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 2xpz_1_A DATA FIRST_RESID 40 DATA SEQUENCE MLPLSIEQRR PSRSPEYDQS TLSNYKDFAV LHTDLNLSVS FEKSAISGSV DATA SEQUENCE TFQLKKLHEX XXKSDELHLD TSYLDVQEVH IDGSKADFQI EQRKEPLGSR DATA SEQUENCE LVINNASCND NFTLNIQFRT TDKCTALQWL NSKQTKGGKP YVFSQLEAIH DATA SEQUENCE ARSLFPCFDT PSVKSTFTAS IESPLPVVFS GIRIEDTXXD TNIYRFEQKV DATA SEQUENCE PIPAYLIGIA SGDLSSAPIG PRSTVYTEPF RLKDCQWEFE NDVEKFIQTA DATA SEQUENCE EKIIFEYEWG TYDILVNVDS YPYGGMESPN MTFATPTLIA HDRSNIDVIA DATA SEQUENCE HELAHSWSGN LVTNCSWNHF WLNEGWTVYL ERRIIGAIHG EPTRHFSALI DATA SEQUENCE GWSDLQNSID SMKDPERFST LVQNLNDNTD PDDAFSTVPY EKGFNLLFHL DATA SEQUENCE ETILGGKAEF DPFIRHYFKK FAKKSLDTFQ FLDTLYEFYP EKKEILDSVD DATA SEQUENCE WETWLYKPGM PPRPHFITAL ADNVYQLADK WVEMAQHLKT TEDFRSEFNA DATA SEQUENCE IDIKDFNSNQ LVLFLETLTQ NGHSNKKPKD FDWAKFPVAS RALLDIYQDN DATA SEQUENCE IVKSQNAEVV FKMFKFQIFA KLQEEYKHLA DWLGTVGRMK FVRPGYRLLN DATA SEQUENCE SVDRRLALAT FDKFKDTYHP ICKALVKQDL GL 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 40 M HA 0.000 nan 4.480 nan 0.000 0.227 40 M C 0.000 176.154 176.300 -0.243 0.000 1.140 40 M CA 0.000 55.247 55.300 -0.089 0.000 0.988 40 M CB 0.000 32.578 32.600 -0.037 0.000 1.302 41 L N -1.961 119.081 121.223 -0.302 0.000 2.350 41 L HA 0.884 5.215 4.340 -0.015 0.000 0.260 41 L C -2.720 174.019 176.870 -0.217 0.000 1.015 41 L CA -1.871 52.654 54.840 -0.525 0.000 0.821 41 L CB -0.555 41.019 42.059 -0.808 0.000 1.370 41 L HN -0.230 nan 8.230 nan 0.000 0.416 42 P HA 0.048 nan 4.420 nan 0.000 0.257 42 P C -0.284 177.049 177.300 0.055 0.000 1.162 42 P CA 0.190 63.315 63.100 0.041 0.000 0.762 42 P CB 0.252 32.066 31.700 0.189 0.000 0.753 43 L N 3.254 124.508 121.223 0.052 0.000 2.483 43 L HA 0.022 4.353 4.340 -0.015 0.000 0.276 43 L C 0.883 177.805 176.870 0.087 0.000 1.213 43 L CA 0.431 55.307 54.840 0.060 0.000 0.843 43 L CB 0.579 42.663 42.059 0.042 0.000 1.107 43 L HN 0.414 nan 8.230 nan 0.000 0.487 44 S N 3.077 118.829 115.700 0.087 0.000 2.573 44 S HA 0.128 4.589 4.470 -0.015 0.000 0.244 44 S C 1.189 175.838 174.600 0.082 0.000 0.984 44 S CA -0.524 57.714 58.200 0.063 0.000 1.001 44 S CB -0.144 63.077 63.200 0.036 0.000 0.788 44 S HN 0.611 nan 8.310 nan 0.000 0.456 45 I N 2.329 122.977 120.570 0.130 0.000 2.394 45 I HA -0.050 4.111 4.170 -0.015 0.000 0.251 45 I C 2.495 178.764 176.117 0.255 0.000 1.136 45 I CA 0.970 62.389 61.300 0.198 0.000 1.425 45 I CB -0.484 37.627 38.000 0.186 0.000 1.079 45 I HN 0.300 nan 8.210 nan 0.000 0.425 46 E N 0.098 120.382 120.200 0.140 0.000 2.106 46 E HA -0.267 4.074 4.350 -0.015 0.000 0.192 46 E C 2.180 178.810 176.600 0.051 0.000 0.984 46 E CA 1.090 57.547 56.400 0.095 0.000 0.806 46 E CB -0.144 29.578 29.700 0.036 0.000 0.750 46 E HN 0.411 nan 8.360 nan 0.000 0.458 47 Q N 0.069 119.894 119.800 0.042 0.000 2.197 47 Q HA -0.145 4.186 4.340 -0.015 0.000 0.207 47 Q C 1.724 177.723 176.000 -0.001 0.000 0.984 47 Q CA 1.829 57.638 55.803 0.009 0.000 0.869 47 Q CB 0.036 28.777 28.738 0.004 0.000 0.906 47 Q HN 0.159 nan 8.270 nan 0.000 0.426 48 R N -0.483 120.048 120.500 0.052 0.000 2.276 48 R HA 0.107 4.438 4.340 -0.015 0.000 0.196 48 R C 0.352 176.608 176.300 -0.074 0.000 0.961 48 R CA -0.158 55.983 56.100 0.070 0.000 1.024 48 R CB 0.031 30.386 30.300 0.092 0.000 0.940 48 R HN 0.041 nan 8.270 nan 0.000 0.480 49 R N 2.876 123.212 120.500 -0.273 0.000 2.488 49 R HA 0.003 4.334 4.340 -0.015 0.000 0.317 49 R C -2.156 173.802 176.300 -0.571 0.000 0.941 49 R CA -1.128 54.430 56.100 -0.903 0.000 1.076 49 R CB 0.207 30.271 30.300 -0.393 0.000 0.917 49 R HN -0.141 nan 8.270 nan 0.000 0.407 50 P HA -0.077 nan 4.420 nan 0.000 0.271 50 P C 0.167 177.364 177.300 -0.173 0.000 1.233 50 P CA 0.076 63.033 63.100 -0.239 0.000 0.795 50 P CB 0.610 32.230 31.700 -0.133 0.000 0.936 51 S N -1.060 114.589 115.700 -0.084 0.000 2.406 51 S HA 0.032 4.493 4.470 -0.015 0.000 0.224 51 S C 0.851 175.426 174.600 -0.043 0.000 1.030 51 S CA 0.606 58.770 58.200 -0.061 0.000 0.958 51 S CB -0.113 63.063 63.200 -0.040 0.000 0.811 51 S HN 0.294 nan 8.310 nan 0.000 0.489 52 R N 2.384 122.870 120.500 -0.023 0.000 2.561 52 R HA 0.556 4.887 4.340 -0.015 0.000 0.297 52 R C -1.086 175.221 176.300 0.012 0.000 0.969 52 R CA -0.658 55.441 56.100 -0.001 0.000 0.879 52 R CB 1.677 31.986 30.300 0.015 0.000 1.178 52 R HN 0.316 nan 8.270 nan 0.000 0.445 53 S N 3.952 119.660 115.700 0.014 0.000 2.501 53 S HA 0.750 5.211 4.470 -0.015 0.000 0.301 53 S C -2.493 172.131 174.600 0.039 0.000 1.096 53 S CA -1.470 56.746 58.200 0.027 0.000 1.063 53 S CB 1.648 64.872 63.200 0.040 0.000 1.042 53 S HN 0.447 nan 8.310 nan 0.000 0.494 54 P HA 0.194 nan 4.420 nan 0.000 0.268 54 P C -0.176 177.140 177.300 0.027 0.000 1.205 54 P CA -0.304 62.800 63.100 0.006 0.000 0.771 54 P CB 0.297 31.991 31.700 -0.009 0.000 0.858 55 E N 1.915 122.114 120.200 -0.002 0.000 2.481 55 E HA -0.103 4.238 4.350 -0.015 0.000 0.263 55 E C -0.701 175.988 176.600 0.148 0.000 0.992 55 E CA -0.161 56.286 56.400 0.078 0.000 0.938 55 E CB 0.194 29.956 29.700 0.103 0.000 0.933 55 E HN 0.345 nan 8.360 nan 0.000 0.453 56 Y N 3.154 123.518 120.300 0.107 0.000 2.497 56 Y HA -0.019 4.522 4.550 -0.015 0.000 0.334 56 Y C 0.104 176.121 175.900 0.195 0.000 1.199 56 Y CA 0.176 58.375 58.100 0.165 0.000 1.425 56 Y CB 0.780 39.304 38.460 0.106 0.000 1.291 56 Y HN 0.454 nan 8.280 nan 0.000 0.562 57 D N 4.833 125.079 120.400 -0.256 0.000 2.347 57 D HA 0.070 4.701 4.640 -0.015 0.000 0.235 57 D C 0.199 176.559 176.300 0.100 0.000 1.149 57 D CA -0.072 53.866 54.000 -0.105 0.000 0.850 57 D CB 1.137 41.752 40.800 -0.310 0.000 1.061 57 D HN 0.655 nan 8.370 nan 0.000 0.487 58 Q N 1.764 121.715 119.800 0.252 0.000 2.378 58 Q HA -0.009 4.322 4.340 -0.015 0.000 0.205 58 Q C 1.270 177.398 176.000 0.213 0.000 0.954 58 Q CA 0.455 56.437 55.803 0.299 0.000 0.901 58 Q CB 0.222 29.112 28.738 0.253 0.000 0.981 58 Q HN 0.364 nan 8.270 nan 0.000 0.483 59 S N 0.449 116.252 115.700 0.172 0.000 2.607 59 S HA -0.008 4.453 4.470 -0.015 0.000 0.224 59 S C 0.869 175.534 174.600 0.108 0.000 0.969 59 S CA 0.221 58.510 58.200 0.149 0.000 0.927 59 S CB 0.138 63.479 63.200 0.236 0.000 0.772 59 S HN 0.250 nan 8.310 nan 0.000 0.533 60 T N 0.827 115.451 114.554 0.116 0.000 2.823 60 T HA 0.534 4.875 4.350 -0.015 0.000 0.279 60 T C 0.668 175.474 174.700 0.177 0.000 0.998 60 T CA -0.628 61.539 62.100 0.111 0.000 0.994 60 T CB 0.697 69.608 68.868 0.073 0.000 0.960 60 T HN 0.071 nan 8.240 nan 0.000 0.448 61 L N 3.286 124.586 121.223 0.130 0.000 2.529 61 L HA 0.217 4.548 4.340 -0.015 0.000 0.223 61 L C 1.650 178.636 176.870 0.193 0.000 1.113 61 L CA -0.158 54.760 54.840 0.131 0.000 0.861 61 L CB -0.069 42.014 42.059 0.040 0.000 1.012 61 L HN 0.694 nan 8.230 nan 0.000 0.461 62 S N 1.028 116.866 115.700 0.229 0.000 2.584 62 S HA 0.017 4.478 4.470 -0.015 0.000 0.270 62 S C 0.485 175.378 174.600 0.488 0.000 1.346 62 S CA -0.427 57.979 58.200 0.342 0.000 1.018 62 S CB 0.552 63.963 63.200 0.351 0.000 0.899 62 S HN 0.437 nan 8.310 nan 0.000 0.542 63 N N 0.752 119.769 118.700 0.527 0.000 3.025 63 N HA 0.124 4.855 4.740 -0.015 0.000 0.315 63 N C 0.282 175.968 175.510 0.295 0.000 1.511 63 N CA -0.740 52.543 53.050 0.389 0.000 1.097 63 N CB -0.821 37.823 38.487 0.262 0.000 1.395 63 N HN 0.834 nan 8.380 nan 0.000 0.511 64 Y N -0.907 119.500 120.300 0.177 0.000 2.465 64 Y HA 0.051 4.592 4.550 -0.015 0.000 0.289 64 Y C 1.362 177.183 175.900 -0.131 0.000 1.150 64 Y CA 0.541 58.543 58.100 -0.164 0.000 1.293 64 Y CB -0.050 38.309 38.460 -0.169 0.000 0.977 64 Y HN -0.043 nan 8.280 nan 0.000 0.556 65 K N 0.572 120.612 120.400 -0.601 0.000 2.365 65 K HA -0.074 4.237 4.320 -0.015 0.000 0.199 65 K C 0.581 177.035 176.600 -0.245 0.000 1.045 65 K CA 0.955 56.975 56.287 -0.446 0.000 0.962 65 K CB -0.114 32.164 32.500 -0.370 0.000 0.759 65 K HN 0.512 nan 8.250 nan 0.000 0.469 66 D N -0.947 119.328 120.400 -0.207 0.000 2.346 66 D HA 0.076 4.707 4.640 -0.015 0.000 0.206 66 D C -0.002 175.954 176.300 -0.574 0.000 1.001 66 D CA 0.376 54.161 54.000 -0.357 0.000 0.871 66 D CB 0.246 40.818 40.800 -0.380 0.000 0.943 66 D HN -0.008 nan 8.370 nan 0.000 0.518 67 F N 0.189 120.008 119.950 -0.218 0.000 2.579 67 F HA 0.645 5.163 4.527 -0.015 0.000 0.324 67 F C 0.095 175.724 175.800 -0.285 0.000 1.058 67 F CA -1.439 56.424 58.000 -0.228 0.000 0.944 67 F CB 1.587 40.455 39.000 -0.220 0.000 1.245 67 F HN -0.333 nan 8.300 nan 0.000 0.477 68 A N 1.403 124.216 122.820 -0.011 0.000 2.318 68 A HA 0.720 5.031 4.320 -0.015 0.000 0.324 68 A C -1.282 176.272 177.584 -0.050 0.000 1.170 68 A CA -0.657 51.345 52.037 -0.059 0.000 0.810 68 A CB 0.881 19.857 19.000 -0.041 0.000 1.198 68 A HN 0.523 nan 8.150 nan 0.000 0.484 69 V N 4.831 124.707 119.914 -0.064 0.000 2.348 69 V HA 0.144 4.255 4.120 -0.015 0.000 0.270 69 V C 0.932 177.044 176.094 0.030 0.000 1.037 69 V CA 0.067 62.372 62.300 0.008 0.000 0.872 69 V CB 0.721 32.586 31.823 0.070 0.000 1.002 69 V HN 0.927 nan 8.190 nan 0.000 0.464 70 L N 3.501 124.747 121.223 0.038 0.000 2.375 70 L HA 0.291 4.622 4.340 -0.015 0.000 0.215 70 L C 0.608 177.546 176.870 0.112 0.000 1.108 70 L CA 0.602 55.470 54.840 0.048 0.000 0.830 70 L CB 0.034 42.109 42.059 0.027 0.000 0.959 70 L HN 0.803 nan 8.230 nan 0.000 0.457 71 H N -1.603 117.447 119.070 -0.033 0.000 3.093 71 H HA 0.251 4.798 4.556 -0.015 0.000 0.312 71 H C -1.387 173.846 175.328 -0.157 0.000 1.213 71 H CA -0.698 55.291 56.048 -0.099 0.000 1.366 71 H CB 1.114 30.827 29.762 -0.082 0.000 1.998 71 H HN -0.210 nan 8.280 nan 0.000 0.522 72 T N 3.689 117.653 114.554 -0.982 0.000 2.887 72 T HA 0.407 4.748 4.350 -0.015 0.000 0.288 72 T C -1.173 172.931 174.700 -0.993 0.000 1.021 72 T CA -0.721 60.800 62.100 -0.964 0.000 1.000 72 T CB 1.545 69.682 68.868 -1.219 0.000 1.034 72 T HN 0.572 nan 8.240 nan 0.000 0.467 73 D N 1.515 121.554 120.400 -0.602 0.000 2.863 73 D HA 0.504 5.135 4.640 -0.015 0.000 0.245 73 D C -1.225 174.919 176.300 -0.259 0.000 1.211 73 D CA -0.496 53.318 54.000 -0.310 0.000 0.888 73 D CB 1.018 41.737 40.800 -0.135 0.000 1.483 73 D HN 0.317 nan 8.370 nan 0.000 0.533 74 L N 3.606 124.730 121.223 -0.164 0.000 2.305 74 L HA 0.485 4.816 4.340 -0.015 0.000 0.284 74 L C -0.371 176.433 176.870 -0.111 0.000 1.013 74 L CA -0.818 53.934 54.840 -0.146 0.000 0.819 74 L CB 1.443 43.410 42.059 -0.153 0.000 1.227 74 L HN 0.359 nan 8.230 nan 0.000 0.417 75 N N 4.379 123.018 118.700 -0.102 0.000 2.707 75 N HA 0.549 5.280 4.740 -0.015 0.000 0.235 75 N C -1.358 174.085 175.510 -0.112 0.000 1.028 75 N CA -0.219 52.771 53.050 -0.100 0.000 0.906 75 N CB 0.551 38.976 38.487 -0.103 0.000 1.131 75 N HN 0.422 nan 8.380 nan 0.000 0.509 76 L N 0.509 121.690 121.223 -0.069 0.000 2.333 76 L HA 0.641 4.972 4.340 -0.015 0.000 0.269 76 L C 0.031 176.885 176.870 -0.026 0.000 1.010 76 L CA -0.954 53.856 54.840 -0.050 0.000 0.818 76 L CB 2.012 44.082 42.059 0.018 0.000 1.306 76 L HN 0.263 nan 8.230 nan 0.000 0.430 77 S N 0.826 116.509 115.700 -0.028 0.000 2.647 77 S HA 0.537 4.998 4.470 -0.015 0.000 0.300 77 S C -0.798 173.803 174.600 0.001 0.000 1.129 77 S CA -0.490 57.706 58.200 -0.008 0.000 1.029 77 S CB 1.390 64.575 63.200 -0.025 0.000 1.007 77 S HN 0.277 nan 8.310 nan 0.000 0.484 78 V N 4.620 124.528 119.914 -0.009 0.000 2.408 78 V HA 0.400 4.511 4.120 -0.015 0.000 0.267 78 V C 0.470 176.505 176.094 -0.100 0.000 1.047 78 V CA -0.245 62.008 62.300 -0.079 0.000 0.937 78 V CB 1.167 32.852 31.823 -0.231 0.000 0.999 78 V HN 0.818 nan 8.190 nan 0.000 0.472 79 S N 4.546 120.208 115.700 -0.063 0.000 2.520 79 S HA 0.459 4.920 4.470 -0.015 0.000 0.324 79 S C 0.555 175.080 174.600 -0.125 0.000 1.069 79 S CA -0.554 57.613 58.200 -0.055 0.000 1.121 79 S CB 0.204 63.375 63.200 -0.049 0.000 0.971 79 S HN 0.494 nan 8.310 nan 0.000 0.463 80 F N 2.646 122.667 119.950 0.120 0.000 2.407 80 F HA 0.102 4.620 4.527 -0.015 0.000 0.299 80 F C 2.312 178.063 175.800 -0.081 0.000 1.097 80 F CA 0.870 58.954 58.000 0.140 0.000 1.422 80 F CB 0.076 39.199 39.000 0.205 0.000 1.067 80 F HN 0.676 nan 8.300 nan 0.000 0.539 81 E N 0.642 120.891 120.200 0.082 0.000 2.170 81 E HA -0.118 4.223 4.350 -0.015 0.000 0.191 81 E C 1.592 178.122 176.600 -0.117 0.000 0.981 81 E CA 0.836 57.236 56.400 -0.001 0.000 0.830 81 E CB 0.059 29.778 29.700 0.032 0.000 0.775 81 E HN 0.316 nan 8.360 nan 0.000 0.470 82 K N 0.049 120.341 120.400 -0.180 0.000 2.367 82 K HA 0.151 4.462 4.320 -0.015 0.000 0.194 82 K C 0.161 176.515 176.600 -0.411 0.000 1.027 82 K CA 0.301 56.457 56.287 -0.219 0.000 1.075 82 K CB 0.593 33.007 32.500 -0.143 0.000 0.845 82 K HN -0.099 nan 8.250 nan 0.000 0.529 83 S N 0.571 115.821 115.700 -0.750 0.000 3.628 83 S HA -0.189 4.272 4.470 -0.015 0.000 0.373 83 S C -0.603 173.399 174.600 -0.996 0.000 0.968 83 S CA 0.482 57.722 58.200 -1.600 0.000 1.215 83 S CB -0.992 61.466 63.200 -1.236 0.000 0.912 83 S HN 0.570 nan 8.310 nan 0.000 0.495 84 A N 0.712 123.240 122.820 -0.487 0.000 2.572 84 A HA 0.824 5.135 4.320 -0.015 0.000 0.295 84 A C -0.642 177.045 177.584 0.171 0.000 1.072 84 A CA -0.662 51.374 52.037 -0.002 0.000 0.691 84 A CB 1.328 20.303 19.000 -0.041 0.000 1.291 84 A HN 0.396 nan 8.150 nan 0.000 0.404 85 I N 2.178 122.890 120.570 0.237 0.000 2.378 85 I HA 0.496 4.657 4.170 -0.015 0.000 0.291 85 I C 0.286 176.485 176.117 0.137 0.000 0.992 85 I CA -0.286 61.123 61.300 0.182 0.000 1.154 85 I CB 1.999 40.129 38.000 0.216 0.000 1.315 85 I HN 0.773 nan 8.210 nan 0.000 0.448 86 S N 4.153 119.859 115.700 0.009 0.000 2.548 86 S HA 1.000 5.461 4.470 -0.015 0.000 0.286 86 S C -0.403 174.023 174.600 -0.289 0.000 1.098 86 S CA -0.315 57.808 58.200 -0.128 0.000 0.930 86 S CB 2.728 65.879 63.200 -0.081 0.000 1.070 86 S HN 1.036 nan 8.310 nan 0.000 0.480 87 G N 0.941 109.385 108.800 -0.593 0.000 2.455 87 G HA2 0.491 4.442 3.960 -0.015 0.000 0.223 87 G HA3 0.491 4.442 3.960 -0.015 0.000 0.223 87 G C -0.961 173.468 174.900 -0.785 0.000 1.226 87 G CA -0.067 44.707 45.100 -0.543 0.000 0.948 87 G HN 1.971 nan 8.290 nan 0.000 0.478 88 S N -1.683 113.719 115.700 -0.496 0.000 2.549 88 S HA 0.776 5.237 4.470 -0.015 0.000 0.280 88 S C -1.265 173.327 174.600 -0.013 0.000 1.109 88 S CA -0.236 57.818 58.200 -0.244 0.000 0.905 88 S CB 1.896 65.016 63.200 -0.132 0.000 1.081 88 S HN 1.973 nan 8.310 nan 0.000 0.477 89 V N 1.858 121.878 119.914 0.176 0.000 2.555 89 V HA 0.774 4.885 4.120 -0.015 0.000 0.302 89 V C -0.932 175.043 176.094 -0.198 0.000 1.038 89 V CA -0.024 62.247 62.300 -0.048 0.000 0.887 89 V CB 1.935 33.728 31.823 -0.050 0.000 0.991 89 V HN 1.118 nan 8.190 nan 0.000 0.434 90 T N 7.875 122.226 114.554 -0.338 0.000 2.833 90 T HA 0.571 4.912 4.350 -0.015 0.000 0.297 90 T C -0.847 173.655 174.700 -0.330 0.000 1.015 90 T CA 0.074 62.044 62.100 -0.216 0.000 0.963 90 T CB 0.435 69.246 68.868 -0.095 0.000 0.955 90 T HN 0.426 nan 8.240 nan 0.000 0.449 91 F N 2.060 121.990 119.950 -0.033 0.000 2.397 91 F HA 0.445 4.962 4.527 -0.015 0.000 0.331 91 F C 0.848 176.596 175.800 -0.087 0.000 1.090 91 F CA -1.042 56.915 58.000 -0.072 0.000 1.065 91 F CB 1.194 40.163 39.000 -0.052 0.000 1.184 91 F HN 0.200 nan 8.300 nan 0.000 0.499 92 Q N 4.372 124.238 119.800 0.111 0.000 2.431 92 Q HA 0.443 4.774 4.340 -0.015 0.000 0.249 92 Q C -0.856 175.100 176.000 -0.072 0.000 1.025 92 Q CA -0.168 55.638 55.803 0.005 0.000 0.835 92 Q CB 1.643 30.408 28.738 0.045 0.000 1.207 92 Q HN 0.601 nan 8.270 nan 0.000 0.490 93 L N 1.389 122.423 121.223 -0.314 0.000 2.334 93 L HA 0.584 4.915 4.340 -0.015 0.000 0.272 93 L C 0.101 176.817 176.870 -0.257 0.000 1.020 93 L CA -0.833 53.791 54.840 -0.361 0.000 0.812 93 L CB 1.604 43.235 42.059 -0.714 0.000 1.264 93 L HN 0.308 nan 8.230 nan 0.000 0.439 94 K N 2.157 122.543 120.400 -0.023 0.000 2.426 94 K HA 0.354 4.665 4.320 -0.015 0.000 0.254 94 K C -0.936 175.721 176.600 0.095 0.000 0.936 94 K CA -0.732 55.591 56.287 0.061 0.000 0.801 94 K CB 1.447 33.957 32.500 0.015 0.000 1.139 94 K HN 0.415 nan 8.250 nan 0.000 0.424 95 K N 4.134 124.604 120.400 0.118 0.000 2.416 95 K HA 0.132 4.443 4.320 -0.015 0.000 0.283 95 K C -0.423 175.909 176.600 -0.447 0.000 1.037 95 K CA 0.053 56.209 56.287 -0.218 0.000 0.995 95 K CB 0.435 32.824 32.500 -0.185 0.000 0.938 95 K HN 0.441 nan 8.250 nan 0.000 0.475 96 L N 4.416 125.294 121.223 -0.575 0.000 2.309 96 L HA 0.315 4.646 4.340 -0.015 0.000 0.282 96 L C -0.033 176.479 176.870 -0.597 0.000 1.036 96 L CA -0.767 53.797 54.840 -0.460 0.000 0.806 96 L CB 0.910 42.799 42.059 -0.284 0.000 1.220 96 L HN 0.526 nan 8.230 nan 0.000 0.429 97 H N 2.108 121.114 119.070 -0.106 0.000 2.646 97 H HA 0.684 5.231 4.556 -0.015 0.000 0.328 97 H C -0.224 175.060 175.328 -0.074 0.000 0.998 97 H CA -0.152 55.840 56.048 -0.094 0.000 1.225 97 H CB 1.671 31.390 29.762 -0.072 0.000 1.457 97 H HN 0.787 nan 8.280 nan 0.000 0.505 103 S N 2.443 118.131 115.700 -0.020 0.000 2.552 103 S HA 0.156 4.617 4.470 -0.015 0.000 0.289 103 S C -0.871 173.710 174.600 -0.033 0.000 1.304 103 S CA 0.258 58.450 58.200 -0.014 0.000 1.063 103 S CB 0.119 63.319 63.200 -0.001 0.000 0.848 103 S HN 0.199 nan 8.310 nan 0.000 0.499 104 D N 1.620 122.002 120.400 -0.030 0.000 2.757 104 D HA 0.600 5.231 4.640 -0.015 0.000 0.249 104 D C -0.155 176.119 176.300 -0.044 0.000 1.168 104 D CA -0.359 53.607 54.000 -0.057 0.000 0.870 104 D CB 1.779 42.556 40.800 -0.039 0.000 1.411 104 D HN 0.639 nan 8.370 nan 0.000 0.525 105 E N 0.712 120.864 120.200 -0.080 0.000 2.439 105 E HA 0.420 4.761 4.350 -0.015 0.000 0.279 105 E C -1.775 174.856 176.600 0.051 0.000 1.077 105 E CA -0.764 55.599 56.400 -0.061 0.000 0.849 105 E CB 1.729 31.353 29.700 -0.126 0.000 1.408 105 E HN 0.137 nan 8.360 nan 0.000 0.457 106 L N 2.676 123.962 121.223 0.105 0.000 2.283 106 L HA 0.425 4.756 4.340 -0.015 0.000 0.281 106 L C -1.580 175.383 176.870 0.155 0.000 1.033 106 L CA -0.013 54.907 54.840 0.134 0.000 0.848 106 L CB 0.175 42.250 42.059 0.026 0.000 1.226 106 L HN 0.510 nan 8.230 nan 0.000 0.429 107 H N 5.694 124.853 119.070 0.147 0.000 2.511 107 H HA 0.557 5.104 4.556 -0.015 0.000 0.328 107 H C -0.774 174.534 175.328 -0.033 0.000 1.044 107 H CA -0.918 55.177 56.048 0.078 0.000 1.212 107 H CB 1.578 31.427 29.762 0.145 0.000 1.428 107 H HN 0.465 nan 8.280 nan 0.000 0.483 108 L N 2.403 123.602 121.223 -0.039 0.000 2.319 108 L HA 0.321 4.652 4.340 -0.015 0.000 0.267 108 L C -0.151 176.628 176.870 -0.152 0.000 1.011 108 L CA -1.058 53.623 54.840 -0.266 0.000 0.818 108 L CB 1.933 43.753 42.059 -0.399 0.000 1.316 108 L HN 0.611 nan 8.230 nan 0.000 0.432 109 D N 1.116 121.406 120.400 -0.183 0.000 2.256 109 D HA 0.395 5.026 4.640 -0.015 0.000 0.250 109 D C -0.124 176.071 176.300 -0.175 0.000 1.093 109 D CA 0.221 54.140 54.000 -0.136 0.000 0.882 109 D CB 2.026 42.756 40.800 -0.117 0.000 1.185 109 D HN 0.586 nan 8.370 nan 0.000 0.437 110 T N -1.734 112.733 114.554 -0.145 0.000 2.864 110 T HA 0.583 4.924 4.350 -0.015 0.000 0.299 110 T C -0.922 173.696 174.700 -0.136 0.000 1.166 110 T CA -0.816 61.194 62.100 -0.150 0.000 1.007 110 T CB 1.971 70.762 68.868 -0.129 0.000 1.219 110 T HN 0.119 nan 8.240 nan 0.000 0.506 111 S N 0.855 116.486 115.700 -0.115 0.000 2.677 111 S HA 0.491 4.952 4.470 -0.015 0.000 0.283 111 S C -1.387 173.204 174.600 -0.015 0.000 1.159 111 S CA -0.648 57.465 58.200 -0.144 0.000 1.001 111 S CB 0.035 63.190 63.200 -0.076 0.000 1.032 111 S HN 0.839 nan 8.310 nan 0.000 0.487 112 Y N 1.887 122.187 120.300 -0.001 0.000 2.976 112 Y HA -0.170 4.371 4.550 -0.015 0.000 0.209 112 Y C -0.432 175.479 175.900 0.019 0.000 1.200 112 Y CA 0.393 58.502 58.100 0.014 0.000 0.840 112 Y CB -1.247 37.225 38.460 0.019 0.000 1.185 112 Y HN 0.542 nan 8.280 nan 0.000 0.445 113 L N 1.311 122.599 121.223 0.109 0.000 2.386 113 L HA 0.561 4.892 4.340 -0.015 0.000 0.271 113 L C -0.586 176.345 176.870 0.103 0.000 0.993 113 L CA -0.954 53.939 54.840 0.089 0.000 0.819 113 L CB 1.726 43.781 42.059 -0.008 0.000 1.294 113 L HN 0.117 nan 8.230 nan 0.000 0.414 114 D N 3.494 123.982 120.400 0.147 0.000 2.453 114 D HA 0.210 4.841 4.640 -0.015 0.000 0.223 114 D C -0.725 175.677 176.300 0.170 0.000 1.183 114 D CA -0.028 54.061 54.000 0.148 0.000 0.933 114 D CB 0.419 41.302 40.800 0.138 0.000 1.038 114 D HN 0.277 nan 8.370 nan 0.000 0.513 115 V N 4.890 124.871 119.914 0.113 0.000 2.415 115 V HA 0.027 4.138 4.120 -0.015 0.000 0.267 115 V C 1.366 177.531 176.094 0.119 0.000 1.042 115 V CA 0.199 62.518 62.300 0.032 0.000 1.000 115 V CB 1.010 32.682 31.823 -0.252 0.000 1.015 115 V HN 0.510 nan 8.190 nan 0.000 0.478 116 Q N 3.034 122.921 119.800 0.144 0.000 2.226 116 Q HA 0.207 4.538 4.340 -0.015 0.000 0.199 116 Q C 0.134 176.318 176.000 0.305 0.000 0.945 116 Q CA 0.791 56.719 55.803 0.209 0.000 0.861 116 Q CB 0.588 29.404 28.738 0.130 0.000 0.953 116 Q HN 0.816 nan 8.270 nan 0.000 0.490 117 E N -0.573 119.770 120.200 0.238 0.000 2.392 117 E HA 0.450 4.791 4.350 -0.015 0.000 0.279 117 E C -1.711 175.032 176.600 0.238 0.000 0.964 117 E CA -0.497 56.111 56.400 0.345 0.000 0.777 117 E CB 2.906 32.797 29.700 0.317 0.000 1.249 117 E HN -0.167 nan 8.360 nan 0.000 0.449 118 V N 1.520 121.617 119.914 0.305 0.000 2.864 118 V HA 0.487 4.598 4.120 -0.015 0.000 0.314 118 V C -0.733 175.494 176.094 0.221 0.000 1.073 118 V CA -0.733 61.701 62.300 0.223 0.000 0.956 118 V CB 2.022 33.935 31.823 0.150 0.000 1.023 118 V HN 0.653 nan 8.190 nan 0.000 0.435 119 H N 3.346 122.495 119.070 0.132 0.000 3.181 119 H HA 0.461 5.008 4.556 -0.015 0.000 0.331 119 H C -1.252 174.157 175.328 0.136 0.000 0.988 119 H CA -0.361 55.758 56.048 0.119 0.000 1.449 119 H CB 1.986 31.804 29.762 0.094 0.000 1.749 119 H HN 0.461 nan 8.280 nan 0.000 0.501 120 I N 3.851 124.533 120.570 0.187 0.000 2.315 120 I HA -0.001 4.160 4.170 -0.015 0.000 0.291 120 I C 0.080 176.311 176.117 0.189 0.000 1.006 120 I CA -0.198 61.227 61.300 0.208 0.000 1.265 120 I CB 0.780 38.863 38.000 0.139 0.000 1.387 120 I HN 0.658 nan 8.210 nan 0.000 0.475 121 D N 5.756 126.282 120.400 0.211 0.000 2.708 121 D HA -0.203 4.428 4.640 -0.015 0.000 0.236 121 D C 1.143 177.532 176.300 0.147 0.000 1.146 121 D CA 1.335 55.434 54.000 0.164 0.000 0.662 121 D CB -0.849 40.040 40.800 0.148 0.000 1.059 121 D HN 1.153 nan 8.370 nan 0.000 0.428 122 G N -1.173 107.736 108.800 0.182 0.000 2.184 122 G HA2 -0.326 3.625 3.960 -0.015 0.000 0.264 122 G HA3 -0.326 3.625 3.960 -0.015 0.000 0.264 122 G C 0.346 175.425 174.900 0.299 0.000 0.975 122 G CA 0.597 45.819 45.100 0.202 0.000 0.642 122 G HN 0.555 nan 8.290 nan 0.000 0.536 123 S N 0.339 116.165 115.700 0.210 0.000 2.451 123 S HA 0.534 4.995 4.470 -0.015 0.000 0.301 123 S C 0.270 174.812 174.600 -0.097 0.000 1.116 123 S CA -0.643 57.614 58.200 0.096 0.000 1.093 123 S CB 1.890 65.123 63.200 0.055 0.000 1.017 123 S HN 0.528 nan 8.310 nan 0.000 0.482 124 K N 1.855 122.058 120.400 -0.329 0.000 2.569 124 K HA 0.175 4.486 4.320 -0.015 0.000 0.280 124 K C -0.228 176.259 176.600 -0.190 0.000 0.984 124 K CA 0.216 56.197 56.287 -0.511 0.000 1.064 124 K CB 0.157 32.481 32.500 -0.294 0.000 0.866 124 K HN 0.707 nan 8.250 nan 0.000 0.492 125 A N 4.018 126.772 122.820 -0.110 0.000 2.435 125 A HA 0.323 4.634 4.320 -0.015 0.000 0.304 125 A C -1.457 176.170 177.584 0.071 0.000 1.064 125 A CA -0.993 51.049 52.037 0.009 0.000 0.727 125 A CB 0.998 20.032 19.000 0.057 0.000 1.284 125 A HN 0.754 nan 8.150 nan 0.000 0.415 126 D N 2.052 122.481 120.400 0.049 0.000 2.295 126 D HA 0.504 5.135 4.640 -0.015 0.000 0.248 126 D C -0.687 175.676 176.300 0.104 0.000 1.154 126 D CA 0.588 54.597 54.000 0.016 0.000 0.857 126 D CB 0.868 41.658 40.800 -0.017 0.000 1.117 126 D HN 0.419 nan 8.370 nan 0.000 0.468 127 F N -0.295 119.666 119.950 0.017 0.000 2.603 127 F HA 0.533 5.051 4.527 -0.015 0.000 0.317 127 F C -1.106 174.709 175.800 0.025 0.000 1.066 127 F CA -1.109 56.908 58.000 0.028 0.000 0.941 127 F CB 1.570 40.593 39.000 0.038 0.000 1.291 127 F HN 0.229 nan 8.300 nan 0.000 0.472 128 Q N 2.954 122.928 119.800 0.291 0.000 2.379 128 Q HA 0.625 4.956 4.340 -0.015 0.000 0.278 128 Q C -1.906 174.240 176.000 0.244 0.000 1.068 128 Q CA -1.102 54.804 55.803 0.171 0.000 0.816 128 Q CB 3.003 31.768 28.738 0.045 0.000 1.387 128 Q HN 0.720 nan 8.270 nan 0.000 0.413 129 I N 1.640 122.324 120.570 0.191 0.000 2.339 129 I HA 0.310 4.471 4.170 -0.015 0.000 0.290 129 I C 0.354 176.502 176.117 0.051 0.000 0.994 129 I CA -0.536 60.836 61.300 0.120 0.000 1.191 129 I CB 1.279 39.355 38.000 0.127 0.000 1.343 129 I HN 0.787 nan 8.210 nan 0.000 0.458 130 E N 3.717 123.925 120.200 0.013 0.000 2.416 130 E HA 0.043 4.384 4.350 -0.015 0.000 0.254 130 E C 0.015 176.606 176.600 -0.015 0.000 1.241 130 E CA -0.262 56.132 56.400 -0.009 0.000 0.969 130 E CB 0.699 30.378 29.700 -0.036 0.000 0.999 130 E HN 0.471 nan 8.360 nan 0.000 0.481 131 Q N 1.183 120.973 119.800 -0.017 0.000 2.352 131 Q HA 0.036 4.367 4.340 -0.015 0.000 0.260 131 Q C -0.335 175.640 176.000 -0.041 0.000 0.976 131 Q CA -0.181 55.610 55.803 -0.020 0.000 0.881 131 Q CB 0.778 29.510 28.738 -0.010 0.000 1.235 131 Q HN 0.296 nan 8.270 nan 0.000 0.419 132 R N 2.918 123.383 120.500 -0.060 0.000 2.570 132 R HA 0.036 4.367 4.340 -0.015 0.000 0.277 132 R C -0.905 175.352 176.300 -0.072 0.000 1.039 132 R CA 0.522 56.560 56.100 -0.103 0.000 1.065 132 R CB 0.470 30.668 30.300 -0.170 0.000 0.964 132 R HN 0.456 nan 8.270 nan 0.000 0.428 133 K N 3.839 124.194 120.400 -0.075 0.000 2.450 133 K HA 0.168 4.479 4.320 -0.015 0.000 0.257 133 K C -0.911 175.661 176.600 -0.047 0.000 0.953 133 K CA -0.854 55.406 56.287 -0.044 0.000 0.844 133 K CB 1.783 34.267 32.500 -0.027 0.000 1.103 133 K HN 0.550 nan 8.250 nan 0.000 0.429 134 E N 3.546 123.728 120.200 -0.029 0.000 2.360 134 E HA 0.052 4.393 4.350 -0.015 0.000 0.269 134 E C -1.712 174.883 176.600 -0.009 0.000 1.022 134 E CA -1.524 54.865 56.400 -0.020 0.000 0.887 134 E CB 0.640 30.341 29.700 0.002 0.000 0.990 134 E HN 0.394 nan 8.360 nan 0.000 0.426 135 P HA 0.234 nan 4.420 nan 0.000 0.280 135 P C 0.665 177.930 177.300 -0.060 0.000 1.431 135 P CA 0.047 63.126 63.100 -0.035 0.000 1.058 135 P CB 0.426 32.100 31.700 -0.042 0.000 1.521 136 L N -1.241 119.953 121.223 -0.048 0.000 2.509 136 L HA 0.293 4.624 4.340 -0.015 0.000 0.222 136 L C 1.282 178.104 176.870 -0.080 0.000 1.123 136 L CA 0.711 55.521 54.840 -0.050 0.000 0.856 136 L CB -0.624 41.431 42.059 -0.008 0.000 0.985 136 L HN 0.175 nan 8.230 nan 0.000 0.456 137 G N -0.246 108.489 108.800 -0.109 0.000 2.587 137 G HA2 -0.220 3.731 3.960 -0.015 0.000 0.212 137 G HA3 -0.220 3.731 3.960 -0.015 0.000 0.212 137 G C -0.439 174.378 174.900 -0.137 0.000 1.327 137 G CA -0.533 44.468 45.100 -0.165 0.000 0.898 137 G HN 0.067 nan 8.290 nan 0.000 0.551 138 S N 0.099 115.708 115.700 -0.153 0.000 2.513 138 S HA 0.527 4.988 4.470 -0.015 0.000 0.276 138 S C 0.664 175.213 174.600 -0.085 0.000 1.254 138 S CA -0.399 57.737 58.200 -0.107 0.000 1.053 138 S CB 1.318 64.458 63.200 -0.100 0.000 0.958 138 S HN 0.727 nan 8.310 nan 0.000 0.491 139 R N 2.774 123.232 120.500 -0.071 0.000 2.234 139 R HA 0.283 4.614 4.340 -0.015 0.000 0.324 139 R C -0.825 175.442 176.300 -0.055 0.000 1.054 139 R CA -0.650 55.407 56.100 -0.073 0.000 0.912 139 R CB 0.209 30.445 30.300 -0.107 0.000 1.030 139 R HN 0.467 nan 8.270 nan 0.000 0.455 140 L N 6.532 127.724 121.223 -0.051 0.000 2.268 140 L HA 0.252 4.583 4.340 -0.015 0.000 0.289 140 L C -1.221 175.666 176.870 0.030 0.000 1.064 140 L CA -0.153 54.673 54.840 -0.024 0.000 0.824 140 L CB 1.245 43.249 42.059 -0.092 0.000 1.202 140 L HN 0.352 nan 8.230 nan 0.000 0.433 141 V N 7.014 126.982 119.914 0.090 0.000 2.383 141 V HA 0.431 4.542 4.120 -0.015 0.000 0.275 141 V C 0.339 176.553 176.094 0.199 0.000 1.036 141 V CA -0.326 62.074 62.300 0.168 0.000 0.889 141 V CB 1.063 32.965 31.823 0.131 0.000 0.985 141 V HN 0.591 nan 8.190 nan 0.000 0.459 142 I N 3.707 124.386 120.570 0.183 0.000 2.436 142 I HA 0.352 4.513 4.170 -0.015 0.000 0.289 142 I C -0.104 176.087 176.117 0.124 0.000 1.010 142 I CA -0.703 60.695 61.300 0.163 0.000 1.098 142 I CB 1.920 39.981 38.000 0.102 0.000 1.266 142 I HN 0.538 nan 8.210 nan 0.000 0.434 143 N N 4.968 123.733 118.700 0.108 0.000 2.406 143 N HA 0.007 4.738 4.740 -0.015 0.000 0.265 143 N C 0.435 175.953 175.510 0.013 0.000 1.203 143 N CA 0.429 53.515 53.050 0.060 0.000 0.945 143 N CB 0.332 38.846 38.487 0.045 0.000 1.165 143 N HN 0.639 nan 8.380 nan 0.000 0.485 144 N N 2.833 121.525 118.700 -0.015 0.000 2.220 144 N HA 0.030 4.761 4.740 -0.015 0.000 0.195 144 N C 1.201 176.642 175.510 -0.115 0.000 1.123 144 N CA 0.129 53.106 53.050 -0.121 0.000 0.874 144 N CB 0.198 38.631 38.487 -0.090 0.000 0.995 144 N HN 0.554 nan 8.380 nan 0.000 0.498 145 A N 0.967 123.760 122.820 -0.044 0.000 1.958 145 A HA -0.229 4.082 4.320 -0.015 0.000 0.221 145 A C 2.268 179.828 177.584 -0.040 0.000 1.178 145 A CA 2.313 54.332 52.037 -0.030 0.000 0.642 145 A CB -0.823 18.172 19.000 -0.009 0.000 0.816 145 A HN 0.549 nan 8.150 nan 0.000 0.453 146 S N -0.719 114.954 115.700 -0.044 0.000 2.402 146 S HA -0.093 4.368 4.470 -0.015 0.000 0.229 146 S C 1.263 175.846 174.600 -0.028 0.000 1.021 146 S CA 0.599 58.782 58.200 -0.028 0.000 0.974 146 S CB -1.800 61.389 63.200 -0.018 0.000 0.800 146 S HN 1.017 nan 8.310 nan 0.000 0.484 147 C N 2.545 121.805 119.300 -0.068 0.000 2.411 147 C HA 0.716 5.167 4.460 -0.015 0.000 0.358 147 C C 0.809 175.798 174.990 -0.001 0.000 1.349 147 C CA -1.077 57.919 59.018 -0.037 0.000 2.326 147 C CB -0.281 27.402 27.740 -0.095 0.000 2.166 147 C HN 0.698 nan 8.230 nan 0.000 0.609 148 N N 0.077 118.818 118.700 0.068 0.000 2.443 148 N HA 0.228 4.959 4.740 -0.015 0.000 0.294 148 N C 0.407 176.020 175.510 0.172 0.000 1.289 148 N CA -0.034 53.077 53.050 0.102 0.000 0.966 148 N CB 0.188 38.737 38.487 0.103 0.000 1.122 148 N HN 0.655 nan 8.380 nan 0.000 0.569 149 D N -1.026 119.483 120.400 0.182 0.000 2.084 149 D HA -0.097 4.534 4.640 -0.015 0.000 0.194 149 D C -0.220 176.274 176.300 0.323 0.000 0.990 149 D CA 1.261 55.396 54.000 0.225 0.000 0.826 149 D CB -0.486 40.417 40.800 0.171 0.000 0.971 149 D HN 0.489 nan 8.370 nan 0.000 0.453 150 N N 0.382 119.235 118.700 0.254 0.000 2.422 150 N HA 0.301 5.032 4.740 -0.015 0.000 0.266 150 N C -0.684 175.008 175.510 0.303 0.000 1.007 150 N CA -0.227 52.953 53.050 0.217 0.000 0.941 150 N CB 1.204 39.753 38.487 0.104 0.000 1.115 150 N HN 0.074 nan 8.380 nan 0.000 0.492 151 F N -1.332 118.689 119.950 0.118 0.000 2.620 151 F HA 0.550 5.069 4.527 -0.015 0.000 0.320 151 F C -0.256 175.616 175.800 0.121 0.000 1.069 151 F CA -1.055 57.014 58.000 0.115 0.000 0.953 151 F CB 1.134 40.209 39.000 0.125 0.000 1.322 151 F HN -0.043 nan 8.300 nan 0.000 0.479 152 T N 3.454 118.137 114.554 0.216 0.000 2.753 152 T HA 0.458 4.799 4.350 -0.015 0.000 0.297 152 T C -1.007 173.831 174.700 0.230 0.000 0.981 152 T CA -0.269 61.911 62.100 0.133 0.000 0.956 152 T CB 0.844 69.782 68.868 0.117 0.000 0.936 152 T HN 0.594 nan 8.240 nan 0.000 0.463 153 L N 4.782 126.127 121.223 0.204 0.000 2.272 153 L HA 0.517 4.848 4.340 -0.015 0.000 0.289 153 L C -0.167 176.843 176.870 0.234 0.000 1.032 153 L CA -0.236 54.779 54.840 0.292 0.000 0.810 153 L CB 0.801 43.060 42.059 0.334 0.000 1.205 153 L HN 0.490 nan 8.230 nan 0.000 0.422 154 N N 6.642 125.469 118.700 0.212 0.000 2.483 154 N HA 0.385 5.116 4.740 -0.015 0.000 0.267 154 N C -1.372 174.242 175.510 0.172 0.000 0.998 154 N CA -0.377 52.763 53.050 0.151 0.000 0.918 154 N CB 1.131 39.677 38.487 0.100 0.000 1.215 154 N HN 0.602 nan 8.380 nan 0.000 0.500 155 I N 1.999 122.669 120.570 0.168 0.000 2.460 155 I HA 0.297 4.458 4.170 -0.015 0.000 0.298 155 I C -0.010 176.222 176.117 0.191 0.000 0.989 155 I CA -0.724 60.677 61.300 0.169 0.000 1.173 155 I CB 1.894 40.000 38.000 0.177 0.000 1.338 155 I HN 0.286 nan 8.210 nan 0.000 0.456 156 Q N 5.591 125.471 119.800 0.134 0.000 2.342 156 Q HA 0.728 5.059 4.340 -0.015 0.000 0.267 156 Q C -1.256 174.806 176.000 0.102 0.000 1.038 156 Q CA -0.622 55.190 55.803 0.014 0.000 0.832 156 Q CB 2.680 31.401 28.738 -0.029 0.000 1.323 156 Q HN 0.572 nan 8.270 nan 0.000 0.448 157 F N -1.903 118.063 119.950 0.027 0.000 2.711 157 F HA 0.716 5.234 4.527 -0.015 0.000 0.313 157 F C -1.292 174.536 175.800 0.046 0.000 1.141 157 F CA -1.283 56.738 58.000 0.034 0.000 0.941 157 F CB 1.593 40.619 39.000 0.043 0.000 1.349 157 F HN 0.228 nan 8.300 nan 0.000 0.464 158 R N 0.795 121.478 120.500 0.305 0.000 2.686 158 R HA 0.549 4.880 4.340 -0.015 0.000 0.286 158 R C -0.707 175.779 176.300 0.309 0.000 0.969 158 R CA -0.820 55.417 56.100 0.230 0.000 0.898 158 R CB 2.482 32.848 30.300 0.109 0.000 1.183 158 R HN 0.983 nan 8.270 nan 0.000 0.456 159 T N -0.617 114.112 114.554 0.292 0.000 2.748 159 T HA 0.171 4.512 4.350 -0.015 0.000 0.304 159 T C 0.516 175.303 174.700 0.144 0.000 1.041 159 T CA -0.276 61.957 62.100 0.222 0.000 1.033 159 T CB 0.940 69.947 68.868 0.231 0.000 0.995 159 T HN 0.367 nan 8.240 nan 0.000 0.536 160 T N 0.311 114.937 114.554 0.120 0.000 2.938 160 T HA 0.312 4.653 4.350 -0.015 0.000 0.285 160 T C 0.889 175.600 174.700 0.019 0.000 1.028 160 T CA -0.756 61.389 62.100 0.074 0.000 1.005 160 T CB 1.310 70.239 68.868 0.102 0.000 1.157 160 T HN 0.622 nan 8.240 nan 0.000 0.550 161 D N 0.499 120.884 120.400 -0.024 0.000 2.218 161 D HA -0.045 4.586 4.640 -0.015 0.000 0.204 161 D C 1.415 177.656 176.300 -0.097 0.000 0.976 161 D CA 1.166 55.126 54.000 -0.066 0.000 0.853 161 D CB 0.169 40.926 40.800 -0.072 0.000 0.939 161 D HN 0.409 nan 8.370 nan 0.000 0.481 162 K N -0.016 120.294 120.400 -0.150 0.000 2.404 162 K HA 0.060 4.371 4.320 -0.015 0.000 0.194 162 K C 0.583 177.059 176.600 -0.207 0.000 1.023 162 K CA -0.330 55.746 56.287 -0.351 0.000 1.094 162 K CB 0.327 32.294 32.500 -0.888 0.000 0.841 162 K HN 0.043 nan 8.250 nan 0.000 0.523 163 C N 2.782 122.074 119.300 -0.014 0.000 2.378 163 C HA -0.063 4.388 4.460 -0.015 0.000 0.395 163 C C 1.795 176.806 174.990 0.034 0.000 1.476 163 C CA 0.758 59.821 59.018 0.075 0.000 1.541 163 C CB -0.331 27.481 27.740 0.121 0.000 2.524 163 C HN 0.618 nan 8.230 nan 0.000 0.595 164 T N 2.104 116.686 114.554 0.046 0.000 3.174 164 T HA 0.430 4.771 4.350 -0.015 0.000 0.269 164 T C 0.764 175.330 174.700 -0.225 0.000 1.017 164 T CA 0.383 62.434 62.100 -0.081 0.000 0.899 164 T CB 0.273 69.122 68.868 -0.031 0.000 1.077 164 T HN 0.951 nan 8.240 nan 0.000 0.552 165 A N 1.038 123.809 122.820 -0.082 0.000 2.167 165 A HA 0.649 4.960 4.320 -0.015 0.000 0.208 165 A C 0.528 178.037 177.584 -0.126 0.000 1.198 165 A CA -0.028 51.955 52.037 -0.091 0.000 0.863 165 A CB 0.235 19.235 19.000 0.001 0.000 0.904 165 A HN 0.540 nan 8.150 nan 0.000 0.484 166 L N 1.097 122.260 121.223 -0.101 0.000 2.362 166 L HA 0.416 4.747 4.340 -0.015 0.000 0.275 166 L C -1.003 175.689 176.870 -0.297 0.000 0.998 166 L CA -0.828 53.867 54.840 -0.241 0.000 0.820 166 L CB 1.946 43.906 42.059 -0.164 0.000 1.270 166 L HN 0.120 nan 8.230 nan 0.000 0.415 167 Q N 2.393 121.850 119.800 -0.571 0.000 2.314 167 Q HA 0.311 4.642 4.340 -0.015 0.000 0.259 167 Q C -1.447 174.270 176.000 -0.471 0.000 0.951 167 Q CA -0.172 55.377 55.803 -0.424 0.000 0.909 167 Q CB 1.768 30.090 28.738 -0.694 0.000 1.236 167 Q HN 0.401 nan 8.270 nan 0.000 0.444 168 W N 3.379 124.641 121.300 -0.064 0.000 2.520 168 W HA 0.565 5.216 4.660 -0.014 0.000 0.323 168 W C -0.318 176.227 176.519 0.044 0.000 1.062 168 W CA -0.427 56.934 57.345 0.025 0.000 1.215 168 W CB 1.057 30.528 29.460 0.019 0.000 1.340 168 W HN 0.343 nan 8.180 nan 0.000 0.516 169 L N 4.276 125.722 121.223 0.372 0.000 2.362 169 L HA 0.403 4.734 4.340 -0.015 0.000 0.275 169 L C 0.282 177.316 176.870 0.274 0.000 0.998 169 L CA -1.120 53.888 54.840 0.280 0.000 0.820 169 L CB 1.148 43.409 42.059 0.337 0.000 1.270 169 L HN 0.540 nan 8.230 nan 0.000 0.415 170 N N 0.112 118.915 118.700 0.173 0.000 2.381 170 N HA 0.042 4.773 4.740 -0.015 0.000 0.289 170 N C 0.745 176.317 175.510 0.104 0.000 1.288 170 N CA -0.415 52.715 53.050 0.134 0.000 0.960 170 N CB 0.251 38.784 38.487 0.077 0.000 1.116 170 N HN 0.435 nan 8.380 nan 0.000 0.557 171 S N -1.972 113.766 115.700 0.063 0.000 2.496 171 S HA 0.082 4.543 4.470 -0.015 0.000 0.224 171 S C 1.242 175.858 174.600 0.027 0.000 0.996 171 S CA 0.307 58.532 58.200 0.042 0.000 0.927 171 S CB -0.356 62.857 63.200 0.022 0.000 0.774 171 S HN 0.493 nan 8.310 nan 0.000 0.524 172 K N 0.198 120.609 120.400 0.019 0.000 2.366 172 K HA 0.132 4.443 4.320 -0.015 0.000 0.198 172 K C 1.556 178.155 176.600 -0.002 0.000 1.044 172 K CA 0.604 56.889 56.287 -0.002 0.000 0.973 172 K CB 0.081 32.571 32.500 -0.016 0.000 0.767 172 K HN 0.405 nan 8.250 nan 0.000 0.475 173 Q N -0.144 119.673 119.800 0.028 0.000 2.319 173 Q HA 0.006 4.337 4.340 -0.015 0.000 0.202 173 Q C -0.131 175.901 176.000 0.053 0.000 0.896 173 Q CA 0.203 56.030 55.803 0.041 0.000 0.942 173 Q CB 1.285 30.071 28.738 0.080 0.000 1.083 173 Q HN 0.128 nan 8.270 nan 0.000 0.510 174 T N -3.398 111.183 114.554 0.046 0.000 2.876 174 T HA 0.350 4.691 4.350 -0.015 0.000 0.289 174 T C 0.428 175.151 174.700 0.037 0.000 1.014 174 T CA -0.851 61.274 62.100 0.043 0.000 0.986 174 T CB 1.866 70.764 68.868 0.050 0.000 1.021 174 T HN -0.254 nan 8.240 nan 0.000 0.458 175 K N 2.377 122.811 120.400 0.057 0.000 2.283 175 K HA 0.166 4.477 4.320 -0.015 0.000 0.202 175 K C 2.090 178.681 176.600 -0.014 0.000 1.048 175 K CA 1.781 58.041 56.287 -0.044 0.000 0.948 175 K CB -0.962 31.417 32.500 -0.202 0.000 0.742 175 K HN 0.831 nan 8.250 nan 0.000 0.458 176 G N -0.943 107.958 108.800 0.168 0.000 2.403 176 G HA2 0.014 3.965 3.960 -0.015 0.000 0.216 176 G HA3 0.014 3.965 3.960 -0.015 0.000 0.216 176 G C 0.999 175.946 174.900 0.080 0.000 1.154 176 G CA 0.768 45.978 45.100 0.183 0.000 0.784 176 G HN 0.545 nan 8.290 nan 0.000 0.538 177 G N -1.118 107.714 108.800 0.054 0.000 2.163 177 G HA2 -0.184 3.767 3.960 -0.015 0.000 0.213 177 G HA3 -0.184 3.767 3.960 -0.015 0.000 0.213 177 G C 0.297 175.212 174.900 0.024 0.000 0.991 177 G CA 0.294 45.411 45.100 0.028 0.000 0.653 177 G HN 0.542 nan 8.290 nan 0.000 0.518 178 K N 0.362 120.782 120.400 0.032 0.000 2.221 178 K HA 0.568 4.879 4.320 -0.015 0.000 0.243 178 K C -2.696 173.905 176.600 0.002 0.000 0.968 178 K CA -2.017 54.264 56.287 -0.009 0.000 0.846 178 K CB 1.880 34.365 32.500 -0.024 0.000 1.141 178 K HN -0.049 nan 8.250 nan 0.000 0.434 179 P HA 0.034 nan 4.420 nan 0.000 0.269 179 P C -1.199 176.149 177.300 0.080 0.000 1.217 179 P CA 0.215 63.301 63.100 -0.024 0.000 0.783 179 P CB 0.246 31.806 31.700 -0.233 0.000 0.898 180 Y N 0.680 121.085 120.300 0.175 0.000 2.534 180 Y HA 0.609 5.151 4.550 -0.014 0.000 0.345 180 Y C -1.392 174.702 175.900 0.325 0.000 1.031 180 Y CA -0.892 57.355 58.100 0.245 0.000 1.022 180 Y CB 1.844 40.426 38.460 0.204 0.000 1.292 180 Y HN 0.221 nan 8.280 nan 0.000 0.459 181 V N 7.074 126.883 119.914 -0.176 0.000 2.808 181 V HA 0.713 4.824 4.120 -0.015 0.000 0.308 181 V C -1.904 173.944 176.094 -0.410 0.000 1.099 181 V CA -0.662 61.385 62.300 -0.421 0.000 0.920 181 V CB 1.726 32.941 31.823 -1.013 0.000 1.014 181 V HN 0.672 nan 8.190 nan 0.000 0.425 182 F N 3.373 123.155 119.950 -0.279 0.000 2.599 182 F HA 0.899 5.418 4.527 -0.014 0.000 0.311 182 F C -0.252 175.540 175.800 -0.013 0.000 1.076 182 F CA -0.641 57.326 58.000 -0.055 0.000 0.937 182 F CB 1.666 40.816 39.000 0.250 0.000 1.282 182 F HN 0.549 nan 8.300 nan 0.000 0.460 183 S N 1.447 117.224 115.700 0.128 0.000 2.578 183 S HA 0.600 5.061 4.470 -0.015 0.000 0.283 183 S C -0.794 173.820 174.600 0.023 0.000 1.195 183 S CA -0.557 57.617 58.200 -0.042 0.000 1.050 183 S CB 1.708 64.872 63.200 -0.061 0.000 1.012 183 S HN 0.880 nan 8.310 nan 0.000 0.511 184 Q N 2.111 121.844 119.800 -0.111 0.000 2.394 184 Q HA 0.507 4.838 4.340 -0.015 0.000 0.261 184 Q C -0.807 175.103 176.000 -0.150 0.000 1.023 184 Q CA -0.483 55.215 55.803 -0.175 0.000 0.720 184 Q CB 0.960 29.488 28.738 -0.350 0.000 1.241 184 Q HN 0.681 nan 8.270 nan 0.000 0.483 185 L N 1.951 123.120 121.223 -0.090 0.000 2.357 185 L HA 0.324 4.655 4.340 -0.015 0.000 0.211 185 L C 0.537 177.426 176.870 0.031 0.000 1.075 185 L CA 0.648 55.493 54.840 0.007 0.000 0.830 185 L CB -0.156 41.908 42.059 0.009 0.000 0.996 185 L HN 0.698 nan 8.230 nan 0.000 0.467 186 E N -0.524 119.671 120.200 -0.007 0.000 2.415 186 E HA 0.108 4.449 4.350 -0.015 0.000 0.263 186 E C 0.733 177.085 176.600 -0.414 0.000 0.995 186 E CA 0.409 56.693 56.400 -0.193 0.000 0.915 186 E CB 1.124 30.771 29.700 -0.088 0.000 0.951 186 E HN 0.283 nan 8.360 nan 0.000 0.449 187 A N 4.821 127.138 122.820 -0.840 0.000 1.973 187 A HA 0.083 4.394 4.320 -0.015 0.000 0.210 187 A C 1.342 178.551 177.584 -0.625 0.000 1.200 187 A CA 0.431 51.774 52.037 -1.157 0.000 0.707 187 A CB 0.031 17.741 19.000 -2.150 0.000 0.862 187 A HN 0.696 nan 8.150 nan 0.000 0.461 188 I N -4.936 115.272 120.570 -0.603 0.000 3.176 188 I HA 0.446 4.607 4.170 -0.015 0.000 0.339 188 I C 0.277 176.171 176.117 -0.372 0.000 1.505 188 I CA -0.339 60.762 61.300 -0.332 0.000 0.969 188 I CB 0.104 37.944 38.000 -0.267 0.000 1.636 188 I HN 0.043 nan 8.210 nan 0.000 0.523 189 H N 1.375 120.353 119.070 -0.152 0.000 2.575 189 H HA 0.383 4.930 4.556 -0.015 0.000 0.267 189 H C 2.097 177.353 175.328 -0.121 0.000 0.966 189 H CA 0.788 56.759 56.048 -0.128 0.000 1.165 189 H CB 0.850 30.530 29.762 -0.136 0.000 1.433 189 H HN 0.623 nan 8.280 nan 0.000 0.544 190 A N 1.958 124.757 122.820 -0.035 0.000 1.972 190 A HA -0.200 4.111 4.320 -0.015 0.000 0.219 190 A C 2.423 179.798 177.584 -0.349 0.000 1.169 190 A CA 1.378 53.322 52.037 -0.154 0.000 0.635 190 A CB -0.437 18.475 19.000 -0.147 0.000 0.810 190 A HN 0.494 nan 8.150 nan 0.000 0.446 191 R N -0.973 119.368 120.500 -0.265 0.000 2.303 191 R HA -0.008 4.323 4.340 -0.015 0.000 0.225 191 R C 1.679 177.855 176.300 -0.207 0.000 1.114 191 R CA 1.620 57.551 56.100 -0.281 0.000 1.007 191 R CB -0.498 29.690 30.300 -0.188 0.000 0.861 191 R HN 0.314 nan 8.270 nan 0.000 0.471 192 S N -0.100 115.533 115.700 -0.111 0.000 2.503 192 S HA 0.109 4.570 4.470 -0.015 0.000 0.215 192 S C 1.343 175.932 174.600 -0.018 0.000 1.003 192 S CA -0.262 57.928 58.200 -0.017 0.000 0.910 192 S CB 0.094 63.345 63.200 0.085 0.000 0.790 192 S HN 0.346 nan 8.310 nan 0.000 0.514 193 L N 0.892 122.083 121.223 -0.053 0.000 2.221 193 L HA 0.481 4.812 4.340 -0.015 0.000 0.202 193 L C -0.138 176.726 176.870 -0.011 0.000 1.074 193 L CA 1.081 55.965 54.840 0.073 0.000 0.795 193 L CB 0.033 42.215 42.059 0.205 0.000 0.960 193 L HN 0.416 nan 8.230 nan 0.000 0.458 194 F N -3.478 116.249 119.950 -0.372 0.000 2.678 194 F HA 0.702 5.220 4.527 -0.015 0.000 0.308 194 F C -2.959 172.582 175.800 -0.430 0.000 1.118 194 F CA -2.481 55.041 58.000 -0.798 0.000 0.959 194 F CB 0.050 38.740 39.000 -0.517 0.000 1.305 194 F HN -0.336 nan 8.300 nan 0.000 0.443 195 P HA 0.400 nan 4.420 nan 0.000 0.276 195 P C -0.862 176.435 177.300 -0.005 0.000 1.235 195 P CA -0.126 62.855 63.100 -0.199 0.000 0.772 195 P CB 0.842 32.475 31.700 -0.111 0.000 0.871 196 C N 0.804 119.965 119.300 -0.231 0.000 3.249 196 C HA 0.513 4.964 4.460 -0.015 0.000 0.350 196 C C -1.180 173.525 174.990 -0.474 0.000 1.431 196 C CA -1.088 57.784 59.018 -0.244 0.000 1.209 196 C CB 0.120 27.892 27.740 0.053 0.000 1.546 196 C HN 0.292 nan 8.230 nan 0.000 0.450 197 F N 1.573 121.450 119.950 -0.121 0.000 2.509 197 F HA 0.321 4.839 4.527 -0.015 0.000 0.350 197 F C 0.884 176.646 175.800 -0.064 0.000 1.220 197 F CA 0.203 58.158 58.000 -0.076 0.000 1.151 197 F CB -0.071 38.899 39.000 -0.050 0.000 1.379 197 F HN 0.598 nan 8.300 nan 0.000 0.610 198 D N 2.668 123.085 120.400 0.028 0.000 2.619 198 D HA 0.069 4.700 4.640 -0.015 0.000 0.224 198 D C -0.236 176.080 176.300 0.027 0.000 1.133 198 D CA 0.331 54.337 54.000 0.010 0.000 1.017 198 D CB 0.079 40.845 40.800 -0.057 0.000 1.077 198 D HN 0.439 nan 8.370 nan 0.000 0.503 199 T N 0.806 115.349 114.554 -0.019 0.000 2.956 199 T HA 0.392 4.733 4.350 -0.015 0.000 0.312 199 T C -2.377 172.231 174.700 -0.154 0.000 1.151 199 T CA -1.737 60.255 62.100 -0.179 0.000 1.024 199 T CB 1.823 70.363 68.868 -0.547 0.000 1.140 199 T HN -0.172 nan 8.240 nan 0.000 0.473 200 P HA 0.021 nan 4.420 nan 0.000 0.231 200 P C 1.131 178.341 177.300 -0.149 0.000 1.158 200 P CA 0.601 63.628 63.100 -0.121 0.000 0.763 200 P CB 0.030 31.468 31.700 -0.437 0.000 0.805 201 S N -2.390 113.147 115.700 -0.272 0.000 2.528 201 S HA 0.068 4.529 4.470 -0.015 0.000 0.219 201 S C 0.798 175.328 174.600 -0.117 0.000 0.985 201 S CA -0.042 58.038 58.200 -0.199 0.000 0.914 201 S CB -0.542 62.517 63.200 -0.234 0.000 0.776 201 S HN -0.097 nan 8.310 nan 0.000 0.526 202 V N 2.906 122.741 119.914 -0.132 0.000 2.333 202 V HA 0.383 4.494 4.120 -0.015 0.000 0.274 202 V C -0.208 175.921 176.094 0.058 0.000 1.028 202 V CA -0.450 61.835 62.300 -0.025 0.000 0.851 202 V CB 0.938 32.756 31.823 -0.008 0.000 1.000 202 V HN 0.274 nan 8.190 nan 0.000 0.456 203 K N 3.338 123.777 120.400 0.066 0.000 2.270 203 K HA 0.735 5.046 4.320 -0.015 0.000 0.255 203 K C -0.460 176.206 176.600 0.111 0.000 0.936 203 K CA -0.390 55.963 56.287 0.110 0.000 0.809 203 K CB 2.259 34.810 32.500 0.085 0.000 1.131 203 K HN 0.725 nan 8.250 nan 0.000 0.427 204 S N 0.537 116.333 115.700 0.161 0.000 2.540 204 S HA 0.332 4.793 4.470 -0.015 0.000 0.275 204 S C -0.084 174.570 174.600 0.091 0.000 1.123 204 S CA -0.714 57.528 58.200 0.070 0.000 0.907 204 S CB 1.311 64.498 63.200 -0.023 0.000 1.081 204 S HN 0.619 nan 8.310 nan 0.000 0.476 205 T N 0.871 115.466 114.554 0.069 0.000 2.724 205 T HA 0.499 4.840 4.350 -0.015 0.000 0.324 205 T C -0.469 174.197 174.700 -0.057 0.000 1.071 205 T CA 0.125 62.314 62.100 0.148 0.000 1.061 205 T CB -0.321 68.683 68.868 0.227 0.000 0.990 205 T HN 0.545 nan 8.240 nan 0.000 0.543 206 F N -0.867 119.090 119.950 0.012 0.000 2.626 206 F HA 0.627 5.146 4.527 -0.014 0.000 0.311 206 F C 0.264 176.086 175.800 0.036 0.000 1.088 206 F CA -0.690 57.257 58.000 -0.089 0.000 0.949 206 F CB 2.849 41.900 39.000 0.085 0.000 1.322 206 F HN 0.884 nan 8.300 nan 0.000 0.461 207 T N 1.513 116.163 114.554 0.160 0.000 2.993 207 T HA 0.808 5.149 4.350 -0.015 0.000 0.312 207 T C -1.924 172.769 174.700 -0.011 0.000 1.115 207 T CA -0.423 61.756 62.100 0.131 0.000 1.027 207 T CB 1.152 70.154 68.868 0.224 0.000 1.116 207 T HN 0.936 nan 8.240 nan 0.000 0.464 208 A N 2.835 125.572 122.820 -0.139 0.000 2.408 208 A HA 0.732 5.043 4.320 -0.015 0.000 0.295 208 A C -0.610 176.879 177.584 -0.159 0.000 1.040 208 A CA -0.639 51.231 52.037 -0.278 0.000 0.707 208 A CB 1.805 20.278 19.000 -0.878 0.000 1.235 208 A HN 0.670 nan 8.150 nan 0.000 0.418 209 S N 1.831 117.462 115.700 -0.113 0.000 2.498 209 S HA 0.619 5.080 4.470 -0.015 0.000 0.324 209 S C -0.557 174.028 174.600 -0.025 0.000 1.071 209 S CA -0.171 57.983 58.200 -0.077 0.000 1.113 209 S CB 0.110 63.262 63.200 -0.081 0.000 0.976 209 S HN 0.521 nan 8.310 nan 0.000 0.462 210 I N 2.527 123.133 120.570 0.061 0.000 2.436 210 I HA 0.401 4.562 4.170 -0.015 0.000 0.289 210 I C 0.106 176.325 176.117 0.170 0.000 1.010 210 I CA -0.440 60.926 61.300 0.111 0.000 1.098 210 I CB 1.613 39.715 38.000 0.170 0.000 1.266 210 I HN 0.447 nan 8.210 nan 0.000 0.434 211 E N 4.531 124.797 120.200 0.110 0.000 2.191 211 E HA 0.653 4.994 4.350 -0.015 0.000 0.274 211 E C -1.359 175.333 176.600 0.154 0.000 0.948 211 E CA -0.239 56.238 56.400 0.128 0.000 0.802 211 E CB 1.940 31.669 29.700 0.049 0.000 1.137 211 E HN 0.558 nan 8.360 nan 0.000 0.397 212 S N 3.291 119.130 115.700 0.233 0.000 2.556 212 S HA 0.286 4.747 4.470 -0.015 0.000 0.280 212 S C -2.383 172.408 174.600 0.318 0.000 1.141 212 S CA -1.033 57.322 58.200 0.257 0.000 0.883 212 S CB 1.409 64.757 63.200 0.246 0.000 1.103 212 S HN 0.389 nan 8.310 nan 0.000 0.453 213 P HA 0.066 nan 4.420 nan 0.000 0.222 213 P C -0.080 177.371 177.300 0.252 0.000 1.147 213 P CA 0.794 64.053 63.100 0.265 0.000 0.790 213 P CB 0.056 31.915 31.700 0.265 0.000 0.780 214 L N -0.699 120.724 121.223 0.334 0.000 2.322 214 L HA 0.487 4.818 4.340 -0.015 0.000 0.269 214 L C -2.376 174.602 176.870 0.181 0.000 1.012 214 L CA -2.992 51.974 54.840 0.210 0.000 0.815 214 L CB 1.368 43.468 42.059 0.068 0.000 1.295 214 L HN -0.375 nan 8.230 nan 0.000 0.438 215 P HA 0.000 nan 4.420 nan 0.000 0.267 215 P C -1.110 175.905 177.300 -0.476 0.000 1.201 215 P CA 0.034 63.001 63.100 -0.222 0.000 0.775 215 P CB 0.535 32.220 31.700 -0.025 0.000 0.854 216 V N 2.845 122.158 119.914 -1.003 0.000 2.588 216 V HA 0.409 4.520 4.120 -0.015 0.000 0.304 216 V C 0.125 176.051 176.094 -0.280 0.000 1.042 216 V CA -0.672 61.320 62.300 -0.515 0.000 0.877 216 V CB 2.158 33.772 31.823 -0.348 0.000 0.996 216 V HN 0.406 nan 8.190 nan 0.000 0.425 217 V N 2.271 122.004 119.914 -0.302 0.000 2.769 217 V HA 0.846 4.957 4.120 -0.015 0.000 0.312 217 V C -1.020 174.791 176.094 -0.471 0.000 1.058 217 V CA -0.676 61.373 62.300 -0.419 0.000 0.952 217 V CB 1.852 33.313 31.823 -0.602 0.000 1.019 217 V HN 0.710 nan 8.190 nan 0.000 0.445 218 F N 2.232 121.630 119.950 -0.921 0.000 2.626 218 F HA 0.653 5.171 4.527 -0.015 0.000 0.311 218 F C 0.618 176.094 175.800 -0.540 0.000 1.088 218 F CA -0.266 57.194 58.000 -0.901 0.000 0.949 218 F CB 2.384 40.341 39.000 -1.738 0.000 1.322 218 F HN 0.713 nan 8.300 nan 0.000 0.461 219 S N 1.954 116.863 115.700 -1.318 0.000 4.085 219 S HA 0.607 5.068 4.470 -0.015 0.000 0.189 219 S C -0.004 174.217 174.600 -0.632 0.000 1.392 219 S CA 0.259 57.910 58.200 -0.916 0.000 0.972 219 S CB -1.008 61.621 63.200 -0.952 0.000 1.482 219 S HN 1.182 nan 8.310 nan 0.000 0.446 220 G N 0.702 109.434 108.800 -0.113 0.000 2.548 220 G HA2 0.523 4.474 3.960 -0.015 0.000 0.301 220 G HA3 0.523 4.474 3.960 -0.015 0.000 0.301 220 G C -1.484 173.582 174.900 0.278 0.000 1.349 220 G CA -1.054 44.209 45.100 0.272 0.000 0.792 220 G HN 0.434 nan 8.290 nan 0.000 0.481 221 I N 0.883 121.647 120.570 0.323 0.000 2.354 221 I HA 0.391 4.552 4.170 -0.015 0.000 0.292 221 I C 0.725 177.050 176.117 0.347 0.000 0.989 221 I CA -0.700 60.776 61.300 0.292 0.000 1.188 221 I CB 1.741 39.866 38.000 0.208 0.000 1.342 221 I HN 0.393 nan 8.210 nan 0.000 0.457 222 R N 6.066 126.788 120.500 0.370 0.000 2.537 222 R HA 0.340 4.671 4.340 -0.015 0.000 0.280 222 R C -0.565 175.769 176.300 0.057 0.000 1.058 222 R CA -0.020 56.198 56.100 0.197 0.000 1.057 222 R CB 0.482 30.884 30.300 0.170 0.000 0.973 222 R HN 0.529 nan 8.270 nan 0.000 0.438 223 I N 3.290 123.828 120.570 -0.052 0.000 2.677 223 I HA 0.098 4.259 4.170 -0.015 0.000 0.305 223 I C 0.526 176.604 176.117 -0.065 0.000 0.988 223 I CA -0.760 60.517 61.300 -0.039 0.000 1.260 223 I CB 1.231 39.200 38.000 -0.052 0.000 1.410 223 I HN 0.652 nan 8.210 nan 0.000 0.523 224 E N 4.058 124.235 120.200 -0.038 0.000 2.376 224 E HA 0.040 4.381 4.350 -0.015 0.000 0.266 224 E C -1.279 175.280 176.600 -0.069 0.000 1.009 224 E CA -0.117 56.258 56.400 -0.042 0.000 0.902 224 E CB 1.271 30.957 29.700 -0.023 0.000 0.972 224 E HN 0.549 nan 8.360 nan 0.000 0.439 225 D N 1.943 122.294 120.400 -0.081 0.000 2.433 225 D HA 0.496 5.127 4.640 -0.015 0.000 0.236 225 D C -1.105 175.147 176.300 -0.081 0.000 1.026 225 D CA -0.414 53.525 54.000 -0.101 0.000 0.884 225 D CB 2.342 43.050 40.800 -0.153 0.000 1.384 225 D HN 0.523 nan 8.370 nan 0.000 0.477 230 T N 1.171 115.667 114.554 -0.096 0.000 3.122 230 T HA 0.171 4.512 4.350 -0.015 0.000 0.250 230 T C 0.837 175.487 174.700 -0.085 0.000 1.067 230 T CA -0.108 61.946 62.100 -0.077 0.000 0.966 230 T CB -0.304 68.518 68.868 -0.077 0.000 1.002 230 T HN 0.648 nan 8.240 nan 0.000 0.542 231 N N 0.916 119.535 118.700 -0.135 0.000 2.747 231 N HA -0.129 4.602 4.740 -0.015 0.000 0.249 231 N C -0.885 174.516 175.510 -0.182 0.000 1.107 231 N CA 0.095 53.058 53.050 -0.144 0.000 0.707 231 N CB -0.988 37.516 38.487 0.027 0.000 1.054 231 N HN 0.488 nan 8.380 nan 0.000 0.555 232 I N 1.616 122.011 120.570 -0.291 0.000 2.359 232 I HA 0.225 4.386 4.170 -0.015 0.000 0.284 232 I C -0.234 175.673 176.117 -0.350 0.000 1.018 232 I CA -0.613 60.568 61.300 -0.198 0.000 1.173 232 I CB 0.422 38.345 38.000 -0.129 0.000 1.326 232 I HN -0.026 nan 8.210 nan 0.000 0.462 233 Y N 5.475 125.702 120.300 -0.121 0.000 2.308 233 Y HA 0.526 5.067 4.550 -0.015 0.000 0.329 233 Y C 0.377 175.943 175.900 -0.556 0.000 1.111 233 Y CA -0.529 57.386 58.100 -0.308 0.000 1.179 233 Y CB 1.001 39.365 38.460 -0.161 0.000 1.201 233 Y HN 0.417 nan 8.280 nan 0.000 0.483 234 R N 3.140 123.208 120.500 -0.720 0.000 2.513 234 R HA 0.603 4.934 4.340 -0.015 0.000 0.301 234 R C -1.811 173.997 176.300 -0.821 0.000 0.968 234 R CA -0.629 55.107 56.100 -0.607 0.000 0.872 234 R CB 1.282 31.407 30.300 -0.293 0.000 1.177 234 R HN 0.544 nan 8.270 nan 0.000 0.444 235 F N 0.140 120.019 119.950 -0.118 0.000 2.603 235 F HA 0.469 4.987 4.527 -0.015 0.000 0.317 235 F C 0.074 175.864 175.800 -0.017 0.000 1.066 235 F CA -0.943 57.026 58.000 -0.051 0.000 0.941 235 F CB 2.074 41.046 39.000 -0.047 0.000 1.291 235 F HN 0.208 nan 8.300 nan 0.000 0.472 236 E N 0.665 121.040 120.200 0.291 0.000 2.210 236 E HA 0.315 4.656 4.350 -0.015 0.000 0.266 236 E C -1.478 175.307 176.600 0.308 0.000 0.883 236 E CA -1.066 55.482 56.400 0.247 0.000 0.761 236 E CB 2.226 32.025 29.700 0.165 0.000 1.156 236 E HN 0.364 nan 8.360 nan 0.000 0.412 237 Q N 2.860 122.864 119.800 0.340 0.000 2.509 237 Q HA 0.162 4.493 4.340 -0.015 0.000 0.236 237 Q C -0.179 175.965 176.000 0.240 0.000 1.073 237 Q CA 0.036 56.027 55.803 0.314 0.000 0.867 237 Q CB 0.656 29.614 28.738 0.366 0.000 1.181 237 Q HN 0.384 nan 8.270 nan 0.000 0.526 238 K N 1.237 121.729 120.400 0.154 0.000 2.365 238 K HA 0.092 4.403 4.320 -0.015 0.000 0.199 238 K C -0.029 176.566 176.600 -0.007 0.000 1.045 238 K CA 0.372 56.702 56.287 0.071 0.000 0.962 238 K CB 0.518 33.032 32.500 0.024 0.000 0.759 238 K HN 0.308 nan 8.250 nan 0.000 0.469 239 V N 2.552 122.439 119.914 -0.045 0.000 2.532 239 V HA 0.187 4.298 4.120 -0.015 0.000 0.295 239 V C -2.449 173.640 176.094 -0.007 0.000 1.041 239 V CA -2.449 59.725 62.300 -0.209 0.000 0.926 239 V CB 1.392 32.752 31.823 -0.773 0.000 0.992 239 V HN -0.047 nan 8.190 nan 0.000 0.457 240 P HA 0.321 nan 4.420 nan 0.000 0.271 240 P C -0.683 176.717 177.300 0.166 0.000 1.233 240 P CA 0.182 63.337 63.100 0.092 0.000 0.764 240 P CB 0.241 31.966 31.700 0.041 0.000 0.825 241 I N 1.707 122.423 120.570 0.243 0.000 2.846 241 I HA 0.753 4.914 4.170 -0.015 0.000 0.307 241 I C -2.696 173.524 176.117 0.173 0.000 1.053 241 I CA -3.491 57.922 61.300 0.188 0.000 1.050 241 I CB 2.519 40.583 38.000 0.106 0.000 1.239 241 I HN 0.065 nan 8.210 nan 0.000 0.439 242 P HA 0.181 nan 4.420 nan 0.000 0.276 242 P C 0.205 177.519 177.300 0.024 0.000 1.244 242 P CA -0.362 62.774 63.100 0.060 0.000 0.801 242 P CB 1.371 33.075 31.700 0.007 0.000 1.006 243 A N 1.819 124.748 122.820 0.182 0.000 2.014 243 A HA -0.184 4.127 4.320 -0.015 0.000 0.218 243 A C 1.924 179.553 177.584 0.074 0.000 1.163 243 A CA 1.255 53.422 52.037 0.216 0.000 0.652 243 A CB -1.736 17.452 19.000 0.312 0.000 0.808 243 A HN 0.714 nan 8.150 nan 0.000 0.449 244 Y N -1.141 119.207 120.300 0.080 0.000 2.497 244 Y HA 0.125 4.666 4.550 -0.015 0.000 0.292 244 Y C 1.371 177.244 175.900 -0.044 0.000 1.137 244 Y CA 0.834 58.959 58.100 0.041 0.000 1.285 244 Y CB -0.472 38.084 38.460 0.160 0.000 0.991 244 Y HN 0.144 nan 8.280 nan 0.000 0.556 245 L N 0.532 121.371 121.223 -0.640 0.000 2.509 245 L HA 0.092 4.423 4.340 -0.015 0.000 0.222 245 L C 0.609 177.186 176.870 -0.489 0.000 1.123 245 L CA -0.188 54.294 54.840 -0.598 0.000 0.856 245 L CB -0.058 41.609 42.059 -0.652 0.000 0.985 245 L HN 0.152 nan 8.230 nan 0.000 0.456 246 I N 1.505 121.822 120.570 -0.422 0.000 2.741 246 I HA 0.017 4.178 4.170 -0.015 0.000 0.288 246 I C 0.746 176.594 176.117 -0.447 0.000 1.192 246 I CA 0.798 61.796 61.300 -0.504 0.000 1.426 246 I CB 0.134 37.951 38.000 -0.306 0.000 1.367 246 I HN -0.011 nan 8.210 nan 0.000 0.563 247 G N 7.563 115.993 108.800 -0.617 0.000 2.687 247 G HA2 0.729 4.680 3.960 -0.015 0.000 0.301 247 G HA3 0.729 4.680 3.960 -0.015 0.000 0.301 247 G C -1.006 173.701 174.900 -0.322 0.000 1.416 247 G CA -0.430 44.387 45.100 -0.470 0.000 1.005 247 G HN 0.455 nan 8.290 nan 0.000 0.509 248 I N 0.924 121.462 120.570 -0.054 0.000 2.608 248 I HA 0.758 4.919 4.170 -0.015 0.000 0.295 248 I C 0.007 176.168 176.117 0.073 0.000 1.049 248 I CA -1.074 60.230 61.300 0.006 0.000 1.063 248 I CB 2.501 40.515 38.000 0.022 0.000 1.248 248 I HN 0.639 nan 8.210 nan 0.000 0.424 249 A N 3.367 126.141 122.820 -0.077 0.000 2.455 249 A HA 0.820 5.131 4.320 -0.015 0.000 0.300 249 A C -1.035 176.365 177.584 -0.306 0.000 1.040 249 A CA -0.560 51.335 52.037 -0.237 0.000 0.697 249 A CB 2.066 20.839 19.000 -0.378 0.000 1.265 249 A HN 0.582 nan 8.150 nan 0.000 0.407 250 S N 0.800 116.280 115.700 -0.367 0.000 2.575 250 S HA 0.857 5.318 4.470 -0.015 0.000 0.278 250 S C -0.122 174.416 174.600 -0.104 0.000 1.139 250 S CA 0.404 58.509 58.200 -0.158 0.000 0.954 250 S CB 1.235 64.442 63.200 0.013 0.000 1.054 250 S HN 2.383 nan 8.310 nan 0.000 0.483 251 G N 2.202 110.994 108.800 -0.013 0.000 2.428 251 G HA2 0.296 4.247 3.960 -0.015 0.000 0.305 251 G HA3 0.296 4.247 3.960 -0.015 0.000 0.305 251 G C -1.858 173.102 174.900 0.100 0.000 1.260 251 G CA -0.611 44.547 45.100 0.095 0.000 0.853 251 G HN 0.577 nan 8.290 nan 0.000 0.480 252 D N 0.785 121.266 120.400 0.134 0.000 2.470 252 D HA 0.447 5.078 4.640 -0.015 0.000 0.226 252 D C -0.026 176.334 176.300 0.102 0.000 1.196 252 D CA 0.085 54.140 54.000 0.093 0.000 0.979 252 D CB -0.423 40.424 40.800 0.077 0.000 1.059 252 D HN 0.344 nan 8.370 nan 0.000 0.515 253 L N 2.261 123.541 121.223 0.096 0.000 2.346 253 L HA 0.516 4.847 4.340 -0.015 0.000 0.276 253 L C 0.481 177.416 176.870 0.108 0.000 1.006 253 L CA -0.731 54.171 54.840 0.103 0.000 0.817 253 L CB 1.971 44.102 42.059 0.121 0.000 1.272 253 L HN 0.266 nan 8.230 nan 0.000 0.421 254 S N 0.448 116.196 115.700 0.081 0.000 2.806 254 S HA 0.914 5.375 4.470 -0.015 0.000 0.315 254 S C -0.496 174.114 174.600 0.016 0.000 1.127 254 S CA -0.647 57.592 58.200 0.065 0.000 0.918 254 S CB 1.954 65.170 63.200 0.028 0.000 1.240 254 S HN 0.654 nan 8.310 nan 0.000 0.552 255 S N -0.942 114.723 115.700 -0.059 0.000 2.607 255 S HA 0.913 5.374 4.470 -0.015 0.000 0.273 255 S C -1.016 173.482 174.600 -0.170 0.000 1.148 255 S CA -0.573 57.479 58.200 -0.246 0.000 0.833 255 S CB 1.250 64.160 63.200 -0.484 0.000 1.130 255 S HN 1.992 nan 8.310 nan 0.000 0.470 256 A N 1.023 123.719 122.820 -0.206 0.000 2.589 256 A HA 0.846 5.157 4.320 -0.015 0.000 0.296 256 A C -3.420 174.101 177.584 -0.104 0.000 1.062 256 A CA -1.568 50.405 52.037 -0.107 0.000 0.686 256 A CB 1.056 20.023 19.000 -0.055 0.000 1.282 256 A HN 0.587 nan 8.150 nan 0.000 0.404 257 P HA 0.336 nan 4.420 nan 0.000 0.271 257 P C 0.431 177.719 177.300 -0.020 0.000 1.216 257 P CA 0.031 63.107 63.100 -0.039 0.000 0.771 257 P CB 0.299 31.989 31.700 -0.016 0.000 0.864 258 I N -0.138 120.423 120.570 -0.014 0.000 4.225 258 I HA 0.601 4.762 4.170 -0.015 0.000 0.327 258 I C 0.396 176.509 176.117 -0.007 0.000 1.422 258 I CA -0.255 61.049 61.300 0.007 0.000 1.150 258 I CB 0.601 38.635 38.000 0.056 0.000 1.192 258 I HN 0.372 nan 8.210 nan 0.000 0.440 259 G N 1.314 110.111 108.800 -0.006 0.000 2.349 259 G HA2 0.350 4.301 3.960 -0.015 0.000 0.294 259 G HA3 0.350 4.301 3.960 -0.015 0.000 0.294 259 G C -2.872 172.034 174.900 0.010 0.000 1.380 259 G CA -0.401 44.696 45.100 -0.004 0.000 0.811 259 G HN -0.217 nan 8.290 nan 0.000 0.519 260 P HA 0.062 nan 4.420 nan 0.000 0.219 260 P C 1.090 178.418 177.300 0.047 0.000 1.150 260 P CA 0.936 64.054 63.100 0.029 0.000 0.814 260 P CB 0.112 31.831 31.700 0.031 0.000 0.787 261 R N -2.153 118.381 120.500 0.058 0.000 2.659 261 R HA 0.509 4.840 4.340 -0.015 0.000 0.418 261 R C -0.460 175.896 176.300 0.093 0.000 1.076 261 R CA -0.197 55.958 56.100 0.091 0.000 1.093 261 R CB 0.147 30.523 30.300 0.127 0.000 1.400 261 R HN -0.158 nan 8.270 nan 0.000 0.583 262 S N 0.077 115.810 115.700 0.055 0.000 2.540 262 S HA 0.563 5.024 4.470 -0.015 0.000 0.275 262 S C -0.908 173.683 174.600 -0.015 0.000 1.123 262 S CA -0.610 57.608 58.200 0.031 0.000 0.907 262 S CB 2.450 65.676 63.200 0.043 0.000 1.081 262 S HN 0.161 nan 8.310 nan 0.000 0.476 263 T N 1.426 115.944 114.554 -0.060 0.000 2.909 263 T HA 0.600 4.941 4.350 -0.015 0.000 0.299 263 T C -1.245 173.308 174.700 -0.245 0.000 1.073 263 T CA -0.515 61.486 62.100 -0.165 0.000 0.999 263 T CB 1.913 70.648 68.868 -0.220 0.000 1.098 263 T HN 0.452 nan 8.240 nan 0.000 0.477 264 V N 3.389 123.129 119.914 -0.290 0.000 2.513 264 V HA 0.679 4.790 4.120 -0.015 0.000 0.299 264 V C -1.761 174.098 176.094 -0.391 0.000 1.035 264 V CA -0.616 61.556 62.300 -0.214 0.000 0.889 264 V CB 1.005 32.852 31.823 0.041 0.000 0.988 264 V HN 0.854 nan 8.190 nan 0.000 0.440 265 Y N 4.307 124.568 120.300 -0.065 0.000 2.352 265 Y HA 0.775 5.316 4.550 -0.015 0.000 0.339 265 Y C 0.476 176.321 175.900 -0.091 0.000 0.992 265 Y CA -0.222 57.835 58.100 -0.071 0.000 1.100 265 Y CB 2.243 40.646 38.460 -0.095 0.000 1.192 265 Y HN 0.748 nan 8.280 nan 0.000 0.458 266 T N 1.047 115.623 114.554 0.036 0.000 2.686 266 T HA 0.237 4.578 4.350 -0.015 0.000 0.308 266 T C -1.532 173.104 174.700 -0.107 0.000 1.667 266 T CA -0.950 61.111 62.100 -0.065 0.000 0.987 266 T CB 0.713 69.511 68.868 -0.117 0.000 1.652 266 T HN 0.622 nan 8.240 nan 0.000 0.496 267 E N 2.197 122.268 120.200 -0.214 0.000 2.442 267 E HA 0.145 4.486 4.350 -0.015 0.000 0.262 267 E C -1.692 174.711 176.600 -0.329 0.000 1.004 267 E CA -0.999 55.255 56.400 -0.242 0.000 0.928 267 E CB 0.707 30.216 29.700 -0.319 0.000 0.937 267 E HN 0.285 nan 8.360 nan 0.000 0.446 268 P HA -0.205 nan 4.420 nan 0.000 0.216 268 P C 0.911 178.167 177.300 -0.072 0.000 1.150 268 P CA 1.146 64.208 63.100 -0.063 0.000 0.837 268 P CB -0.023 31.698 31.700 0.035 0.000 0.786 269 F N -0.637 119.321 119.950 0.015 0.000 2.269 269 F HA -0.015 4.502 4.527 -0.017 0.000 0.301 269 F C 1.883 177.693 175.800 0.018 0.000 1.082 269 F CA 0.978 58.986 58.000 0.013 0.000 1.360 269 F CB -1.050 37.955 39.000 0.008 0.000 1.041 269 F HN -0.253 nan 8.300 nan 0.000 0.512 270 R N 0.400 120.422 120.500 -0.798 0.000 2.334 270 R HA 0.146 4.477 4.340 -0.015 0.000 0.216 270 R C 1.686 177.848 176.300 -0.230 0.000 0.905 270 R CA 0.002 55.800 56.100 -0.503 0.000 1.064 270 R CB -0.087 29.703 30.300 -0.850 0.000 1.046 270 R HN 0.437 nan 8.270 nan 0.000 0.508 271 L N 1.226 122.342 121.223 -0.178 0.000 2.005 271 L HA -0.085 4.246 4.340 -0.015 0.000 0.207 271 L C 1.605 178.457 176.870 -0.030 0.000 1.072 271 L CA 1.954 56.737 54.840 -0.096 0.000 0.744 271 L CB -0.161 41.855 42.059 -0.071 0.000 0.895 271 L HN -0.080 nan 8.230 nan 0.000 0.433 272 K N -0.439 119.962 120.400 0.001 0.000 2.148 272 K HA -0.126 4.185 4.320 -0.015 0.000 0.204 272 K C 1.768 178.412 176.600 0.073 0.000 1.050 272 K CA 1.280 57.590 56.287 0.039 0.000 0.942 272 K CB -0.173 32.349 32.500 0.037 0.000 0.724 272 K HN 0.359 nan 8.250 nan 0.000 0.446 273 D N 0.433 120.869 120.400 0.060 0.000 2.078 273 D HA -0.162 4.469 4.640 -0.015 0.000 0.193 273 D C 1.945 178.257 176.300 0.019 0.000 0.990 273 D CA 1.081 55.136 54.000 0.090 0.000 0.827 273 D CB -0.586 40.296 40.800 0.137 0.000 0.975 273 D HN 0.172 nan 8.370 nan 0.000 0.451 274 C N 0.750 120.007 119.300 -0.073 0.000 2.401 274 C HA -0.151 4.300 4.460 -0.015 0.000 0.276 274 C C 2.682 177.590 174.990 -0.137 0.000 1.233 274 C CA 0.745 59.651 59.018 -0.187 0.000 1.753 274 C CB -0.949 26.766 27.740 -0.041 0.000 2.029 274 C HN 0.438 nan 8.230 nan 0.000 0.478 275 Q N -1.216 118.595 119.800 0.018 0.000 2.079 275 Q HA -0.250 4.081 4.340 -0.015 0.000 0.200 275 Q C 2.112 178.147 176.000 0.059 0.000 0.974 275 Q CA 1.805 57.648 55.803 0.066 0.000 0.840 275 Q CB -0.260 28.514 28.738 0.060 0.000 0.898 275 Q HN 0.841 nan 8.270 nan 0.000 0.430 276 W N 1.345 122.593 121.300 -0.087 0.000 2.388 276 W HA -0.161 4.482 4.660 -0.028 0.000 0.294 276 W C 1.939 178.377 176.519 -0.134 0.000 1.212 276 W CA 1.639 58.938 57.345 -0.077 0.000 1.271 276 W CB 0.087 29.521 29.460 -0.044 0.000 1.126 276 W HN 0.243 nan 8.180 nan 0.000 0.535 277 E N -0.402 119.728 120.200 -0.116 0.000 2.051 277 E HA -0.191 4.150 4.350 -0.015 0.000 0.192 277 E C 1.834 178.180 176.600 -0.424 0.000 0.991 277 E CA 1.945 58.119 56.400 -0.376 0.000 0.799 277 E CB -0.709 28.590 29.700 -0.669 0.000 0.748 277 E HN 0.267 nan 8.360 nan 0.000 0.449 278 F N 0.674 120.548 119.950 -0.125 0.000 2.473 278 F HA 0.128 4.647 4.527 -0.013 0.000 0.294 278 F C 1.986 177.664 175.800 -0.203 0.000 1.103 278 F CA 0.912 58.828 58.000 -0.141 0.000 1.442 278 F CB -0.571 38.386 39.000 -0.071 0.000 1.097 278 F HN 0.183 nan 8.300 nan 0.000 0.547 279 E N -0.023 120.144 120.200 -0.056 0.000 2.338 279 E HA -0.221 4.120 4.350 -0.015 0.000 0.197 279 E C 1.496 177.994 176.600 -0.170 0.000 1.007 279 E CA 1.381 57.726 56.400 -0.091 0.000 0.849 279 E CB -0.503 29.149 29.700 -0.079 0.000 0.774 279 E HN 0.361 nan 8.360 nan 0.000 0.506 280 N N 0.274 118.814 118.700 -0.268 0.000 2.395 280 N HA -0.061 4.670 4.740 -0.015 0.000 0.175 280 N C 1.080 176.432 175.510 -0.263 0.000 1.029 280 N CA 1.167 54.056 53.050 -0.268 0.000 0.897 280 N CB 0.474 38.751 38.487 -0.351 0.000 0.991 280 N HN 0.115 nan 8.380 nan 0.000 0.441 281 D N -1.111 119.080 120.400 -0.349 0.000 2.454 281 D HA 0.016 4.647 4.640 -0.015 0.000 0.219 281 D C 1.642 177.514 176.300 -0.712 0.000 1.081 281 D CA 0.106 53.753 54.000 -0.587 0.000 0.867 281 D CB 0.347 40.645 40.800 -0.836 0.000 1.054 281 D HN 0.044 nan 8.370 nan 0.000 0.500 282 V N 1.768 121.432 119.914 -0.416 0.000 2.332 282 V HA -0.250 3.861 4.120 -0.015 0.000 0.248 282 V C 2.283 178.285 176.094 -0.152 0.000 1.055 282 V CA 2.202 64.353 62.300 -0.249 0.000 1.038 282 V CB 0.055 31.847 31.823 -0.050 0.000 0.651 282 V HN -0.001 nan 8.190 nan 0.000 0.450 283 E N 0.280 120.404 120.200 -0.126 0.000 2.158 283 E HA -0.187 4.154 4.350 -0.015 0.000 0.191 283 E C 2.220 178.787 176.600 -0.055 0.000 0.982 283 E CA 1.627 57.986 56.400 -0.069 0.000 0.823 283 E CB -0.391 29.281 29.700 -0.046 0.000 0.766 283 E HN 0.647 nan 8.360 nan 0.000 0.468 284 K N -0.785 119.558 120.400 -0.095 0.000 2.057 284 K HA -0.106 4.205 4.320 -0.015 0.000 0.206 284 K C 1.724 178.385 176.600 0.101 0.000 1.050 284 K CA 1.154 57.422 56.287 -0.031 0.000 0.935 284 K CB -0.225 32.228 32.500 -0.079 0.000 0.715 284 K HN 0.083 nan 8.250 nan 0.000 0.439 285 F N 1.913 121.808 119.950 -0.092 0.000 2.069 285 F HA -0.201 4.315 4.527 -0.018 0.000 0.298 285 F C 2.191 177.908 175.800 -0.138 0.000 1.113 285 F CA 0.909 58.838 58.000 -0.119 0.000 1.214 285 F CB -0.948 37.975 39.000 -0.128 0.000 0.978 285 F HN 0.014 nan 8.300 nan 0.000 0.474 286 I N -0.326 120.270 120.570 0.044 0.000 2.163 286 I HA -0.345 3.816 4.170 -0.015 0.000 0.243 286 I C 2.330 178.464 176.117 0.027 0.000 1.085 286 I CA 1.475 62.747 61.300 -0.047 0.000 1.347 286 I CB -0.801 37.100 38.000 -0.165 0.000 1.044 286 I HN 0.224 nan 8.210 nan 0.000 0.408 287 Q N 0.113 119.930 119.800 0.028 0.000 2.167 287 Q HA -0.140 4.191 4.340 -0.015 0.000 0.202 287 Q C 2.250 178.253 176.000 0.005 0.000 0.970 287 Q CA 1.817 57.640 55.803 0.033 0.000 0.855 287 Q CB -0.217 28.538 28.738 0.028 0.000 0.911 287 Q HN 0.498 nan 8.270 nan 0.000 0.438 288 T N 0.857 115.410 114.554 -0.002 0.000 2.746 288 T HA -0.140 4.201 4.350 -0.015 0.000 0.267 288 T C 1.884 176.511 174.700 -0.122 0.000 1.039 288 T CA 1.272 63.345 62.100 -0.045 0.000 1.142 288 T CB -0.197 68.647 68.868 -0.040 0.000 0.866 288 T HN 0.387 nan 8.240 nan 0.000 0.444 289 A N 1.255 123.977 122.820 -0.163 0.000 2.014 289 A HA -0.044 4.267 4.320 -0.015 0.000 0.218 289 A C 2.141 179.443 177.584 -0.470 0.000 1.163 289 A CA 1.170 52.989 52.037 -0.364 0.000 0.652 289 A CB -0.376 18.407 19.000 -0.363 0.000 0.808 289 A HN 0.528 nan 8.150 nan 0.000 0.449 290 E N -0.516 119.585 120.200 -0.166 0.000 2.208 290 E HA -0.130 4.211 4.350 -0.015 0.000 0.193 290 E C 1.948 178.510 176.600 -0.064 0.000 0.988 290 E CA 0.759 57.137 56.400 -0.036 0.000 0.828 290 E CB -0.020 29.770 29.700 0.149 0.000 0.763 290 E HN 0.485 nan 8.360 nan 0.000 0.478 291 K N 0.933 121.289 120.400 -0.074 0.000 2.167 291 K HA -0.047 4.264 4.320 -0.015 0.000 0.203 291 K C 1.934 178.492 176.600 -0.071 0.000 1.052 291 K CA 0.554 56.817 56.287 -0.040 0.000 0.956 291 K CB 0.123 32.610 32.500 -0.021 0.000 0.735 291 K HN 0.119 nan 8.250 nan 0.000 0.451 292 I N 0.489 120.967 120.570 -0.153 0.000 2.406 292 I HA -0.193 3.968 4.170 -0.015 0.000 0.249 292 I C 1.761 177.753 176.117 -0.208 0.000 1.122 292 I CA 0.826 62.037 61.300 -0.149 0.000 1.431 292 I CB 0.072 37.962 38.000 -0.182 0.000 1.087 292 I HN 0.065 nan 8.210 nan 0.000 0.424 293 I N -1.332 118.983 120.570 -0.425 0.000 5.604 293 I HA 0.262 4.423 4.170 -0.015 0.000 0.236 293 I C -0.193 175.742 176.117 -0.305 0.000 0.847 293 I CA -0.263 60.686 61.300 -0.585 0.000 2.148 293 I CB 0.171 37.378 38.000 -1.321 0.000 1.448 293 I HN -0.055 nan 8.210 nan 0.000 0.484 294 F N -0.896 118.946 119.950 -0.180 0.000 2.779 294 F HA 0.459 4.978 4.527 -0.014 0.000 0.316 294 F C -0.330 175.635 175.800 0.276 0.000 1.164 294 F CA -1.293 56.744 58.000 0.061 0.000 0.924 294 F CB 0.827 39.875 39.000 0.080 0.000 1.348 294 F HN 0.119 nan 8.300 nan 0.000 0.467 295 E N 1.298 121.844 120.200 0.576 0.000 2.829 295 E HA -0.151 4.190 4.350 -0.015 0.000 0.264 295 E C -1.035 175.943 176.600 0.630 0.000 0.922 295 E CA -0.094 56.594 56.400 0.480 0.000 0.960 295 E CB 0.292 30.158 29.700 0.277 0.000 0.918 295 E HN 0.616 nan 8.360 nan 0.000 0.497 296 Y N 3.721 124.275 120.300 0.423 0.000 2.712 296 Y HA -0.042 4.500 4.550 -0.013 0.000 0.333 296 Y C 0.812 176.742 175.900 0.051 0.000 1.225 296 Y CA 0.818 59.028 58.100 0.184 0.000 1.499 296 Y CB 0.894 39.449 38.460 0.158 0.000 1.288 296 Y HN 0.737 nan 8.280 nan 0.000 0.575 297 E N 3.026 122.867 120.200 -0.598 0.000 2.476 297 E HA 0.041 4.382 4.350 -0.015 0.000 0.199 297 E C 0.329 176.469 176.600 -0.767 0.000 1.021 297 E CA 0.123 56.164 56.400 -0.598 0.000 0.907 297 E CB 0.122 29.421 29.700 -0.667 0.000 0.974 297 E HN 0.854 nan 8.360 nan 0.000 0.489 298 W N -0.301 120.449 121.300 -0.916 0.000 3.220 298 W HA 0.386 5.037 4.660 -0.015 0.000 0.328 298 W C 1.327 177.715 176.519 -0.219 0.000 1.205 298 W CA 0.408 57.422 57.345 -0.552 0.000 1.773 298 W CB 0.732 29.838 29.460 -0.589 0.000 1.086 298 W HN 0.205 nan 8.180 nan 0.000 0.622 299 G N 0.731 109.551 108.800 0.034 0.000 4.269 299 G HA2 -0.341 3.610 3.960 -0.015 0.000 0.290 299 G HA3 -0.341 3.610 3.960 -0.015 0.000 0.290 299 G C 0.454 175.570 174.900 0.360 0.000 1.570 299 G CA 0.502 45.712 45.100 0.183 0.000 1.072 299 G HN 0.276 nan 8.290 nan 0.000 0.681 300 T N -1.661 113.097 114.554 0.340 0.000 2.907 300 T HA 0.577 4.918 4.350 -0.015 0.000 0.284 300 T C -0.601 174.358 174.700 0.432 0.000 1.004 300 T CA 0.053 62.349 62.100 0.328 0.000 1.063 300 T CB 2.248 71.238 68.868 0.204 0.000 0.992 300 T HN 1.227 nan 8.240 nan 0.000 0.483 301 Y N 2.136 122.521 120.300 0.142 0.000 2.587 301 Y HA 0.418 4.958 4.550 -0.016 0.000 0.328 301 Y C -0.954 174.940 175.900 -0.010 0.000 0.980 301 Y CA -1.117 56.991 58.100 0.014 0.000 1.272 301 Y CB 0.241 38.535 38.460 -0.276 0.000 1.094 301 Y HN 0.702 nan 8.280 nan 0.000 0.503 302 D N 5.550 125.707 120.400 -0.405 0.000 2.268 302 D HA 0.498 5.129 4.640 -0.015 0.000 0.249 302 D C -0.648 175.358 176.300 -0.490 0.000 1.008 302 D CA -0.150 53.683 54.000 -0.278 0.000 0.939 302 D CB 2.219 43.043 40.800 0.040 0.000 1.170 302 D HN 0.514 nan 8.370 nan 0.000 0.468 303 I N 1.473 121.858 120.570 -0.309 0.000 2.478 303 I HA 0.178 4.339 4.170 -0.015 0.000 0.287 303 I C -0.964 175.068 176.117 -0.142 0.000 1.042 303 I CA -0.957 60.139 61.300 -0.340 0.000 1.067 303 I CB 2.112 39.751 38.000 -0.602 0.000 1.233 303 I HN 0.026 nan 8.210 nan 0.000 0.431 304 L N 8.593 129.721 121.223 -0.160 0.000 2.257 304 L HA 0.453 4.784 4.340 -0.015 0.000 0.290 304 L C -0.625 176.097 176.870 -0.246 0.000 1.044 304 L CA -0.183 54.541 54.840 -0.193 0.000 0.810 304 L CB 1.225 43.007 42.059 -0.462 0.000 1.193 304 L HN 0.320 nan 8.230 nan 0.000 0.425 305 V N 6.305 126.134 119.914 -0.141 0.000 2.353 305 V HA 0.301 4.412 4.120 -0.015 0.000 0.264 305 V C 0.716 176.641 176.094 -0.280 0.000 1.049 305 V CA -0.653 61.560 62.300 -0.146 0.000 0.896 305 V CB 0.125 31.957 31.823 0.015 0.000 1.025 305 V HN 0.792 nan 8.190 nan 0.000 0.475 306 N N 2.180 120.589 118.700 -0.485 0.000 2.263 306 N HA 0.223 4.954 4.740 -0.015 0.000 0.239 306 N C 0.222 175.428 175.510 -0.508 0.000 1.317 306 N CA -0.216 52.457 53.050 -0.629 0.000 0.909 306 N CB 1.203 38.989 38.487 -1.168 0.000 1.171 306 N HN 0.546 nan 8.380 nan 0.000 0.492 307 V N -1.331 118.176 119.914 -0.678 0.000 3.185 307 V HA 0.044 4.155 4.120 -0.015 0.000 0.305 307 V C 1.176 177.197 176.094 -0.122 0.000 1.090 307 V CA -0.225 61.816 62.300 -0.433 0.000 1.107 307 V CB 0.471 31.985 31.823 -0.515 0.000 1.061 307 V HN 0.532 nan 8.190 nan 0.000 0.480 308 D N 0.813 121.202 120.400 -0.018 0.000 2.309 308 D HA -0.116 4.515 4.640 -0.015 0.000 0.212 308 D C 1.869 178.224 176.300 0.092 0.000 0.968 308 D CA 1.852 55.883 54.000 0.052 0.000 0.882 308 D CB 0.373 41.208 40.800 0.059 0.000 0.918 308 D HN 0.757 nan 8.370 nan 0.000 0.503 309 S N -0.611 115.161 115.700 0.120 0.000 2.540 309 S HA -0.080 4.381 4.470 -0.015 0.000 0.218 309 S C 0.457 175.203 174.600 0.244 0.000 0.977 309 S CA -0.642 57.671 58.200 0.188 0.000 0.918 309 S CB -0.168 63.141 63.200 0.181 0.000 0.806 309 S HN 0.147 nan 8.310 nan 0.000 0.496 310 Y N 4.010 124.346 120.300 0.060 0.000 2.745 310 Y HA 0.219 4.760 4.550 -0.016 0.000 0.335 310 Y C -2.058 173.800 175.900 -0.069 0.000 1.212 310 Y CA -1.450 56.653 58.100 0.005 0.000 1.535 310 Y CB 0.983 39.340 38.460 -0.171 0.000 1.220 310 Y HN 0.219 nan 8.280 nan 0.000 0.531 311 P HA 0.047 nan 4.420 nan 0.000 0.264 311 P C -0.811 176.042 177.300 -0.746 0.000 1.259 311 P CA 0.588 63.312 63.100 -0.628 0.000 0.841 311 P CB 0.337 31.564 31.700 -0.789 0.000 1.232 312 Y N -0.055 119.792 120.300 -0.755 0.000 2.421 312 Y HA 0.598 5.139 4.550 -0.015 0.000 0.366 312 Y C 2.221 177.985 175.900 -0.227 0.000 1.360 312 Y CA 0.134 57.923 58.100 -0.520 0.000 1.663 312 Y CB -0.240 37.880 38.460 -0.566 0.000 1.677 312 Y HN -0.245 nan 8.280 nan 0.000 0.584 313 G N -1.386 107.504 108.800 0.149 0.000 3.735 313 G HA2 0.483 4.434 3.960 -0.015 0.000 0.283 313 G HA3 0.483 4.434 3.960 -0.015 0.000 0.283 313 G C 0.009 175.049 174.900 0.233 0.000 1.007 313 G CA 0.184 45.370 45.100 0.143 0.000 0.821 313 G HN 1.063 nan 8.290 nan 0.000 0.505 314 G N -0.499 108.527 108.800 0.378 0.000 2.459 314 G HA2 0.419 4.370 3.960 -0.015 0.000 0.685 314 G HA3 0.419 4.370 3.960 -0.015 0.000 0.685 314 G C -1.397 173.653 174.900 0.250 0.000 1.303 314 G CA -0.278 45.010 45.100 0.314 0.000 0.907 314 G HN 0.906 nan 8.290 nan 0.000 0.632 315 M N 0.361 120.076 119.600 0.191 0.000 2.471 315 M HA 0.599 5.070 4.480 -0.015 0.000 0.284 315 M C -0.494 175.799 176.300 -0.012 0.000 1.203 315 M CA -0.912 54.412 55.300 0.040 0.000 0.915 315 M CB 1.932 34.442 32.600 -0.150 0.000 1.734 315 M HN 0.811 nan 8.290 nan 0.000 0.485 316 E N 1.826 121.974 120.200 -0.086 0.000 2.723 316 E HA 0.302 4.643 4.350 -0.015 0.000 0.219 316 E C -1.139 175.307 176.600 -0.257 0.000 1.060 316 E CA -0.198 56.139 56.400 -0.105 0.000 1.291 316 E CB -0.236 29.391 29.700 -0.121 0.000 1.265 316 E HN 0.571 nan 8.360 nan 0.000 0.438 317 S N 3.421 118.919 115.700 -0.337 0.000 2.544 317 S HA 0.137 4.598 4.470 -0.015 0.000 0.290 317 S C -2.246 172.106 174.600 -0.414 0.000 1.276 317 S CA -0.545 57.392 58.200 -0.438 0.000 1.075 317 S CB 0.234 63.105 63.200 -0.549 0.000 0.849 317 S HN 0.306 nan 8.310 nan 0.000 0.494 318 P HA 0.147 nan 4.420 nan 0.000 0.268 318 P C 0.259 177.331 177.300 -0.380 0.000 1.205 318 P CA 0.110 62.822 63.100 -0.647 0.000 0.771 318 P CB 0.147 31.297 31.700 -0.916 0.000 0.858 319 N N -1.139 117.407 118.700 -0.256 0.000 2.857 319 N HA -0.250 4.481 4.740 -0.015 0.000 0.242 319 N C -0.078 175.339 175.510 -0.154 0.000 0.983 319 N CA 1.057 54.051 53.050 -0.094 0.000 0.934 319 N CB -0.914 37.581 38.487 0.014 0.000 1.115 319 N HN 0.379 nan 8.380 nan 0.000 0.593 320 M N 0.779 120.246 119.600 -0.222 0.000 2.291 320 M HA 0.198 4.669 4.480 -0.015 0.000 0.202 320 M C -1.273 174.977 176.300 -0.085 0.000 0.985 320 M CA -0.000 55.197 55.300 -0.172 0.000 0.993 320 M CB 1.161 33.673 32.600 -0.147 0.000 2.723 320 M HN -0.046 nan 8.290 nan 0.000 0.402 321 T N 4.308 118.745 114.554 -0.195 0.000 2.799 321 T HA 0.316 4.657 4.350 -0.015 0.000 0.296 321 T C -0.474 174.284 174.700 0.097 0.000 0.947 321 T CA 0.457 62.517 62.100 -0.066 0.000 1.141 321 T CB -0.202 68.584 68.868 -0.136 0.000 0.891 321 T HN 0.289 nan 8.240 nan 0.000 0.533 322 F N 3.086 122.939 119.950 -0.162 0.000 2.471 322 F HA 0.498 5.016 4.527 -0.015 0.000 0.365 322 F C 0.763 176.468 175.800 -0.159 0.000 1.095 322 F CA -1.492 56.391 58.000 -0.194 0.000 1.174 322 F CB -0.202 38.701 39.000 -0.162 0.000 1.105 322 F HN 0.556 nan 8.300 nan 0.000 0.535 323 A N 2.469 125.229 122.820 -0.100 0.000 2.354 323 A HA 0.660 4.971 4.320 -0.015 0.000 0.321 323 A C -0.168 177.341 177.584 -0.125 0.000 1.125 323 A CA -0.673 51.346 52.037 -0.031 0.000 0.799 323 A CB 1.285 20.291 19.000 0.011 0.000 1.293 323 A HN 0.564 nan 8.150 nan 0.000 0.452 324 T N 0.782 115.362 114.554 0.044 0.000 2.909 324 T HA 0.465 4.806 4.350 -0.015 0.000 0.289 324 T C -1.831 172.917 174.700 0.081 0.000 1.005 324 T CA -1.635 60.514 62.100 0.082 0.000 1.084 324 T CB 0.785 69.785 68.868 0.219 0.000 0.975 324 T HN 0.321 nan 8.240 nan 0.000 0.509 325 P HA -0.009 nan 4.420 nan 0.000 0.223 325 P C 1.304 178.663 177.300 0.100 0.000 1.151 325 P CA 0.812 63.945 63.100 0.055 0.000 0.787 325 P CB -0.147 31.579 31.700 0.043 0.000 0.788 326 T N -3.783 110.871 114.554 0.166 0.000 3.227 326 T HA 0.018 4.359 4.350 -0.015 0.000 0.257 326 T C 1.452 176.269 174.700 0.195 0.000 1.162 326 T CA 0.487 62.729 62.100 0.237 0.000 1.051 326 T CB -1.047 68.090 68.868 0.448 0.000 0.953 326 T HN 0.059 nan 8.240 nan 0.000 0.535 327 L N 0.026 121.338 121.223 0.148 0.000 2.375 327 L HA 0.260 4.591 4.340 -0.015 0.000 0.215 327 L C 0.568 177.450 176.870 0.020 0.000 1.108 327 L CA 0.159 55.080 54.840 0.136 0.000 0.830 327 L CB -0.114 42.081 42.059 0.227 0.000 0.959 327 L HN 0.319 nan 8.230 nan 0.000 0.457 328 I N 1.176 121.716 120.570 -0.050 0.000 2.372 328 I HA 0.032 4.193 4.170 -0.015 0.000 0.298 328 I C 1.203 177.181 176.117 -0.231 0.000 1.137 328 I CA 0.259 61.428 61.300 -0.220 0.000 1.314 328 I CB 0.216 38.061 38.000 -0.259 0.000 1.444 328 I HN -0.001 nan 8.210 nan 0.000 0.541 329 A N 4.504 127.226 122.820 -0.163 0.000 2.140 329 A HA 0.115 4.426 4.320 -0.015 0.000 0.209 329 A C 1.010 178.624 177.584 0.050 0.000 1.181 329 A CA 0.326 52.352 52.037 -0.018 0.000 0.824 329 A CB -0.376 18.662 19.000 0.063 0.000 0.879 329 A HN 0.841 nan 8.150 nan 0.000 0.480 330 H N -1.368 117.781 119.070 0.132 0.000 3.433 330 H HA -0.152 4.393 4.556 -0.019 0.000 0.197 330 H C 0.138 175.598 175.328 0.219 0.000 1.059 330 H CA 1.042 57.157 56.048 0.111 0.000 1.185 330 H CB -1.168 28.577 29.762 -0.028 0.000 1.106 330 H HN 0.703 nan 8.280 nan 0.000 0.329 331 D N -0.497 120.122 120.400 0.365 0.000 2.516 331 D HA 0.171 4.802 4.640 -0.015 0.000 0.241 331 D C 0.651 177.096 176.300 0.241 0.000 1.246 331 D CA 0.226 54.438 54.000 0.353 0.000 0.808 331 D CB 0.297 41.211 40.800 0.190 0.000 1.147 331 D HN 0.316 nan 8.370 nan 0.000 0.527 332 R N -0.095 120.504 120.500 0.165 0.000 3.776 332 R HA -0.163 4.168 4.340 -0.015 0.000 0.312 332 R C 0.951 177.291 176.300 0.068 0.000 1.181 332 R CA 0.938 57.055 56.100 0.028 0.000 0.836 332 R CB -2.657 27.576 30.300 -0.111 0.000 1.324 332 R HN 0.415 nan 8.270 nan 0.000 0.501 333 S N -1.045 114.706 115.700 0.084 0.000 2.458 333 S HA 0.003 4.464 4.470 -0.015 0.000 0.223 333 S C 1.000 175.653 174.600 0.089 0.000 1.019 333 S CA 0.526 58.772 58.200 0.077 0.000 0.937 333 S CB 0.234 63.472 63.200 0.065 0.000 0.788 333 S HN 0.318 nan 8.310 nan 0.000 0.511 334 N N 0.724 119.484 118.700 0.099 0.000 3.025 334 N HA 0.396 5.127 4.740 -0.015 0.000 0.315 334 N C 0.065 175.667 175.510 0.152 0.000 1.511 334 N CA -0.247 52.874 53.050 0.118 0.000 1.097 334 N CB -0.032 38.530 38.487 0.124 0.000 1.395 334 N HN 0.579 nan 8.380 nan 0.000 0.511 335 I N -1.164 119.516 120.570 0.184 0.000 4.124 335 I HA 0.145 4.306 4.170 -0.015 0.000 0.311 335 I C 0.359 176.690 176.117 0.358 0.000 1.259 335 I CA 0.184 61.644 61.300 0.267 0.000 1.315 335 I CB 0.443 38.586 38.000 0.238 0.000 1.223 335 I HN -0.091 nan 8.210 nan 0.000 0.441 336 D N 1.063 121.629 120.400 0.277 0.000 2.354 336 D HA -0.146 4.484 4.640 -0.015 0.000 0.216 336 D C 2.210 178.562 176.300 0.086 0.000 0.970 336 D CA 1.029 55.115 54.000 0.144 0.000 0.905 336 D CB -0.159 40.695 40.800 0.090 0.000 0.903 336 D HN 0.267 nan 8.370 nan 0.000 0.508 337 V N 0.664 120.665 119.914 0.145 0.000 2.720 337 V HA -0.197 3.914 4.120 -0.015 0.000 0.256 337 V C 2.174 178.377 176.094 0.182 0.000 1.082 337 V CA 0.787 63.166 62.300 0.132 0.000 1.101 337 V CB -0.271 31.638 31.823 0.143 0.000 0.693 337 V HN 0.236 nan 8.190 nan 0.000 0.479 338 I N 0.857 121.571 120.570 0.239 0.000 2.546 338 I HA -0.066 4.095 4.170 -0.015 0.000 0.255 338 I C 2.610 178.823 176.117 0.160 0.000 1.163 338 I CA 1.444 62.906 61.300 0.269 0.000 1.457 338 I CB -1.439 36.798 38.000 0.394 0.000 1.092 338 I HN 0.320 nan 8.210 nan 0.000 0.434 339 A N -0.212 122.592 122.820 -0.027 0.000 2.019 339 A HA -0.266 4.045 4.320 -0.015 0.000 0.219 339 A C 2.236 179.780 177.584 -0.066 0.000 1.164 339 A CA 1.804 53.710 52.037 -0.219 0.000 0.644 339 A CB -0.894 17.823 19.000 -0.472 0.000 0.805 339 A HN 0.519 nan 8.150 nan 0.000 0.449 340 H N -0.612 118.431 119.070 -0.044 0.000 2.307 340 H HA -0.034 4.513 4.556 -0.015 0.000 0.303 340 H C 2.013 177.385 175.328 0.074 0.000 1.073 340 H CA 1.956 58.001 56.048 -0.006 0.000 1.338 340 H CB -0.019 29.770 29.762 0.045 0.000 1.389 340 H HN 0.413 nan 8.280 nan 0.000 0.503 341 E N 0.068 120.435 120.200 0.278 0.000 2.077 341 E HA -0.125 4.216 4.350 -0.015 0.000 0.193 341 E C 2.166 178.898 176.600 0.219 0.000 0.989 341 E CA 1.014 57.603 56.400 0.315 0.000 0.800 341 E CB -0.319 29.576 29.700 0.325 0.000 0.746 341 E HN 0.412 nan 8.360 nan 0.000 0.452 342 L N 0.286 121.563 121.223 0.090 0.000 2.046 342 L HA -0.122 4.209 4.340 -0.015 0.000 0.208 342 L C 2.053 178.953 176.870 0.050 0.000 1.077 342 L CA 2.132 56.876 54.840 -0.160 0.000 0.747 342 L CB -0.737 41.079 42.059 -0.404 0.000 0.896 342 L HN 0.122 nan 8.230 nan 0.000 0.432 343 A N -1.609 121.214 122.820 0.005 0.000 1.978 343 A HA -0.264 4.047 4.320 -0.015 0.000 0.220 343 A C 2.173 179.801 177.584 0.073 0.000 1.170 343 A CA 1.679 53.729 52.037 0.022 0.000 0.636 343 A CB -1.029 17.862 19.000 -0.182 0.000 0.810 343 A HN 0.680 nan 8.150 nan 0.000 0.448 344 H N 0.145 119.211 119.070 -0.006 0.000 2.518 344 H HA -0.039 4.508 4.556 -0.015 0.000 0.289 344 H C 2.270 177.578 175.328 -0.033 0.000 1.051 344 H CA 1.233 57.270 56.048 -0.019 0.000 1.280 344 H CB -0.113 29.621 29.762 -0.047 0.000 1.380 344 H HN 0.497 nan 8.280 nan 0.000 0.566 345 S N -0.376 115.351 115.700 0.046 0.000 2.400 345 S HA -0.167 4.294 4.470 -0.015 0.000 0.232 345 S C 1.833 176.364 174.600 -0.114 0.000 1.025 345 S CA 0.881 58.937 58.200 -0.240 0.000 0.993 345 S CB -0.064 62.967 63.200 -0.281 0.000 0.808 345 S HN 0.563 nan 8.310 nan 0.000 0.478 346 W N 1.374 122.672 121.300 -0.003 0.000 2.726 346 W HA 0.224 4.875 4.660 -0.016 0.000 0.285 346 W C 0.997 177.474 176.519 -0.070 0.000 1.110 346 W CA 0.188 57.426 57.345 -0.179 0.000 1.579 346 W CB -0.976 28.040 29.460 -0.741 0.000 1.118 346 W HN 0.196 nan 8.180 nan 0.000 0.556 347 S N 0.296 116.093 115.700 0.161 0.000 2.411 347 S HA 0.589 5.050 4.470 -0.015 0.000 0.294 347 S C 0.551 175.344 174.600 0.322 0.000 1.115 347 S CA 0.353 58.758 58.200 0.342 0.000 1.071 347 S CB 1.212 64.616 63.200 0.341 0.000 0.967 347 S HN 0.537 nan 8.310 nan 0.000 0.488 348 G N 4.256 113.238 108.800 0.303 0.000 2.424 348 G HA2 -0.274 3.677 3.960 -0.015 0.000 0.207 348 G HA3 -0.274 3.677 3.960 -0.015 0.000 0.207 348 G C 0.812 175.857 174.900 0.240 0.000 1.061 348 G CA 0.208 45.497 45.100 0.315 0.000 0.657 348 G HN 0.588 nan 8.290 nan 0.000 0.508 349 N N 0.027 118.845 118.700 0.197 0.000 2.349 349 N HA 0.276 5.007 4.740 -0.015 0.000 0.180 349 N C 1.963 177.688 175.510 0.358 0.000 1.024 349 N CA 1.265 54.384 53.050 0.114 0.000 0.869 349 N CB -0.286 38.084 38.487 -0.195 0.000 1.022 349 N HN 0.404 nan 8.380 nan 0.000 0.433 350 L N 0.245 121.705 121.223 0.395 0.000 2.102 350 L HA 0.218 4.549 4.340 -0.015 0.000 0.202 350 L C -0.082 176.912 176.870 0.205 0.000 1.076 350 L CA 0.967 55.999 54.840 0.320 0.000 0.761 350 L CB 0.144 42.346 42.059 0.239 0.000 0.921 350 L HN -0.179 nan 8.230 nan 0.000 0.444 351 V N 0.698 120.748 119.914 0.227 0.000 2.334 351 V HA 0.361 4.472 4.120 -0.015 0.000 0.281 351 V C -0.353 175.797 176.094 0.093 0.000 1.016 351 V CA -0.555 61.817 62.300 0.120 0.000 0.832 351 V CB 0.948 32.800 31.823 0.048 0.000 0.999 351 V HN 0.234 nan 8.190 nan 0.000 0.439 352 T N 4.739 119.320 114.554 0.045 0.000 2.867 352 T HA 0.308 4.649 4.350 -0.015 0.000 0.282 352 T C 0.189 174.864 174.700 -0.042 0.000 1.000 352 T CA -0.696 61.438 62.100 0.056 0.000 1.042 352 T CB 0.846 69.768 68.868 0.090 0.000 0.973 352 T HN 0.784 nan 8.240 nan 0.000 0.465 353 N N 1.653 120.330 118.700 -0.040 0.000 2.440 353 N HA -0.036 4.695 4.740 -0.015 0.000 0.265 353 N C 1.517 176.897 175.510 -0.217 0.000 1.239 353 N CA -0.306 52.674 53.050 -0.116 0.000 0.909 353 N CB 0.434 38.895 38.487 -0.044 0.000 1.066 353 N HN 0.890 nan 8.380 nan 0.000 0.474 354 C N 0.909 120.086 119.300 -0.205 0.000 2.432 354 C HA 0.074 4.525 4.460 -0.015 0.000 0.282 354 C C 1.033 175.818 174.990 -0.341 0.000 1.388 354 C CA 0.052 58.929 59.018 -0.235 0.000 1.777 354 C CB -1.732 25.905 27.740 -0.170 0.000 1.882 354 C HN 0.811 nan 8.230 nan 0.000 0.520 355 S N -2.835 112.669 115.700 -0.327 0.000 2.625 355 S HA 0.518 4.979 4.470 -0.015 0.000 0.271 355 S C -0.708 173.688 174.600 -0.339 0.000 1.161 355 S CA -0.789 57.169 58.200 -0.403 0.000 0.820 355 S CB -0.081 63.083 63.200 -0.061 0.000 1.137 355 S HN 0.505 nan 8.310 nan 0.000 0.470 356 W N 0.741 122.107 121.300 0.111 0.000 3.292 356 W HA 0.291 4.941 4.660 -0.015 0.000 0.263 356 W C 1.211 177.841 176.519 0.185 0.000 1.318 356 W CA -0.450 56.962 57.345 0.113 0.000 1.663 356 W CB -0.282 29.201 29.460 0.040 0.000 1.114 356 W HN 0.584 nan 8.180 nan 0.000 0.706 357 N N -0.617 118.286 118.700 0.339 0.000 2.446 357 N HA -0.060 4.671 4.740 -0.015 0.000 0.179 357 N C 0.654 176.223 175.510 0.098 0.000 1.054 357 N CA 1.021 54.224 53.050 0.255 0.000 0.905 357 N CB -0.166 38.490 38.487 0.282 0.000 0.973 357 N HN 0.318 nan 8.380 nan 0.000 0.448 358 H N -1.407 117.804 119.070 0.235 0.000 2.549 358 H HA 0.103 4.650 4.556 -0.015 0.000 0.253 358 H C 0.365 175.762 175.328 0.115 0.000 1.170 358 H CA -0.360 55.804 56.048 0.194 0.000 0.943 358 H CB -0.000 29.816 29.762 0.090 0.000 1.849 358 H HN 0.058 nan 8.280 nan 0.000 0.603 359 F N 2.066 122.098 119.950 0.137 0.000 2.333 359 F HA -0.184 4.334 4.527 -0.015 0.000 0.300 359 F C 2.266 178.053 175.800 -0.023 0.000 1.083 359 F CA 0.764 58.802 58.000 0.062 0.000 1.395 359 F CB -0.176 38.871 39.000 0.078 0.000 1.056 359 F HN 0.417 nan 8.300 nan 0.000 0.529 360 W N 0.454 121.679 121.300 -0.125 0.000 2.392 360 W HA -0.171 4.480 4.660 -0.016 0.000 0.279 360 W C 1.197 177.587 176.519 -0.215 0.000 1.225 360 W CA 0.805 58.005 57.345 -0.242 0.000 1.233 360 W CB -1.414 27.964 29.460 -0.137 0.000 1.122 360 W HN 0.091 nan 8.180 nan 0.000 0.561 361 L N 1.321 121.891 121.223 -1.089 0.000 2.275 361 L HA -0.191 4.140 4.340 -0.015 0.000 0.215 361 L C 2.743 179.442 176.870 -0.284 0.000 1.119 361 L CA 1.258 55.542 54.840 -0.927 0.000 0.790 361 L CB -0.961 40.637 42.059 -0.769 0.000 0.919 361 L HN 0.046 nan 8.230 nan 0.000 0.443 362 N N -0.041 118.489 118.700 -0.284 0.000 2.124 362 N HA -0.143 4.588 4.740 -0.015 0.000 0.189 362 N C 1.764 177.165 175.510 -0.182 0.000 1.050 362 N CA 1.307 54.279 53.050 -0.129 0.000 0.848 362 N CB 0.143 38.548 38.487 -0.136 0.000 1.027 362 N HN 0.120 nan 8.380 nan 0.000 0.435 363 E N -0.082 119.784 120.200 -0.557 0.000 2.112 363 E HA 0.045 4.386 4.350 -0.015 0.000 0.190 363 E C 1.790 178.241 176.600 -0.248 0.000 0.979 363 E CA 0.625 56.685 56.400 -0.565 0.000 0.814 363 E CB -0.546 28.324 29.700 -1.384 0.000 0.762 363 E HN 0.479 nan 8.360 nan 0.000 0.460 364 G N -0.112 108.610 108.800 -0.131 0.000 2.404 364 G HA2 -0.247 3.704 3.960 -0.015 0.000 0.215 364 G HA3 -0.247 3.704 3.960 -0.015 0.000 0.215 364 G C 1.448 176.456 174.900 0.179 0.000 1.174 364 G CA 0.377 45.547 45.100 0.115 0.000 0.780 364 G HN 0.282 nan 8.290 nan 0.000 0.537 365 W N 0.981 122.276 121.300 -0.009 0.000 2.364 365 W HA -0.034 4.616 4.660 -0.016 0.000 0.281 365 W C 2.916 179.509 176.519 0.124 0.000 1.219 365 W CA 1.372 58.761 57.345 0.073 0.000 1.220 365 W CB 0.176 29.642 29.460 0.009 0.000 1.127 365 W HN 0.120 nan 8.180 nan 0.000 0.556 366 T N -0.803 113.870 114.554 0.198 0.000 2.894 366 T HA -0.129 4.212 4.350 -0.015 0.000 0.258 366 T C 1.800 176.495 174.700 -0.008 0.000 1.043 366 T CA 1.204 63.244 62.100 -0.099 0.000 1.141 366 T CB -0.513 67.962 68.868 -0.655 0.000 0.873 366 T HN -0.171 nan 8.240 nan 0.000 0.449 367 V N 0.932 120.942 119.914 0.159 0.000 2.343 367 V HA -0.175 3.936 4.120 -0.015 0.000 0.247 367 V C 1.996 178.216 176.094 0.211 0.000 1.051 367 V CA 1.652 64.072 62.300 0.200 0.000 1.036 367 V CB -0.667 31.285 31.823 0.216 0.000 0.654 367 V HN 0.522 nan 8.190 nan 0.000 0.451 368 Y N 0.739 121.253 120.300 0.356 0.000 2.049 368 Y HA -0.262 4.280 4.550 -0.013 0.000 0.277 368 Y C 2.252 178.332 175.900 0.299 0.000 1.143 368 Y CA 1.977 60.372 58.100 0.492 0.000 1.115 368 Y CB -0.436 38.240 38.460 0.361 0.000 0.975 368 Y HN 0.142 nan 8.280 nan 0.000 0.487 369 L N 0.425 121.836 121.223 0.315 0.000 2.079 369 L HA -0.237 4.094 4.340 -0.015 0.000 0.210 369 L C 2.599 179.402 176.870 -0.111 0.000 1.081 369 L CA 1.943 56.822 54.840 0.065 0.000 0.752 369 L CB -0.786 41.325 42.059 0.087 0.000 0.896 369 L HN 0.422 nan 8.230 nan 0.000 0.433 370 E N 0.865 121.019 120.200 -0.078 0.000 2.051 370 E HA -0.256 4.085 4.350 -0.015 0.000 0.192 370 E C 2.319 178.820 176.600 -0.164 0.000 0.991 370 E CA 1.309 57.637 56.400 -0.119 0.000 0.799 370 E CB 0.031 29.720 29.700 -0.018 0.000 0.748 370 E HN 0.383 nan 8.360 nan 0.000 0.449 371 R N -0.303 120.094 120.500 -0.172 0.000 2.189 371 R HA 0.039 4.370 4.340 -0.015 0.000 0.223 371 R C 2.500 178.689 176.300 -0.185 0.000 1.092 371 R CA 0.651 56.625 56.100 -0.210 0.000 0.989 371 R CB 0.055 30.169 30.300 -0.311 0.000 0.876 371 R HN 0.062 nan 8.270 nan 0.000 0.457 372 R N 0.318 120.677 120.500 -0.235 0.000 2.093 372 R HA 0.023 4.354 4.340 -0.015 0.000 0.224 372 R C 2.101 178.300 176.300 -0.169 0.000 1.101 372 R CA 0.986 56.956 56.100 -0.216 0.000 0.979 372 R CB -0.259 29.862 30.300 -0.298 0.000 0.877 372 R HN 0.276 nan 8.270 nan 0.000 0.441 373 I N 1.399 121.845 120.570 -0.206 0.000 2.202 373 I HA -0.267 3.894 4.170 -0.015 0.000 0.242 373 I C 2.400 178.373 176.117 -0.239 0.000 1.091 373 I CA 1.269 62.429 61.300 -0.234 0.000 1.368 373 I CB -0.316 37.500 38.000 -0.307 0.000 1.058 373 I HN 0.082 nan 8.210 nan 0.000 0.410 374 I N -1.094 119.336 120.570 -0.233 0.000 2.315 374 I HA -0.068 4.093 4.170 -0.015 0.000 0.248 374 I C 2.529 178.599 176.117 -0.079 0.000 1.117 374 I CA 1.674 62.872 61.300 -0.171 0.000 1.404 374 I CB -1.559 36.391 38.000 -0.084 0.000 1.071 374 I HN 0.142 nan 8.210 nan 0.000 0.419 375 G N 1.132 109.895 108.800 -0.062 0.000 2.442 375 G HA2 -0.214 3.737 3.960 -0.015 0.000 0.219 375 G HA3 -0.214 3.737 3.960 -0.015 0.000 0.219 375 G C 1.790 176.687 174.900 -0.006 0.000 1.141 375 G CA 1.046 46.144 45.100 -0.003 0.000 0.763 375 G HN 0.600 nan 8.290 nan 0.000 0.554 376 A N 0.031 122.820 122.820 -0.052 0.000 2.014 376 A HA 0.256 4.567 4.320 -0.015 0.000 0.218 376 A C 2.336 179.886 177.584 -0.056 0.000 1.163 376 A CA 0.892 52.904 52.037 -0.042 0.000 0.652 376 A CB -0.140 18.825 19.000 -0.059 0.000 0.808 376 A HN 0.392 nan 8.150 nan 0.000 0.449 377 I N -2.024 118.473 120.570 -0.122 0.000 2.429 377 I HA -0.041 4.120 4.170 -0.015 0.000 0.247 377 I C 1.864 177.851 176.117 -0.216 0.000 1.099 377 I CA 0.756 61.928 61.300 -0.212 0.000 1.422 377 I CB -0.146 37.648 38.000 -0.344 0.000 1.112 377 I HN 0.319 nan 8.210 nan 0.000 0.430 378 H N 0.448 119.533 119.070 0.025 0.000 2.622 378 H HA 0.371 4.921 4.556 -0.011 0.000 0.269 378 H C 0.677 176.022 175.328 0.028 0.000 0.977 378 H CA 0.784 56.849 56.048 0.029 0.000 1.179 378 H CB 0.566 30.343 29.762 0.026 0.000 1.458 378 H HN 0.339 nan 8.280 nan 0.000 0.531 379 G N 1.074 109.947 108.800 0.121 0.000 2.587 379 G HA2 -0.208 3.743 3.960 -0.015 0.000 0.686 379 G HA3 -0.208 3.743 3.960 -0.015 0.000 0.686 379 G C 0.423 175.393 174.900 0.117 0.000 1.236 379 G CA -0.009 45.152 45.100 0.100 0.000 0.820 379 G HN 0.166 nan 8.290 nan 0.000 0.645 380 E N 0.469 120.748 120.200 0.131 0.000 2.085 380 E HA -0.010 4.331 4.350 -0.015 0.000 0.194 380 E C 0.135 176.897 176.600 0.270 0.000 0.994 380 E CA 2.325 58.853 56.400 0.214 0.000 0.801 380 E CB -0.540 29.300 29.700 0.233 0.000 0.743 380 E HN 0.353 nan 8.360 nan 0.000 0.453 381 P HA -0.118 nan 4.420 nan 0.000 0.218 381 P C 0.989 178.379 177.300 0.149 0.000 1.148 381 P CA 1.751 64.924 63.100 0.122 0.000 0.822 381 P CB -0.054 31.666 31.700 0.033 0.000 0.784 382 T N -0.725 113.905 114.554 0.127 0.000 2.737 382 T HA -0.140 4.201 4.350 -0.015 0.000 0.265 382 T C 1.873 176.634 174.700 0.102 0.000 1.038 382 T CA 1.214 63.391 62.100 0.127 0.000 1.144 382 T CB -0.477 68.462 68.868 0.118 0.000 0.866 382 T HN 0.178 nan 8.240 nan 0.000 0.434 383 R N 0.375 120.912 120.500 0.062 0.000 2.096 383 R HA -0.137 4.194 4.340 -0.015 0.000 0.235 383 R C 2.341 178.527 176.300 -0.191 0.000 1.127 383 R CA 1.389 57.446 56.100 -0.072 0.000 0.968 383 R CB -0.364 29.902 30.300 -0.056 0.000 0.861 383 R HN 0.503 nan 8.270 nan 0.000 0.440 384 H N -0.795 118.232 119.070 -0.071 0.000 2.387 384 H HA -0.159 4.387 4.556 -0.016 0.000 0.299 384 H C 1.831 177.041 175.328 -0.197 0.000 1.090 384 H CA 1.801 57.754 56.048 -0.159 0.000 1.332 384 H CB -0.207 29.610 29.762 0.093 0.000 1.386 384 H HN 0.245 nan 8.280 nan 0.000 0.516 385 F N 1.383 121.281 119.950 -0.087 0.000 2.113 385 F HA -0.165 4.355 4.527 -0.012 0.000 0.297 385 F C 2.682 178.356 175.800 -0.210 0.000 1.103 385 F CA 1.030 58.944 58.000 -0.142 0.000 1.248 385 F CB -0.479 38.440 39.000 -0.134 0.000 0.999 385 F HN -0.100 nan 8.300 nan 0.000 0.475 386 S N 0.211 115.716 115.700 -0.326 0.000 2.365 386 S HA -0.251 4.210 4.470 -0.015 0.000 0.225 386 S C 2.316 176.593 174.600 -0.538 0.000 1.039 386 S CA 1.369 59.307 58.200 -0.437 0.000 1.033 386 S CB -0.900 62.102 63.200 -0.330 0.000 0.887 386 S HN 0.543 nan 8.310 nan 0.000 0.447 387 A N 0.961 123.391 122.820 -0.651 0.000 1.877 387 A HA -0.074 4.237 4.320 -0.015 0.000 0.216 387 A C 2.104 179.359 177.584 -0.547 0.000 1.186 387 A CA 1.586 53.123 52.037 -0.832 0.000 0.620 387 A CB -0.750 17.418 19.000 -1.387 0.000 0.822 387 A HN 0.464 nan 8.150 nan 0.000 0.443 388 L N -0.047 120.895 121.223 -0.469 0.000 2.083 388 L HA -0.064 4.267 4.340 -0.015 0.000 0.209 388 L C 2.112 178.927 176.870 -0.093 0.000 1.083 388 L CA 1.662 56.429 54.840 -0.122 0.000 0.752 388 L CB -0.499 41.562 42.059 0.004 0.000 0.899 388 L HN 0.427 nan 8.230 nan 0.000 0.433 389 I N -0.593 119.775 120.570 -0.338 0.000 2.394 389 I HA -0.154 4.007 4.170 -0.015 0.000 0.251 389 I C 2.415 178.439 176.117 -0.156 0.000 1.136 389 I CA 1.097 62.219 61.300 -0.296 0.000 1.425 389 I CB -0.954 36.752 38.000 -0.490 0.000 1.079 389 I HN 0.389 nan 8.210 nan 0.000 0.425 390 G N 0.194 108.890 108.800 -0.172 0.000 2.408 390 G HA2 -0.251 3.700 3.960 -0.015 0.000 0.217 390 G HA3 -0.251 3.700 3.960 -0.015 0.000 0.217 390 G C 1.525 176.447 174.900 0.036 0.000 1.150 390 G CA 0.028 45.065 45.100 -0.106 0.000 0.776 390 G HN 0.493 nan 8.290 nan 0.000 0.542 391 W N 1.449 122.731 121.300 -0.029 0.000 2.338 391 W HA -0.150 4.500 4.660 -0.016 0.000 0.304 391 W C 2.545 179.085 176.519 0.035 0.000 1.212 391 W CA 1.646 59.027 57.345 0.059 0.000 1.264 391 W CB -0.487 29.050 29.460 0.128 0.000 1.142 391 W HN 0.320 nan 8.180 nan 0.000 0.512 392 S N 0.659 116.455 115.700 0.161 0.000 2.359 392 S HA -0.200 4.261 4.470 -0.015 0.000 0.224 392 S C 1.375 175.950 174.600 -0.042 0.000 1.035 392 S CA 2.017 60.258 58.200 0.068 0.000 1.018 392 S CB -0.501 62.751 63.200 0.088 0.000 0.876 392 S HN 0.192 nan 8.310 nan 0.000 0.448 393 D N 0.951 121.312 120.400 -0.064 0.000 2.149 393 D HA -0.082 4.549 4.640 -0.015 0.000 0.198 393 D C 1.854 178.086 176.300 -0.114 0.000 0.990 393 D CA 0.685 54.633 54.000 -0.087 0.000 0.839 393 D CB -0.476 40.261 40.800 -0.105 0.000 0.948 393 D HN 0.323 nan 8.370 nan 0.000 0.460 394 L N 0.819 121.940 121.223 -0.171 0.000 2.017 394 L HA -0.172 4.159 4.340 -0.015 0.000 0.208 394 L C 2.302 179.027 176.870 -0.241 0.000 1.073 394 L CA 1.751 56.458 54.840 -0.222 0.000 0.745 394 L CB -0.753 41.087 42.059 -0.365 0.000 0.894 394 L HN -0.094 nan 8.230 nan 0.000 0.432 395 Q N -0.640 118.983 119.800 -0.295 0.000 2.079 395 Q HA -0.161 4.170 4.340 -0.015 0.000 0.200 395 Q C 1.890 177.832 176.000 -0.098 0.000 0.974 395 Q CA 1.774 57.452 55.803 -0.210 0.000 0.840 395 Q CB -0.114 28.514 28.738 -0.183 0.000 0.898 395 Q HN 0.580 nan 8.270 nan 0.000 0.430 396 N N -0.361 118.297 118.700 -0.069 0.000 2.223 396 N HA -0.135 4.596 4.740 -0.015 0.000 0.185 396 N C 1.643 177.134 175.510 -0.032 0.000 1.016 396 N CA 1.332 54.363 53.050 -0.032 0.000 0.863 396 N CB -0.383 38.095 38.487 -0.016 0.000 0.983 396 N HN 0.173 nan 8.380 nan 0.000 0.429 397 S N 0.607 116.277 115.700 -0.050 0.000 2.406 397 S HA 0.140 4.601 4.470 -0.015 0.000 0.228 397 S C 1.922 176.512 174.600 -0.015 0.000 1.020 397 S CA 0.188 58.370 58.200 -0.030 0.000 0.965 397 S CB 0.055 63.236 63.200 -0.032 0.000 0.798 397 S HN 0.181 nan 8.310 nan 0.000 0.488 398 I N 0.947 121.493 120.570 -0.040 0.000 2.400 398 I HA -0.058 4.103 4.170 -0.015 0.000 0.248 398 I C 1.725 177.834 176.117 -0.013 0.000 1.109 398 I CA 0.809 62.093 61.300 -0.028 0.000 1.425 398 I CB -0.178 37.781 38.000 -0.069 0.000 1.094 398 I HN 0.184 nan 8.210 nan 0.000 0.425 399 D N -0.012 120.375 120.400 -0.021 0.000 2.149 399 D HA -0.189 4.442 4.640 -0.015 0.000 0.198 399 D C 2.181 178.487 176.300 0.009 0.000 0.990 399 D CA 1.509 55.507 54.000 -0.005 0.000 0.839 399 D CB -0.023 40.776 40.800 -0.003 0.000 0.948 399 D HN 0.191 nan 8.370 nan 0.000 0.460 400 S N -0.494 115.212 115.700 0.010 0.000 2.510 400 S HA 0.054 4.515 4.470 -0.015 0.000 0.230 400 S C 0.986 175.603 174.600 0.028 0.000 1.066 400 S CA -0.291 57.919 58.200 0.018 0.000 0.941 400 S CB -0.140 63.068 63.200 0.013 0.000 0.829 400 S HN 0.262 nan 8.310 nan 0.000 0.530 401 M N 2.095 121.715 119.600 0.033 0.000 2.219 401 M HA 0.069 4.540 4.480 -0.015 0.000 0.340 401 M C -0.805 175.542 176.300 0.077 0.000 1.135 401 M CA 0.451 55.783 55.300 0.054 0.000 0.976 401 M CB -0.106 32.538 32.600 0.074 0.000 1.713 401 M HN -0.026 nan 8.290 nan 0.000 0.457 402 K N 1.905 122.359 120.400 0.090 0.000 2.218 402 K HA 0.131 4.442 4.320 -0.015 0.000 0.276 402 K C -0.047 176.674 176.600 0.202 0.000 1.022 402 K CA -0.262 56.092 56.287 0.113 0.000 0.946 402 K CB 0.440 32.996 32.500 0.093 0.000 1.000 402 K HN 0.823 nan 8.250 nan 0.000 0.468 403 D N 1.512 122.003 120.400 0.152 0.000 2.699 403 D HA -0.081 4.550 4.640 -0.015 0.000 0.239 403 D C -1.836 174.538 176.300 0.123 0.000 1.136 403 D CA 0.064 54.142 54.000 0.130 0.000 0.668 403 D CB -0.409 40.504 40.800 0.189 0.000 1.060 403 D HN 0.357 nan 8.370 nan 0.000 0.429 404 P HA -0.112 nan 4.420 nan 0.000 0.236 404 P C 1.035 178.358 177.300 0.039 0.000 1.172 404 P CA 0.932 64.079 63.100 0.079 0.000 0.759 404 P CB 0.071 31.798 31.700 0.046 0.000 0.843 405 E N -1.067 119.135 120.200 0.002 0.000 2.364 405 E HA 0.041 4.382 4.350 -0.015 0.000 0.196 405 E C 2.039 178.598 176.600 -0.069 0.000 0.990 405 E CA -0.087 56.297 56.400 -0.027 0.000 0.886 405 E CB -0.155 29.527 29.700 -0.030 0.000 0.866 405 E HN 0.182 nan 8.360 nan 0.000 0.493 406 R N 0.463 120.864 120.500 -0.165 0.000 2.103 406 R HA 0.127 4.458 4.340 -0.015 0.000 0.212 406 R C 1.432 177.581 176.300 -0.251 0.000 1.107 406 R CA 0.377 56.292 56.100 -0.308 0.000 1.025 406 R CB 0.070 29.984 30.300 -0.643 0.000 0.929 406 R HN 0.095 nan 8.270 nan 0.000 0.456 407 F N 0.229 120.214 119.950 0.057 0.000 2.789 407 F HA 0.099 4.617 4.527 -0.015 0.000 0.300 407 F C 2.232 178.069 175.800 0.063 0.000 1.132 407 F CA 0.258 58.300 58.000 0.070 0.000 1.404 407 F CB 0.429 39.473 39.000 0.072 0.000 1.114 407 F HN 0.100 nan 8.300 nan 0.000 0.584 408 S N -0.873 114.926 115.700 0.165 0.000 2.548 408 S HA -0.024 4.437 4.470 -0.015 0.000 0.215 408 S C 0.989 175.623 174.600 0.056 0.000 0.976 408 S CA -0.050 58.209 58.200 0.098 0.000 0.908 408 S CB -0.412 62.819 63.200 0.052 0.000 0.781 408 S HN 0.164 nan 8.310 nan 0.000 0.519 409 T N 1.586 116.176 114.554 0.059 0.000 2.907 409 T HA 0.271 4.612 4.350 -0.015 0.000 0.298 409 T C 1.075 175.778 174.700 0.005 0.000 1.017 409 T CA -0.354 61.760 62.100 0.024 0.000 1.118 409 T CB 0.606 69.500 68.868 0.044 0.000 0.948 409 T HN 0.304 nan 8.240 nan 0.000 0.531 410 L N 6.620 127.793 121.223 -0.083 0.000 1.961 410 L HA 0.161 4.492 4.340 -0.015 0.000 0.210 410 L C 0.862 177.642 176.870 -0.150 0.000 1.072 410 L CA 1.734 56.482 54.840 -0.153 0.000 0.749 410 L CB -0.360 41.504 42.059 -0.325 0.000 0.889 410 L HN 0.524 nan 8.230 nan 0.000 0.432 411 V N 2.572 122.305 119.914 -0.302 0.000 2.439 411 V HA 0.119 4.230 4.120 -0.015 0.000 0.271 411 V C 0.466 176.528 176.094 -0.053 0.000 1.040 411 V CA -0.581 61.574 62.300 -0.242 0.000 1.002 411 V CB 0.450 31.936 31.823 -0.561 0.000 1.000 411 V HN 0.354 nan 8.190 nan 0.000 0.477 412 Q N 3.256 123.091 119.800 0.059 0.000 2.414 412 Q HA 0.284 4.615 4.340 -0.015 0.000 0.206 412 Q C 0.282 176.382 176.000 0.165 0.000 1.058 412 Q CA -0.117 55.780 55.803 0.157 0.000 1.025 412 Q CB 0.598 29.487 28.738 0.252 0.000 1.196 412 Q HN 0.735 nan 8.270 nan 0.000 0.586 413 N N 0.810 119.626 118.700 0.194 0.000 2.697 413 N HA 0.170 4.901 4.740 -0.015 0.000 0.253 413 N C -1.664 173.961 175.510 0.191 0.000 1.604 413 N CA -0.014 53.152 53.050 0.192 0.000 0.772 413 N CB -0.072 38.515 38.487 0.168 0.000 1.267 413 N HN 0.383 nan 8.380 nan 0.000 0.510 414 L N 1.279 122.638 121.223 0.226 0.000 2.319 414 L HA 0.381 4.712 4.340 -0.015 0.000 0.280 414 L C 0.956 177.943 176.870 0.195 0.000 1.099 414 L CA -0.571 54.402 54.840 0.221 0.000 0.828 414 L CB 0.432 42.638 42.059 0.243 0.000 1.150 414 L HN 0.215 nan 8.230 nan 0.000 0.442 415 N N 1.910 120.707 118.700 0.162 0.000 2.385 415 N HA 0.001 4.732 4.740 -0.015 0.000 0.291 415 N C 0.612 176.210 175.510 0.147 0.000 1.298 415 N CA -0.307 52.833 53.050 0.149 0.000 0.955 415 N CB 0.326 38.882 38.487 0.115 0.000 1.096 415 N HN 0.610 nan 8.380 nan 0.000 0.543 416 D N -1.018 119.460 120.400 0.130 0.000 2.390 416 D HA -0.091 4.540 4.640 -0.015 0.000 0.235 416 D C 0.607 176.958 176.300 0.084 0.000 1.040 416 D CA 0.568 54.637 54.000 0.115 0.000 0.923 416 D CB -0.447 40.419 40.800 0.109 0.000 0.886 416 D HN 0.439 nan 8.370 nan 0.000 0.532 417 N N -0.523 118.228 118.700 0.086 0.000 2.516 417 N HA -0.035 4.696 4.740 -0.015 0.000 0.197 417 N C 0.124 175.680 175.510 0.077 0.000 1.064 417 N CA 0.176 53.269 53.050 0.071 0.000 0.866 417 N CB -0.655 37.872 38.487 0.068 0.000 1.255 417 N HN -0.106 nan 8.380 nan 0.000 0.447 418 T N 2.403 117.022 114.554 0.108 0.000 2.814 418 T HA 0.038 4.379 4.350 -0.015 0.000 0.297 418 T C -0.579 174.160 174.700 0.064 0.000 0.956 418 T CA -0.128 62.048 62.100 0.128 0.000 1.123 418 T CB 0.725 69.732 68.868 0.232 0.000 0.902 418 T HN 0.137 nan 8.240 nan 0.000 0.528 419 D N 4.241 124.644 120.400 0.004 0.000 2.487 419 D HA 0.059 4.690 4.640 -0.015 0.000 0.243 419 D C -1.445 174.779 176.300 -0.127 0.000 1.154 419 D CA -1.942 52.008 54.000 -0.083 0.000 0.876 419 D CB 1.199 41.929 40.800 -0.118 0.000 1.161 419 D HN 0.141 nan 8.370 nan 0.000 0.478 420 P HA -0.097 nan 4.420 nan 0.000 0.223 420 P C 0.481 177.536 177.300 -0.408 0.000 1.144 420 P CA 0.685 63.647 63.100 -0.232 0.000 0.783 420 P CB 0.288 31.734 31.700 -0.423 0.000 0.771 421 D N -0.829 119.278 120.400 -0.489 0.000 2.219 421 D HA -0.128 4.503 4.640 -0.015 0.000 0.205 421 D C 1.436 177.547 176.300 -0.315 0.000 0.970 421 D CA 0.933 54.604 54.000 -0.547 0.000 0.851 421 D CB -0.586 39.959 40.800 -0.424 0.000 0.943 421 D HN 0.180 nan 8.370 nan 0.000 0.488 422 D N 0.119 120.316 120.400 -0.337 0.000 2.264 422 D HA -0.062 4.569 4.640 -0.015 0.000 0.208 422 D C 1.750 177.812 176.300 -0.397 0.000 0.966 422 D CA 0.577 54.217 54.000 -0.601 0.000 0.864 422 D CB 0.022 40.122 40.800 -1.167 0.000 0.933 422 D HN 0.148 nan 8.370 nan 0.000 0.499 423 A N -0.013 122.790 122.820 -0.027 0.000 2.167 423 A HA -0.010 4.301 4.320 -0.015 0.000 0.214 423 A C 0.732 178.529 177.584 0.355 0.000 1.151 423 A CA 0.032 52.213 52.037 0.239 0.000 0.735 423 A CB -0.434 18.759 19.000 0.322 0.000 0.802 423 A HN 0.099 nan 8.150 nan 0.000 0.467 424 F N 1.119 121.030 119.950 -0.066 0.000 2.335 424 F HA 0.407 4.925 4.527 -0.015 0.000 0.365 424 F C 0.906 176.769 175.800 0.106 0.000 1.122 424 F CA -0.117 57.924 58.000 0.068 0.000 1.151 424 F CB 0.939 39.895 39.000 -0.073 0.000 1.282 424 F HN 0.235 nan 8.300 nan 0.000 0.513 425 S N 0.547 116.437 115.700 0.317 0.000 2.903 425 S HA 0.328 4.789 4.470 -0.015 0.000 0.314 425 S C 0.554 175.305 174.600 0.252 0.000 1.177 425 S CA -0.534 57.789 58.200 0.205 0.000 0.859 425 S CB 1.439 64.720 63.200 0.136 0.000 1.265 425 S HN 0.263 nan 8.310 nan 0.000 0.584 426 T N 1.283 115.909 114.554 0.121 0.000 3.072 426 T HA 0.044 4.385 4.350 -0.015 0.000 0.266 426 T C 1.835 176.664 174.700 0.215 0.000 1.127 426 T CA 1.069 63.227 62.100 0.096 0.000 1.107 426 T CB -0.539 68.310 68.868 -0.031 0.000 0.910 426 T HN 0.450 nan 8.240 nan 0.000 0.513 427 V N 2.369 122.393 119.914 0.184 0.000 2.231 427 V HA -0.166 3.945 4.120 -0.015 0.000 0.248 427 V C -0.241 175.968 176.094 0.191 0.000 1.054 427 V CA 1.818 64.208 62.300 0.151 0.000 1.015 427 V CB -1.921 29.978 31.823 0.126 0.000 0.638 427 V HN 0.333 nan 8.190 nan 0.000 0.444 428 P HA -0.173 nan 4.420 nan 0.000 0.215 428 P C 1.464 178.792 177.300 0.047 0.000 1.157 428 P CA 1.762 64.915 63.100 0.089 0.000 0.874 428 P CB -0.179 31.456 31.700 -0.108 0.000 0.790 429 Y N -0.149 120.189 120.300 0.062 0.000 2.089 429 Y HA -0.163 4.378 4.550 -0.015 0.000 0.282 429 Y C 2.523 178.515 175.900 0.153 0.000 1.139 429 Y CA 1.361 59.514 58.100 0.088 0.000 1.123 429 Y CB -1.065 37.426 38.460 0.052 0.000 0.980 429 Y HN -0.034 nan 8.280 nan 0.000 0.493 430 E N -0.033 120.358 120.200 0.318 0.000 2.075 430 E HA -0.083 4.258 4.350 -0.015 0.000 0.190 430 E C 2.053 178.850 176.600 0.328 0.000 0.969 430 E CA 0.592 57.164 56.400 0.286 0.000 0.815 430 E CB -0.306 29.482 29.700 0.146 0.000 0.776 430 E HN 0.371 nan 8.360 nan 0.000 0.457 431 K N 0.737 121.273 120.400 0.226 0.000 2.148 431 K HA -0.059 4.252 4.320 -0.015 0.000 0.204 431 K C 2.022 178.731 176.600 0.182 0.000 1.050 431 K CA 1.235 57.669 56.287 0.244 0.000 0.942 431 K CB -0.182 32.402 32.500 0.140 0.000 0.724 431 K HN 0.114 nan 8.250 nan 0.000 0.446 432 G N 0.596 109.488 108.800 0.153 0.000 2.403 432 G HA2 -0.252 3.699 3.960 -0.015 0.000 0.216 432 G HA3 -0.252 3.699 3.960 -0.015 0.000 0.216 432 G C 1.266 176.258 174.900 0.154 0.000 1.154 432 G CA 0.422 45.612 45.100 0.149 0.000 0.784 432 G HN 0.394 nan 8.290 nan 0.000 0.538 433 F N 2.381 122.405 119.950 0.123 0.000 2.102 433 F HA -0.078 4.440 4.527 -0.014 0.000 0.298 433 F C 2.341 178.235 175.800 0.157 0.000 1.105 433 F CA 1.706 59.798 58.000 0.153 0.000 1.239 433 F CB -0.269 38.830 39.000 0.166 0.000 0.991 433 F HN 0.045 nan 8.300 nan 0.000 0.474 434 N N 0.834 119.564 118.700 0.049 0.000 2.166 434 N HA -0.170 4.561 4.740 -0.015 0.000 0.186 434 N C 1.945 177.200 175.510 -0.425 0.000 1.019 434 N CA 1.478 54.521 53.050 -0.011 0.000 0.856 434 N CB -0.619 38.171 38.487 0.506 0.000 0.993 434 N HN 0.381 nan 8.380 nan 0.000 0.426 435 L N 1.089 121.915 121.223 -0.661 0.000 2.093 435 L HA 0.022 4.353 4.340 -0.015 0.000 0.208 435 L C 1.983 178.449 176.870 -0.673 0.000 1.085 435 L CA 1.205 55.417 54.840 -1.046 0.000 0.755 435 L CB -0.459 41.054 42.059 -0.909 0.000 0.904 435 L HN 0.067 nan 8.230 nan 0.000 0.435 436 L N -1.789 119.114 121.223 -0.534 0.000 2.156 436 L HA -0.156 4.175 4.340 -0.015 0.000 0.208 436 L C 2.341 178.761 176.870 -0.750 0.000 1.095 436 L CA 1.051 55.494 54.840 -0.662 0.000 0.770 436 L CB -0.484 41.079 42.059 -0.827 0.000 0.914 436 L HN 0.326 nan 8.230 nan 0.000 0.439 437 F N 0.112 119.649 119.950 -0.689 0.000 2.146 437 F HA -0.242 4.276 4.527 -0.014 0.000 0.298 437 F C 2.685 178.216 175.800 -0.450 0.000 1.096 437 F CA 1.784 59.477 58.000 -0.510 0.000 1.275 437 F CB -0.239 38.376 39.000 -0.641 0.000 1.008 437 F HN 0.102 nan 8.300 nan 0.000 0.480 438 H N 0.752 119.499 119.070 -0.538 0.000 2.289 438 H HA -0.194 4.353 4.556 -0.015 0.000 0.296 438 H C 2.110 177.019 175.328 -0.698 0.000 1.091 438 H CA 2.572 58.269 56.048 -0.584 0.000 1.274 438 H CB -0.717 28.669 29.762 -0.626 0.000 1.364 438 H HN 0.366 nan 8.280 nan 0.000 0.490 439 L N 0.221 120.896 121.223 -0.914 0.000 2.127 439 L HA -0.166 4.165 4.340 -0.015 0.000 0.211 439 L C 2.672 178.829 176.870 -1.188 0.000 1.089 439 L CA 1.848 56.088 54.840 -0.999 0.000 0.757 439 L CB -0.548 41.032 42.059 -0.797 0.000 0.899 439 L HN 0.509 nan 8.230 nan 0.000 0.434 440 E N 0.024 119.406 120.200 -1.363 0.000 2.047 440 E HA -0.195 4.146 4.350 -0.015 0.000 0.191 440 E C 1.930 178.130 176.600 -0.666 0.000 0.987 440 E CA 1.932 57.661 56.400 -1.118 0.000 0.799 440 E CB 0.058 29.301 29.700 -0.763 0.000 0.752 440 E HN 0.411 nan 8.360 nan 0.000 0.449 441 T N 2.652 116.772 114.554 -0.723 0.000 2.674 441 T HA -0.158 4.183 4.350 -0.015 0.000 0.265 441 T C 2.073 176.548 174.700 -0.376 0.000 1.039 441 T CA 1.804 63.602 62.100 -0.503 0.000 1.150 441 T CB -0.495 68.084 68.868 -0.482 0.000 0.864 441 T HN 0.491 nan 8.240 nan 0.000 0.427 442 I N -0.220 120.072 120.570 -0.462 0.000 2.454 442 I HA -0.005 4.156 4.170 -0.015 0.000 0.254 442 I C 1.728 177.633 176.117 -0.354 0.000 1.156 442 I CA 1.523 62.588 61.300 -0.391 0.000 1.433 442 I CB -0.608 37.087 38.000 -0.509 0.000 1.082 442 I HN 0.153 nan 8.210 nan 0.000 0.432 443 L N 1.757 122.736 121.223 -0.406 0.000 2.599 443 L HA 0.289 4.620 4.340 -0.015 0.000 0.230 443 L C 1.419 178.166 176.870 -0.204 0.000 1.141 443 L CA 0.689 55.310 54.840 -0.365 0.000 0.877 443 L CB -0.446 41.345 42.059 -0.447 0.000 1.009 443 L HN 0.692 nan 8.230 nan 0.000 0.447 444 G N -0.310 108.390 108.800 -0.167 0.000 2.131 444 G HA2 0.002 3.953 3.960 -0.015 0.000 0.201 444 G HA3 0.002 3.953 3.960 -0.015 0.000 0.201 444 G C 0.532 175.412 174.900 -0.034 0.000 1.000 444 G CA -0.080 44.971 45.100 -0.081 0.000 0.680 444 G HN 0.785 nan 8.290 nan 0.000 0.514 445 G N -0.752 108.006 108.800 -0.069 0.000 2.627 445 G HA2 -0.026 3.925 3.960 -0.015 0.000 0.214 445 G HA3 -0.026 3.925 3.960 -0.015 0.000 0.214 445 G C 0.660 175.619 174.900 0.099 0.000 1.331 445 G CA 0.529 45.620 45.100 -0.014 0.000 0.891 445 G HN 0.876 nan 8.290 nan 0.000 0.539 446 K N -0.018 120.466 120.400 0.141 0.000 2.057 446 K HA 0.119 4.430 4.320 -0.015 0.000 0.207 446 K C 3.009 179.748 176.600 0.232 0.000 1.049 446 K CA 2.059 58.483 56.287 0.229 0.000 0.931 446 K CB -0.295 32.318 32.500 0.188 0.000 0.714 446 K HN 0.836 nan 8.250 nan 0.000 0.440 447 A N 0.759 123.682 122.820 0.172 0.000 2.067 447 A HA -0.153 4.158 4.320 -0.015 0.000 0.219 447 A C 1.916 179.623 177.584 0.204 0.000 1.158 447 A CA 1.470 53.605 52.037 0.165 0.000 0.661 447 A CB -0.173 18.900 19.000 0.121 0.000 0.801 447 A HN 0.235 nan 8.150 nan 0.000 0.452 448 E N -1.977 118.357 120.200 0.224 0.000 2.276 448 E HA 0.107 4.448 4.350 -0.015 0.000 0.193 448 E C 1.293 178.164 176.600 0.452 0.000 0.983 448 E CA 0.430 56.998 56.400 0.279 0.000 0.861 448 E CB -0.160 29.637 29.700 0.162 0.000 0.817 448 E HN 0.493 nan 8.360 nan 0.000 0.485 449 F N 0.532 120.621 119.950 0.232 0.000 2.530 449 F HA 0.130 4.648 4.527 -0.016 0.000 0.292 449 F C 1.396 177.430 175.800 0.390 0.000 1.109 449 F CA 0.594 58.778 58.000 0.307 0.000 1.450 449 F CB 0.159 39.252 39.000 0.154 0.000 1.114 449 F HN -0.051 nan 8.300 nan 0.000 0.560 450 D N 0.944 121.547 120.400 0.338 0.000 2.149 450 D HA -0.131 4.500 4.640 -0.015 0.000 0.198 450 D C -0.654 175.728 176.300 0.137 0.000 0.990 450 D CA 1.440 55.571 54.000 0.218 0.000 0.839 450 D CB -1.398 39.522 40.800 0.200 0.000 0.948 450 D HN 0.216 nan 8.370 nan 0.000 0.460 451 P HA -0.083 nan 4.420 nan 0.000 0.218 451 P C 1.393 178.626 177.300 -0.111 0.000 1.149 451 P CA 0.613 63.819 63.100 0.176 0.000 0.817 451 P CB -0.141 31.780 31.700 0.368 0.000 0.785 452 F N 0.137 119.873 119.950 -0.357 0.000 2.259 452 F HA -0.068 4.449 4.527 -0.016 0.000 0.298 452 F C 1.830 177.378 175.800 -0.421 0.000 1.088 452 F CA 1.151 58.688 58.000 -0.771 0.000 1.358 452 F CB -0.640 38.087 39.000 -0.455 0.000 1.040 452 F HN -0.238 nan 8.300 nan 0.000 0.505 453 I N 0.309 120.660 120.570 -0.365 0.000 2.315 453 I HA -0.239 3.922 4.170 -0.015 0.000 0.248 453 I C 2.367 178.428 176.117 -0.094 0.000 1.117 453 I CA 1.194 62.354 61.300 -0.233 0.000 1.404 453 I CB -0.444 37.618 38.000 0.102 0.000 1.071 453 I HN 0.065 nan 8.210 nan 0.000 0.419 454 R N -0.594 119.883 120.500 -0.038 0.000 2.115 454 R HA -0.142 4.189 4.340 -0.015 0.000 0.226 454 R C 2.395 178.769 176.300 0.125 0.000 1.100 454 R CA 0.912 57.103 56.100 0.151 0.000 0.980 454 R CB -0.509 29.911 30.300 0.200 0.000 0.875 454 R HN 0.485 nan 8.270 nan 0.000 0.445 455 H N 0.200 119.139 119.070 -0.218 0.000 2.326 455 H HA -0.169 4.378 4.556 -0.015 0.000 0.301 455 H C 1.815 176.985 175.328 -0.263 0.000 1.081 455 H CA 1.766 57.661 56.048 -0.256 0.000 1.334 455 H CB -0.156 29.309 29.762 -0.494 0.000 1.385 455 H HN 0.219 nan 8.280 nan 0.000 0.504 456 Y N 0.792 120.740 120.300 -0.586 0.000 2.070 456 Y HA -0.277 4.264 4.550 -0.015 0.000 0.280 456 Y C 2.141 177.780 175.900 -0.434 0.000 1.148 456 Y CA 2.365 60.105 58.100 -0.602 0.000 1.125 456 Y CB -0.906 36.944 38.460 -1.016 0.000 0.975 456 Y HN 0.064 nan 8.280 nan 0.000 0.492 457 F N 0.484 120.315 119.950 -0.199 0.000 2.325 457 F HA -0.037 4.481 4.527 -0.014 0.000 0.299 457 F C 2.446 178.300 175.800 0.090 0.000 1.090 457 F CA 1.455 59.382 58.000 -0.122 0.000 1.392 457 F CB -0.423 38.519 39.000 -0.098 0.000 1.053 457 F HN -0.013 nan 8.300 nan 0.000 0.521 458 K N 0.507 121.057 120.400 0.251 0.000 2.167 458 K HA -0.156 4.155 4.320 -0.015 0.000 0.203 458 K C 2.175 178.631 176.600 -0.240 0.000 1.052 458 K CA 0.845 57.127 56.287 -0.008 0.000 0.956 458 K CB -0.008 32.422 32.500 -0.116 0.000 0.735 458 K HN 0.150 nan 8.250 nan 0.000 0.451 459 K N -0.412 119.723 120.400 -0.441 0.000 2.155 459 K HA -0.068 4.243 4.320 -0.015 0.000 0.203 459 K C 0.786 176.932 176.600 -0.756 0.000 1.052 459 K CA 1.106 56.987 56.287 -0.678 0.000 0.948 459 K CB 0.152 32.069 32.500 -0.973 0.000 0.728 459 K HN -0.004 nan 8.250 nan 0.000 0.448 460 F N 0.839 120.562 119.950 -0.378 0.000 2.654 460 F HA 0.384 4.902 4.527 -0.015 0.000 0.303 460 F C 0.262 175.944 175.800 -0.197 0.000 1.099 460 F CA -0.662 57.146 58.000 -0.321 0.000 1.270 460 F CB 0.335 39.043 39.000 -0.486 0.000 1.024 460 F HN -0.085 nan 8.300 nan 0.000 0.548 461 A N 1.194 123.999 122.820 -0.025 0.000 2.573 461 A HA 0.120 4.431 4.320 -0.015 0.000 0.250 461 A C 1.220 178.789 177.584 -0.025 0.000 1.049 461 A CA 0.420 52.465 52.037 0.013 0.000 0.767 461 A CB -0.423 18.568 19.000 -0.014 0.000 0.965 461 A HN 0.644 nan 8.150 nan 0.000 0.514 462 K N -0.179 120.217 120.400 -0.006 0.000 3.467 462 K HA -0.165 4.146 4.320 -0.015 0.000 0.309 462 K C -0.023 176.583 176.600 0.010 0.000 1.350 462 K CA 1.861 58.134 56.287 -0.024 0.000 0.934 462 K CB -1.452 31.002 32.500 -0.076 0.000 1.312 462 K HN 0.805 nan 8.250 nan 0.000 0.461 463 K N -0.193 120.231 120.400 0.039 0.000 2.349 463 K HA 0.560 4.871 4.320 -0.015 0.000 0.243 463 K C -0.620 176.005 176.600 0.042 0.000 1.058 463 K CA -0.763 55.559 56.287 0.057 0.000 0.871 463 K CB 1.968 34.535 32.500 0.112 0.000 1.337 463 K HN -0.018 nan 8.250 nan 0.000 0.469 464 S N 0.334 116.043 115.700 0.015 0.000 2.607 464 S HA 0.760 5.221 4.470 -0.015 0.000 0.303 464 S C -1.331 173.192 174.600 -0.128 0.000 1.086 464 S CA -0.891 57.273 58.200 -0.060 0.000 0.995 464 S CB 0.950 64.108 63.200 -0.071 0.000 1.084 464 S HN 0.458 nan 8.310 nan 0.000 0.507 465 L N -0.704 120.376 121.223 -0.237 0.000 2.600 465 L HA 0.881 5.212 4.340 -0.015 0.000 0.257 465 L C -1.412 175.303 176.870 -0.259 0.000 1.048 465 L CA -1.021 53.627 54.840 -0.320 0.000 0.869 465 L CB 0.911 42.510 42.059 -0.766 0.000 1.482 465 L HN 0.579 nan 8.230 nan 0.000 0.408 466 D N -2.007 118.257 120.400 -0.227 0.000 2.506 466 D HA 0.491 5.122 4.640 -0.015 0.000 0.254 466 D C 0.687 177.008 176.300 0.036 0.000 1.089 466 D CA -0.157 53.637 54.000 -0.343 0.000 1.050 466 D CB 0.565 41.010 40.800 -0.592 0.000 1.221 466 D HN 0.624 nan 8.370 nan 0.000 0.589 467 T N -0.420 114.381 114.554 0.411 0.000 2.597 467 T HA -0.191 4.150 4.350 -0.015 0.000 0.267 467 T C 1.540 176.425 174.700 0.308 0.000 1.053 467 T CA 1.648 64.051 62.100 0.506 0.000 1.165 467 T CB -0.691 68.450 68.868 0.455 0.000 0.863 467 T HN 0.405 nan 8.240 nan 0.000 0.427 468 F N 1.498 121.628 119.950 0.300 0.000 2.161 468 F HA -0.108 4.410 4.527 -0.015 0.000 0.300 468 F C 2.823 178.707 175.800 0.139 0.000 1.089 468 F CA 0.982 59.093 58.000 0.183 0.000 1.282 468 F CB -0.625 38.463 39.000 0.146 0.000 1.010 468 F HN 0.183 nan 8.300 nan 0.000 0.485 469 Q N -0.680 119.300 119.800 0.300 0.000 2.167 469 Q HA -0.183 4.148 4.340 -0.015 0.000 0.202 469 Q C 2.115 178.275 176.000 0.266 0.000 0.970 469 Q CA 1.370 57.304 55.803 0.219 0.000 0.855 469 Q CB -0.373 28.407 28.738 0.070 0.000 0.911 469 Q HN 0.536 nan 8.270 nan 0.000 0.438 470 F N 0.950 120.985 119.950 0.141 0.000 2.113 470 F HA -0.149 4.369 4.527 -0.015 0.000 0.297 470 F C 1.647 177.644 175.800 0.328 0.000 1.103 470 F CA 1.155 59.319 58.000 0.274 0.000 1.248 470 F CB -0.293 38.851 39.000 0.241 0.000 0.999 470 F HN -0.070 nan 8.300 nan 0.000 0.475 471 L N 0.270 121.398 121.223 -0.159 0.000 2.046 471 L HA -0.228 4.103 4.340 -0.015 0.000 0.208 471 L C 2.299 179.139 176.870 -0.050 0.000 1.077 471 L CA 1.579 56.204 54.840 -0.358 0.000 0.747 471 L CB -0.974 40.889 42.059 -0.326 0.000 0.896 471 L HN 0.129 nan 8.230 nan 0.000 0.432 472 D N -0.382 120.060 120.400 0.070 0.000 2.123 472 D HA -0.153 4.478 4.640 -0.015 0.000 0.196 472 D C 2.139 178.576 176.300 0.228 0.000 0.992 472 D CA 1.847 55.935 54.000 0.145 0.000 0.833 472 D CB -0.145 40.745 40.800 0.150 0.000 0.954 472 D HN 0.320 nan 8.370 nan 0.000 0.455 473 T N 1.238 115.962 114.554 0.284 0.000 2.867 473 T HA -0.111 4.230 4.350 -0.015 0.000 0.268 473 T C 1.874 176.845 174.700 0.452 0.000 1.057 473 T CA 0.290 62.637 62.100 0.412 0.000 1.136 473 T CB -0.137 69.073 68.868 0.571 0.000 0.874 473 T HN 0.027 nan 8.240 nan 0.000 0.466 474 L N 0.303 121.696 121.223 0.283 0.000 1.988 474 L HA 0.036 4.367 4.340 -0.015 0.000 0.207 474 L C 2.074 179.044 176.870 0.167 0.000 1.071 474 L CA 1.726 56.634 54.840 0.113 0.000 0.744 474 L CB -1.060 40.778 42.059 -0.368 0.000 0.893 474 L HN 0.188 nan 8.230 nan 0.000 0.433 475 Y N 0.430 120.767 120.300 0.061 0.000 2.207 475 Y HA -0.243 4.298 4.550 -0.015 0.000 0.287 475 Y C 2.655 178.629 175.900 0.122 0.000 1.156 475 Y CA 1.989 60.148 58.100 0.098 0.000 1.182 475 Y CB -0.261 38.222 38.460 0.039 0.000 0.979 475 Y HN 0.376 nan 8.280 nan 0.000 0.521 476 E N -1.279 119.086 120.200 0.275 0.000 2.204 476 E HA -0.193 4.148 4.350 -0.015 0.000 0.194 476 E C 1.534 178.193 176.600 0.098 0.000 0.989 476 E CA 0.795 57.303 56.400 0.179 0.000 0.824 476 E CB -0.222 29.588 29.700 0.182 0.000 0.756 476 E HN 0.450 nan 8.360 nan 0.000 0.477 477 F N -0.484 119.427 119.950 -0.064 0.000 2.664 477 F HA 0.033 4.552 4.527 -0.015 0.000 0.296 477 F C -0.161 175.354 175.800 -0.475 0.000 1.125 477 F CA 0.407 58.212 58.000 -0.325 0.000 1.444 477 F CB 0.547 39.340 39.000 -0.345 0.000 1.114 477 F HN -0.137 nan 8.300 nan 0.000 0.576 478 Y N 1.560 121.884 120.300 0.041 0.000 2.686 478 Y HA 0.316 4.857 4.550 -0.015 0.000 0.331 478 Y C -1.712 174.165 175.900 -0.038 0.000 0.996 478 Y CA -2.902 55.174 58.100 -0.041 0.000 1.293 478 Y CB 0.258 38.710 38.460 -0.012 0.000 1.092 478 Y HN -0.115 nan 8.280 nan 0.000 0.524 479 P HA -0.111 nan 4.420 nan 0.000 0.215 479 P C 0.743 178.075 177.300 0.052 0.000 1.157 479 P CA 1.486 64.611 63.100 0.042 0.000 0.856 479 P CB 0.654 32.349 31.700 -0.010 0.000 0.786 480 E N 0.594 120.820 120.200 0.044 0.000 2.051 480 E HA -0.132 4.209 4.350 -0.015 0.000 0.192 480 E C 1.620 178.242 176.600 0.036 0.000 0.991 480 E CA 0.912 57.334 56.400 0.036 0.000 0.799 480 E CB -0.358 29.360 29.700 0.032 0.000 0.748 480 E HN 0.217 nan 8.360 nan 0.000 0.449 481 K N 1.454 121.889 120.400 0.059 0.000 2.611 481 K HA -0.025 4.286 4.320 -0.015 0.000 0.193 481 K C 1.574 178.149 176.600 -0.043 0.000 1.026 481 K CA 0.169 56.439 56.287 -0.028 0.000 1.063 481 K CB -0.038 32.370 32.500 -0.152 0.000 0.839 481 K HN 0.104 nan 8.250 nan 0.000 0.505 482 K N 1.233 121.645 120.400 0.019 0.000 2.211 482 K HA -0.150 4.161 4.320 -0.015 0.000 0.204 482 K C 1.194 177.815 176.600 0.036 0.000 1.047 482 K CA 1.137 57.449 56.287 0.042 0.000 0.935 482 K CB 0.357 32.922 32.500 0.109 0.000 0.728 482 K HN 0.056 nan 8.250 nan 0.000 0.452 483 E N 0.582 120.788 120.200 0.010 0.000 2.051 483 E HA -0.128 4.213 4.350 -0.015 0.000 0.189 483 E C 1.995 178.587 176.600 -0.014 0.000 0.979 483 E CA 0.803 57.212 56.400 0.015 0.000 0.803 483 E CB -0.090 29.613 29.700 0.005 0.000 0.761 483 E HN 0.405 nan 8.360 nan 0.000 0.451 484 I N 0.743 121.274 120.570 -0.066 0.000 2.500 484 I HA -0.189 3.972 4.170 -0.015 0.000 0.252 484 I C 2.160 178.182 176.117 -0.158 0.000 1.142 484 I CA 0.334 61.568 61.300 -0.110 0.000 1.451 484 I CB 0.130 38.037 38.000 -0.154 0.000 1.093 484 I HN 0.022 nan 8.210 nan 0.000 0.430 485 L N 0.956 122.067 121.223 -0.187 0.000 2.081 485 L HA -0.298 4.033 4.340 -0.015 0.000 0.212 485 L C 1.979 178.807 176.870 -0.070 0.000 1.080 485 L CA 1.957 56.646 54.840 -0.250 0.000 0.754 485 L CB -1.097 40.713 42.059 -0.416 0.000 0.893 485 L HN 0.328 nan 8.230 nan 0.000 0.433 486 D N -1.501 118.936 120.400 0.062 0.000 2.269 486 D HA -0.092 4.539 4.640 -0.015 0.000 0.208 486 D C 2.056 178.431 176.300 0.126 0.000 0.963 486 D CA 1.164 55.321 54.000 0.261 0.000 0.864 486 D CB 0.346 41.295 40.800 0.248 0.000 0.936 486 D HN 0.538 nan 8.370 nan 0.000 0.505 487 S N -0.048 115.650 115.700 -0.003 0.000 2.515 487 S HA -0.034 4.427 4.470 -0.015 0.000 0.231 487 S C 1.069 175.611 174.600 -0.096 0.000 0.987 487 S CA -0.097 58.082 58.200 -0.035 0.000 0.936 487 S CB -0.201 62.970 63.200 -0.049 0.000 0.766 487 S HN -0.116 nan 8.310 nan 0.000 0.528 488 V N 3.332 123.092 119.914 -0.257 0.000 2.529 488 V HA 0.104 4.215 4.120 -0.015 0.000 0.292 488 V C 0.605 176.426 176.094 -0.454 0.000 1.028 488 V CA -0.090 61.900 62.300 -0.517 0.000 1.074 488 V CB 0.502 31.523 31.823 -1.337 0.000 0.958 488 V HN 0.357 nan 8.190 nan 0.000 0.481 489 D N 4.296 124.610 120.400 -0.143 0.000 2.688 489 D HA 0.082 4.713 4.640 -0.015 0.000 0.228 489 D C 0.895 177.280 176.300 0.142 0.000 1.116 489 D CA -0.187 53.819 54.000 0.010 0.000 1.023 489 D CB -0.152 40.654 40.800 0.010 0.000 1.100 489 D HN 0.572 nan 8.370 nan 0.000 0.487 490 W N 1.034 122.482 121.300 0.247 0.000 2.290 490 W HA -0.206 4.445 4.660 -0.015 0.000 0.311 490 W C 2.106 178.756 176.519 0.218 0.000 1.238 490 W CA 0.545 58.026 57.345 0.226 0.000 1.255 490 W CB -0.120 29.452 29.460 0.187 0.000 1.145 490 W HN 0.299 nan 8.180 nan 0.000 0.506 491 E N -0.421 120.014 120.200 0.392 0.000 2.118 491 E HA -0.168 4.173 4.350 -0.015 0.000 0.195 491 E C 1.946 178.667 176.600 0.202 0.000 0.992 491 E CA 2.038 58.623 56.400 0.308 0.000 0.804 491 E CB -0.504 29.319 29.700 0.204 0.000 0.741 491 E HN 0.322 nan 8.360 nan 0.000 0.458 492 T N -0.522 114.083 114.554 0.086 0.000 2.937 492 T HA -0.077 4.264 4.350 -0.015 0.000 0.260 492 T C 1.446 176.075 174.700 -0.119 0.000 1.051 492 T CA 0.521 62.581 62.100 -0.066 0.000 1.141 492 T CB -0.269 68.474 68.868 -0.209 0.000 0.879 492 T HN 0.286 nan 8.240 nan 0.000 0.459 493 W N 1.317 122.588 121.300 -0.047 0.000 2.378 493 W HA 0.109 4.759 4.660 -0.016 0.000 0.313 493 W C 2.034 178.436 176.519 -0.194 0.000 1.197 493 W CA 0.436 57.708 57.345 -0.121 0.000 1.304 493 W CB -0.328 29.051 29.460 -0.136 0.000 1.148 493 W HN 0.140 nan 8.180 nan 0.000 0.494 494 L N -2.045 119.225 121.223 0.077 0.000 2.131 494 L HA -0.116 4.215 4.340 -0.015 0.000 0.206 494 L C 1.321 177.897 176.870 -0.489 0.000 1.087 494 L CA 1.141 55.787 54.840 -0.323 0.000 0.767 494 L CB -0.507 41.315 42.059 -0.395 0.000 0.917 494 L HN 0.074 nan 8.230 nan 0.000 0.441 495 Y N -1.714 118.605 120.300 0.031 0.000 2.471 495 Y HA 0.231 4.773 4.550 -0.014 0.000 0.249 495 Y C 0.643 176.546 175.900 0.004 0.000 1.116 495 Y CA -0.649 57.465 58.100 0.024 0.000 1.240 495 Y CB 0.560 39.052 38.460 0.052 0.000 1.251 495 Y HN -0.196 nan 8.280 nan 0.000 0.527 496 K N 2.737 123.188 120.400 0.085 0.000 2.172 496 K HA 0.306 4.617 4.320 -0.015 0.000 0.276 496 K C -2.600 173.991 176.600 -0.016 0.000 1.013 496 K CA -1.938 54.362 56.287 0.020 0.000 0.913 496 K CB 0.813 33.296 32.500 -0.028 0.000 1.055 496 K HN -0.013 nan 8.250 nan 0.000 0.461 497 P HA 0.121 nan 4.420 nan 0.000 0.286 497 P C 0.284 177.554 177.300 -0.050 0.000 1.293 497 P CA 0.018 63.105 63.100 -0.021 0.000 0.770 497 P CB 0.321 32.016 31.700 -0.009 0.000 1.206 498 G N -0.946 107.824 108.800 -0.050 0.000 2.804 498 G HA2 -0.157 3.794 3.960 -0.015 0.000 0.230 498 G HA3 -0.157 3.794 3.960 -0.015 0.000 0.230 498 G C -0.213 174.615 174.900 -0.120 0.000 1.386 498 G CA -0.616 44.440 45.100 -0.074 0.000 0.875 498 G HN 0.503 nan 8.290 nan 0.000 0.557 499 M N 1.875 121.396 119.600 -0.133 0.000 2.251 499 M HA 0.202 4.673 4.480 -0.015 0.000 0.343 499 M C -1.077 175.129 176.300 -0.156 0.000 1.245 499 M CA -1.242 53.953 55.300 -0.174 0.000 1.061 499 M CB -0.435 32.113 32.600 -0.086 0.000 1.723 499 M HN 0.561 nan 8.290 nan 0.000 0.449 500 P HA 0.366 nan 4.420 nan 0.000 0.277 500 P C -2.649 174.455 177.300 -0.327 0.000 1.271 500 P CA -1.369 61.412 63.100 -0.532 0.000 0.795 500 P CB -0.847 30.439 31.700 -0.690 0.000 1.101 501 P HA 0.045 nan 4.420 nan 0.000 0.261 501 P C 0.197 177.399 177.300 -0.163 0.000 1.173 501 P CA 0.601 63.487 63.100 -0.357 0.000 0.760 501 P CB 0.159 31.616 31.700 -0.404 0.000 0.783 502 R N 4.807 125.157 120.500 -0.251 0.000 2.347 502 R HA 0.267 4.598 4.340 -0.015 0.000 0.304 502 R C -2.143 173.801 176.300 -0.592 0.000 1.072 502 R CA -1.371 54.380 56.100 -0.581 0.000 0.980 502 R CB 0.054 30.023 30.300 -0.552 0.000 0.986 502 R HN 0.370 nan 8.270 nan 0.000 0.448 503 P HA 0.253 nan 4.420 nan 0.000 0.287 503 P C -1.456 175.284 177.300 -0.932 0.000 1.270 503 P CA -0.677 61.937 63.100 -0.810 0.000 0.844 503 P CB 0.886 32.090 31.700 -0.827 0.000 1.068 504 H N 0.764 119.576 119.070 -0.431 0.000 2.761 504 H HA 0.388 4.934 4.556 -0.016 0.000 0.284 504 H C -0.545 174.658 175.328 -0.209 0.000 1.105 504 H CA -0.203 55.684 56.048 -0.267 0.000 1.352 504 H CB -0.272 29.424 29.762 -0.110 0.000 1.423 504 H HN 0.217 nan 8.280 nan 0.000 0.464 505 F N 1.931 121.998 119.950 0.196 0.000 2.458 505 F HA 0.310 4.829 4.527 -0.014 0.000 0.330 505 F C 0.633 176.497 175.800 0.106 0.000 1.082 505 F CA -1.337 56.870 58.000 0.345 0.000 0.995 505 F CB 0.843 40.007 39.000 0.273 0.000 1.170 505 F HN 0.399 nan 8.300 nan 0.000 0.478 506 I N 2.031 122.587 120.570 -0.024 0.000 2.828 506 I HA -0.066 4.095 4.170 -0.015 0.000 0.292 506 I C 1.186 177.354 176.117 0.085 0.000 1.206 506 I CA 0.510 61.746 61.300 -0.107 0.000 1.420 506 I CB 0.250 38.047 38.000 -0.338 0.000 1.368 506 I HN 0.758 nan 8.210 nan 0.000 0.556 507 T N 1.856 116.457 114.554 0.080 0.000 3.086 507 T HA 0.222 4.563 4.350 -0.015 0.000 0.250 507 T C 1.607 176.315 174.700 0.014 0.000 1.074 507 T CA 0.205 62.367 62.100 0.102 0.000 0.988 507 T CB 0.442 69.392 68.868 0.135 0.000 0.988 507 T HN 0.686 nan 8.240 nan 0.000 0.530 508 A N 3.023 125.828 122.820 -0.024 0.000 1.873 508 A HA -0.101 4.210 4.320 -0.015 0.000 0.219 508 A C 2.245 179.715 177.584 -0.190 0.000 1.269 508 A CA 2.061 54.052 52.037 -0.078 0.000 0.671 508 A CB -1.239 17.720 19.000 -0.068 0.000 0.842 508 A HN 0.570 nan 8.150 nan 0.000 0.460 509 L N -1.427 119.613 121.223 -0.305 0.000 2.187 509 L HA -0.199 4.132 4.340 -0.015 0.000 0.213 509 L C 2.883 179.215 176.870 -0.898 0.000 1.100 509 L CA 1.099 55.551 54.840 -0.646 0.000 0.765 509 L CB -0.651 40.880 42.059 -0.879 0.000 0.904 509 L HN 0.547 nan 8.230 nan 0.000 0.437 510 A N -0.727 121.745 122.820 -0.580 0.000 1.984 510 A HA -0.096 4.215 4.320 -0.015 0.000 0.214 510 A C 1.839 179.070 177.584 -0.589 0.000 1.173 510 A CA 0.748 52.448 52.037 -0.562 0.000 0.673 510 A CB -0.155 18.768 19.000 -0.129 0.000 0.830 510 A HN 0.250 nan 8.150 nan 0.000 0.453 511 D N 1.012 121.274 120.400 -0.229 0.000 2.097 511 D HA -0.150 4.481 4.640 -0.015 0.000 0.195 511 D C 1.433 177.698 176.300 -0.058 0.000 0.989 511 D CA 1.387 55.370 54.000 -0.029 0.000 0.827 511 D CB -0.383 40.436 40.800 0.031 0.000 0.966 511 D HN 0.355 nan 8.370 nan 0.000 0.456 512 N N 0.359 118.970 118.700 -0.148 0.000 2.149 512 N HA -0.116 4.615 4.740 -0.015 0.000 0.188 512 N C 1.993 177.477 175.510 -0.043 0.000 1.019 512 N CA 0.468 53.481 53.050 -0.061 0.000 0.857 512 N CB -0.544 37.900 38.487 -0.073 0.000 0.997 512 N HN 0.129 nan 8.380 nan 0.000 0.426 513 V N 0.510 120.214 119.914 -0.348 0.000 2.323 513 V HA -0.195 3.916 4.120 -0.015 0.000 0.244 513 V C 1.816 177.974 176.094 0.107 0.000 1.041 513 V CA 1.299 63.460 62.300 -0.232 0.000 1.025 513 V CB -0.712 30.820 31.823 -0.486 0.000 0.656 513 V HN 0.154 nan 8.190 nan 0.000 0.451 514 Y N 0.809 121.145 120.300 0.060 0.000 2.181 514 Y HA -0.206 4.337 4.550 -0.011 0.000 0.288 514 Y C 2.650 178.662 175.900 0.187 0.000 1.146 514 Y CA 1.102 59.275 58.100 0.121 0.000 1.164 514 Y CB -1.139 37.390 38.460 0.115 0.000 0.982 514 Y HN 0.302 nan 8.280 nan 0.000 0.515 515 Q N -0.515 119.469 119.800 0.307 0.000 2.002 515 Q HA -0.209 4.122 4.340 -0.015 0.000 0.204 515 Q C 2.316 178.499 176.000 0.306 0.000 0.988 515 Q CA 1.835 57.790 55.803 0.254 0.000 0.843 515 Q CB -0.648 28.200 28.738 0.183 0.000 0.908 515 Q HN 0.353 nan 8.270 nan 0.000 0.420 516 L N 0.447 121.882 121.223 0.354 0.000 2.079 516 L HA -0.187 4.144 4.340 -0.015 0.000 0.210 516 L C 2.075 179.355 176.870 0.683 0.000 1.081 516 L CA 2.141 57.269 54.840 0.479 0.000 0.752 516 L CB -0.808 41.504 42.059 0.420 0.000 0.896 516 L HN 0.208 nan 8.230 nan 0.000 0.433 517 A N -1.198 121.994 122.820 0.621 0.000 1.873 517 A HA -0.197 4.114 4.320 -0.015 0.000 0.215 517 A C 2.085 179.889 177.584 0.367 0.000 1.186 517 A CA 1.698 54.017 52.037 0.471 0.000 0.616 517 A CB -0.788 18.375 19.000 0.272 0.000 0.823 517 A HN 0.480 nan 8.150 nan 0.000 0.442 518 D N -0.451 120.131 120.400 0.303 0.000 2.123 518 D HA -0.168 4.463 4.640 -0.015 0.000 0.196 518 D C 1.901 178.326 176.300 0.210 0.000 0.992 518 D CA 1.539 55.656 54.000 0.195 0.000 0.833 518 D CB -0.208 40.691 40.800 0.165 0.000 0.954 518 D HN 0.572 nan 8.370 nan 0.000 0.455 519 K N -0.438 120.136 120.400 0.290 0.000 2.103 519 K HA -0.186 4.125 4.320 -0.015 0.000 0.207 519 K C 2.196 179.005 176.600 0.349 0.000 1.048 519 K CA 1.208 57.669 56.287 0.289 0.000 0.930 519 K CB -0.218 32.479 32.500 0.328 0.000 0.716 519 K HN 0.156 nan 8.250 nan 0.000 0.444 520 W N 0.233 121.732 121.300 0.333 0.000 2.358 520 W HA -0.170 4.476 4.660 -0.025 0.000 0.303 520 W C 2.046 178.701 176.519 0.227 0.000 1.208 520 W CA 0.750 58.267 57.345 0.285 0.000 1.274 520 W CB -0.343 29.239 29.460 0.203 0.000 1.138 520 W HN -0.127 nan 8.180 nan 0.000 0.515 521 V N 0.188 120.231 119.914 0.215 0.000 2.295 521 V HA -0.316 3.795 4.120 -0.015 0.000 0.246 521 V C 2.111 178.060 176.094 -0.243 0.000 1.049 521 V CA 2.335 64.404 62.300 -0.384 0.000 1.024 521 V CB -0.935 30.517 31.823 -0.619 0.000 0.648 521 V HN 0.141 nan 8.190 nan 0.000 0.447 522 E N -0.080 120.086 120.200 -0.057 0.000 2.058 522 E HA -0.244 4.097 4.350 -0.015 0.000 0.194 522 E C 2.061 178.673 176.600 0.020 0.000 0.997 522 E CA 1.712 58.106 56.400 -0.011 0.000 0.801 522 E CB -0.242 29.502 29.700 0.073 0.000 0.746 522 E HN 0.333 nan 8.360 nan 0.000 0.450 523 M N 0.080 119.776 119.600 0.160 0.000 2.349 523 M HA 0.145 4.616 4.480 -0.015 0.000 0.266 523 M C 2.230 178.704 176.300 0.290 0.000 1.076 523 M CA 1.225 56.642 55.300 0.196 0.000 1.126 523 M CB -1.141 31.642 32.600 0.305 0.000 1.392 523 M HN 0.300 nan 8.290 nan 0.000 0.440 524 A N 0.251 123.304 122.820 0.387 0.000 1.986 524 A HA -0.239 4.072 4.320 -0.015 0.000 0.220 524 A C 2.096 179.852 177.584 0.288 0.000 1.171 524 A CA 1.839 54.119 52.037 0.405 0.000 0.640 524 A CB -0.579 18.383 19.000 -0.064 0.000 0.811 524 A HN 0.655 nan 8.150 nan 0.000 0.451 525 Q N -2.124 117.726 119.800 0.083 0.000 2.297 525 Q HA 0.006 4.337 4.340 -0.015 0.000 0.203 525 Q C 1.864 177.860 176.000 -0.006 0.000 0.931 525 Q CA 0.972 56.836 55.803 0.101 0.000 0.885 525 Q CB -0.002 28.678 28.738 -0.097 0.000 0.991 525 Q HN 0.780 nan 8.270 nan 0.000 0.498 526 H N -0.372 118.779 119.070 0.134 0.000 2.399 526 H HA 0.104 4.650 4.556 -0.016 0.000 0.300 526 H C 0.178 175.508 175.328 0.004 0.000 1.048 526 H CA 0.271 56.352 56.048 0.055 0.000 1.370 526 H CB 0.220 29.986 29.762 0.007 0.000 1.428 526 H HN 0.083 nan 8.280 nan 0.000 0.534 527 L N 2.063 123.289 121.223 0.005 0.000 2.331 527 L HA 0.119 4.450 4.340 -0.015 0.000 0.278 527 L C 1.181 178.043 176.870 -0.012 0.000 1.106 527 L CA 0.531 55.239 54.840 -0.221 0.000 0.824 527 L CB 1.007 42.565 42.059 -0.834 0.000 1.142 527 L HN 0.038 nan 8.230 nan 0.000 0.443 528 K N 0.861 121.302 120.400 0.069 0.000 2.374 528 K HA 0.222 4.533 4.320 -0.015 0.000 0.202 528 K C -0.049 176.697 176.600 0.244 0.000 1.040 528 K CA 0.050 56.461 56.287 0.206 0.000 1.085 528 K CB 0.760 33.340 32.500 0.134 0.000 0.873 528 K HN 0.552 nan 8.250 nan 0.000 0.539 529 T N 0.039 114.727 114.554 0.223 0.000 2.863 529 T HA 0.116 4.457 4.350 -0.015 0.000 0.285 529 T C 0.989 175.932 174.700 0.405 0.000 1.009 529 T CA -0.433 61.811 62.100 0.241 0.000 0.989 529 T CB 1.990 70.933 68.868 0.124 0.000 1.004 529 T HN -0.054 nan 8.240 nan 0.000 0.455 530 T N 2.282 117.029 114.554 0.321 0.000 2.720 530 T HA -0.125 4.216 4.350 -0.015 0.000 0.268 530 T C 1.609 176.469 174.700 0.266 0.000 1.037 530 T CA 1.422 63.705 62.100 0.305 0.000 1.144 530 T CB -0.089 68.877 68.868 0.164 0.000 0.864 530 T HN 0.541 nan 8.240 nan 0.000 0.444 531 E N 0.850 121.154 120.200 0.173 0.000 2.274 531 E HA -0.035 4.306 4.350 -0.015 0.000 0.194 531 E C 1.924 178.581 176.600 0.095 0.000 0.996 531 E CA 0.591 57.059 56.400 0.115 0.000 0.840 531 E CB -0.207 29.535 29.700 0.071 0.000 0.772 531 E HN 0.391 nan 8.360 nan 0.000 0.491 532 D N -0.471 119.985 120.400 0.094 0.000 2.103 532 D HA -0.096 4.535 4.640 -0.015 0.000 0.199 532 D C 1.382 177.660 176.300 -0.037 0.000 0.978 532 D CA 0.821 54.808 54.000 -0.022 0.000 0.829 532 D CB -0.239 40.497 40.800 -0.105 0.000 0.981 532 D HN 0.154 nan 8.370 nan 0.000 0.464 533 F N 0.934 120.955 119.950 0.119 0.000 2.234 533 F HA 0.008 4.524 4.527 -0.018 0.000 0.299 533 F C 2.249 178.161 175.800 0.186 0.000 1.087 533 F CA 0.803 58.924 58.000 0.201 0.000 1.340 533 F CB -0.076 39.097 39.000 0.288 0.000 1.031 533 F HN -0.170 nan 8.300 nan 0.000 0.500 534 R N -1.350 119.323 120.500 0.289 0.000 2.339 534 R HA -0.029 4.302 4.340 -0.015 0.000 0.199 534 R C 1.956 178.307 176.300 0.085 0.000 1.018 534 R CA 0.896 57.103 56.100 0.178 0.000 1.036 534 R CB -0.193 30.180 30.300 0.121 0.000 0.899 534 R HN 0.094 nan 8.270 nan 0.000 0.473 535 S N -0.486 115.229 115.700 0.025 0.000 2.554 535 S HA 0.019 4.480 4.470 -0.015 0.000 0.227 535 S C 1.354 175.867 174.600 -0.145 0.000 1.050 535 S CA -0.020 58.152 58.200 -0.047 0.000 0.927 535 S CB 0.421 63.589 63.200 -0.052 0.000 0.859 535 S HN 0.136 nan 8.310 nan 0.000 0.494 536 E N -0.051 119.990 120.200 -0.264 0.000 2.340 536 E HA 0.297 4.638 4.350 -0.015 0.000 0.194 536 E C -0.727 175.409 176.600 -0.772 0.000 0.996 536 E CA 0.470 56.515 56.400 -0.591 0.000 0.869 536 E CB 0.220 29.388 29.700 -0.887 0.000 0.835 536 E HN 0.411 nan 8.360 nan 0.000 0.493 537 F N 0.317 120.216 119.950 -0.084 0.000 2.532 537 F HA 0.503 5.017 4.527 -0.022 0.000 0.321 537 F C 0.233 176.048 175.800 0.025 0.000 1.089 537 F CA -1.003 56.982 58.000 -0.025 0.000 0.926 537 F CB 1.477 40.445 39.000 -0.054 0.000 1.168 537 F HN -0.237 nan 8.300 nan 0.000 0.459 538 N N 0.395 119.254 118.700 0.266 0.000 2.357 538 N HA 0.483 5.214 4.740 -0.015 0.000 0.284 538 N C 0.235 175.877 175.510 0.218 0.000 1.236 538 N CA -0.216 52.930 53.050 0.160 0.000 0.774 538 N CB 2.431 40.966 38.487 0.080 0.000 1.534 538 N HN 0.661 nan 8.380 nan 0.000 0.478 539 A N 1.267 124.169 122.820 0.136 0.000 2.125 539 A HA -0.104 4.207 4.320 -0.015 0.000 0.219 539 A C 1.799 179.404 177.584 0.035 0.000 1.156 539 A CA 1.289 53.406 52.037 0.134 0.000 0.671 539 A CB -0.755 18.284 19.000 0.065 0.000 0.794 539 A HN 0.679 nan 8.150 nan 0.000 0.459 540 I N -2.097 118.482 120.570 0.015 0.000 2.676 540 I HA -0.089 4.072 4.170 -0.015 0.000 0.259 540 I C 1.272 177.311 176.117 -0.130 0.000 1.194 540 I CA 1.268 62.538 61.300 -0.050 0.000 1.473 540 I CB -0.638 37.345 38.000 -0.028 0.000 1.096 540 I HN -0.021 nan 8.210 nan 0.000 0.443 541 D N 2.328 122.677 120.400 -0.086 0.000 2.106 541 D HA -0.181 4.450 4.640 -0.015 0.000 0.191 541 D C 2.047 177.901 176.300 -0.743 0.000 0.997 541 D CA 2.491 56.364 54.000 -0.213 0.000 0.834 541 D CB -0.252 40.584 40.800 0.061 0.000 0.956 541 D HN 0.716 nan 8.370 nan 0.000 0.448 542 I N -2.185 117.841 120.570 -0.907 0.000 3.928 542 I HA 0.203 4.364 4.170 -0.015 0.000 0.335 542 I C 1.737 177.395 176.117 -0.765 0.000 1.325 542 I CA -0.258 60.164 61.300 -1.464 0.000 1.107 542 I CB 0.223 37.421 38.000 -1.336 0.000 1.014 542 I HN -0.185 nan 8.210 nan 0.000 0.400 543 K N 1.825 121.956 120.400 -0.448 0.000 2.020 543 K HA -0.221 4.090 4.320 -0.015 0.000 0.212 543 K C 0.988 177.501 176.600 -0.144 0.000 1.050 543 K CA 2.203 58.359 56.287 -0.220 0.000 0.929 543 K CB -0.075 32.343 32.500 -0.137 0.000 0.714 543 K HN 0.333 nan 8.250 nan 0.000 0.443 544 D N -0.030 120.297 120.400 -0.123 0.000 2.325 544 D HA 0.026 4.657 4.640 -0.015 0.000 0.234 544 D C -0.454 175.930 176.300 0.139 0.000 1.122 544 D CA 0.158 54.157 54.000 -0.002 0.000 0.850 544 D CB -0.056 40.749 40.800 0.008 0.000 0.921 544 D HN 0.007 nan 8.370 nan 0.000 0.513 545 F N 1.825 121.667 119.950 -0.180 0.000 2.399 545 F HA 0.159 4.686 4.527 0.001 0.000 0.342 545 F C 1.267 176.971 175.800 -0.160 0.000 1.106 545 F CA -1.512 56.364 58.000 -0.208 0.000 1.196 545 F CB 0.246 39.087 39.000 -0.264 0.000 1.163 545 F HN -0.075 nan 8.300 nan 0.000 0.547 546 N N -0.522 118.173 118.700 -0.007 0.000 2.448 546 N HA 0.190 4.921 4.740 -0.015 0.000 0.274 546 N C 0.602 176.115 175.510 0.004 0.000 1.239 546 N CA -0.385 52.645 53.050 -0.033 0.000 0.982 546 N CB 0.037 38.466 38.487 -0.096 0.000 1.199 546 N HN 0.311 nan 8.380 nan 0.000 0.576 547 S N -0.336 115.371 115.700 0.012 0.000 2.374 547 S HA -0.173 4.288 4.470 -0.015 0.000 0.227 547 S C 1.232 175.862 174.600 0.050 0.000 1.037 547 S CA 1.288 59.509 58.200 0.034 0.000 1.024 547 S CB -0.606 62.622 63.200 0.046 0.000 0.861 547 S HN 0.605 nan 8.310 nan 0.000 0.456 548 N N 1.315 120.055 118.700 0.067 0.000 2.381 548 N HA -0.026 4.705 4.740 -0.015 0.000 0.182 548 N C 1.737 177.360 175.510 0.187 0.000 1.025 548 N CA 0.722 53.834 53.050 0.104 0.000 0.888 548 N CB -0.279 38.265 38.487 0.095 0.000 0.965 548 N HN 0.568 nan 8.380 nan 0.000 0.438 549 Q N -0.020 119.836 119.800 0.092 0.000 2.137 549 Q HA 0.111 4.442 4.340 -0.015 0.000 0.198 549 Q C 1.982 177.943 176.000 -0.065 0.000 0.960 549 Q CA 0.540 56.249 55.803 -0.156 0.000 0.847 549 Q CB 0.069 28.410 28.738 -0.661 0.000 0.915 549 Q HN 0.331 nan 8.270 nan 0.000 0.448 550 L N -0.114 121.136 121.223 0.044 0.000 2.046 550 L HA -0.172 4.159 4.340 -0.015 0.000 0.208 550 L C 2.289 179.223 176.870 0.106 0.000 1.077 550 L CA 0.752 55.658 54.840 0.109 0.000 0.747 550 L CB -0.399 41.688 42.059 0.047 0.000 0.896 550 L HN 0.083 nan 8.230 nan 0.000 0.432 551 V N -0.263 119.692 119.914 0.068 0.000 2.343 551 V HA -0.271 3.840 4.120 -0.015 0.000 0.247 551 V C 2.315 178.435 176.094 0.045 0.000 1.051 551 V CA 1.561 63.895 62.300 0.056 0.000 1.036 551 V CB -0.384 31.478 31.823 0.065 0.000 0.654 551 V HN 0.308 nan 8.190 nan 0.000 0.451 552 L N -0.442 120.816 121.223 0.060 0.000 2.044 552 L HA -0.069 4.262 4.340 -0.015 0.000 0.205 552 L C 2.172 179.070 176.870 0.046 0.000 1.075 552 L CA 1.827 56.698 54.840 0.052 0.000 0.747 552 L CB -0.873 41.231 42.059 0.076 0.000 0.903 552 L HN 0.330 nan 8.230 nan 0.000 0.435 553 F N 0.163 120.056 119.950 -0.094 0.000 2.025 553 F HA -0.295 4.233 4.527 0.001 0.000 0.297 553 F C 2.154 177.853 175.800 -0.168 0.000 1.132 553 F CA 2.239 60.178 58.000 -0.102 0.000 1.191 553 F CB -0.684 38.271 39.000 -0.076 0.000 0.963 553 F HN 0.049 nan 8.300 nan 0.000 0.481 554 L N -0.068 120.955 121.223 -0.332 0.000 2.127 554 L HA -0.224 4.107 4.340 -0.015 0.000 0.211 554 L C 2.434 179.076 176.870 -0.380 0.000 1.089 554 L CA 1.848 56.371 54.840 -0.529 0.000 0.757 554 L CB -0.727 41.170 42.059 -0.271 0.000 0.899 554 L HN 0.286 nan 8.230 nan 0.000 0.434 555 E N -0.256 119.831 120.200 -0.189 0.000 2.072 555 E HA -0.150 4.191 4.350 -0.015 0.000 0.190 555 E C 2.004 178.532 176.600 -0.119 0.000 0.982 555 E CA 1.638 57.970 56.400 -0.112 0.000 0.803 555 E CB -0.020 29.672 29.700 -0.013 0.000 0.755 555 E HN 0.239 nan 8.360 nan 0.000 0.453 556 T N 1.342 115.842 114.554 -0.091 0.000 2.720 556 T HA -0.142 4.199 4.350 -0.015 0.000 0.268 556 T C 1.797 176.455 174.700 -0.071 0.000 1.037 556 T CA 1.384 63.480 62.100 -0.008 0.000 1.144 556 T CB -0.334 68.610 68.868 0.126 0.000 0.864 556 T HN 0.127 nan 8.240 nan 0.000 0.444 557 L N 1.225 122.292 121.223 -0.259 0.000 1.997 557 L HA -0.209 4.122 4.340 -0.015 0.000 0.216 557 L C 2.992 179.950 176.870 0.147 0.000 1.074 557 L CA 2.004 56.751 54.840 -0.155 0.000 0.763 557 L CB -1.456 40.158 42.059 -0.742 0.000 0.890 557 L HN 0.454 nan 8.230 nan 0.000 0.434 558 T N -3.625 110.867 114.554 -0.103 0.000 3.051 558 T HA -0.165 4.176 4.350 -0.015 0.000 0.269 558 T C 1.356 175.923 174.700 -0.222 0.000 1.127 558 T CA 0.683 62.592 62.100 -0.318 0.000 1.107 558 T CB -0.211 68.048 68.868 -1.016 0.000 0.898 558 T HN 0.428 nan 8.240 nan 0.000 0.517 559 Q N 1.098 120.862 119.800 -0.060 0.000 2.217 559 Q HA 0.247 4.578 4.340 -0.015 0.000 0.226 559 Q C -0.222 175.807 176.000 0.048 0.000 0.875 559 Q CA -0.547 55.263 55.803 0.010 0.000 0.974 559 Q CB 0.043 28.794 28.738 0.021 0.000 1.079 559 Q HN 0.371 nan 8.270 nan 0.000 0.463 560 N N 0.805 119.566 118.700 0.103 0.000 2.710 560 N HA -0.217 4.514 4.740 -0.015 0.000 0.249 560 N C 0.199 175.629 175.510 -0.133 0.000 1.059 560 N CA 1.455 54.480 53.050 -0.040 0.000 0.720 560 N CB -1.433 37.041 38.487 -0.023 0.000 0.983 560 N HN 0.664 nan 8.380 nan 0.000 0.544 561 G N -1.126 107.666 108.800 -0.013 0.000 2.483 561 G HA2 -0.116 3.835 3.960 -0.015 0.000 0.521 561 G HA3 -0.116 3.835 3.960 -0.015 0.000 0.521 561 G C -1.277 173.666 174.900 0.072 0.000 1.278 561 G CA -0.169 44.941 45.100 0.017 0.000 0.965 561 G HN 0.589 nan 8.290 nan 0.000 0.504 562 H N 0.376 119.421 119.070 -0.042 0.000 2.538 562 H HA 0.656 5.204 4.556 -0.014 0.000 0.239 562 H C -0.837 174.394 175.328 -0.162 0.000 1.401 562 H CA 0.479 56.428 56.048 -0.166 0.000 1.499 562 H CB 0.374 29.916 29.762 -0.367 0.000 1.624 562 H HN 0.884 nan 8.280 nan 0.000 0.524 563 S N 2.252 117.777 115.700 -0.292 0.000 2.552 563 S HA 0.101 4.562 4.470 -0.015 0.000 0.272 563 S C 0.576 175.075 174.600 -0.169 0.000 1.150 563 S CA -0.666 57.409 58.200 -0.208 0.000 0.849 563 S CB 1.589 64.746 63.200 -0.071 0.000 1.113 563 S HN 0.666 nan 8.310 nan 0.000 0.458 564 N N 1.672 120.294 118.700 -0.130 0.000 2.069 564 N HA -0.020 4.711 4.740 -0.015 0.000 0.191 564 N C 0.208 175.684 175.510 -0.056 0.000 1.031 564 N CA 1.230 54.228 53.050 -0.086 0.000 0.852 564 N CB -0.141 38.310 38.487 -0.060 0.000 1.018 564 N HN 0.542 nan 8.380 nan 0.000 0.423 565 K N 1.607 121.980 120.400 -0.044 0.000 3.000 565 K HA 0.080 4.391 4.320 -0.015 0.000 0.265 565 K C -0.360 176.218 176.600 -0.035 0.000 1.260 565 K CA 0.209 56.480 56.287 -0.026 0.000 1.209 565 K CB 0.013 32.508 32.500 -0.010 0.000 1.484 565 K HN 0.101 nan 8.250 nan 0.000 0.283 566 K N 1.848 122.220 120.400 -0.047 0.000 2.211 566 K HA 0.209 4.520 4.320 -0.015 0.000 0.275 566 K C -2.450 174.132 176.600 -0.031 0.000 1.024 566 K CA -2.089 54.160 56.287 -0.062 0.000 0.887 566 K CB 0.918 33.376 32.500 -0.070 0.000 1.084 566 K HN -0.023 nan 8.250 nan 0.000 0.463 567 P HA -0.107 nan 4.420 nan 0.000 0.257 567 P C -1.017 176.331 177.300 0.080 0.000 1.162 567 P CA 0.471 63.598 63.100 0.045 0.000 0.762 567 P CB 0.290 32.044 31.700 0.089 0.000 0.753 568 K N 3.130 123.577 120.400 0.079 0.000 2.297 568 K HA 0.063 4.374 4.320 -0.015 0.000 0.286 568 K C 0.419 177.082 176.600 0.104 0.000 1.053 568 K CA -0.257 56.077 56.287 0.078 0.000 0.940 568 K CB 0.305 32.836 32.500 0.053 0.000 1.019 568 K HN 0.464 nan 8.250 nan 0.000 0.475 569 D N 1.514 121.983 120.400 0.116 0.000 3.059 569 D HA -0.236 4.395 4.640 -0.015 0.000 0.220 569 D C -0.384 176.001 176.300 0.141 0.000 1.169 569 D CA 0.744 54.814 54.000 0.117 0.000 0.902 569 D CB -1.074 39.772 40.800 0.076 0.000 1.116 569 D HN 0.535 nan 8.370 nan 0.000 0.417 570 F N 1.591 121.542 119.950 0.002 0.000 2.623 570 F HA 0.086 4.604 4.527 -0.015 0.000 0.383 570 F C 0.640 176.424 175.800 -0.027 0.000 1.077 570 F CA 0.411 58.389 58.000 -0.037 0.000 1.268 570 F CB 0.495 39.392 39.000 -0.172 0.000 1.053 570 F HN -0.161 nan 8.300 nan 0.000 0.571 571 D N 5.515 125.735 120.400 -0.301 0.000 2.649 571 D HA 0.105 4.736 4.640 -0.015 0.000 0.249 571 D C -0.229 175.983 176.300 -0.147 0.000 1.112 571 D CA -0.604 53.364 54.000 -0.054 0.000 0.850 571 D CB 0.886 41.698 40.800 0.021 0.000 1.399 571 D HN 0.703 nan 8.370 nan 0.000 0.503 572 W N 2.457 123.850 121.300 0.154 0.000 2.800 572 W HA 0.133 4.786 4.660 -0.012 0.000 0.249 572 W C 2.055 178.624 176.519 0.084 0.000 1.294 572 W CA 0.306 57.743 57.345 0.154 0.000 1.402 572 W CB 0.312 29.839 29.460 0.113 0.000 1.126 572 W HN 0.605 nan 8.180 nan 0.000 0.652 573 A N 0.379 123.343 122.820 0.241 0.000 1.970 573 A HA -0.127 4.184 4.320 -0.015 0.000 0.216 573 A C 1.860 179.477 177.584 0.054 0.000 1.170 573 A CA 1.113 53.222 52.037 0.119 0.000 0.645 573 A CB -0.341 18.701 19.000 0.070 0.000 0.816 573 A HN 0.239 nan 8.150 nan 0.000 0.447 574 K N -1.219 119.179 120.400 -0.002 0.000 2.217 574 K HA -0.009 4.302 4.320 -0.015 0.000 0.202 574 K C -0.629 175.748 176.600 -0.372 0.000 1.051 574 K CA 0.666 56.809 56.287 -0.241 0.000 0.952 574 K CB -0.106 32.129 32.500 -0.442 0.000 0.736 574 K HN 0.536 nan 8.250 nan 0.000 0.453 575 F N 0.971 120.889 119.950 -0.053 0.000 2.344 575 F HA 0.235 4.753 4.527 -0.014 0.000 0.344 575 F C -1.923 173.938 175.800 0.100 0.000 1.140 575 F CA -2.424 55.600 58.000 0.040 0.000 1.256 575 F CB 1.113 40.153 39.000 0.067 0.000 1.573 575 F HN -0.124 nan 8.300 nan 0.000 0.547 576 P HA -0.119 nan 4.420 nan 0.000 0.223 576 P C 1.566 178.923 177.300 0.095 0.000 1.151 576 P CA 0.825 63.984 63.100 0.098 0.000 0.787 576 P CB 0.275 31.998 31.700 0.040 0.000 0.788 577 V N -0.062 119.936 119.914 0.140 0.000 2.446 577 V HA -0.091 4.020 4.120 -0.015 0.000 0.244 577 V C 2.504 178.571 176.094 -0.044 0.000 1.039 577 V CA 1.802 64.164 62.300 0.103 0.000 1.045 577 V CB -1.654 30.298 31.823 0.215 0.000 0.681 577 V HN 0.075 nan 8.190 nan 0.000 0.459 578 A N 1.364 124.190 122.820 0.010 0.000 1.858 578 A HA -0.221 4.090 4.320 -0.015 0.000 0.216 578 A C 2.581 180.158 177.584 -0.013 0.000 1.190 578 A CA 2.541 54.450 52.037 -0.212 0.000 0.617 578 A CB -0.928 18.303 19.000 0.385 0.000 0.827 578 A HN 0.659 nan 8.150 nan 0.000 0.443 579 S N 0.308 116.104 115.700 0.161 0.000 2.353 579 S HA -0.236 4.225 4.470 -0.015 0.000 0.222 579 S C 1.999 176.529 174.600 -0.118 0.000 1.035 579 S CA 1.417 59.592 58.200 -0.040 0.000 1.025 579 S CB -0.598 62.524 63.200 -0.130 0.000 0.902 579 S HN 0.609 nan 8.310 nan 0.000 0.440 580 R N 1.702 122.146 120.500 -0.092 0.000 2.120 580 R HA 0.137 4.468 4.340 -0.015 0.000 0.234 580 R C 2.654 178.887 176.300 -0.112 0.000 1.123 580 R CA 1.077 57.119 56.100 -0.097 0.000 0.975 580 R CB -0.710 29.554 30.300 -0.060 0.000 0.866 580 R HN 0.599 nan 8.270 nan 0.000 0.446 581 A N 1.205 123.944 122.820 -0.134 0.000 2.015 581 A HA -0.088 4.223 4.320 -0.015 0.000 0.219 581 A C 2.075 179.558 177.584 -0.168 0.000 1.163 581 A CA 0.731 52.708 52.037 -0.100 0.000 0.646 581 A CB -0.314 18.606 19.000 -0.132 0.000 0.806 581 A HN 0.311 nan 8.150 nan 0.000 0.448 582 L N -0.629 120.349 121.223 -0.408 0.000 2.044 582 L HA -0.054 4.277 4.340 -0.015 0.000 0.205 582 L C 2.178 178.802 176.870 -0.409 0.000 1.075 582 L CA 1.249 55.618 54.840 -0.785 0.000 0.747 582 L CB -0.182 41.194 42.059 -1.137 0.000 0.903 582 L HN 0.396 nan 8.230 nan 0.000 0.435 583 L N -0.420 120.662 121.223 -0.234 0.000 2.291 583 L HA -0.138 4.193 4.340 -0.015 0.000 0.214 583 L C 2.178 178.972 176.870 -0.128 0.000 1.120 583 L CA 0.705 55.459 54.840 -0.145 0.000 0.799 583 L CB -0.707 41.279 42.059 -0.121 0.000 0.925 583 L HN 0.362 nan 8.230 nan 0.000 0.446 584 D N 1.204 121.522 120.400 -0.136 0.000 2.085 584 D HA -0.150 4.481 4.640 -0.015 0.000 0.199 584 D C 2.154 178.394 176.300 -0.100 0.000 0.981 584 D CA 1.495 55.437 54.000 -0.095 0.000 0.834 584 D CB 0.017 40.778 40.800 -0.064 0.000 0.992 584 D HN 0.267 nan 8.370 nan 0.000 0.457 585 I N -0.530 119.942 120.570 -0.165 0.000 2.361 585 I HA -0.236 3.925 4.170 -0.015 0.000 0.251 585 I C 0.828 176.846 176.117 -0.165 0.000 1.133 585 I CA 0.741 61.924 61.300 -0.195 0.000 1.413 585 I CB -0.221 37.604 38.000 -0.292 0.000 1.073 585 I HN 0.035 nan 8.210 nan 0.000 0.424 586 Y N 1.943 122.210 120.300 -0.055 0.000 2.811 586 Y HA 0.112 4.645 4.550 -0.027 0.000 0.330 586 Y C 2.018 177.848 175.900 -0.117 0.000 1.081 586 Y CA -0.918 57.118 58.100 -0.108 0.000 1.408 586 Y CB -1.040 37.318 38.460 -0.171 0.000 1.235 586 Y HN 0.288 nan 8.280 nan 0.000 0.529 587 Q N -0.545 119.264 119.800 0.015 0.000 2.123 587 Q HA -0.149 4.182 4.340 -0.015 0.000 0.199 587 Q C 0.457 176.436 176.000 -0.035 0.000 0.966 587 Q CA 1.883 57.665 55.803 -0.035 0.000 0.845 587 Q CB 0.022 28.730 28.738 -0.050 0.000 0.907 587 Q HN 0.231 nan 8.270 nan 0.000 0.439 588 D N 0.999 121.390 120.400 -0.015 0.000 2.117 588 D HA -0.089 4.542 4.640 -0.015 0.000 0.198 588 D C 1.536 177.817 176.300 -0.031 0.000 0.982 588 D CA 1.050 55.037 54.000 -0.022 0.000 0.828 588 D CB -0.170 40.623 40.800 -0.012 0.000 0.967 588 D HN 0.372 nan 8.370 nan 0.000 0.464 589 N N -0.212 118.467 118.700 -0.035 0.000 2.409 589 N HA 0.098 4.829 4.740 -0.015 0.000 0.174 589 N C 1.824 177.290 175.510 -0.073 0.000 1.037 589 N CA 0.198 53.212 53.050 -0.060 0.000 0.898 589 N CB 0.994 39.421 38.487 -0.100 0.000 1.010 589 N HN 0.240 nan 8.380 nan 0.000 0.445 590 I N -0.041 120.484 120.570 -0.075 0.000 2.834 590 I HA -0.056 4.105 4.170 -0.015 0.000 0.239 590 I C 2.009 178.045 176.117 -0.135 0.000 1.073 590 I CA 0.380 61.619 61.300 -0.102 0.000 1.459 590 I CB -0.148 37.795 38.000 -0.094 0.000 1.288 590 I HN -0.215 nan 8.210 nan 0.000 0.455 591 V N 1.097 120.930 119.914 -0.134 0.000 2.427 591 V HA -0.217 3.894 4.120 -0.015 0.000 0.248 591 V C 1.922 177.922 176.094 -0.158 0.000 1.051 591 V CA 1.706 63.897 62.300 -0.183 0.000 1.048 591 V CB -0.640 31.083 31.823 -0.166 0.000 0.666 591 V HN 0.330 nan 8.190 nan 0.000 0.456 592 K N -0.073 120.265 120.400 -0.104 0.000 2.458 592 K HA 0.127 4.438 4.320 -0.015 0.000 0.194 592 K C 0.868 177.434 176.600 -0.055 0.000 1.024 592 K CA -0.071 56.171 56.287 -0.075 0.000 1.108 592 K CB 0.264 32.731 32.500 -0.054 0.000 0.846 592 K HN 0.315 nan 8.250 nan 0.000 0.518 593 S N 0.937 116.596 115.700 -0.069 0.000 2.548 593 S HA 0.068 4.529 4.470 -0.015 0.000 0.277 593 S C 0.738 175.328 174.600 -0.016 0.000 1.315 593 S CA -0.352 57.827 58.200 -0.035 0.000 1.050 593 S CB 0.818 63.988 63.200 -0.050 0.000 0.918 593 S HN 0.205 nan 8.310 nan 0.000 0.497 594 Q N 2.185 122.015 119.800 0.051 0.000 2.282 594 Q HA 0.113 4.444 4.340 -0.015 0.000 0.206 594 Q C -0.115 175.962 176.000 0.128 0.000 0.878 594 Q CA -0.253 55.620 55.803 0.117 0.000 0.944 594 Q CB 0.044 28.909 28.738 0.210 0.000 1.100 594 Q HN 0.579 nan 8.270 nan 0.000 0.509 595 N N 1.382 120.129 118.700 0.079 0.000 2.416 595 N HA 0.017 4.748 4.740 -0.015 0.000 0.271 595 N C 0.640 176.188 175.510 0.063 0.000 1.245 595 N CA 0.195 53.293 53.050 0.079 0.000 0.940 595 N CB 1.120 39.643 38.487 0.060 0.000 1.175 595 N HN 0.164 nan 8.380 nan 0.000 0.483 596 A N 4.841 127.727 122.820 0.110 0.000 1.948 596 A HA -0.169 4.142 4.320 -0.015 0.000 0.220 596 A C 1.873 179.315 177.584 -0.237 0.000 1.177 596 A CA 1.195 53.251 52.037 0.031 0.000 0.636 596 A CB -0.247 18.814 19.000 0.102 0.000 0.815 596 A HN 0.753 nan 8.150 nan 0.000 0.449 597 E N -0.189 120.026 120.200 0.025 0.000 2.058 597 E HA -0.144 4.197 4.350 -0.015 0.000 0.194 597 E C 2.180 178.821 176.600 0.068 0.000 0.997 597 E CA 1.580 58.069 56.400 0.148 0.000 0.801 597 E CB -0.584 29.253 29.700 0.228 0.000 0.746 597 E HN 0.457 nan 8.360 nan 0.000 0.450 598 V N 0.965 120.885 119.914 0.011 0.000 2.488 598 V HA -0.149 3.962 4.120 -0.015 0.000 0.246 598 V C 2.563 178.568 176.094 -0.150 0.000 1.046 598 V CA 0.884 63.160 62.300 -0.040 0.000 1.053 598 V CB -0.352 31.447 31.823 -0.040 0.000 0.679 598 V HN 0.035 nan 8.190 nan 0.000 0.458 599 V N -0.262 119.523 119.914 -0.215 0.000 2.343 599 V HA -0.273 3.838 4.120 -0.015 0.000 0.247 599 V C 2.182 177.944 176.094 -0.553 0.000 1.051 599 V CA 2.488 64.511 62.300 -0.461 0.000 1.036 599 V CB -0.706 30.817 31.823 -0.500 0.000 0.654 599 V HN 0.590 nan 8.190 nan 0.000 0.451 600 F N 1.088 120.740 119.950 -0.497 0.000 2.134 600 F HA -0.139 4.378 4.527 -0.017 0.000 0.299 600 F C 2.392 178.143 175.800 -0.081 0.000 1.097 600 F CA 1.628 59.463 58.000 -0.276 0.000 1.264 600 F CB -0.164 38.799 39.000 -0.062 0.000 1.001 600 F HN -0.047 nan 8.300 nan 0.000 0.479 601 K N 0.200 120.598 120.400 -0.003 0.000 2.147 601 K HA -0.199 4.112 4.320 -0.015 0.000 0.205 601 K C 2.200 178.696 176.600 -0.174 0.000 1.049 601 K CA 1.478 57.735 56.287 -0.050 0.000 0.936 601 K CB -0.780 31.736 32.500 0.026 0.000 0.722 601 K HN 0.432 nan 8.250 nan 0.000 0.446 602 M N -0.388 119.055 119.600 -0.263 0.000 2.067 602 M HA -0.164 4.307 4.480 -0.015 0.000 0.260 602 M C 1.686 177.805 176.300 -0.301 0.000 1.069 602 M CA 1.674 56.788 55.300 -0.311 0.000 1.117 602 M CB -0.141 32.171 32.600 -0.480 0.000 1.334 602 M HN -0.066 nan 8.290 nan 0.000 0.407 603 F N 0.848 120.593 119.950 -0.343 0.000 2.161 603 F HA -0.209 4.312 4.527 -0.009 0.000 0.300 603 F C 2.546 178.188 175.800 -0.263 0.000 1.089 603 F CA 1.504 59.311 58.000 -0.323 0.000 1.282 603 F CB -0.816 37.918 39.000 -0.445 0.000 1.010 603 F HN 0.188 nan 8.300 nan 0.000 0.485 604 K N -0.569 119.724 120.400 -0.178 0.000 2.057 604 K HA -0.222 4.089 4.320 -0.015 0.000 0.207 604 K C 2.222 178.909 176.600 0.144 0.000 1.049 604 K CA 1.439 57.695 56.287 -0.052 0.000 0.931 604 K CB -0.514 31.913 32.500 -0.122 0.000 0.714 604 K HN 0.237 nan 8.250 nan 0.000 0.440 605 F N 2.138 122.009 119.950 -0.132 0.000 2.234 605 F HA -0.132 4.388 4.527 -0.011 0.000 0.299 605 F C 2.028 177.761 175.800 -0.111 0.000 1.087 605 F CA 1.420 59.300 58.000 -0.201 0.000 1.340 605 F CB -0.001 38.766 39.000 -0.389 0.000 1.031 605 F HN 0.103 nan 8.300 nan 0.000 0.500 606 Q N -0.330 119.388 119.800 -0.137 0.000 2.187 606 Q HA -0.100 4.231 4.340 -0.015 0.000 0.199 606 Q C 2.178 178.184 176.000 0.009 0.000 0.957 606 Q CA 1.113 56.829 55.803 -0.145 0.000 0.857 606 Q CB 0.059 28.780 28.738 -0.029 0.000 0.929 606 Q HN 0.388 nan 8.270 nan 0.000 0.453 607 I N -0.378 120.244 120.570 0.087 0.000 2.353 607 I HA -0.171 3.990 4.170 -0.015 0.000 0.248 607 I C 1.810 177.937 176.117 0.015 0.000 1.119 607 I CA 1.234 62.585 61.300 0.085 0.000 1.417 607 I CB -0.767 37.232 38.000 -0.001 0.000 1.078 607 I HN 0.147 nan 8.210 nan 0.000 0.421 608 F N 1.650 121.565 119.950 -0.058 0.000 2.146 608 F HA -0.098 4.421 4.527 -0.014 0.000 0.298 608 F C 2.525 178.300 175.800 -0.041 0.000 1.096 608 F CA 1.435 59.423 58.000 -0.020 0.000 1.275 608 F CB -0.418 38.595 39.000 0.021 0.000 1.008 608 F HN 0.002 nan 8.300 nan 0.000 0.480 609 A N -0.464 122.315 122.820 -0.070 0.000 2.252 609 A HA -0.009 4.302 4.320 -0.015 0.000 0.207 609 A C 1.093 178.664 177.584 -0.022 0.000 1.194 609 A CA 0.120 52.079 52.037 -0.131 0.000 0.809 609 A CB -0.880 17.775 19.000 -0.575 0.000 0.814 609 A HN 0.361 nan 8.150 nan 0.000 0.482 610 K N -0.626 119.798 120.400 0.039 0.000 3.177 610 K HA -0.166 4.145 4.320 -0.015 0.000 0.266 610 K C -0.793 175.831 176.600 0.039 0.000 0.937 610 K CA 0.473 56.825 56.287 0.107 0.000 0.702 610 K CB -1.557 30.991 32.500 0.080 0.000 1.365 610 K HN 0.570 nan 8.250 nan 0.000 0.466 611 L N 1.460 122.658 121.223 -0.042 0.000 2.404 611 L HA 0.036 4.367 4.340 -0.015 0.000 0.277 611 L C 1.854 178.460 176.870 -0.439 0.000 1.184 611 L CA -0.033 54.706 54.840 -0.168 0.000 1.013 611 L CB 0.529 42.493 42.059 -0.159 0.000 1.318 611 L HN 0.327 nan 8.230 nan 0.000 0.435 612 Q N 2.160 121.679 119.800 -0.467 0.000 2.248 612 Q HA -0.225 4.106 4.340 -0.015 0.000 0.208 612 Q C 1.990 177.483 176.000 -0.846 0.000 0.984 612 Q CA 2.018 57.301 55.803 -0.867 0.000 0.875 612 Q CB 0.270 28.848 28.738 -0.267 0.000 0.910 612 Q HN 0.750 nan 8.270 nan 0.000 0.433 613 E N -0.112 119.838 120.200 -0.417 0.000 2.208 613 E HA -0.200 4.141 4.350 -0.015 0.000 0.193 613 E C 1.033 177.580 176.600 -0.088 0.000 0.988 613 E CA 0.973 57.255 56.400 -0.198 0.000 0.828 613 E CB -0.069 29.583 29.700 -0.080 0.000 0.763 613 E HN 0.467 nan 8.360 nan 0.000 0.478 614 E N 0.271 120.396 120.200 -0.126 0.000 2.435 614 E HA -0.052 4.289 4.350 -0.015 0.000 0.195 614 E C 1.617 178.388 176.600 0.284 0.000 1.029 614 E CA 0.212 56.734 56.400 0.204 0.000 0.865 614 E CB -0.308 29.467 29.700 0.126 0.000 0.833 614 E HN 0.374 nan 8.360 nan 0.000 0.510 615 Y N 2.205 122.566 120.300 0.101 0.000 2.165 615 Y HA -0.239 4.302 4.550 -0.015 0.000 0.286 615 Y C 2.315 178.206 175.900 -0.015 0.000 1.155 615 Y CA 1.203 59.317 58.100 0.024 0.000 1.164 615 Y CB -0.929 37.531 38.460 0.001 0.000 0.978 615 Y HN 0.168 nan 8.280 nan 0.000 0.513 616 K N -0.565 119.893 120.400 0.096 0.000 2.147 616 K HA -0.206 4.105 4.320 -0.015 0.000 0.205 616 K C 1.493 178.049 176.600 -0.073 0.000 1.049 616 K CA 2.167 58.429 56.287 -0.041 0.000 0.936 616 K CB -0.783 31.619 32.500 -0.163 0.000 0.722 616 K HN 0.378 nan 8.250 nan 0.000 0.446 617 H N 0.279 119.421 119.070 0.120 0.000 2.428 617 H HA -0.003 4.546 4.556 -0.012 0.000 0.296 617 H C 1.889 177.218 175.328 0.002 0.000 1.062 617 H CA 1.167 57.321 56.048 0.176 0.000 1.350 617 H CB 0.122 30.057 29.762 0.289 0.000 1.403 617 H HN 0.141 nan 8.280 nan 0.000 0.533 618 L N 0.348 121.449 121.223 -0.204 0.000 2.179 618 L HA 0.125 4.456 4.340 -0.015 0.000 0.208 618 L C 2.244 178.929 176.870 -0.307 0.000 1.096 618 L CA 1.308 55.622 54.840 -0.876 0.000 0.779 618 L CB -0.604 41.024 42.059 -0.718 0.000 0.922 618 L HN 0.196 nan 8.230 nan 0.000 0.443 619 A N -0.310 122.448 122.820 -0.104 0.000 1.858 619 A HA -0.209 4.102 4.320 -0.015 0.000 0.216 619 A C 1.992 179.621 177.584 0.075 0.000 1.190 619 A CA 1.907 53.940 52.037 -0.007 0.000 0.617 619 A CB -0.941 18.098 19.000 0.064 0.000 0.827 619 A HN 0.498 nan 8.150 nan 0.000 0.443 620 D N -1.563 118.901 120.400 0.107 0.000 2.123 620 D HA -0.187 4.444 4.640 -0.015 0.000 0.196 620 D C 1.546 177.888 176.300 0.070 0.000 0.992 620 D CA 1.323 55.412 54.000 0.148 0.000 0.833 620 D CB -0.452 40.442 40.800 0.157 0.000 0.954 620 D HN 0.745 nan 8.370 nan 0.000 0.455 621 W N 1.239 122.479 121.300 -0.101 0.000 2.425 621 W HA -0.009 4.643 4.660 -0.013 0.000 0.277 621 W C 1.689 178.124 176.519 -0.139 0.000 1.231 621 W CA 0.696 57.992 57.345 -0.083 0.000 1.248 621 W CB -0.242 29.196 29.460 -0.037 0.000 1.117 621 W HN -0.081 nan 8.180 nan 0.000 0.568 622 L N 0.323 121.440 121.223 -0.177 0.000 2.456 622 L HA 0.004 4.335 4.340 -0.015 0.000 0.224 622 L C 2.450 179.104 176.870 -0.360 0.000 1.148 622 L CA 1.082 55.742 54.840 -0.299 0.000 0.825 622 L CB -1.086 40.752 42.059 -0.369 0.000 0.937 622 L HN 0.179 nan 8.230 nan 0.000 0.450 623 G N -0.958 107.374 108.800 -0.780 0.000 2.712 623 G HA2 -0.128 3.823 3.960 -0.015 0.000 0.212 623 G HA3 -0.128 3.823 3.960 -0.015 0.000 0.212 623 G C 1.568 176.047 174.900 -0.701 0.000 1.142 623 G CA 0.910 45.095 45.100 -1.525 0.000 0.789 623 G HN 0.426 nan 8.290 nan 0.000 0.535 624 T N -1.916 112.352 114.554 -0.476 0.000 3.037 624 T HA 0.304 4.645 4.350 -0.015 0.000 0.251 624 T C 0.729 175.259 174.700 -0.284 0.000 1.079 624 T CA 0.548 62.459 62.100 -0.314 0.000 1.067 624 T CB 0.157 68.889 68.868 -0.226 0.000 0.948 624 T HN 0.428 nan 8.240 nan 0.000 0.496 625 V N -1.994 117.693 119.914 -0.379 0.000 2.769 625 V HA 0.942 5.053 4.120 -0.015 0.000 0.312 625 V C 0.736 176.818 176.094 -0.020 0.000 1.061 625 V CA -0.346 61.811 62.300 -0.238 0.000 0.931 625 V CB 1.607 33.163 31.823 -0.445 0.000 1.010 625 V HN 0.151 nan 8.190 nan 0.000 0.433 626 G N 2.126 110.965 108.800 0.065 0.000 3.104 626 G HA2 0.128 4.079 3.960 -0.015 0.000 0.237 626 G HA3 0.128 4.079 3.960 -0.015 0.000 0.237 626 G C 0.633 175.539 174.900 0.011 0.000 1.035 626 G CA -0.468 44.728 45.100 0.159 0.000 0.844 626 G HN 0.776 nan 8.290 nan 0.000 0.531 627 R N 1.254 121.741 120.500 -0.021 0.000 2.480 627 R HA 0.070 4.401 4.340 -0.015 0.000 0.303 627 R C 1.741 177.912 176.300 -0.215 0.000 0.985 627 R CA -0.281 55.733 56.100 -0.143 0.000 1.051 627 R CB 0.236 30.421 30.300 -0.191 0.000 0.935 627 R HN 0.003 nan 8.270 nan 0.000 0.410 628 M N 3.999 123.438 119.600 -0.268 0.000 2.143 628 M HA -0.276 4.195 4.480 -0.015 0.000 0.258 628 M C 1.799 177.956 176.300 -0.238 0.000 1.071 628 M CA 2.108 57.260 55.300 -0.247 0.000 1.088 628 M CB -0.672 31.761 32.600 -0.278 0.000 1.360 628 M HN 0.613 nan 8.290 nan 0.000 0.404 629 K N -0.936 119.252 120.400 -0.354 0.000 2.296 629 K HA -0.085 4.226 4.320 -0.015 0.000 0.200 629 K C 1.550 177.888 176.600 -0.437 0.000 1.048 629 K CA 1.065 57.108 56.287 -0.407 0.000 0.966 629 K CB -0.149 32.047 32.500 -0.507 0.000 0.754 629 K HN 0.067 nan 8.250 nan 0.000 0.466 630 F N 0.937 120.734 119.950 -0.254 0.000 2.220 630 F HA 0.081 4.600 4.527 -0.013 0.000 0.290 630 F C 2.262 178.041 175.800 -0.035 0.000 1.080 630 F CA -0.106 57.750 58.000 -0.239 0.000 1.318 630 F CB -0.778 38.224 39.000 0.004 0.000 1.063 630 F HN -0.236 nan 8.300 nan 0.000 0.498 631 V N 0.493 120.455 119.914 0.080 0.000 2.392 631 V HA -0.266 3.845 4.120 -0.015 0.000 0.249 631 V C 2.589 178.766 176.094 0.138 0.000 1.059 631 V CA 2.062 64.380 62.300 0.030 0.000 1.051 631 V CB -0.597 31.125 31.823 -0.167 0.000 0.658 631 V HN 0.230 nan 8.190 nan 0.000 0.455 632 R N 0.162 120.695 120.500 0.056 0.000 2.051 632 R HA -0.064 4.267 4.340 -0.015 0.000 0.225 632 R C -0.154 176.233 176.300 0.145 0.000 1.155 632 R CA 1.466 57.605 56.100 0.064 0.000 0.945 632 R CB -1.212 29.070 30.300 -0.029 0.000 0.840 632 R HN 0.412 nan 8.270 nan 0.000 0.432 633 P HA -0.044 nan 4.420 nan 0.000 0.222 633 P C 0.876 178.437 177.300 0.434 0.000 1.147 633 P CA 1.544 64.814 63.100 0.284 0.000 0.790 633 P CB -0.234 31.671 31.700 0.341 0.000 0.780 634 G N -1.564 107.552 108.800 0.526 0.000 2.422 634 G HA2 -0.260 3.691 3.960 -0.015 0.000 0.218 634 G HA3 -0.260 3.691 3.960 -0.015 0.000 0.218 634 G C 1.255 176.237 174.900 0.137 0.000 1.146 634 G CA 0.429 45.815 45.100 0.476 0.000 0.769 634 G HN 0.254 nan 8.290 nan 0.000 0.547 635 Y N 0.249 120.621 120.300 0.120 0.000 2.457 635 Y HA 0.150 4.692 4.550 -0.014 0.000 0.292 635 Y C 3.027 178.933 175.900 0.010 0.000 1.125 635 Y CA 0.553 58.679 58.100 0.043 0.000 1.254 635 Y CB 0.206 38.657 38.460 -0.014 0.000 1.012 635 Y HN 0.039 nan 8.280 nan 0.000 0.555 636 R N -0.301 120.300 120.500 0.168 0.000 2.073 636 R HA -0.104 4.227 4.340 -0.015 0.000 0.229 636 R C 2.037 178.360 176.300 0.039 0.000 1.120 636 R CA 1.103 57.256 56.100 0.089 0.000 0.967 636 R CB -0.396 29.960 30.300 0.093 0.000 0.862 636 R HN 0.353 nan 8.270 nan 0.000 0.436 637 L N 0.446 121.699 121.223 0.049 0.000 2.046 637 L HA -0.206 4.125 4.340 -0.015 0.000 0.208 637 L C 2.366 179.167 176.870 -0.115 0.000 1.077 637 L CA 0.877 55.698 54.840 -0.032 0.000 0.747 637 L CB -0.360 41.684 42.059 -0.024 0.000 0.896 637 L HN 0.196 nan 8.230 nan 0.000 0.432 638 L N 0.205 121.369 121.223 -0.098 0.000 2.156 638 L HA -0.153 4.178 4.340 -0.015 0.000 0.208 638 L C 2.043 178.833 176.870 -0.134 0.000 1.095 638 L CA 1.632 56.378 54.840 -0.157 0.000 0.770 638 L CB -0.639 41.348 42.059 -0.120 0.000 0.914 638 L HN 0.253 nan 8.230 nan 0.000 0.439 639 N N -1.160 117.508 118.700 -0.052 0.000 2.171 639 N HA -0.181 4.550 4.740 -0.015 0.000 0.184 639 N C 2.000 177.461 175.510 -0.081 0.000 1.021 639 N CA 1.369 54.397 53.050 -0.037 0.000 0.854 639 N CB -0.092 38.396 38.487 0.001 0.000 0.994 639 N HN 0.491 nan 8.380 nan 0.000 0.426 640 S N -0.640 114.999 115.700 -0.101 0.000 2.359 640 S HA -0.121 4.340 4.470 -0.015 0.000 0.224 640 S C 1.980 176.493 174.600 -0.146 0.000 1.035 640 S CA 1.624 59.756 58.200 -0.113 0.000 1.018 640 S CB -0.825 62.300 63.200 -0.126 0.000 0.876 640 S HN 0.124 nan 8.310 nan 0.000 0.448 641 V N 1.352 121.124 119.914 -0.237 0.000 2.599 641 V HA 0.157 4.268 4.120 -0.015 0.000 0.245 641 V C 0.797 176.733 176.094 -0.264 0.000 1.046 641 V CA 1.368 63.489 62.300 -0.298 0.000 1.065 641 V CB -0.439 31.043 31.823 -0.569 0.000 0.703 641 V HN 0.489 nan 8.190 nan 0.000 0.464 642 D N -0.628 119.604 120.400 -0.280 0.000 2.468 642 D HA 0.206 4.837 4.640 -0.015 0.000 0.272 642 D C 1.153 177.413 176.300 -0.068 0.000 1.221 642 D CA -0.332 53.583 54.000 -0.142 0.000 0.860 642 D CB 1.092 41.813 40.800 -0.131 0.000 1.190 642 D HN -0.003 nan 8.370 nan 0.000 0.509 643 R N 1.828 122.303 120.500 -0.042 0.000 2.117 643 R HA -0.079 4.252 4.340 -0.015 0.000 0.243 643 R C 1.691 178.001 176.300 0.017 0.000 1.143 643 R CA 1.665 57.758 56.100 -0.012 0.000 0.968 643 R CB 0.089 30.381 30.300 -0.013 0.000 0.863 643 R HN 0.236 nan 8.270 nan 0.000 0.444 644 R N -0.401 120.110 120.500 0.019 0.000 2.115 644 R HA -0.072 4.259 4.340 -0.015 0.000 0.230 644 R C 2.143 178.474 176.300 0.052 0.000 1.111 644 R CA 1.215 57.335 56.100 0.033 0.000 0.976 644 R CB -0.508 29.809 30.300 0.028 0.000 0.870 644 R HN 0.200 nan 8.270 nan 0.000 0.445 645 L N 0.942 122.196 121.223 0.052 0.000 2.072 645 L HA 0.026 4.357 4.340 -0.015 0.000 0.205 645 L C 2.351 179.290 176.870 0.116 0.000 1.079 645 L CA 1.623 56.506 54.840 0.072 0.000 0.752 645 L CB -0.632 41.465 42.059 0.063 0.000 0.906 645 L HN 0.107 nan 8.230 nan 0.000 0.436 646 A N -0.348 122.540 122.820 0.114 0.000 1.892 646 A HA -0.232 4.079 4.320 -0.015 0.000 0.218 646 A C 2.274 180.034 177.584 0.294 0.000 1.188 646 A CA 2.260 54.429 52.037 0.220 0.000 0.631 646 A CB -1.029 18.070 19.000 0.166 0.000 0.822 646 A HN 0.481 nan 8.150 nan 0.000 0.447 647 L N -1.128 120.203 121.223 0.180 0.000 2.083 647 L HA -0.197 4.134 4.340 -0.015 0.000 0.209 647 L C 3.087 180.073 176.870 0.192 0.000 1.083 647 L CA 1.077 56.024 54.840 0.178 0.000 0.752 647 L CB -0.537 41.582 42.059 0.100 0.000 0.899 647 L HN 0.478 nan 8.230 nan 0.000 0.433 648 A N -0.478 122.427 122.820 0.140 0.000 1.897 648 A HA -0.146 4.165 4.320 -0.015 0.000 0.215 648 A C 2.345 179.990 177.584 0.101 0.000 1.181 648 A CA 1.970 54.057 52.037 0.085 0.000 0.620 648 A CB -0.801 18.229 19.000 0.051 0.000 0.821 648 A HN 0.352 nan 8.150 nan 0.000 0.443 649 T N -0.424 114.255 114.554 0.207 0.000 2.622 649 T HA -0.188 4.153 4.350 -0.015 0.000 0.266 649 T C 1.654 176.631 174.700 0.463 0.000 1.047 649 T CA 1.767 64.065 62.100 0.331 0.000 1.159 649 T CB -0.492 68.617 68.868 0.403 0.000 0.863 649 T HN 0.445 nan 8.240 nan 0.000 0.422 650 F N 2.044 122.240 119.950 0.410 0.000 2.161 650 F HA -0.110 4.408 4.527 -0.016 0.000 0.300 650 F C 2.042 177.914 175.800 0.119 0.000 1.089 650 F CA 1.472 59.619 58.000 0.244 0.000 1.282 650 F CB -0.573 38.396 39.000 -0.053 0.000 1.010 650 F HN 0.150 nan 8.300 nan 0.000 0.485 651 D N -0.061 120.351 120.400 0.020 0.000 2.144 651 D HA -0.249 4.382 4.640 -0.015 0.000 0.199 651 D C 2.247 178.408 176.300 -0.231 0.000 0.984 651 D CA 1.579 55.501 54.000 -0.131 0.000 0.834 651 D CB -0.241 40.542 40.800 -0.028 0.000 0.955 651 D HN 0.373 nan 8.370 nan 0.000 0.465 652 K N -1.154 119.079 120.400 -0.278 0.000 2.228 652 K HA -0.042 4.269 4.320 -0.015 0.000 0.202 652 K C 0.869 177.107 176.600 -0.603 0.000 1.051 652 K CA 0.859 56.839 56.287 -0.512 0.000 0.960 652 K CB -0.046 31.996 32.500 -0.762 0.000 0.743 652 K HN 0.235 nan 8.250 nan 0.000 0.458 653 F N 1.033 120.905 119.950 -0.131 0.000 2.706 653 F HA 0.193 4.711 4.527 -0.014 0.000 0.313 653 F C 1.571 177.115 175.800 -0.427 0.000 1.096 653 F CA -0.643 57.206 58.000 -0.253 0.000 1.219 653 F CB 0.528 39.452 39.000 -0.127 0.000 1.051 653 F HN -0.053 nan 8.300 nan 0.000 0.568 654 K N 0.271 120.459 120.400 -0.353 0.000 2.015 654 K HA -0.221 4.090 4.320 -0.015 0.000 0.216 654 K C 0.676 177.151 176.600 -0.209 0.000 1.052 654 K CA 2.250 58.203 56.287 -0.557 0.000 0.937 654 K CB -0.522 31.316 32.500 -1.103 0.000 0.719 654 K HN 0.052 nan 8.250 nan 0.000 0.446 655 D N 0.792 121.070 120.400 -0.204 0.000 2.352 655 D HA -0.031 4.599 4.640 -0.015 0.000 0.232 655 D C 1.212 177.448 176.300 -0.107 0.000 1.055 655 D CA 1.255 55.187 54.000 -0.114 0.000 0.891 655 D CB 0.381 41.122 40.800 -0.100 0.000 0.897 655 D HN 0.628 nan 8.370 nan 0.000 0.529 656 T N -3.263 111.166 114.554 -0.208 0.000 3.014 656 T HA 0.019 4.360 4.350 -0.015 0.000 0.250 656 T C 0.870 175.447 174.700 -0.206 0.000 1.060 656 T CA -0.148 61.821 62.100 -0.220 0.000 1.040 656 T CB -0.035 68.680 68.868 -0.256 0.000 0.971 656 T HN -0.131 nan 8.240 nan 0.000 0.497 657 Y N 1.672 122.011 120.300 0.066 0.000 2.295 657 Y HA 0.409 4.949 4.550 -0.016 0.000 0.331 657 Y C 1.106 177.070 175.900 0.106 0.000 1.311 657 Y CA -1.904 56.249 58.100 0.089 0.000 1.430 657 Y CB 0.099 38.623 38.460 0.107 0.000 1.339 657 Y HN 0.172 nan 8.280 nan 0.000 0.552 658 H N 3.326 122.526 119.070 0.218 0.000 2.964 658 H HA 0.017 4.564 4.556 -0.015 0.000 0.328 658 H C -1.848 173.548 175.328 0.114 0.000 1.030 658 H CA -1.472 54.658 56.048 0.137 0.000 1.445 658 H CB 1.289 31.093 29.762 0.069 0.000 1.449 658 H HN 0.349 nan 8.280 nan 0.000 0.581 659 P HA -0.244 nan 4.420 nan 0.000 0.218 659 P C 1.769 179.156 177.300 0.146 0.000 1.154 659 P CA 1.045 64.142 63.100 -0.005 0.000 0.872 659 P CB 0.278 31.905 31.700 -0.122 0.000 0.790 660 I N -1.143 119.638 120.570 0.352 0.000 2.226 660 I HA -0.220 3.942 4.170 -0.015 0.000 0.245 660 I C 2.578 178.762 176.117 0.112 0.000 1.100 660 I CA 1.005 62.437 61.300 0.221 0.000 1.374 660 I CB -1.737 36.364 38.000 0.167 0.000 1.057 660 I HN 0.109 nan 8.210 nan 0.000 0.413 661 C N 1.139 120.519 119.300 0.134 0.000 2.413 661 C HA -0.222 4.229 4.460 -0.015 0.000 0.276 661 C C 3.020 178.039 174.990 0.047 0.000 1.248 661 C CA 1.507 60.538 59.018 0.021 0.000 1.742 661 C CB -0.942 26.818 27.740 0.033 0.000 2.017 661 C HN 0.478 nan 8.230 nan 0.000 0.481 662 K N 0.346 120.850 120.400 0.172 0.000 2.057 662 K HA -0.057 4.254 4.320 -0.015 0.000 0.206 662 K C 2.140 178.850 176.600 0.183 0.000 1.050 662 K CA 1.529 57.979 56.287 0.272 0.000 0.935 662 K CB -0.362 32.303 32.500 0.276 0.000 0.715 662 K HN 0.470 nan 8.250 nan 0.000 0.439 663 A N 1.472 124.354 122.820 0.103 0.000 1.902 663 A HA -0.100 4.211 4.320 -0.015 0.000 0.217 663 A C 2.124 179.696 177.584 -0.020 0.000 1.181 663 A CA 1.267 53.332 52.037 0.048 0.000 0.623 663 A CB -0.552 18.471 19.000 0.039 0.000 0.818 663 A HN 0.325 nan 8.150 nan 0.000 0.443 664 L N -0.900 120.301 121.223 -0.037 0.000 2.109 664 L HA -0.097 4.234 4.340 -0.015 0.000 0.207 664 L C 2.456 179.243 176.870 -0.139 0.000 1.086 664 L CA 0.730 55.524 54.840 -0.076 0.000 0.760 664 L CB -0.448 41.568 42.059 -0.070 0.000 0.910 664 L HN 0.226 nan 8.230 nan 0.000 0.437 665 V N 0.088 119.888 119.914 -0.191 0.000 2.515 665 V HA -0.256 3.855 4.120 -0.015 0.000 0.250 665 V C 2.515 178.236 176.094 -0.622 0.000 1.058 665 V CA 1.574 63.652 62.300 -0.371 0.000 1.064 665 V CB -0.366 31.181 31.823 -0.460 0.000 0.675 665 V HN 0.405 nan 8.190 nan 0.000 0.461 666 K N -0.473 119.594 120.400 -0.555 0.000 2.217 666 K HA -0.193 4.118 4.320 -0.015 0.000 0.202 666 K C 2.182 178.603 176.600 -0.298 0.000 1.051 666 K CA 1.254 57.198 56.287 -0.571 0.000 0.952 666 K CB 0.028 32.448 32.500 -0.134 0.000 0.736 666 K HN 0.499 nan 8.250 nan 0.000 0.453 667 Q N 0.475 120.155 119.800 -0.200 0.000 2.049 667 Q HA -0.148 4.183 4.340 -0.015 0.000 0.198 667 Q C 1.154 177.074 176.000 -0.133 0.000 0.971 667 Q CA 1.713 57.440 55.803 -0.126 0.000 0.833 667 Q CB 0.213 28.900 28.738 -0.085 0.000 0.896 667 Q HN 0.321 nan 8.270 nan 0.000 0.434 668 D N 0.332 120.637 120.400 -0.160 0.000 2.178 668 D HA -0.126 4.505 4.640 -0.015 0.000 0.202 668 D C 1.676 177.900 176.300 -0.127 0.000 0.974 668 D CA 0.882 54.810 54.000 -0.120 0.000 0.841 668 D CB -0.019 40.720 40.800 -0.101 0.000 0.953 668 D HN 0.323 nan 8.370 nan 0.000 0.478 669 L N -0.281 120.820 121.223 -0.203 0.000 2.552 669 L HA 0.145 4.476 4.340 -0.015 0.000 0.227 669 L C 1.240 178.037 176.870 -0.121 0.000 1.146 669 L CA 0.378 55.113 54.840 -0.175 0.000 0.858 669 L CB -0.313 41.575 42.059 -0.285 0.000 0.969 669 L HN 0.071 nan 8.230 nan 0.000 0.451 670 G N 0.524 109.256 108.800 -0.113 0.000 2.212 670 G HA2 -0.199 3.752 3.960 -0.015 0.000 0.255 670 G HA3 -0.199 3.752 3.960 -0.015 0.000 0.255 670 G C 0.005 174.870 174.900 -0.059 0.000 1.062 670 G CA -0.214 44.844 45.100 -0.071 0.000 0.815 670 G HN 0.099 nan 8.290 nan 0.000 0.497 671 L N 0.000 121.178 121.223 -0.075 0.000 2.949 671 L HA 0.000 4.331 4.340 -0.015 0.000 0.249 671 L CA 0.000 54.818 54.840 -0.037 0.000 0.813 671 L CB 0.000 42.044 42.059 -0.026 0.000 0.961 671 L HN 0.000 nan 8.230 nan 0.000 0.502