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 2cek_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.648 174.600 0.080 0.000 1.055 4 S CA 0.000 58.232 58.200 0.053 0.000 1.107 4 S CB 0.000 63.231 63.200 0.051 0.000 0.593 5 E N 2.432 122.683 120.200 0.084 0.000 2.204 5 E HA -0.058 4.292 4.350 -0.001 0.000 0.195 5 E C 0.856 177.576 176.600 0.200 0.000 0.990 5 E CA 0.949 57.424 56.400 0.126 0.000 0.821 5 E CB 0.032 29.795 29.700 0.105 0.000 0.750 5 E HN 0.594 nan 8.360 nan 0.000 0.477 6 L N 1.180 122.489 121.223 0.144 0.000 2.591 6 L HA 0.184 4.523 4.340 -0.001 0.000 0.228 6 L C 0.503 177.548 176.870 0.292 0.000 1.133 6 L CA 0.323 55.247 54.840 0.140 0.000 0.880 6 L CB -0.373 41.676 42.059 -0.017 0.000 1.033 6 L HN 0.235 nan 8.230 nan 0.000 0.450 7 L N 1.085 122.454 121.223 0.244 0.000 2.305 7 L HA 0.511 4.851 4.340 -0.001 0.000 0.284 7 L C -0.882 176.075 176.870 0.144 0.000 1.013 7 L CA -0.162 54.806 54.840 0.213 0.000 0.819 7 L CB 1.980 44.111 42.059 0.120 0.000 1.227 7 L HN -0.270 nan 8.230 nan 0.000 0.417 8 V N 5.150 125.124 119.914 0.100 0.000 2.638 8 V HA 0.409 4.529 4.120 -0.001 0.000 0.306 8 V C -0.139 175.863 176.094 -0.152 0.000 1.052 8 V CA -0.855 61.343 62.300 -0.170 0.000 0.885 8 V CB 2.351 33.774 31.823 -0.666 0.000 0.999 8 V HN 0.738 nan 8.190 nan 0.000 0.424 9 N N 2.752 121.304 118.700 -0.248 0.000 2.462 9 N HA 0.472 5.212 4.740 -0.001 0.000 0.242 9 N C -0.032 175.131 175.510 -0.579 0.000 1.010 9 N CA -0.365 52.506 53.050 -0.298 0.000 0.939 9 N CB 1.551 39.867 38.487 -0.284 0.000 1.127 9 N HN 0.842 nan 8.380 nan 0.000 0.509 10 T N -1.088 113.228 114.554 -0.396 0.000 2.923 10 T HA 0.269 4.618 4.350 -0.001 0.000 0.281 10 T C 1.023 175.455 174.700 -0.446 0.000 0.995 10 T CA -0.685 61.152 62.100 -0.438 0.000 0.985 10 T CB 1.614 70.506 68.868 0.039 0.000 1.114 10 T HN 0.244 nan 8.240 nan 0.000 0.548 11 K N 0.201 120.398 120.400 -0.337 0.000 2.362 11 K HA 0.028 4.348 4.320 -0.001 0.000 0.200 11 K C 1.991 178.444 176.600 -0.246 0.000 1.046 11 K CA 0.820 56.958 56.287 -0.248 0.000 0.952 11 K CB -0.044 32.381 32.500 -0.125 0.000 0.753 11 K HN 0.437 nan 8.250 nan 0.000 0.466 12 S N -0.289 115.248 115.700 -0.270 0.000 2.517 12 S HA 0.190 4.659 4.470 -0.001 0.000 0.214 12 S C 0.510 174.420 174.600 -1.150 0.000 0.991 12 S CA 0.249 58.186 58.200 -0.437 0.000 0.906 12 S CB 0.956 64.104 63.200 -0.088 0.000 0.789 12 S HN 0.539 nan 8.310 nan 0.000 0.513 13 G N 1.068 109.320 108.800 -0.914 0.000 2.369 13 G HA2 0.136 4.096 3.960 -0.001 0.000 0.307 13 G HA3 0.136 4.096 3.960 -0.001 0.000 0.307 13 G C -1.889 172.862 174.900 -0.249 0.000 1.327 13 G CA -1.175 43.335 45.100 -0.984 0.000 0.963 13 G HN 0.107 nan 8.290 nan 0.000 0.590 14 K N -0.614 119.855 120.400 0.114 0.000 2.144 14 K HA 0.664 4.984 4.320 -0.001 0.000 0.270 14 K C -0.392 176.580 176.600 0.620 0.000 1.005 14 K CA -0.599 55.863 56.287 0.292 0.000 0.932 14 K CB 1.976 34.599 32.500 0.206 0.000 1.021 14 K HN 0.384 nan 8.250 nan 0.000 0.462 15 V N 2.663 122.867 119.914 0.484 0.000 2.789 15 V HA 0.373 4.493 4.120 -0.001 0.000 0.311 15 V C -1.023 175.359 176.094 0.481 0.000 1.073 15 V CA -0.991 61.651 62.300 0.570 0.000 0.921 15 V CB 1.825 34.038 31.823 0.650 0.000 1.009 15 V HN 0.716 nan 8.190 nan 0.000 0.426 16 M N 3.415 123.266 119.600 0.417 0.000 2.125 16 M HA 0.763 5.243 4.480 -0.001 0.000 0.321 16 M C 0.136 176.543 176.300 0.179 0.000 0.983 16 M CA -0.011 55.458 55.300 0.280 0.000 0.934 16 M CB 1.007 33.697 32.600 0.150 0.000 1.542 16 M HN 0.793 nan 8.290 nan 0.000 0.424 17 G N 1.564 110.346 108.800 -0.029 0.000 2.509 17 G HA2 0.623 4.583 3.960 -0.001 0.000 0.269 17 G HA3 0.623 4.583 3.960 -0.001 0.000 0.269 17 G C -1.036 173.658 174.900 -0.344 0.000 1.416 17 G CA -0.338 44.441 45.100 -0.536 0.000 1.052 17 G HN 0.678 nan 8.290 nan 0.000 0.542 18 T N -1.544 112.772 114.554 -0.396 0.000 2.916 18 T HA 0.499 4.848 4.350 -0.001 0.000 0.305 18 T C -0.705 173.879 174.700 -0.193 0.000 1.119 18 T CA -0.695 61.269 62.100 -0.226 0.000 1.008 18 T CB 1.472 70.232 68.868 -0.180 0.000 1.129 18 T HN 0.539 nan 8.240 nan 0.000 0.480 19 R N 2.949 123.384 120.500 -0.107 0.000 2.267 19 R HA 0.592 4.931 4.340 -0.001 0.000 0.319 19 R C -0.306 176.004 176.300 0.016 0.000 1.067 19 R CA -0.474 55.603 56.100 -0.038 0.000 0.936 19 R CB 0.281 30.557 30.300 -0.040 0.000 1.006 19 R HN 0.548 nan 8.270 nan 0.000 0.452 20 V N 2.847 122.790 119.914 0.048 0.000 2.628 20 V HA 0.694 4.813 4.120 -0.001 0.000 0.306 20 V C -2.475 173.626 176.094 0.013 0.000 1.045 20 V CA -2.632 59.689 62.300 0.035 0.000 0.905 20 V CB 1.680 33.513 31.823 0.016 0.000 0.997 20 V HN 0.748 nan 8.190 nan 0.000 0.436 21 P HA 0.427 nan 4.420 nan 0.000 0.278 21 P C -0.914 176.188 177.300 -0.330 0.000 1.238 21 P CA -0.173 62.706 63.100 -0.369 0.000 0.794 21 P CB 1.981 33.517 31.700 -0.273 0.000 0.955 22 V N 5.482 125.129 119.914 -0.445 0.000 2.697 22 V HA 0.140 4.259 4.120 -0.001 0.000 0.296 22 V C -0.075 175.748 176.094 -0.452 0.000 1.140 22 V CA -0.800 61.254 62.300 -0.410 0.000 0.921 22 V CB 0.759 32.289 31.823 -0.489 0.000 1.036 22 V HN 0.509 nan 8.190 nan 0.000 0.438 23 L N 5.869 126.976 121.223 -0.193 0.000 3.879 23 L HA -0.227 4.112 4.340 -0.001 0.000 0.481 23 L C 1.047 177.821 176.870 -0.161 0.000 1.232 23 L CA 0.969 55.741 54.840 -0.113 0.000 0.736 23 L CB -1.940 40.120 42.059 0.001 0.000 1.511 23 L HN 1.122 nan 8.230 nan 0.000 0.830 24 S N -2.556 113.039 115.700 -0.175 0.000 3.261 24 S HA -0.213 4.257 4.470 -0.001 0.000 0.287 24 S C 0.464 174.958 174.600 -0.178 0.000 1.281 24 S CA 1.484 59.601 58.200 -0.139 0.000 1.053 24 S CB -0.622 62.550 63.200 -0.046 0.000 1.251 24 S HN 0.868 nan 8.310 nan 0.000 0.659 25 S N -0.925 114.561 115.700 -0.358 0.000 3.132 25 S HA 0.868 5.337 4.470 -0.001 0.000 0.322 25 S C -1.274 172.982 174.600 -0.574 0.000 1.124 25 S CA -0.535 57.491 58.200 -0.289 0.000 0.906 25 S CB 1.095 64.158 63.200 -0.229 0.000 1.349 25 S HN 0.475 nan 8.310 nan 0.000 0.686 26 H N -0.567 118.419 119.070 -0.140 0.000 3.037 26 H HA 0.743 5.299 4.556 -0.001 0.000 0.355 26 H C -0.693 174.632 175.328 -0.006 0.000 1.263 26 H CA -0.292 55.705 56.048 -0.085 0.000 1.129 26 H CB 1.360 31.101 29.762 -0.036 0.000 1.861 26 H HN 0.744 nan 8.280 nan 0.000 0.546 27 I N -2.456 118.207 120.570 0.155 0.000 3.263 27 I HA 0.669 4.839 4.170 -0.001 0.000 0.314 27 I C -1.105 175.095 176.117 0.138 0.000 1.269 27 I CA -1.077 60.330 61.300 0.179 0.000 0.942 27 I CB 2.426 40.562 38.000 0.226 0.000 1.305 27 I HN 0.405 nan 8.210 nan 0.000 0.474 28 S N 1.338 117.130 115.700 0.154 0.000 2.541 28 S HA 0.830 5.300 4.470 -0.001 0.000 0.283 28 S C -0.281 174.305 174.600 -0.023 0.000 1.196 28 S CA -0.513 57.698 58.200 0.018 0.000 1.062 28 S CB 1.502 64.769 63.200 0.113 0.000 1.009 28 S HN 0.869 nan 8.310 nan 0.000 0.502 29 A N 2.259 124.883 122.820 -0.328 0.000 2.359 29 A HA 0.755 5.074 4.320 -0.001 0.000 0.303 29 A C -1.323 175.917 177.584 -0.573 0.000 1.066 29 A CA -0.647 51.145 52.037 -0.408 0.000 0.730 29 A CB 0.431 19.186 19.000 -0.409 0.000 1.211 29 A HN 0.652 nan 8.150 nan 0.000 0.439 30 F N 3.144 122.966 119.950 -0.214 0.000 2.359 30 F HA 0.465 4.992 4.527 -0.000 0.000 0.369 30 F C -0.088 175.593 175.800 -0.197 0.000 1.084 30 F CA -0.412 57.541 58.000 -0.080 0.000 1.096 30 F CB 1.080 40.139 39.000 0.098 0.000 1.335 30 F HN 0.365 nan 8.300 nan 0.000 0.457 31 L N 1.974 123.140 121.223 -0.095 0.000 2.343 31 L HA 0.704 5.044 4.340 -0.001 0.000 0.275 31 L C 1.054 177.943 176.870 0.032 0.000 1.056 31 L CA -0.971 53.804 54.840 -0.109 0.000 0.804 31 L CB 1.413 43.309 42.059 -0.272 0.000 1.203 31 L HN 0.812 nan 8.230 nan 0.000 0.440 32 G N 2.779 111.622 108.800 0.071 0.000 2.246 32 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.273 32 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.273 32 G C -0.075 174.895 174.900 0.117 0.000 1.055 32 G CA -0.322 44.813 45.100 0.058 0.000 0.851 32 G HN 0.482 nan 8.290 nan 0.000 0.500 33 I N 2.266 122.843 120.570 0.012 0.000 2.452 33 I HA 0.217 4.387 4.170 -0.001 0.000 0.287 33 I C -1.342 174.585 176.117 -0.316 0.000 1.079 33 I CA -2.015 59.120 61.300 -0.275 0.000 1.387 33 I CB 1.039 38.857 38.000 -0.304 0.000 1.404 33 I HN -0.000 nan 8.210 nan 0.000 0.522 34 P HA 0.058 nan 4.420 nan 0.000 0.281 34 P C -0.343 176.597 177.300 -0.599 0.000 1.252 34 P CA -0.031 62.602 63.100 -0.779 0.000 0.778 34 P CB 0.705 31.871 31.700 -0.891 0.000 0.895 35 F N 0.933 120.557 119.950 -0.545 0.000 2.746 35 F HA 0.743 5.270 4.527 -0.001 0.000 0.320 35 F C -0.072 175.635 175.800 -0.155 0.000 1.097 35 F CA -1.005 56.748 58.000 -0.411 0.000 1.195 35 F CB 0.051 38.781 39.000 -0.450 0.000 1.056 35 F HN 0.372 nan 8.300 nan 0.000 0.562 36 A N -0.031 122.509 122.820 -0.466 0.000 2.609 36 A HA 0.612 4.931 4.320 -0.001 0.000 0.291 36 A C -0.975 176.440 177.584 -0.282 0.000 1.096 36 A CA -0.777 51.115 52.037 -0.242 0.000 0.684 36 A CB 1.047 19.906 19.000 -0.236 0.000 1.282 36 A HN 0.046 nan 8.150 nan 0.000 0.412 37 E N 0.972 121.096 120.200 -0.127 0.000 2.373 37 E HA 0.297 4.646 4.350 -0.001 0.000 0.267 37 E C -2.359 174.158 176.600 -0.138 0.000 1.032 37 E CA -1.486 54.856 56.400 -0.096 0.000 0.889 37 E CB 0.161 29.848 29.700 -0.023 0.000 0.984 37 E HN 0.240 nan 8.360 nan 0.000 0.425 38 P HA -0.009 nan 4.420 nan 0.000 0.260 38 P C -2.194 175.058 177.300 -0.080 0.000 1.185 38 P CA -0.605 62.429 63.100 -0.110 0.000 0.763 38 P CB 0.006 31.678 31.700 -0.046 0.000 0.776 39 P HA 0.005 nan 4.420 nan 0.000 0.225 39 P C -0.296 176.962 177.300 -0.071 0.000 1.768 39 P CA 0.139 63.199 63.100 -0.066 0.000 0.943 39 P CB -0.102 31.562 31.700 -0.060 0.000 1.936 40 V N -2.516 117.362 119.914 -0.059 0.000 2.994 40 V HA 0.899 5.019 4.120 -0.001 0.000 0.318 40 V C 0.914 176.980 176.094 -0.047 0.000 1.085 40 V CA 0.148 62.413 62.300 -0.058 0.000 0.998 40 V CB 0.821 32.617 31.823 -0.044 0.000 1.063 40 V HN 0.552 nan 8.190 nan 0.000 0.447 41 G N 2.855 111.626 108.800 -0.048 0.000 2.561 41 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.289 41 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.289 41 G C 0.706 175.584 174.900 -0.036 0.000 1.169 41 G CA 1.074 46.154 45.100 -0.033 0.000 0.980 41 G HN 1.876 nan 8.290 nan 0.000 0.550 42 N N 0.455 119.151 118.700 -0.006 0.000 2.550 42 N HA 0.113 4.853 4.740 -0.001 0.000 0.186 42 N C 2.150 177.666 175.510 0.011 0.000 1.110 42 N CA 1.121 54.181 53.050 0.016 0.000 0.912 42 N CB -0.115 38.395 38.487 0.038 0.000 0.968 42 N HN 0.576 nan 8.380 nan 0.000 0.448 43 M N 0.439 120.032 119.600 -0.012 0.000 2.556 43 M HA 0.051 4.531 4.480 -0.001 0.000 0.245 43 M C 0.763 177.036 176.300 -0.045 0.000 1.128 43 M CA -0.058 55.236 55.300 -0.010 0.000 1.069 43 M CB 0.137 32.730 32.600 -0.013 0.000 1.469 43 M HN 0.143 nan 8.290 nan 0.000 0.494 44 R N 0.747 121.171 120.500 -0.125 0.000 2.522 44 R HA -0.070 4.269 4.340 -0.001 0.000 0.284 44 R C -0.440 175.684 176.300 -0.293 0.000 1.032 44 R CA 0.671 56.575 56.100 -0.327 0.000 1.049 44 R CB 0.164 30.130 30.300 -0.557 0.000 0.956 44 R HN 0.242 nan 8.270 nan 0.000 0.422 45 F N -0.294 119.674 119.950 0.029 0.000 2.517 45 F HA -0.281 4.245 4.527 -0.001 0.000 0.434 45 F C 0.442 176.240 175.800 -0.003 0.000 0.564 45 F CA 0.797 58.791 58.000 -0.009 0.000 1.414 45 F CB -1.402 37.581 39.000 -0.029 0.000 2.009 45 F HN 0.629 nan 8.300 nan 0.000 0.274 46 R N 1.187 121.771 120.500 0.140 0.000 2.577 46 R HA 0.537 4.876 4.340 -0.001 0.000 0.269 46 R C 0.689 177.031 176.300 0.069 0.000 1.084 46 R CA -0.930 55.227 56.100 0.096 0.000 1.163 46 R CB 0.615 30.956 30.300 0.068 0.000 1.100 46 R HN 0.092 nan 8.270 nan 0.000 0.547 47 R N 1.939 122.477 120.500 0.065 0.000 2.679 47 R HA 0.078 4.418 4.340 -0.001 0.000 0.268 47 R C -1.891 174.444 176.300 0.059 0.000 1.044 47 R CA -1.078 55.060 56.100 0.063 0.000 1.105 47 R CB -0.045 30.296 30.300 0.068 0.000 0.989 47 R HN 0.413 nan 8.270 nan 0.000 0.447 48 P HA 0.057 nan 4.420 nan 0.000 0.274 48 P C -0.929 176.413 177.300 0.070 0.000 1.231 48 P CA 0.009 63.149 63.100 0.067 0.000 0.790 48 P CB 0.904 32.669 31.700 0.109 0.000 0.951 49 E N 2.265 122.496 120.200 0.052 0.000 2.195 49 E HA 0.358 4.708 4.350 -0.001 0.000 0.271 49 E C -2.185 174.457 176.600 0.070 0.000 0.923 49 E CA -2.342 54.093 56.400 0.058 0.000 0.790 49 E CB 1.199 30.924 29.700 0.041 0.000 1.155 49 E HN 0.388 nan 8.360 nan 0.000 0.402 50 P HA -0.038 nan 4.420 nan 0.000 0.267 50 P C 0.002 177.365 177.300 0.106 0.000 1.200 50 P CA -0.193 62.987 63.100 0.133 0.000 0.772 50 P CB 0.772 32.555 31.700 0.139 0.000 0.855 51 K N 3.408 123.880 120.400 0.120 0.000 2.416 51 K HA 0.042 4.362 4.320 -0.001 0.000 0.283 51 K C 0.204 176.900 176.600 0.159 0.000 1.037 51 K CA 0.103 56.452 56.287 0.103 0.000 0.995 51 K CB 0.145 32.695 32.500 0.084 0.000 0.938 51 K HN 0.372 nan 8.250 nan 0.000 0.475 52 K N 5.236 125.722 120.400 0.143 0.000 2.451 52 K HA 0.063 4.382 4.320 -0.001 0.000 0.280 52 K C -2.184 174.530 176.600 0.190 0.000 1.020 52 K CA -1.272 55.098 56.287 0.138 0.000 1.008 52 K CB 0.008 32.581 32.500 0.123 0.000 0.917 52 K HN 0.372 nan 8.250 nan 0.000 0.478 53 P HA -0.101 nan 4.420 nan 0.000 0.266 53 P C -1.195 176.159 177.300 0.091 0.000 1.193 53 P CA 0.092 63.163 63.100 -0.048 0.000 0.770 53 P CB 0.268 31.893 31.700 -0.124 0.000 0.836 54 W N 1.103 122.479 121.300 0.127 0.000 2.706 54 W HA 0.742 5.401 4.660 -0.001 0.000 0.346 54 W C -0.558 176.037 176.519 0.127 0.000 1.071 54 W CA -1.028 56.409 57.345 0.153 0.000 1.206 54 W CB 0.420 30.037 29.460 0.262 0.000 1.413 54 W HN 0.191 nan 8.180 nan 0.000 0.542 55 S N 1.498 117.390 115.700 0.320 0.000 2.646 55 S HA 0.749 5.219 4.470 -0.001 0.000 0.276 55 S C 0.451 175.247 174.600 0.328 0.000 1.222 55 S CA 0.705 59.027 58.200 0.203 0.000 1.014 55 S CB 0.272 63.553 63.200 0.134 0.000 0.991 55 S HN 1.891 nan 8.310 nan 0.000 0.533 56 G N 1.240 110.179 108.800 0.231 0.000 2.632 56 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.224 56 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.224 56 G C -1.025 174.080 174.900 0.342 0.000 1.341 56 G CA -0.334 44.904 45.100 0.229 0.000 0.880 56 G HN 1.319 nan 8.290 nan 0.000 0.566 57 V N 0.768 120.839 119.914 0.261 0.000 2.417 57 V HA 0.516 4.635 4.120 -0.001 0.000 0.291 57 V C 0.259 176.492 176.094 0.232 0.000 1.024 57 V CA -0.532 61.948 62.300 0.300 0.000 0.861 57 V CB 1.759 33.690 31.823 0.179 0.000 0.985 57 V HN 0.717 nan 8.190 nan 0.000 0.436 58 W N 5.271 126.663 121.300 0.153 0.000 2.311 58 W HA 0.262 4.922 4.660 -0.000 0.000 0.310 58 W C 0.196 176.697 176.519 -0.030 0.000 1.274 58 W CA -0.535 56.724 57.345 -0.144 0.000 1.215 58 W CB 0.916 30.074 29.460 -0.503 0.000 1.227 58 W HN 0.705 nan 8.180 nan 0.000 0.523 59 N N 4.616 123.092 118.700 -0.374 0.000 2.402 59 N HA 0.227 4.966 4.740 -0.001 0.000 0.259 59 N C -0.345 175.179 175.510 0.024 0.000 1.167 59 N CA 0.204 53.159 53.050 -0.159 0.000 0.949 59 N CB 0.777 39.104 38.487 -0.266 0.000 1.212 59 N HN 0.341 nan 8.380 nan 0.000 0.493 60 A N 2.771 125.716 122.820 0.208 0.000 3.264 60 A HA 0.213 4.533 4.320 -0.001 0.000 0.299 60 A C 1.060 178.655 177.584 0.018 0.000 1.272 60 A CA -0.327 51.844 52.037 0.223 0.000 1.030 60 A CB -0.578 18.641 19.000 0.367 0.000 1.102 60 A HN 0.671 nan 8.150 nan 0.000 0.615 61 S N -0.902 114.767 115.700 -0.050 0.000 2.511 61 S HA 0.142 4.611 4.470 -0.001 0.000 0.214 61 S C 0.815 175.319 174.600 -0.160 0.000 0.997 61 S CA 0.654 58.780 58.200 -0.123 0.000 0.908 61 S CB -0.242 62.893 63.200 -0.108 0.000 0.803 61 S HN 0.821 nan 8.310 nan 0.000 0.504 62 T N -1.051 113.423 114.554 -0.134 0.000 2.906 62 T HA 0.641 4.991 4.350 -0.001 0.000 0.295 62 T C -0.812 173.834 174.700 -0.090 0.000 1.061 62 T CA -0.788 61.222 62.100 -0.149 0.000 1.000 62 T CB 0.715 69.524 68.868 -0.098 0.000 1.103 62 T HN 0.058 nan 8.240 nan 0.000 0.486 63 Y N 2.712 122.973 120.300 -0.065 0.000 2.652 63 Y HA 0.310 4.860 4.550 -0.001 0.000 0.344 63 Y C -1.373 174.459 175.900 -0.113 0.000 1.254 63 Y CA -1.159 56.904 58.100 -0.062 0.000 1.480 63 Y CB 0.057 38.502 38.460 -0.026 0.000 1.345 63 Y HN 0.552 nan 8.280 nan 0.000 0.617 64 P HA 0.131 nan 4.420 nan 0.000 0.297 64 P C -0.756 176.477 177.300 -0.112 0.000 1.307 64 P CA -0.577 62.407 63.100 -0.194 0.000 0.773 64 P CB 0.999 32.490 31.700 -0.348 0.000 1.265 65 N N 0.154 118.765 118.700 -0.150 0.000 2.444 65 N HA 0.127 4.867 4.740 -0.001 0.000 0.255 65 N C -0.014 175.471 175.510 -0.040 0.000 1.255 65 N CA 0.118 53.121 53.050 -0.078 0.000 0.933 65 N CB -0.046 38.402 38.487 -0.065 0.000 1.143 65 N HN 0.406 nan 8.380 nan 0.000 0.453 66 N N -0.622 118.039 118.700 -0.065 0.000 2.492 66 N HA 0.282 5.021 4.740 -0.001 0.000 0.289 66 N C -0.345 175.119 175.510 -0.076 0.000 1.133 66 N CA -0.661 52.343 53.050 -0.076 0.000 0.961 66 N CB 1.046 39.458 38.487 -0.125 0.000 1.186 66 N HN 0.407 nan 8.380 nan 0.000 0.493 67 c N 1.216 119.773 118.600 -0.072 0.000 2.727 67 c HA 0.023 4.593 4.570 -0.001 0.000 0.401 67 c C 0.724 174.723 174.090 -0.151 0.000 1.294 67 c CA -0.528 55.737 56.329 -0.106 0.000 2.134 67 c CB -0.127 42.345 42.510 -0.064 0.000 2.724 67 c HN 0.539 nan 8.230 nan 0.000 0.677 68 Q N 2.407 122.039 119.800 -0.279 0.000 2.300 68 Q HA 0.221 4.561 4.340 -0.001 0.000 0.280 68 Q C -0.040 175.918 176.000 -0.070 0.000 1.033 68 Q CA 0.957 56.593 55.803 -0.278 0.000 0.903 68 Q CB 0.494 28.840 28.738 -0.654 0.000 1.195 68 Q HN 0.883 nan 8.270 nan 0.000 0.386 69 Q N 1.282 121.108 119.800 0.044 0.000 2.633 69 Q HA 0.303 4.643 4.340 -0.001 0.000 0.289 69 Q C -1.349 174.771 176.000 0.200 0.000 0.940 69 Q CA -0.994 54.916 55.803 0.178 0.000 0.785 69 Q CB 0.725 29.526 28.738 0.106 0.000 1.467 69 Q HN 0.473 nan 8.270 nan 0.000 0.401 70 Y N 0.935 121.334 120.300 0.166 0.000 2.497 70 Y HA 0.374 4.923 4.550 -0.001 0.000 0.334 70 Y C -0.965 174.978 175.900 0.072 0.000 1.199 70 Y CA 0.295 58.455 58.100 0.098 0.000 1.425 70 Y CB 0.983 39.466 38.460 0.038 0.000 1.291 70 Y HN 0.441 nan 8.280 nan 0.000 0.562 71 V N 6.473 126.036 119.914 -0.585 0.000 2.409 71 V HA 0.128 4.248 4.120 -0.001 0.000 0.291 71 V C -0.666 175.110 176.094 -0.529 0.000 1.020 71 V CA -1.069 61.001 62.300 -0.384 0.000 0.848 71 V CB 1.437 33.116 31.823 -0.241 0.000 0.990 71 V HN 0.762 nan 8.190 nan 0.000 0.430 72 D N 3.856 124.163 120.400 -0.155 0.000 2.382 72 D HA 0.098 4.737 4.640 -0.001 0.000 0.259 72 D C 0.585 176.889 176.300 0.007 0.000 1.224 72 D CA 0.424 54.439 54.000 0.025 0.000 0.894 72 D CB 0.918 41.846 40.800 0.214 0.000 1.127 72 D HN 0.681 nan 8.370 nan 0.000 0.487 73 E N 2.448 122.633 120.200 -0.025 0.000 2.693 73 E HA -0.033 4.316 4.350 -0.001 0.000 0.214 73 E C 0.923 177.480 176.600 -0.071 0.000 0.990 73 E CA -0.133 56.246 56.400 -0.035 0.000 1.047 73 E CB 0.619 30.275 29.700 -0.073 0.000 1.039 73 E HN 0.402 nan 8.360 nan 0.000 0.475 74 Q N 0.064 119.791 119.800 -0.121 0.000 2.135 74 Q HA -0.102 4.237 4.340 -0.001 0.000 0.204 74 Q C -0.207 175.306 176.000 -0.811 0.000 0.981 74 Q CA 1.449 56.938 55.803 -0.525 0.000 0.856 74 Q CB 0.168 28.444 28.738 -0.769 0.000 0.902 74 Q HN 0.123 nan 8.270 nan 0.000 0.425 75 F N 0.167 120.183 119.950 0.110 0.000 2.622 75 F HA 0.415 4.942 4.527 -0.001 0.000 0.338 75 F C -2.266 173.598 175.800 0.107 0.000 1.334 75 F CA -3.067 54.974 58.000 0.069 0.000 1.179 75 F CB 0.994 40.026 39.000 0.053 0.000 1.471 75 F HN -0.134 nan 8.300 nan 0.000 0.576 76 P HA 0.117 nan 4.420 nan 0.000 0.258 76 P C 1.051 178.422 177.300 0.117 0.000 1.172 76 P CA 1.458 64.619 63.100 0.100 0.000 0.762 76 P CB 0.538 32.265 31.700 0.045 0.000 0.764 77 G N 2.941 111.796 108.800 0.092 0.000 2.253 77 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.251 77 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.251 77 G C 0.091 175.042 174.900 0.085 0.000 0.998 77 G CA -0.396 44.740 45.100 0.061 0.000 0.621 77 G HN 0.539 nan 8.290 nan 0.000 0.524 78 F N 3.451 123.385 119.950 -0.026 0.000 2.506 78 F HA 0.475 5.002 4.527 -0.001 0.000 0.371 78 F C 1.746 177.459 175.800 -0.144 0.000 1.078 78 F CA 0.047 57.978 58.000 -0.115 0.000 1.195 78 F CB 1.018 39.946 39.000 -0.120 0.000 1.099 78 F HN 0.275 nan 8.300 nan 0.000 0.548 79 S N 3.534 118.825 115.700 -0.683 0.000 2.399 79 S HA -0.117 4.353 4.470 -0.001 0.000 0.231 79 S C 2.263 176.419 174.600 -0.740 0.000 1.022 79 S CA 0.885 58.722 58.200 -0.606 0.000 0.983 79 S CB -1.282 61.608 63.200 -0.516 0.000 0.803 79 S HN 0.829 nan 8.310 nan 0.000 0.480 80 G N 1.848 109.750 108.800 -1.497 0.000 2.469 80 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.220 80 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.220 80 G C 1.745 176.739 174.900 0.158 0.000 1.136 80 G CA 1.529 46.017 45.100 -1.020 0.000 0.759 80 G HN 0.825 nan 8.290 nan 0.000 0.562 81 S N -0.451 115.386 115.700 0.229 0.000 2.475 81 S HA 0.130 4.599 4.470 -0.001 0.000 0.224 81 S C 1.840 176.614 174.600 0.291 0.000 1.042 81 S CA 0.629 59.210 58.200 0.635 0.000 0.935 81 S CB 0.024 63.751 63.200 0.879 0.000 0.801 81 S HN 0.257 nan 8.310 nan 0.000 0.509 82 E N 2.642 122.884 120.200 0.069 0.000 2.153 82 E HA -0.130 4.220 4.350 -0.001 0.000 0.194 82 E C 2.093 178.593 176.600 -0.166 0.000 0.988 82 E CA 1.413 57.793 56.400 -0.033 0.000 0.811 82 E CB -0.576 29.075 29.700 -0.081 0.000 0.746 82 E HN 0.873 nan 8.360 nan 0.000 0.466 83 M N -2.350 117.049 119.600 -0.334 0.000 2.539 83 M HA -0.074 4.406 4.480 -0.001 0.000 0.261 83 M C 1.186 177.049 176.300 -0.729 0.000 1.069 83 M CA 1.378 56.321 55.300 -0.595 0.000 1.081 83 M CB -0.476 31.638 32.600 -0.810 0.000 1.412 83 M HN 0.006 nan 8.290 nan 0.000 0.482 84 W N 0.662 121.851 121.300 -0.184 0.000 3.107 84 W HA 0.292 4.952 4.660 -0.001 0.000 0.293 84 W C 0.476 176.874 176.519 -0.202 0.000 1.239 84 W CA -0.932 56.278 57.345 -0.225 0.000 1.653 84 W CB -0.020 29.326 29.460 -0.190 0.000 1.068 84 W HN 0.092 nan 8.180 nan 0.000 0.615 85 N N 1.465 120.170 118.700 0.008 0.000 2.467 85 N HA 0.141 4.881 4.740 -0.001 0.000 0.262 85 N C -2.474 172.970 175.510 -0.110 0.000 1.234 85 N CA -1.427 51.600 53.050 -0.038 0.000 0.952 85 N CB -0.104 38.364 38.487 -0.031 0.000 1.158 85 N HN -0.358 nan 8.380 nan 0.000 0.463 86 P HA 0.059 nan 4.420 nan 0.000 0.264 86 P C -0.011 177.211 177.300 -0.129 0.000 1.193 86 P CA 0.228 63.246 63.100 -0.136 0.000 0.763 86 P CB 0.120 31.751 31.700 -0.115 0.000 0.810 87 N N 1.772 120.383 118.700 -0.148 0.000 2.204 87 N HA 0.104 4.843 4.740 -0.001 0.000 0.219 87 N C 0.115 175.567 175.510 -0.096 0.000 1.151 87 N CA -0.619 52.356 53.050 -0.126 0.000 0.867 87 N CB 0.428 38.826 38.487 -0.147 0.000 1.043 87 N HN 0.113 nan 8.380 nan 0.000 0.516 88 R N 0.690 121.131 120.500 -0.099 0.000 2.905 88 R HA 0.285 4.624 4.340 -0.001 0.000 0.260 88 R C -0.682 175.574 176.300 -0.074 0.000 1.086 88 R CA -0.735 55.321 56.100 -0.073 0.000 0.978 88 R CB 0.565 30.821 30.300 -0.074 0.000 1.215 88 R HN 0.206 nan 8.270 nan 0.000 0.480 89 E N 1.408 121.569 120.200 -0.065 0.000 2.392 89 E HA 0.100 4.449 4.350 -0.001 0.000 0.264 89 E C -0.456 176.101 176.600 -0.072 0.000 1.024 89 E CA -0.014 56.347 56.400 -0.065 0.000 0.903 89 E CB 0.678 30.342 29.700 -0.059 0.000 0.963 89 E HN 0.259 nan 8.360 nan 0.000 0.432 90 M N 2.402 121.957 119.600 -0.075 0.000 2.274 90 M HA 0.231 4.711 4.480 -0.001 0.000 0.344 90 M C -0.155 176.091 176.300 -0.091 0.000 1.161 90 M CA -0.007 55.240 55.300 -0.088 0.000 1.126 90 M CB 1.607 34.152 32.600 -0.090 0.000 1.522 90 M HN 0.431 nan 8.290 nan 0.000 0.461 91 S N 0.366 116.000 115.700 -0.110 0.000 2.558 91 S HA 0.191 4.660 4.470 -0.001 0.000 0.277 91 S C -0.047 174.462 174.600 -0.151 0.000 1.143 91 S CA -0.700 57.433 58.200 -0.111 0.000 0.865 91 S CB 1.315 64.477 63.200 -0.063 0.000 1.102 91 S HN 0.834 nan 8.310 nan 0.000 0.454 92 E N 0.972 121.062 120.200 -0.184 0.000 2.338 92 E HA -0.074 4.276 4.350 -0.001 0.000 0.197 92 E C -0.252 176.279 176.600 -0.115 0.000 1.007 92 E CA 0.499 56.767 56.400 -0.219 0.000 0.849 92 E CB 0.075 29.647 29.700 -0.214 0.000 0.774 92 E HN 0.518 nan 8.360 nan 0.000 0.506 93 D N 0.555 120.923 120.400 -0.052 0.000 2.517 93 D HA -0.004 4.636 4.640 -0.001 0.000 0.220 93 D C 0.086 176.467 176.300 0.136 0.000 1.158 93 D CA -0.277 53.737 54.000 0.022 0.000 0.992 93 D CB -0.116 40.719 40.800 0.058 0.000 1.058 93 D HN 0.142 nan 8.370 nan 0.000 0.516 94 c N 2.140 120.781 118.600 0.068 0.000 3.772 94 c HA 0.393 4.963 4.570 -0.001 0.000 0.293 94 c C 0.651 174.786 174.090 0.074 0.000 1.659 94 c CA -0.695 55.734 56.329 0.168 0.000 1.810 94 c CB -1.304 41.232 42.510 0.044 0.000 3.059 94 c HN 0.393 nan 8.230 nan 0.000 0.617 95 L N 2.619 123.621 121.223 -0.369 0.000 2.404 95 L HA 0.417 4.756 4.340 -0.001 0.000 0.277 95 L C -0.853 175.177 176.870 -1.401 0.000 1.184 95 L CA 0.535 54.908 54.840 -0.777 0.000 1.013 95 L CB -0.628 40.873 42.059 -0.929 0.000 1.318 95 L HN 0.373 nan 8.230 nan 0.000 0.435 96 Y N 2.338 122.457 120.300 -0.302 0.000 2.609 96 Y HA 0.690 5.239 4.550 -0.000 0.000 0.342 96 Y C -0.199 175.848 175.900 0.245 0.000 1.058 96 Y CA -1.289 56.736 58.100 -0.125 0.000 1.055 96 Y CB 1.916 40.322 38.460 -0.090 0.000 1.292 96 Y HN 0.217 nan 8.280 nan 0.000 0.476 97 L N -0.520 120.882 121.223 0.299 0.000 2.376 97 L HA 0.780 5.119 4.340 -0.001 0.000 0.258 97 L C -1.608 175.317 176.870 0.090 0.000 1.013 97 L CA -1.122 53.838 54.840 0.200 0.000 0.822 97 L CB 2.094 44.196 42.059 0.072 0.000 1.388 97 L HN 0.577 nan 8.230 nan 0.000 0.413 98 N N 1.144 119.900 118.700 0.092 0.000 2.272 98 N HA 0.844 5.584 4.740 -0.001 0.000 0.305 98 N C -1.403 174.038 175.510 -0.116 0.000 1.103 98 N CA -0.597 52.413 53.050 -0.066 0.000 0.791 98 N CB 2.576 41.007 38.487 -0.093 0.000 1.356 98 N HN 0.602 nan 8.380 nan 0.000 0.486 99 I N 0.494 120.917 120.570 -0.245 0.000 2.499 99 I HA 0.346 4.516 4.170 -0.001 0.000 0.288 99 I C -0.968 175.115 176.117 -0.057 0.000 1.048 99 I CA -0.644 60.611 61.300 -0.075 0.000 1.062 99 I CB 1.698 39.584 38.000 -0.191 0.000 1.238 99 I HN 0.359 nan 8.210 nan 0.000 0.426 100 W N 5.975 127.409 121.300 0.223 0.000 2.376 100 W HA 0.581 5.240 4.660 -0.001 0.000 0.312 100 W C -0.912 175.751 176.519 0.239 0.000 1.060 100 W CA -0.655 56.819 57.345 0.215 0.000 1.221 100 W CB 2.111 31.666 29.460 0.158 0.000 1.281 100 W HN 0.099 nan 8.180 nan 0.000 0.456 101 V N 5.191 125.381 119.914 0.459 0.000 2.487 101 V HA 0.278 4.397 4.120 -0.001 0.000 0.298 101 V C -2.006 174.288 176.094 0.333 0.000 1.028 101 V CA -2.408 60.133 62.300 0.402 0.000 0.860 101 V CB 1.925 34.052 31.823 0.507 0.000 0.991 101 V HN 0.258 nan 8.190 nan 0.000 0.427 102 P HA 0.093 nan 4.420 nan 0.000 0.269 102 P C -0.549 176.884 177.300 0.221 0.000 1.217 102 P CA 0.279 63.522 63.100 0.238 0.000 0.783 102 P CB 0.511 32.318 31.700 0.178 0.000 0.898 103 S N 1.414 117.240 115.700 0.210 0.000 2.561 103 S HA 0.528 4.998 4.470 -0.001 0.000 0.303 103 S C -2.496 172.194 174.600 0.149 0.000 1.110 103 S CA -1.538 56.767 58.200 0.175 0.000 1.034 103 S CB 0.157 63.458 63.200 0.169 0.000 1.010 103 S HN 0.260 nan 8.310 nan 0.000 0.482 104 P HA 0.158 nan 4.420 nan 0.000 0.269 104 P C -0.439 176.936 177.300 0.125 0.000 1.215 104 P CA -0.537 62.629 63.100 0.110 0.000 0.780 104 P CB 0.399 32.149 31.700 0.083 0.000 0.898 105 R N 2.678 123.261 120.500 0.137 0.000 2.504 105 R HA 0.064 4.404 4.340 -0.001 0.000 0.291 105 R C -1.925 174.446 176.300 0.118 0.000 0.974 105 R CA -0.779 55.413 56.100 0.153 0.000 1.077 105 R CB -0.453 29.940 30.300 0.155 0.000 0.926 105 R HN 0.370 nan 8.270 nan 0.000 0.407 106 P HA 0.068 nan 4.420 nan 0.000 0.273 106 P C -0.201 177.141 177.300 0.070 0.000 1.250 106 P CA -0.383 62.771 63.100 0.089 0.000 0.793 106 P CB 0.713 32.470 31.700 0.095 0.000 1.011 107 K N -0.529 119.899 120.400 0.046 0.000 2.190 107 K HA 0.150 4.470 4.320 -0.001 0.000 0.202 107 K C 0.548 177.154 176.600 0.010 0.000 1.045 107 K CA 0.973 57.276 56.287 0.027 0.000 0.976 107 K CB -0.207 32.304 32.500 0.018 0.000 0.849 107 K HN 0.334 nan 8.250 nan 0.000 0.468 108 S N 1.001 116.708 115.700 0.012 0.000 2.689 108 S HA 0.149 4.618 4.470 -0.001 0.000 0.151 108 S C -1.050 173.555 174.600 0.008 0.000 1.155 108 S CA -0.371 57.827 58.200 -0.003 0.000 1.144 108 S CB 0.330 63.516 63.200 -0.022 0.000 1.526 108 S HN 0.143 nan 8.310 nan 0.000 0.419 109 T N 1.880 116.450 114.554 0.027 0.000 2.948 109 T HA 0.585 4.934 4.350 -0.001 0.000 0.285 109 T C 0.173 174.892 174.700 0.031 0.000 1.019 109 T CA -0.046 62.073 62.100 0.032 0.000 1.013 109 T CB 1.186 70.085 68.868 0.052 0.000 1.117 109 T HN 0.452 nan 8.240 nan 0.000 0.533 110 T N 2.287 116.855 114.554 0.024 0.000 2.933 110 T HA 0.297 4.646 4.350 -0.001 0.000 0.306 110 T C -0.306 174.423 174.700 0.047 0.000 1.045 110 T CA -0.119 61.992 62.100 0.019 0.000 1.143 110 T CB 0.134 69.003 68.868 0.002 0.000 1.003 110 T HN 0.411 nan 8.240 nan 0.000 0.540 111 V N 5.032 124.978 119.914 0.054 0.000 2.555 111 V HA 0.507 4.627 4.120 -0.001 0.000 0.302 111 V C -0.064 176.093 176.094 0.105 0.000 1.038 111 V CA -0.781 61.574 62.300 0.092 0.000 0.887 111 V CB 1.763 33.643 31.823 0.095 0.000 0.991 111 V HN 0.834 nan 8.190 nan 0.000 0.434 112 M N 4.508 124.199 119.600 0.151 0.000 2.190 112 M HA 0.559 5.038 4.480 -0.001 0.000 0.312 112 M C -1.293 175.250 176.300 0.406 0.000 0.990 112 M CA -0.639 54.779 55.300 0.196 0.000 0.927 112 M CB 2.226 34.839 32.600 0.022 0.000 1.571 112 M HN 0.365 nan 8.290 nan 0.000 0.427 113 V N 3.231 123.416 119.914 0.453 0.000 2.357 113 V HA 0.327 4.446 4.120 -0.001 0.000 0.284 113 V C -0.757 175.615 176.094 0.463 0.000 1.018 113 V CA -0.629 61.913 62.300 0.404 0.000 0.841 113 V CB 1.408 33.345 31.823 0.191 0.000 0.991 113 V HN 0.857 nan 8.190 nan 0.000 0.437 114 W N 7.031 128.415 121.300 0.141 0.000 2.316 114 W HA 0.615 5.275 4.660 -0.000 0.000 0.311 114 W C -1.280 175.131 176.519 -0.180 0.000 1.217 114 W CA -0.725 56.457 57.345 -0.272 0.000 1.199 114 W CB 1.163 30.481 29.460 -0.237 0.000 1.202 114 W HN 0.440 nan 8.180 nan 0.000 0.528 115 I N 9.214 129.175 120.570 -1.013 0.000 2.382 115 I HA 0.066 4.236 4.170 -0.001 0.000 0.285 115 I C -0.243 175.100 176.117 -1.289 0.000 1.007 115 I CA -1.126 59.648 61.300 -0.877 0.000 1.142 115 I CB 0.688 38.346 38.000 -0.570 0.000 1.289 115 I HN 0.291 nan 8.210 nan 0.000 0.453 116 Y N 4.663 124.493 120.300 -0.783 0.000 2.457 116 Y HA 0.659 5.208 4.550 -0.001 0.000 0.341 116 Y C 0.743 176.483 175.900 -0.266 0.000 1.240 116 Y CA -0.885 56.878 58.100 -0.562 0.000 1.437 116 Y CB -0.087 38.309 38.460 -0.106 0.000 1.328 116 Y HN 0.526 nan 8.280 nan 0.000 0.588 117 G N -0.630 108.208 108.800 0.064 0.000 2.606 117 G HA2 0.491 4.451 3.960 -0.001 0.000 0.262 117 G HA3 0.491 4.451 3.960 -0.001 0.000 0.262 117 G C 0.267 175.146 174.900 -0.035 0.000 1.394 117 G CA -0.920 44.153 45.100 -0.045 0.000 1.044 117 G HN 1.741 nan 8.290 nan 0.000 0.553 118 G N -2.789 105.849 108.800 -0.270 0.000 2.192 118 G HA2 0.403 4.363 3.960 -0.001 0.000 0.152 118 G HA3 0.403 4.363 3.960 -0.001 0.000 0.152 118 G C 1.048 175.467 174.900 -0.802 0.000 1.057 118 G CA 0.673 45.482 45.100 -0.485 0.000 0.748 118 G HN 2.292 nan 8.290 nan 0.000 0.488 119 G N -0.490 107.860 108.800 -0.750 0.000 2.269 119 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.277 119 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.277 119 G C 0.948 175.612 174.900 -0.394 0.000 1.008 119 G CA 0.895 45.321 45.100 -1.124 0.000 0.774 119 G HN 1.782 nan 8.290 nan 0.000 0.511 120 F N -3.530 116.347 119.950 -0.122 0.000 2.871 120 F HA -0.317 4.209 4.527 -0.001 0.000 0.326 120 F C 1.475 177.445 175.800 0.283 0.000 0.675 120 F CA 2.177 60.244 58.000 0.110 0.000 1.188 120 F CB -2.036 36.907 39.000 -0.095 0.000 1.567 120 F HN 0.894 nan 8.300 nan 0.000 0.325 121 Y N -1.057 119.407 120.300 0.273 0.000 2.453 121 Y HA 0.652 5.202 4.550 -0.001 0.000 0.247 121 Y C 0.643 176.670 175.900 0.212 0.000 1.124 121 Y CA 0.258 58.560 58.100 0.337 0.000 1.243 121 Y CB -0.017 38.660 38.460 0.361 0.000 1.213 121 Y HN 0.091 nan 8.280 nan 0.000 0.523 122 S N -0.766 114.684 115.700 -0.417 0.000 2.727 122 S HA 0.893 5.362 4.470 -0.001 0.000 0.278 122 S C -0.220 174.195 174.600 -0.308 0.000 1.186 122 S CA -0.502 57.504 58.200 -0.323 0.000 0.836 122 S CB 1.460 64.381 63.200 -0.464 0.000 1.186 122 S HN 1.309 nan 8.310 nan 0.000 0.499 123 G N -0.406 108.179 108.800 -0.358 0.000 2.402 123 G HA2 0.432 4.392 3.960 -0.001 0.000 0.666 123 G HA3 0.432 4.392 3.960 -0.001 0.000 0.666 123 G C -1.073 173.174 174.900 -1.089 0.000 1.402 123 G CA -0.298 44.420 45.100 -0.636 0.000 0.920 123 G HN 1.365 nan 8.290 nan 0.000 0.651 124 S N -0.983 114.044 115.700 -1.123 0.000 2.541 124 S HA 0.687 5.157 4.470 -0.001 0.000 0.271 124 S C 0.856 175.293 174.600 -0.272 0.000 1.133 124 S CA 0.101 57.873 58.200 -0.714 0.000 0.876 124 S CB 1.796 64.794 63.200 -0.337 0.000 1.105 124 S HN 1.957 nan 8.310 nan 0.000 0.470 125 S N -0.255 115.490 115.700 0.074 0.000 2.593 125 S HA -0.021 4.449 4.470 -0.001 0.000 0.217 125 S C 1.271 175.980 174.600 0.182 0.000 0.966 125 S CA 0.701 59.146 58.200 0.408 0.000 0.914 125 S CB -0.540 62.936 63.200 0.460 0.000 0.776 125 S HN 0.830 nan 8.310 nan 0.000 0.523 126 T N 0.016 114.477 114.554 -0.156 0.000 3.069 126 T HA 0.410 4.760 4.350 -0.001 0.000 0.252 126 T C 0.507 174.940 174.700 -0.446 0.000 1.053 126 T CA -0.561 61.151 62.100 -0.647 0.000 0.964 126 T CB -0.550 67.764 68.868 -0.924 0.000 1.005 126 T HN 0.316 nan 8.240 nan 0.000 0.532 127 L N 2.156 123.194 121.223 -0.308 0.000 2.506 127 L HA 0.122 4.461 4.340 -0.001 0.000 0.281 127 L C 1.295 177.929 176.870 -0.392 0.000 1.228 127 L CA -0.383 54.182 54.840 -0.459 0.000 0.850 127 L CB 0.329 41.881 42.059 -0.845 0.000 1.110 127 L HN 0.109 nan 8.230 nan 0.000 0.496 128 D N 1.366 121.559 120.400 -0.346 0.000 2.182 128 D HA -0.145 4.495 4.640 -0.001 0.000 0.201 128 D C 1.914 178.026 176.300 -0.314 0.000 0.986 128 D CA 0.991 54.853 54.000 -0.230 0.000 0.847 128 D CB 0.184 40.862 40.800 -0.203 0.000 0.942 128 D HN 0.405 nan 8.370 nan 0.000 0.467 129 V N 0.329 119.912 119.914 -0.553 0.000 3.141 129 V HA -0.190 3.930 4.120 -0.001 0.000 0.265 129 V C 0.645 176.310 176.094 -0.716 0.000 1.126 129 V CA 1.083 63.016 62.300 -0.612 0.000 1.141 129 V CB -0.502 30.838 31.823 -0.805 0.000 0.743 129 V HN 0.134 nan 8.190 nan 0.000 0.492 130 Y N -0.829 119.040 120.300 -0.719 0.000 2.555 130 Y HA 0.411 4.960 4.550 -0.001 0.000 0.259 130 Y C 1.007 176.539 175.900 -0.615 0.000 1.179 130 Y CA -1.493 55.902 58.100 -1.175 0.000 1.230 130 Y CB -0.888 37.163 38.460 -0.681 0.000 1.146 130 Y HN 0.196 nan 8.280 nan 0.000 0.526 131 N N 1.591 120.172 118.700 -0.199 0.000 2.417 131 N HA -0.040 4.700 4.740 -0.001 0.000 0.272 131 N C 1.322 176.554 175.510 -0.463 0.000 1.304 131 N CA 0.673 53.594 53.050 -0.214 0.000 0.906 131 N CB 1.047 39.495 38.487 -0.065 0.000 1.135 131 N HN 0.487 nan 8.380 nan 0.000 0.483 132 G N 3.291 111.229 108.800 -1.436 0.000 2.920 132 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.208 132 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.208 132 G C 1.421 175.694 174.900 -1.045 0.000 1.159 132 G CA 0.332 44.764 45.100 -1.114 0.000 0.784 132 G HN 0.748 nan 8.290 nan 0.000 0.535 133 K N -0.437 119.178 120.400 -1.308 0.000 2.097 133 K HA -0.127 4.193 4.320 -0.001 0.000 0.206 133 K C 1.745 178.129 176.600 -0.361 0.000 1.049 133 K CA 1.049 56.925 56.287 -0.685 0.000 0.933 133 K CB -0.507 31.657 32.500 -0.559 0.000 0.717 133 K HN 0.302 nan 8.250 nan 0.000 0.442 134 Y N 1.258 121.473 120.300 -0.142 0.000 2.145 134 Y HA -0.143 4.407 4.550 -0.001 0.000 0.286 134 Y C 2.362 178.255 175.900 -0.012 0.000 1.145 134 Y CA 0.787 58.865 58.100 -0.035 0.000 1.148 134 Y CB -0.647 37.767 38.460 -0.077 0.000 0.981 134 Y HN 0.035 nan 8.280 nan 0.000 0.507 135 L N 0.207 121.458 121.223 0.046 0.000 2.027 135 L HA -0.047 4.292 4.340 -0.001 0.000 0.206 135 L C 2.367 179.246 176.870 0.015 0.000 1.074 135 L CA 1.887 56.708 54.840 -0.033 0.000 0.745 135 L CB -1.240 40.707 42.059 -0.188 0.000 0.898 135 L HN 0.142 nan 8.230 nan 0.000 0.433 136 A N -1.323 121.519 122.820 0.036 0.000 1.877 136 A HA -0.297 4.022 4.320 -0.001 0.000 0.216 136 A C 2.311 179.985 177.584 0.150 0.000 1.186 136 A CA 1.989 54.100 52.037 0.123 0.000 0.620 136 A CB -1.205 17.925 19.000 0.217 0.000 0.822 136 A HN 0.622 nan 8.150 nan 0.000 0.443 137 Y N 1.153 121.473 120.300 0.033 0.000 2.109 137 Y HA -0.161 4.389 4.550 -0.001 0.000 0.285 137 Y C 2.678 178.602 175.900 0.040 0.000 1.131 137 Y CA 2.375 60.500 58.100 0.041 0.000 1.121 137 Y CB -0.866 37.603 38.460 0.016 0.000 0.987 137 Y HN 0.292 nan 8.280 nan 0.000 0.495 138 T N 0.447 114.956 114.554 -0.076 0.000 2.746 138 T HA -0.134 4.216 4.350 -0.001 0.000 0.267 138 T C 1.325 175.949 174.700 -0.127 0.000 1.039 138 T CA 1.752 63.748 62.100 -0.174 0.000 1.142 138 T CB -0.122 68.740 68.868 -0.010 0.000 0.866 138 T HN 0.323 nan 8.240 nan 0.000 0.444 139 E N 0.537 120.714 120.200 -0.039 0.000 2.481 139 E HA 0.098 4.448 4.350 -0.001 0.000 0.198 139 E C 0.023 176.629 176.600 0.011 0.000 1.027 139 E CA 0.027 56.435 56.400 0.012 0.000 0.900 139 E CB 0.144 29.870 29.700 0.044 0.000 0.993 139 E HN 0.595 nan 8.360 nan 0.000 0.482 140 E N 0.192 120.388 120.200 -0.006 0.000 2.246 140 E HA -0.160 4.190 4.350 -0.001 0.000 0.211 140 E C -0.146 176.489 176.600 0.058 0.000 1.278 140 E CA 0.475 56.890 56.400 0.025 0.000 0.694 140 E CB -2.066 27.638 29.700 0.008 0.000 1.166 140 E HN 0.119 nan 8.360 nan 0.000 0.370 141 V N -3.574 116.387 119.914 0.079 0.000 3.001 141 V HA 0.664 4.784 4.120 -0.001 0.000 0.314 141 V C 0.322 176.503 176.094 0.144 0.000 1.099 141 V CA -1.122 61.233 62.300 0.090 0.000 0.989 141 V CB 2.353 34.214 31.823 0.063 0.000 1.040 141 V HN -0.012 nan 8.190 nan 0.000 0.434 142 V N 4.604 124.610 119.914 0.154 0.000 2.389 142 V HA 0.286 4.406 4.120 -0.001 0.000 0.264 142 V C 0.056 176.288 176.094 0.230 0.000 1.049 142 V CA -0.289 62.133 62.300 0.203 0.000 0.932 142 V CB 0.951 32.878 31.823 0.174 0.000 1.011 142 V HN 0.767 nan 8.190 nan 0.000 0.475 143 L N 7.786 129.200 121.223 0.318 0.000 2.264 143 L HA 0.593 4.932 4.340 -0.001 0.000 0.289 143 L C -0.437 176.733 176.870 0.500 0.000 1.044 143 L CA 0.218 55.293 54.840 0.392 0.000 0.807 143 L CB 1.628 43.909 42.059 0.369 0.000 1.192 143 L HN 0.386 nan 8.230 nan 0.000 0.425 144 V N 4.079 124.255 119.914 0.436 0.000 2.628 144 V HA 0.580 4.700 4.120 -0.001 0.000 0.306 144 V C -0.005 176.370 176.094 0.468 0.000 1.045 144 V CA -0.589 61.940 62.300 0.382 0.000 0.905 144 V CB 2.128 34.091 31.823 0.234 0.000 0.997 144 V HN 0.912 nan 8.190 nan 0.000 0.436 145 S N 4.741 120.720 115.700 0.466 0.000 2.605 145 S HA 0.797 5.267 4.470 -0.001 0.000 0.308 145 S C -0.831 173.964 174.600 0.325 0.000 1.113 145 S CA -0.765 57.730 58.200 0.491 0.000 1.049 145 S CB 1.435 65.037 63.200 0.669 0.000 1.001 145 S HN 0.696 nan 8.310 nan 0.000 0.480 146 L N 1.148 122.495 121.223 0.208 0.000 2.544 146 L HA 1.003 5.343 4.340 -0.001 0.000 0.256 146 L C 0.140 177.154 176.870 0.240 0.000 1.097 146 L CA -0.643 54.284 54.840 0.146 0.000 0.812 146 L CB 0.113 42.135 42.059 -0.061 0.000 1.440 146 L HN 0.881 nan 8.230 nan 0.000 0.496 147 S N -1.643 114.256 115.700 0.332 0.000 2.618 147 S HA 0.893 5.363 4.470 -0.001 0.000 0.277 147 S C -1.292 173.568 174.600 0.433 0.000 1.138 147 S CA -0.511 57.916 58.200 0.378 0.000 0.844 147 S CB 1.543 64.999 63.200 0.427 0.000 1.127 147 S HN 1.235 nan 8.310 nan 0.000 0.474 148 Y N -1.764 118.661 120.300 0.208 0.000 2.604 148 Y HA 0.677 5.226 4.550 -0.001 0.000 0.331 148 Y C -0.796 175.240 175.900 0.228 0.000 1.158 148 Y CA -1.397 56.816 58.100 0.188 0.000 1.056 148 Y CB 0.631 39.156 38.460 0.107 0.000 1.330 148 Y HN 0.785 nan 8.280 nan 0.000 0.457 149 R N 1.754 122.389 120.500 0.225 0.000 2.590 149 R HA 0.533 4.873 4.340 -0.001 0.000 0.274 149 R C -0.208 176.258 176.300 0.276 0.000 1.061 149 R CA -0.073 56.119 56.100 0.153 0.000 1.081 149 R CB 0.857 31.221 30.300 0.106 0.000 0.984 149 R HN 0.700 nan 8.270 nan 0.000 0.448 150 V N -0.455 119.654 119.914 0.325 0.000 3.158 150 V HA 0.908 5.027 4.120 -0.001 0.000 0.315 150 V C 0.632 177.098 176.094 0.621 0.000 1.148 150 V CA -0.145 62.490 62.300 0.558 0.000 1.042 150 V CB 1.210 33.257 31.823 0.372 0.000 1.101 150 V HN 0.981 nan 8.190 nan 0.000 0.448 151 G N 0.337 109.579 108.800 0.736 0.000 2.601 151 G HA2 0.075 4.035 3.960 -0.001 0.000 0.252 151 G HA3 0.075 4.035 3.960 -0.001 0.000 0.252 151 G C 0.964 176.131 174.900 0.446 0.000 1.294 151 G CA 0.849 46.362 45.100 0.688 0.000 0.912 151 G HN 2.236 nan 8.290 nan 0.000 0.574 152 A N -1.299 121.452 122.820 -0.114 0.000 1.940 152 A HA 0.198 4.518 4.320 -0.001 0.000 0.219 152 A C 2.240 179.756 177.584 -0.113 0.000 1.176 152 A CA 2.579 54.175 52.037 -0.735 0.000 0.631 152 A CB -0.535 17.832 19.000 -1.055 0.000 0.814 152 A HN 1.018 nan 8.150 nan 0.000 0.446 153 F N 0.089 120.140 119.950 0.169 0.000 2.154 153 F HA -0.100 4.427 4.527 -0.001 0.000 0.301 153 F C 2.451 178.296 175.800 0.074 0.000 1.087 153 F CA 1.352 59.424 58.000 0.120 0.000 1.274 153 F CB -0.638 38.376 39.000 0.024 0.000 1.009 153 F HN 0.302 nan 8.300 nan 0.000 0.485 154 G N -2.639 106.280 108.800 0.197 0.000 2.850 154 G HA2 0.072 4.031 3.960 -0.001 0.000 0.211 154 G HA3 0.072 4.031 3.960 -0.001 0.000 0.211 154 G C 0.713 175.132 174.900 -0.801 0.000 1.124 154 G CA 0.071 45.013 45.100 -0.264 0.000 0.769 154 G HN 0.329 nan 8.290 nan 0.000 0.535 155 F N -0.362 119.724 119.950 0.228 0.000 2.825 155 F HA 0.429 4.955 4.527 -0.001 0.000 0.322 155 F C 0.250 176.150 175.800 0.166 0.000 1.127 155 F CA -1.037 57.074 58.000 0.185 0.000 1.164 155 F CB 0.453 39.586 39.000 0.222 0.000 1.101 155 F HN -0.092 nan 8.300 nan 0.000 0.529 156 L N 2.328 123.596 121.223 0.075 0.000 2.513 156 L HA 0.472 4.811 4.340 -0.001 0.000 0.272 156 L C 0.166 177.036 176.870 -0.001 0.000 1.187 156 L CA 0.189 54.972 54.840 -0.095 0.000 0.895 156 L CB 0.201 41.888 42.059 -0.620 0.000 1.147 156 L HN 0.166 nan 8.230 nan 0.000 0.483 157 A N 7.001 129.872 122.820 0.086 0.000 2.311 157 A HA 0.659 4.979 4.320 -0.001 0.000 0.306 157 A C -0.837 176.777 177.584 0.050 0.000 1.189 157 A CA -0.489 51.592 52.037 0.074 0.000 0.791 157 A CB 0.621 19.691 19.000 0.117 0.000 1.172 157 A HN 0.715 nan 8.150 nan 0.000 0.481 158 L N 3.571 124.816 121.223 0.036 0.000 2.457 158 L HA 0.232 4.572 4.340 -0.001 0.000 0.252 158 L C -0.167 176.751 176.870 0.079 0.000 1.132 158 L CA -0.765 54.097 54.840 0.037 0.000 0.938 158 L CB 0.579 42.629 42.059 -0.016 0.000 1.246 158 L HN 0.903 nan 8.230 nan 0.000 0.476 159 H N 1.759 120.836 119.070 0.013 0.000 3.094 159 H HA 0.253 4.809 4.556 -0.001 0.000 0.320 159 H C 1.110 176.449 175.328 0.018 0.000 1.000 159 H CA 1.697 57.758 56.048 0.022 0.000 1.413 159 H CB 0.816 30.594 29.762 0.026 0.000 1.405 159 H HN 0.716 nan 8.280 nan 0.000 0.586 160 G N 2.767 111.315 108.800 -0.421 0.000 2.376 160 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.208 160 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.208 160 G C 0.281 175.100 174.900 -0.136 0.000 1.032 160 G CA 0.145 45.071 45.100 -0.290 0.000 0.641 160 G HN 1.075 nan 8.290 nan 0.000 0.503 161 S N 0.476 116.132 115.700 -0.074 0.000 2.585 161 S HA 0.670 5.140 4.470 -0.001 0.000 0.277 161 S C 0.726 175.318 174.600 -0.012 0.000 1.241 161 S CA -0.066 58.117 58.200 -0.029 0.000 1.041 161 S CB 1.975 65.170 63.200 -0.007 0.000 0.987 161 S HN 0.169 nan 8.310 nan 0.000 0.512 162 Q N 0.539 120.341 119.800 0.004 0.000 2.319 162 Q HA 0.185 4.525 4.340 -0.001 0.000 0.202 162 Q C 0.854 176.881 176.000 0.044 0.000 0.896 162 Q CA 0.306 56.122 55.803 0.021 0.000 0.942 162 Q CB 0.102 28.851 28.738 0.019 0.000 1.083 162 Q HN 0.740 nan 8.270 nan 0.000 0.510 163 E N 0.361 120.591 120.200 0.050 0.000 2.250 163 E HA 0.107 4.456 4.350 -0.001 0.000 0.192 163 E C 0.178 176.846 176.600 0.113 0.000 0.986 163 E CA 0.457 56.906 56.400 0.082 0.000 0.849 163 E CB 0.606 30.358 29.700 0.087 0.000 0.797 163 E HN 0.124 nan 8.360 nan 0.000 0.482 164 A N 1.708 124.569 122.820 0.068 0.000 3.409 164 A HA 0.276 4.596 4.320 -0.001 0.000 0.282 164 A C -2.039 175.563 177.584 0.030 0.000 1.064 164 A CA -0.841 51.222 52.037 0.043 0.000 0.889 164 A CB 0.629 19.573 19.000 -0.094 0.000 1.251 164 A HN -0.117 nan 8.150 nan 0.000 0.538 165 P HA 0.113 nan 4.420 nan 0.000 0.223 165 P C 0.921 178.287 177.300 0.109 0.000 1.151 165 P CA 1.887 65.037 63.100 0.082 0.000 0.787 165 P CB 0.223 31.971 31.700 0.080 0.000 0.788 166 G N 0.425 109.273 108.800 0.079 0.000 2.663 166 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.686 166 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.686 166 G C -0.095 174.840 174.900 0.059 0.000 1.288 166 G CA -0.261 44.894 45.100 0.091 0.000 0.836 166 G HN 0.114 nan 8.290 nan 0.000 0.584 167 N N -2.421 116.328 118.700 0.081 0.000 2.765 167 N HA -0.296 4.444 4.740 -0.001 0.000 0.248 167 N C 2.002 177.414 175.510 -0.163 0.000 1.063 167 N CA 2.629 55.667 53.050 -0.021 0.000 0.862 167 N CB -1.593 36.800 38.487 -0.156 0.000 1.145 167 N HN 1.946 nan 8.380 nan 0.000 0.581 168 V N -2.650 117.162 119.914 -0.169 0.000 2.720 168 V HA -0.017 4.103 4.120 -0.001 0.000 0.256 168 V C 2.254 178.245 176.094 -0.172 0.000 1.082 168 V CA 2.317 64.549 62.300 -0.114 0.000 1.101 168 V CB -0.902 30.898 31.823 -0.038 0.000 0.693 168 V HN 0.291 nan 8.190 nan 0.000 0.479 169 G N 0.237 108.735 108.800 -0.503 0.000 2.422 169 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.218 169 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.218 169 G C 1.525 176.439 174.900 0.024 0.000 1.140 169 G CA 0.991 45.915 45.100 -0.294 0.000 0.775 169 G HN 0.536 nan 8.290 nan 0.000 0.545 170 L N -0.136 121.067 121.223 -0.032 0.000 2.156 170 L HA 0.128 4.467 4.340 -0.001 0.000 0.208 170 L C 2.741 179.674 176.870 0.104 0.000 1.095 170 L CA 0.300 55.096 54.840 -0.074 0.000 0.770 170 L CB -0.194 41.510 42.059 -0.591 0.000 0.914 170 L HN 0.181 nan 8.230 nan 0.000 0.439 171 L N -0.706 120.568 121.223 0.085 0.000 2.156 171 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 171 L C 2.060 179.028 176.870 0.163 0.000 1.095 171 L CA 0.690 55.639 54.840 0.182 0.000 0.770 171 L CB -0.536 41.606 42.059 0.139 0.000 0.914 171 L HN 0.257 nan 8.230 nan 0.000 0.439 172 D N 0.039 120.534 120.400 0.158 0.000 2.097 172 D HA -0.192 4.447 4.640 -0.001 0.000 0.195 172 D C 2.275 178.661 176.300 0.143 0.000 0.989 172 D CA 1.141 55.293 54.000 0.253 0.000 0.827 172 D CB -0.139 40.853 40.800 0.319 0.000 0.966 172 D HN 0.368 nan 8.370 nan 0.000 0.456 173 Q N 0.154 120.003 119.800 0.082 0.000 2.061 173 Q HA -0.146 4.194 4.340 -0.001 0.000 0.204 173 Q C 2.298 178.220 176.000 -0.131 0.000 0.984 173 Q CA 1.096 56.863 55.803 -0.059 0.000 0.846 173 Q CB -0.073 28.659 28.738 -0.009 0.000 0.902 173 Q HN 0.194 nan 8.270 nan 0.000 0.421 174 R N 0.599 121.114 120.500 0.023 0.000 2.081 174 R HA -0.149 4.191 4.340 -0.001 0.000 0.235 174 R C 2.223 178.506 176.300 -0.030 0.000 1.131 174 R CA 1.504 57.598 56.100 -0.009 0.000 0.960 174 R CB -0.184 30.213 30.300 0.161 0.000 0.856 174 R HN 0.289 nan 8.270 nan 0.000 0.436 175 M N -0.000 119.606 119.600 0.010 0.000 2.159 175 M HA -0.122 4.358 4.480 -0.001 0.000 0.263 175 M C 2.104 178.343 176.300 -0.102 0.000 1.063 175 M CA 1.954 57.282 55.300 0.046 0.000 1.110 175 M CB -0.051 32.668 32.600 0.198 0.000 1.374 175 M HN 0.315 nan 8.290 nan 0.000 0.411 176 A N 0.410 122.925 122.820 -0.509 0.000 1.902 176 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 176 A C 1.971 179.437 177.584 -0.196 0.000 1.181 176 A CA 1.381 52.955 52.037 -0.772 0.000 0.623 176 A CB -0.962 17.361 19.000 -1.128 0.000 0.818 176 A HN 0.587 nan 8.150 nan 0.000 0.443 177 L N -1.059 120.072 121.223 -0.152 0.000 2.141 177 L HA -0.200 4.139 4.340 -0.001 0.000 0.209 177 L C 2.797 179.706 176.870 0.066 0.000 1.094 177 L CA 1.560 56.378 54.840 -0.037 0.000 0.763 177 L CB -0.419 41.579 42.059 -0.101 0.000 0.908 177 L HN 0.490 nan 8.230 nan 0.000 0.437 178 Q N -0.310 119.524 119.800 0.057 0.000 2.079 178 Q HA -0.240 4.100 4.340 -0.001 0.000 0.200 178 Q C 2.010 178.112 176.000 0.171 0.000 0.974 178 Q CA 1.772 57.626 55.803 0.087 0.000 0.840 178 Q CB -0.417 28.362 28.738 0.068 0.000 0.898 178 Q HN 0.455 nan 8.270 nan 0.000 0.430 179 W N -0.614 120.703 121.300 0.028 0.000 2.355 179 W HA -0.172 4.488 4.660 -0.001 0.000 0.309 179 W C 1.880 178.448 176.519 0.082 0.000 1.206 179 W CA 1.787 59.175 57.345 0.071 0.000 1.284 179 W CB -0.252 29.246 29.460 0.063 0.000 1.145 179 W HN 0.013 nan 8.180 nan 0.000 0.502 180 V N 0.073 120.194 119.914 0.346 0.000 2.343 180 V HA -0.383 3.737 4.120 -0.001 0.000 0.247 180 V C 2.560 178.697 176.094 0.071 0.000 1.051 180 V CA 2.361 64.794 62.300 0.221 0.000 1.036 180 V CB -1.307 30.631 31.823 0.191 0.000 0.654 180 V HN 0.368 nan 8.190 nan 0.000 0.451 181 H N 0.241 119.313 119.070 0.002 0.000 2.387 181 H HA -0.169 4.387 4.556 -0.001 0.000 0.299 181 H C 1.909 177.175 175.328 -0.103 0.000 1.090 181 H CA 2.071 58.097 56.048 -0.036 0.000 1.332 181 H CB -0.001 29.753 29.762 -0.014 0.000 1.386 181 H HN 0.428 nan 8.280 nan 0.000 0.516 182 D N -0.264 120.122 120.400 -0.024 0.000 2.213 182 D HA -0.058 4.581 4.640 -0.001 0.000 0.205 182 D C 1.182 177.315 176.300 -0.279 0.000 0.961 182 D CA 0.916 54.834 54.000 -0.136 0.000 0.853 182 D CB -0.098 40.643 40.800 -0.098 0.000 0.967 182 D HN 0.513 nan 8.370 nan 0.000 0.496 183 N N -0.661 117.793 118.700 -0.410 0.000 2.193 183 N HA 0.097 4.837 4.740 -0.001 0.000 0.210 183 N C 1.267 176.711 175.510 -0.110 0.000 1.215 183 N CA -0.201 52.652 53.050 -0.329 0.000 0.901 183 N CB 0.722 38.708 38.487 -0.835 0.000 1.060 183 N HN -0.111 nan 8.380 nan 0.000 0.508 184 I N 2.453 122.974 120.570 -0.082 0.000 2.530 184 I HA -0.292 3.877 4.170 -0.001 0.000 0.257 184 I C 2.396 178.529 176.117 0.026 0.000 1.179 184 I CA 1.341 62.701 61.300 0.101 0.000 1.440 184 I CB -0.259 37.770 38.000 0.049 0.000 1.087 184 I HN 0.272 nan 8.210 nan 0.000 0.440 185 Q N -0.586 119.039 119.800 -0.291 0.000 2.181 185 Q HA -0.252 4.088 4.340 -0.001 0.000 0.205 185 Q C 1.907 177.685 176.000 -0.369 0.000 0.980 185 Q CA 1.800 57.363 55.803 -0.399 0.000 0.862 185 Q CB -0.889 27.466 28.738 -0.638 0.000 0.905 185 Q HN 0.429 nan 8.270 nan 0.000 0.429 186 F N -0.187 119.718 119.950 -0.074 0.000 2.604 186 F HA 0.079 4.605 4.527 -0.001 0.000 0.298 186 F C 0.952 176.541 175.800 -0.352 0.000 1.131 186 F CA 0.372 58.229 58.000 -0.238 0.000 1.457 186 F CB -0.131 38.644 39.000 -0.375 0.000 1.095 186 F HN 0.009 nan 8.300 nan 0.000 0.574 187 F N -0.607 119.356 119.950 0.020 0.000 2.664 187 F HA 0.423 4.949 4.527 -0.001 0.000 0.303 187 F C 1.758 177.576 175.800 0.030 0.000 1.092 187 F CA 0.280 58.274 58.000 -0.010 0.000 1.305 187 F CB 0.012 38.979 39.000 -0.054 0.000 1.054 187 F HN 0.028 nan 8.300 nan 0.000 0.565 188 G N 0.255 109.136 108.800 0.135 0.000 2.157 188 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.239 188 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.239 188 G C 0.582 175.530 174.900 0.080 0.000 0.982 188 G CA -0.269 44.887 45.100 0.093 0.000 0.650 188 G HN 0.717 nan 8.290 nan 0.000 0.527 189 G N -0.476 108.376 108.800 0.085 0.000 2.425 189 G HA2 0.497 4.457 3.960 -0.001 0.000 0.302 189 G HA3 0.497 4.457 3.960 -0.001 0.000 0.302 189 G C -0.757 174.136 174.900 -0.012 0.000 1.159 189 G CA 0.280 45.413 45.100 0.056 0.000 0.865 189 G HN 0.266 nan 8.290 nan 0.000 0.515 190 D N 1.558 121.952 120.400 -0.011 0.000 2.443 190 D HA 0.268 4.908 4.640 -0.001 0.000 0.221 190 D C -0.976 175.295 176.300 -0.049 0.000 1.097 190 D CA -2.427 51.547 54.000 -0.044 0.000 0.865 190 D CB 1.830 42.613 40.800 -0.029 0.000 1.034 190 D HN 0.077 nan 8.370 nan 0.000 0.511 191 P HA -0.165 nan 4.420 nan 0.000 0.225 191 P C 0.655 177.920 177.300 -0.060 0.000 1.148 191 P CA 0.889 63.921 63.100 -0.113 0.000 0.779 191 P CB 0.062 31.594 31.700 -0.280 0.000 0.780 192 K N -0.873 119.493 120.400 -0.058 0.000 2.404 192 K HA 0.130 4.449 4.320 -0.001 0.000 0.194 192 K C 0.007 176.598 176.600 -0.014 0.000 1.023 192 K CA 0.335 56.605 56.287 -0.028 0.000 1.094 192 K CB -0.275 32.200 32.500 -0.042 0.000 0.841 192 K HN -0.151 nan 8.250 nan 0.000 0.523 193 T N 1.520 116.069 114.554 -0.008 0.000 3.630 193 T HA 0.237 4.587 4.350 -0.001 0.000 0.238 193 T C -0.903 173.811 174.700 0.024 0.000 1.195 193 T CA -0.547 61.549 62.100 -0.007 0.000 1.433 193 T CB 0.786 69.640 68.868 -0.024 0.000 0.940 193 T HN -0.077 nan 8.240 nan 0.000 0.641 194 V N 1.987 121.941 119.914 0.067 0.000 2.394 194 V HA 0.459 4.579 4.120 -0.001 0.000 0.282 194 V C 0.389 176.579 176.094 0.159 0.000 1.031 194 V CA -0.423 61.946 62.300 0.115 0.000 0.881 194 V CB 1.557 33.471 31.823 0.152 0.000 0.982 194 V HN 0.478 nan 8.190 nan 0.000 0.451 195 T N 6.543 121.178 114.554 0.134 0.000 2.770 195 T HA 0.563 4.913 4.350 -0.001 0.000 0.283 195 T C -0.089 174.725 174.700 0.190 0.000 0.988 195 T CA -0.166 62.026 62.100 0.154 0.000 0.957 195 T CB 0.686 69.601 68.868 0.078 0.000 0.930 195 T HN 0.612 nan 8.240 nan 0.000 0.443 196 I N 1.960 122.607 120.570 0.127 0.000 2.396 196 I HA 0.837 5.007 4.170 -0.001 0.000 0.292 196 I C -0.779 175.486 176.117 0.245 0.000 0.999 196 I CA -0.893 60.460 61.300 0.089 0.000 1.310 196 I CB 0.715 38.546 38.000 -0.282 0.000 1.404 196 I HN 0.479 nan 8.210 nan 0.000 0.496 197 F N 3.348 123.324 119.950 0.043 0.000 2.601 197 F HA 1.002 5.528 4.527 -0.001 0.000 0.309 197 F C -0.441 175.342 175.800 -0.029 0.000 1.089 197 F CA -1.201 56.861 58.000 0.103 0.000 0.940 197 F CB 1.361 40.536 39.000 0.292 0.000 1.273 197 F HN 0.826 nan 8.300 nan 0.000 0.450 198 G N 1.154 109.829 108.800 -0.209 0.000 2.623 198 G HA2 0.499 4.459 3.960 -0.001 0.000 0.290 198 G HA3 0.499 4.459 3.960 -0.001 0.000 0.290 198 G C -2.516 172.182 174.900 -0.336 0.000 1.437 198 G CA -0.797 43.797 45.100 -0.845 0.000 0.798 198 G HN 0.862 nan 8.290 nan 0.000 0.488 199 E N 0.227 120.197 120.200 -0.384 0.000 2.238 199 E HA 0.635 4.984 4.350 -0.001 0.000 0.267 199 E C 0.623 177.199 176.600 -0.040 0.000 0.887 199 E CA 0.297 56.703 56.400 0.011 0.000 0.769 199 E CB 2.127 31.989 29.700 0.270 0.000 1.187 199 E HN 0.885 nan 8.360 nan 0.000 0.416 200 S N 2.720 118.469 115.700 0.082 0.000 4.059 200 S HA -0.387 4.082 4.470 -0.001 0.000 0.624 200 S C 1.459 176.177 174.600 0.198 0.000 2.019 200 S CA 2.064 60.392 58.200 0.213 0.000 4.197 200 S CB -1.622 61.640 63.200 0.104 0.000 0.215 200 S HN 1.015 nan 8.310 nan 0.000 0.609 201 A N 0.888 123.732 122.820 0.040 0.000 2.032 201 A HA 0.110 4.430 4.320 -0.001 0.000 0.221 201 A C 2.383 179.730 177.584 -0.395 0.000 1.165 201 A CA 2.477 54.339 52.037 -0.291 0.000 0.645 201 A CB -1.487 16.965 19.000 -0.914 0.000 0.807 201 A HN 1.594 nan 8.150 nan 0.000 0.453 202 G N -0.981 107.646 108.800 -0.288 0.000 2.430 202 G HA2 0.152 4.111 3.960 -0.001 0.000 0.216 202 G HA3 0.152 4.111 3.960 -0.001 0.000 0.216 202 G C 1.402 176.134 174.900 -0.280 0.000 1.146 202 G CA 1.055 45.935 45.100 -0.367 0.000 0.793 202 G HN 0.643 nan 8.290 nan 0.000 0.537 203 G N 1.020 109.723 108.800 -0.162 0.000 2.403 203 G HA2 0.136 4.096 3.960 -0.001 0.000 0.216 203 G HA3 0.136 4.096 3.960 -0.001 0.000 0.216 203 G C 2.000 176.817 174.900 -0.138 0.000 1.154 203 G CA 1.334 46.371 45.100 -0.105 0.000 0.784 203 G HN 0.539 nan 8.290 nan 0.000 0.538 204 A N 0.945 123.707 122.820 -0.097 0.000 1.902 204 A HA 0.010 4.330 4.320 -0.001 0.000 0.217 204 A C 2.689 180.216 177.584 -0.095 0.000 1.181 204 A CA 2.234 54.191 52.037 -0.133 0.000 0.623 204 A CB -0.665 18.294 19.000 -0.068 0.000 0.818 204 A HN 0.292 nan 8.150 nan 0.000 0.443 205 S N -0.435 115.225 115.700 -0.066 0.000 2.359 205 S HA -0.155 4.314 4.470 -0.001 0.000 0.224 205 S C 1.922 176.450 174.600 -0.120 0.000 1.035 205 S CA 1.478 59.620 58.200 -0.097 0.000 1.018 205 S CB -0.556 62.541 63.200 -0.172 0.000 0.876 205 S HN 0.347 nan 8.310 nan 0.000 0.448 206 V N 1.622 121.473 119.914 -0.104 0.000 2.287 206 V HA -0.208 3.911 4.120 -0.001 0.000 0.248 206 V C 2.623 178.665 176.094 -0.087 0.000 1.053 206 V CA 2.072 64.318 62.300 -0.090 0.000 1.027 206 V CB -1.503 30.243 31.823 -0.129 0.000 0.646 206 V HN 0.609 nan 8.190 nan 0.000 0.447 207 G N -0.994 107.698 108.800 -0.180 0.000 2.442 207 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.219 207 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.219 207 G C 1.592 176.472 174.900 -0.034 0.000 1.141 207 G CA 1.105 46.056 45.100 -0.247 0.000 0.763 207 G HN 0.466 nan 8.290 nan 0.000 0.554 208 M N -0.214 119.388 119.600 0.005 0.000 2.229 208 M HA 0.011 4.491 4.480 -0.001 0.000 0.264 208 M C 2.229 178.649 176.300 0.199 0.000 1.063 208 M CA 0.864 56.305 55.300 0.235 0.000 1.114 208 M CB -0.257 32.498 32.600 0.259 0.000 1.387 208 M HN 0.189 nan 8.290 nan 0.000 0.420 209 H N -0.194 118.999 119.070 0.205 0.000 2.470 209 H HA 0.075 4.631 4.556 -0.001 0.000 0.289 209 H C 2.079 177.609 175.328 0.336 0.000 1.033 209 H CA 1.141 57.302 56.048 0.188 0.000 1.331 209 H CB -0.095 29.671 29.762 0.006 0.000 1.414 209 H HN 0.420 nan 8.280 nan 0.000 0.545 210 I N 0.334 121.166 120.570 0.436 0.000 2.353 210 I HA -0.214 3.955 4.170 -0.001 0.000 0.248 210 I C 2.191 178.551 176.117 0.405 0.000 1.119 210 I CA 0.762 62.371 61.300 0.514 0.000 1.417 210 I CB -0.010 38.235 38.000 0.408 0.000 1.078 210 I HN 0.119 nan 8.210 nan 0.000 0.421 211 L N -0.517 120.911 121.223 0.342 0.000 2.068 211 L HA -0.045 4.294 4.340 -0.001 0.000 0.204 211 L C 1.552 178.545 176.870 0.205 0.000 1.076 211 L CA 0.335 55.379 54.840 0.339 0.000 0.753 211 L CB -0.295 41.996 42.059 0.388 0.000 0.910 211 L HN 0.077 nan 8.230 nan 0.000 0.439 212 S N 0.235 115.972 115.700 0.061 0.000 2.509 212 S HA 0.060 4.529 4.470 -0.001 0.000 0.287 212 S C -1.492 172.998 174.600 -0.183 0.000 1.248 212 S CA -1.267 56.767 58.200 -0.277 0.000 1.089 212 S CB 0.801 63.387 63.200 -1.023 0.000 0.900 212 S HN -0.065 nan 8.310 nan 0.000 0.496 213 P HA -0.054 nan 4.420 nan 0.000 0.216 213 P C 1.389 178.610 177.300 -0.132 0.000 1.150 213 P CA 1.147 64.185 63.100 -0.104 0.000 0.843 213 P CB -0.094 31.552 31.700 -0.091 0.000 0.787 214 G N -1.662 107.009 108.800 -0.215 0.000 2.679 214 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.212 214 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.212 214 G C 1.285 176.107 174.900 -0.130 0.000 1.137 214 G CA 0.520 45.510 45.100 -0.182 0.000 0.787 214 G HN 0.233 nan 8.290 nan 0.000 0.534 215 S N -0.637 115.007 115.700 -0.092 0.000 2.575 215 S HA 0.126 4.595 4.470 -0.001 0.000 0.230 215 S C 2.129 176.823 174.600 0.157 0.000 1.062 215 S CA -0.471 57.777 58.200 0.079 0.000 0.913 215 S CB 0.257 63.621 63.200 0.274 0.000 0.837 215 S HN 0.325 nan 8.310 nan 0.000 0.487 216 R N 2.011 122.548 120.500 0.062 0.000 2.140 216 R HA -0.154 4.186 4.340 -0.001 0.000 0.250 216 R C 0.809 176.918 176.300 -0.319 0.000 1.150 216 R CA 1.839 57.872 56.100 -0.111 0.000 0.966 216 R CB -0.505 29.749 30.300 -0.076 0.000 0.869 216 R HN 0.301 nan 8.270 nan 0.000 0.445 217 D N 0.277 120.570 120.400 -0.179 0.000 2.363 217 D HA -0.025 4.614 4.640 -0.001 0.000 0.220 217 D C 1.328 177.536 176.300 -0.154 0.000 0.994 217 D CA 0.712 54.604 54.000 -0.180 0.000 0.890 217 D CB 0.084 40.800 40.800 -0.140 0.000 0.906 217 D HN 0.258 nan 8.370 nan 0.000 0.530 218 L N -0.175 121.001 121.223 -0.078 0.000 2.612 218 L HA 0.173 4.513 4.340 -0.001 0.000 0.230 218 L C -0.114 176.899 176.870 0.238 0.000 1.140 218 L CA -0.103 54.765 54.840 0.047 0.000 0.896 218 L CB -0.368 41.728 42.059 0.061 0.000 1.065 218 L HN -0.059 nan 8.230 nan 0.000 0.447 219 F N -4.409 115.555 119.950 0.024 0.000 2.713 219 F HA 0.566 5.092 4.527 -0.001 0.000 0.311 219 F C 0.362 176.188 175.800 0.044 0.000 1.141 219 F CA -1.346 56.678 58.000 0.040 0.000 0.939 219 F CB 1.147 40.167 39.000 0.034 0.000 1.325 219 F HN -0.403 nan 8.300 nan 0.000 0.453 220 R N 0.964 121.550 120.500 0.144 0.000 2.062 220 R HA 0.417 4.757 4.340 -0.001 0.000 0.218 220 R C 0.051 176.409 176.300 0.097 0.000 1.161 220 R CA 1.477 57.593 56.100 0.027 0.000 0.994 220 R CB 0.143 30.456 30.300 0.022 0.000 0.888 220 R HN 0.855 nan 8.270 nan 0.000 0.442 221 R N -1.469 119.178 120.500 0.246 0.000 2.885 221 R HA 0.821 5.161 4.340 -0.001 0.000 0.260 221 R C -1.477 175.067 176.300 0.407 0.000 1.107 221 R CA -0.827 55.436 56.100 0.272 0.000 0.978 221 R CB 1.419 31.711 30.300 -0.013 0.000 1.227 221 R HN 0.092 nan 8.270 nan 0.000 0.473 222 A N 0.755 123.811 122.820 0.394 0.000 2.539 222 A HA 0.728 5.048 4.320 -0.001 0.000 0.296 222 A C -1.174 176.524 177.584 0.191 0.000 1.073 222 A CA -0.937 51.255 52.037 0.259 0.000 0.700 222 A CB 1.585 20.681 19.000 0.160 0.000 1.296 222 A HN 0.620 nan 8.150 nan 0.000 0.405 223 I N 1.371 122.001 120.570 0.100 0.000 2.466 223 I HA 0.381 4.551 4.170 -0.001 0.000 0.289 223 I C -1.526 174.624 176.117 0.055 0.000 1.026 223 I CA -0.571 60.711 61.300 -0.030 0.000 1.078 223 I CB 1.879 39.827 38.000 -0.086 0.000 1.249 223 I HN 0.405 nan 8.210 nan 0.000 0.429 224 L N 6.611 127.836 121.223 0.002 0.000 2.325 224 L HA 0.454 4.793 4.340 -0.001 0.000 0.281 224 L C -0.461 176.480 176.870 0.118 0.000 1.004 224 L CA -0.259 54.592 54.840 0.019 0.000 0.823 224 L CB 1.559 43.561 42.059 -0.095 0.000 1.236 224 L HN 0.494 nan 8.230 nan 0.000 0.415 225 Q N 1.844 121.772 119.800 0.214 0.000 2.348 225 Q HA 0.481 4.821 4.340 -0.001 0.000 0.265 225 Q C 0.022 176.166 176.000 0.241 0.000 0.998 225 Q CA -0.586 55.423 55.803 0.343 0.000 0.831 225 Q CB 1.545 30.597 28.738 0.524 0.000 1.251 225 Q HN 0.642 nan 8.270 nan 0.000 0.456 226 S N 0.993 116.828 115.700 0.225 0.000 3.614 226 S HA -0.169 4.301 4.470 -0.001 0.000 0.360 226 S C 0.031 174.808 174.600 0.295 0.000 1.023 226 S CA 0.606 58.966 58.200 0.266 0.000 1.114 226 S CB -1.161 62.243 63.200 0.340 0.000 0.907 226 S HN 0.985 nan 8.310 nan 0.000 0.470 227 G N -0.376 108.524 108.800 0.167 0.000 2.596 227 G HA2 0.608 4.568 3.960 -0.001 0.000 0.296 227 G HA3 0.608 4.568 3.960 -0.001 0.000 0.296 227 G C -1.009 173.845 174.900 -0.078 0.000 1.513 227 G CA 0.114 45.306 45.100 0.153 0.000 0.851 227 G HN 1.117 nan 8.290 nan 0.000 0.548 228 S N 0.989 116.564 115.700 -0.209 0.000 2.556 228 S HA 0.781 5.251 4.470 -0.001 0.000 0.271 228 S C -2.027 172.289 174.600 -0.473 0.000 1.135 228 S CA -1.066 56.865 58.200 -0.449 0.000 0.858 228 S CB 3.039 65.986 63.200 -0.423 0.000 1.114 228 S HN 0.448 nan 8.310 nan 0.000 0.468 229 P HA -0.179 nan 4.420 nan 0.000 0.218 229 P C 0.653 177.721 177.300 -0.388 0.000 1.148 229 P CA 1.735 64.602 63.100 -0.389 0.000 0.822 229 P CB -0.567 30.947 31.700 -0.311 0.000 0.784 230 N N -1.450 117.053 118.700 -0.329 0.000 2.449 230 N HA 0.021 4.761 4.740 -0.001 0.000 0.191 230 N C 0.153 175.432 175.510 -0.384 0.000 1.161 230 N CA -0.348 52.541 53.050 -0.268 0.000 0.863 230 N CB -0.708 37.740 38.487 -0.064 0.000 0.980 230 N HN -0.051 nan 8.380 nan 0.000 0.458 231 C N 2.564 121.520 119.300 -0.572 0.000 2.634 231 C HA 0.050 4.510 4.460 -0.001 0.000 0.417 231 C C -0.119 174.382 174.990 -0.814 0.000 1.334 231 C CA -1.105 57.423 59.018 -0.816 0.000 1.829 231 C CB 0.894 27.790 27.740 -1.407 0.000 2.665 231 C HN 0.450 nan 8.230 nan 0.000 0.614 232 P HA -0.120 nan 4.420 nan 0.000 0.221 232 P C 1.174 178.288 177.300 -0.310 0.000 1.145 232 P CA 1.866 64.697 63.100 -0.448 0.000 0.795 232 P CB -0.070 31.375 31.700 -0.425 0.000 0.775 233 W N -1.359 119.824 121.300 -0.195 0.000 3.114 233 W HA 0.541 5.201 4.660 -0.000 0.000 0.279 233 W C 1.325 177.911 176.519 0.111 0.000 1.277 233 W CA 0.348 57.664 57.345 -0.049 0.000 1.630 233 W CB -1.130 28.345 29.460 0.026 0.000 1.087 233 W HN -0.122 nan 8.180 nan 0.000 0.637 234 A N 1.492 124.024 122.820 -0.481 0.000 2.167 234 A HA 0.132 4.451 4.320 -0.001 0.000 0.214 234 A C 1.041 178.445 177.584 -0.299 0.000 1.151 234 A CA 1.296 53.146 52.037 -0.313 0.000 0.735 234 A CB -0.590 18.000 19.000 -0.685 0.000 0.802 234 A HN 0.251 nan 8.150 nan 0.000 0.467 235 S N -2.003 113.526 115.700 -0.285 0.000 2.587 235 S HA 0.610 5.079 4.470 -0.001 0.000 0.269 235 S C -0.827 173.645 174.600 -0.214 0.000 1.154 235 S CA -0.108 57.918 58.200 -0.291 0.000 0.824 235 S CB 1.225 64.198 63.200 -0.379 0.000 1.118 235 S HN 1.325 nan 8.310 nan 0.000 0.462 236 V N -0.831 118.976 119.914 -0.179 0.000 3.160 236 V HA 0.951 5.071 4.120 -0.001 0.000 0.310 236 V C 0.205 176.225 176.094 -0.122 0.000 1.181 236 V CA -0.459 61.756 62.300 -0.141 0.000 1.047 236 V CB 1.142 32.892 31.823 -0.121 0.000 1.068 236 V HN 1.513 nan 8.190 nan 0.000 0.441 237 S N 0.557 116.194 115.700 -0.106 0.000 2.614 237 S HA 0.357 4.826 4.470 -0.001 0.000 0.265 237 S C 1.293 175.844 174.600 -0.080 0.000 1.303 237 S CA -0.005 58.139 58.200 -0.094 0.000 1.000 237 S CB 1.240 64.392 63.200 -0.080 0.000 0.935 237 S HN 2.046 nan 8.310 nan 0.000 0.551 238 V N -1.108 118.750 119.914 -0.094 0.000 2.490 238 V HA -0.032 4.087 4.120 -0.001 0.000 0.250 238 V C 2.572 178.648 176.094 -0.030 0.000 1.061 238 V CA 1.699 63.949 62.300 -0.083 0.000 1.064 238 V CB -2.107 29.602 31.823 -0.191 0.000 0.670 238 V HN 0.995 nan 8.190 nan 0.000 0.461 239 A N 0.714 123.512 122.820 -0.037 0.000 1.873 239 A HA -0.197 4.122 4.320 -0.001 0.000 0.215 239 A C 2.228 179.788 177.584 -0.040 0.000 1.186 239 A CA 1.967 53.989 52.037 -0.025 0.000 0.616 239 A CB -0.645 18.339 19.000 -0.027 0.000 0.823 239 A HN 0.618 nan 8.150 nan 0.000 0.442 240 E N 0.144 120.308 120.200 -0.060 0.000 2.106 240 E HA -0.026 4.324 4.350 -0.001 0.000 0.192 240 E C 1.950 178.502 176.600 -0.079 0.000 0.984 240 E CA 1.513 57.861 56.400 -0.086 0.000 0.806 240 E CB -0.809 28.827 29.700 -0.106 0.000 0.750 240 E HN 0.389 nan 8.360 nan 0.000 0.458 241 G N 0.733 109.503 108.800 -0.049 0.000 2.421 241 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.216 241 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.216 241 G C 1.759 176.668 174.900 0.015 0.000 1.171 241 G CA 0.892 45.986 45.100 -0.009 0.000 0.775 241 G HN 0.332 nan 8.290 nan 0.000 0.543 242 R N 0.319 120.825 120.500 0.010 0.000 2.081 242 R HA -0.024 4.315 4.340 -0.001 0.000 0.235 242 R C 2.571 178.869 176.300 -0.003 0.000 1.131 242 R CA 1.496 57.605 56.100 0.014 0.000 0.960 242 R CB -0.368 29.944 30.300 0.020 0.000 0.856 242 R HN 0.335 nan 8.270 nan 0.000 0.436 243 R N 0.449 120.932 120.500 -0.027 0.000 2.083 243 R HA -0.147 4.193 4.340 -0.001 0.000 0.237 243 R C 2.207 178.478 176.300 -0.049 0.000 1.137 243 R CA 1.921 57.994 56.100 -0.045 0.000 0.951 243 R CB -0.109 30.146 30.300 -0.074 0.000 0.851 243 R HN 0.281 nan 8.270 nan 0.000 0.434 244 R N -0.299 120.163 120.500 -0.065 0.000 2.115 244 R HA -0.036 4.303 4.340 -0.001 0.000 0.230 244 R C 2.313 178.659 176.300 0.077 0.000 1.111 244 R CA 1.096 57.152 56.100 -0.073 0.000 0.976 244 R CB -0.236 29.930 30.300 -0.223 0.000 0.870 244 R HN 0.259 nan 8.270 nan 0.000 0.445 245 A N 0.832 123.715 122.820 0.106 0.000 1.873 245 A HA -0.097 4.223 4.320 -0.001 0.000 0.215 245 A C 2.348 179.951 177.584 0.032 0.000 1.186 245 A CA 1.255 53.352 52.037 0.099 0.000 0.616 245 A CB -0.502 18.508 19.000 0.017 0.000 0.823 245 A HN 0.094 nan 8.150 nan 0.000 0.442 246 V N 0.136 120.057 119.914 0.012 0.000 2.343 246 V HA -0.232 3.888 4.120 -0.001 0.000 0.247 246 V C 2.600 178.699 176.094 0.008 0.000 1.051 246 V CA 2.400 64.701 62.300 0.002 0.000 1.036 246 V CB -0.721 31.099 31.823 -0.005 0.000 0.654 246 V HN 0.707 nan 8.190 nan 0.000 0.451 247 E N 0.272 120.475 120.200 0.006 0.000 2.153 247 E HA -0.212 4.138 4.350 -0.001 0.000 0.194 247 E C 1.889 178.509 176.600 0.034 0.000 0.988 247 E CA 1.116 57.517 56.400 0.003 0.000 0.811 247 E CB -0.380 29.302 29.700 -0.030 0.000 0.746 247 E HN 0.458 nan 8.360 nan 0.000 0.466 248 L N -0.335 120.933 121.223 0.074 0.000 2.056 248 L HA 0.064 4.404 4.340 -0.001 0.000 0.207 248 L C 2.178 179.080 176.870 0.054 0.000 1.078 248 L CA 2.304 57.209 54.840 0.108 0.000 0.749 248 L CB -0.988 41.176 42.059 0.176 0.000 0.901 248 L HN 0.230 nan 8.230 nan 0.000 0.433 249 G N -0.923 107.894 108.800 0.027 0.000 2.422 249 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.218 249 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.218 249 G C 1.801 176.716 174.900 0.024 0.000 1.146 249 G CA 0.729 45.839 45.100 0.017 0.000 0.769 249 G HN 0.419 nan 8.290 nan 0.000 0.547 250 R N 0.416 120.929 120.500 0.022 0.000 2.120 250 R HA -0.008 4.331 4.340 -0.001 0.000 0.234 250 R C 2.088 178.404 176.300 0.027 0.000 1.123 250 R CA 1.182 57.294 56.100 0.020 0.000 0.975 250 R CB -0.288 30.020 30.300 0.012 0.000 0.866 250 R HN 0.299 nan 8.270 nan 0.000 0.446 251 N N 0.208 118.929 118.700 0.036 0.000 2.396 251 N HA -0.072 4.668 4.740 -0.001 0.000 0.180 251 N C 0.786 176.323 175.510 0.046 0.000 1.028 251 N CA 0.776 53.852 53.050 0.044 0.000 0.893 251 N CB 0.244 38.767 38.487 0.060 0.000 0.967 251 N HN 0.277 nan 8.380 nan 0.000 0.440 252 L N 0.672 121.921 121.223 0.042 0.000 2.965 252 L HA 0.205 4.545 4.340 -0.001 0.000 0.254 252 L C -0.574 176.317 176.870 0.034 0.000 1.220 252 L CA -0.190 54.674 54.840 0.040 0.000 1.023 252 L CB -0.252 41.831 42.059 0.040 0.000 1.355 252 L HN -0.019 nan 8.230 nan 0.000 0.545 253 N N -0.791 117.928 118.700 0.032 0.000 2.714 253 N HA -0.184 4.556 4.740 -0.001 0.000 0.253 253 N C -0.387 175.141 175.510 0.030 0.000 1.024 253 N CA 0.453 53.520 53.050 0.029 0.000 0.726 253 N CB -1.669 36.835 38.487 0.028 0.000 0.908 253 N HN 0.268 nan 8.380 nan 0.000 0.542 254 c N 0.508 119.126 118.600 0.030 0.000 2.398 254 c HA 0.365 4.935 4.570 -0.001 0.000 0.364 254 c C 1.114 175.225 174.090 0.034 0.000 1.219 254 c CA -1.099 55.250 56.329 0.034 0.000 2.312 254 c CB 0.967 43.495 42.510 0.031 0.000 2.428 254 c HN 0.538 nan 8.230 nan 0.000 0.564 255 N N 1.735 120.461 118.700 0.043 0.000 2.475 255 N HA 0.146 4.886 4.740 -0.001 0.000 0.267 255 N C -0.163 175.366 175.510 0.032 0.000 1.169 255 N CA 0.243 53.316 53.050 0.038 0.000 0.947 255 N CB 0.479 38.994 38.487 0.046 0.000 1.061 255 N HN 0.627 nan 8.380 nan 0.000 0.466 256 L N 2.909 124.146 121.223 0.022 0.000 2.965 256 L HA 0.237 4.576 4.340 -0.001 0.000 0.254 256 L C 1.204 178.081 176.870 0.013 0.000 1.220 256 L CA -0.321 54.529 54.840 0.016 0.000 1.023 256 L CB -0.093 41.973 42.059 0.011 0.000 1.355 256 L HN 0.419 nan 8.230 nan 0.000 0.545 257 N N 0.669 119.378 118.700 0.014 0.000 2.396 257 N HA -0.049 4.691 4.740 -0.001 0.000 0.180 257 N C 0.639 176.154 175.510 0.009 0.000 1.028 257 N CA 0.740 53.796 53.050 0.010 0.000 0.893 257 N CB 0.323 38.816 38.487 0.010 0.000 0.967 257 N HN 0.478 nan 8.380 nan 0.000 0.440 258 S N -1.534 114.173 115.700 0.012 0.000 2.588 258 S HA 0.314 4.784 4.470 -0.001 0.000 0.269 258 S C -0.134 174.474 174.600 0.013 0.000 1.157 258 S CA -0.861 57.344 58.200 0.010 0.000 0.824 258 S CB 1.673 64.877 63.200 0.008 0.000 1.126 258 S HN -0.267 nan 8.310 nan 0.000 0.464 259 D N 1.279 121.684 120.400 0.008 0.000 2.104 259 D HA -0.114 4.526 4.640 -0.001 0.000 0.194 259 D C 1.640 177.954 176.300 0.023 0.000 0.994 259 D CA 1.887 55.891 54.000 0.007 0.000 0.830 259 D CB -0.261 40.540 40.800 0.001 0.000 0.959 259 D HN 0.833 nan 8.370 nan 0.000 0.452 260 E N 0.331 120.547 120.200 0.027 0.000 2.130 260 E HA -0.258 4.092 4.350 -0.001 0.000 0.196 260 E C 1.805 178.448 176.600 0.071 0.000 0.998 260 E CA 1.227 57.654 56.400 0.044 0.000 0.806 260 E CB 0.103 29.816 29.700 0.022 0.000 0.738 260 E HN 0.103 nan 8.360 nan 0.000 0.459 261 E N 0.109 120.340 120.200 0.052 0.000 2.028 261 E HA -0.172 4.177 4.350 -0.001 0.000 0.191 261 E C 1.969 178.629 176.600 0.099 0.000 0.988 261 E CA 0.973 57.416 56.400 0.071 0.000 0.799 261 E CB -0.280 29.444 29.700 0.040 0.000 0.755 261 E HN 0.252 nan 8.360 nan 0.000 0.447 262 L N 0.472 121.729 121.223 0.057 0.000 1.994 262 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 262 L C 1.984 178.880 176.870 0.043 0.000 1.071 262 L CA 1.628 56.489 54.840 0.035 0.000 0.745 262 L CB -0.681 41.378 42.059 -0.000 0.000 0.892 262 L HN 0.229 nan 8.230 nan 0.000 0.431 263 I N -0.348 120.250 120.570 0.047 0.000 2.118 263 I HA -0.357 3.813 4.170 -0.001 0.000 0.241 263 I C 2.619 178.829 176.117 0.153 0.000 1.070 263 I CA 2.042 63.391 61.300 0.081 0.000 1.327 263 I CB -1.739 36.319 38.000 0.096 0.000 1.034 263 I HN 0.517 nan 8.210 nan 0.000 0.405 264 H N 0.445 119.558 119.070 0.071 0.000 2.319 264 H HA -0.248 4.307 4.556 -0.001 0.000 0.297 264 H C 2.577 177.947 175.328 0.070 0.000 1.097 264 H CA 2.667 58.755 56.048 0.068 0.000 1.285 264 H CB -0.417 29.372 29.762 0.044 0.000 1.368 264 H HN 0.435 nan 8.280 nan 0.000 0.495 265 c N 0.026 118.635 118.600 0.015 0.000 2.436 265 c HA -0.105 4.464 4.570 -0.001 0.000 0.277 265 c C 2.842 176.917 174.090 -0.025 0.000 1.241 265 c CA 1.157 57.467 56.329 -0.033 0.000 1.721 265 c CB -1.467 41.072 42.510 0.049 0.000 2.043 265 c HN 0.683 nan 8.230 nan 0.000 0.472 266 L N 0.215 121.466 121.223 0.047 0.000 2.127 266 L HA -0.127 4.213 4.340 -0.001 0.000 0.211 266 L C 2.926 179.887 176.870 0.152 0.000 1.089 266 L CA 1.534 56.446 54.840 0.120 0.000 0.757 266 L CB -0.675 41.477 42.059 0.155 0.000 0.899 266 L HN 0.383 nan 8.230 nan 0.000 0.434 267 R N -0.426 120.134 120.500 0.100 0.000 2.189 267 R HA -0.079 4.261 4.340 -0.001 0.000 0.218 267 R C 1.787 178.045 176.300 -0.071 0.000 1.074 267 R CA 0.536 56.632 56.100 -0.006 0.000 0.991 267 R CB 0.059 30.356 30.300 -0.005 0.000 0.883 267 R HN 0.308 nan 8.270 nan 0.000 0.457 268 E N 0.589 120.722 120.200 -0.112 0.000 2.385 268 E HA 0.014 4.364 4.350 -0.001 0.000 0.194 268 E C 0.071 176.651 176.600 -0.033 0.000 1.013 268 E CA 0.550 56.889 56.400 -0.101 0.000 0.866 268 E CB 0.234 29.840 29.700 -0.156 0.000 0.832 268 E HN 0.056 nan 8.360 nan 0.000 0.500 269 K N 1.705 122.101 120.400 -0.007 0.000 2.237 269 K HA 0.184 4.504 4.320 -0.001 0.000 0.270 269 K C 0.464 177.093 176.600 0.048 0.000 1.015 269 K CA -0.103 56.199 56.287 0.025 0.000 0.949 269 K CB 0.947 33.470 32.500 0.039 0.000 0.976 269 K HN -0.082 nan 8.250 nan 0.000 0.472 270 K N 2.385 122.820 120.400 0.058 0.000 2.258 270 K HA 0.044 4.363 4.320 -0.001 0.000 0.264 270 K C -1.571 175.113 176.600 0.140 0.000 1.007 270 K CA -1.519 54.812 56.287 0.074 0.000 0.941 270 K CB 0.143 32.676 32.500 0.055 0.000 0.966 270 K HN 0.174 nan 8.250 nan 0.000 0.480 271 P HA -0.248 nan 4.420 nan 0.000 0.215 271 P C 1.110 178.603 177.300 0.321 0.000 1.163 271 P CA 1.324 64.635 63.100 0.352 0.000 0.894 271 P CB 0.235 31.995 31.700 0.100 0.000 0.791 272 Q N -0.013 119.892 119.800 0.175 0.000 2.291 272 Q HA -0.182 4.157 4.340 -0.001 0.000 0.206 272 Q C 1.830 177.917 176.000 0.146 0.000 0.976 272 Q CA 1.577 57.470 55.803 0.150 0.000 0.875 272 Q CB -0.804 27.987 28.738 0.088 0.000 0.927 272 Q HN 0.371 nan 8.270 nan 0.000 0.450 273 E N -0.965 119.312 120.200 0.129 0.000 2.106 273 E HA -0.151 4.199 4.350 -0.001 0.000 0.192 273 E C 1.542 178.209 176.600 0.112 0.000 0.984 273 E CA 0.796 57.258 56.400 0.104 0.000 0.806 273 E CB 0.023 29.771 29.700 0.079 0.000 0.750 273 E HN 0.237 nan 8.360 nan 0.000 0.458 274 L N 0.679 121.972 121.223 0.116 0.000 2.044 274 L HA -0.122 4.218 4.340 -0.001 0.000 0.205 274 L C 2.210 179.171 176.870 0.152 0.000 1.075 274 L CA 1.388 56.269 54.840 0.068 0.000 0.747 274 L CB -0.409 41.583 42.059 -0.112 0.000 0.903 274 L HN 0.137 nan 8.230 nan 0.000 0.435 275 I N -0.514 120.194 120.570 0.229 0.000 2.286 275 I HA -0.284 3.886 4.170 -0.001 0.000 0.248 275 I C 1.835 178.106 176.117 0.256 0.000 1.115 275 I CA 0.994 62.468 61.300 0.290 0.000 1.392 275 I CB -0.421 37.772 38.000 0.321 0.000 1.065 275 I HN 0.253 nan 8.210 nan 0.000 0.418 276 D N 0.378 120.898 120.400 0.200 0.000 2.218 276 D HA -0.117 4.522 4.640 -0.001 0.000 0.204 276 D C 1.914 178.315 176.300 0.169 0.000 0.976 276 D CA 1.471 55.575 54.000 0.174 0.000 0.853 276 D CB 0.085 40.962 40.800 0.128 0.000 0.939 276 D HN 0.403 nan 8.370 nan 0.000 0.481 277 V N -2.678 117.341 119.914 0.175 0.000 3.477 277 V HA 0.201 4.320 4.120 -0.001 0.000 0.297 277 V C 1.778 178.010 176.094 0.230 0.000 1.433 277 V CA -0.002 62.400 62.300 0.170 0.000 1.052 277 V CB 0.331 32.231 31.823 0.129 0.000 0.895 277 V HN -0.075 nan 8.190 nan 0.000 0.438 278 E N 0.580 120.964 120.200 0.306 0.000 2.136 278 E HA -0.292 4.057 4.350 -0.001 0.000 0.202 278 E C 1.698 178.580 176.600 0.470 0.000 1.019 278 E CA 2.442 59.124 56.400 0.470 0.000 0.819 278 E CB -0.137 29.891 29.700 0.546 0.000 0.739 278 E HN 0.839 nan 8.360 nan 0.000 0.458 279 W N 0.517 121.820 121.300 0.005 0.000 3.180 279 W HA 0.026 4.685 4.660 -0.001 0.000 0.254 279 W C 1.001 177.486 176.519 -0.058 0.000 1.318 279 W CA -0.225 57.076 57.345 -0.074 0.000 1.608 279 W CB 0.235 29.608 29.460 -0.145 0.000 1.124 279 W HN 0.151 nan 8.180 nan 0.000 0.694 280 N N 0.392 119.159 118.700 0.112 0.000 2.461 280 N HA -0.100 4.640 4.740 -0.001 0.000 0.188 280 N C 1.628 177.101 175.510 -0.062 0.000 1.134 280 N CA 0.967 54.032 53.050 0.025 0.000 0.878 280 N CB -0.156 38.366 38.487 0.059 0.000 0.972 280 N HN 0.154 nan 8.380 nan 0.000 0.456 281 V N -2.180 117.660 119.914 -0.123 0.000 3.650 281 V HA 0.252 4.371 4.120 -0.001 0.000 0.271 281 V C 0.774 176.683 176.094 -0.309 0.000 1.281 281 V CA -0.092 62.095 62.300 -0.188 0.000 1.120 281 V CB -0.556 31.162 31.823 -0.176 0.000 0.856 281 V HN -0.021 nan 8.190 nan 0.000 0.443 282 L N 2.636 123.625 121.223 -0.389 0.000 2.499 282 L HA 0.174 4.513 4.340 -0.001 0.000 0.273 282 L C -0.226 176.413 176.870 -0.386 0.000 1.195 282 L CA -0.769 53.805 54.840 -0.443 0.000 0.882 282 L CB 0.672 42.425 42.059 -0.509 0.000 1.133 282 L HN 0.183 nan 8.230 nan 0.000 0.483 283 P HA -0.086 nan 4.420 nan 0.000 0.219 283 P C -0.081 176.775 177.300 -0.740 0.000 1.150 283 P CA 1.264 63.925 63.100 -0.731 0.000 0.814 283 P CB 0.253 31.295 31.700 -1.097 0.000 0.787 284 F N -0.411 119.472 119.950 -0.112 0.000 2.618 284 F HA 0.417 4.943 4.527 -0.001 0.000 0.332 284 F C 0.507 176.253 175.800 -0.090 0.000 1.061 284 F CA -1.743 56.207 58.000 -0.083 0.000 0.974 284 F CB -0.023 38.940 39.000 -0.061 0.000 1.310 284 F HN -0.342 nan 8.300 nan 0.000 0.491 285 D N 1.074 121.574 120.400 0.166 0.000 2.352 285 D HA 0.397 5.037 4.640 -0.001 0.000 0.245 285 D C -0.590 175.750 176.300 0.067 0.000 1.224 285 D CA 0.306 54.350 54.000 0.072 0.000 0.879 285 D CB 0.274 41.109 40.800 0.058 0.000 1.057 285 D HN 0.627 nan 8.370 nan 0.000 0.491 286 S N 2.738 118.461 115.700 0.038 0.000 2.776 286 S HA 0.775 5.244 4.470 -0.001 0.000 0.292 286 S C -0.359 174.248 174.600 0.011 0.000 1.187 286 S CA -0.970 57.244 58.200 0.024 0.000 0.834 286 S CB 0.800 64.025 63.200 0.040 0.000 1.199 286 S HN 0.457 nan 8.310 nan 0.000 0.514 287 I N -3.594 116.978 120.570 0.003 0.000 2.865 287 I HA 0.788 4.958 4.170 -0.001 0.000 0.302 287 I C -0.560 175.548 176.117 -0.016 0.000 1.140 287 I CA -1.130 60.178 61.300 0.012 0.000 1.021 287 I CB 1.543 39.562 38.000 0.032 0.000 1.233 287 I HN 0.761 nan 8.210 nan 0.000 0.427 288 F N 1.989 121.777 119.950 -0.270 0.000 3.080 288 F HA -0.167 4.360 4.527 -0.001 0.000 0.292 288 F C -0.455 174.876 175.800 -0.783 0.000 0.891 288 F CA 0.565 58.176 58.000 -0.649 0.000 1.086 288 F CB -0.610 37.910 39.000 -0.801 0.000 1.095 288 F HN 0.636 nan 8.300 nan 0.000 0.633 289 R N 0.455 120.564 120.500 -0.651 0.000 2.621 289 R HA 0.597 4.937 4.340 -0.001 0.000 0.284 289 R C -0.976 174.824 176.300 -0.833 0.000 0.998 289 R CA -0.539 55.207 56.100 -0.589 0.000 0.895 289 R CB 1.304 31.449 30.300 -0.258 0.000 1.195 289 R HN -0.014 nan 8.270 nan 0.000 0.450 290 F N -0.551 119.410 119.950 0.019 0.000 2.546 290 F HA 0.379 4.906 4.527 -0.001 0.000 0.320 290 F C 1.641 177.237 175.800 -0.339 0.000 1.076 290 F CA -0.773 57.174 58.000 -0.088 0.000 0.928 290 F CB 1.672 40.946 39.000 0.456 0.000 1.189 290 F HN 0.362 nan 8.300 nan 0.000 0.465 291 S N 0.660 116.069 115.700 -0.485 0.000 2.343 291 S HA -0.068 4.402 4.470 -0.001 0.000 0.219 291 S C 0.119 174.311 174.600 -0.680 0.000 1.033 291 S CA 1.244 59.037 58.200 -0.678 0.000 1.014 291 S CB -0.274 62.457 63.200 -0.782 0.000 0.915 291 S HN 0.351 nan 8.310 nan 0.000 0.435 292 F N 1.870 121.950 119.950 0.216 0.000 2.332 292 F HA 0.551 5.078 4.527 -0.001 0.000 0.368 292 F C 0.079 175.976 175.800 0.161 0.000 1.110 292 F CA -0.960 57.177 58.000 0.228 0.000 1.087 292 F CB 0.914 40.109 39.000 0.325 0.000 1.235 292 F HN -0.061 nan 8.300 nan 0.000 0.470 293 V N 0.788 120.715 119.914 0.022 0.000 3.158 293 V HA 0.762 4.882 4.120 -0.001 0.000 0.311 293 V C -2.858 172.943 176.094 -0.488 0.000 1.181 293 V CA -3.355 58.639 62.300 -0.510 0.000 1.054 293 V CB 1.944 33.606 31.823 -0.267 0.000 1.085 293 V HN 0.246 nan 8.190 nan 0.000 0.446 294 P HA 0.187 nan 4.420 nan 0.000 0.267 294 P C -0.882 176.341 177.300 -0.129 0.000 1.201 294 P CA 0.364 63.272 63.100 -0.319 0.000 0.775 294 P CB 0.567 32.017 31.700 -0.417 0.000 0.854 295 V N 4.026 123.961 119.914 0.034 0.000 2.656 295 V HA 0.354 4.474 4.120 -0.001 0.000 0.307 295 V C -0.513 175.640 176.094 0.099 0.000 1.051 295 V CA -0.979 61.330 62.300 0.016 0.000 0.893 295 V CB 1.561 33.405 31.823 0.034 0.000 0.999 295 V HN 0.198 nan 8.190 nan 0.000 0.426 296 I N 6.978 127.540 120.570 -0.014 0.000 2.349 296 I HA 0.217 4.386 4.170 -0.001 0.000 0.302 296 I C 1.042 177.169 176.117 0.016 0.000 1.180 296 I CA 0.263 61.584 61.300 0.036 0.000 1.405 296 I CB 0.297 38.239 38.000 -0.098 0.000 1.474 296 I HN 0.762 nan 8.210 nan 0.000 0.632 297 D N 2.820 123.278 120.400 0.096 0.000 2.354 297 D HA 0.092 4.732 4.640 -0.001 0.000 0.209 297 D C 1.550 177.842 176.300 -0.014 0.000 1.015 297 D CA 0.756 54.708 54.000 -0.081 0.000 0.867 297 D CB 0.177 41.020 40.800 0.071 0.000 0.933 297 D HN 0.567 nan 8.370 nan 0.000 0.520 298 G N 0.252 109.113 108.800 0.101 0.000 2.176 298 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.253 298 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.253 298 G C 0.750 175.723 174.900 0.122 0.000 0.979 298 G CA 0.563 45.725 45.100 0.104 0.000 0.641 298 G HN 0.468 nan 8.290 nan 0.000 0.530 299 E N -1.560 118.726 120.200 0.143 0.000 2.870 299 E HA 0.379 4.729 4.350 -0.001 0.000 0.185 299 E C 1.743 178.374 176.600 0.051 0.000 1.084 299 E CA -0.177 56.286 56.400 0.105 0.000 1.246 299 E CB -0.022 29.760 29.700 0.136 0.000 1.382 299 E HN 0.199 nan 8.360 nan 0.000 0.492 300 F N 0.915 120.799 119.950 -0.110 0.000 2.134 300 F HA -0.011 4.516 4.527 -0.001 0.000 0.299 300 F C 0.127 175.647 175.800 -0.467 0.000 1.097 300 F CA 1.135 58.928 58.000 -0.344 0.000 1.264 300 F CB 0.323 39.009 39.000 -0.523 0.000 1.001 300 F HN -0.133 nan 8.300 nan 0.000 0.479 301 F N 1.529 121.621 119.950 0.236 0.000 2.403 301 F HA 0.347 4.874 4.527 -0.001 0.000 0.355 301 F C -1.440 174.400 175.800 0.067 0.000 1.119 301 F CA -2.938 55.141 58.000 0.131 0.000 1.007 301 F CB 0.596 39.675 39.000 0.133 0.000 1.194 301 F HN -0.238 nan 8.300 nan 0.000 0.443 302 P HA -0.100 nan 4.420 nan 0.000 0.215 302 P C 0.441 177.801 177.300 0.100 0.000 1.153 302 P CA 1.571 64.733 63.100 0.103 0.000 0.853 302 P CB 0.252 31.987 31.700 0.057 0.000 0.788 303 T N -4.372 110.246 114.554 0.108 0.000 2.669 303 T HA 0.443 4.792 4.350 -0.001 0.000 0.283 303 T C -0.085 174.650 174.700 0.059 0.000 1.019 303 T CA -0.571 61.570 62.100 0.068 0.000 1.039 303 T CB 0.982 69.877 68.868 0.045 0.000 1.374 303 T HN 0.102 nan 8.240 nan 0.000 0.523 304 S N 0.047 115.758 115.700 0.018 0.000 2.566 304 S HA 0.133 4.603 4.470 -0.001 0.000 0.280 304 S C 1.488 176.081 174.600 -0.011 0.000 1.343 304 S CA -0.689 57.499 58.200 -0.020 0.000 1.036 304 S CB -0.395 62.791 63.200 -0.023 0.000 0.866 304 S HN 0.654 nan 8.310 nan 0.000 0.526 305 L N 0.581 121.759 121.223 -0.075 0.000 2.046 305 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 305 L C 2.927 179.823 176.870 0.043 0.000 1.077 305 L CA 1.957 56.769 54.840 -0.048 0.000 0.747 305 L CB -0.788 41.177 42.059 -0.156 0.000 0.896 305 L HN 0.815 nan 8.230 nan 0.000 0.432 306 E N 0.705 120.927 120.200 0.036 0.000 2.077 306 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 306 E C 2.262 178.920 176.600 0.096 0.000 0.989 306 E CA 1.728 58.185 56.400 0.095 0.000 0.800 306 E CB -0.088 29.657 29.700 0.075 0.000 0.746 306 E HN 0.472 nan 8.360 nan 0.000 0.452 307 S N -0.491 115.247 115.700 0.063 0.000 2.402 307 S HA -0.153 4.317 4.470 -0.001 0.000 0.229 307 S C 2.120 176.761 174.600 0.068 0.000 1.021 307 S CA 1.231 59.465 58.200 0.058 0.000 0.974 307 S CB -0.353 62.868 63.200 0.035 0.000 0.800 307 S HN 0.256 nan 8.310 nan 0.000 0.484 308 M N 0.940 120.596 119.600 0.092 0.000 2.132 308 M HA 0.055 4.534 4.480 -0.001 0.000 0.263 308 M C 2.222 178.650 176.300 0.213 0.000 1.065 308 M CA 1.397 56.773 55.300 0.127 0.000 1.122 308 M CB -0.623 32.084 32.600 0.179 0.000 1.365 308 M HN 0.306 nan 8.290 nan 0.000 0.411 309 L N -0.018 121.354 121.223 0.248 0.000 2.083 309 L HA -0.226 4.113 4.340 -0.001 0.000 0.209 309 L C 2.163 179.206 176.870 0.288 0.000 1.083 309 L CA 0.869 55.903 54.840 0.324 0.000 0.752 309 L CB -0.791 41.370 42.059 0.169 0.000 0.899 309 L HN 0.367 nan 8.230 nan 0.000 0.433 310 N N -0.277 118.528 118.700 0.175 0.000 2.188 310 N HA -0.126 4.614 4.740 -0.001 0.000 0.184 310 N C 1.932 177.523 175.510 0.136 0.000 1.018 310 N CA 1.679 54.827 53.050 0.164 0.000 0.858 310 N CB -0.142 38.415 38.487 0.115 0.000 0.989 310 N HN 0.328 nan 8.380 nan 0.000 0.426 311 S N -0.948 114.752 115.700 -0.000 0.000 2.593 311 S HA 0.247 4.716 4.470 -0.001 0.000 0.217 311 S C 1.310 175.566 174.600 -0.574 0.000 0.966 311 S CA 0.414 58.530 58.200 -0.140 0.000 0.914 311 S CB 0.104 63.240 63.200 -0.107 0.000 0.776 311 S HN 0.390 nan 8.310 nan 0.000 0.523 312 G N 1.956 110.223 108.800 -0.889 0.000 2.160 312 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.251 312 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.251 312 G C 0.006 174.034 174.900 -1.453 0.000 1.008 312 G CA 0.104 43.980 45.100 -2.040 0.000 0.724 312 G HN 0.624 nan 8.290 nan 0.000 0.514 313 N N 0.659 118.954 118.700 -0.675 0.000 2.819 313 N HA 0.500 5.240 4.740 -0.001 0.000 0.284 313 N C -0.138 175.315 175.510 -0.094 0.000 1.196 313 N CA -0.041 52.805 53.050 -0.339 0.000 1.114 313 N CB -0.904 37.511 38.487 -0.120 0.000 1.437 313 N HN 0.735 nan 8.380 nan 0.000 0.518 314 F N -1.070 118.824 119.950 -0.094 0.000 2.770 314 F HA 0.389 4.916 4.527 -0.000 0.000 0.313 314 F C -0.408 175.407 175.800 0.025 0.000 1.154 314 F CA -1.439 56.577 58.000 0.027 0.000 0.923 314 F CB 0.583 39.668 39.000 0.142 0.000 1.301 314 F HN -0.136 nan 8.300 nan 0.000 0.449 315 K N 1.882 122.531 120.400 0.415 0.000 2.451 315 K HA 0.202 4.522 4.320 -0.001 0.000 0.280 315 K C -1.015 175.829 176.600 0.407 0.000 1.020 315 K CA -0.145 56.299 56.287 0.262 0.000 1.008 315 K CB 0.498 33.100 32.500 0.170 0.000 0.917 315 K HN 0.759 nan 8.250 nan 0.000 0.478 316 K N 3.173 123.688 120.400 0.192 0.000 2.316 316 K HA 0.179 4.498 4.320 -0.001 0.000 0.267 316 K C -0.305 176.409 176.600 0.189 0.000 1.025 316 K CA -0.425 55.974 56.287 0.187 0.000 0.896 316 K CB 1.830 34.348 32.500 0.030 0.000 1.124 316 K HN 0.640 nan 8.250 nan 0.000 0.451 317 T N 1.331 116.080 114.554 0.325 0.000 2.630 317 T HA 0.221 4.571 4.350 -0.001 0.000 0.300 317 T C -1.467 173.431 174.700 0.330 0.000 1.261 317 T CA -0.595 61.650 62.100 0.242 0.000 1.060 317 T CB 0.940 69.920 68.868 0.187 0.000 1.670 317 T HN 0.408 nan 8.240 nan 0.000 0.473 318 Q N 0.983 120.943 119.800 0.266 0.000 2.222 318 Q HA 0.767 5.107 4.340 -0.001 0.000 0.252 318 Q C -0.404 175.885 176.000 0.482 0.000 0.926 318 Q CA -0.512 55.502 55.803 0.352 0.000 0.899 318 Q CB 1.444 30.359 28.738 0.295 0.000 1.250 318 Q HN 0.691 nan 8.270 nan 0.000 0.441 319 I N -1.539 119.270 120.570 0.398 0.000 2.769 319 I HA 0.706 4.876 4.170 -0.001 0.000 0.298 319 I C -1.560 174.424 176.117 -0.221 0.000 1.128 319 I CA -1.377 60.014 61.300 0.150 0.000 1.031 319 I CB 1.912 39.820 38.000 -0.153 0.000 1.235 319 I HN 0.554 nan 8.210 nan 0.000 0.423 320 L N 6.808 127.671 121.223 -0.600 0.000 2.409 320 L HA 0.791 5.131 4.340 -0.001 0.000 0.272 320 L C -1.353 175.284 176.870 -0.387 0.000 0.980 320 L CA -0.509 53.870 54.840 -0.768 0.000 0.826 320 L CB 1.651 42.745 42.059 -1.609 0.000 1.268 320 L HN 0.845 nan 8.230 nan 0.000 0.407 321 L N 2.345 123.460 121.223 -0.180 0.000 2.600 321 L HA 1.113 5.452 4.340 -0.001 0.000 0.257 321 L C -0.808 175.825 176.870 -0.393 0.000 1.048 321 L CA -0.482 54.279 54.840 -0.131 0.000 0.869 321 L CB 1.947 43.931 42.059 -0.124 0.000 1.482 321 L HN 0.664 nan 8.230 nan 0.000 0.408 322 G N -0.107 108.251 108.800 -0.735 0.000 2.441 322 G HA2 0.588 4.547 3.960 -0.001 0.000 0.294 322 G HA3 0.588 4.547 3.960 -0.001 0.000 0.294 322 G C -1.532 173.030 174.900 -0.564 0.000 1.393 322 G CA -0.004 44.316 45.100 -1.299 0.000 0.796 322 G HN 1.398 nan 8.290 nan 0.000 0.494 323 V N -2.535 117.248 119.914 -0.218 0.000 3.141 323 V HA 0.773 4.892 4.120 -0.001 0.000 0.312 323 V C -0.364 175.861 176.094 0.217 0.000 1.157 323 V CA -1.402 60.968 62.300 0.118 0.000 1.041 323 V CB 1.661 33.573 31.823 0.148 0.000 1.071 323 V HN 0.823 nan 8.190 nan 0.000 0.441 324 N N 0.277 119.111 118.700 0.225 0.000 2.472 324 N HA 0.355 5.094 4.740 -0.001 0.000 0.289 324 N C 0.459 175.960 175.510 -0.015 0.000 1.156 324 N CA -0.707 52.445 53.050 0.170 0.000 0.940 324 N CB 2.052 40.739 38.487 0.334 0.000 1.200 324 N HN 0.836 nan 8.380 nan 0.000 0.511 325 K N 0.400 120.684 120.400 -0.193 0.000 2.063 325 K HA -0.113 4.206 4.320 -0.001 0.000 0.208 325 K C -0.439 176.265 176.600 0.173 0.000 1.048 325 K CA 1.291 57.547 56.287 -0.051 0.000 0.928 325 K CB 0.169 32.649 32.500 -0.033 0.000 0.713 325 K HN 0.558 nan 8.250 nan 0.000 0.442 326 D N 1.155 121.655 120.400 0.166 0.000 2.795 326 D HA 0.038 4.678 4.640 -0.001 0.000 0.335 326 D C 0.182 176.611 176.300 0.215 0.000 1.262 326 D CA -0.086 54.025 54.000 0.186 0.000 0.885 326 D CB 1.233 42.126 40.800 0.156 0.000 1.047 326 D HN 0.152 nan 8.370 nan 0.000 0.500 327 E N 0.481 120.819 120.200 0.229 0.000 2.160 327 E HA -0.123 4.227 4.350 -0.001 0.000 0.195 327 E C 1.923 178.651 176.600 0.213 0.000 0.991 327 E CA 0.721 57.282 56.400 0.268 0.000 0.810 327 E CB 0.128 29.952 29.700 0.208 0.000 0.742 327 E HN 0.413 nan 8.360 nan 0.000 0.466 328 G N 1.057 109.944 108.800 0.145 0.000 2.777 328 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.211 328 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.211 328 G C 1.671 176.649 174.900 0.130 0.000 1.149 328 G CA 0.701 45.873 45.100 0.119 0.000 0.785 328 G HN 0.341 nan 8.290 nan 0.000 0.536 329 S N 1.386 117.168 115.700 0.136 0.000 2.370 329 S HA -0.216 4.254 4.470 -0.001 0.000 0.226 329 S C 2.124 176.742 174.600 0.030 0.000 1.033 329 S CA 1.530 59.792 58.200 0.103 0.000 1.011 329 S CB -0.686 62.521 63.200 0.011 0.000 0.852 329 S HN 0.703 nan 8.310 nan 0.000 0.457 330 F N 0.584 120.455 119.950 -0.132 0.000 2.661 330 F HA 0.341 4.868 4.527 -0.001 0.000 0.298 330 F C 1.381 177.041 175.800 -0.233 0.000 1.137 330 F CA -0.155 57.685 58.000 -0.266 0.000 1.454 330 F CB -0.512 38.182 39.000 -0.509 0.000 1.103 330 F HN 0.095 nan 8.300 nan 0.000 0.577 331 F N 0.669 120.167 119.950 -0.755 0.000 2.512 331 F HA 0.113 4.640 4.527 -0.001 0.000 0.296 331 F C 1.928 177.568 175.800 -0.266 0.000 1.110 331 F CA 0.698 58.306 58.000 -0.653 0.000 1.446 331 F CB -0.460 38.083 39.000 -0.763 0.000 1.092 331 F HN 0.027 nan 8.300 nan 0.000 0.554 332 L N -0.917 120.234 121.223 -0.121 0.000 2.095 332 L HA -0.123 4.217 4.340 -0.001 0.000 0.204 332 L C 2.390 179.134 176.870 -0.210 0.000 1.080 332 L CA 0.420 55.015 54.840 -0.409 0.000 0.759 332 L CB -0.569 40.887 42.059 -1.004 0.000 0.914 332 L HN 0.129 nan 8.230 nan 0.000 0.439 333 L N -0.686 120.610 121.223 0.122 0.000 2.013 333 L HA -0.277 4.063 4.340 -0.001 0.000 0.212 333 L C 2.295 179.345 176.870 0.300 0.000 1.073 333 L CA 2.086 57.167 54.840 0.401 0.000 0.753 333 L CB -0.696 41.634 42.059 0.452 0.000 0.890 333 L HN 0.141 nan 8.230 nan 0.000 0.432 334 Y N -1.053 119.342 120.300 0.158 0.000 2.395 334 Y HA 0.120 4.669 4.550 -0.001 0.000 0.293 334 Y C 2.118 178.073 175.900 0.091 0.000 1.123 334 Y CA 0.862 59.043 58.100 0.136 0.000 1.227 334 Y CB -0.017 38.502 38.460 0.098 0.000 1.012 334 Y HN 0.328 nan 8.280 nan 0.000 0.552 335 G N -1.420 107.504 108.800 0.207 0.000 3.829 335 G HA2 0.497 4.457 3.960 -0.001 0.000 0.279 335 G HA3 0.497 4.457 3.960 -0.001 0.000 0.279 335 G C -0.475 174.494 174.900 0.115 0.000 1.008 335 G CA 0.286 45.474 45.100 0.147 0.000 0.840 335 G HN 0.218 nan 8.290 nan 0.000 0.474 336 A N 1.605 124.503 122.820 0.128 0.000 2.331 336 A HA 0.838 5.158 4.320 -0.001 0.000 0.320 336 A C -2.631 175.145 177.584 0.319 0.000 1.138 336 A CA -1.619 50.528 52.037 0.183 0.000 0.790 336 A CB 1.711 20.777 19.000 0.110 0.000 1.206 336 A HN 0.048 nan 8.150 nan 0.000 0.470 337 P HA 0.243 nan 4.420 nan 0.000 0.268 337 P C 0.884 178.255 177.300 0.117 0.000 1.204 337 P CA 1.579 64.769 63.100 0.150 0.000 0.768 337 P CB 1.058 32.810 31.700 0.087 0.000 0.842 338 G N 1.726 110.539 108.800 0.022 0.000 2.213 338 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.236 338 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.236 338 G C -0.261 174.432 174.900 -0.345 0.000 0.991 338 G CA -0.484 44.507 45.100 -0.182 0.000 0.629 338 G HN 0.433 nan 8.290 nan 0.000 0.517 339 F N 2.070 121.979 119.950 -0.068 0.000 2.408 339 F HA 0.733 5.260 4.527 -0.001 0.000 0.344 339 F C 0.638 176.463 175.800 0.041 0.000 1.112 339 F CA -0.398 57.535 58.000 -0.112 0.000 1.096 339 F CB 2.214 41.204 39.000 -0.016 0.000 1.129 339 F HN 0.035 nan 8.300 nan 0.000 0.486 340 S N 1.831 117.663 115.700 0.219 0.000 2.564 340 S HA 0.278 4.748 4.470 -0.001 0.000 0.274 340 S C 0.613 175.458 174.600 0.408 0.000 1.124 340 S CA -1.115 57.243 58.200 0.264 0.000 0.869 340 S CB 2.292 65.567 63.200 0.124 0.000 1.105 340 S HN 0.716 nan 8.310 nan 0.000 0.472 341 K N 0.648 121.227 120.400 0.298 0.000 2.097 341 K HA -0.061 4.259 4.320 -0.001 0.000 0.205 341 K C -0.123 176.557 176.600 0.135 0.000 1.050 341 K CA 1.369 57.756 56.287 0.165 0.000 0.938 341 K CB 0.023 32.315 32.500 -0.348 0.000 0.718 341 K HN 0.462 nan 8.250 nan 0.000 0.442 342 D N 0.539 120.988 120.400 0.082 0.000 2.358 342 D HA 0.024 4.663 4.640 -0.001 0.000 0.224 342 D C -0.102 176.249 176.300 0.085 0.000 1.123 342 D CA 0.124 54.154 54.000 0.050 0.000 0.833 342 D CB 0.728 41.523 40.800 -0.010 0.000 0.946 342 D HN 0.186 nan 8.370 nan 0.000 0.505 343 S N -1.292 114.488 115.700 0.132 0.000 2.667 343 S HA 0.343 4.813 4.470 -0.001 0.000 0.292 343 S C 0.715 175.361 174.600 0.076 0.000 1.126 343 S CA -0.748 57.490 58.200 0.063 0.000 0.881 343 S CB 2.239 65.431 63.200 -0.013 0.000 1.132 343 S HN -0.135 nan 8.310 nan 0.000 0.492 344 E N 0.684 120.882 120.200 -0.004 0.000 2.418 344 E HA 0.070 4.420 4.350 -0.001 0.000 0.197 344 E C -0.353 176.005 176.600 -0.403 0.000 1.026 344 E CA 0.497 56.876 56.400 -0.035 0.000 0.862 344 E CB -0.216 29.482 29.700 -0.003 0.000 0.799 344 E HN 0.694 nan 8.360 nan 0.000 0.518 345 S N 1.047 116.465 115.700 -0.470 0.000 3.706 345 S HA -0.166 4.304 4.470 -0.001 0.000 0.363 345 S C -0.320 173.915 174.600 -0.610 0.000 0.999 345 S CA 0.608 58.382 58.200 -0.709 0.000 1.143 345 S CB -1.183 61.205 63.200 -1.353 0.000 0.902 345 S HN 0.281 nan 8.310 nan 0.000 0.476 346 K N 1.017 121.201 120.400 -0.360 0.000 2.383 346 K HA 0.255 4.575 4.320 -0.001 0.000 0.286 346 K C 0.353 176.773 176.600 -0.300 0.000 1.051 346 K CA -0.128 56.002 56.287 -0.262 0.000 0.974 346 K CB 0.380 32.786 32.500 -0.156 0.000 0.968 346 K HN 0.217 nan 8.250 nan 0.000 0.475 347 I N 2.864 123.261 120.570 -0.288 0.000 2.353 347 I HA 0.037 4.207 4.170 -0.001 0.000 0.293 347 I C 1.098 177.143 176.117 -0.120 0.000 0.992 347 I CA -0.235 60.912 61.300 -0.255 0.000 1.268 347 I CB 1.077 38.926 38.000 -0.250 0.000 1.387 347 I HN 0.677 nan 8.210 nan 0.000 0.478 348 S N 6.124 121.769 115.700 -0.092 0.000 2.608 348 S HA 0.223 4.693 4.470 -0.001 0.000 0.261 348 S C 1.137 175.741 174.600 0.006 0.000 1.314 348 S CA -0.375 57.797 58.200 -0.047 0.000 0.992 348 S CB 1.326 64.504 63.200 -0.036 0.000 0.935 348 S HN 0.603 nan 8.310 nan 0.000 0.564 349 R N 0.781 121.283 120.500 0.004 0.000 2.115 349 R HA -0.041 4.299 4.340 -0.001 0.000 0.230 349 R C 2.169 178.542 176.300 0.121 0.000 1.111 349 R CA 1.923 58.047 56.100 0.040 0.000 0.976 349 R CB -0.967 29.339 30.300 0.010 0.000 0.870 349 R HN 0.902 nan 8.270 nan 0.000 0.445 350 E N 0.329 120.574 120.200 0.076 0.000 2.047 350 E HA -0.156 4.194 4.350 -0.001 0.000 0.191 350 E C 1.159 177.807 176.600 0.081 0.000 0.987 350 E CA 1.967 58.411 56.400 0.074 0.000 0.799 350 E CB -0.332 29.392 29.700 0.041 0.000 0.752 350 E HN 0.279 nan 8.360 nan 0.000 0.449 351 D N -0.642 119.796 120.400 0.064 0.000 2.219 351 D HA -0.113 4.527 4.640 -0.001 0.000 0.205 351 D C 1.509 177.871 176.300 0.103 0.000 0.970 351 D CA 0.611 54.645 54.000 0.055 0.000 0.851 351 D CB -0.324 40.469 40.800 -0.011 0.000 0.943 351 D HN 0.251 nan 8.370 nan 0.000 0.488 352 F N 0.988 120.937 119.950 -0.001 0.000 2.113 352 F HA -0.130 4.397 4.527 -0.001 0.000 0.297 352 F C 2.218 178.040 175.800 0.036 0.000 1.103 352 F CA 1.282 59.295 58.000 0.022 0.000 1.248 352 F CB -0.184 38.809 39.000 -0.012 0.000 0.999 352 F HN -0.154 nan 8.300 nan 0.000 0.475 353 M N -0.688 118.994 119.600 0.136 0.000 2.159 353 M HA -0.203 4.276 4.480 -0.001 0.000 0.263 353 M C 2.277 178.555 176.300 -0.037 0.000 1.063 353 M CA 1.664 56.990 55.300 0.044 0.000 1.110 353 M CB -0.690 31.984 32.600 0.123 0.000 1.374 353 M HN 0.063 nan 8.290 nan 0.000 0.411 354 S N 0.593 116.291 115.700 -0.003 0.000 2.368 354 S HA -0.067 4.402 4.470 -0.001 0.000 0.224 354 S C 2.040 176.620 174.600 -0.033 0.000 1.029 354 S CA 1.394 59.592 58.200 -0.003 0.000 0.988 354 S CB -0.695 62.523 63.200 0.030 0.000 0.838 354 S HN 0.687 nan 8.310 nan 0.000 0.462 355 G N 1.257 110.024 108.800 -0.055 0.000 2.418 355 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.217 355 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.217 355 G C 1.454 176.250 174.900 -0.173 0.000 1.158 355 G CA 0.993 46.047 45.100 -0.076 0.000 0.771 355 G HN 0.418 nan 8.290 nan 0.000 0.545 356 V N 0.941 120.679 119.914 -0.293 0.000 2.343 356 V HA -0.159 3.961 4.120 -0.001 0.000 0.247 356 V C 2.718 178.722 176.094 -0.151 0.000 1.051 356 V CA 2.240 64.383 62.300 -0.263 0.000 1.036 356 V CB -0.362 31.286 31.823 -0.291 0.000 0.654 356 V HN 0.335 nan 8.190 nan 0.000 0.451 357 K N 0.473 120.803 120.400 -0.117 0.000 2.057 357 K HA -0.116 4.204 4.320 -0.001 0.000 0.207 357 K C 1.858 178.403 176.600 -0.091 0.000 1.049 357 K CA 1.668 57.898 56.287 -0.096 0.000 0.931 357 K CB -0.608 31.855 32.500 -0.062 0.000 0.714 357 K HN 0.441 nan 8.250 nan 0.000 0.440 358 L N -0.047 121.136 121.223 -0.066 0.000 2.156 358 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 358 L C 2.119 178.960 176.870 -0.050 0.000 1.095 358 L CA 1.162 55.978 54.840 -0.040 0.000 0.770 358 L CB -0.292 41.759 42.059 -0.013 0.000 0.914 358 L HN 0.092 nan 8.230 nan 0.000 0.439 359 S N -0.874 114.777 115.700 -0.080 0.000 2.406 359 S HA -0.008 4.462 4.470 -0.001 0.000 0.228 359 S C 0.972 175.507 174.600 -0.108 0.000 1.020 359 S CA 0.545 58.696 58.200 -0.083 0.000 0.965 359 S CB 0.225 63.354 63.200 -0.118 0.000 0.798 359 S HN 0.164 nan 8.310 nan 0.000 0.488 360 V N 3.047 122.863 119.914 -0.163 0.000 2.361 360 V HA 0.207 4.327 4.120 -0.001 0.000 0.252 360 V C -1.692 174.207 176.094 -0.324 0.000 0.986 360 V CA -1.387 60.736 62.300 -0.295 0.000 1.033 360 V CB 0.744 32.380 31.823 -0.310 0.000 1.282 360 V HN 0.186 nan 8.190 nan 0.000 0.514 361 P HA -0.203 nan 4.420 nan 0.000 0.217 361 P C 1.010 177.919 177.300 -0.652 0.000 1.148 361 P CA 1.584 64.501 63.100 -0.305 0.000 0.828 361 P CB -0.012 31.639 31.700 -0.083 0.000 0.783 362 H N -1.039 117.724 119.070 -0.511 0.000 2.592 362 H HA 0.575 5.130 4.556 -0.001 0.000 0.291 362 H C 0.081 175.224 175.328 -0.309 0.000 1.052 362 H CA -0.397 55.350 56.048 -0.501 0.000 1.175 362 H CB -0.461 29.163 29.762 -0.231 0.000 1.378 362 H HN -0.002 nan 8.280 nan 0.000 0.576 363 A N 1.760 124.250 122.820 -0.550 0.000 2.340 363 A HA 0.409 4.729 4.320 -0.001 0.000 0.331 363 A C -0.009 177.428 177.584 -0.245 0.000 1.140 363 A CA -0.858 50.946 52.037 -0.389 0.000 0.801 363 A CB 1.245 20.004 19.000 -0.403 0.000 1.234 363 A HN 0.578 nan 8.150 nan 0.000 0.469 364 N N 0.771 119.366 118.700 -0.174 0.000 2.405 364 N HA 0.169 4.908 4.740 -0.001 0.000 0.269 364 N C -0.106 175.348 175.510 -0.094 0.000 1.249 364 N CA -0.368 52.612 53.050 -0.118 0.000 0.974 364 N CB 0.164 38.597 38.487 -0.090 0.000 1.204 364 N HN 0.445 nan 8.380 nan 0.000 0.565 365 D N -0.675 119.689 120.400 -0.061 0.000 2.133 365 D HA -0.146 4.494 4.640 -0.001 0.000 0.195 365 D C 1.673 177.960 176.300 -0.022 0.000 0.997 365 D CA 0.911 54.889 54.000 -0.036 0.000 0.840 365 D CB -0.273 40.515 40.800 -0.021 0.000 0.947 365 D HN 0.455 nan 8.370 nan 0.000 0.452 366 L N 0.671 121.878 121.223 -0.027 0.000 2.046 366 L HA 0.005 4.345 4.340 -0.001 0.000 0.208 366 L C 2.177 179.043 176.870 -0.007 0.000 1.077 366 L CA 2.025 56.859 54.840 -0.010 0.000 0.747 366 L CB -0.908 41.137 42.059 -0.023 0.000 0.896 366 L HN 0.072 nan 8.230 nan 0.000 0.432 367 G N -0.464 108.302 108.800 -0.056 0.000 2.421 367 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.216 367 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.216 367 G C 1.595 176.479 174.900 -0.027 0.000 1.171 367 G CA 1.071 46.124 45.100 -0.078 0.000 0.775 367 G HN 0.431 nan 8.290 nan 0.000 0.543 368 L N 0.476 121.675 121.223 -0.040 0.000 2.083 368 L HA -0.078 4.261 4.340 -0.001 0.000 0.209 368 L C 2.502 179.406 176.870 0.057 0.000 1.083 368 L CA 1.182 56.015 54.840 -0.012 0.000 0.752 368 L CB -0.397 41.644 42.059 -0.031 0.000 0.899 368 L HN 0.107 nan 8.230 nan 0.000 0.433 369 D N 0.204 120.644 120.400 0.067 0.000 2.144 369 D HA -0.139 4.500 4.640 -0.001 0.000 0.199 369 D C 2.246 178.634 176.300 0.147 0.000 0.984 369 D CA 1.462 55.528 54.000 0.110 0.000 0.834 369 D CB -0.017 40.833 40.800 0.084 0.000 0.955 369 D HN 0.308 nan 8.370 nan 0.000 0.465 370 A N 0.652 123.571 122.820 0.165 0.000 1.877 370 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 370 A C 2.551 180.254 177.584 0.198 0.000 1.186 370 A CA 1.323 53.520 52.037 0.266 0.000 0.620 370 A CB -0.789 18.464 19.000 0.422 0.000 0.822 370 A HN 0.140 nan 8.150 nan 0.000 0.443 371 V N -0.263 119.776 119.914 0.208 0.000 2.261 371 V HA -0.244 3.876 4.120 -0.001 0.000 0.246 371 V C 2.760 178.946 176.094 0.154 0.000 1.047 371 V CA 2.526 64.886 62.300 0.100 0.000 1.015 371 V CB -1.389 30.503 31.823 0.115 0.000 0.642 371 V HN 0.611 nan 8.190 nan 0.000 0.446 372 T N 0.648 115.319 114.554 0.195 0.000 2.665 372 T HA -0.245 4.104 4.350 -0.001 0.000 0.268 372 T C 1.896 176.763 174.700 0.278 0.000 1.035 372 T CA 2.088 64.378 62.100 0.317 0.000 1.151 372 T CB -0.430 68.629 68.868 0.317 0.000 0.862 372 T HN 0.297 nan 8.240 nan 0.000 0.438 373 L N 1.134 122.500 121.223 0.239 0.000 2.046 373 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 373 L C 2.476 179.389 176.870 0.072 0.000 1.077 373 L CA 1.820 56.821 54.840 0.268 0.000 0.747 373 L CB -0.873 41.305 42.059 0.199 0.000 0.896 373 L HN 0.121 nan 8.230 nan 0.000 0.432 374 Q N -1.169 118.566 119.800 -0.107 0.000 2.170 374 Q HA -0.188 4.152 4.340 -0.001 0.000 0.203 374 Q C 0.954 176.712 176.000 -0.402 0.000 0.976 374 Q CA 1.839 57.406 55.803 -0.393 0.000 0.858 374 Q CB -0.208 27.980 28.738 -0.916 0.000 0.907 374 Q HN 0.684 nan 8.270 nan 0.000 0.433 375 Y N -0.957 119.290 120.300 -0.088 0.000 2.636 375 Y HA 0.357 4.907 4.550 -0.001 0.000 0.260 375 Y C -0.360 175.472 175.900 -0.112 0.000 1.177 375 Y CA -0.236 57.861 58.100 -0.005 0.000 1.209 375 Y CB 0.859 39.424 38.460 0.175 0.000 1.166 375 Y HN -0.197 nan 8.280 nan 0.000 0.531 376 T N 0.426 114.866 114.554 -0.190 0.000 2.807 376 T HA 0.116 4.466 4.350 -0.001 0.000 0.279 376 T C -1.002 173.316 174.700 -0.638 0.000 0.993 376 T CA -0.715 61.031 62.100 -0.590 0.000 0.970 376 T CB 1.246 69.491 68.868 -1.039 0.000 0.950 376 T HN -0.010 nan 8.240 nan 0.000 0.441 377 D N 1.910 121.994 120.400 -0.528 0.000 2.393 377 D HA 0.126 4.765 4.640 -0.001 0.000 0.232 377 D C 0.126 176.194 176.300 -0.386 0.000 1.192 377 D CA -0.736 53.066 54.000 -0.331 0.000 0.882 377 D CB 0.399 41.079 40.800 -0.199 0.000 1.038 377 D HN 0.609 nan 8.370 nan 0.000 0.499 378 W N 3.060 124.319 121.300 -0.068 0.000 2.721 378 W HA 0.004 4.663 4.660 -0.001 0.000 0.245 378 W C 1.962 178.451 176.519 -0.049 0.000 1.276 378 W CA -0.025 57.285 57.345 -0.060 0.000 1.342 378 W CB -0.039 29.391 29.460 -0.050 0.000 1.135 378 W HN 0.403 nan 8.180 nan 0.000 0.654 379 M N -0.903 118.759 119.600 0.104 0.000 2.541 379 M HA 0.024 4.504 4.480 -0.001 0.000 0.252 379 M C 0.198 176.509 176.300 0.018 0.000 1.125 379 M CA 1.177 56.515 55.300 0.063 0.000 1.091 379 M CB 0.138 32.757 32.600 0.032 0.000 1.420 379 M HN -0.214 nan 8.290 nan 0.000 0.486 380 D N 0.254 120.635 120.400 -0.031 0.000 3.256 380 D HA -0.002 4.638 4.640 -0.001 0.000 0.332 380 D C 0.353 176.570 176.300 -0.139 0.000 1.327 380 D CA 0.023 53.985 54.000 -0.063 0.000 0.735 380 D CB 0.223 40.986 40.800 -0.061 0.000 1.280 380 D HN 0.197 nan 8.370 nan 0.000 0.572 381 D N -0.684 119.623 120.400 -0.155 0.000 2.351 381 D HA -0.137 4.503 4.640 -0.001 0.000 0.216 381 D C 0.318 176.482 176.300 -0.227 0.000 0.968 381 D CA 0.425 54.247 54.000 -0.295 0.000 0.899 381 D CB -0.052 40.576 40.800 -0.286 0.000 0.907 381 D HN 0.209 nan 8.370 nan 0.000 0.514 382 N N -0.103 118.520 118.700 -0.127 0.000 2.238 382 N HA 0.039 4.779 4.740 -0.001 0.000 0.222 382 N C -0.452 174.998 175.510 -0.100 0.000 1.133 382 N CA -0.269 52.720 53.050 -0.102 0.000 0.854 382 N CB 0.168 38.624 38.487 -0.052 0.000 1.041 382 N HN 0.227 nan 8.380 nan 0.000 0.510 383 N N -0.159 118.469 118.700 -0.120 0.000 2.405 383 N HA 0.078 4.818 4.740 -0.001 0.000 0.260 383 N C 1.414 176.861 175.510 -0.104 0.000 1.152 383 N CA -0.340 52.653 53.050 -0.096 0.000 0.948 383 N CB 0.667 39.099 38.487 -0.091 0.000 1.111 383 N HN 0.182 nan 8.380 nan 0.000 0.485 384 G N 4.295 113.043 108.800 -0.087 0.000 2.442 384 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.219 384 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.219 384 G C 1.338 176.187 174.900 -0.085 0.000 1.141 384 G CA 0.527 45.569 45.100 -0.098 0.000 0.763 384 G HN 0.607 nan 8.290 nan 0.000 0.554 385 I N 0.870 121.408 120.570 -0.054 0.000 2.202 385 I HA -0.080 4.090 4.170 -0.001 0.000 0.242 385 I C 2.597 178.719 176.117 0.008 0.000 1.091 385 I CA 1.219 62.511 61.300 -0.013 0.000 1.368 385 I CB -0.992 37.012 38.000 0.007 0.000 1.058 385 I HN 0.204 nan 8.210 nan 0.000 0.410 386 K N 0.744 121.129 120.400 -0.024 0.000 2.097 386 K HA -0.159 4.160 4.320 -0.001 0.000 0.206 386 K C 1.853 178.432 176.600 -0.036 0.000 1.049 386 K CA 1.526 57.794 56.287 -0.031 0.000 0.933 386 K CB -0.232 32.214 32.500 -0.091 0.000 0.717 386 K HN 0.455 nan 8.250 nan 0.000 0.442 387 N N 0.337 118.984 118.700 -0.088 0.000 2.142 387 N HA -0.147 4.593 4.740 -0.001 0.000 0.186 387 N C 1.957 177.594 175.510 0.213 0.000 1.023 387 N CA 0.519 53.534 53.050 -0.058 0.000 0.852 387 N CB 0.012 38.433 38.487 -0.110 0.000 0.998 387 N HN 0.136 nan 8.380 nan 0.000 0.424 388 R N 1.360 121.922 120.500 0.103 0.000 2.070 388 R HA -0.145 4.195 4.340 -0.001 0.000 0.232 388 R C 1.000 177.481 176.300 0.302 0.000 1.138 388 R CA 1.838 58.033 56.100 0.159 0.000 0.936 388 R CB -0.119 30.180 30.300 -0.003 0.000 0.839 388 R HN 0.149 nan 8.270 nan 0.000 0.429 389 D N -0.604 119.937 120.400 0.234 0.000 2.178 389 D HA -0.093 4.546 4.640 -0.001 0.000 0.201 389 D C 1.675 178.136 176.300 0.268 0.000 0.980 389 D CA 1.397 55.548 54.000 0.251 0.000 0.842 389 D CB -0.471 40.444 40.800 0.192 0.000 0.948 389 D HN 0.540 nan 8.370 nan 0.000 0.472 390 G N 0.569 109.540 108.800 0.286 0.000 2.404 390 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.215 390 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.215 390 G C 1.741 176.837 174.900 0.326 0.000 1.174 390 G CA 0.110 45.438 45.100 0.379 0.000 0.780 390 G HN 0.252 nan 8.290 nan 0.000 0.537 391 L N 0.236 121.667 121.223 0.347 0.000 2.046 391 L HA -0.075 4.264 4.340 -0.001 0.000 0.208 391 L C 2.617 179.533 176.870 0.077 0.000 1.077 391 L CA 1.291 56.206 54.840 0.127 0.000 0.747 391 L CB -0.262 41.930 42.059 0.221 0.000 0.896 391 L HN 0.188 nan 8.230 nan 0.000 0.432 392 D N 0.094 120.605 120.400 0.186 0.000 2.123 392 D HA -0.225 4.414 4.640 -0.001 0.000 0.196 392 D C 1.689 178.056 176.300 0.113 0.000 0.992 392 D CA 1.401 55.501 54.000 0.165 0.000 0.833 392 D CB 0.053 41.016 40.800 0.271 0.000 0.954 392 D HN 0.247 nan 8.370 nan 0.000 0.455 393 D N -0.189 120.298 120.400 0.145 0.000 2.117 393 D HA -0.070 4.570 4.640 -0.001 0.000 0.198 393 D C 2.353 178.648 176.300 -0.008 0.000 0.982 393 D CA 0.300 54.400 54.000 0.166 0.000 0.828 393 D CB -0.214 40.801 40.800 0.358 0.000 0.967 393 D HN 0.346 nan 8.370 nan 0.000 0.464 394 I N 0.535 120.946 120.570 -0.266 0.000 2.127 394 I HA -0.269 3.901 4.170 -0.001 0.000 0.241 394 I C 2.410 178.359 176.117 -0.280 0.000 1.075 394 I CA 0.804 61.853 61.300 -0.419 0.000 1.334 394 I CB -0.174 37.573 38.000 -0.422 0.000 1.040 394 I HN -0.100 nan 8.210 nan 0.000 0.405 395 V N 0.821 120.620 119.914 -0.192 0.000 2.295 395 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 395 V C 2.536 178.475 176.094 -0.258 0.000 1.049 395 V CA 2.233 64.414 62.300 -0.198 0.000 1.024 395 V CB -1.458 30.301 31.823 -0.107 0.000 0.648 395 V HN 0.590 nan 8.190 nan 0.000 0.447 396 G N -0.499 108.219 108.800 -0.135 0.000 2.402 396 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.216 396 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.216 396 G C 1.226 176.030 174.900 -0.160 0.000 1.162 396 G CA 0.935 45.974 45.100 -0.102 0.000 0.777 396 G HN 0.496 nan 8.290 nan 0.000 0.539 397 D N -0.210 120.099 120.400 -0.152 0.000 2.084 397 D HA -0.087 4.553 4.640 -0.001 0.000 0.194 397 D C 2.091 178.052 176.300 -0.566 0.000 0.990 397 D CA 1.309 55.192 54.000 -0.194 0.000 0.826 397 D CB -0.454 40.372 40.800 0.044 0.000 0.971 397 D HN 0.419 nan 8.370 nan 0.000 0.453 398 H N 0.811 119.235 119.070 -1.077 0.000 2.326 398 H HA 0.041 4.597 4.556 -0.001 0.000 0.301 398 H C 1.505 176.427 175.328 -0.677 0.000 1.081 398 H CA 1.694 56.978 56.048 -1.273 0.000 1.334 398 H CB 0.016 28.840 29.762 -1.562 0.000 1.385 398 H HN -0.013 nan 8.280 nan 0.000 0.504 399 N N -0.613 117.573 118.700 -0.858 0.000 2.415 399 N HA -0.017 4.723 4.740 -0.001 0.000 0.176 399 N C 1.167 176.379 175.510 -0.498 0.000 1.042 399 N CA 1.071 53.571 53.050 -0.916 0.000 0.902 399 N CB 0.974 38.415 38.487 -1.743 0.000 0.986 399 N HN 0.275 nan 8.380 nan 0.000 0.447 400 V N 0.469 120.168 119.914 -0.359 0.000 3.449 400 V HA 0.150 4.270 4.120 -0.001 0.000 0.208 400 V C 2.099 178.157 176.094 -0.061 0.000 1.269 400 V CA -0.112 62.124 62.300 -0.105 0.000 1.301 400 V CB 0.009 31.832 31.823 0.001 0.000 1.306 400 V HN -0.069 nan 8.190 nan 0.000 0.531 401 I N 0.716 121.264 120.570 -0.036 0.000 2.099 401 I HA -0.320 3.849 4.170 -0.001 0.000 0.239 401 I C 2.593 178.710 176.117 0.000 0.000 1.066 401 I CA 2.071 63.380 61.300 0.015 0.000 1.324 401 I CB -0.517 37.527 38.000 0.072 0.000 1.037 401 I HN 0.410 nan 8.210 nan 0.000 0.401 402 c N 0.633 119.219 118.600 -0.024 0.000 2.425 402 c HA -0.053 4.517 4.570 -0.001 0.000 0.277 402 c C 0.272 174.381 174.090 0.033 0.000 1.280 402 c CA 0.699 57.054 56.329 0.044 0.000 1.744 402 c CB -1.839 40.736 42.510 0.108 0.000 1.989 402 c HN 0.372 nan 8.230 nan 0.000 0.491 403 P HA -0.090 nan 4.420 nan 0.000 0.217 403 P C 1.764 179.087 177.300 0.038 0.000 1.150 403 P CA 1.048 64.116 63.100 -0.054 0.000 0.832 403 P CB -0.170 31.408 31.700 -0.204 0.000 0.787 404 L N -1.842 119.386 121.223 0.008 0.000 2.093 404 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 404 L C 2.034 178.948 176.870 0.073 0.000 1.085 404 L CA 1.585 56.449 54.840 0.041 0.000 0.755 404 L CB -0.496 41.560 42.059 -0.006 0.000 0.904 404 L HN -0.098 nan 8.230 nan 0.000 0.435 405 M N -1.034 118.598 119.600 0.054 0.000 2.229 405 M HA -0.207 4.273 4.480 -0.001 0.000 0.264 405 M C 2.233 178.593 176.300 0.100 0.000 1.063 405 M CA 1.589 56.917 55.300 0.047 0.000 1.114 405 M CB -1.538 31.104 32.600 0.070 0.000 1.387 405 M HN 0.425 nan 8.290 nan 0.000 0.420 406 H N -0.187 118.916 119.070 0.055 0.000 2.357 406 H HA -0.155 4.400 4.556 -0.001 0.000 0.301 406 H C 1.823 177.189 175.328 0.064 0.000 1.082 406 H CA 1.859 57.945 56.048 0.064 0.000 1.342 406 H CB -0.302 29.496 29.762 0.060 0.000 1.389 406 H HN 0.234 nan 8.280 nan 0.000 0.511 407 F N 0.062 119.970 119.950 -0.070 0.000 2.102 407 F HA -0.161 4.365 4.527 -0.001 0.000 0.298 407 F C 2.499 178.212 175.800 -0.143 0.000 1.105 407 F CA 1.515 59.429 58.000 -0.144 0.000 1.239 407 F CB -0.988 37.934 39.000 -0.130 0.000 0.991 407 F HN 0.129 nan 8.300 nan 0.000 0.474 408 V N 1.250 121.022 119.914 -0.235 0.000 2.343 408 V HA -0.298 3.821 4.120 -0.001 0.000 0.247 408 V C 2.220 178.137 176.094 -0.295 0.000 1.051 408 V CA 2.607 64.665 62.300 -0.404 0.000 1.036 408 V CB -0.665 30.865 31.823 -0.489 0.000 0.654 408 V HN 0.461 nan 8.190 nan 0.000 0.451 409 N N -0.142 118.475 118.700 -0.138 0.000 2.188 409 N HA -0.119 4.621 4.740 -0.001 0.000 0.184 409 N C 1.822 177.301 175.510 -0.051 0.000 1.018 409 N CA 1.222 54.292 53.050 0.034 0.000 0.858 409 N CB -0.224 38.315 38.487 0.086 0.000 0.989 409 N HN 0.439 nan 8.380 nan 0.000 0.426 410 K N 0.477 120.762 120.400 -0.192 0.000 2.057 410 K HA -0.105 4.214 4.320 -0.001 0.000 0.206 410 K C 1.946 178.521 176.600 -0.042 0.000 1.050 410 K CA 0.643 56.850 56.287 -0.134 0.000 0.935 410 K CB -0.718 31.638 32.500 -0.240 0.000 0.715 410 K HN 0.287 nan 8.250 nan 0.000 0.439 411 Y N 2.281 122.325 120.300 -0.427 0.000 2.163 411 Y HA -0.215 4.335 4.550 -0.000 0.000 0.288 411 Y C 2.245 178.127 175.900 -0.031 0.000 1.136 411 Y CA 1.948 59.793 58.100 -0.425 0.000 1.147 411 Y CB -0.443 37.429 38.460 -0.980 0.000 0.987 411 Y HN 0.022 nan 8.280 nan 0.000 0.509 412 T N 0.703 115.288 114.554 0.053 0.000 2.822 412 T HA -0.222 4.127 4.350 -0.001 0.000 0.270 412 T C 1.669 176.368 174.700 -0.002 0.000 1.064 412 T CA 1.805 63.968 62.100 0.104 0.000 1.131 412 T CB -0.225 68.806 68.868 0.271 0.000 0.858 412 T HN 0.359 nan 8.240 nan 0.000 0.483 413 K N -0.196 120.167 120.400 -0.061 0.000 2.147 413 K HA -0.006 4.314 4.320 -0.001 0.000 0.205 413 K C 1.368 177.690 176.600 -0.464 0.000 1.049 413 K CA 1.181 57.306 56.287 -0.268 0.000 0.936 413 K CB -0.080 32.204 32.500 -0.360 0.000 0.722 413 K HN 0.392 nan 8.250 nan 0.000 0.446 414 F N -0.159 119.732 119.950 -0.099 0.000 2.712 414 F HA 0.213 4.739 4.527 -0.001 0.000 0.297 414 F C 1.550 177.235 175.800 -0.191 0.000 1.114 414 F CA -0.487 57.416 58.000 -0.162 0.000 1.305 414 F CB -0.121 38.714 39.000 -0.275 0.000 1.086 414 F HN -0.096 nan 8.300 nan 0.000 0.599 415 G N 0.063 108.785 108.800 -0.130 0.000 2.712 415 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.258 415 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.258 415 G C 0.451 175.384 174.900 0.056 0.000 1.241 415 G CA -0.253 44.778 45.100 -0.115 0.000 0.923 415 G HN 0.318 nan 8.290 nan 0.000 0.548 416 N N -0.338 118.447 118.700 0.141 0.000 2.275 416 N HA 0.281 5.020 4.740 -0.001 0.000 0.236 416 N C 0.293 175.872 175.510 0.116 0.000 1.154 416 N CA 0.458 53.570 53.050 0.105 0.000 0.866 416 N CB 0.307 38.851 38.487 0.096 0.000 1.093 416 N HN 0.896 nan 8.380 nan 0.000 0.515 417 G N 0.554 109.433 108.800 0.133 0.000 2.196 417 G HA2 0.003 3.963 3.960 -0.001 0.000 0.215 417 G HA3 0.003 3.963 3.960 -0.001 0.000 0.215 417 G C -1.276 173.650 174.900 0.044 0.000 1.640 417 G CA -0.745 44.390 45.100 0.059 0.000 0.946 417 G HN 0.020 nan 8.290 nan 0.000 0.710 418 T N 1.636 116.096 114.554 -0.158 0.000 2.861 418 T HA 0.681 5.030 4.350 -0.001 0.000 0.287 418 T C -1.284 173.124 174.700 -0.487 0.000 1.003 418 T CA -0.339 61.663 62.100 -0.164 0.000 0.977 418 T CB 1.359 70.219 68.868 -0.013 0.000 0.996 418 T HN 0.419 nan 8.240 nan 0.000 0.448 419 Y N 2.085 122.266 120.300 -0.199 0.000 2.326 419 Y HA 0.627 5.177 4.550 -0.001 0.000 0.329 419 Y C -0.513 175.362 175.900 -0.042 0.000 0.973 419 Y CA -1.077 56.807 58.100 -0.361 0.000 1.162 419 Y CB 1.442 39.239 38.460 -1.105 0.000 1.147 419 Y HN 0.442 nan 8.280 nan 0.000 0.456 420 L N 5.897 127.436 121.223 0.526 0.000 2.334 420 L HA 0.652 4.992 4.340 -0.001 0.000 0.276 420 L C -1.224 176.155 176.870 0.848 0.000 1.014 420 L CA -0.945 54.193 54.840 0.496 0.000 0.815 420 L CB 0.813 43.021 42.059 0.248 0.000 1.268 420 L HN 0.520 nan 8.230 nan 0.000 0.428 421 Y N 3.024 123.670 120.300 0.577 0.000 2.576 421 Y HA 0.723 5.273 4.550 -0.001 0.000 0.346 421 Y C -1.813 174.379 175.900 0.487 0.000 1.018 421 Y CA -2.084 56.290 58.100 0.457 0.000 1.050 421 Y CB 1.305 39.971 38.460 0.342 0.000 1.280 421 Y HN 0.520 nan 8.280 nan 0.000 0.474 422 F N 4.292 124.604 119.950 0.603 0.000 2.610 422 F HA 0.460 4.987 4.527 -0.001 0.000 0.355 422 F C -1.903 174.216 175.800 0.531 0.000 1.140 422 F CA -1.824 56.458 58.000 0.470 0.000 1.037 422 F CB 0.674 39.937 39.000 0.439 0.000 1.287 422 F HN 0.564 nan 8.300 nan 0.000 0.457 423 F N 7.853 127.868 119.950 0.108 0.000 2.438 423 F HA 0.280 4.807 4.527 -0.001 0.000 0.360 423 F C 0.384 176.034 175.800 -0.250 0.000 1.118 423 F CA -0.227 57.776 58.000 0.006 0.000 1.164 423 F CB 0.479 39.556 39.000 0.129 0.000 1.131 423 F HN 0.538 nan 8.300 nan 0.000 0.527 424 N N 3.399 121.768 118.700 -0.551 0.000 2.433 424 N HA 0.065 4.804 4.740 -0.001 0.000 0.270 424 N C -1.120 174.159 175.510 -0.385 0.000 1.354 424 N CA -0.466 52.343 53.050 -0.400 0.000 0.889 424 N CB -0.661 37.750 38.487 -0.128 0.000 1.285 424 N HN 0.599 nan 8.380 nan 0.000 0.503 425 H N 0.715 119.248 119.070 -0.896 0.000 2.519 425 H HA 0.487 5.043 4.556 -0.001 0.000 0.316 425 H C -0.371 174.777 175.328 -0.299 0.000 1.065 425 H CA -0.637 55.058 56.048 -0.588 0.000 1.264 425 H CB 0.960 30.283 29.762 -0.731 0.000 1.413 425 H HN 0.132 nan 8.280 nan 0.000 0.465 426 R N 4.241 124.336 120.500 -0.675 0.000 2.210 426 R HA 0.503 4.842 4.340 -0.001 0.000 0.338 426 R C -0.714 175.278 176.300 -0.513 0.000 1.062 426 R CA -0.313 55.560 56.100 -0.378 0.000 0.902 426 R CB 0.135 30.316 30.300 -0.199 0.000 1.050 426 R HN 0.737 nan 8.270 nan 0.000 0.461 427 A N 3.476 126.260 122.820 -0.060 0.000 2.540 427 A HA 0.079 4.399 4.320 -0.001 0.000 0.239 427 A C 1.240 178.889 177.584 0.109 0.000 1.061 427 A CA 0.459 52.647 52.037 0.252 0.000 0.758 427 A CB 0.115 19.441 19.000 0.543 0.000 0.991 427 A HN 1.069 nan 8.150 nan 0.000 0.502 428 S N 1.635 117.434 115.700 0.165 0.000 2.419 428 S HA -0.177 4.293 4.470 -0.001 0.000 0.233 428 S C 0.950 175.538 174.600 -0.020 0.000 1.016 428 S CA 1.226 59.466 58.200 0.066 0.000 0.974 428 S CB -0.455 62.807 63.200 0.104 0.000 0.786 428 S HN 0.929 nan 8.310 nan 0.000 0.492 429 N N 0.978 119.622 118.700 -0.093 0.000 2.251 429 N HA 0.180 4.920 4.740 -0.001 0.000 0.217 429 N C 0.096 175.524 175.510 -0.137 0.000 1.124 429 N CA -0.403 52.538 53.050 -0.181 0.000 0.843 429 N CB -0.374 37.882 38.487 -0.386 0.000 1.024 429 N HN 0.299 nan 8.380 nan 0.000 0.501 430 L N 2.237 123.429 121.223 -0.053 0.000 2.540 430 L HA 0.007 4.347 4.340 -0.001 0.000 0.276 430 L C 1.348 178.174 176.870 -0.073 0.000 1.212 430 L CA 0.406 55.227 54.840 -0.031 0.000 0.893 430 L CB 0.934 42.996 42.059 0.004 0.000 1.138 430 L HN 0.192 nan 8.230 nan 0.000 0.491 431 V N 2.385 122.208 119.914 -0.151 0.000 3.235 431 V HA 0.051 4.171 4.120 -0.001 0.000 0.259 431 V C 0.766 176.821 176.094 -0.065 0.000 1.133 431 V CA -0.439 61.748 62.300 -0.188 0.000 1.128 431 V CB -0.819 30.735 31.823 -0.449 0.000 0.757 431 V HN 0.663 nan 8.190 nan 0.000 0.469 432 W N 2.001 123.295 121.300 -0.009 0.000 2.161 432 W HA 0.483 5.143 4.660 -0.001 0.000 0.344 432 W C -1.685 174.750 176.519 -0.139 0.000 1.262 432 W CA -2.061 55.259 57.345 -0.043 0.000 1.270 432 W CB -0.202 29.144 29.460 -0.191 0.000 1.126 432 W HN 0.008 nan 8.180 nan 0.000 0.598 433 P HA -0.094 nan 4.420 nan 0.000 0.269 433 P C 0.230 177.469 177.300 -0.102 0.000 1.217 433 P CA 0.320 63.408 63.100 -0.021 0.000 0.783 433 P CB 1.049 32.755 31.700 0.010 0.000 0.898 434 E N 1.870 122.083 120.200 0.021 0.000 2.110 434 E HA -0.160 4.190 4.350 -0.001 0.000 0.193 434 E C 1.772 178.418 176.600 0.077 0.000 0.988 434 E CA 1.580 58.007 56.400 0.046 0.000 0.804 434 E CB -0.699 29.059 29.700 0.096 0.000 0.745 434 E HN 0.631 nan 8.360 nan 0.000 0.458 435 W N -0.344 121.014 121.300 0.096 0.000 2.387 435 W HA -0.160 4.500 4.660 -0.001 0.000 0.272 435 W C 1.254 177.851 176.519 0.130 0.000 1.224 435 W CA 0.587 57.999 57.345 0.113 0.000 1.210 435 W CB -0.824 28.712 29.460 0.126 0.000 1.125 435 W HN 0.076 nan 8.180 nan 0.000 0.572 436 M N 1.304 120.569 119.600 -0.559 0.000 2.476 436 M HA 0.106 4.586 4.480 -0.001 0.000 0.262 436 M C 1.807 178.013 176.300 -0.157 0.000 1.079 436 M CA 1.560 56.514 55.300 -0.577 0.000 1.104 436 M CB -0.690 31.410 32.600 -0.834 0.000 1.409 436 M HN 0.177 nan 8.290 nan 0.000 0.467 437 G N 0.491 109.255 108.800 -0.061 0.000 2.596 437 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.295 437 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.295 437 G C -0.164 174.737 174.900 0.001 0.000 1.240 437 G CA -0.167 44.938 45.100 0.009 0.000 0.985 437 G HN 0.219 nan 8.290 nan 0.000 0.555 438 V N 1.956 121.901 119.914 0.052 0.000 2.322 438 V HA 0.400 4.520 4.120 -0.001 0.000 0.258 438 V C 1.056 177.261 176.094 0.185 0.000 1.074 438 V CA -0.090 62.278 62.300 0.113 0.000 0.909 438 V CB 0.104 31.976 31.823 0.082 0.000 1.090 438 V HN 0.532 nan 8.190 nan 0.000 0.486 439 I N 3.060 123.731 120.570 0.168 0.000 2.696 439 I HA 0.118 4.288 4.170 -0.001 0.000 0.284 439 I C 0.897 177.282 176.117 0.446 0.000 1.129 439 I CA -0.439 60.992 61.300 0.219 0.000 1.410 439 I CB 0.193 38.149 38.000 -0.073 0.000 1.399 439 I HN 0.562 nan 8.210 nan 0.000 0.579 440 H N 4.365 123.637 119.070 0.337 0.000 3.107 440 H HA 0.176 4.732 4.556 -0.001 0.000 0.301 440 H C 0.960 176.421 175.328 0.221 0.000 0.981 440 H CA 0.903 57.154 56.048 0.339 0.000 1.443 440 H CB 0.062 30.139 29.762 0.526 0.000 1.479 440 H HN 0.753 nan 8.280 nan 0.000 0.564 441 G N 3.830 112.577 108.800 -0.088 0.000 2.195 441 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.246 441 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.246 441 G C 0.565 175.467 174.900 0.004 0.000 0.984 441 G CA 0.346 45.351 45.100 -0.159 0.000 0.633 441 G HN 0.622 nan 8.290 nan 0.000 0.525 442 Y N 1.593 122.028 120.300 0.225 0.000 2.470 442 Y HA 0.252 4.802 4.550 -0.001 0.000 0.302 442 Y C 2.254 178.284 175.900 0.218 0.000 1.194 442 Y CA 0.938 59.218 58.100 0.299 0.000 1.271 442 Y CB 0.367 39.034 38.460 0.345 0.000 1.092 442 Y HN 0.534 nan 8.280 nan 0.000 0.513 443 E N -0.262 119.913 120.200 -0.042 0.000 2.415 443 E HA -0.029 4.320 4.350 -0.001 0.000 0.197 443 E C 1.637 178.160 176.600 -0.130 0.000 1.007 443 E CA 0.503 56.543 56.400 -0.599 0.000 0.890 443 E CB -0.413 28.676 29.700 -1.019 0.000 0.891 443 E HN 0.512 nan 8.360 nan 0.000 0.496 444 I N 2.877 123.474 120.570 0.044 0.000 2.118 444 I HA -0.324 3.845 4.170 -0.001 0.000 0.241 444 I C 2.666 178.835 176.117 0.087 0.000 1.070 444 I CA 2.253 63.633 61.300 0.132 0.000 1.327 444 I CB -0.523 37.598 38.000 0.203 0.000 1.034 444 I HN 0.227 nan 8.210 nan 0.000 0.405 445 E N 0.889 121.088 120.200 -0.001 0.000 2.209 445 E HA -0.246 4.104 4.350 -0.001 0.000 0.196 445 E C 2.008 178.456 176.600 -0.254 0.000 0.993 445 E CA 1.560 57.879 56.400 -0.135 0.000 0.819 445 E CB -0.521 29.085 29.700 -0.156 0.000 0.745 445 E HN 0.454 nan 8.360 nan 0.000 0.477 446 F N 0.967 120.822 119.950 -0.158 0.000 2.335 446 F HA -0.006 4.521 4.527 -0.001 0.000 0.296 446 F C 2.345 177.974 175.800 -0.284 0.000 1.091 446 F CA 0.477 58.344 58.000 -0.221 0.000 1.399 446 F CB -0.077 38.835 39.000 -0.147 0.000 1.067 446 F HN -0.135 nan 8.300 nan 0.000 0.520 447 V N -1.028 118.811 119.914 -0.125 0.000 2.515 447 V HA -0.258 3.862 4.120 -0.001 0.000 0.250 447 V C 1.599 177.516 176.094 -0.297 0.000 1.058 447 V CA 1.562 63.652 62.300 -0.350 0.000 1.064 447 V CB -0.623 31.034 31.823 -0.278 0.000 0.675 447 V HN 0.200 nan 8.190 nan 0.000 0.461 448 F N 0.465 120.284 119.950 -0.219 0.000 2.732 448 F HA 0.410 4.937 4.527 -0.001 0.000 0.303 448 F C 1.796 177.494 175.800 -0.171 0.000 1.110 448 F CA 0.522 58.416 58.000 -0.176 0.000 1.355 448 F CB -0.314 38.565 39.000 -0.203 0.000 1.081 448 F HN 0.251 nan 8.300 nan 0.000 0.565 449 G N 0.386 109.092 108.800 -0.156 0.000 2.198 449 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.260 449 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.260 449 G C 1.117 175.694 174.900 -0.539 0.000 1.025 449 G CA 0.346 45.276 45.100 -0.284 0.000 0.769 449 G HN 0.264 nan 8.290 nan 0.000 0.507 450 L N -0.320 120.561 121.223 -0.570 0.000 2.131 450 L HA -0.036 4.304 4.340 -0.001 0.000 0.210 450 L C 0.340 176.799 176.870 -0.684 0.000 1.092 450 L CA 2.438 56.891 54.840 -0.644 0.000 0.759 450 L CB -1.895 39.920 42.059 -0.408 0.000 0.903 450 L HN 0.189 nan 8.230 nan 0.000 0.435 451 P HA -0.130 nan 4.420 nan 0.000 0.223 451 P C 1.739 178.796 177.300 -0.405 0.000 1.144 451 P CA 0.776 63.269 63.100 -1.012 0.000 0.783 451 P CB 0.082 31.093 31.700 -1.149 0.000 0.771 452 L N -1.960 119.029 121.223 -0.391 0.000 2.465 452 L HA -0.042 4.298 4.340 -0.001 0.000 0.224 452 L C 0.685 177.440 176.870 -0.192 0.000 1.145 452 L CA 0.943 55.640 54.840 -0.238 0.000 0.834 452 L CB -0.667 41.269 42.059 -0.204 0.000 0.944 452 L HN -0.220 nan 8.230 nan 0.000 0.451 453 V N 0.744 120.509 119.914 -0.248 0.000 2.339 453 V HA 0.102 4.222 4.120 -0.001 0.000 0.261 453 V C 1.328 177.387 176.094 -0.058 0.000 1.058 453 V CA -0.719 61.490 62.300 -0.152 0.000 0.897 453 V CB 0.699 32.399 31.823 -0.204 0.000 1.052 453 V HN 0.226 nan 8.190 nan 0.000 0.480 454 K N 3.554 123.932 120.400 -0.038 0.000 2.059 454 K HA -0.249 4.070 4.320 -0.001 0.000 0.212 454 K C 1.767 178.354 176.600 -0.022 0.000 1.050 454 K CA 1.683 57.959 56.287 -0.018 0.000 0.927 454 K CB -0.047 32.441 32.500 -0.019 0.000 0.714 454 K HN 0.703 nan 8.250 nan 0.000 0.447 455 E N 0.721 120.902 120.200 -0.032 0.000 2.171 455 E HA -0.132 4.218 4.350 -0.001 0.000 0.197 455 E C 1.563 178.126 176.600 -0.062 0.000 0.997 455 E CA 0.603 56.977 56.400 -0.044 0.000 0.810 455 E CB -0.176 29.499 29.700 -0.042 0.000 0.738 455 E HN 0.056 nan 8.360 nan 0.000 0.467 456 L N 1.053 122.246 121.223 -0.050 0.000 2.610 456 L HA 0.030 4.370 4.340 -0.001 0.000 0.232 456 L C -0.481 176.281 176.870 -0.180 0.000 1.149 456 L CA 0.453 55.239 54.840 -0.090 0.000 0.872 456 L CB -2.172 39.904 42.059 0.029 0.000 0.992 456 L HN 0.250 nan 8.230 nan 0.000 0.447 457 N N -1.599 117.049 118.700 -0.087 0.000 2.637 457 N HA -0.303 4.437 4.740 -0.001 0.000 0.287 457 N C -0.611 174.809 175.510 -0.150 0.000 1.130 457 N CA 0.643 53.641 53.050 -0.088 0.000 0.764 457 N CB -2.214 36.213 38.487 -0.100 0.000 0.935 457 N HN 0.267 nan 8.380 nan 0.000 0.558 458 Y N -0.404 119.861 120.300 -0.057 0.000 2.618 458 Y HA 0.647 5.197 4.550 -0.001 0.000 0.326 458 Y C 1.593 177.494 175.900 0.001 0.000 1.168 458 Y CA -0.307 57.778 58.100 -0.025 0.000 1.269 458 Y CB 0.931 39.347 38.460 -0.072 0.000 1.388 458 Y HN 0.428 nan 8.280 nan 0.000 0.528 459 T N -2.064 112.627 114.554 0.228 0.000 2.881 459 T HA 0.492 4.842 4.350 -0.001 0.000 0.278 459 T C 1.048 175.810 174.700 0.103 0.000 0.982 459 T CA -0.228 61.952 62.100 0.133 0.000 0.989 459 T CB 1.319 70.265 68.868 0.131 0.000 1.058 459 T HN 0.742 nan 8.240 nan 0.000 0.529 460 A N 0.474 123.330 122.820 0.059 0.000 1.933 460 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 460 A C 2.137 179.736 177.584 0.025 0.000 1.175 460 A CA 1.618 53.674 52.037 0.031 0.000 0.628 460 A CB -1.065 17.946 19.000 0.019 0.000 0.814 460 A HN 0.910 nan 8.150 nan 0.000 0.444 461 E N 0.350 120.571 120.200 0.034 0.000 2.110 461 E HA -0.161 4.189 4.350 -0.001 0.000 0.193 461 E C 1.892 178.495 176.600 0.006 0.000 0.988 461 E CA 1.566 57.970 56.400 0.007 0.000 0.804 461 E CB -0.256 29.446 29.700 0.003 0.000 0.745 461 E HN 0.774 nan 8.360 nan 0.000 0.458 462 E N 0.356 120.605 120.200 0.082 0.000 2.152 462 E HA -0.175 4.175 4.350 -0.001 0.000 0.192 462 E C 2.004 178.664 176.600 0.100 0.000 0.983 462 E CA 0.757 57.278 56.400 0.202 0.000 0.818 462 E CB -0.008 29.939 29.700 0.413 0.000 0.758 462 E HN 0.327 nan 8.360 nan 0.000 0.467 463 E N 0.903 121.105 120.200 0.003 0.000 2.072 463 E HA -0.172 4.178 4.350 -0.001 0.000 0.191 463 E C 2.062 178.631 176.600 -0.052 0.000 0.985 463 E CA 0.877 57.231 56.400 -0.077 0.000 0.801 463 E CB -0.012 29.651 29.700 -0.061 0.000 0.750 463 E HN 0.199 nan 8.360 nan 0.000 0.452 464 A N 1.216 124.019 122.820 -0.029 0.000 1.902 464 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 464 A C 2.124 179.682 177.584 -0.043 0.000 1.181 464 A CA 1.238 53.250 52.037 -0.042 0.000 0.623 464 A CB -0.620 18.358 19.000 -0.037 0.000 0.818 464 A HN 0.379 nan 8.150 nan 0.000 0.443 465 L N -0.115 121.099 121.223 -0.015 0.000 2.017 465 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 465 L C 2.562 179.456 176.870 0.041 0.000 1.073 465 L CA 2.684 57.516 54.840 -0.013 0.000 0.745 465 L CB -0.981 41.038 42.059 -0.065 0.000 0.894 465 L HN 0.344 nan 8.230 nan 0.000 0.432 466 S N -0.663 115.114 115.700 0.129 0.000 2.359 466 S HA -0.230 4.240 4.470 -0.001 0.000 0.224 466 S C 2.199 176.755 174.600 -0.073 0.000 1.035 466 S CA 1.497 59.728 58.200 0.052 0.000 1.018 466 S CB -0.252 62.874 63.200 -0.123 0.000 0.876 466 S HN 0.551 nan 8.310 nan 0.000 0.448 467 R N 0.219 120.669 120.500 -0.083 0.000 2.081 467 R HA -0.042 4.297 4.340 -0.001 0.000 0.235 467 R C 2.732 178.968 176.300 -0.107 0.000 1.131 467 R CA 1.649 57.692 56.100 -0.094 0.000 0.960 467 R CB -0.322 29.921 30.300 -0.095 0.000 0.856 467 R HN 0.398 nan 8.270 nan 0.000 0.436 468 R N 0.848 121.262 120.500 -0.143 0.000 2.075 468 R HA -0.069 4.270 4.340 -0.001 0.000 0.232 468 R C 2.134 178.229 176.300 -0.342 0.000 1.126 468 R CA 1.291 57.222 56.100 -0.282 0.000 0.963 468 R CB -0.145 29.994 30.300 -0.269 0.000 0.858 468 R HN 0.171 nan 8.270 nan 0.000 0.435 469 I N 0.204 120.684 120.570 -0.150 0.000 2.252 469 I HA -0.286 3.884 4.170 -0.001 0.000 0.245 469 I C 2.345 178.372 176.117 -0.149 0.000 1.102 469 I CA 1.262 62.495 61.300 -0.112 0.000 1.385 469 I CB -0.123 37.686 38.000 -0.319 0.000 1.064 469 I HN 0.286 nan 8.210 nan 0.000 0.414 470 M N -0.606 118.897 119.600 -0.161 0.000 2.159 470 M HA -0.255 4.225 4.480 -0.001 0.000 0.263 470 M C 2.405 178.749 176.300 0.073 0.000 1.063 470 M CA 1.733 56.972 55.300 -0.102 0.000 1.110 470 M CB -0.738 31.804 32.600 -0.098 0.000 1.374 470 M HN 0.279 nan 8.290 nan 0.000 0.411 471 H N -0.370 118.676 119.070 -0.039 0.000 2.428 471 H HA -0.121 4.435 4.556 -0.001 0.000 0.296 471 H C 1.517 176.944 175.328 0.165 0.000 1.062 471 H CA 1.736 57.786 56.048 0.004 0.000 1.350 471 H CB 0.027 29.738 29.762 -0.085 0.000 1.403 471 H HN 0.258 nan 8.280 nan 0.000 0.533 472 Y N -0.846 119.583 120.300 0.216 0.000 2.114 472 Y HA -0.234 4.316 4.550 -0.001 0.000 0.284 472 Y C 2.535 178.639 175.900 0.340 0.000 1.143 472 Y CA 1.119 59.399 58.100 0.300 0.000 1.135 472 Y CB -1.057 37.772 38.460 0.616 0.000 0.980 472 Y HN 0.344 nan 8.280 nan 0.000 0.499 473 W N -0.483 120.923 121.300 0.177 0.000 2.335 473 W HA -0.242 4.418 4.660 -0.000 0.000 0.311 473 W C 2.561 179.081 176.519 0.002 0.000 1.213 473 W CA 1.107 58.484 57.345 0.054 0.000 1.274 473 W CB -0.447 28.984 29.460 -0.049 0.000 1.148 473 W HN 0.059 nan 8.180 nan 0.000 0.498 474 A N -0.195 122.738 122.820 0.188 0.000 1.929 474 A HA -0.136 4.184 4.320 -0.001 0.000 0.216 474 A C 1.803 179.375 177.584 -0.020 0.000 1.176 474 A CA 2.054 54.117 52.037 0.043 0.000 0.628 474 A CB -1.106 17.910 19.000 0.027 0.000 0.816 474 A HN 0.189 nan 8.150 nan 0.000 0.444 475 T N -0.780 113.724 114.554 -0.084 0.000 2.821 475 T HA -0.090 4.260 4.350 -0.001 0.000 0.267 475 T C 1.590 176.248 174.700 -0.069 0.000 1.046 475 T CA 1.456 63.470 62.100 -0.143 0.000 1.139 475 T CB -0.360 68.349 68.868 -0.264 0.000 0.871 475 T HN 0.507 nan 8.240 nan 0.000 0.454 476 F N 2.373 122.235 119.950 -0.148 0.000 2.146 476 F HA 0.057 4.584 4.527 -0.001 0.000 0.298 476 F C 2.421 178.144 175.800 -0.128 0.000 1.096 476 F CA 0.945 58.828 58.000 -0.196 0.000 1.275 476 F CB -0.655 38.175 39.000 -0.282 0.000 1.008 476 F HN 0.132 nan 8.300 nan 0.000 0.480 477 A N 0.337 123.086 122.820 -0.119 0.000 1.940 477 A HA -0.240 4.080 4.320 -0.001 0.000 0.219 477 A C 2.339 179.803 177.584 -0.200 0.000 1.176 477 A CA 1.949 53.879 52.037 -0.178 0.000 0.631 477 A CB -0.844 18.124 19.000 -0.053 0.000 0.814 477 A HN 0.516 nan 8.150 nan 0.000 0.446 478 K N -0.911 119.400 120.400 -0.148 0.000 2.116 478 K HA -0.098 4.222 4.320 -0.001 0.000 0.203 478 K C 1.821 178.336 176.600 -0.142 0.000 1.052 478 K CA 1.843 58.062 56.287 -0.113 0.000 0.952 478 K CB -0.067 32.391 32.500 -0.071 0.000 0.729 478 K HN 0.605 nan 8.250 nan 0.000 0.446 479 T N -5.059 109.382 114.554 -0.189 0.000 2.955 479 T HA 0.257 4.606 4.350 -0.001 0.000 0.251 479 T C 1.125 175.686 174.700 -0.232 0.000 1.002 479 T CA 0.513 62.512 62.100 -0.168 0.000 0.970 479 T CB 0.907 69.708 68.868 -0.112 0.000 1.091 479 T HN 0.303 nan 8.240 nan 0.000 0.495 480 G N 1.422 109.954 108.800 -0.447 0.000 2.144 480 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.218 480 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.218 480 G C -0.183 174.633 174.900 -0.141 0.000 0.988 480 G CA -0.012 44.761 45.100 -0.545 0.000 0.659 480 G HN 0.902 nan 8.290 nan 0.000 0.522 481 N N -0.097 118.519 118.700 -0.140 0.000 2.478 481 N HA 0.479 5.219 4.740 -0.001 0.000 0.291 481 N C -1.656 173.719 175.510 -0.225 0.000 1.090 481 N CA -1.413 51.524 53.050 -0.188 0.000 0.911 481 N CB 2.071 40.518 38.487 -0.067 0.000 1.546 481 N HN -0.098 nan 8.380 nan 0.000 0.500 482 P HA -0.071 nan 4.420 nan 0.000 0.226 482 P C -0.652 176.680 177.300 0.054 0.000 1.153 482 P CA 0.646 63.649 63.100 -0.162 0.000 0.777 482 P CB 0.170 31.613 31.700 -0.430 0.000 0.794 483 N N 1.716 120.397 118.700 -0.032 0.000 2.514 483 N HA 0.072 4.812 4.740 -0.001 0.000 0.277 483 N C 0.141 175.691 175.510 0.066 0.000 1.126 483 N CA 0.049 53.164 53.050 0.109 0.000 0.978 483 N CB 0.704 39.250 38.487 0.097 0.000 1.106 483 N HN 0.038 nan 8.380 nan 0.000 0.461 484 E N 2.793 123.066 120.200 0.121 0.000 2.299 484 E HA 0.192 4.542 4.350 -0.001 0.000 0.272 484 E C -2.359 174.268 176.600 0.045 0.000 1.043 484 E CA -1.534 54.926 56.400 0.102 0.000 0.895 484 E CB 0.357 30.171 29.700 0.189 0.000 1.011 484 E HN 0.264 nan 8.360 nan 0.000 0.432 485 P HA -0.027 nan 4.420 nan 0.000 0.264 485 P C -0.950 176.261 177.300 -0.149 0.000 1.193 485 P CA 0.497 63.472 63.100 -0.209 0.000 0.763 485 P CB 0.360 31.902 31.700 -0.262 0.000 0.810 486 H N -1.372 117.735 119.070 0.061 0.000 2.862 486 H HA -0.147 4.409 4.556 -0.001 0.000 0.290 486 H C 0.409 175.772 175.328 0.060 0.000 1.211 486 H CA 0.865 56.946 56.048 0.055 0.000 1.140 486 H CB -1.846 27.942 29.762 0.044 0.000 1.341 486 H HN 0.399 nan 8.280 nan 0.000 0.392 487 S N -0.256 115.524 115.700 0.133 0.000 2.652 487 S HA 0.255 4.724 4.470 -0.001 0.000 0.270 487 S C 1.332 175.995 174.600 0.105 0.000 1.243 487 S CA -0.472 57.799 58.200 0.119 0.000 0.999 487 S CB 1.250 64.523 63.200 0.121 0.000 0.973 487 S HN 0.297 nan 8.310 nan 0.000 0.544 488 Q N 0.745 120.598 119.800 0.087 0.000 2.282 488 Q HA 0.255 4.595 4.340 -0.001 0.000 0.206 488 Q C -0.216 175.828 176.000 0.074 0.000 0.878 488 Q CA 0.232 56.078 55.803 0.073 0.000 0.944 488 Q CB 0.118 28.889 28.738 0.055 0.000 1.100 488 Q HN 0.613 nan 8.270 nan 0.000 0.509 489 E N 1.052 121.306 120.200 0.089 0.000 2.345 489 E HA 0.206 4.556 4.350 -0.001 0.000 0.259 489 E C -0.114 176.558 176.600 0.120 0.000 1.117 489 E CA -0.229 56.230 56.400 0.099 0.000 0.913 489 E CB 0.636 30.407 29.700 0.117 0.000 1.057 489 E HN -0.122 nan 8.360 nan 0.000 0.432 490 S N 1.573 117.345 115.700 0.121 0.000 2.549 490 S HA 0.056 4.526 4.470 -0.001 0.000 0.286 490 S C 0.235 174.944 174.600 0.181 0.000 1.314 490 S CA -0.202 58.072 58.200 0.123 0.000 1.062 490 S CB 0.340 63.599 63.200 0.098 0.000 0.865 490 S HN 0.150 nan 8.310 nan 0.000 0.498 491 K N 2.270 122.772 120.400 0.170 0.000 2.227 491 K HA 0.128 4.447 4.320 -0.001 0.000 0.280 491 K C -0.438 176.336 176.600 0.290 0.000 1.041 491 K CA -0.447 55.973 56.287 0.222 0.000 0.905 491 K CB 0.630 33.236 32.500 0.178 0.000 1.068 491 K HN 0.681 nan 8.250 nan 0.000 0.470 492 W N 7.588 128.948 121.300 0.099 0.000 2.605 492 W HA 0.123 4.783 4.660 -0.000 0.000 0.327 492 W C -2.243 174.399 176.519 0.206 0.000 1.332 492 W CA -2.400 54.994 57.345 0.083 0.000 1.403 492 W CB -0.131 29.276 29.460 -0.089 0.000 1.452 492 W HN 0.379 nan 8.180 nan 0.000 0.503 493 P HA 0.071 nan 4.420 nan 0.000 0.275 493 P C 0.007 177.510 177.300 0.338 0.000 1.228 493 P CA -0.190 63.144 63.100 0.391 0.000 0.786 493 P CB 1.532 33.379 31.700 0.246 0.000 0.927 494 L N 2.590 123.874 121.223 0.102 0.000 2.483 494 L HA 0.096 4.436 4.340 -0.001 0.000 0.275 494 L C 0.828 177.688 176.870 -0.016 0.000 1.220 494 L CA -0.271 54.429 54.840 -0.233 0.000 0.833 494 L CB -0.141 41.792 42.059 -0.211 0.000 1.102 494 L HN 0.372 nan 8.230 nan 0.000 0.490 495 F N 2.373 122.212 119.950 -0.185 0.000 2.410 495 F HA 0.412 4.938 4.527 -0.001 0.000 0.349 495 F C 0.255 176.022 175.800 -0.054 0.000 1.117 495 F CA -0.538 57.447 58.000 -0.025 0.000 1.104 495 F CB 1.154 40.163 39.000 0.016 0.000 1.122 495 F HN 0.441 nan 8.300 nan 0.000 0.483 496 T N 0.655 114.900 114.554 -0.515 0.000 2.908 496 T HA 0.269 4.619 4.350 -0.001 0.000 0.290 496 T C 1.029 175.427 174.700 -0.502 0.000 1.034 496 T CA -0.016 61.889 62.100 -0.325 0.000 1.010 496 T CB 1.332 70.085 68.868 -0.191 0.000 1.068 496 T HN 0.711 nan 8.240 nan 0.000 0.481 497 T N -0.923 113.509 114.554 -0.204 0.000 2.849 497 T HA -0.109 4.241 4.350 -0.001 0.000 0.270 497 T C 1.656 176.255 174.700 -0.168 0.000 1.066 497 T CA 0.766 62.785 62.100 -0.135 0.000 1.130 497 T CB -0.283 68.552 68.868 -0.055 0.000 0.864 497 T HN 0.511 nan 8.240 nan 0.000 0.481 498 K N 0.976 121.276 120.400 -0.167 0.000 2.005 498 K HA -0.002 4.317 4.320 -0.001 0.000 0.206 498 K C 2.373 178.887 176.600 -0.143 0.000 1.044 498 K CA 1.301 57.513 56.287 -0.124 0.000 0.942 498 K CB -0.188 32.256 32.500 -0.093 0.000 0.727 498 K HN 0.400 nan 8.250 nan 0.000 0.439 499 E N 0.827 120.917 120.200 -0.183 0.000 2.170 499 E HA -0.070 4.280 4.350 -0.001 0.000 0.191 499 E C 0.121 176.595 176.600 -0.209 0.000 0.981 499 E CA 0.197 56.506 56.400 -0.152 0.000 0.830 499 E CB -0.040 29.591 29.700 -0.115 0.000 0.775 499 E HN 0.314 nan 8.360 nan 0.000 0.470 500 Q N 0.754 120.255 119.800 -0.498 0.000 2.453 500 Q HA -0.197 4.143 4.340 -0.001 0.000 0.294 500 Q C -0.617 175.322 176.000 -0.102 0.000 1.295 500 Q CA 0.668 56.030 55.803 -0.735 0.000 0.853 500 Q CB -1.611 26.969 28.738 -0.263 0.000 1.193 500 Q HN 0.205 nan 8.270 nan 0.000 0.461 501 K N 0.546 120.924 120.400 -0.037 0.000 2.202 501 K HA 0.579 4.899 4.320 -0.001 0.000 0.264 501 K C 0.014 176.938 176.600 0.540 0.000 1.010 501 K CA 0.092 56.506 56.287 0.212 0.000 0.940 501 K CB 0.488 33.050 32.500 0.103 0.000 0.983 501 K HN 0.210 nan 8.250 nan 0.000 0.475 502 F N -0.310 119.821 119.950 0.301 0.000 2.711 502 F HA 0.613 5.139 4.527 -0.001 0.000 0.313 502 F C -1.145 174.780 175.800 0.208 0.000 1.141 502 F CA -1.522 56.695 58.000 0.362 0.000 0.941 502 F CB 0.717 39.934 39.000 0.361 0.000 1.349 502 F HN 0.425 nan 8.300 nan 0.000 0.464 503 I N -0.877 119.799 120.570 0.176 0.000 2.957 503 I HA 0.658 4.827 4.170 -0.001 0.000 0.310 503 I C -1.256 174.979 176.117 0.197 0.000 1.063 503 I CA -0.887 60.346 61.300 -0.112 0.000 1.033 503 I CB 2.141 39.867 38.000 -0.456 0.000 1.230 503 I HN 0.447 nan 8.210 nan 0.000 0.447 504 D N 3.581 124.078 120.400 0.161 0.000 2.253 504 D HA 0.529 5.169 4.640 -0.001 0.000 0.249 504 D C -0.728 175.650 176.300 0.131 0.000 1.049 504 D CA 0.045 54.239 54.000 0.324 0.000 0.929 504 D CB 2.430 43.423 40.800 0.323 0.000 1.176 504 D HN 0.440 nan 8.370 nan 0.000 0.437 505 L N 2.762 124.066 121.223 0.136 0.000 2.353 505 L HA 0.301 4.641 4.340 -0.001 0.000 0.270 505 L C -0.483 176.302 176.870 -0.141 0.000 1.003 505 L CA -0.563 54.303 54.840 0.042 0.000 0.862 505 L CB 0.480 42.639 42.059 0.167 0.000 1.221 505 L HN 0.440 nan 8.230 nan 0.000 0.430 506 N N -0.975 117.643 118.700 -0.138 0.000 3.277 506 N HA 0.184 4.924 4.740 -0.001 0.000 0.278 506 N C 0.371 175.758 175.510 -0.205 0.000 1.544 506 N CA -0.354 52.555 53.050 -0.236 0.000 0.869 506 N CB 0.553 38.969 38.487 -0.119 0.000 1.584 506 N HN 0.125 nan 8.380 nan 0.000 0.564 507 T N -3.797 110.595 114.554 -0.270 0.000 3.163 507 T HA 0.142 4.492 4.350 -0.001 0.000 0.260 507 T C -0.077 174.579 174.700 -0.074 0.000 1.156 507 T CA 0.709 62.692 62.100 -0.194 0.000 1.072 507 T CB -0.438 68.290 68.868 -0.234 0.000 0.937 507 T HN 0.468 nan 8.240 nan 0.000 0.528 508 E N 1.801 121.977 120.200 -0.040 0.000 2.254 508 E HA 0.495 4.845 4.350 -0.001 0.000 0.261 508 E C -2.656 173.943 176.600 -0.002 0.000 1.051 508 E CA -2.486 53.911 56.400 -0.005 0.000 0.902 508 E CB 0.008 29.719 29.700 0.019 0.000 1.168 508 E HN 0.110 nan 8.360 nan 0.000 0.423 509 P HA -0.038 nan 4.420 nan 0.000 0.264 509 P C -0.381 176.921 177.300 0.003 0.000 1.193 509 P CA 0.235 63.340 63.100 0.008 0.000 0.763 509 P CB 0.322 32.027 31.700 0.009 0.000 0.810 510 M N 3.829 123.434 119.600 0.007 0.000 2.240 510 M HA -0.064 4.415 4.480 -0.001 0.000 0.346 510 M C -0.395 175.869 176.300 -0.060 0.000 1.236 510 M CA 1.268 56.559 55.300 -0.015 0.000 0.986 510 M CB -0.006 32.602 32.600 0.013 0.000 1.786 510 M HN 0.248 nan 8.290 nan 0.000 0.457 511 K N 4.152 124.477 120.400 -0.124 0.000 2.427 511 K HA 0.555 4.875 4.320 -0.001 0.000 0.252 511 K C -1.524 174.782 176.600 -0.490 0.000 0.931 511 K CA -0.951 55.180 56.287 -0.261 0.000 0.793 511 K CB 2.499 34.858 32.500 -0.234 0.000 1.211 511 K HN 0.474 nan 8.250 nan 0.000 0.426 512 V N 4.011 123.626 119.914 -0.499 0.000 2.439 512 V HA 0.301 4.420 4.120 -0.001 0.000 0.282 512 V C -0.064 175.587 176.094 -0.738 0.000 1.039 512 V CA -0.498 61.502 62.300 -0.501 0.000 0.913 512 V CB 0.930 32.624 31.823 -0.216 0.000 0.983 512 V HN 0.706 nan 8.190 nan 0.000 0.460 513 H N 3.153 121.888 119.070 -0.559 0.000 2.927 513 H HA 0.690 5.246 4.556 -0.001 0.000 0.316 513 H C -0.992 174.101 175.328 -0.392 0.000 1.403 513 H CA -0.846 54.860 56.048 -0.569 0.000 1.288 513 H CB 2.112 31.333 29.762 -0.902 0.000 1.944 513 H HN 0.584 nan 8.280 nan 0.000 0.629 514 Q N 0.066 119.935 119.800 0.115 0.000 2.416 514 Q HA 0.377 4.716 4.340 -0.001 0.000 0.281 514 Q C -0.732 175.503 176.000 0.393 0.000 1.067 514 Q CA -0.957 55.010 55.803 0.272 0.000 0.809 514 Q CB 2.924 31.731 28.738 0.115 0.000 1.418 514 Q HN 0.468 nan 8.270 nan 0.000 0.411 515 R N 0.864 121.573 120.500 0.347 0.000 3.146 515 R HA -0.200 4.140 4.340 -0.001 0.000 0.250 515 R C -0.515 175.906 176.300 0.202 0.000 0.912 515 R CA -0.017 56.227 56.100 0.240 0.000 0.633 515 R CB -1.599 28.790 30.300 0.149 0.000 1.180 515 R HN 0.598 nan 8.270 nan 0.000 0.464 516 L N 1.407 122.685 121.223 0.093 0.000 2.628 516 L HA -0.060 4.280 4.340 -0.001 0.000 0.274 516 L C 1.220 178.027 176.870 -0.104 0.000 1.209 516 L CA 0.442 55.120 54.840 -0.271 0.000 0.930 516 L CB 0.102 41.656 42.059 -0.842 0.000 1.183 516 L HN 0.500 nan 8.230 nan 0.000 0.492 517 R N 2.597 123.047 120.500 -0.082 0.000 3.610 517 R HA -0.213 4.127 4.340 -0.001 0.000 0.274 517 R C 0.915 177.261 176.300 0.078 0.000 1.123 517 R CA 0.834 56.939 56.100 0.010 0.000 0.747 517 R CB -1.623 28.698 30.300 0.035 0.000 1.149 517 R HN 0.646 nan 8.270 nan 0.000 0.471 518 V N -0.450 119.510 119.914 0.076 0.000 2.332 518 V HA -0.315 3.805 4.120 -0.001 0.000 0.248 518 V C 2.131 178.290 176.094 0.109 0.000 1.055 518 V CA 2.563 64.925 62.300 0.103 0.000 1.038 518 V CB -0.050 31.830 31.823 0.096 0.000 0.651 518 V HN 0.641 nan 8.190 nan 0.000 0.450 519 Q N -0.820 119.028 119.800 0.079 0.000 2.030 519 Q HA -0.195 4.145 4.340 -0.001 0.000 0.204 519 Q C 2.101 178.161 176.000 0.101 0.000 0.986 519 Q CA 2.348 58.186 55.803 0.059 0.000 0.843 519 Q CB -0.331 28.412 28.738 0.008 0.000 0.904 519 Q HN 0.513 nan 8.270 nan 0.000 0.420 520 M N -1.095 118.588 119.600 0.139 0.000 2.175 520 M HA -0.115 4.365 4.480 -0.001 0.000 0.264 520 M C 2.308 178.903 176.300 0.491 0.000 1.063 520 M CA 0.853 56.319 55.300 0.276 0.000 1.119 520 M CB -1.140 31.676 32.600 0.359 0.000 1.377 520 M HN 0.321 nan 8.290 nan 0.000 0.415 521 c N -0.398 118.427 118.600 0.375 0.000 2.448 521 c HA -0.021 4.549 4.570 -0.001 0.000 0.280 521 c C 2.910 177.186 174.090 0.309 0.000 1.398 521 c CA 0.226 56.784 56.329 0.380 0.000 1.774 521 c CB -0.868 41.792 42.510 0.249 0.000 1.888 521 c HN 0.311 nan 8.230 nan 0.000 0.519 522 V N 0.440 120.499 119.914 0.242 0.000 2.515 522 V HA -0.191 3.929 4.120 -0.001 0.000 0.250 522 V C 2.005 178.222 176.094 0.205 0.000 1.058 522 V CA 1.967 64.379 62.300 0.188 0.000 1.064 522 V CB -0.736 31.171 31.823 0.139 0.000 0.675 522 V HN 0.577 nan 8.190 nan 0.000 0.461 523 F N -0.035 119.964 119.950 0.082 0.000 2.084 523 F HA -0.153 4.373 4.527 -0.000 0.000 0.296 523 F C 1.964 177.759 175.800 -0.008 0.000 1.111 523 F CA 1.621 59.622 58.000 0.001 0.000 1.224 523 F CB -0.393 38.497 39.000 -0.183 0.000 0.991 523 F HN 0.163 nan 8.300 nan 0.000 0.471 524 W N 0.847 122.231 121.300 0.139 0.000 2.418 524 W HA -0.026 4.633 4.660 -0.001 0.000 0.292 524 W C 2.188 178.676 176.519 -0.051 0.000 1.213 524 W CA 1.407 58.761 57.345 0.015 0.000 1.283 524 W CB -0.709 28.879 29.460 0.213 0.000 1.119 524 W HN 0.029 nan 8.180 nan 0.000 0.542 525 N N -1.063 117.758 118.700 0.201 0.000 2.395 525 N HA -0.071 4.668 4.740 -0.001 0.000 0.175 525 N C 1.435 176.943 175.510 -0.002 0.000 1.029 525 N CA 0.674 53.756 53.050 0.053 0.000 0.897 525 N CB 0.064 38.600 38.487 0.083 0.000 0.991 525 N HN 0.072 nan 8.380 nan 0.000 0.441 526 Q N -0.557 119.261 119.800 0.029 0.000 2.652 526 Q HA 0.222 4.562 4.340 -0.001 0.000 0.211 526 Q C 1.232 177.229 176.000 -0.006 0.000 0.858 526 Q CA 0.205 56.024 55.803 0.027 0.000 0.895 526 Q CB -0.382 28.408 28.738 0.086 0.000 1.194 526 Q HN 0.141 nan 8.270 nan 0.000 0.645 527 F N 0.873 120.729 119.950 -0.157 0.000 2.060 527 F HA -0.155 4.371 4.527 -0.001 0.000 0.295 527 F C 1.825 177.429 175.800 -0.326 0.000 1.120 527 F CA 1.091 58.965 58.000 -0.210 0.000 1.205 527 F CB -0.531 38.366 39.000 -0.172 0.000 0.986 527 F HN 0.163 nan 8.300 nan 0.000 0.470 528 L N 1.138 121.935 121.223 -0.711 0.000 2.013 528 L HA -0.148 4.191 4.340 -0.001 0.000 0.212 528 L C -0.823 175.762 176.870 -0.475 0.000 1.073 528 L CA 2.363 56.736 54.840 -0.777 0.000 0.753 528 L CB -1.975 39.548 42.059 -0.894 0.000 0.890 528 L HN 0.036 nan 8.230 nan 0.000 0.432 529 P HA -0.204 nan 4.420 nan 0.000 0.215 529 P C 1.535 178.707 177.300 -0.213 0.000 1.153 529 P CA 1.612 64.603 63.100 -0.182 0.000 0.853 529 P CB -0.056 31.572 31.700 -0.120 0.000 0.788 530 K N -0.286 119.958 120.400 -0.260 0.000 2.057 530 K HA -0.151 4.168 4.320 -0.001 0.000 0.207 530 K C 2.043 178.461 176.600 -0.304 0.000 1.049 530 K CA 1.080 57.225 56.287 -0.236 0.000 0.931 530 K CB -0.783 31.592 32.500 -0.209 0.000 0.714 530 K HN 0.042 nan 8.250 nan 0.000 0.440 531 L N 0.987 121.906 121.223 -0.507 0.000 1.994 531 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 531 L C 2.056 178.763 176.870 -0.272 0.000 1.071 531 L CA 1.353 55.910 54.840 -0.470 0.000 0.745 531 L CB -0.186 41.454 42.059 -0.698 0.000 0.892 531 L HN 0.236 nan 8.230 nan 0.000 0.431 532 L N -0.206 120.869 121.223 -0.246 0.000 2.141 532 L HA -0.233 4.106 4.340 -0.001 0.000 0.209 532 L C 2.359 179.161 176.870 -0.113 0.000 1.094 532 L CA 1.670 56.417 54.840 -0.156 0.000 0.763 532 L CB -0.847 41.140 42.059 -0.121 0.000 0.908 532 L HN 0.512 nan 8.230 nan 0.000 0.437 533 N N 0.153 118.781 118.700 -0.120 0.000 2.106 533 N HA -0.168 4.572 4.740 -0.001 0.000 0.188 533 N C 1.945 177.408 175.510 -0.078 0.000 1.029 533 N CA 1.104 54.102 53.050 -0.087 0.000 0.848 533 N CB 0.109 38.544 38.487 -0.086 0.000 1.007 533 N HN 0.292 nan 8.380 nan 0.000 0.423 534 A N 0.496 123.258 122.820 -0.096 0.000 1.872 534 A HA -0.029 4.291 4.320 -0.001 0.000 0.214 534 A C 1.535 179.079 177.584 -0.066 0.000 1.187 534 A CA 1.602 53.594 52.037 -0.075 0.000 0.614 534 A CB -1.053 17.898 19.000 -0.083 0.000 0.826 534 A HN 0.588 nan 8.150 nan 0.000 0.442 535 T N 0.000 114.506 114.554 -0.080 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.061 62.100 -0.065 0.000 1.349 535 T CB 0.000 68.824 68.868 -0.073 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658