000 0.341 26 Y C -1.809 174.105 175.900 0.024 0.000 1.240 26 Y CA -2.093 56.076 58.100 0.116 0.000 1.437 26 Y CB 0.001 38.620 38.460 0.264 0.000 1.328 26 Y HN 0.030 nan 8.280 nan 0.000 0.588 27 P HA 0.019 nan 4.420 nan 0.000 0.265 27 P C -2.557 174.741 177.300 -0.004 0.000 1.193 27 P CA -0.823 62.305 63.100 0.046 0.000 0.765 27 P CB 0.095 31.813 31.700 0.031 0.000 0.823 28 P HA 0.034 nan 4.420 nan 0.000 0.268 28 P C -0.095 177.144 177.300 -0.102 0.000 1.205 28 P CA 0.558 63.611 63.100 -0.079 0.000 0.771 28 P CB 0.206 31.870 31.700 -0.061 0.000 0.858 29 N N -1.122 117.485 118.700 -0.155 0.000 2.926 29 N HA -0.105 4.635 4.740 -0.000 0.000 0.249 29 N C -0.816 174.592 175.510 -0.171 0.000 1.100 29 N CA 0.816 53.779 53.050 -0.144 0.000 0.777 29 N CB -2.113 36.321 38.487 -0.088 0.000 1.112 29 N HN 0.344 nan 8.380 nan 0.000 0.552 30 T N 0.456 114.846 114.554 -0.274 0.000 2.727 30 T HA 0.306 4.655 4.350 -0.000 0.000 0.298 30 T C 1.395 175.923 174.700 -0.287 0.000 0.942 30 T CA 0.211 62.160 62.100 -0.251 0.000 0.997 30 T CB 0.878 69.604 68.868 -0.237 0.000 0.917 30 T HN 0.297 nan 8.240 nan 0.000 0.487 31 S N 2.972 118.598 115.700 -0.123 0.000 2.517 31 S HA 0.249 4.719 4.470 -0.000 0.000 0.214 31 S C 0.502 175.132 174.600 0.050 0.000 0.991 31 S CA -0.254 57.931 58.200 -0.026 0.000 0.906 31 S CB 0.250 63.444 63.200 -0.010 0.000 0.789 31 S HN 0.620 nan 8.310 nan 0.000 0.513 32 K N -0.181 120.229 120.400 0.017 0.000 2.562 32 K HA 0.575 4.895 4.320 -0.000 0.000 0.267 32 K C -2.380 174.230 176.600 0.017 0.000 0.938 32 K CA -0.748 55.570 56.287 0.051 0.000 0.840 32 K CB 2.503 35.047 32.500 0.072 0.000 1.390 32 K HN 0.001 nan 8.250 nan 0.000 0.428 33 V N 4.913 124.867 119.914 0.067 0.000 2.509 33 V HA 0.371 4.491 4.120 -0.000 0.000 0.289 33 V C -1.887 174.332 176.094 0.208 0.000 1.026 33 V CA -0.515 61.828 62.300 0.072 0.000 0.872 33 V CB 0.954 32.732 31.823 -0.075 0.000 1.017 33 V HN 0.768 nan 8.190 nan 0.000 0.436 34 Y N 5.138 125.528 120.300 0.151 0.000 2.336 34 Y HA 0.691 5.240 4.550 -0.000 0.000 0.335 34 Y C 0.441 176.433 175.900 0.153 0.000 1.046 34 Y CA 0.376 58.591 58.100 0.193 0.000 1.198 34 Y CB 1.436 40.076 38.460 0.300 0.000 1.182 34 Y HN 0.669 nan 8.280 nan 0.000 0.502 35 S N 6.245 121.813 115.700 -0.221 0.000 2.536 35 S HA 0.488 4.957 4.470 -0.000 0.000 0.287 35 S C -1.487 172.756 174.600 -0.596 0.000 1.101 35 S CA -0.663 57.325 58.200 -0.354 0.000 0.950 35 S CB 0.923 63.901 63.200 -0.369 0.000 1.056 35 S HN 0.670 nan 8.310 nan 0.000 0.481 36 Y N 0.737 120.596 120.300 -0.734 0.000 2.659 36 Y HA 0.877 5.427 4.550 -0.000 0.000 0.333 36 Y C -1.266 174.253 175.900 -0.634 0.000 1.064 36 Y CA -1.546 56.198 58.100 -0.594 0.000 1.141 36 Y CB 0.962 39.198 38.460 -0.372 0.000 1.316 36 Y HN 0.563 nan 8.280 nan 0.000 0.509 37 F N 1.425 120.801 119.950 -0.956 0.000 2.569 37 F HA 0.612 5.139 4.527 -0.000 0.000 0.312 37 F C -1.380 174.078 175.800 -0.571 0.000 1.109 37 F CA -0.415 57.003 58.000 -0.970 0.000 0.919 37 F CB 1.778 39.827 39.000 -1.585 0.000 1.211 37 F HN 0.832 nan 8.300 nan 0.000 0.446 38 E N 2.781 122.488 120.200 -0.822 0.000 2.445 38 E HA 0.461 4.811 4.350 -0.000 0.000 0.279 38 E C -1.853 174.453 176.600 -0.489 0.000 1.018 38 E CA -1.110 55.063 56.400 -0.378 0.000 0.816 38 E CB 1.483 31.142 29.700 -0.067 0.000 1.356 38 E HN 0.496 nan 8.360 nan 0.000 0.462 39 C N 1.957 121.144 119.300 -0.189 0.000 2.494 39 C HA 0.437 4.897 4.460 -0.000 0.000 0.424 39 C C 0.489 175.437 174.990 -0.069 0.000 1.188 39 C CA -0.500 58.448 59.018 -0.117 0.000 1.620 39 C CB -1.949 25.797 27.740 0.010 0.000 1.706 39 C HN 0.635 nan 8.230 nan 0.000 0.543 40 R N 2.675 123.116 120.500 -0.098 0.000 2.503 40 R HA -0.045 4.295 4.340 -0.000 0.000 0.271 40 R C 0.876 177.165 176.300 -0.018 0.000 0.960 40 R CA 1.212 57.283 56.100 -0.048 0.000 1.104 40 R CB 0.553 30.819 30.300 -0.057 0.000 0.879 40 R HN 0.813 nan 8.270 nan 0.000 0.420 55 E N 1.440 121.740 120.200 0.167 0.000 2.122 55 E HA -0.067 4.282 4.350 -0.000 0.000 0.190 55 E C 0.419 177.063 176.600 0.073 0.000 0.977 55 E CA 0.784 57.243 56.400 0.098 0.000 0.820 55 E CB 0.396 30.140 29.700 0.073 0.000 0.770 55 E HN 0.577 nan 8.360 nan 0.000 0.462 56 E N 1.192 121.432 120.200 0.067 0.000 2.212 56 E HA 0.362 4.712 4.350 -0.000 0.000 0.268 56 E C -0.591 176.017 176.600 0.013 0.000 0.902 56 E CA -0.777 55.640 56.400 0.028 0.000 0.779 56 E CB 1.806 31.523 29.700 0.027 0.000 1.172 56 E HN -0.107 nan 8.360 nan 0.000 0.409 57 T N -1.251 113.301 114.554 -0.004 0.000 2.907 57 T HA 0.439 4.789 4.350 -0.000 0.000 0.292 57 T C -0.275 174.431 174.700 0.009 0.000 1.043 57 T CA -0.847 61.251 62.100 -0.003 0.000 1.003 57 T CB 1.444 70.332 68.868 0.034 0.000 1.084 57 T HN 0.278 nan 8.240 nan 0.000 0.483 58 V N 3.212 123.123 119.914 -0.005 0.000 2.432 58 V HA 0.346 4.466 4.120 -0.000 0.000 0.271 58 V C -0.237 175.909 176.094 0.086 0.000 1.046 58 V CA -0.674 61.629 62.300 0.006 0.000 0.945 58 V CB 0.086 31.869 31.823 -0.066 0.000 0.992 58 V HN 0.847 nan 8.190 nan 0.000 0.471 59 F N 7.946 127.898 119.950 0.003 0.000 2.413 59 F HA 0.580 5.106 4.527 -0.000 0.000 0.359 59 F C -0.703 175.151 175.800 0.091 0.000 1.122 59 F CA -0.521 57.503 58.000 0.040 0.000 1.160 59 F CB 0.190 39.202 39.000 0.020 0.000 1.146 59 F HN 0.520 nan 8.300 nan 0.000 0.514 60 Y N 4.394 124.280 120.300 -0.690 0.000 2.571 60 Y HA 0.540 5.090 4.550 -0.000 0.000 0.341 60 Y C 0.272 175.882 175.900 -0.483 0.000 1.076 60 Y CA -0.785 56.998 58.100 -0.529 0.000 1.029 60 Y CB 2.063 40.338 38.460 -0.309 0.000 1.308 60 Y HN 0.742 nan 8.280 nan 0.000 0.461 61 G N 2.866 110.784 108.800 -1.469 0.000 2.234 61 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.235 61 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.235 61 G C 0.619 175.246 174.900 -0.456 0.000 0.997 61 G CA 0.394 44.886 45.100 -1.012 0.000 0.623 61 G HN 1.110 nan 8.290 nan 0.000 0.514 62 L N 1.268 122.189 121.223 -0.502 0.000 2.131 62 L HA 0.115 4.455 4.340 -0.000 0.000 0.210 62 L C 2.580 179.330 176.870 -0.200 0.000 1.092 62 L CA 3.219 57.852 54.840 -0.345 0.000 0.759 62 L CB -0.585 41.299 42.059 -0.291 0.000 0.903 62 L HN 0.573 nan 8.230 nan 0.000 0.435 63 Q N -1.533 118.194 119.800 -0.121 0.000 2.096 63 Q HA -0.309 4.031 4.340 -0.000 0.000 0.204 63 Q C 2.307 178.236 176.000 -0.118 0.000 0.982 63 Q CA 2.250 57.989 55.803 -0.106 0.000 0.850 63 Q CB -0.563 28.057 28.738 -0.196 0.000 0.901 63 Q HN 0.701 nan 8.270 nan 0.000 0.422 64 Y N 0.804 120.962 120.300 -0.236 0.000 2.128 64 Y HA -0.218 4.332 4.550 -0.000 0.000 0.284 64 Y C 1.755 177.487 175.900 -0.279 0.000 1.154 64 Y CA 1.984 59.904 58.100 -0.301 0.000 1.149 64 Y CB -0.225 38.046 38.460 -0.315 0.000 0.976 64 Y HN 0.137 nan 8.280 nan 0.000 0.505 65 I N -0.038 120.381 120.570 -0.252 0.000 2.315 65 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 65 I C 2.321 178.304 176.117 -0.224 0.000 1.117 65 I CA 1.115 62.254 61.300 -0.269 0.000 1.404 65 I CB -0.488 37.396 38.000 -0.193 0.000 1.071 65 I HN 0.279 nan 8.210 nan 0.000 0.419 66 L N 0.463 121.554 121.223 -0.219 0.000 2.012 66 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 66 L C 2.414 179.231 176.870 -0.087 0.000 1.073 66 L CA 1.510 56.228 54.840 -0.203 0.000 0.748 66 L CB -0.826 41.163 42.059 -0.116 0.000 0.891 66 L HN 0.363 nan 8.230 nan 0.000 0.431 67 N N 0.277 118.942 118.700 -0.059 0.000 2.092 67 N HA -0.201 4.538 4.740 -0.000 0.000 0.189 67 N C 1.866 177.348 175.510 -0.048 0.000 1.040 67 N CA 1.259 54.318 53.050 0.016 0.000 0.845 67 N CB -0.145 38.440 38.487 0.163 0.000 1.017 67 N HN 0.268 nan 8.380 nan 0.000 0.426 68 K N -0.124 120.163 120.400 -0.189 0.000 2.147 68 K HA -0.147 4.172 4.320 -0.000 0.000 0.205 68 K C 0.939 177.056 176.600 -0.806 0.000 1.049 68 K CA 1.429 57.401 56.287 -0.525 0.000 0.936 68 K CB 0.084 31.884 32.500 -1.167 0.000 0.722 68 K HN 0.239 nan 8.250 nan 0.000 0.446 69 Y N -1.420 118.654 120.300 -0.377 0.000 2.585 69 Y HA 0.193 4.743 4.550 -0.000 0.000 0.272 69 Y C 1.471 177.317 175.900 -0.090 0.000 1.119 69 Y CA -0.220 57.692 58.100 -0.314 0.000 1.255 69 Y CB 0.587 38.796 38.460 -0.419 0.000 1.284 69 Y HN -0.129 nan 8.280 nan 0.000 0.499 70 L N -0.014 121.213 121.223 0.007 0.000 2.537 70 L HA 0.149 4.488 4.340 -0.000 0.000 0.224 70 L C 0.966 177.918 176.870 0.138 0.000 1.065 70 L CA 0.002 54.836 54.840 -0.010 0.000 0.860 70 L CB 0.050 41.900 42.059 -0.350 0.000 1.086 70 L HN -0.074 nan 8.230 nan 0.000 0.482 71 K N 1.353 121.853 120.400 0.166 0.000 2.440 71 K HA 0.247 4.567 4.320 -0.000 0.000 0.270 71 K C 0.872 177.461 176.600 -0.018 0.000 0.980 71 K CA 0.752 57.168 56.287 0.216 0.000 0.953 71 K CB 0.378 32.947 32.500 0.115 0.000 0.925 71 K HN 0.146 nan 8.250 nan 0.000 0.497 72 G N 2.138 110.803 108.800 -0.224 0.000 2.564 72 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.273 72 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.273 72 G C -0.785 173.566 174.900 -0.915 0.000 1.242 72 G CA 0.392 45.115 45.100 -0.628 0.000 0.951 72 G HN 0.831 nan 8.290 nan 0.000 0.564 73 K N 0.751 120.892 120.400 -0.431 0.000 2.262 73 K HA 0.438 4.758 4.320 -0.000 0.000 0.288 73 K C 1.425 178.046 176.600 0.036 0.000 1.090 73 K CA 0.254 56.538 56.287 -0.006 0.000 0.918 73 K CB 0.433 33.041 32.500 0.179 0.000 1.139 73 K HN 1.081 nan 8.250 nan 0.000 0.462 74 V N 1.516 121.481 119.914 0.086 0.000 3.643 74 V HA 0.174 4.294 4.120 -0.000 0.000 0.280 74 V C 0.109 176.282 176.094 0.132 0.000 1.351 74 V CA -0.237 62.139 62.300 0.127 0.000 1.073 74 V CB 0.579 32.510 31.823 0.180 0.000 0.863 74 V HN 0.229 nan 8.190 nan 0.000 0.436 75 V N 1.982 121.998 119.914 0.169 0.000 2.555 75 V HA 0.829 4.949 4.120 -0.000 0.000 0.302 75 V C 0.053 176.220 176.094 0.123 0.000 1.038 75 V CA 0.444 62.841 62.300 0.162 0.000 0.887 75 V CB 1.122 33.141 31.823 0.327 0.000 0.991 75 V HN 0.641 nan 8.190 nan 0.000 0.434 76 T N 0.036 114.632 114.554 0.070 0.000 2.868 76 T HA 0.445 4.795 4.350 -0.000 0.000 0.306 76 T C 0.520 175.248 174.700 0.046 0.000 1.224 76 T CA -0.840 61.296 62.100 0.059 0.000 1.012 76 T CB 2.094 70.984 68.868 0.036 0.000 1.221 76 T HN 0.448 nan 8.240 nan 0.000 0.499 77 K N 0.280 120.709 120.400 0.048 0.000 2.089 77 K HA -0.208 4.112 4.320 -0.000 0.000 0.210 77 K C 1.813 178.426 176.600 0.021 0.000 1.048 77 K CA 2.247 58.560 56.287 0.044 0.000 0.926 77 K CB -0.180 32.343 32.500 0.037 0.000 0.714 77 K HN 0.628 nan 8.250 nan 0.000 0.448 78 E N 0.822 121.023 120.200 0.002 0.000 2.031 78 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 78 E C 1.846 178.411 176.600 -0.059 0.000 0.994 78 E CA 1.149 57.535 56.400 -0.023 0.000 0.800 78 E CB -0.060 29.626 29.700 -0.024 0.000 0.752 78 E HN 0.106 nan 8.360 nan 0.000 0.447 79 K N 0.518 120.873 120.400 -0.074 0.000 2.044 79 K HA -0.133 4.187 4.320 -0.000 0.000 0.210 79 K C 2.277 178.769 176.600 -0.180 0.000 1.049 79 K CA 1.202 57.402 56.287 -0.145 0.000 0.927 79 K CB -0.593 31.816 32.500 -0.151 0.000 0.713 79 K HN 0.242 nan 8.250 nan 0.000 0.443 80 I N 1.005 121.521 120.570 -0.091 0.000 2.127 80 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 80 I C 2.779 178.898 176.117 0.004 0.000 1.075 80 I CA 1.313 62.613 61.300 0.000 0.000 1.334 80 I CB -0.400 37.681 38.000 0.134 0.000 1.040 80 I HN 0.146 nan 8.210 nan 0.000 0.405 81 Q N 1.325 121.125 119.800 -0.000 0.000 2.096 81 Q HA -0.275 4.065 4.340 -0.000 0.000 0.204 81 Q C 2.009 177.959 176.000 -0.082 0.000 0.982 81 Q CA 2.050 57.850 55.803 -0.005 0.000 0.850 81 Q CB -0.265 28.471 28.738 -0.004 0.000 0.901 81 Q HN 0.489 nan 8.270 nan 0.000 0.422 82 E N -0.928 119.188 120.200 -0.140 0.000 2.038 82 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 82 E C 1.793 178.197 176.600 -0.327 0.000 1.000 82 E CA 1.176 57.455 56.400 -0.200 0.000 0.803 82 E CB -0.319 29.258 29.700 -0.206 0.000 0.750 82 E HN 0.444 nan 8.360 nan 0.000 0.448 83 A N 1.667 124.212 122.820 -0.460 0.000 1.859 83 A HA -0.304 4.015 4.320 -0.000 0.000 0.217 83 A C 2.149 179.320 177.584 -0.688 0.000 1.198 83 A CA 2.227 53.790 52.037 -0.790 0.000 0.629 83 A CB -0.777 17.607 19.000 -1.026 0.000 0.830 83 A HN 0.300 nan 8.150 nan 0.000 0.446 84 K N -0.254 119.866 120.400 -0.466 0.000 2.034 84 K HA -0.265 4.055 4.320 -0.000 0.000 0.214 84 K C 1.966 178.576 176.600 0.016 0.000 1.051 84 K CA 2.129 58.440 56.287 0.040 0.000 0.931 84 K CB -0.271 32.384 32.500 0.258 0.000 0.715 84 K HN 0.677 nan 8.250 nan 0.000 0.446 85 E N -0.168 119.998 120.200 -0.057 0.000 2.077 85 E HA -0.167 4.182 4.350 -0.000 0.000 0.193 85 E C 2.079 178.640 176.600 -0.065 0.000 0.989 85 E CA 1.473 57.849 56.400 -0.040 0.000 0.800 85 E CB 0.027 29.692 29.700 -0.059 0.000 0.746 85 E HN 0.140 nan 8.360 nan 0.000 0.452 86 V N 0.584 120.381 119.914 -0.194 0.000 2.244 86 V HA -0.254 3.866 4.120 -0.000 0.000 0.244 86 V C 1.929 177.983 176.094 -0.065 0.000 1.042 86 V CA 1.743 63.908 62.300 -0.226 0.000 1.006 86 V CB -0.728 30.823 31.823 -0.454 0.000 0.641 86 V HN 0.304 nan 8.190 nan 0.000 0.446 87 Y N -0.005 120.344 120.300 0.081 0.000 2.384 87 Y HA -0.260 4.290 4.550 -0.000 0.000 0.289 87 Y C 2.710 178.811 175.900 0.334 0.000 1.152 87 Y CA 1.371 59.651 58.100 0.301 0.000 1.258 87 Y CB -0.218 38.309 38.460 0.113 0.000 0.979 87 Y HN 0.139 nan 8.280 nan 0.000 0.549 88 R N 1.144 121.817 120.500 0.288 0.000 2.075 88 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 88 R C 1.959 178.388 176.300 0.215 0.000 1.126 88 R CA 1.921 58.158 56.100 0.228 0.000 0.963 88 R CB -0.411 29.974 30.300 0.140 0.000 0.858 88 R HN 0.444 nan 8.270 nan 0.000 0.435 89 E N -1.339 118.963 120.200 0.170 0.000 2.076 89 E HA -0.192 4.158 4.350 -0.000 0.000 0.190 89 E C 1.792 178.505 176.600 0.189 0.000 0.979 89 E CA 0.826 57.303 56.400 0.128 0.000 0.807 89 E CB -0.219 29.512 29.700 0.053 0.000 0.761 89 E HN 0.634 nan 8.360 nan 0.000 0.454 90 H N -1.607 117.532 119.070 0.115 0.000 2.353 90 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 90 H C 1.145 176.439 175.328 -0.056 0.000 1.090 90 H CA 1.389 57.453 56.048 0.028 0.000 1.327 90 H CB 0.184 29.993 29.762 0.078 0.000 1.383 90 H HN 0.204 nan 8.280 nan 0.000 0.508 91 F N 0.132 120.166 119.950 0.139 0.000 2.746 91 F HA 0.059 4.586 4.527 -0.000 0.000 0.297 91 F C 0.924 176.763 175.800 0.064 0.000 1.113 91 F CA 0.012 58.039 58.000 0.045 0.000 1.367 91 F CB 0.506 39.538 39.000 0.053 0.000 1.111 91 F HN 0.077 nan 8.300 nan 0.000 0.590 92 Q N 0.071 120.018 119.800 0.245 0.000 2.452 92 Q HA -0.272 4.068 4.340 -0.000 0.000 0.248 92 Q C -0.895 175.200 176.000 0.157 0.000 0.874 92 Q CA 1.394 57.292 55.803 0.159 0.000 1.208 92 Q CB -2.068 26.736 28.738 0.109 0.000 1.569 92 Q HN 0.490 nan 8.270 nan 0.000 0.579 93 D N -0.540 119.982 120.400 0.203 0.000 2.937 93 D HA 0.150 4.790 4.640 -0.000 0.000 0.215 93 D C -1.192 175.190 176.300 0.138 0.000 1.274 93 D CA -0.441 53.648 54.000 0.148 0.000 0.869 93 D CB 0.909 41.790 40.800 0.136 0.000 1.675 93 D HN -0.103 nan 8.370 nan 0.000 0.538 94 D N 3.130 123.594 120.400 0.107 0.000 2.598 94 D HA 0.019 4.659 4.640 -0.000 0.000 0.231 94 D C 1.196 177.525 176.300 0.048 0.000 1.127 94 D CA 0.258 54.320 54.000 0.104 0.000 1.126 94 D CB 0.597 41.457 40.800 0.099 0.000 1.124 94 D HN 0.155 nan 8.370 nan 0.000 0.485 95 V N 1.801 121.688 119.914 -0.044 0.000 2.951 95 V HA -0.100 4.020 4.120 -0.000 0.000 0.255 95 V C 1.164 177.184 176.094 -0.124 0.000 1.088 95 V CA 0.028 62.261 62.300 -0.112 0.000 1.109 95 V CB -0.630 30.990 31.823 -0.338 0.000 0.724 95 V HN 0.330 nan 8.190 nan 0.000 0.471 96 F N 3.288 123.078 119.950 -0.266 0.000 2.612 96 F HA 0.073 4.600 4.527 -0.000 0.000 0.389 96 F C 0.690 176.360 175.800 -0.217 0.000 1.055 96 F CA -0.794 57.063 58.000 -0.239 0.000 1.232 96 F CB -0.205 38.793 39.000 -0.004 0.000 1.044 96 F HN 0.122 nan 8.300 nan 0.000 0.560 97 N N 5.187 123.197 118.700 -1.151 0.000 2.739 97 N HA -0.009 4.730 4.740 -0.000 0.000 0.266 97 N C 1.039 175.743 175.510 -1.345 0.000 1.168 97 N CA 0.258 52.569 53.050 -1.232 0.000 1.055 97 N CB -0.122 37.368 38.487 -1.662 0.000 1.393 97 N HN 0.844 nan 8.380 nan 0.000 0.514 98 E N 2.234 121.716 120.200 -1.196 0.000 2.106 98 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 98 E C 1.637 178.099 176.600 -0.231 0.000 0.984 98 E CA 0.592 56.593 56.400 -0.665 0.000 0.806 98 E CB 0.179 29.738 29.700 -0.236 0.000 0.750 98 E HN 0.579 nan 8.360 nan 0.000 0.458 99 R N -0.203 120.159 120.500 -0.230 0.000 2.062 99 R HA -0.089 4.251 4.340 -0.000 0.000 0.231 99 R C 2.420 178.676 176.300 -0.073 0.000 1.136 99 R CA 1.529 57.573 56.100 -0.094 0.000 0.948 99 R CB -0.594 29.657 30.300 -0.081 0.000 0.845 99 R HN 0.226 nan 8.270 nan 0.000 0.430 100 G N -0.179 108.457 108.800 -0.274 0.000 2.469 100 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 100 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 100 G C 1.013 175.859 174.900 -0.090 0.000 1.150 100 G CA 0.827 45.733 45.100 -0.323 0.000 0.763 100 G HN 0.465 nan 8.290 nan 0.000 0.561 101 W N 0.514 121.696 121.300 -0.198 0.000 2.409 101 W HA 0.044 4.703 4.660 -0.000 0.000 0.299 101 W C 2.645 179.224 176.519 0.099 0.000 1.203 101 W CA 0.704 58.070 57.345 0.034 0.000 1.298 101 W CB -0.080 29.366 29.460 -0.024 0.000 1.127 101 W HN 0.122 nan 8.180 nan 0.000 0.528 102 N N -0.280 118.597 118.700 0.295 0.000 2.166 102 N HA -0.260 4.480 4.740 -0.000 0.000 0.186 102 N C 1.666 177.312 175.510 0.227 0.000 1.019 102 N CA 1.421 54.608 53.050 0.228 0.000 0.856 102 N CB -0.545 38.033 38.487 0.152 0.000 0.993 102 N HN 0.170 nan 8.380 nan 0.000 0.426 103 Y N 2.038 122.400 120.300 0.103 0.000 2.165 103 Y HA -0.135 4.415 4.550 -0.000 0.000 0.286 103 Y C 2.230 178.200 175.900 0.117 0.000 1.155 103 Y CA 1.341 59.492 58.100 0.085 0.000 1.164 103 Y CB -0.654 37.859 38.460 0.088 0.000 0.978 103 Y HN 0.040 nan 8.280 nan 0.000 0.513 104 I N -0.600 119.972 120.570 0.003 0.000 2.226 104 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 104 I C 2.317 178.474 176.117 0.067 0.000 1.100 104 I CA 1.210 62.507 61.300 -0.004 0.000 1.374 104 I CB -0.559 37.486 38.000 0.074 0.000 1.057 104 I HN 0.281 nan 8.210 nan 0.000 0.413 105 L N 0.805 122.110 121.223 0.138 0.000 2.131 105 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 105 L C 2.159 179.061 176.870 0.054 0.000 1.092 105 L CA 1.856 56.775 54.840 0.132 0.000 0.759 105 L CB -0.593 41.563 42.059 0.161 0.000 0.903 105 L HN 0.234 nan 8.230 nan 0.000 0.435 106 E N -0.954 119.251 120.200 0.008 0.000 2.057 106 E HA -0.151 4.198 4.350 -0.000 0.000 0.191 106 E C 1.996 178.510 176.600 -0.143 0.000 0.959 106 E CA 0.547 56.931 56.400 -0.027 0.000 0.828 106 E CB -0.134 29.584 29.700 0.030 0.000 0.800 106 E HN 0.135 nan 8.360 nan 0.000 0.460 107 K N 0.551 120.765 120.400 -0.310 0.000 2.103 107 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 107 K C 0.601 176.750 176.600 -0.752 0.000 1.048 107 K CA 1.464 57.392 56.287 -0.598 0.000 0.930 107 K CB -0.092 31.817 32.500 -0.985 0.000 0.716 107 K HN 0.192 nan 8.250 nan 0.000 0.444 108 Y N -0.134 120.051 120.300 -0.191 0.000 2.720 108 Y HA 0.183 4.733 4.550 -0.000 0.000 0.268 108 Y C -0.235 175.599 175.900 -0.111 0.000 1.142 108 Y CA -0.464 57.548 58.100 -0.148 0.000 1.193 108 Y CB 0.271 38.653 38.460 -0.129 0.000 1.176 108 Y HN 0.105 nan 8.280 nan 0.000 0.542 109 D N 1.283 121.679 120.400 -0.006 0.000 2.739 109 D HA -0.245 4.395 4.640 -0.000 0.000 0.230 109 D C 1.414 177.821 176.300 0.177 0.000 1.167 109 D CA 1.736 55.750 54.000 0.024 0.000 0.640 109 D CB -0.993 39.761 40.800 -0.077 0.000 1.045 109 D HN 0.790 nan 8.370 nan 0.000 0.421 110 G N -1.193 107.736 108.800 0.215 0.000 2.179 110 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 110 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 110 G C 0.326 175.433 174.900 0.345 0.000 0.977 110 G CA 0.406 45.673 45.100 0.278 0.000 0.641 110 G HN 0.715 nan 8.290 nan 0.000 0.533 111 H N -0.436 118.706 119.070 0.120 0.000 2.551 111 H HA 0.469 5.024 4.556 -0.000 0.000 0.358 111 H C 0.593 175.944 175.328 0.039 0.000 1.151 111 H CA -0.514 55.585 56.048 0.085 0.000 1.374 111 H CB 1.003 30.786 29.762 0.034 0.000 1.473 111 H HN 0.106 nan 8.280 nan 0.000 0.574 112 L N 4.597 125.906 121.223 0.144 0.000 2.278 112 L HA 0.162 4.501 4.340 -0.000 0.000 0.287 112 L C -1.848 174.959 176.870 -0.106 0.000 1.072 112 L CA -1.895 52.961 54.840 0.027 0.000 0.819 112 L CB 0.729 42.863 42.059 0.125 0.000 1.176 112 L HN 0.409 nan 8.230 nan 0.000 0.435 113 P HA 0.131 nan 4.420 nan 0.000 0.237 113 P C -0.742 176.411 177.300 -0.246 0.000 1.788 113 P CA 0.205 63.000 63.100 -0.508 0.000 1.061 113 P CB -0.449 30.755 31.700 -0.826 0.000 1.967 114 I N -2.556 117.969 120.570 -0.075 0.000 2.865 114 I HA 0.634 4.804 4.170 -0.000 0.000 0.302 114 I C -1.056 175.156 176.117 0.158 0.000 1.140 114 I CA -1.458 59.873 61.300 0.052 0.000 1.021 114 I CB 3.241 41.305 38.000 0.106 0.000 1.233 114 I HN -0.130 nan 8.210 nan 0.000 0.427 115 E N 3.600 123.895 120.200 0.159 0.000 2.227 115 E HA 0.713 5.063 4.350 -0.000 0.000 0.268 115 E C -1.775 174.963 176.600 0.229 0.000 0.907 115 E CA -0.934 55.573 56.400 0.178 0.000 0.786 115 E CB 2.713 32.488 29.700 0.125 0.000 1.191 115 E HN 0.605 nan 8.360 nan 0.000 0.411 116 V N 3.847 123.912 119.914 0.251 0.000 2.419 116 V HA 0.285 4.405 4.120 -0.000 0.000 0.287 116 V C -0.600 175.611 176.094 0.195 0.000 1.017 116 V CA -0.957 61.470 62.300 0.212 0.000 0.844 116 V CB 1.317 33.242 31.823 0.169 0.000 1.011 116 V HN 0.591 nan 8.190 nan 0.000 0.429 117 K N 2.922 123.436 120.400 0.189 0.000 2.144 117 K HA 0.883 5.203 4.320 -0.000 0.000 0.270 117 K C -0.094 176.603 176.600 0.162 0.000 1.005 117 K CA 0.153 56.543 56.287 0.172 0.000 0.932 117 K CB 1.675 34.270 32.500 0.158 0.000 1.021 117 K HN 0.987 nan 8.250 nan 0.000 0.462 118 A N 0.900 123.793 122.820 0.120 0.000 2.577 118 A HA 0.426 4.746 4.320 -0.000 0.000 0.297 118 A C -1.112 176.439 177.584 -0.056 0.000 1.060 118 A CA -0.949 51.110 52.037 0.037 0.000 0.697 118 A CB 0.559 19.627 19.000 0.114 0.000 1.281 118 A HN 0.455 nan 8.150 nan 0.000 0.402 119 V N 0.512 120.255 119.914 -0.283 0.000 2.740 119 V HA 0.433 4.553 4.120 -0.000 0.000 0.303 119 V C -1.981 174.062 176.094 -0.085 0.000 1.054 119 V CA -1.365 60.801 62.300 -0.224 0.000 1.106 119 V CB -0.116 31.517 31.823 -0.316 0.000 0.957 119 V HN 0.787 nan 8.190 nan 0.000 0.486 120 P HA 0.001 nan 4.420 nan 0.000 0.264 120 P C -0.008 177.122 177.300 -0.284 0.000 1.179 120 P CA 0.229 63.091 63.100 -0.397 0.000 0.763 120 P CB 0.447 31.995 31.700 -0.254 0.000 0.806 121 E N 1.318 121.244 120.200 -0.457 0.000 2.442 121 E HA 0.109 4.459 4.350 -0.000 0.000 0.262 121 E C 1.494 178.084 176.600 -0.016 0.000 1.004 121 E CA 1.328 57.726 56.400 -0.003 0.000 0.928 121 E CB -0.074 29.733 29.700 0.178 0.000 0.937 121 E HN 0.829 nan 8.360 nan 0.000 0.446 122 G N 2.617 111.453 108.800 0.060 0.000 2.268 122 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.240 122 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.240 122 G C 0.465 175.362 174.900 -0.005 0.000 1.010 122 G CA 0.266 45.347 45.100 -0.032 0.000 0.618 122 G HN 0.490 nan 8.290 nan 0.000 0.516 123 S N -0.071 115.654 115.700 0.042 0.000 2.561 123 S HA 0.341 4.811 4.470 -0.000 0.000 0.294 123 S C 0.486 175.091 174.600 0.007 0.000 1.294 123 S CA 0.385 58.602 58.200 0.028 0.000 1.055 123 S CB 1.716 64.923 63.200 0.013 0.000 0.819 123 S HN 0.868 nan 8.310 nan 0.000 0.503 124 V N 5.612 125.512 119.914 -0.023 0.000 2.294 124 V HA 0.342 4.462 4.120 -0.000 0.000 0.272 124 V C -0.301 175.701 176.094 -0.153 0.000 1.027 124 V CA -0.504 61.769 62.300 -0.046 0.000 0.823 124 V CB 0.383 32.199 31.823 -0.012 0.000 1.030 124 V HN 0.624 nan 8.190 nan 0.000 0.457 125 I N 7.300 127.732 120.570 -0.230 0.000 2.474 125 I HA 0.536 4.706 4.170 -0.000 0.000 0.294 125 I C -2.241 173.756 176.117 -0.199 0.000 1.005 125 I CA -2.789 58.245 61.300 -0.444 0.000 1.113 125 I CB 2.100 39.782 38.000 -0.531 0.000 1.289 125 I HN 0.325 nan 8.210 nan 0.000 0.436 126 P HA 0.183 nan 4.420 nan 0.000 0.274 126 P C -0.276 177.009 177.300 -0.025 0.000 1.246 126 P CA -0.653 62.432 63.100 -0.025 0.000 0.795 126 P CB 0.644 32.368 31.700 0.040 0.000 1.006 127 R N 0.344 120.850 120.500 0.010 0.000 2.697 127 R HA 0.171 4.511 4.340 -0.000 0.000 0.265 127 R C 1.587 177.886 176.300 -0.002 0.000 1.009 127 R CA 1.298 57.404 56.100 0.010 0.000 1.099 127 R CB -1.411 28.906 30.300 0.028 0.000 0.965 127 R HN 0.961 nan 8.270 nan 0.000 0.428 128 G N 1.341 110.135 108.800 -0.010 0.000 2.217 128 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.246 128 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.246 128 G C 0.163 175.054 174.900 -0.015 0.000 0.990 128 G CA -0.141 44.954 45.100 -0.009 0.000 0.627 128 G HN 0.583 nan 8.290 nan 0.000 0.522 129 N N 0.220 118.901 118.700 -0.032 0.000 2.524 129 N HA 0.405 5.145 4.740 -0.000 0.000 0.283 129 N C 0.098 175.584 175.510 -0.040 0.000 1.142 129 N CA 0.052 53.069 53.050 -0.055 0.000 0.984 129 N CB 2.385 40.803 38.487 -0.114 0.000 1.155 129 N HN 0.303 nan 8.380 nan 0.000 0.467 130 V N 3.909 123.797 119.914 -0.044 0.000 2.470 130 V HA 0.094 4.213 4.120 -0.000 0.000 0.276 130 V C 1.015 177.046 176.094 -0.104 0.000 1.040 130 V CA 0.195 62.490 62.300 -0.008 0.000 1.008 130 V CB -0.245 31.562 31.823 -0.027 0.000 0.990 130 V HN 0.562 nan 8.190 nan 0.000 0.477 131 L N 6.994 128.141 121.223 -0.126 0.000 2.463 131 L HA 0.397 4.736 4.340 -0.000 0.000 0.219 131 L C 0.205 176.865 176.870 -0.349 0.000 1.088 131 L CA 0.319 54.958 54.840 -0.334 0.000 0.849 131 L CB -0.052 41.863 42.059 -0.240 0.000 1.012 131 L HN 0.789 nan 8.230 nan 0.000 0.468 132 F N -1.830 118.032 119.950 -0.147 0.000 2.769 132 F HA 0.560 5.087 4.527 -0.000 0.000 0.313 132 F C -0.908 174.888 175.800 -0.008 0.000 1.146 132 F CA -1.285 56.654 58.000 -0.101 0.000 0.934 132 F CB 0.766 39.710 39.000 -0.094 0.000 1.283 132 F HN -0.171 nan 8.300 nan 0.000 0.443 133 T N -0.271 114.482 114.554 0.332 0.000 2.906 133 T HA 0.850 5.200 4.350 -0.000 0.000 0.295 133 T C -1.780 173.017 174.700 0.162 0.000 1.061 133 T CA -0.909 61.225 62.100 0.057 0.000 1.000 133 T CB 1.700 70.433 68.868 -0.226 0.000 1.103 133 T HN 0.986 nan 8.240 nan 0.000 0.486 134 V N 2.395 122.331 119.914 0.037 0.000 2.623 134 V HA 0.668 4.788 4.120 -0.000 0.000 0.304 134 V C -0.640 175.513 176.094 0.098 0.000 1.054 134 V CA -0.722 61.679 62.300 0.168 0.000 0.882 134 V CB 1.481 33.545 31.823 0.400 0.000 1.002 134 V HN 1.154 nan 8.190 nan 0.000 0.424 135 E N 3.872 124.162 120.200 0.150 0.000 2.383 135 E HA 0.475 4.825 4.350 -0.000 0.000 0.275 135 E C -1.284 175.383 176.600 0.111 0.000 0.918 135 E CA -1.017 55.493 56.400 0.183 0.000 0.764 135 E CB 2.125 32.037 29.700 0.354 0.000 1.252 135 E HN 0.599 nan 8.360 nan 0.000 0.449 136 N N 1.277 120.012 118.700 0.058 0.000 2.530 136 N HA 0.003 4.742 4.740 -0.000 0.000 0.273 136 N C 0.466 175.984 175.510 0.012 0.000 1.173 136 N CA 0.137 53.170 53.050 -0.028 0.000 0.967 136 N CB 1.314 39.750 38.487 -0.086 0.000 1.109 136 N HN 0.684 nan 8.380 nan 0.000 0.453 137 T N -3.419 111.111 114.554 -0.041 0.000 3.060 137 T HA 0.035 4.385 4.350 -0.000 0.000 0.249 137 T C -0.058 174.642 174.700 0.000 0.000 1.079 137 T CA -0.076 62.013 62.100 -0.019 0.000 1.013 137 T CB 0.032 68.860 68.868 -0.067 0.000 0.975 137 T HN 0.566 nan 8.240 nan 0.000 0.518 138 D N 1.834 122.235 120.400 0.001 0.000 2.549 138 D HA 0.291 4.931 4.640 -0.000 0.000 0.251 138 D C -1.837 174.558 176.300 0.158 0.000 1.153 138 D CA -2.504 51.566 54.000 0.117 0.000 0.861 138 D CB 2.659 43.575 40.800 0.193 0.000 1.207 138 D HN -0.153 nan 8.370 nan 0.000 0.543 139 P HA -0.208 nan 4.420 nan 0.000 0.218 139 P C 0.782 178.242 177.300 0.267 0.000 1.147 139 P CA 1.066 64.266 63.100 0.166 0.000 0.827 139 P CB 0.662 32.429 31.700 0.112 0.000 0.778 140 E N -0.828 119.566 120.200 0.325 0.000 2.158 140 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 140 E C 1.328 178.251 176.600 0.540 0.000 0.982 140 E CA 0.577 57.235 56.400 0.429 0.000 0.823 140 E CB -0.733 29.200 29.700 0.388 0.000 0.766 140 E HN 0.276 nan 8.360 nan 0.000 0.468 141 C N 2.252 121.707 119.300 0.258 0.000 2.319 141 C HA 0.112 4.571 4.460 -0.000 0.000 0.350 141 C C 1.832 176.531 174.990 -0.485 0.000 1.326 141 C CA -0.860 57.999 59.018 -0.265 0.000 1.737 141 C CB -2.444 25.078 27.740 -0.364 0.000 1.988 141 C HN 0.452 nan 8.230 nan 0.000 0.582 142 Y N -0.270 119.960 120.300 -0.117 0.000 2.274 142 Y HA -0.170 4.380 4.550 -0.000 0.000 0.290 142 Y C 2.207 177.989 175.900 -0.197 0.000 1.145 142 Y CA 1.345 59.361 58.100 -0.140 0.000 1.203 142 Y CB -0.887 37.526 38.460 -0.079 0.000 0.984 142 Y HN 0.626 nan 8.280 nan 0.000 0.533 143 W N 0.892 121.471 121.300 -1.202 0.000 2.699 143 W HA 0.024 4.683 4.660 -0.000 0.000 0.249 143 W C 1.355 177.763 176.519 -0.185 0.000 1.280 143 W CA 0.140 57.121 57.345 -0.607 0.000 1.345 143 W CB -0.975 28.117 29.460 -0.614 0.000 1.128 143 W HN 0.268 nan 8.180 nan 0.000 0.642 144 L N 1.493 122.005 121.223 -1.184 0.000 2.131 144 L HA -0.139 4.200 4.340 -0.000 0.000 0.206 144 L C 2.547 179.276 176.870 -0.235 0.000 1.087 144 L CA 1.789 56.060 54.840 -0.949 0.000 0.767 144 L CB -0.652 40.712 42.059 -1.158 0.000 0.917 144 L HN -0.127 nan 8.230 nan 0.000 0.441 145 T N 0.168 114.630 114.554 -0.154 0.000 2.592 145 T HA -0.296 4.054 4.350 -0.000 0.000 0.267 145 T C 1.395 176.227 174.700 0.219 0.000 1.060 145 T CA 2.297 64.440 62.100 0.071 0.000 1.167 145 T CB -0.451 68.479 68.868 0.103 0.000 0.863 145 T HN 0.505 nan 8.240 nan 0.000 0.431 146 N N -0.428 118.433 118.700 0.268 0.000 2.412 146 N HA 0.010 4.750 4.740 -0.000 0.000 0.184 146 N C 1.516 177.163 175.510 0.228 0.000 1.101 146 N CA -0.116 53.113 53.050 0.298 0.000 0.881 146 N CB 0.078 38.805 38.487 0.400 0.000 0.969 146 N HN 0.492 nan 8.380 nan 0.000 0.459 147 W N 3.056 124.418 121.300 0.104 0.000 2.358 147 W HA -0.081 4.579 4.660 -0.000 0.000 0.303 147 W C 1.349 177.913 176.519 0.076 0.000 1.208 147 W CA 0.987 58.421 57.345 0.148 0.000 1.274 147 W CB -0.030 29.551 29.460 0.201 0.000 1.138 147 W HN -0.008 nan 8.180 nan 0.000 0.515 148 I N -0.414 120.328 120.570 0.286 0.000 3.749 148 I HA 0.054 4.224 4.170 -0.000 0.000 0.314 148 I C 1.826 177.833 176.117 -0.182 0.000 1.267 148 I CA 0.723 62.090 61.300 0.112 0.000 1.169 148 I CB -0.733 37.325 38.000 0.096 0.000 1.009 148 I HN 0.008 nan 8.210 nan 0.000 0.444 149 E N 2.316 122.322 120.200 -0.323 0.000 2.017 149 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 149 E C 1.769 178.143 176.600 -0.376 0.000 0.997 149 E CA 2.543 58.469 56.400 -0.790 0.000 0.804 149 E CB -0.207 29.138 29.700 -0.592 0.000 0.757 149 E HN 0.495 nan 8.360 nan 0.000 0.448 150 T N 2.110 116.566 114.554 -0.163 0.000 2.592 150 T HA -0.257 4.092 4.350 -0.000 0.000 0.267 150 T C 1.947 176.623 174.700 -0.040 0.000 1.060 150 T CA 1.768 63.839 62.100 -0.049 0.000 1.167 150 T CB -0.542 68.309 68.868 -0.028 0.000 0.863 150 T HN 0.335 nan 8.240 nan 0.000 0.431 151 I N 0.305 120.832 120.570 -0.071 0.000 2.335 151 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 151 I C 1.989 178.028 176.117 -0.130 0.000 1.129 151 I CA 1.397 62.633 61.300 -0.107 0.000 1.402 151 I CB -0.059 37.887 38.000 -0.089 0.000 1.069 151 I HN 0.250 nan 8.210 nan 0.000 0.424 152 L N -0.532 120.614 121.223 -0.128 0.000 2.209 152 L HA -0.092 4.247 4.340 -0.000 0.000 0.207 152 L C 2.342 179.253 176.870 0.069 0.000 1.094 152 L CA 0.383 55.155 54.840 -0.114 0.000 0.790 152 L CB -0.258 41.712 42.059 -0.147 0.000 0.932 152 L HN 0.046 nan 8.230 nan 0.000 0.447 153 V N -0.397 119.615 119.914 0.164 0.000 2.759 153 V HA -0.253 3.867 4.120 -0.000 0.000 0.256 153 V C 2.249 178.637 176.094 0.489 0.000 1.080 153 V CA 1.299 63.863 62.300 0.439 0.000 1.101 153 V CB -0.560 31.485 31.823 0.370 0.000 0.698 153 V HN 0.513 nan 8.190 nan 0.000 0.477 154 Q N 0.468 120.423 119.800 0.258 0.000 2.443 154 Q HA -0.166 4.174 4.340 -0.000 0.000 0.213 154 Q C 2.289 178.219 176.000 -0.116 0.000 0.982 154 Q CA 1.520 57.417 55.803 0.157 0.000 0.894 154 Q CB -0.260 28.479 28.738 0.001 0.000 0.947 154 Q HN 0.844 nan 8.270 nan 0.000 0.480 155 S N 0.258 115.934 115.700 -0.039 0.000 2.515 155 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 155 S C 1.570 176.096 174.600 -0.125 0.000 0.987 155 S CA 0.231 58.324 58.200 -0.179 0.000 0.936 155 S CB -0.703 62.359 63.200 -0.230 0.000 0.766 155 S HN 0.663 nan 8.310 nan 0.000 0.528 156 W N 0.947 122.371 121.300 0.206 0.000 2.350 156 W HA -0.226 4.434 4.660 -0.000 0.000 0.289 156 W C 1.752 178.380 176.519 0.181 0.000 1.215 156 W CA 0.813 58.339 57.345 0.301 0.000 1.236 156 W CB -1.178 28.471 29.460 0.314 0.000 1.130 156 W HN 0.362 nan 8.180 nan 0.000 0.541 157 Y N 4.339 123.653 120.300 -1.644 0.000 2.070 157 Y HA -0.138 4.412 4.550 -0.000 0.000 0.279 157 Y C -0.050 175.466 175.900 -0.640 0.000 1.134 157 Y CA 2.308 59.405 58.100 -1.672 0.000 1.113 157 Y CB -1.987 35.497 38.460 -1.626 0.000 0.981 157 Y HN -0.243 nan 8.280 nan 0.000 0.487 158 P HA -0.207 nan 4.420 nan 0.000 0.218 158 P C 1.755 178.887 177.300 -0.281 0.000 1.146 158 P CA 2.006 64.806 63.100 -0.500 0.000 0.813 158 P CB -0.167 31.283 31.700 -0.417 0.000 0.778 159 I N -0.193 120.231 120.570 -0.242 0.000 2.133 159 I HA -0.192 3.977 4.170 -0.000 0.000 0.238 159 I C 2.443 178.506 176.117 -0.090 0.000 1.074 159 I CA 1.837 63.081 61.300 -0.092 0.000 1.342 159 I CB -1.302 36.727 38.000 0.049 0.000 1.053 159 I HN -0.017 nan 8.210 nan 0.000 0.404 160 T N 0.896 115.410 114.554 -0.065 0.000 2.635 160 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 160 T C 1.967 176.573 174.700 -0.158 0.000 1.040 160 T CA 1.795 63.871 62.100 -0.040 0.000 1.156 160 T CB -0.499 68.487 68.868 0.195 0.000 0.863 160 T HN 0.105 nan 8.240 nan 0.000 0.430 161 V N 2.062 121.796 119.914 -0.300 0.000 2.233 161 V HA -0.215 3.904 4.120 -0.000 0.000 0.247 161 V C 2.951 178.939 176.094 -0.176 0.000 1.050 161 V CA 1.813 63.942 62.300 -0.284 0.000 1.010 161 V CB -1.508 30.015 31.823 -0.500 0.000 0.637 161 V HN 0.563 nan 8.190 nan 0.000 0.444 162 A N 0.050 122.763 122.820 -0.179 0.000 1.927 162 A HA -0.289 4.030 4.320 -0.000 0.000 0.220 162 A C 2.387 179.887 177.584 -0.140 0.000 1.185 162 A CA 2.925 54.870 52.037 -0.153 0.000 0.639 162 A CB -1.161 17.770 19.000 -0.116 0.000 0.820 162 A HN 0.561 nan 8.150 nan 0.000 0.451 163 T N 0.098 114.569 114.554 -0.138 0.000 2.701 163 T HA -0.140 4.209 4.350 -0.000 0.000 0.263 163 T C 1.993 176.591 174.700 -0.171 0.000 1.040 163 T CA 1.220 63.225 62.100 -0.159 0.000 1.147 163 T CB -0.437 68.307 68.868 -0.207 0.000 0.865 163 T HN 0.596 nan 8.240 nan 0.000 0.426 164 N N 0.727 119.306 118.700 -0.201 0.000 2.223 164 N HA -0.085 4.655 4.740 -0.000 0.000 0.185 164 N C 2.086 177.596 175.510 0.001 0.000 1.016 164 N CA 1.068 54.044 53.050 -0.124 0.000 0.863 164 N CB -0.198 38.239 38.487 -0.083 0.000 0.983 164 N HN 0.229 nan 8.380 nan 0.000 0.429 165 S N 0.595 116.299 115.700 0.006 0.000 2.345 165 S HA -0.073 4.397 4.470 -0.000 0.000 0.220 165 S C 1.930 176.620 174.600 0.150 0.000 1.031 165 S CA 0.839 59.114 58.200 0.126 0.000 0.996 165 S CB -0.138 63.127 63.200 0.108 0.000 0.882 165 S HN 0.426 nan 8.310 nan 0.000 0.445 166 R N 0.448 120.937 120.500 -0.019 0.000 2.193 166 R HA -0.017 4.322 4.340 -0.000 0.000 0.229 166 R C 1.593 177.881 176.300 -0.020 0.000 1.110 166 R CA 1.250 57.295 56.100 -0.092 0.000 0.988 166 R CB -0.049 30.166 30.300 -0.142 0.000 0.871 166 R HN 0.266 nan 8.270 nan 0.000 0.458 167 E N 0.431 120.647 120.200 0.028 0.000 2.230 167 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 167 E C 1.670 178.324 176.600 0.090 0.000 0.987 167 E CA 0.855 57.301 56.400 0.076 0.000 0.841 167 E CB 0.158 29.949 29.700 0.151 0.000 0.783 167 E HN 0.547 nan 8.360 nan 0.000 0.481 168 Q N 0.166 120.031 119.800 0.108 0.000 2.269 168 Q HA 0.007 4.346 4.340 -0.000 0.000 0.201 168 Q C 2.035 178.135 176.000 0.167 0.000 0.946 168 Q CA 0.619 56.476 55.803 0.090 0.000 0.877 168 Q CB 0.118 28.887 28.738 0.053 0.000 0.963 168 Q HN 0.055 nan 8.270 nan 0.000 0.472 169 K N 1.540 122.100 120.400 0.266 0.000 2.057 169 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 169 K C 1.757 178.404 176.600 0.078 0.000 1.050 169 K CA 1.099 57.529 56.287 0.238 0.000 0.935 169 K CB 0.203 32.569 32.500 -0.223 0.000 0.715 169 K HN -0.005 nan 8.250 nan 0.000 0.439 170 K N 0.499 120.922 120.400 0.040 0.000 2.063 170 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 170 K C 2.109 178.752 176.600 0.071 0.000 1.048 170 K CA 1.658 57.967 56.287 0.036 0.000 0.928 170 K CB -0.188 32.333 32.500 0.034 0.000 0.713 170 K HN 0.194 nan 8.250 nan 0.000 0.442 171 I N 1.189 121.802 120.570 0.072 0.000 2.226 171 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 171 I C 2.214 178.389 176.117 0.098 0.000 1.100 171 I CA 1.245 62.593 61.300 0.080 0.000 1.374 171 I CB -0.243 37.745 38.000 -0.021 0.000 1.057 171 I HN 0.134 nan 8.210 nan 0.000 0.413 172 L N 0.270 121.527 121.223 0.056 0.000 2.056 172 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 172 L C 2.841 179.781 176.870 0.117 0.000 1.078 172 L CA 1.221 56.103 54.840 0.070 0.000 0.749 172 L CB -0.718 41.403 42.059 0.104 0.000 0.901 172 L HN 0.227 nan 8.230 nan 0.000 0.433 173 A N 0.310 123.187 122.820 0.096 0.000 1.845 173 A HA -0.278 4.042 4.320 -0.000 0.000 0.215 173 A C 2.273 179.898 177.584 0.068 0.000 1.195 173 A CA 2.084 54.160 52.037 0.064 0.000 0.616 173 A CB -0.556 18.460 19.000 0.027 0.000 0.832 173 A HN 0.218 nan 8.150 nan 0.000 0.443 174 K N -1.065 119.387 120.400 0.088 0.000 2.049 174 K HA -0.241 4.079 4.320 -0.000 0.000 0.219 174 K C 1.688 178.284 176.600 -0.007 0.000 1.056 174 K CA 2.508 58.825 56.287 0.050 0.000 0.946 174 K CB -0.690 31.883 32.500 0.122 0.000 0.723 174 K HN 0.573 nan 8.250 nan 0.000 0.453 175 Y N -0.196 120.086 120.300 -0.030 0.000 2.286 175 Y HA 0.046 4.596 4.550 -0.000 0.000 0.293 175 Y C 2.098 177.952 175.900 -0.077 0.000 1.124 175 Y CA 0.846 58.913 58.100 -0.054 0.000 1.178 175 Y CB -0.267 38.169 38.460 -0.039 0.000 1.010 175 Y HN 0.051 nan 8.280 nan 0.000 0.536 176 L N -0.756 120.537 121.223 0.116 0.000 2.012 176 L HA -0.240 4.099 4.340 -0.000 0.000 0.210 176 L C 2.276 179.141 176.870 -0.008 0.000 1.073 176 L CA 1.107 55.978 54.840 0.052 0.000 0.748 176 L CB -0.419 41.683 42.059 0.072 0.000 0.891 176 L HN 0.268 nan 8.230 nan 0.000 0.431 177 L N 0.819 122.036 121.223 -0.009 0.000 1.943 177 L HA -0.237 4.103 4.340 -0.000 0.000 0.215 177 L C 1.704 178.530 176.870 -0.072 0.000 1.074 177 L CA 2.067 56.888 54.840 -0.033 0.000 0.759 177 L CB -0.725 41.317 42.059 -0.029 0.000 0.888 177 L HN 0.451 nan 8.230 nan 0.000 0.433 178 E N -1.730 118.401 120.200 -0.115 0.000 2.467 178 E HA 0.070 4.420 4.350 -0.000 0.000 0.321 178 E C 0.121 176.551 176.600 -0.283 0.000 1.388 178 E CA 0.659 56.969 56.400 -0.150 0.000 1.508 178 E CB -0.258 29.336 29.700 -0.176 0.000 1.250 178 E HN 0.419 nan 8.360 nan 0.000 0.500 179 T N -0.966 113.412 114.554 -0.293 0.000 3.384 179 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 179 T C 1.010 175.583 174.700 -0.212 0.000 0.852 179 T CA 0.394 62.135 62.100 -0.598 0.000 0.813 179 T CB -0.075 68.406 68.868 -0.645 0.000 1.220 179 T HN 0.385 nan 8.240 nan 0.000 0.742 180 S N 0.053 115.697 115.700 -0.093 0.000 2.679 180 S HA 0.503 4.972 4.470 -0.000 0.000 0.258 180 S C 1.643 176.241 174.600 -0.003 0.000 1.068 180 S CA 1.099 59.289 58.200 -0.018 0.000 1.115 180 S CB 0.776 63.974 63.200 -0.003 0.000 1.078 180 S HN 1.229 nan 8.310 nan 0.000 0.603 181 G N 2.437 111.228 108.800 -0.016 0.000 2.143 181 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.249 181 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.249 181 G C -0.136 174.762 174.900 -0.003 0.000 0.981 181 G CA 0.341 45.438 45.100 -0.005 0.000 0.665 181 G HN 1.160 nan 8.290 nan 0.000 0.528 182 N N -1.965 116.733 118.700 -0.003 0.000 3.427 182 N HA 0.360 5.100 4.740 -0.000 0.000 0.313 182 N C -0.322 175.194 175.510 0.010 0.000 1.491 182 N CA -0.721 52.331 53.050 0.003 0.000 0.870 182 N CB 0.446 38.937 38.487 0.007 0.000 1.763 182 N HN 0.227 nan 8.380 nan 0.000 0.502 183 L N 0.022 121.254 121.223 0.015 0.000 3.366 183 L HA 0.281 4.621 4.340 -0.000 0.000 0.304 183 L C -1.091 175.802 176.870 0.039 0.000 1.292 183 L CA -0.465 54.390 54.840 0.026 0.000 1.012 183 L CB 0.162 42.229 42.059 0.014 0.000 1.414 183 L HN 0.369 nan 8.230 nan 0.000 0.603 184 D N 1.914 122.335 120.400 0.036 0.000 2.389 184 D HA 0.236 4.875 4.640 -0.000 0.000 0.263 184 D C 1.361 177.704 176.300 0.071 0.000 1.255 184 D CA 1.119 55.145 54.000 0.044 0.000 0.914 184 D CB 1.133 41.950 40.800 0.028 0.000 1.116 184 D HN 0.407 nan 8.370 nan 0.000 0.502 185 G N 2.125 110.992 108.800 0.112 0.000 2.175 185 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.244 185 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.244 185 G C 0.815 175.843 174.900 0.214 0.000 0.982 185 G CA 0.077 45.290 45.100 0.188 0.000 0.641 185 G HN 0.538 nan 8.290 nan 0.000 0.527 186 L N 1.286 122.596 121.223 0.144 0.000 2.447 186 L HA 0.018 4.358 4.340 -0.000 0.000 0.225 186 L C 2.285 179.264 176.870 0.182 0.000 1.148 186 L CA 2.900 57.827 54.840 0.145 0.000 0.808 186 L CB -0.517 41.583 42.059 0.068 0.000 0.928 186 L HN 0.789 nan 8.230 nan 0.000 0.448 187 E N -2.197 118.084 120.200 0.135 0.000 2.474 187 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 187 E C -0.038 176.595 176.600 0.055 0.000 1.041 187 E CA 0.180 56.590 56.400 0.016 0.000 0.874 187 E CB -0.102 29.482 29.700 -0.194 0.000 0.914 187 E HN 0.483 nan 8.360 nan 0.000 0.498 188 Y N 0.327 120.770 120.300 0.239 0.000 2.480 188 Y HA 0.401 4.951 4.550 -0.000 0.000 0.356 188 Y C 0.469 176.460 175.900 0.150 0.000 0.922 188 Y CA -0.582 57.633 58.100 0.191 0.000 1.146 188 Y CB 0.934 39.471 38.460 0.129 0.000 1.185 188 Y HN -0.126 nan 8.280 nan 0.000 0.624 189 K N 0.263 120.806 120.400 0.239 0.000 2.502 189 K HA 0.395 4.714 4.320 -0.000 0.000 0.211 189 K C -0.623 175.975 176.600 -0.004 0.000 1.259 189 K CA 0.364 56.747 56.287 0.161 0.000 0.983 189 K CB 0.987 33.622 32.500 0.225 0.000 1.054 189 K HN 0.277 nan 8.250 nan 0.000 0.572 190 L N 1.786 122.803 121.223 -0.343 0.000 2.372 190 L HA 0.340 4.680 4.340 -0.000 0.000 0.273 190 L C -1.272 175.411 176.870 -0.312 0.000 0.989 190 L CA -0.717 53.821 54.840 -0.503 0.000 0.841 190 L CB 1.326 42.711 42.059 -1.123 0.000 1.225 190 L HN 0.213 nan 8.230 nan 0.000 0.414 191 H N 3.064 121.885 119.070 -0.414 0.000 2.459 191 H HA 0.166 4.722 4.556 -0.000 0.000 0.332 191 H C -1.154 173.728 175.328 -0.743 0.000 1.094 191 H CA -0.515 55.279 56.048 -0.423 0.000 1.224 191 H CB 2.040 31.595 29.762 -0.344 0.000 1.449 191 H HN 0.548 nan 8.280 nan 0.000 0.484 192 D N 3.716 123.726 120.400 -0.650 0.000 2.343 192 D HA -0.005 4.635 4.640 -0.000 0.000 0.255 192 D C -0.073 176.305 176.300 0.130 0.000 1.187 192 D CA -0.018 53.685 54.000 -0.495 0.000 0.875 192 D CB 0.184 40.609 40.800 -0.625 0.000 1.136 192 D HN 0.295 nan 8.370 nan 0.000 0.469 193 F N 1.736 121.667 119.950 -0.031 0.000 2.727 193 F HA 0.308 4.835 4.527 -0.000 0.000 0.302 193 F C 2.411 178.245 175.800 0.056 0.000 1.107 193 F CA -0.199 57.828 58.000 0.045 0.000 1.277 193 F CB -0.476 38.545 39.000 0.035 0.000 1.079 193 F HN 0.565 nan 8.300 nan 0.000 0.594 194 G N -0.627 108.301 108.800 0.213 0.000 2.842 194 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.203 194 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.203 194 G C 1.410 176.427 174.900 0.195 0.000 1.172 194 G CA 0.209 45.404 45.100 0.158 0.000 0.843 194 G HN 0.424 nan 8.290 nan 0.000 0.516 195 Y N 1.118 121.457 120.300 0.064 0.000 2.145 195 Y HA -0.229 4.321 4.550 -0.000 0.000 0.286 195 Y C 2.972 178.889 175.900 0.028 0.000 1.145 195 Y CA 1.418 59.541 58.100 0.038 0.000 1.148 195 Y CB 0.211 38.689 38.460 0.031 0.000 0.981 195 Y HN 0.399 nan 8.280 nan 0.000 0.507 196 R N -0.428 120.175 120.500 0.171 0.000 2.276 196 R HA 0.065 4.405 4.340 -0.000 0.000 0.203 196 R C 1.965 178.311 176.300 0.076 0.000 1.017 196 R CA 1.060 57.189 56.100 0.048 0.000 1.010 196 R CB -0.576 29.725 30.300 0.002 0.000 0.900 196 R HN 0.252 nan 8.270 nan 0.000 0.469 197 G N 1.529 110.397 108.800 0.114 0.000 2.603 197 G HA2 0.058 4.018 3.960 -0.000 0.000 0.214 197 G HA3 0.058 4.018 3.960 -0.000 0.000 0.214 197 G C 0.718 175.673 174.900 0.092 0.000 1.140 197 G CA 0.349 45.506 45.100 0.095 0.000 0.800 197 G HN 0.211 nan 8.290 nan 0.000 0.533 198 V N -0.341 119.640 119.914 0.112 0.000 3.185 198 V HA 0.418 4.538 4.120 -0.000 0.000 0.305 198 V C 1.529 177.656 176.094 0.056 0.000 1.090 198 V CA 0.440 62.791 62.300 0.085 0.000 1.107 198 V CB 1.214 33.090 31.823 0.089 0.000 1.061 198 V HN 0.213 nan 8.190 nan 0.000 0.480 199 S N 0.276 115.986 115.700 0.017 0.000 2.522 199 S HA 0.162 4.631 4.470 -0.000 0.000 0.227 199 S C 0.745 175.352 174.600 0.012 0.000 0.986 199 S CA 0.348 58.552 58.200 0.006 0.000 0.929 199 S CB -0.793 62.396 63.200 -0.018 0.000 0.769 199 S HN 1.826 nan 8.310 nan 0.000 0.529 200 S N -1.412 114.302 115.700 0.023 0.000 2.643 200 S HA 0.394 4.864 4.470 -0.000 0.000 0.266 200 S C -0.056 174.590 174.600 0.078 0.000 1.130 200 S CA -0.891 57.333 58.200 0.040 0.000 0.817 200 S CB 0.825 64.035 63.200 0.016 0.000 1.107 200 S HN -0.095 nan 8.310 nan 0.000 0.471 201 Q N 1.326 121.185 119.800 0.098 0.000 1.967 201 Q HA -0.124 4.215 4.340 -0.000 0.000 0.202 201 Q C 2.004 178.047 176.000 0.071 0.000 0.985 201 Q CA 2.367 58.258 55.803 0.147 0.000 0.839 201 Q CB -0.858 27.957 28.738 0.130 0.000 0.906 201 Q HN 0.970 nan 8.270 nan 0.000 0.423 202 E N -0.317 119.912 120.200 0.049 0.000 2.187 202 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 202 E C 1.586 178.164 176.600 -0.037 0.000 1.004 202 E CA 1.729 58.144 56.400 0.025 0.000 0.813 202 E CB 0.127 29.864 29.700 0.062 0.000 0.736 202 E HN 0.294 nan 8.360 nan 0.000 0.468 203 T N 0.219 114.747 114.554 -0.044 0.000 2.812 203 T HA -0.030 4.320 4.350 -0.000 0.000 0.264 203 T C 1.855 176.539 174.700 -0.027 0.000 1.042 203 T CA 1.142 63.191 62.100 -0.085 0.000 1.140 203 T CB -0.250 68.525 68.868 -0.154 0.000 0.870 203 T HN 0.378 nan 8.240 nan 0.000 0.445 204 A N 1.424 124.221 122.820 -0.040 0.000 1.933 204 A HA 0.117 4.436 4.320 -0.000 0.000 0.218 204 A C 2.555 180.001 177.584 -0.230 0.000 1.175 204 A CA 1.841 53.794 52.037 -0.139 0.000 0.628 204 A CB -1.322 17.521 19.000 -0.262 0.000 0.814 204 A HN 0.503 nan 8.150 nan 0.000 0.444 205 G N 0.121 108.801 108.800 -0.200 0.000 2.453 205 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.215 205 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.215 205 G C 1.543 176.306 174.900 -0.228 0.000 1.201 205 G CA 1.100 46.074 45.100 -0.211 0.000 0.784 205 G HN 0.448 nan 8.290 nan 0.000 0.545 206 I N 1.262 121.682 120.570 -0.250 0.000 2.099 206 I HA -0.152 4.018 4.170 -0.000 0.000 0.239 206 I C 3.105 179.132 176.117 -0.150 0.000 1.066 206 I CA 1.369 62.487 61.300 -0.304 0.000 1.324 206 I CB -0.530 37.308 38.000 -0.271 0.000 1.037 206 I HN 0.268 nan 8.210 nan 0.000 0.401 207 G N 0.049 108.844 108.800 -0.010 0.000 2.421 207 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 207 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 207 G C 1.842 176.678 174.900 -0.107 0.000 1.171 207 G CA 0.806 45.842 45.100 -0.106 0.000 0.775 207 G HN 0.507 nan 8.290 nan 0.000 0.543 208 A N 1.295 124.049 122.820 -0.109 0.000 1.940 208 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 208 A C 2.725 180.250 177.584 -0.097 0.000 1.176 208 A CA 2.692 54.659 52.037 -0.117 0.000 0.631 208 A CB -0.827 18.055 19.000 -0.196 0.000 0.814 208 A HN 0.848 nan 8.150 nan 0.000 0.446 209 S N -0.126 115.485 115.700 -0.148 0.000 2.442 209 S HA 0.100 4.569 4.470 -0.000 0.000 0.236 209 S C 1.909 176.430 174.600 -0.132 0.000 1.007 209 S CA 1.269 59.353 58.200 -0.194 0.000 0.965 209 S CB -0.443 62.625 63.200 -0.219 0.000 0.773 209 S HN 0.850 nan 8.310 nan 0.000 0.504 210 A N 1.827 124.603 122.820 -0.073 0.000 1.874 210 A HA -0.047 4.273 4.320 -0.000 0.000 0.214 210 A C 2.223 179.708 177.584 -0.164 0.000 1.189 210 A CA 1.257 53.201 52.037 -0.155 0.000 0.615 210 A CB -1.287 17.642 19.000 -0.118 0.000 0.830 210 A HN 0.762 nan 8.150 nan 0.000 0.443 211 H N 0.277 119.263 119.070 -0.140 0.000 2.387 211 H HA -0.032 4.524 4.556 -0.000 0.000 0.299 211 H C 1.611 176.927 175.328 -0.019 0.000 1.099 211 H CA 1.644 57.657 56.048 -0.057 0.000 1.315 211 H CB -0.152 29.570 29.762 -0.067 0.000 1.380 211 H HN 0.394 nan 8.280 nan 0.000 0.513 212 L N 0.716 121.933 121.223 -0.008 0.000 2.549 212 L HA -0.099 4.241 4.340 -0.000 0.000 0.229 212 L C 2.494 179.351 176.870 -0.022 0.000 1.158 212 L CA 0.012 54.865 54.840 0.022 0.000 0.842 212 L CB -0.032 42.073 42.059 0.076 0.000 0.952 212 L HN 0.130 nan 8.230 nan 0.000 0.452 213 V N 0.057 119.842 119.914 -0.216 0.000 2.548 213 V HA -0.167 3.953 4.120 -0.000 0.000 0.249 213 V C 1.637 177.427 176.094 -0.507 0.000 1.055 213 V CA 1.542 63.511 62.300 -0.551 0.000 1.065 213 V CB -0.329 31.104 31.823 -0.651 0.000 0.681 213 V HN 0.613 nan 8.190 nan 0.000 0.462 214 N N -1.767 116.634 118.700 -0.498 0.000 2.181 214 N HA 0.227 4.967 4.740 -0.000 0.000 0.207 214 N C -0.292 174.566 175.510 -1.086 0.000 1.182 214 N CA 0.227 52.840 53.050 -0.728 0.000 0.893 214 N CB 1.153 39.202 38.487 -0.731 0.000 1.032 214 N HN 0.412 nan 8.380 nan 0.000 0.513 215 F N -0.105 119.542 119.950 -0.505 0.000 2.645 215 F HA 0.402 4.929 4.527 -0.000 0.000 0.310 215 F C 0.928 176.503 175.800 -0.376 0.000 1.102 215 F CA -0.869 56.850 58.000 -0.469 0.000 0.952 215 F CB 2.198 40.861 39.000 -0.561 0.000 1.326 215 F HN -0.423 nan 8.300 nan 0.000 0.456 216 K N 0.444 120.693 120.400 -0.251 0.000 2.373 216 K HA 0.263 4.583 4.320 -0.000 0.000 0.202 216 K C 0.328 176.864 176.600 -0.105 0.000 1.025 216 K CA -0.136 56.000 56.287 -0.251 0.000 1.115 216 K CB 0.966 33.168 32.500 -0.497 0.000 0.858 216 K HN 0.709 nan 8.250 nan 0.000 0.525 217 G N 0.918 109.685 108.800 -0.055 0.000 2.607 217 G HA2 0.189 4.149 3.960 -0.000 0.000 0.332 217 G HA3 0.189 4.149 3.960 -0.000 0.000 0.332 217 G C -0.821 173.738 174.900 -0.570 0.000 1.046 217 G CA 0.007 45.061 45.100 -0.076 0.000 1.099 217 G HN -0.071 nan 8.290 nan 0.000 0.451 218 T N 0.716 114.942 114.554 -0.548 0.000 2.900 218 T HA 0.427 4.777 4.350 -0.000 0.000 0.295 218 T C -0.304 174.325 174.700 -0.118 0.000 1.044 218 T CA -0.449 61.392 62.100 -0.431 0.000 0.995 218 T CB 2.233 71.020 68.868 -0.135 0.000 1.072 218 T HN 0.281 nan 8.240 nan 0.000 0.473 219 D N 0.851 121.351 120.400 0.167 0.000 2.479 219 D HA 0.218 4.858 4.640 -0.000 0.000 0.221 219 D C 0.244 176.669 176.300 0.208 0.000 1.104 219 D CA 0.205 54.414 54.000 0.348 0.000 0.849 219 D CB 0.712 41.808 40.800 0.493 0.000 1.072 219 D HN 0.489 nan 8.370 nan 0.000 0.502 220 T N 1.651 116.271 114.554 0.110 0.000 3.185 220 T HA 0.067 4.416 4.350 -0.000 0.000 0.287 220 T C 1.944 176.551 174.700 -0.155 0.000 1.051 220 T CA -0.107 61.969 62.100 -0.040 0.000 1.051 220 T CB 0.644 69.382 68.868 -0.216 0.000 1.034 220 T HN 0.037 nan 8.240 nan 0.000 0.685 221 V N 1.686 121.604 119.914 0.005 0.000 2.439 221 V HA -0.253 3.867 4.120 -0.000 0.000 0.253 221 V C 2.669 178.692 176.094 -0.119 0.000 1.074 221 V CA 1.778 64.069 62.300 -0.015 0.000 1.076 221 V CB -1.671 30.205 31.823 0.088 0.000 0.664 221 V HN 0.761 nan 8.190 nan 0.000 0.461 222 A N 1.864 124.512 122.820 -0.286 0.000 1.882 222 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 222 A C 2.531 179.992 177.584 -0.204 0.000 1.253 222 A CA 3.082 54.951 52.037 -0.280 0.000 0.664 222 A CB -1.809 16.867 19.000 -0.541 0.000 0.838 222 A HN 0.887 nan 8.150 nan 0.000 0.460 223 G N -0.652 108.002 108.800 -0.243 0.000 2.517 223 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.222 223 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.222 223 G C 1.459 176.231 174.900 -0.213 0.000 1.109 223 G CA 1.182 46.152 45.100 -0.217 0.000 0.746 223 G HN 0.559 nan 8.290 nan 0.000 0.576 224 I N 1.033 121.498 120.570 -0.174 0.000 2.163 224 I HA -0.157 4.012 4.170 -0.000 0.000 0.240 224 I C 3.312 179.359 176.117 -0.116 0.000 1.081 224 I CA 0.929 62.131 61.300 -0.164 0.000 1.353 224 I CB -0.433 37.490 38.000 -0.128 0.000 1.054 224 I HN 0.257 nan 8.210 nan 0.000 0.407 225 A N 1.181 123.963 122.820 -0.064 0.000 1.849 225 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 225 A C 2.378 179.985 177.584 0.039 0.000 1.202 225 A CA 1.983 54.015 52.037 -0.008 0.000 0.629 225 A CB -1.247 17.764 19.000 0.019 0.000 0.834 225 A HN 0.442 nan 8.150 nan 0.000 0.447 226 L N -0.473 120.782 121.223 0.053 0.000 2.054 226 L HA -0.281 4.058 4.340 -0.000 0.000 0.220 226 L C 2.445 179.426 176.870 0.185 0.000 1.081 226 L CA 2.143 57.078 54.840 0.158 0.000 0.780 226 L CB -0.265 41.753 42.059 -0.069 0.000 0.893 226 L HN 0.541 nan 8.230 nan 0.000 0.438 227 I N -0.733 119.798 120.570 -0.065 0.000 2.133 227 I HA -0.326 3.844 4.170 -0.000 0.000 0.238 227 I C 2.552 178.677 176.117 0.012 0.000 1.074 227 I CA 1.582 62.770 61.300 -0.186 0.000 1.342 227 I CB -0.367 37.222 38.000 -0.684 0.000 1.053 227 I HN 0.206 nan 8.210 nan 0.000 0.404 228 K N 0.755 121.138 120.400 -0.029 0.000 2.074 228 K HA -0.269 4.051 4.320 -0.000 0.000 0.209 228 K C 2.184 178.799 176.600 0.024 0.000 1.048 228 K CA 1.644 57.936 56.287 0.008 0.000 0.926 228 K CB -0.221 32.268 32.500 -0.017 0.000 0.713 228 K HN 0.209 nan 8.250 nan 0.000 0.444 229 K N -0.123 120.294 120.400 0.028 0.000 2.097 229 K HA -0.158 4.161 4.320 -0.000 0.000 0.205 229 K C 1.401 177.844 176.600 -0.262 0.000 1.050 229 K CA 1.497 57.724 56.287 -0.099 0.000 0.938 229 K CB 0.078 32.531 32.500 -0.078 0.000 0.718 229 K HN 0.157 nan 8.250 nan 0.000 0.442 230 Y N -2.268 118.086 120.300 0.090 0.000 2.535 230 Y HA 0.099 4.649 4.550 -0.000 0.000 0.266 230 Y C 1.026 176.876 175.900 -0.084 0.000 1.088 230 Y CA 0.146 58.265 58.100 0.032 0.000 1.285 230 Y CB 0.547 39.094 38.460 0.144 0.000 1.166 230 Y HN 0.009 nan 8.280 nan 0.000 0.525 231 Y N -0.682 119.736 120.300 0.198 0.000 2.581 231 Y HA 0.455 5.004 4.550 -0.000 0.000 0.271 231 Y C 1.332 177.328 175.900 0.160 0.000 1.100 231 Y CA -0.000 58.230 58.100 0.217 0.000 1.281 231 Y CB 0.403 39.062 38.460 0.332 0.000 1.237 231 Y HN -0.065 nan 8.280 nan 0.000 0.514 232 G N 0.980 109.924 108.800 0.240 0.000 2.854 232 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.686 232 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.686 232 G C -0.469 174.551 174.900 0.201 0.000 1.202 232 G CA 0.060 45.251 45.100 0.152 0.000 0.878 232 G HN 0.139 nan 8.290 nan 0.000 0.583 233 T N 2.171 116.808 114.554 0.139 0.000 2.991 233 T HA 0.519 4.869 4.350 -0.000 0.000 0.303 233 T C 1.219 175.980 174.700 0.102 0.000 1.015 233 T CA -0.547 61.647 62.100 0.155 0.000 1.007 233 T CB 1.436 70.397 68.868 0.154 0.000 1.034 233 T HN 0.573 nan 8.240 nan 0.000 0.446 234 K N 1.537 121.995 120.400 0.098 0.000 2.103 234 K HA 0.077 4.396 4.320 -0.000 0.000 0.204 234 K C 0.705 177.351 176.600 0.077 0.000 1.052 234 K CA 0.851 57.183 56.287 0.075 0.000 0.945 234 K CB 0.048 32.588 32.500 0.066 0.000 0.722 234 K HN 0.616 nan 8.250 nan 0.000 0.443 235 D N 1.887 122.344 120.400 0.095 0.000 2.364 235 D HA -0.025 4.615 4.640 -0.000 0.000 0.236 235 D C -2.171 174.197 176.300 0.113 0.000 1.221 235 D CA -0.785 53.284 54.000 0.115 0.000 0.891 235 D CB -0.018 40.869 40.800 0.145 0.000 1.190 235 D HN 0.075 nan 8.370 nan 0.000 0.449 236 P HA 0.065 nan 4.420 nan 0.000 0.268 236 P C -0.423 176.912 177.300 0.057 0.000 1.541 236 P CA -0.089 63.084 63.100 0.122 0.000 1.093 236 P CB 0.261 32.062 31.700 0.169 0.000 1.551 237 V N 4.468 124.364 119.914 -0.030 0.000 3.553 237 V HA -0.188 3.932 4.120 -0.000 0.000 0.508 237 V C -0.955 175.014 176.094 -0.208 0.000 0.682 237 V CA -0.178 62.024 62.300 -0.164 0.000 2.060 237 V CB -0.982 30.662 31.823 -0.299 0.000 2.485 237 V HN 0.389 nan 8.190 nan 0.000 0.510 238 P HA -0.042 nan 4.420 nan 0.000 0.210 238 P C 0.713 177.948 177.300 -0.109 0.000 1.189 238 P CA 2.182 65.243 63.100 -0.065 0.000 0.920 238 P CB 0.307 31.933 31.700 -0.122 0.000 0.782 239 G N -2.192 106.478 108.800 -0.216 0.000 2.601 239 G HA2 0.573 4.533 3.960 -0.000 0.000 0.317 239 G HA3 0.573 4.533 3.960 -0.000 0.000 0.317 239 G C -1.379 173.286 174.900 -0.392 0.000 1.246 239 G CA -0.419 44.606 45.100 -0.126 0.000 1.012 239 G HN 0.063 nan 8.290 nan 0.000 0.494 240 Y N -1.491 118.893 120.300 0.139 0.000 2.790 240 Y HA 0.794 5.343 4.550 -0.000 0.000 0.323 240 Y C 0.456 176.484 175.900 0.214 0.000 1.230 240 Y CA -0.941 57.265 58.100 0.177 0.000 1.121 240 Y CB 2.048 40.646 38.460 0.230 0.000 1.328 240 Y HN 0.713 nan 8.280 nan 0.000 0.514 241 S N -0.123 115.809 115.700 0.387 0.000 2.588 241 S HA 0.785 5.255 4.470 -0.000 0.000 0.269 241 S C -1.986 172.749 174.600 0.224 0.000 1.157 241 S CA -0.514 57.907 58.200 0.369 0.000 0.824 241 S CB 1.137 64.516 63.200 0.297 0.000 1.126 241 S HN 1.047 nan 8.310 nan 0.000 0.464 242 V N 0.991 120.985 119.914 0.132 0.000 2.823 242 V HA 0.856 4.976 4.120 -0.000 0.000 0.312 242 V C -2.697 173.343 176.094 -0.089 0.000 1.072 242 V CA -2.251 60.060 62.300 0.018 0.000 0.937 242 V CB 1.453 33.264 31.823 -0.020 0.000 1.013 242 V HN 0.816 nan 8.190 nan 0.000 0.430 243 P HA 0.436 nan 4.420 nan 0.000 0.264 243 P C -0.422 176.602 177.300 -0.459 0.000 1.193 243 P CA 0.464 63.322 63.100 -0.402 0.000 0.763 243 P CB 1.105 32.355 31.700 -0.750 0.000 0.810 244 A N 2.467 125.052 122.820 -0.393 0.000 2.539 244 A HA 0.717 5.036 4.320 -0.000 0.000 0.296 244 A C -0.632 176.794 177.584 -0.262 0.000 1.073 244 A CA -0.625 51.218 52.037 -0.322 0.000 0.700 244 A CB 1.636 20.473 19.000 -0.272 0.000 1.296 244 A HN 0.611 nan 8.150 nan 0.000 0.405 245 A N 0.533 123.236 122.820 -0.195 0.000 2.271 245 A HA 0.707 5.026 4.320 -0.000 0.000 0.288 245 A C 0.163 177.654 177.584 -0.155 0.000 1.094 245 A CA 0.192 52.166 52.037 -0.106 0.000 0.828 245 A CB 0.305 19.299 19.000 -0.009 0.000 1.091 245 A HN 1.079 nan 8.150 nan 0.000 0.493 246 E N -0.433 119.699 120.200 -0.115 0.000 2.393 246 E HA 0.376 4.726 4.350 -0.000 0.000 0.265 246 E C -0.228 176.279 176.600 -0.155 0.000 0.941 246 E CA -0.778 55.515 56.400 -0.179 0.000 0.801 246 E CB 0.399 30.044 29.700 -0.092 0.000 1.313 246 E HN 0.654 nan 8.360 nan 0.000 0.435 247 H N 0.312 119.369 119.070 -0.021 0.000 2.422 247 H HA -0.130 4.425 4.556 -0.000 0.000 0.298 247 H C 2.157 177.494 175.328 0.016 0.000 1.098 247 H CA 2.173 58.208 56.048 -0.022 0.000 1.315 247 H CB 0.045 29.775 29.762 -0.054 0.000 1.382 247 H HN 0.635 nan 8.280 nan 0.000 0.523 248 S N 0.702 116.477 115.700 0.124 0.000 2.387 248 S HA -0.114 4.356 4.470 -0.000 0.000 0.226 248 S C 2.125 176.813 174.600 0.147 0.000 1.026 248 S CA 1.315 59.581 58.200 0.110 0.000 0.972 248 S CB -0.701 62.542 63.200 0.072 0.000 0.814 248 S HN 0.511 nan 8.310 nan 0.000 0.477 249 T N -0.849 113.795 114.554 0.151 0.000 3.308 249 T HA 0.303 4.653 4.350 -0.000 0.000 0.255 249 T C 1.185 176.107 174.700 0.370 0.000 1.162 249 T CA 0.137 62.389 62.100 0.252 0.000 1.031 249 T CB -0.372 68.621 68.868 0.208 0.000 0.973 249 T HN 0.418 nan 8.240 nan 0.000 0.544 250 I N 0.908 121.655 120.570 0.295 0.000 4.578 250 I HA 0.063 4.232 4.170 -0.000 0.000 0.312 250 I C 2.356 178.663 176.117 0.316 0.000 1.224 250 I CA 1.098 62.547 61.300 0.249 0.000 1.318 250 I CB -0.709 37.366 38.000 0.125 0.000 1.388 250 I HN 0.403 nan 8.210 nan 0.000 0.461 251 T N -0.206 114.499 114.554 0.251 0.000 3.055 251 T HA 0.136 4.486 4.350 -0.000 0.000 0.265 251 T C 1.786 176.642 174.700 0.259 0.000 1.111 251 T CA 0.929 63.194 62.100 0.274 0.000 1.118 251 T CB -0.121 68.848 68.868 0.169 0.000 0.909 251 T HN 0.177 nan 8.240 nan 0.000 0.501 252 A N 0.463 123.431 122.820 0.247 0.000 2.119 252 A HA 0.163 4.482 4.320 -0.000 0.000 0.217 252 A C 1.461 179.076 177.584 0.052 0.000 1.153 252 A CA 0.210 52.309 52.037 0.102 0.000 0.692 252 A CB -0.972 18.032 19.000 0.007 0.000 0.799 252 A HN 0.725 nan 8.150 nan 0.000 0.458 253 W N 0.022 121.352 121.300 0.049 0.000 3.405 253 W HA 0.437 5.096 4.660 -0.001 0.000 0.300 253 W C 1.228 177.815 176.519 0.114 0.000 1.286 253 W CA 0.600 57.972 57.345 0.044 0.000 1.762 253 W CB -0.598 28.879 29.460 0.028 0.000 1.087 253 W HN 0.567 nan 8.180 nan 0.000 0.703 254 G N 0.793 109.750 108.800 0.261 0.000 2.755 254 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.686 254 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.686 254 G C 0.679 175.627 174.900 0.079 0.000 1.427 254 G CA -0.071 45.124 45.100 0.158 0.000 0.873 254 G HN 0.226 nan 8.290 nan 0.000 0.580 255 K N -0.310 120.034 120.400 -0.093 0.000 2.152 255 K HA -0.119 4.200 4.320 -0.000 0.000 0.206 255 K C 1.615 177.934 176.600 -0.469 0.000 1.048 255 K CA 2.113 58.108 56.287 -0.487 0.000 0.933 255 K CB -0.079 32.099 32.500 -0.537 0.000 0.721 255 K HN 0.529 nan 8.250 nan 0.000 0.447 256 D N -0.520 119.693 120.400 -0.311 0.000 2.271 256 D HA -0.066 4.574 4.640 -0.000 0.000 0.206 256 D C 0.749 176.857 176.300 -0.320 0.000 0.967 256 D CA 0.723 54.517 54.000 -0.344 0.000 0.867 256 D CB -0.010 40.562 40.800 -0.380 0.000 0.960 256 D HN 0.316 nan 8.370 nan 0.000 0.509 257 H N 1.040 120.069 119.070 -0.068 0.000 2.708 257 H HA 0.117 4.672 4.556 -0.000 0.000 0.309 257 H C 1.395 176.641 175.328 -0.137 0.000 1.084 257 H CA 0.040 56.069 56.048 -0.032 0.000 1.165 257 H CB 0.157 30.001 29.762 0.138 0.000 1.388 257 H HN 0.356 nan 8.280 nan 0.000 0.553 258 E N 1.429 121.527 120.200 -0.170 0.000 2.110 258 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 258 E C 2.186 178.351 176.600 -0.724 0.000 0.988 258 E CA 0.764 56.924 56.400 -0.400 0.000 0.804 258 E CB 0.309 29.787 29.700 -0.370 0.000 0.745 258 E HN 0.336 nan 8.360 nan 0.000 0.458 259 K N 0.502 120.603 120.400 -0.498 0.000 2.057 259 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 259 K C 1.337 177.722 176.600 -0.358 0.000 1.049 259 K CA 2.012 58.036 56.287 -0.438 0.000 0.931 259 K CB -0.028 32.337 32.500 -0.225 0.000 0.714 259 K HN 0.057 nan 8.250 nan 0.000 0.440 260 D N 0.836 121.067 120.400 -0.283 0.000 2.092 260 D HA -0.186 4.454 4.640 -0.000 0.000 0.193 260 D C 1.857 177.678 176.300 -0.799 0.000 0.994 260 D CA 1.712 55.517 54.000 -0.324 0.000 0.828 260 D CB -0.303 40.444 40.800 -0.089 0.000 0.963 260 D HN 0.380 nan 8.370 nan 0.000 0.450 261 A N 0.744 122.842 122.820 -1.204 0.000 1.849 261 A HA -0.230 4.089 4.320 -0.000 0.000 0.217 261 A C 1.996 179.271 177.584 -0.515 0.000 1.202 261 A CA 1.399 52.508 52.037 -1.547 0.000 0.629 261 A CB -1.172 17.140 19.000 -1.147 0.000 0.834 261 A HN 0.117 nan 8.150 nan 0.000 0.447 262 F N -0.052 119.627 119.950 -0.453 0.000 2.027 262 F HA -0.223 4.303 4.527 -0.000 0.000 0.297 262 F C 2.422 178.140 175.800 -0.137 0.000 1.129 262 F CA 1.559 59.383 58.000 -0.292 0.000 1.195 262 F CB -1.377 37.134 39.000 -0.816 0.000 0.960 262 F HN 0.524 nan 8.300 nan 0.000 0.485 263 E N -1.089 119.117 120.200 0.011 0.000 2.267 263 E HA -0.299 4.051 4.350 -0.000 0.000 0.197 263 E C 2.096 178.716 176.600 0.033 0.000 0.998 263 E CA 1.398 57.810 56.400 0.020 0.000 0.830 263 E CB -0.233 29.454 29.700 -0.022 0.000 0.751 263 E HN 0.553 nan 8.360 nan 0.000 0.491 264 H N -0.126 118.863 119.070 -0.135 0.000 2.403 264 H HA 0.061 4.617 4.556 -0.000 0.000 0.298 264 H C 1.796 177.174 175.328 0.084 0.000 1.059 264 H CA 1.617 57.642 56.048 -0.039 0.000 1.363 264 H CB 0.067 29.773 29.762 -0.093 0.000 1.410 264 H HN 0.169 nan 8.280 nan 0.000 0.528 265 I N 0.363 120.990 120.570 0.095 0.000 2.617 265 I HA -0.125 4.044 4.170 -0.000 0.000 0.256 265 I C 2.174 178.457 176.117 0.276 0.000 1.167 265 I CA 0.890 62.328 61.300 0.229 0.000 1.469 265 I CB -0.006 38.166 38.000 0.286 0.000 1.098 265 I HN 0.259 nan 8.210 nan 0.000 0.436 266 V N -2.822 117.201 119.914 0.183 0.000 2.719 266 V HA -0.085 4.035 4.120 -0.000 0.000 0.252 266 V C 2.077 178.216 176.094 0.074 0.000 1.065 266 V CA 1.715 64.106 62.300 0.152 0.000 1.086 266 V CB -1.065 30.867 31.823 0.180 0.000 0.700 266 V HN 0.283 nan 8.190 nan 0.000 0.467 267 T N -0.575 113.984 114.554 0.010 0.000 3.035 267 T HA -0.012 4.338 4.350 -0.000 0.000 0.259 267 T C 1.967 176.581 174.700 -0.144 0.000 1.078 267 T CA 0.982 63.052 62.100 -0.050 0.000 1.132 267 T CB -0.139 68.702 68.868 -0.046 0.000 0.900 267 T HN 0.378 nan 8.240 nan 0.000 0.480 268 Q N 0.339 119.990 119.800 -0.248 0.000 2.123 268 Q HA 0.098 4.438 4.340 -0.000 0.000 0.199 268 Q C 0.370 175.935 176.000 -0.725 0.000 0.966 268 Q CA 1.062 56.536 55.803 -0.548 0.000 0.845 268 Q CB -0.102 28.211 28.738 -0.709 0.000 0.907 268 Q HN 0.571 nan 8.270 nan 0.000 0.439 269 F N 0.027 119.941 119.950 -0.060 0.000 2.928 269 F HA 0.185 4.712 4.527 -0.000 0.000 0.337 269 F C 1.457 177.233 175.800 -0.040 0.000 1.259 269 F CA -0.272 57.704 58.000 -0.040 0.000 1.267 269 F CB 0.153 39.132 39.000 -0.035 0.000 0.986 269 F HN -0.085 nan 8.300 nan 0.000 0.507 270 S N -1.320 114.403 115.700 0.039 0.000 2.406 270 S HA -0.175 4.295 4.470 -0.000 0.000 0.228 270 S C 2.170 176.785 174.600 0.025 0.000 1.020 270 S CA 1.148 59.361 58.200 0.022 0.000 0.965 270 S CB -0.665 62.529 63.200 -0.010 0.000 0.798 270 S HN 0.410 nan 8.310 nan 0.000 0.488 271 S N 2.803 118.514 115.700 0.020 0.000 2.378 271 S HA -0.062 4.408 4.470 -0.000 0.000 0.221 271 S C 1.295 175.920 174.600 0.042 0.000 1.037 271 S CA 1.005 59.218 58.200 0.022 0.000 1.069 271 S CB -1.582 61.624 63.200 0.010 0.000 1.006 271 S HN 0.914 nan 8.310 nan 0.000 0.423 272 V N -1.095 118.866 119.914 0.079 0.000 3.302 272 V HA 0.613 4.733 4.120 -0.000 0.000 0.316 272 V C -2.825 173.302 176.094 0.054 0.000 1.111 272 V CA -2.931 59.408 62.300 0.065 0.000 1.029 272 V CB 0.566 32.442 31.823 0.088 0.000 1.170 272 V HN 0.226 nan 8.190 nan 0.000 0.452 273 P HA 0.286 nan 4.420 nan 0.000 0.276 273 P C -0.865 176.397 177.300 -0.063 0.000 1.230 273 P CA 0.205 63.285 63.100 -0.034 0.000 0.776 273 P CB 1.605 33.271 31.700 -0.057 0.000 0.888 274 V N 2.213 122.066 119.914 -0.101 0.000 2.709 274 V HA 0.449 4.568 4.120 -0.000 0.000 0.308 274 V C -0.513 175.452 176.094 -0.216 0.000 1.062 274 V CA -0.545 61.648 62.300 -0.178 0.000 0.901 274 V CB 2.234 33.986 31.823 -0.117 0.000 1.003 274 V HN 0.665 nan 8.190 nan 0.000 0.425 275 S N 4.301 119.855 115.700 -0.244 0.000 2.549 275 S HA 0.857 5.327 4.470 -0.000 0.000 0.297 275 S C -1.146 173.313 174.600 -0.236 0.000 1.115 275 S CA -0.454 57.597 58.200 -0.248 0.000 1.059 275 S CB 1.495 64.561 63.200 -0.222 0.000 1.046 275 S HN 0.822 nan 8.310 nan 0.000 0.506 276 V N 5.036 124.803 119.914 -0.245 0.000 2.509 276 V HA 0.268 4.388 4.120 -0.000 0.000 0.289 276 V C -0.342 175.672 176.094 -0.133 0.000 1.026 276 V CA -1.032 61.175 62.300 -0.155 0.000 0.872 276 V CB 1.432 33.210 31.823 -0.075 0.000 1.017 276 V HN 0.866 nan 8.190 nan 0.000 0.436 277 V N 2.437 122.276 119.914 -0.125 0.000 2.644 277 V HA 0.185 4.304 4.120 -0.000 0.000 0.305 277 V C 0.928 177.059 176.094 0.062 0.000 1.053 277 V CA 0.641 62.867 62.300 -0.124 0.000 1.186 277 V CB 0.592 32.194 31.823 -0.370 0.000 0.895 277 V HN 0.883 nan 8.190 nan 0.000 0.490 278 S N 1.416 117.169 115.700 0.088 0.000 2.629 278 S HA 0.094 4.564 4.470 -0.000 0.000 0.236 278 S C 0.984 175.679 174.600 0.158 0.000 1.010 278 S CA 0.265 58.629 58.200 0.272 0.000 0.981 278 S CB -0.054 63.326 63.200 0.299 0.000 0.919 278 S HN 1.043 nan 8.310 nan 0.000 0.514 279 D N 0.951 121.391 120.400 0.066 0.000 2.340 279 D HA 0.135 4.775 4.640 -0.000 0.000 0.217 279 D C 1.079 177.362 176.300 -0.029 0.000 1.081 279 D CA 0.103 54.106 54.000 0.005 0.000 0.842 279 D CB -0.250 40.543 40.800 -0.012 0.000 0.934 279 D HN 0.072 nan 8.370 nan 0.000 0.511 280 S N -0.345 115.312 115.700 -0.072 0.000 2.380 280 S HA -0.152 4.318 4.470 -0.000 0.000 0.229 280 S C -0.041 174.128 174.600 -0.718 0.000 1.043 280 S CA 1.165 59.118 58.200 -0.412 0.000 1.038 280 S CB -0.445 62.387 63.200 -0.613 0.000 0.872 280 S HN 0.522 nan 8.310 nan 0.000 0.456 281 Y N -0.056 120.268 120.300 0.041 0.000 2.470 281 Y HA 0.364 4.914 4.550 -0.000 0.000 0.341 281 Y C -0.395 175.513 175.900 0.012 0.000 1.021 281 Y CA -1.690 56.418 58.100 0.012 0.000 1.025 281 Y CB 0.717 39.170 38.460 -0.012 0.000 1.266 281 Y HN -0.147 nan 8.280 nan 0.000 0.448 282 D N 2.371 122.858 120.400 0.145 0.000 6.738 282 D HA -0.217 4.423 4.640 -0.000 0.000 0.176 282 D C 0.856 177.171 176.300 0.025 0.000 1.109 282 D CA 0.545 54.600 54.000 0.092 0.000 0.936 282 D CB 0.301 41.183 40.800 0.138 0.000 1.412 282 D HN 0.753 nan 8.370 nan 0.000 0.801 283 I N 4.899 125.377 120.570 -0.154 0.000 2.194 283 I HA -0.286 3.884 4.170 -0.000 0.000 0.246 283 I C 1.571 177.585 176.117 -0.172 0.000 1.093 283 I CA 1.627 62.789 61.300 -0.229 0.000 1.355 283 I CB -0.430 37.283 38.000 -0.477 0.000 1.046 283 I HN 0.510 nan 8.210 nan 0.000 0.413 284 Y N 0.151 120.509 120.300 0.097 0.000 2.639 284 Y HA -0.152 4.397 4.550 -0.001 0.000 0.297 284 Y C 2.417 178.382 175.900 0.108 0.000 1.151 284 Y CA 0.919 59.074 58.100 0.093 0.000 1.335 284 Y CB -0.784 37.718 38.460 0.071 0.000 0.994 284 Y HN 0.393 nan 8.280 nan 0.000 0.548 285 N N 0.772 119.592 118.700 0.200 0.000 2.240 285 N HA -0.094 4.645 4.740 -0.000 0.000 0.187 285 N C 2.115 177.722 175.510 0.162 0.000 1.042 285 N CA 1.109 54.255 53.050 0.161 0.000 0.861 285 N CB -0.301 38.257 38.487 0.118 0.000 1.026 285 N HN 0.250 nan 8.380 nan 0.000 0.441 286 A N 1.200 124.126 122.820 0.176 0.000 1.927 286 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 286 A C 2.857 180.625 177.584 0.308 0.000 1.185 286 A CA 1.748 53.919 52.037 0.225 0.000 0.639 286 A CB -1.292 17.970 19.000 0.437 0.000 0.820 286 A HN 0.583 nan 8.150 nan 0.000 0.451 287 C N -1.455 118.057 119.300 0.353 0.000 2.455 287 C HA -0.077 4.383 4.460 -0.000 0.000 0.281 287 C C 2.765 177.945 174.990 0.317 0.000 1.237 287 C CA 1.325 60.563 59.018 0.367 0.000 1.726 287 C CB -1.052 26.820 27.740 0.220 0.000 2.068 287 C HN 0.800 nan 8.230 nan 0.000 0.466 288 E N 0.260 120.611 120.200 0.252 0.000 2.072 288 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 288 E C 2.128 178.849 176.600 0.202 0.000 0.985 288 E CA 1.350 57.884 56.400 0.224 0.000 0.801 288 E CB -0.044 29.767 29.700 0.184 0.000 0.750 288 E HN 0.566 nan 8.360 nan 0.000 0.452 289 K N -0.151 120.349 120.400 0.167 0.000 2.157 289 K HA 0.002 4.322 4.320 -0.000 0.000 0.207 289 K C 2.118 178.782 176.600 0.107 0.000 1.030 289 K CA 0.619 56.977 56.287 0.118 0.000 0.965 289 K CB 0.062 32.607 32.500 0.075 0.000 0.877 289 K HN 0.029 nan 8.250 nan 0.000 0.460 290 I N 0.051 120.658 120.570 0.063 0.000 2.179 290 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 290 I C 1.868 178.004 176.117 0.032 0.000 1.088 290 I CA 1.515 62.796 61.300 -0.032 0.000 1.357 290 I CB -1.427 36.471 38.000 -0.169 0.000 1.051 290 I HN 0.381 nan 8.210 nan 0.000 0.409 291 W N 0.649 122.074 121.300 0.209 0.000 2.630 291 W HA 0.178 4.838 4.660 -0.000 0.000 0.271 291 W C 2.428 179.123 176.519 0.293 0.000 1.244 291 W CA 0.484 57.931 57.345 0.170 0.000 1.353 291 W CB -0.378 29.105 29.460 0.038 0.000 1.080 291 W HN 0.097 nan 8.180 nan 0.000 0.594 292 G N -0.340 108.772 108.800 0.520 0.000 3.042 292 G HA2 0.065 4.025 3.960 -0.000 0.000 0.212 292 G HA3 0.065 4.025 3.960 -0.000 0.000 0.212 292 G C 0.989 176.037 174.900 0.247 0.000 1.166 292 G CA 0.480 45.883 45.100 0.506 0.000 0.767 292 G HN 0.241 nan 8.290 nan 0.000 0.546 293 E N -0.695 119.628 120.200 0.205 0.000 3.293 293 E HA 0.027 4.377 4.350 -0.000 0.000 0.218 293 E C 1.044 177.721 176.600 0.128 0.000 1.112 293 E CA -0.130 56.347 56.400 0.128 0.000 1.642 293 E CB 0.452 30.213 29.700 0.101 0.000 1.630 293 E HN 0.044 nan 8.360 nan 0.000 0.820 294 D N 1.327 121.801 120.400 0.123 0.000 2.092 294 D HA -0.076 4.564 4.640 -0.000 0.000 0.203 294 D C 1.386 177.802 176.300 0.194 0.000 0.978 294 D CA 0.917 54.986 54.000 0.116 0.000 0.861 294 D CB 0.032 40.862 40.800 0.050 0.000 1.005 294 D HN 0.046 nan 8.370 nan 0.000 0.450 295 L N 1.331 122.639 121.223 0.142 0.000 2.645 295 L HA 0.153 4.493 4.340 -0.000 0.000 0.234 295 L C 1.968 178.897 176.870 0.099 0.000 1.165 295 L CA 0.303 55.186 54.840 0.071 0.000 0.944 295 L CB -1.218 40.885 42.059 0.073 0.000 1.149 295 L HN 0.060 nan 8.230 nan 0.000 0.446 296 R N 0.659 121.281 120.500 0.204 0.000 2.139 296 R HA -0.195 4.145 4.340 -0.000 0.000 0.243 296 R C 2.138 178.473 176.300 0.059 0.000 1.145 296 R CA 1.588 57.783 56.100 0.159 0.000 0.976 296 R CB -0.057 30.284 30.300 0.068 0.000 0.866 296 R HN 0.583 nan 8.270 nan 0.000 0.449 297 H N -0.732 118.347 119.070 0.014 0.000 2.547 297 H HA -0.010 4.546 4.556 -0.000 0.000 0.272 297 H C 1.599 176.916 175.328 -0.018 0.000 0.989 297 H CA 0.577 56.611 56.048 -0.024 0.000 1.214 297 H CB -0.155 29.599 29.762 -0.013 0.000 1.389 297 H HN 0.296 nan 8.280 nan 0.000 0.577 298 L N 0.278 121.264 121.223 -0.395 0.000 2.529 298 L HA 0.027 4.366 4.340 -0.000 0.000 0.223 298 L C 1.814 178.609 176.870 -0.124 0.000 1.113 298 L CA -0.114 54.577 54.840 -0.249 0.000 0.861 298 L CB 0.079 41.997 42.059 -0.235 0.000 1.012 298 L HN 0.125 nan 8.230 nan 0.000 0.461 299 I N -0.769 119.740 120.570 -0.102 0.000 2.368 299 I HA -0.086 4.084 4.170 -0.000 0.000 0.238 299 I C 2.504 178.293 176.117 -0.546 0.000 1.076 299 I CA 0.932 62.145 61.300 -0.146 0.000 1.397 299 I CB -1.069 37.020 38.000 0.148 0.000 1.141 299 I HN -0.070 nan 8.210 nan 0.000 0.430 300 V N 2.130 121.636 119.914 -0.681 0.000 2.546 300 V HA -0.259 3.860 4.120 -0.000 0.000 0.254 300 V C 2.769 178.535 176.094 -0.547 0.000 1.076 300 V CA 2.124 63.774 62.300 -1.084 0.000 1.087 300 V CB -1.243 30.323 31.823 -0.429 0.000 0.674 300 V HN 0.583 nan 8.190 nan 0.000 0.470 301 S N -0.251 115.281 115.700 -0.281 0.000 2.387 301 S HA -0.063 4.406 4.470 -0.000 0.000 0.226 301 S C 1.163 175.715 174.600 -0.079 0.000 1.026 301 S CA 0.066 58.196 58.200 -0.117 0.000 0.972 301 S CB -0.304 62.859 63.200 -0.062 0.000 0.814 301 S HN 0.607 nan 8.310 nan 0.000 0.477 302 R N 1.702 122.135 120.500 -0.110 0.000 2.802 302 R HA 0.175 4.514 4.340 -0.000 0.000 0.264 302 R C 0.487 176.816 176.300 0.047 0.000 0.996 302 R CA 0.324 56.407 56.100 -0.029 0.000 1.123 302 R CB -0.002 30.279 30.300 -0.031 0.000 0.996 302 R HN 0.353 nan 8.270 nan 0.000 0.444 303 S N -0.410 115.317 115.700 0.046 0.000 2.592 303 S HA 0.003 4.473 4.470 -0.000 0.000 0.271 303 S C 1.544 176.187 174.600 0.072 0.000 1.326 303 S CA -0.186 58.048 58.200 0.056 0.000 1.024 303 S CB 1.198 64.415 63.200 0.028 0.000 0.921 303 S HN 0.698 nan 8.310 nan 0.000 0.527 304 T N 0.284 114.876 114.554 0.062 0.000 3.055 304 T HA 0.083 4.433 4.350 -0.000 0.000 0.265 304 T C 1.134 175.835 174.700 0.002 0.000 1.111 304 T CA 0.954 63.078 62.100 0.039 0.000 1.118 304 T CB -0.204 68.674 68.868 0.017 0.000 0.909 304 T HN 0.720 nan 8.240 nan 0.000 0.501 305 E N 0.772 120.971 120.200 -0.002 0.000 2.465 305 E HA 0.392 4.742 4.350 -0.000 0.000 0.191 305 E C 0.194 176.779 176.600 -0.025 0.000 1.053 305 E CA -0.055 56.330 56.400 -0.024 0.000 0.869 305 E CB 0.184 29.871 29.700 -0.022 0.000 0.977 305 E HN 0.612 nan 8.360 nan 0.000 0.483 306 A N 2.149 124.963 122.820 -0.010 0.000 3.399 306 A HA 0.290 4.610 4.320 -0.000 0.000 0.262 306 A C -2.808 174.773 177.584 -0.006 0.000 1.145 306 A CA -0.928 51.104 52.037 -0.009 0.000 0.916 306 A CB 0.576 19.581 19.000 0.008 0.000 1.360 306 A HN 0.022 nan 8.150 nan 0.000 0.628 307 P HA 0.501 nan 4.420 nan 0.000 0.281 307 P C -0.503 176.740 177.300 -0.095 0.000 1.281 307 P CA -0.585 62.502 63.100 -0.022 0.000 0.811 307 P CB 1.345 33.031 31.700 -0.022 0.000 1.154 308 L N 1.063 122.197 121.223 -0.149 0.000 2.260 308 L HA 0.364 4.704 4.340 -0.000 0.000 0.289 308 L C -0.249 176.407 176.870 -0.356 0.000 1.057 308 L CA -0.246 54.418 54.840 -0.292 0.000 0.811 308 L CB -0.643 41.150 42.059 -0.443 0.000 1.184 308 L HN 0.161 nan 8.230 nan 0.000 0.429 309 I N 7.076 127.447 120.570 -0.331 0.000 2.256 309 I HA 0.204 4.374 4.170 -0.000 0.000 0.294 309 I C 0.190 176.063 176.117 -0.406 0.000 1.127 309 I CA -0.255 60.852 61.300 -0.322 0.000 1.247 309 I CB 0.039 37.897 38.000 -0.236 0.000 1.460 309 I HN 0.543 nan 8.210 nan 0.000 0.511 310 I N 6.005 126.269 120.570 -0.510 0.000 2.710 310 I HA 0.026 4.196 4.170 -0.000 0.000 0.286 310 I C 0.790 176.700 176.117 -0.345 0.000 1.181 310 I CA 0.479 61.452 61.300 -0.545 0.000 1.430 310 I CB 0.240 37.882 38.000 -0.598 0.000 1.367 310 I HN 0.590 nan 8.210 nan 0.000 0.577 311 R N 8.995 129.336 120.500 -0.265 0.000 2.468 311 R HA 0.420 4.760 4.340 -0.000 0.000 0.302 311 R C -2.751 173.472 176.300 -0.128 0.000 1.041 311 R CA -1.531 54.456 56.100 -0.190 0.000 0.899 311 R CB 1.795 31.991 30.300 -0.173 0.000 1.167 311 R HN 0.289 nan 8.270 nan 0.000 0.483 312 P HA 0.194 nan 4.420 nan 0.000 0.279 312 P C -0.743 176.535 177.300 -0.036 0.000 1.282 312 P CA 0.074 63.122 63.100 -0.086 0.000 0.788 312 P CB 0.967 32.599 31.700 -0.113 0.000 1.139 313 D N -2.636 117.761 120.400 -0.005 0.000 2.902 313 D HA 0.045 4.685 4.640 -0.000 0.000 0.331 313 D C 0.806 177.122 176.300 0.028 0.000 1.519 313 D CA 0.064 54.093 54.000 0.047 0.000 0.925 313 D CB -0.197 40.687 40.800 0.139 0.000 1.620 313 D HN 0.027 nan 8.370 nan 0.000 0.390 314 S N -0.941 114.753 115.700 -0.010 0.000 2.289 314 S HA 0.588 5.057 4.470 -0.000 0.000 0.193 314 S C 0.880 175.482 174.600 0.003 0.000 1.002 314 S CA 0.641 58.829 58.200 -0.019 0.000 0.951 314 S CB 0.433 63.598 63.200 -0.059 0.000 0.920 314 S HN 0.365 nan 8.310 nan 0.000 0.502 315 G N 0.411 109.222 108.800 0.018 0.000 2.760 315 G HA2 0.497 4.457 3.960 -0.000 0.000 0.296 315 G HA3 0.497 4.457 3.960 -0.000 0.000 0.296 315 G C -0.971 173.961 174.900 0.052 0.000 1.427 315 G CA -0.655 44.467 45.100 0.036 0.000 1.109 315 G HN 0.506 nan 8.290 nan 0.000 0.553 316 N N 1.969 120.697 118.700 0.046 0.000 2.522 316 N HA -0.120 4.620 4.740 -0.000 0.000 0.281 316 N C -0.934 174.608 175.510 0.053 0.000 1.267 316 N CA 0.269 53.348 53.050 0.049 0.000 0.675 316 N CB 0.587 39.107 38.487 0.055 0.000 0.890 316 N HN 0.355 nan 8.380 nan 0.000 0.542 317 P HA -0.242 nan 4.420 nan 0.000 0.218 317 P C 1.523 178.857 177.300 0.057 0.000 1.146 317 P CA 0.782 63.914 63.100 0.053 0.000 0.813 317 P CB 0.148 31.891 31.700 0.072 0.000 0.778 318 L N 0.952 122.210 121.223 0.058 0.000 1.982 318 L HA -0.113 4.226 4.340 -0.000 0.000 0.206 318 L C 1.696 178.600 176.870 0.057 0.000 1.078 318 L CA 2.422 57.297 54.840 0.058 0.000 0.749 318 L CB -1.563 40.527 42.059 0.051 0.000 0.894 318 L HN -0.097 nan 8.230 nan 0.000 0.436 319 D N -0.413 120.025 120.400 0.064 0.000 2.190 319 D HA -0.180 4.460 4.640 -0.000 0.000 0.200 319 D C 2.025 178.388 176.300 0.104 0.000 0.992 319 D CA 1.727 55.772 54.000 0.075 0.000 0.854 319 D CB -0.251 40.594 40.800 0.075 0.000 0.936 319 D HN 0.373 nan 8.370 nan 0.000 0.462 320 T N 0.054 114.674 114.554 0.110 0.000 2.857 320 T HA -0.039 4.311 4.350 -0.000 0.000 0.266 320 T C 2.225 176.964 174.700 0.064 0.000 1.048 320 T CA 0.380 62.566 62.100 0.143 0.000 1.139 320 T CB -0.140 68.767 68.868 0.065 0.000 0.874 320 T HN -0.010 nan 8.240 nan 0.000 0.455 321 V N 1.709 121.618 119.914 -0.008 0.000 2.358 321 V HA -0.096 4.024 4.120 -0.000 0.000 0.246 321 V C 2.438 178.432 176.094 -0.168 0.000 1.047 321 V CA 1.430 63.664 62.300 -0.109 0.000 1.035 321 V CB -0.627 31.131 31.823 -0.109 0.000 0.658 321 V HN 0.445 nan 8.190 nan 0.000 0.452 322 L N -0.394 120.782 121.223 -0.079 0.000 2.083 322 L HA -0.214 4.125 4.340 -0.000 0.000 0.209 322 L C 2.521 179.391 176.870 -0.002 0.000 1.083 322 L CA 1.850 56.656 54.840 -0.056 0.000 0.752 322 L CB -0.578 41.529 42.059 0.079 0.000 0.899 322 L HN 0.278 nan 8.230 nan 0.000 0.433 323 K N -0.081 120.350 120.400 0.052 0.000 2.031 323 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 323 K C 2.066 178.736 176.600 0.117 0.000 1.049 323 K CA 0.790 57.128 56.287 0.085 0.000 0.939 323 K CB 0.047 32.584 32.500 0.062 0.000 0.717 323 K HN -0.023 nan 8.250 nan 0.000 0.438 324 V N 1.703 121.680 119.914 0.104 0.000 2.282 324 V HA -0.294 3.826 4.120 -0.000 0.000 0.249 324 V C 2.245 178.266 176.094 -0.122 0.000 1.057 324 V CA 1.773 64.079 62.300 0.010 0.000 1.032 324 V CB -0.343 31.422 31.823 -0.096 0.000 0.645 324 V HN 0.336 nan 8.190 nan 0.000 0.447 325 L N -0.367 120.670 121.223 -0.309 0.000 2.056 325 L HA -0.172 4.167 4.340 -0.000 0.000 0.207 325 L C 2.375 179.153 176.870 -0.153 0.000 1.078 325 L CA 2.003 56.464 54.840 -0.632 0.000 0.749 325 L CB -0.629 40.449 42.059 -1.635 0.000 0.901 325 L HN 0.396 nan 8.230 nan 0.000 0.433 326 D N 0.355 120.808 120.400 0.089 0.000 2.117 326 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 326 D C 2.157 178.586 176.300 0.215 0.000 0.987 326 D CA 1.263 55.451 54.000 0.313 0.000 0.829 326 D CB 0.092 41.030 40.800 0.230 0.000 0.961 326 D HN 0.233 nan 8.370 nan 0.000 0.460 327 I N -0.053 120.604 120.570 0.144 0.000 2.163 327 I HA -0.210 3.959 4.170 -0.000 0.000 0.240 327 I C 2.346 178.565 176.117 0.169 0.000 1.081 327 I CA 0.630 62.023 61.300 0.155 0.000 1.353 327 I CB -0.240 37.862 38.000 0.171 0.000 1.054 327 I HN 0.110 nan 8.210 nan 0.000 0.407 328 L N 0.495 121.774 121.223 0.093 0.000 2.083 328 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 328 L C 2.672 179.652 176.870 0.182 0.000 1.083 328 L CA 1.557 56.421 54.840 0.039 0.000 0.752 328 L CB -1.283 40.665 42.059 -0.185 0.000 0.899 328 L HN 0.353 nan 8.230 nan 0.000 0.433 329 G N 0.333 109.292 108.800 0.265 0.000 2.421 329 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 329 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 329 G C 1.644 176.716 174.900 0.288 0.000 1.171 329 G CA 0.452 45.784 45.100 0.387 0.000 0.775 329 G HN 0.315 nan 8.290 nan 0.000 0.543 330 K N -0.039 120.511 120.400 0.250 0.000 2.439 330 K HA 0.045 4.365 4.320 -0.000 0.000 0.197 330 K C 1.999 178.728 176.600 0.215 0.000 1.041 330 K CA 0.556 56.960 56.287 0.194 0.000 0.970 330 K CB 0.148 32.743 32.500 0.159 0.000 0.773 330 K HN 0.079 nan 8.250 nan 0.000 0.479 331 K N -0.482 120.112 120.400 0.323 0.000 2.348 331 K HA 0.169 4.489 4.320 -0.000 0.000 0.194 331 K C 0.056 176.898 176.600 0.403 0.000 1.052 331 K CA 0.480 56.996 56.287 0.382 0.000 1.004 331 K CB 0.497 33.323 32.500 0.543 0.000 0.873 331 K HN -0.066 nan 8.250 nan 0.000 0.523 332 F N 1.396 121.423 119.950 0.128 0.000 2.618 332 F HA 0.345 4.872 4.527 -0.000 0.000 0.332 332 F C -2.050 173.815 175.800 0.108 0.000 1.061 332 F CA -2.982 55.100 58.000 0.138 0.000 0.974 332 F CB 0.879 39.976 39.000 0.162 0.000 1.310 332 F HN -0.226 nan 8.300 nan 0.000 0.491 333 P HA 0.112 nan 4.420 nan 0.000 0.266 333 P C -0.733 176.643 177.300 0.125 0.000 1.419 333 P CA 0.101 63.287 63.100 0.143 0.000 1.112 333 P CB -0.011 31.751 31.700 0.104 0.000 1.438 334 V N 2.095 122.084 119.914 0.125 0.000 2.508 334 V HA 0.381 4.500 4.120 -0.000 0.000 0.281 334 V C 0.667 176.787 176.094 0.043 0.000 1.041 334 V CA -0.515 61.846 62.300 0.103 0.000 1.016 334 V CB 0.410 32.293 31.823 0.101 0.000 0.984 334 V HN 0.595 nan 8.190 nan 0.000 0.478 335 S N 2.435 118.156 115.700 0.035 0.000 2.482 335 S HA 0.518 4.988 4.470 -0.000 0.000 0.303 335 S C -0.501 174.103 174.600 0.007 0.000 1.091 335 S CA -0.751 57.457 58.200 0.013 0.000 1.057 335 S CB 1.700 64.908 63.200 0.012 0.000 1.031 335 S HN 0.900 nan 8.310 nan 0.000 0.485 336 E N 2.874 123.067 120.200 -0.011 0.000 2.223 336 E HA 0.111 4.461 4.350 -0.000 0.000 0.282 336 E C 0.448 177.058 176.600 0.017 0.000 1.046 336 E CA -0.409 55.983 56.400 -0.013 0.000 0.857 336 E CB 0.399 30.073 29.700 -0.042 0.000 1.055 336 E HN 0.836 nan 8.360 nan 0.000 0.409 337 N N 1.659 120.389 118.700 0.051 0.000 2.347 337 N HA -0.025 4.715 4.740 -0.000 0.000 0.253 337 N C 0.410 175.955 175.510 0.058 0.000 1.274 337 N CA -0.228 52.857 53.050 0.058 0.000 0.941 337 N CB 0.704 39.238 38.487 0.078 0.000 1.200 337 N HN 0.325 nan 8.380 nan 0.000 0.514 338 S N -1.186 114.543 115.700 0.049 0.000 2.988 338 S HA 0.010 4.480 4.470 -0.000 0.000 0.237 338 S C 0.460 175.097 174.600 0.063 0.000 0.989 338 S CA 0.160 58.385 58.200 0.043 0.000 1.054 338 S CB -0.322 62.897 63.200 0.031 0.000 0.818 338 S HN 0.544 nan 8.310 nan 0.000 0.526 339 K N -0.757 119.707 120.400 0.106 0.000 2.562 339 K HA 0.266 4.586 4.320 -0.000 0.000 0.218 339 K C 1.181 177.896 176.600 0.192 0.000 1.374 339 K CA 0.633 57.022 56.287 0.170 0.000 0.996 339 K CB 0.875 33.504 32.500 0.215 0.000 1.127 339 K HN 0.487 nan 8.250 nan 0.000 0.603 340 G N 1.180 110.041 108.800 0.102 0.000 2.184 340 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.206 340 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.206 340 G C -0.425 174.357 174.900 -0.196 0.000 0.995 340 G CA -0.272 44.782 45.100 -0.076 0.000 0.651 340 G HN 0.129 nan 8.290 nan 0.000 0.511 341 Y N 1.281 121.569 120.300 -0.020 0.000 2.323 341 Y HA 0.641 5.191 4.550 -0.000 0.000 0.331 341 Y C 0.951 176.829 175.900 -0.036 0.000 1.092 341 Y CA -0.851 57.237 58.100 -0.020 0.000 1.150 341 Y CB 0.985 39.474 38.460 0.049 0.000 1.200 341 Y HN 0.024 nan 8.280 nan 0.000 0.472 342 K N 2.270 122.656 120.400 -0.023 0.000 2.469 342 K HA 0.283 4.603 4.320 -0.000 0.000 0.274 342 K C -1.169 175.534 176.600 0.171 0.000 0.983 342 K CA 0.122 56.360 56.287 -0.083 0.000 0.974 342 K CB 0.192 32.339 32.500 -0.587 0.000 0.913 342 K HN 0.482 nan 8.250 nan 0.000 0.493 343 L N 2.920 124.234 121.223 0.152 0.000 2.493 343 L HA 0.381 4.720 4.340 -0.000 0.000 0.265 343 L C -1.414 175.533 176.870 0.129 0.000 0.954 343 L CA -0.406 54.533 54.840 0.166 0.000 0.844 343 L CB 1.315 43.430 42.059 0.093 0.000 1.302 343 L HN 0.533 nan 8.230 nan 0.000 0.405 344 L N 4.999 126.287 121.223 0.109 0.000 2.466 344 L HA 0.473 4.812 4.340 -0.000 0.000 0.257 344 L C -1.877 174.939 176.870 -0.090 0.000 1.189 344 L CA -1.736 53.119 54.840 0.026 0.000 0.813 344 L CB 0.243 42.276 42.059 -0.044 0.000 1.118 344 L HN 0.504 nan 8.230 nan 0.000 0.471 345 P HA 0.083 nan 4.420 nan 0.000 0.276 345 P C -2.112 174.857 177.300 -0.552 0.000 1.243 345 P CA -1.426 61.416 63.100 -0.431 0.000 0.768 345 P CB 0.592 31.879 31.700 -0.688 0.000 0.856 346 P HA -0.250 nan 4.420 nan 0.000 0.232 346 P C 1.117 178.335 177.300 -0.136 0.000 1.150 346 P CA 2.168 65.158 63.100 -0.184 0.000 0.911 346 P CB -0.757 30.883 31.700 -0.101 0.000 0.776 347 Y N -1.827 118.469 120.300 -0.006 0.000 2.529 347 Y HA 0.495 5.045 4.550 -0.000 0.000 0.290 347 Y C 0.749 176.598 175.900 -0.085 0.000 1.177 347 Y CA -1.141 56.942 58.100 -0.028 0.000 1.305 347 Y CB -0.915 37.552 38.460 0.012 0.000 1.047 347 Y HN -0.137 nan 8.280 nan 0.000 0.522 348 L N 2.220 123.441 121.223 -0.004 0.000 2.404 348 L HA 0.638 4.978 4.340 -0.000 0.000 0.272 348 L C -1.316 175.439 176.870 -0.192 0.000 0.980 348 L CA -1.142 53.637 54.840 -0.102 0.000 0.836 348 L CB 1.205 43.173 42.059 -0.151 0.000 1.238 348 L HN 0.021 nan 8.230 nan 0.000 0.408 349 R N 3.193 123.559 120.500 -0.224 0.000 2.855 349 R HA 0.836 5.176 4.340 -0.000 0.000 0.266 349 R C -1.439 174.692 176.300 -0.282 0.000 1.034 349 R CA -0.844 55.123 56.100 -0.220 0.000 0.944 349 R CB 2.178 32.376 30.300 -0.171 0.000 1.219 349 R HN 0.394 nan 8.270 nan 0.000 0.474 350 V N 1.620 121.365 119.914 -0.283 0.000 3.102 350 V HA 0.664 4.784 4.120 -0.000 0.000 0.312 350 V C -0.387 175.506 176.094 -0.335 0.000 1.135 350 V CA -0.866 61.243 62.300 -0.317 0.000 1.022 350 V CB 2.703 34.325 31.823 -0.335 0.000 1.056 350 V HN 0.753 nan 8.190 nan 0.000 0.436 351 I N 0.254 120.628 120.570 -0.327 0.000 2.656 351 I HA 0.673 4.843 4.170 -0.000 0.000 0.292 351 I C -1.179 174.750 176.117 -0.313 0.000 1.144 351 I CA -0.903 60.182 61.300 -0.358 0.000 1.038 351 I CB 2.232 40.093 38.000 -0.233 0.000 1.244 351 I HN 0.476 nan 8.210 nan 0.000 0.420 352 Q N 3.891 123.442 119.800 -0.416 0.000 2.456 352 Q HA 0.505 4.844 4.340 -0.000 0.000 0.234 352 Q C 0.471 176.446 176.000 -0.042 0.000 1.061 352 Q CA 0.070 55.755 55.803 -0.196 0.000 0.896 352 Q CB 1.308 29.966 28.738 -0.134 0.000 1.233 352 Q HN 0.931 nan 8.270 nan 0.000 0.506 353 G N 2.725 111.549 108.800 0.040 0.000 3.337 353 G HA2 0.097 4.056 3.960 -0.000 0.000 0.246 353 G HA3 0.097 4.056 3.960 -0.000 0.000 0.246 353 G C -0.407 174.602 174.900 0.182 0.000 1.131 353 G CA -0.142 45.081 45.100 0.206 0.000 0.773 353 G HN 0.561 nan 8.290 nan 0.000 0.544 354 D N -2.026 118.434 120.400 0.101 0.000 2.879 354 D HA 0.454 5.093 4.640 -0.000 0.000 0.236 354 D C 0.892 177.234 176.300 0.070 0.000 1.171 354 D CA 0.265 54.319 54.000 0.089 0.000 0.868 354 D CB 1.221 42.063 40.800 0.071 0.000 1.598 354 D HN 0.198 nan 8.370 nan 0.000 0.497 355 G N 1.593 110.431 108.800 0.063 0.000 2.179 355 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.257 355 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.257 355 G C 0.011 174.939 174.900 0.047 0.000 1.010 355 G CA 0.441 45.571 45.100 0.050 0.000 0.736 355 G HN 0.568 nan 8.290 nan 0.000 0.513 356 V N 1.643 121.587 119.914 0.050 0.000 2.364 356 V HA 0.613 4.733 4.120 -0.000 0.000 0.272 356 V C 0.108 176.199 176.094 -0.004 0.000 1.036 356 V CA 0.032 62.351 62.300 0.031 0.000 0.880 356 V CB 1.457 33.322 31.823 0.070 0.000 0.991 356 V HN 0.607 nan 8.190 nan 0.000 0.460 357 D N 3.010 123.399 120.400 -0.018 0.000 2.559 357 D HA 0.283 4.923 4.640 -0.000 0.000 0.250 357 D C 0.949 177.230 176.300 -0.031 0.000 1.135 357 D CA -0.922 53.071 54.000 -0.011 0.000 0.955 357 D CB 1.417 42.226 40.800 0.016 0.000 1.442 357 D HN 0.312 nan 8.370 nan 0.000 0.471 358 I N 0.130 120.700 120.570 -0.000 0.000 2.300 358 I HA -0.330 3.840 4.170 -0.000 0.000 0.252 358 I C 0.943 177.046 176.117 -0.024 0.000 1.119 358 I CA 1.523 62.824 61.300 0.003 0.000 1.384 358 I CB -0.053 37.999 38.000 0.087 0.000 1.062 358 I HN 0.298 nan 8.210 nan 0.000 0.426 359 N N 0.079 118.770 118.700 -0.016 0.000 2.148 359 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 359 N C 1.759 177.239 175.510 -0.050 0.000 1.031 359 N CA 1.995 55.028 53.050 -0.030 0.000 0.848 359 N CB -0.683 37.795 38.487 -0.015 0.000 1.005 359 N HN 0.313 nan 8.380 nan 0.000 0.427 360 T N 2.501 117.030 114.554 -0.042 0.000 2.720 360 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 360 T C 1.990 176.630 174.700 -0.101 0.000 1.037 360 T CA 0.757 62.831 62.100 -0.044 0.000 1.144 360 T CB -0.462 68.397 68.868 -0.016 0.000 0.864 360 T HN 0.074 nan 8.240 nan 0.000 0.444 361 L N 1.432 122.558 121.223 -0.162 0.000 1.997 361 L HA -0.226 4.114 4.340 -0.000 0.000 0.216 361 L C 2.577 179.245 176.870 -0.336 0.000 1.074 361 L CA 2.133 56.771 54.840 -0.336 0.000 0.763 361 L CB -0.965 40.884 42.059 -0.350 0.000 0.890 361 L HN 0.187 nan 8.230 nan 0.000 0.434 362 Q N -0.010 119.647 119.800 -0.239 0.000 2.045 362 Q HA -0.262 4.078 4.340 -0.000 0.000 0.206 362 Q C 2.015 177.883 176.000 -0.219 0.000 0.991 362 Q CA 2.531 58.190 55.803 -0.242 0.000 0.851 362 Q CB -0.377 28.287 28.738 -0.123 0.000 0.911 362 Q HN 0.710 nan 8.270 nan 0.000 0.418 363 E N -0.100 120.027 120.200 -0.121 0.000 2.058 363 E HA -0.197 4.152 4.350 -0.000 0.000 0.194 363 E C 2.180 178.743 176.600 -0.063 0.000 0.997 363 E CA 1.528 57.890 56.400 -0.064 0.000 0.801 363 E CB -0.380 29.305 29.700 -0.026 0.000 0.746 363 E HN 0.460 nan 8.360 nan 0.000 0.450 364 I N 0.869 121.398 120.570 -0.067 0.000 2.099 364 I HA -0.268 3.902 4.170 -0.000 0.000 0.239 364 I C 2.577 178.677 176.117 -0.027 0.000 1.066 364 I CA 0.913 62.213 61.300 -0.000 0.000 1.324 364 I CB -0.477 37.578 38.000 0.091 0.000 1.037 364 I HN -0.008 nan 8.210 nan 0.000 0.401 365 V N 0.521 120.320 119.914 -0.191 0.000 2.469 365 V HA -0.266 3.854 4.120 -0.000 0.000 0.251 365 V C 2.503 178.403 176.094 -0.323 0.000 1.064 365 V CA 1.931 64.057 62.300 -0.290 0.000 1.066 365 V CB -0.490 30.970 31.823 -0.605 0.000 0.667 365 V HN 0.427 nan 8.190 nan 0.000 0.461 366 E N -0.504 119.508 120.200 -0.314 0.000 2.276 366 E HA -0.004 4.346 4.350 -0.000 0.000 0.193 366 E C 2.154 178.833 176.600 0.131 0.000 0.983 366 E CA 0.889 57.302 56.400 0.022 0.000 0.861 366 E CB 0.152 29.880 29.700 0.046 0.000 0.817 366 E HN 0.607 nan 8.360 nan 0.000 0.485 367 G N 0.817 109.661 108.800 0.073 0.000 2.421 367 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 367 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 367 G C 1.668 176.675 174.900 0.178 0.000 1.143 367 G CA 0.384 45.551 45.100 0.112 0.000 0.784 367 G HN 0.138 nan 8.290 nan 0.000 0.541 368 M N 0.032 119.745 119.600 0.189 0.000 2.077 368 M HA 0.009 4.489 4.480 -0.000 0.000 0.261 368 M C 2.533 179.067 176.300 0.389 0.000 1.070 368 M CA 1.383 56.859 55.300 0.294 0.000 1.125 368 M CB -0.368 32.380 32.600 0.246 0.000 1.339 368 M HN 0.169 nan 8.290 nan 0.000 0.409 369 K N 0.705 121.329 120.400 0.374 0.000 2.001 369 K HA -0.247 4.072 4.320 -0.000 0.000 0.214 369 K C 1.908 178.739 176.600 0.385 0.000 1.050 369 K CA 1.990 58.578 56.287 0.501 0.000 0.934 369 K CB -0.216 32.585 32.500 0.501 0.000 0.718 369 K HN 0.399 nan 8.250 nan 0.000 0.443 370 Q N 0.219 120.179 119.800 0.267 0.000 2.096 370 Q HA -0.165 4.175 4.340 -0.000 0.000 0.208 370 Q C 1.109 177.183 176.000 0.124 0.000 0.993 370 Q CA 1.375 57.277 55.803 0.165 0.000 0.862 370 Q CB -0.089 28.731 28.738 0.136 0.000 0.915 370 Q HN 0.081 nan 8.270 nan 0.000 0.416 371 K N 1.361 121.869 120.400 0.181 0.000 2.836 371 K HA 0.017 4.337 4.320 -0.000 0.000 0.236 371 K C -0.282 176.339 176.600 0.035 0.000 1.015 371 K CA 0.151 56.530 56.287 0.153 0.000 1.194 371 K CB -0.053 32.635 32.500 0.314 0.000 1.002 371 K HN 0.131 nan 8.250 nan 0.000 0.479 372 K N -1.226 119.162 120.400 -0.020 0.000 2.948 372 K HA -0.219 4.101 4.320 -0.000 0.000 0.253 372 K C -0.552 176.006 176.600 -0.071 0.000 0.970 372 K CA 0.869 57.030 56.287 -0.210 0.000 0.716 372 K CB -1.960 30.322 32.500 -0.364 0.000 1.249 372 K HN 0.305 nan 8.250 nan 0.000 0.483 373 W N -0.293 121.163 121.300 0.259 0.000 2.516 373 W HA 0.417 5.077 4.660 -0.000 0.000 0.343 373 W C 0.855 177.569 176.519 0.326 0.000 1.094 373 W CA -0.850 56.636 57.345 0.236 0.000 1.250 373 W CB 1.450 30.994 29.460 0.141 0.000 1.308 373 W HN -0.002 nan 8.180 nan 0.000 0.588 374 S N 2.405 118.423 115.700 0.530 0.000 2.554 374 S HA 0.250 4.720 4.470 -0.000 0.000 0.278 374 S C 0.780 175.494 174.600 0.189 0.000 1.242 374 S CA -0.722 57.639 58.200 0.268 0.000 1.051 374 S CB 0.459 63.783 63.200 0.207 0.000 0.986 374 S HN 0.400 nan 8.310 nan 0.000 0.502 375 I N 3.781 124.415 120.570 0.107 0.000 3.456 375 I HA 0.024 4.194 4.170 -0.000 0.000 0.291 375 I C 1.602 177.781 176.117 0.103 0.000 1.307 375 I CA 0.801 62.181 61.300 0.132 0.000 1.333 375 I CB -1.673 36.409 38.000 0.136 0.000 1.032 375 I HN 0.752 nan 8.210 nan 0.000 0.506 376 E N 0.939 121.186 120.200 0.078 0.000 2.170 376 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 376 E C 1.584 178.195 176.600 0.019 0.000 0.981 376 E CA 0.337 56.768 56.400 0.050 0.000 0.830 376 E CB 0.101 29.829 29.700 0.047 0.000 0.775 376 E HN 0.524 nan 8.360 nan 0.000 0.470 377 N N 0.586 119.300 118.700 0.024 0.000 2.331 377 N HA -0.060 4.680 4.740 -0.000 0.000 0.180 377 N C 0.157 175.585 175.510 -0.138 0.000 1.019 377 N CA 0.726 53.747 53.050 -0.048 0.000 0.881 377 N CB 0.519 38.988 38.487 -0.031 0.000 0.972 377 N HN -0.041 nan 8.380 nan 0.000 0.435 378 V N 1.421 121.255 119.914 -0.133 0.000 2.483 378 V HA 0.270 4.390 4.120 -0.000 0.000 0.297 378 V C -0.022 175.883 176.094 -0.314 0.000 1.027 378 V CA -0.877 61.241 62.300 -0.303 0.000 0.855 378 V CB 1.726 33.285 31.823 -0.440 0.000 0.995 378 V HN 0.131 nan 8.190 nan 0.000 0.424 379 S N 4.019 119.511 115.700 -0.347 0.000 2.690 379 S HA 0.888 5.358 4.470 -0.000 0.000 0.291 379 S C -0.897 173.424 174.600 -0.466 0.000 1.138 379 S CA -0.543 57.561 58.200 -0.159 0.000 1.013 379 S CB 1.651 64.825 63.200 -0.044 0.000 1.053 379 S HN 0.307 nan 8.310 nan 0.000 0.539 380 F N -0.682 119.196 119.950 -0.120 0.000 2.618 380 F HA 0.791 5.318 4.527 -0.000 0.000 0.332 380 F C 0.737 176.365 175.800 -0.287 0.000 1.061 380 F CA -0.780 57.117 58.000 -0.172 0.000 0.974 380 F CB 2.019 40.919 39.000 -0.166 0.000 1.310 380 F HN 0.927 nan 8.300 nan 0.000 0.491 381 G N 0.343 109.036 108.800 -0.179 0.000 2.782 381 G HA2 0.455 4.415 3.960 -0.000 0.000 0.280 381 G HA3 0.455 4.415 3.960 -0.000 0.000 0.280 381 G C -1.616 173.027 174.900 -0.429 0.000 1.526 381 G CA -0.558 44.133 45.100 -0.682 0.000 1.083 381 G HN 0.599 nan 8.290 nan 0.000 0.552 382 S N 1.421 116.887 115.700 -0.390 0.000 2.489 382 S HA 0.776 5.245 4.470 -0.000 0.000 0.291 382 S C 1.065 175.602 174.600 -0.104 0.000 1.151 382 S CA 0.259 58.357 58.200 -0.170 0.000 1.082 382 S CB 1.313 64.430 63.200 -0.138 0.000 1.019 382 S HN 0.842 nan 8.310 nan 0.000 0.492 383 G N 3.006 111.829 108.800 0.039 0.000 2.992 383 G HA2 0.350 4.309 3.960 -0.000 0.000 0.201 383 G HA3 0.350 4.309 3.960 -0.000 0.000 0.201 383 G C 1.164 176.111 174.900 0.078 0.000 2.057 383 G CA 0.234 45.404 45.100 0.117 0.000 0.800 383 G HN 0.917 nan 8.290 nan 0.000 0.700 384 G N 0.568 109.421 108.800 0.088 0.000 2.498 384 G HA2 0.162 4.122 3.960 -0.000 0.000 0.219 384 G HA3 0.162 4.122 3.960 -0.000 0.000 0.219 384 G C 1.759 176.705 174.900 0.076 0.000 1.119 384 G CA 1.594 46.744 45.100 0.083 0.000 0.766 384 G HN 0.746 nan 8.290 nan 0.000 0.552 385 A N 0.210 123.066 122.820 0.059 0.000 1.968 385 A HA 0.190 4.510 4.320 -0.000 0.000 0.217 385 A C 2.218 179.832 177.584 0.049 0.000 1.169 385 A CA 1.448 53.517 52.037 0.053 0.000 0.638 385 A CB -0.189 18.832 19.000 0.035 0.000 0.812 385 A HN 0.452 nan 8.150 nan 0.000 0.446 386 L N -1.187 120.050 121.223 0.023 0.000 2.168 386 L HA 0.213 4.553 4.340 -0.000 0.000 0.203 386 L C 1.897 178.781 176.870 0.023 0.000 1.078 386 L CA 1.533 56.372 54.840 -0.000 0.000 0.780 386 L CB -0.267 41.743 42.059 -0.081 0.000 0.939 386 L HN 0.310 nan 8.230 nan 0.000 0.451 387 L N -1.517 119.740 121.223 0.057 0.000 2.388 387 L HA 0.175 4.514 4.340 -0.000 0.000 0.209 387 L C 1.038 178.049 176.870 0.234 0.000 1.061 387 L CA -0.009 54.905 54.840 0.122 0.000 0.834 387 L CB 0.061 42.180 42.059 0.099 0.000 1.029 387 L HN 0.305 nan 8.230 nan 0.000 0.473 388 Q N -0.078 119.822 119.800 0.167 0.000 2.427 388 Q HA 0.232 4.572 4.340 -0.000 0.000 0.232 388 Q C -0.071 176.030 176.000 0.169 0.000 1.018 388 Q CA -0.449 55.457 55.803 0.172 0.000 0.965 388 Q CB 1.220 30.025 28.738 0.111 0.000 1.232 388 Q HN -0.011 nan 8.270 nan 0.000 0.510 389 K N -0.690 119.805 120.400 0.158 0.000 3.251 389 K HA -0.088 4.231 4.320 -0.000 0.000 0.282 389 K C -1.809 174.899 176.600 0.181 0.000 1.201 389 K CA 0.454 56.824 56.287 0.138 0.000 0.827 389 K CB -1.324 31.239 32.500 0.105 0.000 1.286 389 K HN 0.364 nan 8.250 nan 0.000 0.503 390 L N 0.922 122.308 121.223 0.271 0.000 2.410 390 L HA 0.622 4.961 4.340 -0.000 0.000 0.270 390 L C 0.120 177.254 176.870 0.440 0.000 0.983 390 L CA -0.079 54.980 54.840 0.366 0.000 0.822 390 L CB 1.673 43.996 42.059 0.439 0.000 1.285 390 L HN 0.373 nan 8.230 nan 0.000 0.409 391 T N -1.190 113.499 114.554 0.226 0.000 2.906 391 T HA 0.440 4.790 4.350 -0.000 0.000 0.295 391 T C 0.889 175.318 174.700 -0.452 0.000 1.061 391 T CA -0.815 61.168 62.100 -0.196 0.000 1.000 391 T CB 2.191 70.974 68.868 -0.141 0.000 1.103 391 T HN 0.577 nan 8.240 nan 0.000 0.486 392 R N 0.576 120.367 120.500 -1.182 0.000 2.211 392 R HA -0.149 4.190 4.340 -0.000 0.000 0.240 392 R C 0.994 177.128 176.300 -0.277 0.000 1.144 392 R CA 1.983 57.587 56.100 -0.826 0.000 0.992 392 R CB -0.448 29.240 30.300 -1.020 0.000 0.869 392 R HN 0.710 nan 8.270 nan 0.000 0.462 393 D N 0.371 120.633 120.400 -0.230 0.000 2.178 393 D HA -0.176 4.464 4.640 -0.000 0.000 0.201 393 D C 1.797 178.094 176.300 -0.005 0.000 0.980 393 D CA 0.714 54.655 54.000 -0.098 0.000 0.842 393 D CB -0.127 40.624 40.800 -0.082 0.000 0.948 393 D HN 0.190 nan 8.370 nan 0.000 0.472 394 L N 0.561 121.813 121.223 0.049 0.000 1.944 394 L HA -0.154 4.186 4.340 -0.000 0.000 0.218 394 L C 2.230 179.204 176.870 0.172 0.000 1.075 394 L CA 1.545 56.482 54.840 0.160 0.000 0.767 394 L CB -0.694 41.495 42.059 0.217 0.000 0.890 394 L HN 0.033 nan 8.230 nan 0.000 0.434 395 L N -0.838 120.467 121.223 0.136 0.000 2.685 395 L HA 0.164 4.504 4.340 -0.000 0.000 0.233 395 L C 0.251 177.150 176.870 0.049 0.000 1.173 395 L CA -0.089 54.817 54.840 0.110 0.000 0.961 395 L CB -0.841 41.277 42.059 0.099 0.000 1.217 395 L HN 0.436 nan 8.230 nan 0.000 0.478 396 N N 0.012 118.719 118.700 0.013 0.000 2.714 396 N HA -0.180 4.560 4.740 -0.000 0.000 0.252 396 N C -0.089 175.341 175.510 -0.133 0.000 1.014 396 N CA -0.165 52.851 53.050 -0.056 0.000 0.735 396 N CB -0.818 37.639 38.487 -0.050 0.000 0.924 396 N HN 0.401 nan 8.380 nan 0.000 0.540 397 C N 0.835 120.081 119.300 -0.091 0.000 2.657 397 C HA 0.306 4.766 4.460 -0.000 0.000 0.404 397 C C 1.084 175.834 174.990 -0.401 0.000 1.369 397 C CA -0.207 58.654 59.018 -0.262 0.000 1.665 397 C CB -0.061 27.873 27.740 0.323 0.000 2.453 397 C HN 0.350 nan 8.230 nan 0.000 0.599 398 S N 2.278 117.517 115.700 -0.768 0.000 2.547 398 S HA 0.658 5.128 4.470 -0.000 0.000 0.281 398 S C -1.110 173.181 174.600 -0.517 0.000 1.118 398 S CA -0.416 57.512 58.200 -0.453 0.000 0.947 398 S CB 0.754 63.771 63.200 -0.305 0.000 1.053 398 S HN 0.581 nan 8.310 nan 0.000 0.482 399 F N 4.303 124.091 119.950 -0.270 0.000 2.332 399 F HA 0.685 5.212 4.527 -0.000 0.000 0.368 399 F C -0.353 175.338 175.800 -0.181 0.000 1.110 399 F CA -0.366 57.531 58.000 -0.172 0.000 1.087 399 F CB 0.505 39.583 39.000 0.129 0.000 1.235 399 F HN 0.410 nan 8.300 nan 0.000 0.470 400 K N 4.726 124.794 120.400 -0.553 0.000 2.375 400 K HA 0.384 4.704 4.320 -0.000 0.000 0.249 400 K C -1.386 175.129 176.600 -0.142 0.000 0.942 400 K CA -0.573 55.580 56.287 -0.224 0.000 0.806 400 K CB 1.804 34.234 32.500 -0.115 0.000 1.227 400 K HN 0.616 nan 8.250 nan 0.000 0.430 401 C N 2.602 121.942 119.300 0.068 0.000 2.566 401 C HA 0.316 4.776 4.460 -0.000 0.000 0.393 401 C C 1.426 176.562 174.990 0.244 0.000 1.309 401 C CA 0.307 59.416 59.018 0.152 0.000 1.801 401 C CB -1.166 26.692 27.740 0.196 0.000 2.493 401 C HN 0.900 nan 8.230 nan 0.000 0.575 402 S N 3.844 119.732 115.700 0.314 0.000 2.524 402 S HA 0.199 4.669 4.470 -0.000 0.000 0.222 402 S C -0.200 174.628 174.600 0.379 0.000 1.040 402 S CA -0.050 58.346 58.200 0.327 0.000 0.915 402 S CB -0.003 63.333 63.200 0.227 0.000 0.831 402 S HN 0.891 nan 8.310 nan 0.000 0.492 403 Y N 0.512 120.963 120.300 0.252 0.000 2.504 403 Y HA 0.705 5.255 4.550 -0.000 0.000 0.344 403 Y C -1.465 174.527 175.900 0.154 0.000 1.023 403 Y CA -1.121 57.079 58.100 0.167 0.000 1.020 403 Y CB 2.052 40.562 38.460 0.083 0.000 1.282 403 Y HN 0.017 nan 8.280 nan 0.000 0.454 404 V N 5.292 124.949 119.914 -0.428 0.000 3.049 404 V HA 0.545 4.665 4.120 -0.000 0.000 0.309 404 V C -1.461 174.282 176.094 -0.584 0.000 1.148 404 V CA -0.939 61.148 62.300 -0.355 0.000 0.990 404 V CB 2.381 34.139 31.823 -0.108 0.000 1.039 404 V HN 0.556 nan 8.190 nan 0.000 0.430 405 V N 2.772 122.467 119.914 -0.366 0.000 2.349 405 V HA 0.468 4.588 4.120 -0.000 0.000 0.284 405 V C -0.133 175.869 176.094 -0.154 0.000 1.014 405 V CA -0.209 61.923 62.300 -0.280 0.000 0.826 405 V CB 1.873 33.577 31.823 -0.198 0.000 1.009 405 V HN 0.978 nan 8.190 nan 0.000 0.431 406 T N 4.829 119.306 114.554 -0.127 0.000 2.770 406 T HA 0.375 4.725 4.350 -0.000 0.000 0.283 406 T C 0.498 175.158 174.700 -0.068 0.000 0.988 406 T CA -0.396 61.650 62.100 -0.089 0.000 0.957 406 T CB 0.567 69.394 68.868 -0.067 0.000 0.930 406 T HN 0.687 nan 8.240 nan 0.000 0.443 407 N N 2.049 120.711 118.700 -0.063 0.000 2.747 407 N HA -0.242 4.497 4.740 -0.000 0.000 0.249 407 N C 1.157 176.647 175.510 -0.033 0.000 1.107 407 N CA 1.499 54.522 53.050 -0.045 0.000 0.707 407 N CB -1.342 37.123 38.487 -0.037 0.000 1.054 407 N HN 1.254 nan 8.380 nan 0.000 0.555 408 G N -1.830 106.949 108.800 -0.035 0.000 2.284 408 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.230 408 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.230 408 G C 0.015 174.908 174.900 -0.013 0.000 1.021 408 G CA 0.515 45.605 45.100 -0.017 0.000 0.619 408 G HN 0.576 nan 8.290 nan 0.000 0.510 409 L N 0.234 121.443 121.223 -0.023 0.000 2.360 409 L HA 0.938 5.278 4.340 -0.000 0.000 0.271 409 L C 0.813 177.652 176.870 -0.050 0.000 1.057 409 L CA -0.757 54.076 54.840 -0.011 0.000 0.803 409 L CB 0.664 42.722 42.059 -0.002 0.000 1.207 409 L HN 0.514 nan 8.230 nan 0.000 0.445 410 G N 0.233 109.029 108.800 -0.007 0.000 2.476 410 G HA2 0.622 4.582 3.960 -0.000 0.000 0.286 410 G HA3 0.622 4.582 3.960 -0.000 0.000 0.286 410 G C -0.720 174.150 174.900 -0.050 0.000 1.177 410 G CA -0.174 44.858 45.100 -0.112 0.000 0.870 410 G HN 1.199 nan 8.290 nan 0.000 0.528 411 V N -1.175 118.634 119.914 -0.175 0.000 2.808 411 V HA 0.549 4.668 4.120 -0.000 0.000 0.308 411 V C -1.120 175.036 176.094 0.105 0.000 1.099 411 V CA -1.627 60.669 62.300 -0.007 0.000 0.920 411 V CB 1.944 33.739 31.823 -0.046 0.000 1.014 411 V HN 0.482 nan 8.190 nan 0.000 0.425 412 N N 2.731 121.548 118.700 0.194 0.000 2.406 412 N HA 0.603 5.343 4.740 -0.000 0.000 0.251 412 N C -0.369 175.287 175.510 0.243 0.000 1.069 412 N CA -0.078 53.134 53.050 0.271 0.000 0.947 412 N CB 1.549 40.190 38.487 0.256 0.000 1.111 412 N HN 0.701 nan 8.380 nan 0.000 0.497 413 V N 3.256 123.298 119.914 0.214 0.000 2.834 413 V HA 0.746 4.865 4.120 -0.000 0.000 0.313 413 V C -0.393 175.813 176.094 0.187 0.000 1.060 413 V CA -0.437 61.896 62.300 0.055 0.000 0.989 413 V CB 0.839 32.695 31.823 0.056 0.000 1.041 413 V HN 0.653 nan 8.190 nan 0.000 0.459 414 F N 0.384 120.386 119.950 0.088 0.000 2.843 414 F HA 0.559 5.086 4.527 -0.000 0.000 0.323 414 F C -1.227 174.612 175.800 0.065 0.000 1.142 414 F CA -1.739 56.313 58.000 0.085 0.000 0.925 414 F CB 0.973 40.013 39.000 0.067 0.000 1.277 414 F HN 0.492 nan 8.300 nan 0.000 0.446 415 K N 0.418 120.969 120.400 0.251 0.000 2.203 415 K HA 0.721 5.040 4.320 -0.000 0.000 0.251 415 K C -1.668 175.104 176.600 0.287 0.000 0.944 415 K CA -0.753 55.627 56.287 0.155 0.000 0.829 415 K CB 2.473 35.026 32.500 0.090 0.000 1.125 415 K HN 0.686 nan 8.250 nan 0.000 0.430 416 D N 2.738 123.269 120.400 0.218 0.000 2.846 416 D HA 0.192 4.831 4.640 -0.000 0.000 0.279 416 D C -2.343 174.022 176.300 0.107 0.000 1.222 416 D CA -1.432 52.681 54.000 0.187 0.000 0.769 416 D CB 0.806 41.758 40.800 0.254 0.000 1.299 416 D HN 0.445 nan 8.370 nan 0.000 0.537 417 P HA -0.056 nan 4.420 nan 0.000 0.262 417 P C 1.294 178.620 177.300 0.042 0.000 1.182 417 P CA -0.218 62.912 63.100 0.049 0.000 0.761 417 P CB 1.687 33.409 31.700 0.037 0.000 0.795 418 V N 3.667 123.603 119.914 0.037 0.000 2.332 418 V HA -0.259 3.860 4.120 -0.000 0.000 0.248 418 V C 2.098 178.205 176.094 0.022 0.000 1.055 418 V CA 2.641 64.959 62.300 0.030 0.000 1.038 418 V CB -1.069 30.769 31.823 0.025 0.000 0.651 418 V HN 0.692 nan 8.190 nan 0.000 0.450 419 A N -0.900 121.931 122.820 0.018 0.000 2.255 419 A HA 0.058 4.378 4.320 -0.000 0.000 0.206 419 A C 0.859 178.451 177.584 0.012 0.000 1.193 419 A CA 1.015 53.060 52.037 0.013 0.000 0.794 419 A CB -0.307 18.699 19.000 0.010 0.000 0.794 419 A HN 0.692 nan 8.150 nan 0.000 0.481 420 D N -1.075 119.335 120.400 0.016 0.000 2.362 420 D HA 0.076 4.716 4.640 -0.000 0.000 0.228 420 D C -2.658 173.653 176.300 0.019 0.000 1.326 420 D CA -0.649 53.359 54.000 0.014 0.000 0.927 420 D CB 1.330 42.137 40.800 0.011 0.000 1.501 420 D HN 0.026 nan 8.370 nan 0.000 0.519 421 P HA -0.032 nan 4.420 nan 0.000 0.223 421 P C 0.798 178.104 177.300 0.010 0.000 1.151 421 P CA 0.480 63.588 63.100 0.014 0.000 0.787 421 P CB 0.249 31.953 31.700 0.007 0.000 0.788 422 N N -0.096 118.608 118.700 0.007 0.000 2.575 422 N HA -0.005 4.734 4.740 -0.000 0.000 0.192 422 N C 1.355 176.868 175.510 0.005 0.000 1.200 422 N CA 0.138 53.190 53.050 0.003 0.000 0.897 422 N CB 0.008 38.494 38.487 -0.001 0.000 0.990 422 N HN 0.155 nan 8.380 nan 0.000 0.449 423 K N 0.063 120.472 120.400 0.016 0.000 2.391 423 K HA 0.145 4.465 4.320 -0.000 0.000 0.197 423 K C -0.173 176.456 176.600 0.049 0.000 1.087 423 K CA -0.216 56.085 56.287 0.023 0.000 1.012 423 K CB 0.621 33.136 32.500 0.025 0.000 0.925 423 K HN 0.059 nan 8.250 nan 0.000 0.547 424 R N 2.487 123.019 120.500 0.053 0.000 2.504 424 R HA -0.061 4.279 4.340 -0.000 0.000 0.302 424 R C 0.274 176.628 176.300 0.090 0.000 0.893 424 R CA 0.248 56.394 56.100 0.076 0.000 1.138 424 R CB -0.081 30.228 30.300 0.015 0.000 0.880 424 R HN 0.136 nan 8.270 nan 0.000 0.415 425 S N 2.616 118.418 115.700 0.170 0.000 2.672 425 S HA 0.288 4.758 4.470 -0.000 0.000 0.276 425 S C 0.007 174.715 174.600 0.179 0.000 1.207 425 S CA -1.079 57.252 58.200 0.220 0.000 1.002 425 S CB 1.591 64.956 63.200 0.274 0.000 0.998 425 S HN 0.407 nan 8.310 nan 0.000 0.542 426 K N 1.063 121.565 120.400 0.170 0.000 2.258 426 K HA 0.233 4.553 4.320 -0.000 0.000 0.264 426 K C -0.029 176.559 176.600 -0.020 0.000 1.007 426 K CA -0.281 55.943 56.287 -0.105 0.000 0.941 426 K CB 0.446 32.644 32.500 -0.503 0.000 0.966 426 K HN 0.733 nan 8.250 nan 0.000 0.480 427 K N 0.174 120.547 120.400 -0.045 0.000 2.324 427 K HA 0.646 4.965 4.320 -0.000 0.000 0.253 427 K C -0.029 176.607 176.600 0.060 0.000 0.932 427 K CA -0.743 55.613 56.287 0.116 0.000 0.799 427 K CB 1.844 34.451 32.500 0.179 0.000 1.154 427 K HN 0.691 nan 8.250 nan 0.000 0.425 428 G N 1.786 110.679 108.800 0.156 0.000 2.615 428 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.218 428 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.218 428 G C -1.184 173.689 174.900 -0.045 0.000 1.339 428 G CA -0.865 44.290 45.100 0.091 0.000 0.884 428 G HN 0.681 nan 8.290 nan 0.000 0.559 429 R N -0.009 120.276 120.500 -0.357 0.000 2.248 429 R HA 0.470 4.810 4.340 -0.000 0.000 0.328 429 R C 0.512 176.679 176.300 -0.221 0.000 1.067 429 R CA -0.259 55.508 56.100 -0.555 0.000 0.924 429 R CB 0.225 30.015 30.300 -0.850 0.000 1.013 429 R HN 0.421 nan 8.270 nan 0.000 0.454 430 L N 1.617 122.842 121.223 0.004 0.000 2.416 430 L HA 0.509 4.849 4.340 -0.000 0.000 0.262 430 L C 0.303 177.167 176.870 -0.011 0.000 1.093 430 L CA -0.540 54.278 54.840 -0.037 0.000 0.801 430 L CB 1.527 43.516 42.059 -0.117 0.000 1.191 430 L HN 0.664 nan 8.230 nan 0.000 0.459 431 S N 1.357 117.009 115.700 -0.079 0.000 2.543 431 S HA 0.478 4.948 4.470 -0.000 0.000 0.271 431 S C -1.256 173.096 174.600 -0.412 0.000 1.148 431 S CA -0.837 57.257 58.200 -0.177 0.000 0.914 431 S CB 1.790 64.983 63.200 -0.012 0.000 1.096 431 S HN 0.453 nan 8.310 nan 0.000 0.471 432 L N 4.212 125.141 121.223 -0.489 0.000 2.264 432 L HA 0.578 4.918 4.340 -0.000 0.000 0.289 432 L C -0.987 175.543 176.870 -0.566 0.000 1.044 432 L CA 0.311 54.924 54.840 -0.379 0.000 0.807 432 L CB 0.175 42.129 42.059 -0.175 0.000 1.192 432 L HN 0.928 nan 8.230 nan 0.000 0.425 433 H N 4.298 123.403 119.070 0.059 0.000 2.865 433 H HA 0.383 4.939 4.556 -0.000 0.000 0.372 433 H C -0.747 174.614 175.328 0.054 0.000 1.173 433 H CA -0.801 55.284 56.048 0.062 0.000 1.147 433 H CB 2.158 31.943 29.762 0.038 0.000 1.805 433 H HN 0.516 nan 8.280 nan 0.000 0.553 434 R N 1.464 122.048 120.500 0.140 0.000 2.265 434 R HA 0.193 4.532 4.340 -0.000 0.000 0.314 434 R C 0.178 176.517 176.300 0.064 0.000 1.053 434 R CA -0.318 55.738 56.100 -0.073 0.000 0.931 434 R CB 0.567 30.797 30.300 -0.116 0.000 1.024 434 R HN 0.819 nan 8.270 nan 0.000 0.457 435 T N 1.297 115.863 114.554 0.019 0.000 2.726 435 T HA 0.211 4.560 4.350 -0.000 0.000 0.294 435 T C -1.384 173.325 174.700 0.015 0.000 1.013 435 T CA -1.238 60.940 62.100 0.129 0.000 0.996 435 T CB 0.983 69.903 68.868 0.087 0.000 1.016 435 T HN 0.521 nan 8.240 nan 0.000 0.529 436 P HA 0.186 nan 4.420 nan 0.000 0.241 436 P C 0.597 177.869 177.300 -0.046 0.000 1.191 436 P CA 0.283 63.346 63.100 -0.062 0.000 0.771 436 P CB -0.141 31.500 31.700 -0.099 0.000 0.929 437 A N -0.505 122.297 122.820 -0.031 0.000 2.460 437 A HA 0.582 4.902 4.320 -0.000 0.000 0.258 437 A C 1.597 179.152 177.584 -0.048 0.000 1.300 437 A CA 0.409 52.428 52.037 -0.030 0.000 0.913 437 A CB -0.787 18.206 19.000 -0.011 0.000 1.031 437 A HN 0.248 nan 8.150 nan 0.000 0.512 438 G N -0.685 108.065 108.800 -0.083 0.000 2.417 438 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.233 438 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.233 438 G C 0.925 175.672 174.900 -0.254 0.000 1.103 438 G CA 0.680 45.700 45.100 -0.133 0.000 0.647 438 G HN 0.722 nan 8.290 nan 0.000 0.512 439 T N 0.953 115.404 114.554 -0.172 0.000 3.193 439 T HA 0.515 4.864 4.350 -0.000 0.000 0.407 439 T C 0.373 174.816 174.700 -0.427 0.000 1.146 439 T CA 0.836 62.834 62.100 -0.171 0.000 1.085 439 T CB 0.197 69.089 68.868 0.039 0.000 1.424 439 T HN 0.304 nan 8.240 nan 0.000 0.521 440 F N -1.081 118.886 119.950 0.030 0.000 2.611 440 F HA 0.698 5.224 4.527 -0.000 0.000 0.324 440 F C -0.458 175.342 175.800 -0.001 0.000 1.061 440 F CA -1.049 56.962 58.000 0.019 0.000 0.954 440 F CB 1.829 40.826 39.000 -0.004 0.000 1.301 440 F HN 0.102 nan 8.300 nan 0.000 0.482 441 V N 0.481 120.503 119.914 0.181 0.000 2.752 441 V HA 0.329 4.449 4.120 -0.000 0.000 0.302 441 V C -0.961 175.118 176.094 -0.026 0.000 1.133 441 V CA -0.869 61.439 62.300 0.013 0.000 0.919 441 V CB 2.085 33.808 31.823 -0.166 0.000 1.026 441 V HN 0.769 nan 8.190 nan 0.000 0.429 442 T N 6.318 120.836 114.554 -0.061 0.000 2.762 442 T HA 0.578 4.928 4.350 -0.000 0.000 0.303 442 T C -0.148 174.479 174.700 -0.121 0.000 0.977 442 T CA -0.125 61.916 62.100 -0.097 0.000 0.961 442 T CB 0.266 69.074 68.868 -0.099 0.000 0.944 442 T HN 0.343 nan 8.240 nan 0.000 0.481 443 L N 3.549 124.715 121.223 -0.095 0.000 2.350 443 L HA 0.445 4.785 4.340 -0.000 0.000 0.275 443 L C 0.868 177.679 176.870 -0.098 0.000 1.099 443 L CA -0.538 54.243 54.840 -0.098 0.000 0.808 443 L CB 1.003 43.046 42.059 -0.028 0.000 1.149 443 L HN 0.574 nan 8.230 nan 0.000 0.442 444 E N 1.209 121.343 120.200 -0.110 0.000 2.285 444 E HA 0.244 4.593 4.350 -0.000 0.000 0.254 444 E C -0.523 176.019 176.600 -0.097 0.000 1.011 444 E CA -0.838 55.492 56.400 -0.116 0.000 0.873 444 E CB 0.802 30.428 29.700 -0.124 0.000 1.229 444 E HN 0.465 nan 8.360 nan 0.000 0.422 445 E N -0.123 120.019 120.200 -0.096 0.000 2.199 445 E HA -0.286 4.064 4.350 -0.000 0.000 0.208 445 E C 0.588 177.117 176.600 -0.118 0.000 1.310 445 E CA 0.332 56.678 56.400 -0.089 0.000 0.709 445 E CB -1.929 27.744 29.700 -0.045 0.000 1.127 445 E HN 0.943 nan 8.360 nan 0.000 0.354 446 G N 0.151 108.847 108.800 -0.173 0.000 2.216 446 G HA2 -0.476 3.484 3.960 -0.000 0.000 0.269 446 G HA3 -0.476 3.484 3.960 -0.000 0.000 0.269 446 G C 0.940 175.791 174.900 -0.082 0.000 0.981 446 G CA 1.106 46.108 45.100 -0.162 0.000 0.658 446 G HN 0.469 nan 8.290 nan 0.000 0.539 447 K N 0.043 120.405 120.400 -0.062 0.000 2.286 447 K HA -0.065 4.255 4.320 -0.000 0.000 0.203 447 K C 2.580 179.167 176.600 -0.022 0.000 1.045 447 K CA 0.936 57.200 56.287 -0.038 0.000 0.935 447 K CB -0.372 32.104 32.500 -0.040 0.000 0.737 447 K HN 0.431 nan 8.250 nan 0.000 0.460 448 G N 1.002 109.813 108.800 0.019 0.000 2.708 448 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.210 448 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.210 448 G C 0.822 175.728 174.900 0.010 0.000 1.141 448 G CA 0.398 45.548 45.100 0.084 0.000 0.788 448 G HN 0.221 nan 8.290 nan 0.000 0.531 449 D N 0.080 120.476 120.400 -0.006 0.000 2.355 449 D HA 0.060 4.700 4.640 -0.000 0.000 0.218 449 D C 2.102 178.388 176.300 -0.022 0.000 1.004 449 D CA 0.076 54.070 54.000 -0.010 0.000 0.880 449 D CB 0.290 41.076 40.800 -0.022 0.000 0.911 449 D HN 0.318 nan 8.370 nan 0.000 0.528 450 L N 0.857 122.060 121.223 -0.033 0.000 2.627 450 L HA -0.013 4.327 4.340 -0.000 0.000 0.233 450 L C 0.887 177.724 176.870 -0.055 0.000 1.144 450 L CA 0.124 54.945 54.840 -0.033 0.000 0.892 450 L CB -0.122 41.927 42.059 -0.018 0.000 1.039 450 L HN -0.143 nan 8.230 nan 0.000 0.442 451 E N -0.939 119.214 120.200 -0.079 0.000 4.537 451 E HA -0.400 3.949 4.350 -0.000 0.000 0.247 451 E C 1.301 177.806 176.600 -0.158 0.000 0.792 451 E CA 1.977 58.306 56.400 -0.118 0.000 1.356 451 E CB -1.151 28.498 29.700 -0.084 0.000 1.709 451 E HN 0.848 nan 8.360 nan 0.000 0.385 452 E N 0.253 120.382 120.200 -0.119 0.000 2.233 452 E HA -0.255 4.094 4.350 -0.000 0.000 0.210 452 E C 0.913 177.339 176.600 -0.290 0.000 1.046 452 E CA 2.154 58.452 56.400 -0.170 0.000 0.844 452 E CB -0.655 28.989 29.700 -0.093 0.000 0.741 452 E HN 0.523 nan 8.360 nan 0.000 0.465 453 Y N 1.481 121.604 120.300 -0.295 0.000 2.724 453 Y HA 0.402 4.952 4.550 -0.000 0.000 0.370 453 Y C 1.158 176.871 175.900 -0.312 0.000 0.978 453 Y CA 0.061 57.988 58.100 -0.288 0.000 1.443 453 Y CB 0.851 39.143 38.460 -0.281 0.000 1.386 453 Y HN 0.343 nan 8.280 nan 0.000 0.557 454 G N 0.288 108.968 108.800 -0.199 0.000 2.598 454 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.269 454 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.269 454 G C -0.338 174.390 174.900 -0.287 0.000 1.289 454 G CA -0.417 44.518 45.100 -0.275 0.000 0.926 454 G HN 0.494 nan 8.290 nan 0.000 0.567 455 H N 0.419 119.576 119.070 0.145 0.000 2.495 455 H HA 0.474 5.030 4.556 -0.000 0.000 0.350 455 H C -0.083 175.446 175.328 0.335 0.000 1.202 455 H CA 0.006 56.173 56.048 0.197 0.000 1.322 455 H CB 1.053 30.894 29.762 0.131 0.000 1.544 455 H HN 0.573 nan 8.280 nan 0.000 0.565 456 D N 0.994 121.625 120.400 0.385 0.000 2.343 456 D HA 0.045 4.684 4.640 -0.000 0.000 0.255 456 D C 0.840 177.138 176.300 -0.002 0.000 1.187 456 D CA -0.126 53.922 54.000 0.079 0.000 0.875 456 D CB 0.509 41.348 40.800 0.065 0.000 1.136 456 D HN 0.364 nan 8.370 nan 0.000 0.469 457 L N 3.166 124.334 121.223 -0.092 0.000 2.552 457 L HA 0.093 4.433 4.340 -0.000 0.000 0.227 457 L C 0.726 177.384 176.870 -0.352 0.000 1.146 457 L CA 0.093 54.832 54.840 -0.168 0.000 0.858 457 L CB -0.333 41.716 42.059 -0.016 0.000 0.969 457 L HN 0.357 nan 8.230 nan 0.000 0.451 458 L N 0.405 121.493 121.223 -0.225 0.000 2.361 458 L HA 0.135 4.474 4.340 -0.000 0.000 0.278 458 L C -0.187 176.621 176.870 -0.104 0.000 1.113 458 L CA -0.018 54.728 54.840 -0.156 0.000 0.849 458 L CB 0.216 42.237 42.059 -0.063 0.000 1.155 458 L HN 0.158 nan 8.230 nan 0.000 0.452 459 H N 1.045 120.175 119.070 0.100 0.000 2.463 459 H HA 0.204 4.760 4.556 -0.000 0.000 0.332 459 H C -0.025 175.381 175.328 0.130 0.000 1.127 459 H CA -0.745 55.378 56.048 0.125 0.000 1.238 459 H CB 1.349 31.215 29.762 0.174 0.000 1.478 459 H HN 0.460 nan 8.280 nan 0.000 0.499 460 T N 2.541 117.248 114.554 0.254 0.000 2.853 460 T HA 0.052 4.401 4.350 -0.000 0.000 0.298 460 T C 1.303 176.116 174.700 0.188 0.000 0.978 460 T CA -0.016 62.195 62.100 0.185 0.000 1.152 460 T CB 0.216 69.162 68.868 0.130 0.000 0.914 460 T HN 0.569 nan 8.240 nan 0.000 0.539 461 V N 1.393 121.429 119.914 0.203 0.000 3.604 461 V HA 0.567 4.686 4.120 -0.000 0.000 0.277 461 V C -0.131 176.105 176.094 0.238 0.000 1.399 461 V CA -0.199 62.227 62.300 0.209 0.000 1.034 461 V CB -0.233 31.731 31.823 0.236 0.000 0.824 461 V HN 0.628 nan 8.190 nan 0.000 0.439 462 F N 1.539 121.512 119.950 0.038 0.000 2.607 462 F HA 0.806 5.333 4.527 -0.000 0.000 0.322 462 F C -0.815 174.993 175.800 0.014 0.000 1.176 462 F CA -0.906 57.101 58.000 0.011 0.000 0.977 462 F CB 1.993 40.987 39.000 -0.010 0.000 1.242 462 F HN -0.032 nan 8.300 nan 0.000 0.465 463 K N 4.604 124.724 120.400 -0.466 0.000 2.535 463 K HA 0.395 4.715 4.320 -0.000 0.000 0.250 463 K C -0.749 175.567 176.600 -0.474 0.000 0.948 463 K CA -0.539 55.569 56.287 -0.298 0.000 0.796 463 K CB 0.882 33.296 32.500 -0.143 0.000 1.216 463 K HN 0.576 nan 8.250 nan 0.000 0.432 464 N N 3.331 121.831 118.700 -0.332 0.000 2.691 464 N HA -0.238 4.502 4.740 -0.000 0.000 0.277 464 N C 0.358 175.686 175.510 -0.303 0.000 1.029 464 N CA 1.601 54.480 53.050 -0.284 0.000 0.798 464 N CB -0.892 37.472 38.487 -0.205 0.000 0.922 464 N HN 1.082 nan 8.380 nan 0.000 0.562 465 G N -0.777 107.726 108.800 -0.495 0.000 2.212 465 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.267 465 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.267 465 G C -0.055 174.560 174.900 -0.475 0.000 1.002 465 G CA 0.898 45.794 45.100 -0.339 0.000 0.729 465 G HN 0.490 nan 8.290 nan 0.000 0.517 466 K N -0.145 119.798 120.400 -0.762 0.000 2.443 466 K HA 0.504 4.824 4.320 -0.000 0.000 0.252 466 K C 0.045 176.431 176.600 -0.357 0.000 0.933 466 K CA -0.917 55.144 56.287 -0.378 0.000 0.792 466 K CB 2.270 34.666 32.500 -0.173 0.000 1.185 466 K HN 0.037 nan 8.250 nan 0.000 0.425 467 V N 3.802 123.652 119.914 -0.107 0.000 2.416 467 V HA -0.058 4.061 4.120 -0.000 0.000 0.267 467 V C 1.595 177.670 176.094 -0.031 0.000 1.007 467 V CA 0.827 63.131 62.300 0.007 0.000 1.102 467 V CB -0.283 31.565 31.823 0.040 0.000 1.035 467 V HN 0.884 nan 8.190 nan 0.000 0.473 468 T N 1.618 116.159 114.554 -0.021 0.000 3.100 468 T HA 0.143 4.493 4.350 -0.000 0.000 0.253 468 T C 0.496 175.190 174.700 -0.011 0.000 1.118 468 T CA 0.090 62.176 62.100 -0.024 0.000 1.058 468 T CB 0.192 69.050 68.868 -0.018 0.000 0.953 468 T HN 0.538 nan 8.240 nan 0.000 0.515 469 K N 0.992 121.401 120.400 0.015 0.000 2.584 469 K HA 0.361 4.680 4.320 -0.000 0.000 0.260 469 K C -1.535 175.072 176.600 0.013 0.000 0.949 469 K CA -0.314 55.959 56.287 -0.024 0.000 0.888 469 K CB 1.705 34.203 32.500 -0.003 0.000 1.330 469 K HN 0.225 nan 8.250 nan 0.000 0.432 470 S N 2.369 118.009 115.700 -0.100 0.000 2.638 470 S HA 0.698 5.168 4.470 -0.000 0.000 0.302 470 S C -1.334 173.146 174.600 -0.200 0.000 1.096 470 S CA -0.589 57.597 58.200 -0.023 0.000 0.953 470 S CB 1.079 64.261 63.200 -0.031 0.000 1.107 470 S HN 0.425 nan 8.310 nan 0.000 0.503 471 Y N 1.003 121.361 120.300 0.096 0.000 2.425 471 Y HA 0.562 5.111 4.550 -0.000 0.000 0.344 471 Y C 0.787 176.832 175.900 0.241 0.000 0.969 471 Y CA -0.645 57.555 58.100 0.166 0.000 1.052 471 Y CB 2.160 40.753 38.460 0.221 0.000 1.215 471 Y HN 0.971 nan 8.280 nan 0.000 0.451 472 S N 1.394 117.281 115.700 0.311 0.000 2.614 472 S HA 0.120 4.589 4.470 -0.000 0.000 0.265 472 S C 0.649 175.507 174.600 0.430 0.000 1.303 472 S CA -0.429 57.964 58.200 0.321 0.000 1.000 472 S CB 0.444 63.761 63.200 0.193 0.000 0.935 472 S HN 0.631 nan 8.310 nan 0.000 0.551 473 F N 1.176 121.272 119.950 0.244 0.000 2.365 473 F HA 0.056 4.583 4.527 -0.000 0.000 0.300 473 F C 1.245 177.066 175.800 0.035 0.000 1.090 473 F CA 0.882 58.950 58.000 0.112 0.000 1.408 473 F CB -0.677 38.343 39.000 0.033 0.000 1.060 473 F HN 0.656 nan 8.300 nan 0.000 0.534 474 D N -0.586 119.864 120.400 0.083 0.000 2.269 474 D HA -0.113 4.527 4.640 -0.000 0.000 0.208 474 D C 1.994 178.270 176.300 -0.040 0.000 0.963 474 D CA 1.020 55.011 54.000 -0.014 0.000 0.864 474 D CB -0.091 40.739 40.800 0.050 0.000 0.936 474 D HN 0.404 nan 8.370 nan 0.000 0.505 475 E N 0.348 120.572 120.200 0.041 0.000 2.021 475 E HA -0.078 4.272 4.350 -0.000 0.000 0.189 475 E C 2.262 178.862 176.600 -0.000 0.000 0.980 475 E CA 0.510 56.962 56.400 0.086 0.000 0.803 475 E CB -0.089 29.762 29.700 0.251 0.000 0.766 475 E HN 0.036 nan 8.360 nan 0.000 0.449 476 V N 1.809 121.710 119.914 -0.022 0.000 2.277 476 V HA -0.344 3.776 4.120 -0.000 0.000 0.253 476 V C 2.391 178.281 176.094 -0.339 0.000 1.067 476 V CA 2.049 64.249 62.300 -0.167 0.000 1.047 476 V CB -0.591 31.084 31.823 -0.246 0.000 0.649 476 V HN 0.229 nan 8.190 nan 0.000 0.447 477 R N -0.294 119.916 120.500 -0.484 0.000 2.080 477 R HA -0.235 4.105 4.340 -0.000 0.000 0.236 477 R C 2.445 178.588 176.300 -0.262 0.000 1.137 477 R CA 1.988 57.814 56.100 -0.457 0.000 0.943 477 R CB -0.407 29.626 30.300 -0.445 0.000 0.846 477 R HN 0.341 nan 8.270 nan 0.000 0.431 478 K N 1.123 121.424 120.400 -0.166 0.000 1.991 478 K HA -0.152 4.168 4.320 -0.000 0.000 0.212 478 K C 1.605 178.155 176.600 -0.083 0.000 1.049 478 K CA 1.868 58.096 56.287 -0.097 0.000 0.932 478 K CB -0.561 31.915 32.500 -0.040 0.000 0.717 478 K HN 0.127 nan 8.250 nan 0.000 0.441 479 N N 0.459 119.122 118.700 -0.061 0.000 2.132 479 N HA -0.191 4.549 4.740 -0.000 0.000 0.191 479 N C 1.384 176.855 175.510 -0.066 0.000 1.015 479 N CA 1.684 54.713 53.050 -0.036 0.000 0.864 479 N CB -0.426 38.050 38.487 -0.018 0.000 1.006 479 N HN 0.388 nan 8.380 nan 0.000 0.430 480 A N 0.474 123.215 122.820 -0.132 0.000 2.251 480 A HA 0.003 4.323 4.320 -0.000 0.000 0.209 480 A C 1.054 178.538 177.584 -0.166 0.000 1.187 480 A CA -0.126 51.816 52.037 -0.157 0.000 0.823 480 A CB -0.158 18.700 19.000 -0.237 0.000 0.846 480 A HN 0.232 nan 8.150 nan 0.000 0.486 481 Q N 0.389 120.100 119.800 -0.148 0.000 2.414 481 Q HA 0.259 4.599 4.340 -0.000 0.000 0.288 481 Q C 0.044 175.978 176.000 -0.109 0.000 1.086 481 Q CA 0.594 56.312 55.803 -0.141 0.000 0.943 481 Q CB 0.152 28.827 28.738 -0.105 0.000 1.282 481 Q HN 0.498 nan 8.270 nan 0.000 0.438 482 L N 2.105 123.260 121.223 -0.114 0.000 2.855 482 L HA 0.313 4.653 4.340 -0.000 0.000 0.204 482 L C 0.836 177.677 176.870 -0.048 0.000 1.206 482 L CA -0.695 54.097 54.840 -0.081 0.000 0.942 482 L CB -0.073 41.931 42.059 -0.091 0.000 1.832 482 L HN 0.962 nan 8.230 nan 0.000 0.522 483 N N 0.000 118.680 118.700 -0.033 0.000 1.763 483 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 483 N CA 0.000 53.039 53.050 -0.018 0.000 0.885 483 N CB 0.000 38.474 38.487 -0.022 0.000 1.341 483 N HN 0.000 nan 8.380 nan 0.000 0.667