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 2wyn_1_C DATA FIRST_RESID 38 DATA SEQUENCE QPPDILLGPL FNDVQNAKLF PDQKTFADAV PNSDPLMILA DYRMQQNQSG DATA SEQUENCE FDLRHFVNVN FTLPKEGEKY VPPEGQSLRE HIDGLWPVLT RSTENTEKWD DATA SEQUENCE SLLPLPEPYV VPGGRFREVY YWDSYFTMLG LAESGHWDKV ADMVANFAHE DATA SEQUENCE IDTYGHIPNG NRSYYLSRSQ PPFFALMVEL LAQHEGDAAL KQYLPQMQKE DATA SEQUENCE YAYWMDGVEN LQAGQQEKRV VKLQDGTLLN RYWDDRDTPR PESWVEDIAT DATA SEQUENCE AKSNPNRPAT EIYRDLRSAA ASGWDFSSRW MDNPQQLNTL RTTSIVPVDL DATA SEQUENCE NSLMFKMEKI LARASKAAGD NAMANQYETL ANARQKGIEK YLWNDQQGWY DATA SEQUENCE ADYDLKSHKV RNQLTAAALF PLYVNAAAKD RANKMATATK THLLQPGGLN DATA SEQUENCE TTSVKSGQQW DAPNGWAPLQ WVATEGLQNY GQKEVAMDIS WHFLTNVQHT DATA SEQUENCE YDREKKLVEK YDVSTTXXXX XXXXYPLQDG FGWTNGVTLK MLDLIcPKEQ DATA SEQUENCE PcDNVPATR 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 38 Q HA 0.000 nan 4.340 nan 0.000 0.214 38 Q C 0.000 175.976 176.000 -0.040 0.000 1.003 38 Q CA 0.000 55.797 55.803 -0.011 0.000 1.022 38 Q CB 0.000 28.749 28.738 0.018 0.000 1.108 39 P HA 0.193 nan 4.420 nan 0.000 0.272 39 P C -2.394 174.786 177.300 -0.199 0.000 1.240 39 P CA -1.276 61.771 63.100 -0.089 0.000 0.791 39 P CB 0.242 31.908 31.700 -0.056 0.000 0.978 40 P HA -0.113 nan 4.420 nan 0.000 0.222 40 P C 1.014 177.825 177.300 -0.816 0.000 1.153 40 P CA 1.150 63.936 63.100 -0.522 0.000 0.798 40 P CB -0.191 31.145 31.700 -0.606 0.000 0.796 41 D N -0.232 119.497 120.400 -1.119 0.000 2.178 41 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 41 D C 1.626 177.764 176.300 -0.270 0.000 0.980 41 D CA 1.183 54.704 54.000 -0.799 0.000 0.842 41 D CB -0.688 39.750 40.800 -0.603 0.000 0.948 41 D HN 0.082 nan 8.370 nan 0.000 0.472 42 I N 0.335 120.790 120.570 -0.192 0.000 2.333 42 I HA -0.111 4.059 4.170 -0.000 0.000 0.246 42 I C 2.541 178.623 176.117 -0.058 0.000 1.106 42 I CA 0.277 61.534 61.300 -0.073 0.000 1.411 42 I CB -1.064 36.911 38.000 -0.041 0.000 1.082 42 I HN 0.040 nan 8.210 nan 0.000 0.420 43 L N 0.404 121.577 121.223 -0.085 0.000 2.083 43 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 43 L C 2.129 178.979 176.870 -0.035 0.000 1.083 43 L CA 1.872 56.683 54.840 -0.048 0.000 0.752 43 L CB -0.461 41.572 42.059 -0.044 0.000 0.899 43 L HN 0.153 nan 8.230 nan 0.000 0.433 44 L N -2.162 119.047 121.223 -0.025 0.000 2.664 44 L HA 0.355 4.695 4.340 -0.000 0.000 0.233 44 L C 1.426 178.337 176.870 0.068 0.000 1.113 44 L CA 0.210 55.086 54.840 0.059 0.000 0.896 44 L CB -0.355 41.804 42.059 0.166 0.000 1.163 44 L HN 0.386 nan 8.230 nan 0.000 0.497 45 G N 1.550 110.372 108.800 0.036 0.000 2.582 45 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.288 45 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.288 45 G C -1.817 173.135 174.900 0.087 0.000 1.247 45 G CA 0.191 45.328 45.100 0.061 0.000 0.972 45 G HN 0.174 nan 8.290 nan 0.000 0.557 46 P HA 0.088 nan 4.420 nan 0.000 0.230 46 P C 2.046 179.388 177.300 0.070 0.000 1.158 46 P CA 0.939 64.108 63.100 0.116 0.000 0.769 46 P CB -0.025 31.760 31.700 0.141 0.000 0.807 47 L N -1.201 120.029 121.223 0.013 0.000 2.083 47 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 47 L C 2.144 178.939 176.870 -0.126 0.000 1.083 47 L CA 1.725 56.410 54.840 -0.258 0.000 0.752 47 L CB -1.391 40.477 42.059 -0.319 0.000 0.899 47 L HN -0.144 nan 8.230 nan 0.000 0.433 48 F N 0.743 120.620 119.950 -0.122 0.000 2.069 48 F HA -0.281 4.246 4.527 -0.000 0.000 0.298 48 F C 2.445 178.010 175.800 -0.391 0.000 1.113 48 F CA 2.137 60.038 58.000 -0.165 0.000 1.214 48 F CB -0.561 38.267 39.000 -0.287 0.000 0.978 48 F HN 0.385 nan 8.300 nan 0.000 0.474 49 N N 0.293 118.818 118.700 -0.290 0.000 2.069 49 N HA -0.218 4.522 4.740 -0.000 0.000 0.191 49 N C 1.484 176.909 175.510 -0.142 0.000 1.031 49 N CA 2.089 55.005 53.050 -0.222 0.000 0.852 49 N CB -0.443 38.151 38.487 0.179 0.000 1.018 49 N HN 0.234 nan 8.380 nan 0.000 0.423 50 D N -0.672 119.660 120.400 -0.114 0.000 2.117 50 D HA -0.089 4.551 4.640 -0.000 0.000 0.197 50 D C 2.000 178.177 176.300 -0.206 0.000 0.987 50 D CA 0.809 54.762 54.000 -0.078 0.000 0.829 50 D CB -0.392 40.410 40.800 0.004 0.000 0.961 50 D HN 0.127 nan 8.370 nan 0.000 0.460 51 V N 1.051 120.724 119.914 -0.401 0.000 2.453 51 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 51 V C 2.444 178.247 176.094 -0.486 0.000 1.048 51 V CA 1.252 63.207 62.300 -0.574 0.000 1.049 51 V CB -0.287 30.850 31.823 -1.143 0.000 0.672 51 V HN 0.158 nan 8.190 nan 0.000 0.457 52 Q N 0.025 119.522 119.800 -0.506 0.000 2.079 52 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 52 Q C 2.158 178.103 176.000 -0.091 0.000 0.974 52 Q CA 1.290 56.902 55.803 -0.319 0.000 0.840 52 Q CB -0.551 27.904 28.738 -0.471 0.000 0.898 52 Q HN 0.598 nan 8.270 nan 0.000 0.430 53 N N 0.851 119.527 118.700 -0.040 0.000 2.244 53 N HA -0.071 4.669 4.740 -0.000 0.000 0.183 53 N C 1.519 177.015 175.510 -0.022 0.000 1.016 53 N CA 1.194 54.269 53.050 0.040 0.000 0.866 53 N CB -0.229 38.308 38.487 0.084 0.000 0.980 53 N HN 0.224 nan 8.380 nan 0.000 0.430 54 A N 0.866 123.634 122.820 -0.086 0.000 2.172 54 A HA -0.051 4.268 4.320 -0.000 0.000 0.216 54 A C 0.672 178.176 177.584 -0.133 0.000 1.154 54 A CA 0.478 52.451 52.037 -0.107 0.000 0.701 54 A CB -0.385 18.529 19.000 -0.145 0.000 0.789 54 A HN 0.330 nan 8.150 nan 0.000 0.465 55 K N -1.216 119.105 120.400 -0.131 0.000 3.156 55 K HA -0.198 4.122 4.320 -0.000 0.000 0.266 55 K C 0.481 176.944 176.600 -0.229 0.000 0.966 55 K CA 0.591 56.807 56.287 -0.118 0.000 0.719 55 K CB -1.936 30.532 32.500 -0.052 0.000 1.333 55 K HN 0.578 nan 8.250 nan 0.000 0.468 56 L N -0.738 120.231 121.223 -0.422 0.000 2.187 56 L HA -0.109 4.231 4.340 -0.000 0.000 0.213 56 L C 0.832 177.147 176.870 -0.925 0.000 1.100 56 L CA 1.240 55.642 54.840 -0.731 0.000 0.765 56 L CB -0.259 41.168 42.059 -1.053 0.000 0.904 56 L HN 0.146 nan 8.230 nan 0.000 0.437 57 F N -1.267 118.637 119.950 -0.076 0.000 2.522 57 F HA 0.361 4.888 4.527 -0.000 0.000 0.324 57 F C -1.359 174.434 175.800 -0.011 0.000 1.077 57 F CA -2.357 55.624 58.000 -0.032 0.000 0.944 57 F CB 0.153 39.142 39.000 -0.018 0.000 1.175 57 F HN -0.307 nan 8.300 nan 0.000 0.468 58 P HA -0.070 nan 4.420 nan 0.000 0.229 58 P C -0.287 177.090 177.300 0.128 0.000 1.160 58 P CA 0.994 64.160 63.100 0.111 0.000 0.777 58 P CB 0.425 32.180 31.700 0.091 0.000 0.814 59 D N -0.130 120.361 120.400 0.151 0.000 2.308 59 D HA 0.079 4.719 4.640 -0.000 0.000 0.242 59 D C 1.161 177.542 176.300 0.135 0.000 1.059 59 D CA -0.421 53.656 54.000 0.129 0.000 0.830 59 D CB 1.384 42.235 40.800 0.084 0.000 1.161 59 D HN -0.221 nan 8.370 nan 0.000 0.494 60 Q N 2.639 122.519 119.800 0.135 0.000 2.226 60 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 60 Q C 1.383 177.434 176.000 0.085 0.000 0.975 60 Q CA 0.922 56.801 55.803 0.126 0.000 0.866 60 Q CB 0.076 28.911 28.738 0.162 0.000 0.915 60 Q HN 0.544 nan 8.270 nan 0.000 0.440 61 K N 0.282 120.716 120.400 0.057 0.000 2.283 61 K HA -0.090 4.230 4.320 -0.000 0.000 0.202 61 K C 1.830 178.419 176.600 -0.018 0.000 1.048 61 K CA 1.184 57.469 56.287 -0.005 0.000 0.948 61 K CB 0.184 32.689 32.500 0.008 0.000 0.742 61 K HN 0.069 nan 8.250 nan 0.000 0.458 62 T N 0.469 115.013 114.554 -0.017 0.000 2.684 62 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 62 T C 1.265 175.871 174.700 -0.157 0.000 1.036 62 T CA 1.375 63.401 62.100 -0.123 0.000 1.148 62 T CB -0.311 68.431 68.868 -0.211 0.000 0.863 62 T HN 0.255 nan 8.240 nan 0.000 0.436 63 F N 1.691 121.501 119.950 -0.234 0.000 2.456 63 F HA 0.299 4.826 4.527 -0.000 0.000 0.298 63 F C 2.296 178.075 175.800 -0.035 0.000 1.104 63 F CA 0.161 58.023 58.000 -0.230 0.000 1.435 63 F CB -0.477 38.402 39.000 -0.203 0.000 1.078 63 F HN 0.121 nan 8.300 nan 0.000 0.546 64 A N -0.613 122.207 122.820 0.000 0.000 2.067 64 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 64 A C 1.471 179.056 177.584 0.000 0.000 1.158 64 A CA 1.757 53.787 52.037 -0.012 0.000 0.661 64 A CB -0.580 18.245 19.000 -0.292 0.000 0.801 64 A HN 0.331 nan 8.150 nan 0.000 0.452 65 D N -0.226 120.155 120.400 -0.031 0.000 2.340 65 D HA 0.356 4.996 4.640 -0.000 0.000 0.217 65 D C 0.624 176.881 176.300 -0.073 0.000 1.081 65 D CA 0.555 54.559 54.000 0.006 0.000 0.842 65 D CB 0.050 40.867 40.800 0.029 0.000 0.934 65 D HN 0.412 nan 8.370 nan 0.000 0.511 66 A N 0.428 123.127 122.820 -0.201 0.000 2.407 66 A HA 0.372 4.692 4.320 -0.000 0.000 0.248 66 A C 0.186 177.779 177.584 0.014 0.000 1.082 66 A CA -0.213 51.732 52.037 -0.154 0.000 0.785 66 A CB 0.677 19.421 19.000 -0.426 0.000 1.020 66 A HN 0.002 nan 8.150 nan 0.000 0.489 67 V N 4.615 124.602 119.914 0.122 0.000 2.328 67 V HA 0.290 4.410 4.120 -0.000 0.000 0.278 67 V C -2.322 173.846 176.094 0.123 0.000 1.021 67 V CA -1.649 60.723 62.300 0.120 0.000 0.838 67 V CB 1.178 33.041 31.823 0.068 0.000 0.999 67 V HN 0.757 nan 8.190 nan 0.000 0.447 68 P HA 0.112 nan 4.420 nan 0.000 0.265 68 P C 0.332 177.507 177.300 -0.209 0.000 1.193 68 P CA 0.170 63.035 63.100 -0.392 0.000 0.765 68 P CB 0.543 32.061 31.700 -0.303 0.000 0.823 69 N N 0.062 118.564 118.700 -0.329 0.000 2.494 69 N HA -0.019 4.721 4.740 -0.000 0.000 0.182 69 N C 0.538 175.999 175.510 -0.081 0.000 1.076 69 N CA 0.607 53.569 53.050 -0.148 0.000 0.908 69 N CB -0.034 38.348 38.487 -0.174 0.000 0.967 69 N HN 0.533 nan 8.380 nan 0.000 0.449 70 S N -1.648 113.940 115.700 -0.186 0.000 2.727 70 S HA 0.179 4.648 4.470 -0.000 0.000 0.278 70 S C -1.247 172.964 174.600 -0.648 0.000 1.186 70 S CA -1.008 57.088 58.200 -0.173 0.000 0.836 70 S CB 1.598 64.699 63.200 -0.165 0.000 1.186 70 S HN -0.085 nan 8.310 nan 0.000 0.499 71 D N 1.720 121.619 120.400 -0.835 0.000 2.520 71 D HA 0.224 4.864 4.640 -0.000 0.000 0.243 71 D C -1.511 174.280 176.300 -0.848 0.000 1.160 71 D CA -1.325 51.857 54.000 -1.363 0.000 0.877 71 D CB 1.005 41.465 40.800 -0.566 0.000 1.150 71 D HN 0.170 nan 8.370 nan 0.000 0.494 72 P HA -0.127 nan 4.420 nan 0.000 0.218 72 P C 1.661 178.817 177.300 -0.240 0.000 1.148 72 P CA 0.597 63.423 63.100 -0.456 0.000 0.822 72 P CB 0.134 31.600 31.700 -0.390 0.000 0.784 73 L N -2.062 119.014 121.223 -0.245 0.000 2.093 73 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 73 L C 2.002 178.829 176.870 -0.070 0.000 1.085 73 L CA 1.627 56.403 54.840 -0.107 0.000 0.755 73 L CB -0.437 41.576 42.059 -0.076 0.000 0.904 73 L HN -0.099 nan 8.230 nan 0.000 0.435 74 M N -0.439 119.091 119.600 -0.116 0.000 2.236 74 M HA -0.099 4.381 4.480 -0.000 0.000 0.266 74 M C 2.319 178.612 176.300 -0.012 0.000 1.070 74 M CA 1.469 56.733 55.300 -0.061 0.000 1.137 74 M CB -0.829 31.722 32.600 -0.082 0.000 1.378 74 M HN 0.291 nan 8.290 nan 0.000 0.426 75 I N 0.113 120.650 120.570 -0.056 0.000 2.208 75 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 75 I C 2.513 178.783 176.117 0.256 0.000 1.097 75 I CA 1.175 62.516 61.300 0.068 0.000 1.363 75 I CB -0.436 37.528 38.000 -0.062 0.000 1.051 75 I HN 0.246 nan 8.210 nan 0.000 0.413 76 L N 0.640 121.957 121.223 0.156 0.000 2.017 76 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 76 L C 2.793 179.769 176.870 0.177 0.000 1.073 76 L CA 1.813 56.767 54.840 0.190 0.000 0.745 76 L CB -0.402 41.722 42.059 0.108 0.000 0.894 76 L HN 0.262 nan 8.230 nan 0.000 0.432 77 A N -0.564 122.319 122.820 0.105 0.000 1.933 77 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 77 A C 1.933 179.564 177.584 0.079 0.000 1.175 77 A CA 1.988 54.064 52.037 0.066 0.000 0.628 77 A CB -0.656 18.366 19.000 0.037 0.000 0.814 77 A HN 0.539 nan 8.150 nan 0.000 0.444 78 D N -1.734 118.756 120.400 0.150 0.000 2.117 78 D HA -0.191 4.449 4.640 -0.000 0.000 0.198 78 D C 1.722 178.125 176.300 0.172 0.000 0.982 78 D CA 1.444 55.567 54.000 0.205 0.000 0.828 78 D CB -0.384 40.599 40.800 0.306 0.000 0.967 78 D HN 0.460 nan 8.370 nan 0.000 0.464 79 Y N 1.722 122.028 120.300 0.010 0.000 2.081 79 Y HA -0.204 4.346 4.550 -0.000 0.000 0.280 79 Y C 2.344 178.005 175.900 -0.400 0.000 1.163 79 Y CA 2.091 59.905 58.100 -0.476 0.000 1.135 79 Y CB -0.324 37.926 38.460 -0.349 0.000 0.970 79 Y HN -0.083 nan 8.280 nan 0.000 0.498 80 R N -0.781 119.559 120.500 -0.267 0.000 2.091 80 R HA -0.220 4.120 4.340 -0.000 0.000 0.238 80 R C 2.454 178.558 176.300 -0.327 0.000 1.136 80 R CA 1.668 57.559 56.100 -0.348 0.000 0.959 80 R CB -0.483 29.733 30.300 -0.141 0.000 0.856 80 R HN 0.410 nan 8.270 nan 0.000 0.437 81 M N 1.150 120.628 119.600 -0.203 0.000 2.067 81 M HA -0.195 4.285 4.480 -0.000 0.000 0.260 81 M C 1.868 178.044 176.300 -0.205 0.000 1.069 81 M CA 1.895 57.107 55.300 -0.147 0.000 1.117 81 M CB -0.324 32.245 32.600 -0.052 0.000 1.334 81 M HN 0.162 nan 8.290 nan 0.000 0.407 82 Q N -0.194 119.463 119.800 -0.237 0.000 2.172 82 Q HA -0.204 4.136 4.340 -0.000 0.000 0.200 82 Q C 1.874 177.526 176.000 -0.580 0.000 0.964 82 Q CA 1.602 57.274 55.803 -0.217 0.000 0.855 82 Q CB -0.270 28.489 28.738 0.036 0.000 0.918 82 Q HN 0.725 nan 8.270 nan 0.000 0.444 83 Q N 0.375 119.529 119.800 -1.076 0.000 2.437 83 Q HA -0.117 4.223 4.340 -0.000 0.000 0.210 83 Q C 0.712 176.318 176.000 -0.656 0.000 0.972 83 Q CA 1.301 56.225 55.803 -1.466 0.000 0.903 83 Q CB -0.139 27.620 28.738 -1.632 0.000 0.967 83 Q HN 0.415 nan 8.270 nan 0.000 0.486 84 N N 0.050 118.500 118.700 -0.418 0.000 2.424 84 N HA -0.008 4.732 4.740 -0.000 0.000 0.178 84 N C -0.176 175.264 175.510 -0.116 0.000 1.060 84 N CA -0.151 52.767 53.050 -0.220 0.000 0.901 84 N CB 0.295 38.677 38.487 -0.175 0.000 0.979 84 N HN 0.300 nan 8.380 nan 0.000 0.451 85 Q N 1.293 121.038 119.800 -0.092 0.000 2.352 85 Q HA 0.093 4.433 4.340 -0.000 0.000 0.260 85 Q C 0.142 176.174 176.000 0.054 0.000 0.976 85 Q CA -0.276 55.529 55.803 0.003 0.000 0.881 85 Q CB 0.964 29.730 28.738 0.045 0.000 1.235 85 Q HN 0.199 nan 8.270 nan 0.000 0.419 86 S N 1.172 116.896 115.700 0.040 0.000 2.558 86 S HA 0.225 4.695 4.470 -0.000 0.000 0.288 86 S C 1.063 175.706 174.600 0.072 0.000 1.318 86 S CA 0.133 58.359 58.200 0.045 0.000 1.056 86 S CB 0.528 63.744 63.200 0.026 0.000 0.853 86 S HN 1.027 nan 8.310 nan 0.000 0.505 87 G N 2.277 111.119 108.800 0.069 0.000 2.155 87 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 87 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 87 G C -0.073 174.882 174.900 0.092 0.000 0.983 87 G CA 0.177 45.312 45.100 0.058 0.000 0.676 87 G HN 1.199 nan 8.290 nan 0.000 0.528 88 F N 1.365 121.318 119.950 0.004 0.000 2.607 88 F HA 0.431 4.958 4.527 -0.000 0.000 0.374 88 F C 0.423 176.249 175.800 0.043 0.000 1.104 88 F CA 0.469 58.482 58.000 0.022 0.000 1.296 88 F CB 0.642 39.623 39.000 -0.031 0.000 1.085 88 F HN 0.136 nan 8.300 nan 0.000 0.584 89 D N 5.875 125.737 120.400 -0.897 0.000 2.549 89 D HA 0.174 4.814 4.640 -0.000 0.000 0.251 89 D C 0.472 176.214 176.300 -0.930 0.000 1.153 89 D CA -0.612 52.977 54.000 -0.686 0.000 0.861 89 D CB 1.327 41.975 40.800 -0.252 0.000 1.207 89 D HN 0.528 nan 8.370 nan 0.000 0.543 90 L N 4.692 125.525 121.223 -0.651 0.000 2.012 90 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 90 L C 2.164 178.995 176.870 -0.065 0.000 1.073 90 L CA 1.877 56.600 54.840 -0.195 0.000 0.748 90 L CB -0.481 41.597 42.059 0.031 0.000 0.891 90 L HN 0.570 nan 8.230 nan 0.000 0.431 91 R N -1.882 118.552 120.500 -0.110 0.000 2.081 91 R HA -0.261 4.079 4.340 -0.000 0.000 0.235 91 R C 2.471 178.785 176.300 0.022 0.000 1.131 91 R CA 1.754 57.809 56.100 -0.075 0.000 0.960 91 R CB -0.439 29.798 30.300 -0.105 0.000 0.856 91 R HN 0.612 nan 8.270 nan 0.000 0.436 92 H N -0.405 118.627 119.070 -0.063 0.000 2.321 92 H HA -0.174 4.382 4.556 -0.000 0.000 0.300 92 H C 1.674 177.040 175.328 0.064 0.000 1.087 92 H CA 2.153 58.192 56.048 -0.014 0.000 1.319 92 H CB -0.521 29.212 29.762 -0.049 0.000 1.379 92 H HN 0.265 nan 8.280 nan 0.000 0.501 93 F N 0.231 120.081 119.950 -0.168 0.000 2.126 93 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 93 F C 2.283 178.115 175.800 0.054 0.000 1.096 93 F CA 1.643 59.618 58.000 -0.041 0.000 1.255 93 F CB -0.614 38.520 39.000 0.224 0.000 0.997 93 F HN 0.085 nan 8.300 nan 0.000 0.479 94 V N 0.740 120.751 119.914 0.162 0.000 2.295 94 V HA -0.328 3.791 4.120 -0.000 0.000 0.246 94 V C 2.184 178.394 176.094 0.192 0.000 1.049 94 V CA 2.141 64.570 62.300 0.216 0.000 1.024 94 V CB -0.856 31.027 31.823 0.101 0.000 0.648 94 V HN 0.355 nan 8.190 nan 0.000 0.447 95 N N 0.098 118.840 118.700 0.070 0.000 2.205 95 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 95 N C 1.595 177.085 175.510 -0.033 0.000 1.015 95 N CA 1.217 54.299 53.050 0.054 0.000 0.862 95 N CB -0.348 38.167 38.487 0.047 0.000 0.986 95 N HN 0.364 nan 8.380 nan 0.000 0.429 96 V N 1.007 120.805 119.914 -0.194 0.000 2.951 96 V HA 0.032 4.152 4.120 -0.000 0.000 0.255 96 V C 1.262 177.216 176.094 -0.233 0.000 1.088 96 V CA 0.961 63.119 62.300 -0.238 0.000 1.109 96 V CB -0.141 31.447 31.823 -0.392 0.000 0.724 96 V HN 0.328 nan 8.190 nan 0.000 0.471 97 N N -1.214 117.335 118.700 -0.252 0.000 2.184 97 N HA 0.226 4.965 4.740 -0.000 0.000 0.206 97 N C -0.552 174.601 175.510 -0.595 0.000 1.151 97 N CA 0.226 53.012 53.050 -0.439 0.000 0.878 97 N CB 1.152 39.244 38.487 -0.659 0.000 1.014 97 N HN 0.354 nan 8.380 nan 0.000 0.512 98 F N 0.302 120.211 119.950 -0.067 0.000 2.591 98 F HA 0.239 4.766 4.527 -0.000 0.000 0.309 98 F C 0.134 175.931 175.800 -0.005 0.000 1.098 98 F CA -1.072 56.923 58.000 -0.008 0.000 0.937 98 F CB 1.643 40.695 39.000 0.087 0.000 1.250 98 F HN -0.274 nan 8.300 nan 0.000 0.447 99 T N 1.371 116.019 114.554 0.158 0.000 2.799 99 T HA 0.777 5.126 4.350 -0.000 0.000 0.286 99 T C -0.535 174.215 174.700 0.084 0.000 0.973 99 T CA -0.671 61.487 62.100 0.097 0.000 1.035 99 T CB 0.715 69.612 68.868 0.048 0.000 0.932 99 T HN 0.437 nan 8.240 nan 0.000 0.469 100 L N 3.313 124.558 121.223 0.038 0.000 2.375 100 L HA 0.550 4.889 4.340 -0.000 0.000 0.268 100 L C -2.022 174.817 176.870 -0.052 0.000 1.058 100 L CA -2.589 52.220 54.840 -0.052 0.000 0.803 100 L CB 0.366 42.356 42.059 -0.114 0.000 1.212 100 L HN 0.452 nan 8.230 nan 0.000 0.451 101 P HA 0.059 nan 4.420 nan 0.000 0.269 101 P C -0.662 176.618 177.300 -0.033 0.000 1.209 101 P CA -0.558 62.514 63.100 -0.047 0.000 0.776 101 P CB 0.446 32.112 31.700 -0.056 0.000 0.876 102 K N 1.239 121.632 120.400 -0.011 0.000 2.489 102 K HA 0.252 4.572 4.320 -0.000 0.000 0.278 102 K C 1.507 178.108 176.600 0.001 0.000 1.000 102 K CA 0.841 57.128 56.287 0.000 0.000 1.012 102 K CB 0.120 32.624 32.500 0.006 0.000 0.903 102 K HN 0.717 nan 8.250 nan 0.000 0.485 103 E N 1.055 121.261 120.200 0.011 0.000 2.134 103 E HA 0.170 4.520 4.350 -0.000 0.000 0.194 103 E C 1.427 178.042 176.600 0.025 0.000 0.937 103 E CA 0.568 56.978 56.400 0.018 0.000 0.874 103 E CB -0.056 nan 29.700 nan 0.000 0.853 103 E HN 0.741 nan 8.360 nan 0.000 0.471 104 G N 1.835 110.651 108.800 0.026 0.000 4.828 104 G HA2 0.378 4.337 3.960 -0.000 0.000 0.294 104 G HA3 0.378 4.337 3.960 -0.000 0.000 0.294 104 G C 0.010 174.926 174.900 0.027 0.000 1.288 104 G CA 0.204 45.321 45.100 0.028 0.000 0.987 104 G HN 0.390 nan 8.290 nan 0.000 0.587 105 E N 0.191 120.409 120.200 0.030 0.000 2.248 105 E HA 0.641 4.991 4.350 -0.000 0.000 0.272 105 E C -1.070 175.560 176.600 0.050 0.000 1.008 105 E CA -0.683 55.738 56.400 0.035 0.000 0.856 105 E CB 1.840 31.562 29.700 0.036 0.000 1.120 105 E HN 0.059 nan 8.360 nan 0.000 0.397 106 K N 1.922 122.354 120.400 0.054 0.000 2.565 106 K HA 0.177 4.497 4.320 -0.000 0.000 0.249 106 K C -1.496 175.159 176.600 0.092 0.000 0.958 106 K CA -0.798 55.533 56.287 0.072 0.000 0.806 106 K CB 1.489 34.013 32.500 0.040 0.000 1.194 106 K HN 0.441 nan 8.250 nan 0.000 0.434 107 Y N 2.292 122.603 120.300 0.018 0.000 2.526 107 Y HA 0.161 4.711 4.550 -0.000 0.000 0.330 107 Y C -0.446 175.468 175.900 0.023 0.000 1.156 107 Y CA 0.032 58.144 58.100 0.019 0.000 1.419 107 Y CB 0.733 39.208 38.460 0.025 0.000 1.250 107 Y HN 0.294 nan 8.280 nan 0.000 0.540 108 V N 9.311 128.838 119.914 -0.644 0.000 2.349 108 V HA 0.308 4.428 4.120 -0.000 0.000 0.284 108 V C -2.019 173.708 176.094 -0.611 0.000 1.014 108 V CA -1.662 60.375 62.300 -0.440 0.000 0.826 108 V CB 0.893 32.565 31.823 -0.251 0.000 1.009 108 V HN 0.732 nan 8.190 nan 0.000 0.431 109 P HA 0.436 nan 4.420 nan 0.000 0.276 109 P C -2.687 174.575 177.300 -0.065 0.000 1.244 109 P CA -1.445 61.600 63.100 -0.091 0.000 0.801 109 P CB 0.230 32.092 31.700 0.269 0.000 1.006 110 P HA 0.165 nan 4.420 nan 0.000 0.272 110 P C 0.687 177.986 177.300 -0.002 0.000 1.240 110 P CA -0.050 63.045 63.100 -0.008 0.000 0.791 110 P CB 0.591 32.302 31.700 0.019 0.000 0.978 111 E N 0.252 120.438 120.200 -0.024 0.000 2.158 111 E HA -0.015 4.334 4.350 -0.000 0.000 0.191 111 E C 1.623 178.205 176.600 -0.030 0.000 0.982 111 E CA 0.991 57.362 56.400 -0.048 0.000 0.823 111 E CB -0.295 29.373 29.700 -0.053 0.000 0.766 111 E HN 0.625 nan 8.360 nan 0.000 0.468 112 G N 0.742 109.546 108.800 0.007 0.000 3.337 112 G HA2 0.010 3.970 3.960 -0.000 0.000 0.246 112 G HA3 0.010 3.970 3.960 -0.000 0.000 0.246 112 G C 0.217 175.156 174.900 0.066 0.000 1.131 112 G CA -0.319 44.795 45.100 0.024 0.000 0.773 112 G HN 0.033 nan 8.290 nan 0.000 0.544 113 Q N 1.168 121.036 119.800 0.113 0.000 2.340 113 Q HA 0.360 4.700 4.340 -0.000 0.000 0.249 113 Q C 0.652 176.774 176.000 0.204 0.000 0.957 113 Q CA -0.297 55.599 55.803 0.155 0.000 0.882 113 Q CB 1.254 30.119 28.738 0.212 0.000 1.235 113 Q HN 0.385 nan 8.270 nan 0.000 0.439 114 S N 1.193 116.964 115.700 0.118 0.000 2.608 114 S HA 0.025 4.495 4.470 -0.000 0.000 0.261 114 S C 0.951 175.507 174.600 -0.073 0.000 1.314 114 S CA -0.673 57.569 58.200 0.070 0.000 0.992 114 S CB 0.580 63.790 63.200 0.016 0.000 0.935 114 S HN 0.670 nan 8.310 nan 0.000 0.564 115 L N 1.037 122.082 121.223 -0.296 0.000 2.013 115 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 115 L C 2.811 179.487 176.870 -0.324 0.000 1.073 115 L CA 2.123 56.567 54.840 -0.660 0.000 0.753 115 L CB -0.847 40.908 42.059 -0.506 0.000 0.890 115 L HN 0.925 nan 8.230 nan 0.000 0.432 116 R N -0.405 119.990 120.500 -0.175 0.000 2.066 116 R HA -0.185 4.154 4.340 -0.000 0.000 0.232 116 R C 2.235 178.487 176.300 -0.081 0.000 1.131 116 R CA 1.731 57.765 56.100 -0.110 0.000 0.955 116 R CB -0.325 29.937 30.300 -0.064 0.000 0.851 116 R HN 0.756 nan 8.270 nan 0.000 0.432 117 E N -1.177 118.997 120.200 -0.043 0.000 2.152 117 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 117 E C 1.773 178.356 176.600 -0.028 0.000 0.983 117 E CA 1.393 57.783 56.400 -0.017 0.000 0.818 117 E CB -0.498 29.212 29.700 0.017 0.000 0.758 117 E HN 0.547 nan 8.360 nan 0.000 0.467 118 H N 1.503 120.506 119.070 -0.111 0.000 2.293 118 H HA -0.069 4.486 4.556 -0.000 0.000 0.300 118 H C 2.049 177.251 175.328 -0.211 0.000 1.082 118 H CA 2.283 58.276 56.048 -0.091 0.000 1.308 118 H CB -0.178 29.542 29.762 -0.070 0.000 1.375 118 H HN 0.125 nan 8.280 nan 0.000 0.495 119 I N 0.526 120.944 120.570 -0.252 0.000 2.127 119 I HA -0.291 3.879 4.170 -0.000 0.000 0.241 119 I C 1.852 177.538 176.117 -0.718 0.000 1.075 119 I CA 1.727 62.737 61.300 -0.484 0.000 1.334 119 I CB -0.264 37.539 38.000 -0.328 0.000 1.040 119 I HN 0.367 nan 8.210 nan 0.000 0.405 120 D N 0.642 120.810 120.400 -0.386 0.000 2.178 120 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 120 D C 2.119 178.268 176.300 -0.252 0.000 0.980 120 D CA 1.444 55.304 54.000 -0.234 0.000 0.842 120 D CB -0.420 40.399 40.800 0.032 0.000 0.948 120 D HN 0.432 nan 8.370 nan 0.000 0.472 121 G N -0.062 108.580 108.800 -0.263 0.000 2.623 121 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.214 121 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.214 121 G C 1.551 176.283 174.900 -0.281 0.000 1.138 121 G CA -0.207 44.785 45.100 -0.181 0.000 0.794 121 G HN 0.240 nan 8.290 nan 0.000 0.535 122 L N -0.760 120.149 121.223 -0.524 0.000 2.376 122 L HA 0.063 4.403 4.340 -0.000 0.000 0.219 122 L C 2.385 179.022 176.870 -0.388 0.000 1.133 122 L CA 0.246 54.753 54.840 -0.555 0.000 0.816 122 L CB -0.197 41.426 42.059 -0.726 0.000 0.933 122 L HN 0.417 nan 8.230 nan 0.000 0.449 123 W N 0.767 121.918 121.300 -0.249 0.000 2.338 123 W HA -0.165 4.495 4.660 -0.000 0.000 0.304 123 W C -0.376 175.999 176.519 -0.240 0.000 1.212 123 W CA 0.265 57.447 57.345 -0.271 0.000 1.264 123 W CB -1.679 27.546 29.460 -0.393 0.000 1.142 123 W HN 0.144 nan 8.180 nan 0.000 0.512 124 P HA -0.126 nan 4.420 nan 0.000 0.221 124 P C 1.514 178.772 177.300 -0.070 0.000 1.150 124 P CA 1.306 64.383 63.100 -0.039 0.000 0.800 124 P CB -0.135 31.547 31.700 -0.031 0.000 0.787 125 V N -0.537 119.308 119.914 -0.115 0.000 2.453 125 V HA -0.141 3.979 4.120 -0.000 0.000 0.247 125 V C 2.116 178.127 176.094 -0.137 0.000 1.048 125 V CA 1.458 63.669 62.300 -0.148 0.000 1.049 125 V CB -1.008 30.637 31.823 -0.296 0.000 0.672 125 V HN 0.081 nan 8.190 nan 0.000 0.457 126 L N -0.389 120.760 121.223 -0.124 0.000 2.599 126 L HA 0.084 4.424 4.340 -0.000 0.000 0.230 126 L C 0.688 177.515 176.870 -0.071 0.000 1.141 126 L CA 0.215 55.005 54.840 -0.082 0.000 0.877 126 L CB -0.450 41.581 42.059 -0.046 0.000 1.009 126 L HN 0.236 nan 8.230 nan 0.000 0.447 127 T N 1.317 115.813 114.554 -0.095 0.000 2.806 127 T HA 0.403 4.753 4.350 -0.000 0.000 0.290 127 T C 0.245 174.795 174.700 -0.250 0.000 0.966 127 T CA -0.336 61.668 62.100 -0.159 0.000 1.060 127 T CB 1.195 69.988 68.868 -0.126 0.000 0.927 127 T HN 0.153 nan 8.240 nan 0.000 0.485 128 R N 1.390 121.603 120.500 -0.478 0.000 2.832 128 R HA 0.696 5.036 4.340 -0.000 0.000 0.271 128 R C -0.610 175.321 176.300 -0.616 0.000 0.996 128 R CA -0.807 54.955 56.100 -0.563 0.000 0.977 128 R CB 1.891 31.759 30.300 -0.719 0.000 1.168 128 R HN 0.517 nan 8.270 nan 0.000 0.482 129 S N 0.593 116.086 115.700 -0.344 0.000 2.746 129 S HA 0.219 4.689 4.470 -0.000 0.000 0.273 129 S C -0.966 173.587 174.600 -0.077 0.000 1.172 129 S CA -0.524 57.565 58.200 -0.186 0.000 1.116 129 S CB 0.622 63.751 63.200 -0.119 0.000 1.057 129 S HN 0.652 nan 8.310 nan 0.000 0.483 130 T N 1.609 116.184 114.554 0.034 0.000 3.410 130 T HA 0.422 4.771 4.350 -0.000 0.000 0.328 130 T C 0.493 175.222 174.700 0.049 0.000 1.567 130 T CA -0.640 61.495 62.100 0.059 0.000 1.626 130 T CB 0.606 69.541 68.868 0.111 0.000 0.939 130 T HN 0.542 nan 8.240 nan 0.000 0.656 131 E N 1.759 121.960 120.200 0.002 0.000 2.216 131 E HA 0.044 4.394 4.350 -0.000 0.000 0.192 131 E C 0.450 177.026 176.600 -0.040 0.000 0.988 131 E CA 0.440 56.821 56.400 -0.031 0.000 0.834 131 E CB 0.209 29.883 29.700 -0.043 0.000 0.772 131 E HN 0.603 nan 8.360 nan 0.000 0.479 132 N N 0.695 119.377 118.700 -0.030 0.000 2.240 132 N HA 0.249 4.988 4.740 -0.000 0.000 0.302 132 N C -0.800 174.691 175.510 -0.030 0.000 1.106 132 N CA -0.172 52.856 53.050 -0.037 0.000 0.778 132 N CB 2.250 40.712 38.487 -0.042 0.000 1.431 132 N HN -0.075 nan 8.380 nan 0.000 0.479 133 T N -2.283 112.247 114.554 -0.040 0.000 2.909 133 T HA 0.333 4.682 4.350 -0.000 0.000 0.299 133 T C -0.273 174.392 174.700 -0.059 0.000 1.073 133 T CA -0.932 61.146 62.100 -0.036 0.000 0.999 133 T CB 2.110 70.960 68.868 -0.029 0.000 1.098 133 T HN 0.186 nan 8.240 nan 0.000 0.477 134 E N 1.288 121.460 120.200 -0.048 0.000 2.459 134 E HA 0.030 4.380 4.350 -0.000 0.000 0.264 134 E C 0.176 176.705 176.600 -0.118 0.000 1.055 134 E CA -0.013 56.349 56.400 -0.064 0.000 0.957 134 E CB 0.728 30.419 29.700 -0.015 0.000 0.952 134 E HN 0.529 nan 8.360 nan 0.000 0.448 135 K N 1.146 121.408 120.400 -0.230 0.000 2.436 135 K HA -0.123 4.197 4.320 -0.000 0.000 0.275 135 K C -0.149 176.305 176.600 -0.243 0.000 0.999 135 K CA 0.093 56.081 56.287 -0.498 0.000 0.980 135 K CB 0.333 32.238 32.500 -0.990 0.000 0.919 135 K HN 0.514 nan 8.250 nan 0.000 0.484 136 W N -0.146 121.129 121.300 -0.041 0.000 2.062 136 W HA -0.241 4.419 4.660 -0.000 0.000 0.257 136 W C 0.095 176.586 176.519 -0.047 0.000 1.024 136 W CA 0.550 57.867 57.345 -0.046 0.000 0.471 136 W CB -2.196 27.233 29.460 -0.052 0.000 2.039 136 W HN 0.636 nan 8.180 nan 0.000 1.321 137 D N 1.128 121.580 120.400 0.086 0.000 2.382 137 D HA 0.254 4.894 4.640 -0.000 0.000 0.245 137 D C 1.477 177.777 176.300 0.001 0.000 1.120 137 D CA 1.141 55.165 54.000 0.041 0.000 0.890 137 D CB 1.247 42.051 40.800 0.006 0.000 1.201 137 D HN -0.015 nan 8.370 nan 0.000 0.433 138 S N 3.207 118.897 115.700 -0.017 0.000 2.481 138 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 138 S C 1.091 175.590 174.600 -0.168 0.000 0.996 138 S CA -0.264 57.883 58.200 -0.088 0.000 0.942 138 S CB -0.111 63.070 63.200 -0.032 0.000 0.768 138 S HN 0.433 nan 8.310 nan 0.000 0.520 139 L N 2.703 123.867 121.223 -0.099 0.000 2.410 139 L HA 0.378 4.717 4.340 -0.000 0.000 0.273 139 L C -0.501 176.317 176.870 -0.088 0.000 1.144 139 L CA -0.097 54.686 54.840 -0.096 0.000 0.863 139 L CB 0.222 42.267 42.059 -0.024 0.000 1.140 139 L HN 0.271 nan 8.230 nan 0.000 0.463 140 L N 7.698 128.853 121.223 -0.113 0.000 2.334 140 L HA 0.515 4.855 4.340 -0.000 0.000 0.277 140 L C -1.929 174.920 176.870 -0.035 0.000 1.075 140 L CA -1.991 52.810 54.840 -0.066 0.000 0.804 140 L CB 1.060 43.069 42.059 -0.084 0.000 1.174 140 L HN 0.544 nan 8.230 nan 0.000 0.438 141 P HA 0.252 nan 4.420 nan 0.000 0.272 141 P C -1.105 176.164 177.300 -0.052 0.000 1.223 141 P CA -0.150 62.940 63.100 -0.017 0.000 0.784 141 P CB 1.209 32.895 31.700 -0.023 0.000 0.923 142 L N 2.908 124.076 121.223 -0.091 0.000 2.409 142 L HA 0.374 4.714 4.340 -0.000 0.000 0.262 142 L C -1.504 175.253 176.870 -0.188 0.000 0.992 142 L CA -2.089 52.636 54.840 -0.193 0.000 0.817 142 L CB 2.977 44.886 42.059 -0.251 0.000 1.350 142 L HN 0.168 nan 8.230 nan 0.000 0.411 143 P HA -0.001 nan 4.420 nan 0.000 0.229 143 P C -0.275 176.962 177.300 -0.104 0.000 1.160 143 P CA 0.947 63.910 63.100 -0.228 0.000 0.777 143 P CB 0.570 32.084 31.700 -0.309 0.000 0.814 144 E N -0.507 119.654 120.200 -0.064 0.000 2.369 144 E HA 0.447 4.797 4.350 -0.000 0.000 0.270 144 E C -2.794 173.841 176.600 0.058 0.000 0.909 144 E CA -2.883 53.510 56.400 -0.012 0.000 0.775 144 E CB 0.643 30.334 29.700 -0.015 0.000 1.270 144 E HN -0.094 nan 8.360 nan 0.000 0.445 145 P HA 0.048 nan 4.420 nan 0.000 0.268 145 P C -1.014 176.309 177.300 0.038 0.000 1.208 145 P CA 0.439 63.516 63.100 -0.038 0.000 0.777 145 P CB 0.022 31.674 31.700 -0.080 0.000 0.875 146 Y N -1.787 118.459 120.300 -0.090 0.000 2.571 146 Y HA 0.636 5.186 4.550 -0.000 0.000 0.341 146 Y C -1.299 174.565 175.900 -0.060 0.000 1.076 146 Y CA -1.650 56.392 58.100 -0.098 0.000 1.029 146 Y CB 0.541 38.922 38.460 -0.133 0.000 1.308 146 Y HN -0.013 nan 8.280 nan 0.000 0.461 147 V N 3.960 123.927 119.914 0.088 0.000 2.509 147 V HA 0.574 4.694 4.120 -0.000 0.000 0.284 147 V C 0.277 176.456 176.094 0.143 0.000 1.047 147 V CA -0.520 61.812 62.300 0.054 0.000 0.952 147 V CB 1.009 32.852 31.823 0.032 0.000 0.988 147 V HN 0.847 nan 8.190 nan 0.000 0.469 148 V N 3.075 123.044 119.914 0.091 0.000 2.994 148 V HA 0.577 4.697 4.120 -0.000 0.000 0.318 148 V C -2.121 173.950 176.094 -0.038 0.000 1.085 148 V CA -1.948 60.432 62.300 0.133 0.000 0.998 148 V CB 1.493 33.421 31.823 0.176 0.000 1.063 148 V HN 0.576 nan 8.190 nan 0.000 0.447 149 P HA 0.232 nan 4.420 nan 0.000 0.217 149 P C 0.637 177.531 177.300 -0.676 0.000 1.151 149 P CA 1.903 64.596 63.100 -0.678 0.000 0.828 149 P CB -0.138 30.979 31.700 -0.972 0.000 0.788 150 G N -3.394 105.295 108.800 -0.185 0.000 2.406 150 G HA2 0.367 4.327 3.960 -0.000 0.000 0.680 150 G HA3 0.367 4.327 3.960 -0.000 0.000 0.680 150 G C 0.200 175.204 174.900 0.174 0.000 1.338 150 G CA -0.295 44.800 45.100 -0.008 0.000 0.941 150 G HN 0.426 nan 8.290 nan 0.000 0.633 151 G N 0.794 109.668 108.800 0.123 0.000 2.622 151 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.307 151 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.307 151 G C 1.499 176.365 174.900 -0.058 0.000 1.226 151 G CA 2.201 47.338 45.100 0.062 0.000 0.997 151 G HN 2.264 nan 8.290 nan 0.000 0.551 152 R N 0.205 120.535 120.500 -0.284 0.000 2.307 152 R HA 0.232 4.572 4.340 -0.000 0.000 0.199 152 R C 0.486 176.538 176.300 -0.413 0.000 1.000 152 R CA 0.862 56.724 56.100 -0.397 0.000 1.023 152 R CB -0.154 29.809 30.300 -0.561 0.000 0.908 152 R HN 0.281 nan 8.270 nan 0.000 0.473 153 F N 2.509 122.514 119.950 0.091 0.000 2.451 153 F HA 0.359 4.886 4.527 -0.000 0.000 0.356 153 F C 0.582 176.501 175.800 0.200 0.000 1.178 153 F CA -0.924 57.175 58.000 0.166 0.000 1.210 153 F CB 0.736 39.721 39.000 -0.024 0.000 1.504 153 F HN -0.188 nan 8.300 nan 0.000 0.598 154 R N 2.965 123.655 120.500 0.316 0.000 3.179 154 R HA 0.186 4.526 4.340 -0.000 0.000 0.317 154 R C -0.095 176.365 176.300 0.267 0.000 1.331 154 R CA 0.023 56.255 56.100 0.220 0.000 1.184 154 R CB -0.127 30.247 30.300 0.124 0.000 1.408 154 R HN 0.558 nan 8.270 nan 0.000 0.598 155 E N -1.290 119.130 120.200 0.366 0.000 2.437 155 E HA 0.160 4.510 4.350 -0.000 0.000 0.280 155 E C -1.019 175.734 176.600 0.255 0.000 1.044 155 E CA -0.847 55.719 56.400 0.276 0.000 0.826 155 E CB 1.171 30.931 29.700 0.099 0.000 1.358 155 E HN -0.148 nan 8.360 nan 0.000 0.459 156 V N 1.019 120.947 119.914 0.023 0.000 2.775 156 V HA 0.273 4.393 4.120 -0.000 0.000 0.299 156 V C -1.217 174.842 176.094 -0.059 0.000 1.062 156 V CA 0.022 62.354 62.300 0.054 0.000 1.063 156 V CB 0.011 31.702 31.823 -0.220 0.000 0.994 156 V HN 0.560 nan 8.190 nan 0.000 0.483 157 Y N 5.943 126.353 120.300 0.184 0.000 2.376 157 Y HA 0.341 4.891 4.550 -0.000 0.000 0.340 157 Y C 0.408 176.526 175.900 0.362 0.000 0.965 157 Y CA -0.388 57.821 58.100 0.180 0.000 1.078 157 Y CB 1.202 39.667 38.460 0.009 0.000 1.193 157 Y HN 0.698 nan 8.280 nan 0.000 0.452 158 Y N 3.932 124.402 120.300 0.282 0.000 2.006 158 Y HA -0.302 4.248 4.550 -0.000 0.000 0.266 158 Y C 2.041 178.140 175.900 0.332 0.000 1.133 158 Y CA 2.279 60.493 58.100 0.190 0.000 1.098 158 Y CB -0.727 37.834 38.460 0.169 0.000 0.969 158 Y HN 0.813 nan 8.280 nan 0.000 0.482 159 W N 1.251 122.678 121.300 0.210 0.000 2.418 159 W HA -0.051 4.608 4.660 -0.000 0.000 0.292 159 W C 1.487 178.223 176.519 0.362 0.000 1.213 159 W CA 1.113 58.535 57.345 0.127 0.000 1.283 159 W CB -1.584 27.985 29.460 0.182 0.000 1.119 159 W HN 0.147 nan 8.180 nan 0.000 0.542 160 D N 1.343 121.894 120.400 0.252 0.000 2.158 160 D HA -0.199 4.441 4.640 -0.000 0.000 0.197 160 D C 2.312 178.779 176.300 0.278 0.000 0.995 160 D CA 2.734 56.797 54.000 0.105 0.000 0.846 160 D CB -0.508 40.075 40.800 -0.362 0.000 0.941 160 D HN 0.063 nan 8.370 nan 0.000 0.456 161 S N -0.600 115.291 115.700 0.319 0.000 2.382 161 S HA -0.188 4.282 4.470 -0.000 0.000 0.228 161 S C 1.672 176.419 174.600 0.245 0.000 1.027 161 S CA 0.591 58.989 58.200 0.330 0.000 0.991 161 S CB -0.391 63.148 63.200 0.564 0.000 0.823 161 S HN 0.371 nan 8.310 nan 0.000 0.469 162 Y N 1.629 121.972 120.300 0.071 0.000 2.128 162 Y HA -0.208 4.342 4.550 -0.000 0.000 0.284 162 Y C 1.696 177.472 175.900 -0.206 0.000 1.154 162 Y CA 1.481 59.502 58.100 -0.132 0.000 1.149 162 Y CB -0.630 37.577 38.460 -0.421 0.000 0.976 162 Y HN 0.240 nan 8.280 nan 0.000 0.505 163 F N -0.478 119.439 119.950 -0.055 0.000 2.186 163 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 163 F C 2.431 178.159 175.800 -0.121 0.000 1.090 163 F CA 1.659 59.575 58.000 -0.140 0.000 1.307 163 F CB -1.163 37.855 39.000 0.029 0.000 1.019 163 F HN -0.076 nan 8.300 nan 0.000 0.489 164 T N 0.452 115.095 114.554 0.149 0.000 2.652 164 T HA -0.266 4.084 4.350 -0.000 0.000 0.267 164 T C 2.023 176.628 174.700 -0.157 0.000 1.039 164 T CA 1.760 63.906 62.100 0.077 0.000 1.153 164 T CB -0.435 68.489 68.868 0.093 0.000 0.863 164 T HN 0.190 nan 8.240 nan 0.000 0.428 165 M N 0.496 119.977 119.600 -0.198 0.000 2.149 165 M HA -0.030 4.450 4.480 -0.000 0.000 0.261 165 M C 2.191 178.242 176.300 -0.415 0.000 1.064 165 M CA 1.433 56.549 55.300 -0.306 0.000 1.102 165 M CB -0.706 31.790 32.600 -0.172 0.000 1.369 165 M HN 0.177 nan 8.290 nan 0.000 0.408 166 L N -0.535 120.417 121.223 -0.452 0.000 2.043 166 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 166 L C 2.666 179.336 176.870 -0.334 0.000 1.075 166 L CA 1.480 56.065 54.840 -0.424 0.000 0.752 166 L CB -1.354 40.413 42.059 -0.486 0.000 0.891 166 L HN 0.445 nan 8.230 nan 0.000 0.432 167 G N -0.095 108.560 108.800 -0.241 0.000 2.404 167 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.215 167 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.215 167 G C 1.628 176.374 174.900 -0.255 0.000 1.174 167 G CA 0.514 45.569 45.100 -0.074 0.000 0.780 167 G HN 0.208 nan 8.290 nan 0.000 0.537 168 L N 0.754 121.584 121.223 -0.656 0.000 2.012 168 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 168 L C 3.452 179.917 176.870 -0.675 0.000 1.073 168 L CA 1.223 55.559 54.840 -0.841 0.000 0.748 168 L CB -0.487 41.060 42.059 -0.852 0.000 0.891 168 L HN 0.310 nan 8.230 nan 0.000 0.431 169 A N -0.471 121.862 122.820 -0.811 0.000 1.865 169 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 169 A C 2.304 179.473 177.584 -0.691 0.000 1.191 169 A CA 1.854 53.146 52.037 -1.242 0.000 0.623 169 A CB -0.663 17.618 19.000 -1.199 0.000 0.826 169 A HN 0.424 nan 8.150 nan 0.000 0.444 170 E N 0.731 120.711 120.200 -0.366 0.000 2.171 170 E HA -0.169 4.181 4.350 -0.000 0.000 0.197 170 E C 1.518 178.051 176.600 -0.112 0.000 0.997 170 E CA 1.623 57.927 56.400 -0.159 0.000 0.810 170 E CB -0.173 29.462 29.700 -0.109 0.000 0.738 170 E HN 0.648 nan 8.360 nan 0.000 0.467 171 S N -1.791 113.830 115.700 -0.132 0.000 2.574 171 S HA 0.401 4.871 4.470 -0.000 0.000 0.242 171 S C 1.116 175.556 174.600 -0.267 0.000 0.982 171 S CA 0.340 58.512 58.200 -0.046 0.000 0.977 171 S CB 0.552 63.885 63.200 0.221 0.000 0.814 171 S HN 0.328 nan 8.310 nan 0.000 0.464 172 G N 1.809 110.395 108.800 -0.357 0.000 2.143 172 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.249 172 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.249 172 G C -0.018 174.549 174.900 -0.555 0.000 0.981 172 G CA 0.071 44.946 45.100 -0.374 0.000 0.665 172 G HN 0.680 nan 8.290 nan 0.000 0.528 173 H N -0.813 117.996 119.070 -0.435 0.000 2.553 173 H HA 0.313 4.869 4.556 -0.000 0.000 0.222 173 H C 1.089 176.162 175.328 -0.425 0.000 1.779 173 H CA -0.716 55.107 56.048 -0.375 0.000 1.241 173 H CB -0.377 29.117 29.762 -0.446 0.000 1.647 173 H HN 0.603 nan 8.280 nan 0.000 0.523 174 W N 0.670 121.842 121.300 -0.214 0.000 2.402 174 W HA -0.116 4.544 4.660 -0.000 0.000 0.286 174 W C 1.566 178.005 176.519 -0.134 0.000 1.221 174 W CA 0.347 57.524 57.345 -0.279 0.000 1.257 174 W CB 0.256 29.307 29.460 -0.681 0.000 1.120 174 W HN 0.308 nan 8.180 nan 0.000 0.551 175 D N 0.076 120.544 120.400 0.112 0.000 2.117 175 D HA -0.168 4.471 4.640 -0.000 0.000 0.197 175 D C 1.867 178.190 176.300 0.039 0.000 0.987 175 D CA 1.299 55.353 54.000 0.090 0.000 0.829 175 D CB -0.325 40.519 40.800 0.074 0.000 0.961 175 D HN 0.001 nan 8.370 nan 0.000 0.460 176 K N 0.430 120.816 120.400 -0.024 0.000 2.057 176 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 176 K C 1.955 178.509 176.600 -0.076 0.000 1.049 176 K CA 0.489 56.726 56.287 -0.083 0.000 0.931 176 K CB -0.382 32.001 32.500 -0.196 0.000 0.714 176 K HN -0.072 nan 8.250 nan 0.000 0.440 177 V N 0.754 120.609 119.914 -0.098 0.000 2.287 177 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 177 V C 2.270 178.410 176.094 0.077 0.000 1.053 177 V CA 2.140 64.412 62.300 -0.046 0.000 1.027 177 V CB -0.840 30.928 31.823 -0.092 0.000 0.646 177 V HN 0.478 nan 8.190 nan 0.000 0.447 178 A N -0.472 122.424 122.820 0.127 0.000 1.930 178 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 178 A C 1.982 179.635 177.584 0.113 0.000 1.175 178 A CA 1.832 53.964 52.037 0.158 0.000 0.627 178 A CB -0.618 18.494 19.000 0.187 0.000 0.815 178 A HN 0.532 nan 8.150 nan 0.000 0.443 179 D N -0.358 120.083 120.400 0.068 0.000 2.116 179 D HA -0.176 4.463 4.640 -0.000 0.000 0.193 179 D C 1.956 178.256 176.300 0.001 0.000 0.998 179 D CA 1.590 55.609 54.000 0.033 0.000 0.836 179 D CB -0.296 40.508 40.800 0.008 0.000 0.951 179 D HN 0.492 nan 8.370 nan 0.000 0.449 180 M N -0.326 119.275 119.600 0.003 0.000 2.236 180 M HA -0.087 4.392 4.480 -0.000 0.000 0.266 180 M C 2.239 178.556 176.300 0.027 0.000 1.070 180 M CA 0.460 55.725 55.300 -0.058 0.000 1.137 180 M CB 0.196 32.816 32.600 0.035 0.000 1.378 180 M HN -0.126 nan 8.290 nan 0.000 0.426 181 V N 0.447 120.452 119.914 0.151 0.000 2.332 181 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 181 V C 2.600 178.743 176.094 0.083 0.000 1.055 181 V CA 2.102 64.507 62.300 0.175 0.000 1.038 181 V CB -1.242 30.566 31.823 -0.025 0.000 0.651 181 V HN 0.523 nan 8.190 nan 0.000 0.450 182 A N 0.227 123.092 122.820 0.075 0.000 1.902 182 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 182 A C 2.087 179.707 177.584 0.060 0.000 1.181 182 A CA 1.991 54.116 52.037 0.146 0.000 0.623 182 A CB -0.686 18.407 19.000 0.155 0.000 0.818 182 A HN 0.580 nan 8.150 nan 0.000 0.443 183 N N -0.475 118.173 118.700 -0.086 0.000 2.069 183 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 183 N C 1.357 176.730 175.510 -0.227 0.000 1.031 183 N CA 1.585 54.495 53.050 -0.233 0.000 0.852 183 N CB -0.634 37.579 38.487 -0.457 0.000 1.018 183 N HN 0.469 nan 8.380 nan 0.000 0.423 184 F N 1.239 121.167 119.950 -0.037 0.000 2.146 184 F HA 0.010 4.537 4.527 -0.000 0.000 0.298 184 F C 2.403 177.988 175.800 -0.360 0.000 1.096 184 F CA 0.683 58.562 58.000 -0.200 0.000 1.275 184 F CB -1.041 37.883 39.000 -0.125 0.000 1.008 184 F HN 0.004 nan 8.300 nan 0.000 0.480 185 A N -0.631 122.169 122.820 -0.033 0.000 1.908 185 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 185 A C 2.044 179.619 177.584 -0.015 0.000 1.181 185 A CA 2.166 54.184 52.037 -0.032 0.000 0.627 185 A CB -1.331 17.876 19.000 0.344 0.000 0.818 185 A HN 0.543 nan 8.150 nan 0.000 0.445 186 H N -0.195 118.837 119.070 -0.064 0.000 2.353 186 H HA -0.085 4.471 4.556 -0.000 0.000 0.300 186 H C 1.922 177.123 175.328 -0.213 0.000 1.090 186 H CA 1.995 57.973 56.048 -0.117 0.000 1.327 186 H CB -0.122 29.571 29.762 -0.114 0.000 1.383 186 H HN 0.608 nan 8.280 nan 0.000 0.508 187 E N 0.059 120.154 120.200 -0.175 0.000 2.085 187 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 187 E C 2.315 178.722 176.600 -0.322 0.000 0.994 187 E CA 1.364 57.626 56.400 -0.230 0.000 0.801 187 E CB -0.055 29.640 29.700 -0.007 0.000 0.743 187 E HN 0.565 nan 8.360 nan 0.000 0.453 188 I N 1.230 121.622 120.570 -0.296 0.000 2.163 188 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 188 I C 2.288 178.262 176.117 -0.240 0.000 1.085 188 I CA 1.384 62.522 61.300 -0.269 0.000 1.347 188 I CB -0.185 37.653 38.000 -0.270 0.000 1.044 188 I HN 0.059 nan 8.210 nan 0.000 0.408 189 D N 0.051 120.294 120.400 -0.261 0.000 2.144 189 D HA -0.152 4.487 4.640 -0.000 0.000 0.199 189 D C 2.071 178.158 176.300 -0.355 0.000 0.984 189 D CA 1.521 55.375 54.000 -0.244 0.000 0.834 189 D CB 0.140 40.816 40.800 -0.205 0.000 0.955 189 D HN 0.185 nan 8.370 nan 0.000 0.465 190 T N -1.405 112.782 114.554 -0.613 0.000 2.894 190 T HA -0.046 4.304 4.350 -0.000 0.000 0.258 190 T C 0.952 175.249 174.700 -0.670 0.000 1.043 190 T CA 0.868 62.497 62.100 -0.784 0.000 1.141 190 T CB -0.157 67.912 68.868 -1.332 0.000 0.873 190 T HN 0.207 nan 8.240 nan 0.000 0.449 191 Y N -0.072 120.058 120.300 -0.283 0.000 2.462 191 Y HA 0.473 5.023 4.550 -0.000 0.000 0.253 191 Y C 2.026 177.803 175.900 -0.206 0.000 1.095 191 Y CA -0.323 57.614 58.100 -0.272 0.000 1.283 191 Y CB 0.121 38.321 38.460 -0.434 0.000 1.138 191 Y HN 0.307 nan 8.280 nan 0.000 0.522 192 G N -0.083 108.658 108.800 -0.097 0.000 2.213 192 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.226 192 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.226 192 G C 0.073 174.932 174.900 -0.068 0.000 0.992 192 G CA 0.163 45.257 45.100 -0.011 0.000 0.632 192 G HN 0.599 nan 8.290 nan 0.000 0.511 193 H N -1.407 117.473 119.070 -0.316 0.000 2.932 193 H HA 0.551 5.107 4.556 -0.000 0.000 0.307 193 H C -1.200 173.881 175.328 -0.412 0.000 1.391 193 H CA -1.122 54.568 56.048 -0.597 0.000 1.130 193 H CB 0.567 29.403 29.762 -1.543 0.000 1.836 193 H HN 0.194 nan 8.280 nan 0.000 0.522 194 I N 3.331 123.641 120.570 -0.434 0.000 2.301 194 I HA 0.195 4.365 4.170 -0.000 0.000 0.292 194 I C -2.185 173.767 176.117 -0.275 0.000 1.046 194 I CA -1.823 59.201 61.300 -0.461 0.000 1.282 194 I CB 1.373 38.847 38.000 -0.876 0.000 1.409 194 I HN 0.236 nan 8.210 nan 0.000 0.484 195 P HA 0.008 nan 4.420 nan 0.000 0.272 195 P C 0.377 177.655 177.300 -0.037 0.000 1.230 195 P CA -0.190 62.841 63.100 -0.114 0.000 0.788 195 P CB 0.714 32.261 31.700 -0.254 0.000 0.949 196 N N 0.796 119.491 118.700 -0.009 0.000 2.133 196 N HA -0.155 4.585 4.740 -0.000 0.000 0.193 196 N C 0.698 176.011 175.510 -0.327 0.000 1.012 196 N CA 2.043 55.009 53.050 -0.139 0.000 0.871 196 N CB -0.368 37.895 38.487 -0.374 0.000 1.011 196 N HN 0.690 nan 8.380 nan 0.000 0.435 197 G N -1.242 107.366 108.800 -0.321 0.000 2.623 197 G HA2 0.168 4.128 3.960 -0.000 0.000 0.290 197 G HA3 0.168 4.128 3.960 -0.000 0.000 0.290 197 G C -1.227 173.606 174.900 -0.113 0.000 1.437 197 G CA -0.503 44.401 45.100 -0.328 0.000 0.798 197 G HN 0.346 nan 8.290 nan 0.000 0.488 198 N N 1.069 119.653 118.700 -0.194 0.000 3.254 198 N HA 0.124 4.864 4.740 -0.000 0.000 0.308 198 N C -0.273 175.082 175.510 -0.257 0.000 1.281 198 N CA -0.052 52.864 53.050 -0.223 0.000 1.212 198 N CB 0.303 38.629 38.487 -0.269 0.000 1.478 198 N HN 0.264 nan 8.380 nan 0.000 0.548 199 R N 0.009 120.303 120.500 -0.343 0.000 2.750 199 R HA 0.214 4.554 4.340 -0.000 0.000 0.281 199 R C 1.123 177.031 176.300 -0.653 0.000 0.972 199 R CA -0.478 55.208 56.100 -0.690 0.000 0.912 199 R CB 1.649 31.031 30.300 -1.530 0.000 1.187 199 R HN 0.402 nan 8.270 nan 0.000 0.464 200 S N 1.334 116.705 115.700 -0.548 0.000 2.387 200 S HA -0.238 4.232 4.470 -0.000 0.000 0.230 200 S C 1.626 176.056 174.600 -0.283 0.000 1.035 200 S CA 1.672 59.667 58.200 -0.341 0.000 1.014 200 S CB -0.596 62.486 63.200 -0.196 0.000 0.836 200 S HN 0.750 nan 8.310 nan 0.000 0.466 201 Y N -1.164 118.995 120.300 -0.235 0.000 2.529 201 Y HA 0.431 4.981 4.550 -0.000 0.000 0.290 201 Y C 1.127 176.968 175.900 -0.099 0.000 1.177 201 Y CA -0.752 57.229 58.100 -0.198 0.000 1.305 201 Y CB -0.778 37.538 38.460 -0.240 0.000 1.047 201 Y HN 0.160 nan 8.280 nan 0.000 0.522 202 Y N -0.125 120.098 120.300 -0.128 0.000 2.467 202 Y HA 0.287 4.837 4.550 -0.000 0.000 0.250 202 Y C 1.679 177.531 175.900 -0.079 0.000 1.155 202 Y CA -1.037 57.030 58.100 -0.055 0.000 1.249 202 Y CB -0.199 38.174 38.460 -0.145 0.000 1.146 202 Y HN 0.226 nan 8.280 nan 0.000 0.524 203 L N -0.191 121.026 121.223 -0.010 0.000 2.191 203 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 203 L C 2.164 179.108 176.870 0.123 0.000 1.103 203 L CA 1.708 56.509 54.840 -0.065 0.000 0.769 203 L CB -0.420 41.517 42.059 -0.203 0.000 0.908 203 L HN 0.224 nan 8.230 nan 0.000 0.438 204 S N -0.165 115.591 115.700 0.093 0.000 2.607 204 S HA 0.015 4.484 4.470 -0.000 0.000 0.224 204 S C 0.707 175.334 174.600 0.044 0.000 0.969 204 S CA -0.416 57.825 58.200 0.068 0.000 0.927 204 S CB -0.225 62.996 63.200 0.034 0.000 0.772 204 S HN 0.524 nan 8.310 nan 0.000 0.533 205 R N -1.324 119.234 120.500 0.097 0.000 2.781 205 R HA 0.765 5.105 4.340 -0.000 0.000 0.269 205 R C -0.313 176.062 176.300 0.126 0.000 1.025 205 R CA -0.743 55.396 56.100 0.064 0.000 0.914 205 R CB 0.971 31.303 30.300 0.054 0.000 1.236 205 R HN -0.015 nan 8.270 nan 0.000 0.465 206 S N -0.924 114.861 115.700 0.142 0.000 3.339 206 S HA 0.461 4.931 4.470 -0.000 0.000 0.221 206 S C -0.670 174.141 174.600 0.351 0.000 1.059 206 S CA -0.449 57.918 58.200 0.278 0.000 1.365 206 S CB 0.878 64.256 63.200 0.297 0.000 1.065 206 S HN 0.611 nan 8.310 nan 0.000 0.618 207 Q N -0.342 119.808 119.800 0.583 0.000 2.782 207 Q HA 0.358 4.697 4.340 -0.000 0.000 0.308 207 Q C -2.949 173.221 176.000 0.284 0.000 0.883 207 Q CA -1.896 54.074 55.803 0.278 0.000 0.755 207 Q CB 1.739 30.606 28.738 0.214 0.000 1.454 207 Q HN 0.301 nan 8.270 nan 0.000 0.452 208 P HA -0.003 nan 4.420 nan 0.000 0.260 208 P C -2.518 174.747 177.300 -0.057 0.000 1.172 208 P CA -0.371 62.744 63.100 0.025 0.000 0.760 208 P CB -0.128 31.516 31.700 -0.093 0.000 0.773 209 P HA 0.178 nan 4.420 nan 0.000 0.286 209 P C -0.560 176.612 177.300 -0.215 0.000 1.321 209 P CA 0.132 63.156 63.100 -0.127 0.000 0.790 209 P CB 0.216 31.820 31.700 -0.159 0.000 0.897 210 F N 1.327 121.158 119.950 -0.198 0.000 2.746 210 F HA 0.195 4.721 4.527 -0.000 0.000 0.320 210 F C 1.791 177.657 175.800 0.109 0.000 1.097 210 F CA -0.283 57.655 58.000 -0.103 0.000 1.195 210 F CB 0.030 38.921 39.000 -0.181 0.000 1.056 210 F HN 0.126 nan 8.300 nan 0.000 0.562 211 F N 1.507 121.663 119.950 0.343 0.000 2.134 211 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 211 F C 2.221 178.101 175.800 0.134 0.000 1.097 211 F CA 1.635 59.780 58.000 0.242 0.000 1.264 211 F CB -0.455 38.669 39.000 0.208 0.000 1.001 211 F HN -0.053 nan 8.300 nan 0.000 0.479 212 A N 0.208 123.029 122.820 0.001 0.000 1.933 212 A HA -0.125 4.194 4.320 -0.000 0.000 0.218 212 A C 2.061 179.545 177.584 -0.166 0.000 1.175 212 A CA 1.784 53.718 52.037 -0.172 0.000 0.628 212 A CB -1.081 17.859 19.000 -0.101 0.000 0.814 212 A HN 0.421 nan 8.150 nan 0.000 0.444 213 L N -0.972 120.177 121.223 -0.124 0.000 2.093 213 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 213 L C 2.711 179.665 176.870 0.139 0.000 1.085 213 L CA 1.586 56.372 54.840 -0.089 0.000 0.755 213 L CB -0.550 41.291 42.059 -0.363 0.000 0.904 213 L HN 0.371 nan 8.230 nan 0.000 0.435 214 M N -1.690 118.007 119.600 0.161 0.000 2.117 214 M HA -0.187 4.293 4.480 -0.000 0.000 0.262 214 M C 2.237 178.559 176.300 0.036 0.000 1.065 214 M CA 1.281 56.722 55.300 0.234 0.000 1.114 214 M CB -0.421 32.316 32.600 0.227 0.000 1.361 214 M HN 0.065 nan 8.290 nan 0.000 0.408 215 V N 0.079 119.873 119.914 -0.200 0.000 2.343 215 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 215 V C 2.264 178.349 176.094 -0.015 0.000 1.051 215 V CA 1.973 64.163 62.300 -0.183 0.000 1.036 215 V CB -0.683 30.945 31.823 -0.324 0.000 0.654 215 V HN 0.403 nan 8.190 nan 0.000 0.451 216 E N 0.319 120.516 120.200 -0.005 0.000 2.058 216 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 216 E C 1.958 178.631 176.600 0.121 0.000 0.997 216 E CA 1.487 57.913 56.400 0.043 0.000 0.801 216 E CB -0.553 29.169 29.700 0.036 0.000 0.746 216 E HN 0.413 nan 8.360 nan 0.000 0.450 217 L N 0.055 121.396 121.223 0.196 0.000 2.012 217 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 217 L C 2.249 179.321 176.870 0.336 0.000 1.073 217 L CA 1.783 56.786 54.840 0.272 0.000 0.748 217 L CB -0.921 41.295 42.059 0.263 0.000 0.891 217 L HN 0.349 nan 8.230 nan 0.000 0.431 218 L N -0.059 121.332 121.223 0.280 0.000 2.083 218 L HA -0.041 4.299 4.340 -0.000 0.000 0.209 218 L C 2.479 179.429 176.870 0.134 0.000 1.083 218 L CA 1.956 56.972 54.840 0.293 0.000 0.752 218 L CB -1.099 41.096 42.059 0.226 0.000 0.899 218 L HN 0.316 nan 8.230 nan 0.000 0.433 219 A N -1.287 121.590 122.820 0.095 0.000 2.019 219 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 219 A C 2.176 179.752 177.584 -0.014 0.000 1.164 219 A CA 1.631 53.685 52.037 0.029 0.000 0.644 219 A CB -0.537 18.479 19.000 0.026 0.000 0.805 219 A HN 0.657 nan 8.150 nan 0.000 0.449 220 Q N -1.900 117.917 119.800 0.028 0.000 2.181 220 Q HA -0.247 4.093 4.340 -0.000 0.000 0.205 220 Q C 1.931 177.834 176.000 -0.162 0.000 0.980 220 Q CA 1.857 57.660 55.803 -0.000 0.000 0.862 220 Q CB -0.179 28.640 28.738 0.135 0.000 0.905 220 Q HN 0.959 nan 8.270 nan 0.000 0.429 221 H N -0.165 118.609 119.070 -0.494 0.000 2.476 221 H HA 0.105 4.660 4.556 -0.000 0.000 0.292 221 H C 0.889 175.950 175.328 -0.444 0.000 1.019 221 H CA 0.875 56.432 56.048 -0.818 0.000 1.330 221 H CB 0.608 29.288 29.762 -1.803 0.000 1.451 221 H HN 0.103 nan 8.280 nan 0.000 0.535 222 E N 0.064 120.090 120.200 -0.290 0.000 2.481 222 E HA 0.226 4.576 4.350 -0.000 0.000 0.198 222 E C 0.719 177.231 176.600 -0.147 0.000 1.027 222 E CA 0.111 56.380 56.400 -0.219 0.000 0.900 222 E CB 0.903 30.568 29.700 -0.058 0.000 0.993 222 E HN 0.582 nan 8.360 nan 0.000 0.482 223 G N 2.163 110.883 108.800 -0.133 0.000 2.692 223 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.248 223 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.248 223 G C 0.149 175.021 174.900 -0.047 0.000 1.340 223 G CA -0.013 45.036 45.100 -0.085 0.000 0.896 223 G HN 0.180 nan 8.290 nan 0.000 0.570 224 D N 0.167 120.543 120.400 -0.040 0.000 2.271 224 D HA 0.029 4.668 4.640 -0.000 0.000 0.207 224 D C 2.691 178.978 176.300 -0.021 0.000 0.983 224 D CA 2.118 56.103 54.000 -0.026 0.000 0.878 224 D CB -0.618 40.166 40.800 -0.027 0.000 0.920 224 D HN 0.939 nan 8.370 nan 0.000 0.479 225 A N 0.833 123.635 122.820 -0.029 0.000 1.948 225 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 225 A C 2.320 179.896 177.584 -0.014 0.000 1.177 225 A CA 2.201 54.221 52.037 -0.029 0.000 0.636 225 A CB -0.672 18.305 19.000 -0.038 0.000 0.815 225 A HN 0.265 nan 8.150 nan 0.000 0.449 226 A N -0.146 122.687 122.820 0.021 0.000 1.877 226 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 226 A C 2.151 179.803 177.584 0.115 0.000 1.186 226 A CA 1.455 53.553 52.037 0.102 0.000 0.620 226 A CB -0.626 18.456 19.000 0.136 0.000 0.822 226 A HN 0.493 nan 8.150 nan 0.000 0.443 227 L N -0.657 120.598 121.223 0.053 0.000 2.042 227 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 227 L C 2.620 179.506 176.870 0.026 0.000 1.076 227 L CA 1.850 56.710 54.840 0.033 0.000 0.749 227 L CB -0.571 41.486 42.059 -0.004 0.000 0.893 227 L HN 0.357 nan 8.230 nan 0.000 0.432 228 K N -0.210 120.190 120.400 0.000 0.000 2.025 228 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 228 K C 2.172 178.745 176.600 -0.045 0.000 1.049 228 K CA 1.434 57.712 56.287 -0.016 0.000 0.933 228 K CB -0.164 32.321 32.500 -0.026 0.000 0.714 228 K HN 0.324 nan 8.250 nan 0.000 0.438 229 Q N -0.074 119.661 119.800 -0.108 0.000 2.061 229 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 229 Q C 0.871 176.673 176.000 -0.330 0.000 0.984 229 Q CA 1.707 57.336 55.803 -0.290 0.000 0.846 229 Q CB 0.048 28.492 28.738 -0.491 0.000 0.902 229 Q HN 0.356 nan 8.270 nan 0.000 0.421 230 Y N -0.379 119.963 120.300 0.070 0.000 2.485 230 Y HA 0.055 4.605 4.550 -0.000 0.000 0.260 230 Y C 1.272 177.245 175.900 0.122 0.000 1.173 230 Y CA -0.294 57.883 58.100 0.128 0.000 1.252 230 Y CB 0.251 38.786 38.460 0.124 0.000 1.123 230 Y HN 0.197 nan 8.280 nan 0.000 0.524 231 L N 1.788 123.105 121.223 0.156 0.000 2.042 231 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 231 L C -0.925 176.031 176.870 0.143 0.000 1.076 231 L CA 2.122 57.027 54.840 0.109 0.000 0.749 231 L CB -1.335 40.756 42.059 0.055 0.000 0.893 231 L HN -0.015 nan 8.230 nan 0.000 0.432 232 P HA -0.143 nan 4.420 nan 0.000 0.216 232 P C 1.411 178.820 177.300 0.181 0.000 1.153 232 P CA 1.367 64.549 63.100 0.138 0.000 0.848 232 P CB 0.048 31.807 31.700 0.099 0.000 0.787 233 Q N -1.492 118.462 119.800 0.257 0.000 2.123 233 Q HA -0.002 4.337 4.340 -0.000 0.000 0.199 233 Q C 2.191 178.406 176.000 0.358 0.000 0.966 233 Q CA 1.384 57.355 55.803 0.278 0.000 0.845 233 Q CB -0.758 28.190 28.738 0.350 0.000 0.907 233 Q HN 0.244 nan 8.270 nan 0.000 0.439 234 M N -0.071 119.802 119.600 0.455 0.000 2.159 234 M HA -0.223 4.256 4.480 -0.000 0.000 0.263 234 M C 2.025 178.480 176.300 0.258 0.000 1.063 234 M CA 1.520 57.049 55.300 0.382 0.000 1.110 234 M CB -0.190 32.528 32.600 0.196 0.000 1.374 234 M HN 0.254 nan 8.290 nan 0.000 0.411 235 Q N -0.009 119.914 119.800 0.206 0.000 2.079 235 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 235 Q C 2.055 178.226 176.000 0.285 0.000 0.974 235 Q CA 1.246 57.191 55.803 0.237 0.000 0.840 235 Q CB -0.145 28.722 28.738 0.215 0.000 0.898 235 Q HN 0.219 nan 8.270 nan 0.000 0.430 236 K N 1.433 121.968 120.400 0.225 0.000 2.097 236 K HA -0.181 4.139 4.320 -0.000 0.000 0.205 236 K C 1.740 178.482 176.600 0.236 0.000 1.050 236 K CA 1.424 57.826 56.287 0.191 0.000 0.938 236 K CB -0.080 32.491 32.500 0.118 0.000 0.718 236 K HN 0.156 nan 8.250 nan 0.000 0.442 237 E N -1.079 119.284 120.200 0.271 0.000 2.077 237 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 237 E C 1.736 178.674 176.600 0.564 0.000 0.989 237 E CA 1.080 57.699 56.400 0.366 0.000 0.800 237 E CB -0.257 29.678 29.700 0.391 0.000 0.746 237 E HN 0.425 nan 8.360 nan 0.000 0.452 238 Y N 0.828 121.342 120.300 0.356 0.000 2.165 238 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 238 Y C 2.046 178.121 175.900 0.292 0.000 1.155 238 Y CA 1.593 59.892 58.100 0.332 0.000 1.164 238 Y CB -0.621 37.967 38.460 0.213 0.000 0.978 238 Y HN 0.105 nan 8.280 nan 0.000 0.513 239 A N -0.792 122.167 122.820 0.233 0.000 1.972 239 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 239 A C 2.134 179.752 177.584 0.056 0.000 1.169 239 A CA 1.581 53.666 52.037 0.081 0.000 0.635 239 A CB -1.476 17.601 19.000 0.128 0.000 0.810 239 A HN 0.705 nan 8.150 nan 0.000 0.446 240 Y N -0.988 119.313 120.300 0.001 0.000 2.089 240 Y HA -0.246 4.303 4.550 -0.000 0.000 0.282 240 Y C 2.093 177.870 175.900 -0.204 0.000 1.139 240 Y CA 1.875 59.902 58.100 -0.121 0.000 1.123 240 Y CB -0.712 37.651 38.460 -0.163 0.000 0.980 240 Y HN 0.411 nan 8.280 nan 0.000 0.493 241 W N -0.147 121.090 121.300 -0.105 0.000 2.338 241 W HA -0.258 4.402 4.660 -0.000 0.000 0.304 241 W C 2.017 178.337 176.519 -0.331 0.000 1.212 241 W CA 1.319 58.513 57.345 -0.251 0.000 1.264 241 W CB -0.364 29.074 29.460 -0.036 0.000 1.142 241 W HN 0.078 nan 8.180 nan 0.000 0.512 242 M N 0.084 119.594 119.600 -0.150 0.000 2.561 242 M HA 0.074 4.554 4.480 -0.000 0.000 0.238 242 M C -0.319 175.860 176.300 -0.201 0.000 1.131 242 M CA 0.224 55.383 55.300 -0.235 0.000 1.046 242 M CB -1.833 30.517 32.600 -0.417 0.000 1.532 242 M HN -0.139 nan 8.290 nan 0.000 0.497 243 D N 0.955 121.225 120.400 -0.215 0.000 2.531 243 D HA 0.241 4.881 4.640 -0.000 0.000 0.239 243 D C 1.409 177.604 176.300 -0.174 0.000 1.144 243 D CA 2.051 55.945 54.000 -0.178 0.000 0.869 243 D CB 0.398 41.080 40.800 -0.196 0.000 1.160 243 D HN 0.573 nan 8.370 nan 0.000 0.484 244 G N 2.149 110.872 108.800 -0.127 0.000 2.176 244 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.253 244 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.253 244 G C 1.134 175.968 174.900 -0.110 0.000 0.979 244 G CA 0.292 45.322 45.100 -0.117 0.000 0.641 244 G HN 0.691 nan 8.290 nan 0.000 0.530 245 V N 0.627 120.474 119.914 -0.112 0.000 2.407 245 V HA -0.093 4.027 4.120 -0.000 0.000 0.248 245 V C 2.575 178.626 176.094 -0.072 0.000 1.055 245 V CA 3.253 65.494 62.300 -0.099 0.000 1.049 245 V CB -0.192 31.570 31.823 -0.103 0.000 0.662 245 V HN 0.549 nan 8.190 nan 0.000 0.455 246 E N 0.730 120.894 120.200 -0.060 0.000 2.209 246 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 246 E C 1.562 178.136 176.600 -0.042 0.000 0.993 246 E CA 1.492 57.867 56.400 -0.043 0.000 0.819 246 E CB -0.213 29.467 29.700 -0.033 0.000 0.745 246 E HN 0.617 nan 8.360 nan 0.000 0.477 247 N N -0.069 118.601 118.700 -0.050 0.000 2.204 247 N HA 0.077 4.817 4.740 -0.000 0.000 0.219 247 N C -0.499 174.979 175.510 -0.054 0.000 1.151 247 N CA -0.183 52.839 53.050 -0.047 0.000 0.867 247 N CB 0.566 39.027 38.487 -0.044 0.000 1.043 247 N HN 0.106 nan 8.380 nan 0.000 0.516 248 L N 1.832 123.017 121.223 -0.063 0.000 2.305 248 L HA 0.233 4.573 4.340 -0.000 0.000 0.281 248 L C 0.133 176.969 176.870 -0.058 0.000 1.085 248 L CA -0.176 54.621 54.840 -0.071 0.000 0.813 248 L CB 0.748 42.753 42.059 -0.090 0.000 1.157 248 L HN 0.003 nan 8.230 nan 0.000 0.436 249 Q N 3.308 123.076 119.800 -0.053 0.000 2.260 249 Q HA 0.633 4.973 4.340 -0.000 0.000 0.238 249 Q C -0.109 175.864 176.000 -0.044 0.000 0.948 249 Q CA -0.581 55.196 55.803 -0.042 0.000 0.895 249 Q CB 0.999 29.716 28.738 -0.035 0.000 1.218 249 Q HN 0.877 nan 8.270 nan 0.000 0.470 250 A N 0.643 123.440 122.820 -0.038 0.000 2.498 250 A HA 0.421 4.740 4.320 -0.000 0.000 0.239 250 A C 1.106 178.668 177.584 -0.036 0.000 1.068 250 A CA 0.643 52.655 52.037 -0.040 0.000 0.766 250 A CB -0.648 18.331 19.000 -0.035 0.000 1.003 250 A HN 1.020 nan 8.150 nan 0.000 0.497 251 G N 0.676 109.454 108.800 -0.036 0.000 2.143 251 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.249 251 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.249 251 G C 0.100 174.995 174.900 -0.008 0.000 0.981 251 G CA 0.720 45.811 45.100 -0.014 0.000 0.665 251 G HN 0.957 nan 8.290 nan 0.000 0.528 252 Q N -1.158 118.622 119.800 -0.032 0.000 2.445 252 Q HA 0.710 5.050 4.340 -0.000 0.000 0.281 252 Q C -0.663 175.295 176.000 -0.071 0.000 1.101 252 Q CA -0.849 54.927 55.803 -0.044 0.000 0.833 252 Q CB 1.493 30.199 28.738 -0.053 0.000 1.416 252 Q HN 0.324 nan 8.270 nan 0.000 0.451 253 Q N 0.548 120.289 119.800 -0.098 0.000 2.397 253 Q HA 0.452 4.792 4.340 -0.000 0.000 0.275 253 Q C -1.735 174.124 176.000 -0.235 0.000 1.090 253 Q CA -0.785 54.925 55.803 -0.155 0.000 0.809 253 Q CB 2.451 31.104 28.738 -0.141 0.000 1.362 253 Q HN 0.513 nan 8.270 nan 0.000 0.431 254 E N 0.005 120.015 120.200 -0.317 0.000 2.335 254 E HA 0.572 4.922 4.350 -0.000 0.000 0.280 254 E C -0.807 175.423 176.600 -0.617 0.000 0.918 254 E CA -0.975 55.163 56.400 -0.437 0.000 0.765 254 E CB 1.701 31.228 29.700 -0.288 0.000 1.218 254 E HN 0.470 nan 8.360 nan 0.000 0.425 255 K N 0.941 120.707 120.400 -1.057 0.000 1.673 255 K HA -0.366 3.954 4.320 -0.000 0.000 0.127 255 K C 0.661 176.729 176.600 -0.886 0.000 1.035 255 K CA 2.244 57.724 56.287 -1.345 0.000 0.314 255 K CB -0.766 31.344 32.500 -0.649 0.000 0.670 255 K HN 0.653 nan 8.250 nan 0.000 0.842 256 R N 0.659 120.881 120.500 -0.464 0.000 2.359 256 R HA 0.204 4.544 4.340 -0.000 0.000 0.231 256 R C -0.520 175.695 176.300 -0.141 0.000 0.913 256 R CA -0.049 55.933 56.100 -0.197 0.000 1.075 256 R CB 0.572 30.770 30.300 -0.171 0.000 1.087 256 R HN 0.051 nan 8.270 nan 0.000 0.515 257 V N 1.162 120.946 119.914 -0.217 0.000 2.628 257 V HA 0.431 4.551 4.120 -0.000 0.000 0.306 257 V C -0.225 175.774 176.094 -0.158 0.000 1.045 257 V CA -1.093 61.111 62.300 -0.160 0.000 0.905 257 V CB 1.990 33.716 31.823 -0.163 0.000 0.997 257 V HN -0.047 nan 8.190 nan 0.000 0.436 258 V N 1.630 121.474 119.914 -0.117 0.000 2.656 258 V HA 0.743 4.863 4.120 -0.000 0.000 0.307 258 V C -0.772 175.260 176.094 -0.103 0.000 1.051 258 V CA -0.795 61.444 62.300 -0.103 0.000 0.893 258 V CB 1.791 33.571 31.823 -0.072 0.000 0.999 258 V HN 0.900 nan 8.190 nan 0.000 0.426 259 K N 4.920 125.262 120.400 -0.095 0.000 2.450 259 K HA 0.626 4.946 4.320 -0.000 0.000 0.257 259 K C -0.860 175.679 176.600 -0.102 0.000 0.953 259 K CA -0.770 55.459 56.287 -0.098 0.000 0.844 259 K CB 1.580 34.032 32.500 -0.080 0.000 1.103 259 K HN 0.901 nan 8.250 nan 0.000 0.429 260 L N 2.987 124.113 121.223 -0.161 0.000 2.475 260 L HA 0.087 4.427 4.340 -0.000 0.000 0.253 260 L C 1.787 178.592 176.870 -0.109 0.000 1.198 260 L CA -0.643 54.088 54.840 -0.182 0.000 0.814 260 L CB 0.534 42.329 42.059 -0.439 0.000 1.134 260 L HN 0.685 nan 8.230 nan 0.000 0.478 261 Q N 1.158 120.913 119.800 -0.075 0.000 2.173 261 Q HA -0.218 4.121 4.340 -0.000 0.000 0.208 261 Q C 1.207 177.188 176.000 -0.031 0.000 0.989 261 Q CA 1.913 57.689 55.803 -0.046 0.000 0.872 261 Q CB -0.387 28.326 28.738 -0.042 0.000 0.909 261 Q HN 0.778 nan 8.270 nan 0.000 0.420 262 D N -1.898 118.489 120.400 -0.022 0.000 2.328 262 D HA 0.102 4.741 4.640 -0.000 0.000 0.226 262 D C 1.030 177.325 176.300 -0.007 0.000 1.066 262 D CA 0.757 54.761 54.000 0.008 0.000 0.861 262 D CB -0.055 40.783 40.800 0.063 0.000 0.912 262 D HN 0.285 nan 8.370 nan 0.000 0.521 263 G N -0.480 108.296 108.800 -0.039 0.000 2.175 263 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 263 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 263 G C 0.443 175.316 174.900 -0.046 0.000 0.982 263 G CA 0.169 45.247 45.100 -0.037 0.000 0.641 263 G HN 0.440 nan 8.290 nan 0.000 0.527 264 T N 1.732 116.246 114.554 -0.067 0.000 2.871 264 T HA 0.407 4.757 4.350 -0.000 0.000 0.296 264 T C 0.651 175.285 174.700 -0.109 0.000 0.998 264 T CA 0.410 62.464 62.100 -0.077 0.000 1.162 264 T CB 0.814 69.599 68.868 -0.139 0.000 0.947 264 T HN 0.348 nan 8.240 nan 0.000 0.536 265 L N 4.964 126.151 121.223 -0.059 0.000 2.272 265 L HA 0.594 4.934 4.340 -0.000 0.000 0.289 265 L C -0.137 176.701 176.870 -0.053 0.000 1.032 265 L CA -0.531 54.274 54.840 -0.059 0.000 0.810 265 L CB 0.724 42.767 42.059 -0.028 0.000 1.205 265 L HN 0.428 nan 8.230 nan 0.000 0.422 266 L N 2.885 124.062 121.223 -0.078 0.000 2.322 266 L HA 0.536 4.876 4.340 -0.000 0.000 0.252 266 L C -0.862 175.962 176.870 -0.077 0.000 1.055 266 L CA -0.854 53.944 54.840 -0.069 0.000 0.849 266 L CB 2.498 44.506 42.059 -0.085 0.000 1.446 266 L HN 0.490 nan 8.230 nan 0.000 0.416 267 N N -0.460 118.186 118.700 -0.091 0.000 2.404 267 N HA 0.730 5.470 4.740 -0.000 0.000 0.297 267 N C -1.388 174.040 175.510 -0.137 0.000 1.163 267 N CA -0.886 52.106 53.050 -0.097 0.000 0.864 267 N CB 1.762 40.194 38.487 -0.091 0.000 1.247 267 N HN 0.469 nan 8.380 nan 0.000 0.510 268 R N -0.455 119.983 120.500 -0.103 0.000 2.888 268 R HA 0.499 4.839 4.340 -0.000 0.000 0.264 268 R C -1.355 174.903 176.300 -0.071 0.000 1.045 268 R CA -0.822 55.206 56.100 -0.119 0.000 0.962 268 R CB 0.566 30.858 30.300 -0.014 0.000 1.210 268 R HN 0.341 nan 8.270 nan 0.000 0.479 269 Y N 0.566 120.908 120.300 0.070 0.000 2.309 269 Y HA 0.282 4.832 4.550 -0.000 0.000 0.327 269 Y C -0.154 175.845 175.900 0.164 0.000 1.172 269 Y CA 0.185 58.343 58.100 0.096 0.000 1.280 269 Y CB 0.971 39.367 38.460 -0.106 0.000 1.234 269 Y HN 0.439 nan 8.280 nan 0.000 0.512 270 W N 4.592 125.947 121.300 0.091 0.000 3.372 270 W HA 0.247 4.907 4.660 -0.000 0.000 0.315 270 W C -2.127 174.383 176.519 -0.016 0.000 1.223 270 W CA -0.718 56.621 57.345 -0.010 0.000 1.202 270 W CB 2.242 31.659 29.460 -0.072 0.000 1.367 270 W HN 0.514 nan 8.180 nan 0.000 0.531 271 D N 2.849 122.864 120.400 -0.643 0.000 2.362 271 D HA 0.146 4.786 4.640 -0.000 0.000 0.247 271 D C 0.273 176.126 176.300 -0.746 0.000 1.050 271 D CA -0.140 53.582 54.000 -0.463 0.000 0.839 271 D CB 1.885 42.518 40.800 -0.278 0.000 1.283 271 D HN 0.306 nan 8.370 nan 0.000 0.477 272 D N 1.863 122.094 120.400 -0.281 0.000 2.371 272 D HA 0.017 4.657 4.640 -0.000 0.000 0.221 272 D C 0.440 176.675 176.300 -0.109 0.000 0.986 272 D CA 0.649 54.589 54.000 -0.100 0.000 0.899 272 D CB 0.474 41.309 40.800 0.060 0.000 0.902 272 D HN 0.205 nan 8.370 nan 0.000 0.530 273 R N 0.445 120.856 120.500 -0.149 0.000 2.758 273 R HA 0.292 4.632 4.340 -0.000 0.000 0.265 273 R C -0.332 175.901 176.300 -0.111 0.000 1.016 273 R CA -0.568 55.484 56.100 -0.080 0.000 1.040 273 R CB 1.021 31.304 30.300 -0.028 0.000 1.152 273 R HN -0.106 nan 8.270 nan 0.000 0.503 274 D N -0.557 119.821 120.400 -0.037 0.000 2.908 274 D HA 0.072 4.712 4.640 -0.000 0.000 0.361 274 D C -0.700 175.660 176.300 0.100 0.000 1.416 274 D CA -0.411 53.599 54.000 0.018 0.000 0.796 274 D CB 0.401 41.213 40.800 0.020 0.000 1.185 274 D HN 0.511 nan 8.370 nan 0.000 0.451 275 T N -4.119 110.408 114.554 -0.044 0.000 2.887 275 T HA 0.687 5.037 4.350 -0.000 0.000 0.292 275 T C -3.060 171.247 174.700 -0.655 0.000 1.087 275 T CA -2.295 59.590 62.100 -0.358 0.000 1.009 275 T CB 1.786 70.564 68.868 -0.150 0.000 1.203 275 T HN -0.292 nan 8.240 nan 0.000 0.518 276 P HA 0.217 nan 4.420 nan 0.000 0.268 276 P C -0.366 176.823 177.300 -0.184 0.000 1.208 276 P CA -0.336 62.256 63.100 -0.847 0.000 0.777 276 P CB 0.309 31.215 31.700 -1.323 0.000 0.875 277 R N 4.325 124.837 120.500 0.020 0.000 2.401 277 R HA 0.079 4.419 4.340 -0.000 0.000 0.299 277 R C -1.512 174.982 176.300 0.323 0.000 1.064 277 R CA -1.106 55.099 56.100 0.174 0.000 1.000 277 R CB -0.295 30.127 30.300 0.203 0.000 0.973 277 R HN 0.421 nan 8.270 nan 0.000 0.438 278 P HA -0.236 nan 4.420 nan 0.000 0.216 278 P C 0.856 178.303 177.300 0.244 0.000 1.150 278 P CA 1.227 64.532 63.100 0.343 0.000 0.837 278 P CB 0.216 31.813 31.700 -0.171 0.000 0.786 279 E N -0.855 119.294 120.200 -0.085 0.000 2.481 279 E HA 0.016 4.365 4.350 -0.000 0.000 0.195 279 E C 0.140 176.817 176.600 0.129 0.000 1.047 279 E CA 0.840 57.172 56.400 -0.114 0.000 0.867 279 E CB -0.407 29.102 29.700 -0.319 0.000 0.858 279 E HN 0.102 nan 8.360 nan 0.000 0.513 280 S N 0.797 116.630 115.700 0.222 0.000 2.794 280 S HA 0.112 4.582 4.470 -0.000 0.000 0.244 280 S C 0.302 175.061 174.600 0.264 0.000 1.045 280 S CA -0.827 57.524 58.200 0.252 0.000 1.114 280 S CB -0.461 62.907 63.200 0.280 0.000 1.085 280 S HN 0.342 nan 8.310 nan 0.000 0.488 281 W N 1.728 123.086 121.300 0.096 0.000 2.315 281 W HA -0.220 4.440 4.660 -0.000 0.000 0.323 281 W C 1.271 177.831 176.519 0.068 0.000 1.233 281 W CA 1.570 58.966 57.345 0.085 0.000 1.267 281 W CB -0.405 29.105 29.460 0.085 0.000 1.160 281 W HN 0.226 nan 8.180 nan 0.000 0.474 282 V N 1.165 121.218 119.914 0.231 0.000 2.515 282 V HA -0.269 3.850 4.120 -0.000 0.000 0.250 282 V C 2.059 178.189 176.094 0.060 0.000 1.058 282 V CA 2.309 64.678 62.300 0.115 0.000 1.064 282 V CB -0.739 31.172 31.823 0.147 0.000 0.675 282 V HN 0.087 nan 8.190 nan 0.000 0.461 283 E N 0.069 120.329 120.200 0.101 0.000 2.072 283 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 283 E C 1.945 178.589 176.600 0.073 0.000 0.985 283 E CA 1.437 57.898 56.400 0.101 0.000 0.801 283 E CB -0.259 29.536 29.700 0.159 0.000 0.750 283 E HN 0.548 nan 8.360 nan 0.000 0.452 284 D N 0.239 120.681 120.400 0.070 0.000 2.117 284 D HA -0.088 4.552 4.640 -0.000 0.000 0.198 284 D C 1.951 178.336 176.300 0.143 0.000 0.982 284 D CA 0.727 54.789 54.000 0.104 0.000 0.828 284 D CB -0.190 40.664 40.800 0.089 0.000 0.967 284 D HN 0.152 nan 8.370 nan 0.000 0.464 285 I N 1.154 121.715 120.570 -0.015 0.000 2.151 285 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 285 I C 2.398 178.530 176.117 0.024 0.000 1.080 285 I CA 1.280 62.581 61.300 0.001 0.000 1.339 285 I CB -0.239 37.659 38.000 -0.170 0.000 1.039 285 I HN -0.054 nan 8.210 nan 0.000 0.409 286 A N 0.058 122.885 122.820 0.012 0.000 1.930 286 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 286 A C 2.367 179.948 177.584 -0.006 0.000 1.175 286 A CA 2.225 54.268 52.037 0.009 0.000 0.627 286 A CB -0.978 18.034 19.000 0.020 0.000 0.815 286 A HN 0.382 nan 8.150 nan 0.000 0.443 287 T N 0.290 114.839 114.554 -0.007 0.000 2.708 287 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 287 T C 2.222 176.871 174.700 -0.085 0.000 1.037 287 T CA 1.673 63.745 62.100 -0.047 0.000 1.146 287 T CB -0.401 68.426 68.868 -0.068 0.000 0.865 287 T HN 0.586 nan 8.240 nan 0.000 0.435 288 A N 1.312 124.067 122.820 -0.109 0.000 1.898 288 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 288 A C 2.208 179.714 177.584 -0.131 0.000 1.181 288 A CA 1.694 53.599 52.037 -0.219 0.000 0.620 288 A CB -0.499 18.214 19.000 -0.477 0.000 0.819 288 A HN 0.446 nan 8.150 nan 0.000 0.442 289 K N 0.591 120.950 120.400 -0.069 0.000 2.152 289 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 289 K C 1.997 178.573 176.600 -0.040 0.000 1.048 289 K CA 1.656 57.918 56.287 -0.041 0.000 0.933 289 K CB -0.179 32.312 32.500 -0.015 0.000 0.721 289 K HN 0.616 nan 8.250 nan 0.000 0.447 290 S N 0.076 115.751 115.700 -0.042 0.000 2.603 290 S HA -0.077 4.393 4.470 -0.000 0.000 0.229 290 S C 0.559 175.135 174.600 -0.040 0.000 0.972 290 S CA 0.406 58.586 58.200 -0.034 0.000 0.935 290 S CB -0.048 63.135 63.200 -0.028 0.000 0.769 290 S HN 0.225 nan 8.310 nan 0.000 0.536 291 N N 1.563 120.229 118.700 -0.057 0.000 2.750 291 N HA 0.343 5.083 4.740 -0.000 0.000 0.253 291 N C -2.335 173.139 175.510 -0.060 0.000 1.408 291 N CA -2.090 50.926 53.050 -0.056 0.000 0.780 291 N CB 1.438 39.884 38.487 -0.068 0.000 1.191 291 N HN 0.039 nan 8.380 nan 0.000 0.511 292 P HA 0.002 nan 4.420 nan 0.000 0.230 292 P C 0.302 177.580 177.300 -0.037 0.000 1.158 292 P CA 0.671 63.747 63.100 -0.040 0.000 0.769 292 P CB 0.485 32.170 31.700 -0.026 0.000 0.807 293 N N -0.272 118.407 118.700 -0.035 0.000 2.521 293 N HA -0.023 4.717 4.740 -0.000 0.000 0.188 293 N C 0.707 176.195 175.510 -0.036 0.000 1.146 293 N CA 0.444 53.476 53.050 -0.030 0.000 0.893 293 N CB -0.202 38.271 38.487 -0.024 0.000 0.975 293 N HN 0.225 nan 8.380 nan 0.000 0.451 294 R N 0.584 121.052 120.500 -0.052 0.000 2.599 294 R HA 0.367 4.707 4.340 -0.000 0.000 0.295 294 R C -2.628 173.624 176.300 -0.079 0.000 0.963 294 R CA -1.913 54.150 56.100 -0.062 0.000 0.883 294 R CB 1.456 31.710 30.300 -0.077 0.000 1.171 294 R HN -0.137 nan 8.270 nan 0.000 0.450 295 P HA -0.005 nan 4.420 nan 0.000 0.264 295 P C -0.147 177.066 177.300 -0.146 0.000 1.193 295 P CA 0.241 63.297 63.100 -0.075 0.000 0.763 295 P CB 1.023 32.697 31.700 -0.043 0.000 0.810 296 A N 3.725 126.434 122.820 -0.184 0.000 1.948 296 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 296 A C 2.026 179.299 177.584 -0.517 0.000 1.177 296 A CA 2.512 54.300 52.037 -0.416 0.000 0.636 296 A CB -1.875 16.941 19.000 -0.306 0.000 0.815 296 A HN 0.616 nan 8.150 nan 0.000 0.449 297 T N -2.065 112.402 114.554 -0.145 0.000 2.833 297 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 297 T C 1.585 176.258 174.700 -0.045 0.000 1.054 297 T CA 1.578 63.693 62.100 0.026 0.000 1.135 297 T CB -0.374 68.532 68.868 0.063 0.000 0.869 297 T HN 0.641 nan 8.240 nan 0.000 0.466 298 E N 0.803 120.947 120.200 -0.093 0.000 2.106 298 E HA 0.041 4.391 4.350 -0.000 0.000 0.192 298 E C 2.148 178.677 176.600 -0.119 0.000 0.984 298 E CA 0.989 57.343 56.400 -0.077 0.000 0.806 298 E CB -0.299 29.368 29.700 -0.054 0.000 0.750 298 E HN 0.553 nan 8.360 nan 0.000 0.458 299 I N 0.267 120.704 120.570 -0.222 0.000 2.252 299 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 299 I C 1.894 177.902 176.117 -0.181 0.000 1.102 299 I CA 1.015 62.169 61.300 -0.242 0.000 1.385 299 I CB -0.263 37.527 38.000 -0.351 0.000 1.064 299 I HN 0.137 nan 8.210 nan 0.000 0.414 300 Y N 0.660 120.915 120.300 -0.075 0.000 2.181 300 Y HA -0.253 4.297 4.550 -0.000 0.000 0.288 300 Y C 2.712 178.556 175.900 -0.093 0.000 1.146 300 Y CA 1.228 59.282 58.100 -0.076 0.000 1.164 300 Y CB -0.944 37.465 38.460 -0.084 0.000 0.982 300 Y HN 0.076 nan 8.280 nan 0.000 0.515 301 R N 0.754 121.261 120.500 0.011 0.000 2.083 301 R HA -0.144 4.196 4.340 -0.000 0.000 0.237 301 R C 1.661 177.879 176.300 -0.137 0.000 1.137 301 R CA 2.048 58.062 56.100 -0.143 0.000 0.951 301 R CB -0.541 29.631 30.300 -0.214 0.000 0.851 301 R HN 0.204 nan 8.270 nan 0.000 0.434 302 D N -0.061 120.291 120.400 -0.080 0.000 2.178 302 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 302 D C 1.913 178.205 176.300 -0.013 0.000 0.974 302 D CA 1.055 55.016 54.000 -0.065 0.000 0.841 302 D CB -0.043 40.730 40.800 -0.046 0.000 0.953 302 D HN 0.272 nan 8.370 nan 0.000 0.478 303 L N 0.381 121.634 121.223 0.050 0.000 2.017 303 L HA -0.134 4.205 4.340 -0.000 0.000 0.208 303 L C 2.616 179.616 176.870 0.217 0.000 1.073 303 L CA 1.191 56.159 54.840 0.214 0.000 0.745 303 L CB -0.229 41.949 42.059 0.198 0.000 0.894 303 L HN -0.087 nan 8.230 nan 0.000 0.432 304 R N -0.696 119.859 120.500 0.091 0.000 2.092 304 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 304 R C 2.444 178.717 176.300 -0.046 0.000 1.119 304 R CA 1.479 57.603 56.100 0.040 0.000 0.970 304 R CB -0.270 30.020 30.300 -0.015 0.000 0.864 304 R HN 0.249 nan 8.270 nan 0.000 0.440 305 S N 0.506 116.139 115.700 -0.112 0.000 2.406 305 S HA -0.045 4.425 4.470 -0.000 0.000 0.228 305 S C 1.967 176.398 174.600 -0.282 0.000 1.020 305 S CA 0.963 59.067 58.200 -0.159 0.000 0.965 305 S CB 0.074 63.187 63.200 -0.145 0.000 0.798 305 S HN 0.447 nan 8.310 nan 0.000 0.488 306 A N 1.656 124.306 122.820 -0.283 0.000 1.930 306 A HA 0.218 4.538 4.320 -0.000 0.000 0.217 306 A C 2.339 179.735 177.584 -0.312 0.000 1.175 306 A CA 1.431 53.219 52.037 -0.416 0.000 0.627 306 A CB -0.977 17.950 19.000 -0.122 0.000 0.815 306 A HN 0.485 nan 8.150 nan 0.000 0.443 307 A N 0.157 122.867 122.820 -0.183 0.000 1.908 307 A HA 0.083 4.403 4.320 -0.000 0.000 0.218 307 A C 2.489 179.938 177.584 -0.226 0.000 1.181 307 A CA 2.202 54.135 52.037 -0.173 0.000 0.627 307 A CB -1.045 17.950 19.000 -0.009 0.000 0.818 307 A HN 1.103 nan 8.150 nan 0.000 0.445 308 A N 0.206 122.893 122.820 -0.221 0.000 1.972 308 A HA -0.091 4.228 4.320 -0.000 0.000 0.219 308 A C 2.422 179.614 177.584 -0.655 0.000 1.169 308 A CA 2.228 54.125 52.037 -0.233 0.000 0.635 308 A CB -0.920 18.061 19.000 -0.032 0.000 0.810 308 A HN 1.115 nan 8.150 nan 0.000 0.446 309 S N -1.787 113.307 115.700 -1.010 0.000 2.515 309 S HA 0.277 4.747 4.470 -0.000 0.000 0.231 309 S C 1.695 175.679 174.600 -1.026 0.000 0.987 309 S CA 1.272 58.471 58.200 -1.668 0.000 0.936 309 S CB -0.489 62.046 63.200 -1.110 0.000 0.766 309 S HN 1.927 nan 8.310 nan 0.000 0.528 310 G N 0.201 108.566 108.800 -0.726 0.000 2.347 310 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.247 310 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.247 310 G C -0.085 174.402 174.900 -0.688 0.000 1.037 310 G CA 0.268 44.997 45.100 -0.619 0.000 0.622 310 G HN 0.564 nan 8.290 nan 0.000 0.521 311 W N 3.817 124.558 121.300 -0.932 0.000 1.603 311 W HA 0.506 5.166 4.660 -0.000 0.000 0.392 311 W C -0.075 176.226 176.519 -0.364 0.000 0.661 311 W CA -1.024 55.708 57.345 -1.021 0.000 2.021 311 W CB -0.069 29.203 29.460 -0.314 0.000 1.759 311 W HN 0.331 nan 8.180 nan 0.000 0.334 312 D N 0.605 120.782 120.400 -0.372 0.000 2.443 312 D HA 0.314 4.954 4.640 -0.000 0.000 0.221 312 D C -0.447 175.651 176.300 -0.336 0.000 1.097 312 D CA -0.254 53.298 54.000 -0.747 0.000 0.865 312 D CB 0.469 40.627 40.800 -1.070 0.000 1.034 312 D HN -0.050 nan 8.370 nan 0.000 0.511 313 F N 0.354 120.569 119.950 0.442 0.000 2.740 313 F HA 0.634 5.161 4.527 -0.000 0.000 0.357 313 F C 0.384 176.457 175.800 0.455 0.000 1.141 313 F CA -1.099 57.157 58.000 0.427 0.000 1.044 313 F CB 2.061 41.258 39.000 0.329 0.000 1.430 313 F HN 0.271 nan 8.300 nan 0.000 0.518 314 S N -1.119 114.954 115.700 0.623 0.000 2.542 314 S HA 0.308 4.778 4.470 -0.000 0.000 0.276 314 S C 0.359 175.088 174.600 0.215 0.000 1.148 314 S CA -0.063 58.362 58.200 0.376 0.000 0.886 314 S CB 1.095 64.489 63.200 0.323 0.000 1.109 314 S HN 0.815 nan 8.310 nan 0.000 0.458 315 S N 3.677 119.468 115.700 0.151 0.000 2.407 315 S HA -0.229 4.241 4.470 -0.000 0.000 0.235 315 S C 1.827 176.426 174.600 -0.002 0.000 1.036 315 S CA 1.479 59.729 58.200 0.084 0.000 1.013 315 S CB -0.626 62.614 63.200 0.067 0.000 0.820 315 S HN 0.795 nan 8.310 nan 0.000 0.476 316 R N 0.347 120.762 120.500 -0.142 0.000 2.133 316 R HA -0.157 4.183 4.340 -0.000 0.000 0.247 316 R C 1.474 177.573 176.300 -0.334 0.000 1.151 316 R CA 2.134 57.989 56.100 -0.409 0.000 0.971 316 R CB -0.324 29.452 30.300 -0.872 0.000 0.866 316 R HN 0.730 nan 8.270 nan 0.000 0.447 317 W N -0.718 120.638 121.300 0.093 0.000 3.107 317 W HA 0.282 4.942 4.660 -0.000 0.000 0.293 317 W C 0.095 176.647 176.519 0.055 0.000 1.239 317 W CA -0.953 56.432 57.345 0.067 0.000 1.653 317 W CB 0.334 29.855 29.460 0.101 0.000 1.068 317 W HN -0.109 nan 8.180 nan 0.000 0.615 318 M N 1.447 121.181 119.600 0.223 0.000 2.188 318 M HA 0.127 4.606 4.480 -0.000 0.000 0.357 318 M C 0.613 176.966 176.300 0.089 0.000 1.204 318 M CA -0.153 55.236 55.300 0.148 0.000 1.095 318 M CB 1.224 33.899 32.600 0.125 0.000 1.604 318 M HN -0.187 nan 8.290 nan 0.000 0.464 319 D N 1.225 121.663 120.400 0.065 0.000 2.219 319 D HA -0.069 4.570 4.640 -0.000 0.000 0.205 319 D C 0.156 176.474 176.300 0.031 0.000 0.970 319 D CA 1.431 55.453 54.000 0.038 0.000 0.851 319 D CB 0.104 40.918 40.800 0.023 0.000 0.943 319 D HN 0.446 nan 8.370 nan 0.000 0.488 320 N N -0.583 118.138 118.700 0.035 0.000 2.558 320 N HA 0.124 4.864 4.740 -0.000 0.000 0.285 320 N C -2.429 173.104 175.510 0.039 0.000 1.112 320 N CA -1.727 51.340 53.050 0.029 0.000 0.857 320 N CB 2.029 40.527 38.487 0.018 0.000 1.376 320 N HN -0.268 nan 8.380 nan 0.000 0.526 321 P HA -0.104 nan 4.420 nan 0.000 0.234 321 P C 0.740 178.072 177.300 0.053 0.000 1.167 321 P CA 0.842 63.978 63.100 0.059 0.000 0.763 321 P CB 0.571 32.304 31.700 0.056 0.000 0.835 322 Q N 0.299 120.122 119.800 0.038 0.000 2.398 322 Q HA -0.011 4.329 4.340 -0.000 0.000 0.204 322 Q C 0.484 176.498 176.000 0.024 0.000 0.932 322 Q CA 1.046 56.868 55.803 0.031 0.000 0.916 322 Q CB -0.024 28.728 28.738 0.023 0.000 1.024 322 Q HN 0.256 nan 8.270 nan 0.000 0.504 323 Q N 0.164 119.976 119.800 0.019 0.000 2.337 323 Q HA 0.222 4.562 4.340 -0.000 0.000 0.264 323 Q C -0.277 175.716 176.000 -0.012 0.000 1.007 323 Q CA -0.291 55.512 55.803 0.000 0.000 0.727 323 Q CB 1.611 30.346 28.738 -0.006 0.000 1.256 323 Q HN 0.186 nan 8.270 nan 0.000 0.467 324 L N 3.471 124.672 121.223 -0.037 0.000 2.261 324 L HA -0.202 4.138 4.340 -0.000 0.000 0.216 324 L C 1.517 178.318 176.870 -0.116 0.000 1.114 324 L CA 2.179 56.959 54.840 -0.101 0.000 0.777 324 L CB -0.263 41.677 42.059 -0.199 0.000 0.910 324 L HN 0.699 nan 8.230 nan 0.000 0.440 325 N N -1.766 116.881 118.700 -0.088 0.000 2.573 325 N HA -0.139 4.601 4.740 -0.000 0.000 0.187 325 N C 1.204 176.674 175.510 -0.067 0.000 1.107 325 N CA 1.200 54.194 53.050 -0.093 0.000 0.918 325 N CB -1.111 37.326 38.487 -0.083 0.000 0.966 325 N HN 0.516 nan 8.380 nan 0.000 0.448 326 T N -2.185 112.347 114.554 -0.037 0.000 3.163 326 T HA 0.181 4.530 4.350 -0.000 0.000 0.252 326 T C 0.720 175.430 174.700 0.017 0.000 1.056 326 T CA -0.841 61.252 62.100 -0.011 0.000 0.947 326 T CB -0.789 68.082 68.868 0.005 0.000 1.016 326 T HN 0.381 nan 8.240 nan 0.000 0.554 327 L N -0.423 120.809 121.223 0.015 0.000 2.439 327 L HA 0.598 4.938 4.340 -0.000 0.000 0.269 327 L C 0.363 177.270 176.870 0.061 0.000 1.179 327 L CA -0.837 54.052 54.840 0.082 0.000 0.828 327 L CB 0.670 42.793 42.059 0.107 0.000 1.106 327 L HN -0.114 nan 8.230 nan 0.000 0.467 328 R N 1.919 122.484 120.500 0.108 0.000 2.668 328 R HA 0.138 4.478 4.340 -0.000 0.000 0.435 328 R C 1.091 177.433 176.300 0.070 0.000 1.059 328 R CA 0.200 56.343 56.100 0.071 0.000 1.073 328 R CB 0.180 30.521 30.300 0.068 0.000 1.401 328 R HN 0.924 nan 8.270 nan 0.000 0.590 329 T N 0.683 115.240 114.554 0.006 0.000 2.624 329 T HA -0.256 4.093 4.350 -0.000 0.000 0.266 329 T C 1.911 176.565 174.700 -0.075 0.000 1.050 329 T CA 2.795 64.784 62.100 -0.185 0.000 1.163 329 T CB -0.312 68.286 68.868 -0.451 0.000 0.861 329 T HN 0.449 nan 8.240 nan 0.000 0.443 330 T N 0.325 114.883 114.554 0.007 0.000 3.113 330 T HA 0.046 4.396 4.350 -0.000 0.000 0.263 330 T C 1.762 176.520 174.700 0.097 0.000 1.143 330 T CA 0.942 63.111 62.100 0.114 0.000 1.090 330 T CB -0.395 68.633 68.868 0.267 0.000 0.922 330 T HN 0.527 nan 8.240 nan 0.000 0.521 331 S N 0.165 115.906 115.700 0.068 0.000 2.572 331 S HA 0.416 4.885 4.470 -0.000 0.000 0.228 331 S C 0.172 174.804 174.600 0.053 0.000 0.963 331 S CA -0.854 57.373 58.200 0.046 0.000 0.939 331 S CB -0.568 62.645 63.200 0.022 0.000 0.804 331 S HN 0.553 nan 8.310 nan 0.000 0.480 332 I N 1.751 122.378 120.570 0.095 0.000 2.436 332 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 332 I C -0.908 175.298 176.117 0.148 0.000 1.010 332 I CA -1.103 60.285 61.300 0.146 0.000 1.098 332 I CB 2.302 40.472 38.000 0.283 0.000 1.266 332 I HN -0.094 nan 8.210 nan 0.000 0.434 333 V N 8.323 128.332 119.914 0.158 0.000 2.368 333 V HA 0.257 4.377 4.120 -0.000 0.000 0.266 333 V C -2.262 173.899 176.094 0.112 0.000 1.045 333 V CA -1.565 60.807 62.300 0.120 0.000 0.899 333 V CB 0.620 32.541 31.823 0.164 0.000 1.006 333 V HN 0.531 nan 8.190 nan 0.000 0.470 334 P HA 0.198 nan 4.420 nan 0.000 0.285 334 P C 0.656 177.934 177.300 -0.038 0.000 1.259 334 P CA -0.106 63.023 63.100 0.048 0.000 0.794 334 P CB 1.764 33.508 31.700 0.072 0.000 0.940 335 V N 2.865 122.764 119.914 -0.025 0.000 2.719 335 V HA -0.171 3.949 4.120 -0.000 0.000 0.252 335 V C 1.351 177.388 176.094 -0.095 0.000 1.065 335 V CA 2.308 64.605 62.300 -0.005 0.000 1.086 335 V CB -0.870 31.013 31.823 0.101 0.000 0.700 335 V HN 0.545 nan 8.190 nan 0.000 0.467 336 D N 0.244 120.492 120.400 -0.253 0.000 2.084 336 D HA -0.224 4.416 4.640 -0.000 0.000 0.196 336 D C 2.037 178.069 176.300 -0.448 0.000 0.985 336 D CA 1.709 55.336 54.000 -0.623 0.000 0.826 336 D CB -1.008 38.985 40.800 -1.344 0.000 0.978 336 D HN 0.408 nan 8.370 nan 0.000 0.456 337 L N 0.997 122.004 121.223 -0.361 0.000 2.013 337 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 337 L C 1.615 178.280 176.870 -0.341 0.000 1.073 337 L CA 1.901 56.482 54.840 -0.433 0.000 0.753 337 L CB -1.006 40.607 42.059 -0.744 0.000 0.890 337 L HN 0.016 nan 8.230 nan 0.000 0.432 338 N N -1.093 117.471 118.700 -0.227 0.000 2.331 338 N HA -0.097 4.643 4.740 -0.000 0.000 0.180 338 N C 1.768 177.249 175.510 -0.047 0.000 1.019 338 N CA 1.244 54.216 53.050 -0.130 0.000 0.881 338 N CB 0.048 38.490 38.487 -0.075 0.000 0.972 338 N HN 0.399 nan 8.380 nan 0.000 0.435 339 S N 1.188 116.869 115.700 -0.033 0.000 2.383 339 S HA 0.067 4.537 4.470 -0.000 0.000 0.227 339 S C 2.122 176.775 174.600 0.089 0.000 1.026 339 S CA 0.495 58.738 58.200 0.071 0.000 0.981 339 S CB -0.025 63.274 63.200 0.166 0.000 0.818 339 S HN 0.243 nan 8.310 nan 0.000 0.472 340 L N 0.832 122.030 121.223 -0.042 0.000 2.141 340 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 340 L C 2.433 179.193 176.870 -0.184 0.000 1.094 340 L CA 0.708 55.450 54.840 -0.163 0.000 0.763 340 L CB -0.439 41.422 42.059 -0.331 0.000 0.908 340 L HN 0.316 nan 8.230 nan 0.000 0.437 341 M N -1.016 118.482 119.600 -0.171 0.000 2.132 341 M HA -0.207 4.273 4.480 -0.000 0.000 0.263 341 M C 2.347 178.649 176.300 0.004 0.000 1.065 341 M CA 1.660 56.897 55.300 -0.105 0.000 1.122 341 M CB -1.197 31.352 32.600 -0.086 0.000 1.365 341 M HN 0.175 nan 8.290 nan 0.000 0.411 342 F N 1.766 121.666 119.950 -0.083 0.000 2.043 342 F HA -0.295 4.232 4.527 -0.000 0.000 0.297 342 F C 2.464 178.207 175.800 -0.095 0.000 1.121 342 F CA 2.170 60.132 58.000 -0.063 0.000 1.199 342 F CB -0.460 38.511 39.000 -0.048 0.000 0.968 342 F HN 0.027 nan 8.300 nan 0.000 0.478 343 K N 0.479 120.788 120.400 -0.153 0.000 2.074 343 K HA -0.264 4.056 4.320 -0.000 0.000 0.209 343 K C 2.348 178.764 176.600 -0.308 0.000 1.048 343 K CA 2.146 58.268 56.287 -0.275 0.000 0.926 343 K CB -0.733 31.667 32.500 -0.167 0.000 0.713 343 K HN 0.516 nan 8.250 nan 0.000 0.444 344 M N 0.254 119.708 119.600 -0.244 0.000 2.080 344 M HA -0.245 4.235 4.480 -0.000 0.000 0.260 344 M C 1.670 177.755 176.300 -0.358 0.000 1.068 344 M CA 1.988 57.148 55.300 -0.235 0.000 1.109 344 M CB -0.150 32.371 32.600 -0.131 0.000 1.342 344 M HN 0.197 nan 8.290 nan 0.000 0.405 345 E N -0.089 119.886 120.200 -0.375 0.000 2.077 345 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 345 E C 2.001 178.363 176.600 -0.397 0.000 0.989 345 E CA 1.182 57.330 56.400 -0.420 0.000 0.800 345 E CB -0.007 29.548 29.700 -0.241 0.000 0.746 345 E HN 0.392 nan 8.360 nan 0.000 0.452 346 K N 0.495 120.608 120.400 -0.477 0.000 2.057 346 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 346 K C 2.131 178.551 176.600 -0.299 0.000 1.049 346 K CA 1.056 57.091 56.287 -0.419 0.000 0.931 346 K CB -0.299 31.870 32.500 -0.552 0.000 0.714 346 K HN 0.247 nan 8.250 nan 0.000 0.440 347 I N 0.884 121.273 120.570 -0.301 0.000 2.439 347 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 347 I C 2.271 178.229 176.117 -0.266 0.000 1.139 347 I CA 0.609 61.767 61.300 -0.237 0.000 1.438 347 I CB -0.192 37.683 38.000 -0.208 0.000 1.085 347 I HN 0.010 nan 8.210 nan 0.000 0.427 348 L N 0.540 121.516 121.223 -0.411 0.000 2.046 348 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 348 L C 2.850 179.453 176.870 -0.444 0.000 1.077 348 L CA 1.398 55.862 54.840 -0.626 0.000 0.747 348 L CB -0.641 40.645 42.059 -1.289 0.000 0.896 348 L HN 0.257 nan 8.230 nan 0.000 0.432 349 A N 0.141 122.806 122.820 -0.257 0.000 1.877 349 A HA -0.268 4.052 4.320 -0.000 0.000 0.216 349 A C 2.391 179.944 177.584 -0.051 0.000 1.186 349 A CA 1.955 53.975 52.037 -0.029 0.000 0.620 349 A CB -0.581 18.408 19.000 -0.018 0.000 0.822 349 A HN 0.379 nan 8.150 nan 0.000 0.443 350 R N -0.367 120.073 120.500 -0.100 0.000 2.081 350 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 350 R C 2.236 178.501 176.300 -0.059 0.000 1.131 350 R CA 1.579 57.635 56.100 -0.074 0.000 0.960 350 R CB -0.441 29.806 30.300 -0.089 0.000 0.856 350 R HN 0.411 nan 8.270 nan 0.000 0.436 351 A N -0.022 122.749 122.820 -0.082 0.000 1.898 351 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 351 A C 2.211 179.782 177.584 -0.022 0.000 1.181 351 A CA 1.784 53.788 52.037 -0.055 0.000 0.620 351 A CB -0.590 18.366 19.000 -0.074 0.000 0.819 351 A HN 0.433 nan 8.150 nan 0.000 0.442 352 S N -0.552 115.144 115.700 -0.006 0.000 2.353 352 S HA -0.170 4.300 4.470 -0.000 0.000 0.222 352 S C 2.181 176.801 174.600 0.032 0.000 1.035 352 S CA 1.660 59.892 58.200 0.053 0.000 1.025 352 S CB -0.295 62.995 63.200 0.150 0.000 0.902 352 S HN 0.598 nan 8.310 nan 0.000 0.440 353 K N 1.374 121.785 120.400 0.019 0.000 2.044 353 K HA -0.071 4.249 4.320 -0.000 0.000 0.210 353 K C 2.343 178.942 176.600 -0.002 0.000 1.049 353 K CA 1.297 57.588 56.287 0.006 0.000 0.927 353 K CB -1.128 31.370 32.500 -0.004 0.000 0.713 353 K HN 0.482 nan 8.250 nan 0.000 0.443 354 A N 0.011 122.826 122.820 -0.008 0.000 2.019 354 A HA 0.089 4.409 4.320 -0.000 0.000 0.219 354 A C 2.287 179.867 177.584 -0.007 0.000 1.164 354 A CA 1.902 53.932 52.037 -0.011 0.000 0.644 354 A CB -0.704 18.286 19.000 -0.016 0.000 0.805 354 A HN 0.645 nan 8.150 nan 0.000 0.449 355 A N -1.680 121.141 122.820 0.000 0.000 2.251 355 A HA 0.428 4.748 4.320 -0.000 0.000 0.209 355 A C 1.646 179.234 177.584 0.005 0.000 1.187 355 A CA 1.046 53.085 52.037 0.004 0.000 0.823 355 A CB -0.997 18.011 19.000 0.013 0.000 0.846 355 A HN 1.872 nan 8.150 nan 0.000 0.486 356 G N -0.086 108.716 108.800 0.004 0.000 2.160 356 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.244 356 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.244 356 G C -0.554 174.351 174.900 0.008 0.000 1.022 356 G CA 0.196 45.298 45.100 0.003 0.000 0.741 356 G HN 0.481 nan 8.290 nan 0.000 0.508 357 D N 0.090 120.500 120.400 0.016 0.000 2.479 357 D HA 0.274 4.914 4.640 -0.000 0.000 0.247 357 D C 1.191 177.503 176.300 0.021 0.000 1.119 357 D CA -0.527 53.486 54.000 0.021 0.000 0.922 357 D CB 0.318 41.139 40.800 0.034 0.000 1.014 357 D HN 0.378 nan 8.370 nan 0.000 0.510 358 N N 0.853 119.559 118.700 0.011 0.000 2.216 358 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 358 N C 1.893 177.406 175.510 0.005 0.000 1.017 358 N CA 0.775 53.830 53.050 0.008 0.000 0.861 358 N CB 0.274 38.762 38.487 0.002 0.000 0.986 358 N HN 0.296 nan 8.380 nan 0.000 0.428 359 A N 0.923 123.743 122.820 -0.001 0.000 1.930 359 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 359 A C 2.133 179.701 177.584 -0.026 0.000 1.175 359 A CA 1.050 53.079 52.037 -0.013 0.000 0.627 359 A CB -0.504 18.486 19.000 -0.016 0.000 0.815 359 A HN 0.286 nan 8.150 nan 0.000 0.443 360 M N -0.446 119.146 119.600 -0.013 0.000 2.132 360 M HA -0.053 4.426 4.480 -0.000 0.000 0.263 360 M C 2.274 178.578 176.300 0.008 0.000 1.065 360 M CA 1.459 56.739 55.300 -0.034 0.000 1.122 360 M CB -0.233 32.385 32.600 0.030 0.000 1.365 360 M HN 0.419 nan 8.290 nan 0.000 0.411 361 A N 1.020 123.884 122.820 0.074 0.000 1.892 361 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 361 A C 1.756 179.376 177.584 0.060 0.000 1.188 361 A CA 2.319 54.419 52.037 0.105 0.000 0.631 361 A CB -1.162 17.870 19.000 0.053 0.000 0.822 361 A HN 0.632 nan 8.150 nan 0.000 0.447 362 N N -0.278 118.429 118.700 0.011 0.000 2.223 362 N HA -0.134 4.606 4.740 -0.000 0.000 0.185 362 N C 1.819 177.313 175.510 -0.027 0.000 1.016 362 N CA 1.326 54.374 53.050 -0.004 0.000 0.863 362 N CB -0.364 38.117 38.487 -0.011 0.000 0.983 362 N HN 0.490 nan 8.380 nan 0.000 0.429 363 Q N -0.098 119.651 119.800 -0.085 0.000 2.084 363 Q HA -0.081 4.258 4.340 -0.000 0.000 0.202 363 Q C 1.805 177.710 176.000 -0.157 0.000 0.978 363 Q CA 1.165 56.874 55.803 -0.157 0.000 0.844 363 Q CB -0.594 27.980 28.738 -0.274 0.000 0.898 363 Q HN 0.501 nan 8.270 nan 0.000 0.426 364 Y N 1.590 121.863 120.300 -0.045 0.000 2.181 364 Y HA -0.148 4.402 4.550 -0.000 0.000 0.288 364 Y C 2.364 178.211 175.900 -0.090 0.000 1.146 364 Y CA 0.978 59.022 58.100 -0.092 0.000 1.164 364 Y CB -0.225 38.153 38.460 -0.136 0.000 0.982 364 Y HN 0.116 nan 8.280 nan 0.000 0.515 365 E N -0.392 119.852 120.200 0.074 0.000 2.070 365 E HA -0.180 4.169 4.350 -0.000 0.000 0.197 365 E C 2.178 178.800 176.600 0.038 0.000 1.004 365 E CA 1.918 58.334 56.400 0.026 0.000 0.805 365 E CB -0.757 28.953 29.700 0.016 0.000 0.744 365 E HN 0.426 nan 8.360 nan 0.000 0.451 366 T N 1.874 116.446 114.554 0.029 0.000 2.746 366 T HA -0.110 4.239 4.350 -0.000 0.000 0.267 366 T C 2.168 176.902 174.700 0.058 0.000 1.039 366 T CA 0.889 63.008 62.100 0.033 0.000 1.142 366 T CB -0.238 68.635 68.868 0.009 0.000 0.866 366 T HN 0.075 nan 8.240 nan 0.000 0.444 367 L N 0.657 121.920 121.223 0.067 0.000 2.056 367 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 367 L C 3.016 179.963 176.870 0.129 0.000 1.078 367 L CA 1.207 56.113 54.840 0.110 0.000 0.749 367 L CB -0.610 41.546 42.059 0.162 0.000 0.901 367 L HN 0.233 nan 8.230 nan 0.000 0.433 368 A N -0.035 122.842 122.820 0.096 0.000 1.972 368 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 368 A C 2.039 179.804 177.584 0.302 0.000 1.169 368 A CA 1.772 53.889 52.037 0.133 0.000 0.635 368 A CB -0.526 18.397 19.000 -0.128 0.000 0.810 368 A HN 0.424 nan 8.150 nan 0.000 0.446 369 N N 0.576 119.388 118.700 0.186 0.000 2.120 369 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 369 N C 1.858 177.442 175.510 0.124 0.000 1.024 369 N CA 1.628 54.774 53.050 0.159 0.000 0.852 369 N CB -0.594 37.949 38.487 0.094 0.000 1.003 369 N HN 0.457 nan 8.380 nan 0.000 0.424 370 A N 0.813 123.699 122.820 0.109 0.000 1.969 370 A HA -0.104 4.215 4.320 -0.000 0.000 0.218 370 A C 2.276 179.918 177.584 0.097 0.000 1.169 370 A CA 1.440 53.529 52.037 0.087 0.000 0.635 370 A CB -0.349 18.695 19.000 0.075 0.000 0.810 370 A HN 0.220 nan 8.150 nan 0.000 0.445 371 R N -0.110 120.477 120.500 0.145 0.000 2.073 371 R HA -0.112 4.228 4.340 -0.000 0.000 0.229 371 R C 2.292 178.633 176.300 0.069 0.000 1.120 371 R CA 1.919 58.105 56.100 0.144 0.000 0.967 371 R CB -0.577 29.870 30.300 0.245 0.000 0.862 371 R HN 0.644 nan 8.270 nan 0.000 0.436 372 Q N 0.368 120.193 119.800 0.040 0.000 2.084 372 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 372 Q C 1.602 177.562 176.000 -0.066 0.000 0.978 372 Q CA 1.867 57.569 55.803 -0.170 0.000 0.844 372 Q CB 0.038 28.652 28.738 -0.208 0.000 0.898 372 Q HN 0.332 nan 8.270 nan 0.000 0.426 373 K N -0.638 119.763 120.400 0.000 0.000 2.057 373 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 373 K C 2.031 178.656 176.600 0.041 0.000 1.049 373 K CA 1.093 57.386 56.287 0.010 0.000 0.931 373 K CB -0.286 32.230 32.500 0.026 0.000 0.714 373 K HN 0.373 nan 8.250 nan 0.000 0.440 374 G N 1.436 110.282 108.800 0.076 0.000 2.418 374 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 374 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 374 G C 1.505 176.495 174.900 0.149 0.000 1.158 374 G CA 0.621 45.812 45.100 0.151 0.000 0.771 374 G HN 0.123 nan 8.290 nan 0.000 0.545 375 I N 0.619 121.234 120.570 0.076 0.000 2.127 375 I HA -0.150 4.020 4.170 -0.000 0.000 0.241 375 I C 2.671 178.889 176.117 0.169 0.000 1.075 375 I CA 1.193 62.549 61.300 0.093 0.000 1.334 375 I CB -0.128 37.856 38.000 -0.026 0.000 1.040 375 I HN 0.095 nan 8.210 nan 0.000 0.405 376 E N 0.542 120.794 120.200 0.086 0.000 2.268 376 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 376 E C 1.949 178.568 176.600 0.032 0.000 0.995 376 E CA 1.001 57.436 56.400 0.059 0.000 0.836 376 E CB -0.085 29.581 29.700 -0.057 0.000 0.763 376 E HN 0.502 nan 8.360 nan 0.000 0.491 377 K N -0.593 119.793 120.400 -0.023 0.000 2.141 377 K HA -0.018 4.302 4.320 -0.000 0.000 0.202 377 K C 1.259 177.670 176.600 -0.315 0.000 1.045 377 K CA 0.490 56.644 56.287 -0.222 0.000 0.971 377 K CB 0.151 32.409 32.500 -0.404 0.000 0.795 377 K HN -0.010 nan 8.250 nan 0.000 0.459 378 Y N -0.026 120.287 120.300 0.021 0.000 2.449 378 Y HA 0.267 4.817 4.550 -0.000 0.000 0.254 378 Y C 0.881 176.858 175.900 0.128 0.000 1.140 378 Y CA 0.042 58.119 58.100 -0.038 0.000 1.272 378 Y CB 0.736 38.969 38.460 -0.377 0.000 1.114 378 Y HN -0.062 nan 8.280 nan 0.000 0.525 379 L N -0.582 120.827 121.223 0.310 0.000 3.014 379 L HA 0.174 4.513 4.340 -0.000 0.000 0.263 379 L C -0.422 176.730 176.870 0.470 0.000 1.207 379 L CA -0.053 55.001 54.840 0.357 0.000 1.017 379 L CB 0.647 42.886 42.059 0.300 0.000 1.360 379 L HN 0.244 nan 8.230 nan 0.000 0.560 380 W N 1.442 122.810 121.300 0.113 0.000 2.656 380 W HA 0.340 4.999 4.660 -0.000 0.000 0.327 380 W C -1.209 175.249 176.519 -0.103 0.000 1.041 380 W CA -0.623 56.664 57.345 -0.096 0.000 1.229 380 W CB 1.589 30.910 29.460 -0.231 0.000 1.397 380 W HN -0.123 nan 8.180 nan 0.000 0.479 381 N N 4.257 122.415 118.700 -0.904 0.000 2.527 381 N HA 0.012 4.752 4.740 -0.000 0.000 0.236 381 N C 0.231 175.015 175.510 -1.209 0.000 0.999 381 N CA 0.309 52.878 53.050 -0.802 0.000 0.935 381 N CB 1.034 39.128 38.487 -0.655 0.000 1.132 381 N HN 0.540 nan 8.380 nan 0.000 0.511 382 D N 2.177 122.136 120.400 -0.734 0.000 2.224 382 D HA -0.130 4.510 4.640 -0.000 0.000 0.205 382 D C 1.511 177.588 176.300 -0.372 0.000 0.965 382 D CA 1.106 54.850 54.000 -0.426 0.000 0.852 382 D CB 0.509 41.339 40.800 0.050 0.000 0.947 382 D HN 0.529 nan 8.370 nan 0.000 0.494 383 Q N -0.319 119.256 119.800 -0.375 0.000 2.084 383 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 383 Q C 1.823 177.543 176.000 -0.466 0.000 0.978 383 Q CA 1.479 57.087 55.803 -0.325 0.000 0.844 383 Q CB 0.039 28.618 28.738 -0.264 0.000 0.898 383 Q HN 0.242 nan 8.270 nan 0.000 0.426 384 Q N -1.475 117.861 119.800 -0.774 0.000 2.302 384 Q HA 0.175 4.515 4.340 -0.000 0.000 0.202 384 Q C 0.774 176.098 176.000 -1.127 0.000 0.936 384 Q CA 0.984 56.074 55.803 -1.190 0.000 0.886 384 Q CB 0.484 27.929 28.738 -2.155 0.000 0.986 384 Q HN 0.512 nan 8.270 nan 0.000 0.487 385 G N 1.253 109.446 108.800 -1.012 0.000 2.248 385 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.252 385 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.252 385 G C -0.674 173.837 174.900 -0.648 0.000 1.085 385 G CA 0.335 45.031 45.100 -0.673 0.000 0.845 385 G HN 0.247 nan 8.290 nan 0.000 0.494 386 W N -2.304 118.327 121.300 -1.115 0.000 3.146 386 W HA 0.757 5.416 4.660 -0.000 0.000 0.319 386 W C -0.667 175.448 176.519 -0.673 0.000 1.258 386 W CA -3.165 53.781 57.345 -0.664 0.000 1.189 386 W CB 0.516 29.859 29.460 -0.194 0.000 1.412 386 W HN 0.106 nan 8.180 nan 0.000 0.567 387 Y N 1.975 122.485 120.300 0.351 0.000 2.379 387 Y HA 0.533 5.083 4.550 -0.000 0.000 0.337 387 Y C 0.871 176.934 175.900 0.272 0.000 1.238 387 Y CA 1.048 59.356 58.100 0.347 0.000 1.405 387 Y CB 0.926 39.600 38.460 0.357 0.000 1.310 387 Y HN 0.788 nan 8.280 nan 0.000 0.569 388 A N 1.269 124.303 122.820 0.357 0.000 2.586 388 A HA 0.458 4.778 4.320 -0.000 0.000 0.290 388 A C -1.505 176.193 177.584 0.190 0.000 1.086 388 A CA -1.098 51.077 52.037 0.230 0.000 0.665 388 A CB 0.929 20.054 19.000 0.209 0.000 1.279 388 A HN 0.577 nan 8.150 nan 0.000 0.423 389 D N -0.157 120.310 120.400 0.113 0.000 2.357 389 D HA 0.371 5.011 4.640 -0.000 0.000 0.242 389 D C -0.967 175.448 176.300 0.191 0.000 1.153 389 D CA 0.870 54.945 54.000 0.126 0.000 0.918 389 D CB 0.603 41.442 40.800 0.064 0.000 1.181 389 D HN 0.447 nan 8.370 nan 0.000 0.435 390 Y N 0.519 120.870 120.300 0.085 0.000 2.360 390 Y HA 0.171 4.721 4.550 -0.000 0.000 0.337 390 Y C -0.454 175.480 175.900 0.057 0.000 1.039 390 Y CA -0.740 57.413 58.100 0.088 0.000 1.109 390 Y CB 1.276 39.803 38.460 0.112 0.000 1.201 390 Y HN 0.117 nan 8.280 nan 0.000 0.458 391 D N 6.291 126.362 120.400 -0.547 0.000 2.359 391 D HA 0.150 4.790 4.640 -0.000 0.000 0.230 391 D C 0.553 176.537 176.300 -0.527 0.000 1.118 391 D CA 0.038 53.808 54.000 -0.383 0.000 0.844 391 D CB 1.124 41.752 40.800 -0.287 0.000 1.059 391 D HN 0.867 nan 8.370 nan 0.000 0.493 392 L N 3.445 124.521 121.223 -0.245 0.000 2.291 392 L HA -0.053 4.287 4.340 -0.000 0.000 0.214 392 L C 2.390 178.995 176.870 -0.442 0.000 1.120 392 L CA 0.649 55.370 54.840 -0.197 0.000 0.799 392 L CB -0.025 42.021 42.059 -0.021 0.000 0.925 392 L HN 0.354 nan 8.230 nan 0.000 0.446 393 K N 0.114 120.298 120.400 -0.360 0.000 2.076 393 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 393 K C 2.183 178.506 176.600 -0.460 0.000 1.051 393 K CA 1.510 57.591 56.287 -0.344 0.000 0.949 393 K CB 0.157 32.559 32.500 -0.164 0.000 0.726 393 K HN 0.302 nan 8.250 nan 0.000 0.443 394 S N -0.672 114.795 115.700 -0.389 0.000 2.535 394 S HA -0.002 4.468 4.470 -0.000 0.000 0.214 394 S C -0.057 174.420 174.600 -0.204 0.000 0.980 394 S CA -0.216 57.840 58.200 -0.240 0.000 0.907 394 S CB -0.242 62.869 63.200 -0.149 0.000 0.790 394 S HN 0.377 nan 8.310 nan 0.000 0.510 395 H N 0.791 119.752 119.070 -0.181 0.000 2.770 395 H HA -0.090 4.466 4.556 -0.000 0.000 0.309 395 H C -0.503 174.749 175.328 -0.125 0.000 1.206 395 H CA 1.230 57.199 56.048 -0.133 0.000 1.147 395 H CB -1.997 27.810 29.762 0.075 0.000 1.422 395 H HN 0.586 nan 8.280 nan 0.000 0.420 396 K N -0.183 120.003 120.400 -0.355 0.000 2.508 396 K HA 0.513 4.833 4.320 -0.000 0.000 0.260 396 K C -0.245 176.239 176.600 -0.192 0.000 0.949 396 K CA -0.839 55.390 56.287 -0.098 0.000 0.834 396 K CB 3.415 35.883 32.500 -0.054 0.000 1.365 396 K HN 0.001 nan 8.250 nan 0.000 0.437 397 V N 2.935 122.937 119.914 0.147 0.000 2.655 397 V HA 0.120 4.240 4.120 -0.000 0.000 0.300 397 V C 0.026 176.134 176.094 0.023 0.000 1.044 397 V CA 0.187 62.589 62.300 0.171 0.000 1.095 397 V CB 0.353 32.287 31.823 0.185 0.000 0.952 397 V HN 0.591 nan 8.190 nan 0.000 0.485 398 R N 4.839 125.357 120.500 0.029 0.000 2.707 398 R HA 0.220 4.560 4.340 -0.000 0.000 0.270 398 R C 0.841 177.164 176.300 0.038 0.000 1.083 398 R CA -0.389 55.719 56.100 0.013 0.000 1.182 398 R CB 0.241 30.551 30.300 0.017 0.000 1.084 398 R HN 0.773 nan 8.270 nan 0.000 0.528 399 N N 0.800 119.528 118.700 0.047 0.000 2.368 399 N HA -0.107 4.633 4.740 -0.000 0.000 0.176 399 N C 0.287 175.964 175.510 0.279 0.000 1.021 399 N CA 0.452 53.572 53.050 0.118 0.000 0.888 399 N CB 0.188 38.709 38.487 0.058 0.000 0.995 399 N HN 0.498 nan 8.380 nan 0.000 0.437 400 Q N 1.527 121.403 119.800 0.127 0.000 2.263 400 Q HA 0.013 4.353 4.340 -0.000 0.000 0.289 400 Q C -0.719 175.268 176.000 -0.023 0.000 1.061 400 Q CA -0.088 55.740 55.803 0.042 0.000 0.927 400 Q CB 0.404 29.131 28.738 -0.019 0.000 1.154 400 Q HN 0.061 nan 8.270 nan 0.000 0.378 401 L N 5.352 126.401 121.223 -0.289 0.000 2.264 401 L HA 0.455 4.795 4.340 -0.000 0.000 0.289 401 L C -0.483 176.208 176.870 -0.300 0.000 1.044 401 L CA 0.336 54.805 54.840 -0.618 0.000 0.807 401 L CB 1.263 42.446 42.059 -1.460 0.000 1.192 401 L HN 0.818 nan 8.230 nan 0.000 0.425 402 T N 1.425 115.899 114.554 -0.133 0.000 2.888 402 T HA 0.684 5.034 4.350 -0.000 0.000 0.288 402 T C 0.967 175.762 174.700 0.159 0.000 1.063 402 T CA -0.252 61.887 62.100 0.065 0.000 1.010 402 T CB 1.344 70.315 68.868 0.173 0.000 1.214 402 T HN 0.623 nan 8.240 nan 0.000 0.533 403 A N 0.214 123.236 122.820 0.336 0.000 2.125 403 A HA 0.288 4.607 4.320 -0.000 0.000 0.219 403 A C 2.446 180.316 177.584 0.478 0.000 1.156 403 A CA 1.640 53.883 52.037 0.342 0.000 0.671 403 A CB -1.471 17.715 19.000 0.309 0.000 0.794 403 A HN 1.324 nan 8.150 nan 0.000 0.459 404 A N -0.182 122.937 122.820 0.500 0.000 2.070 404 A HA 0.167 4.487 4.320 -0.000 0.000 0.220 404 A C 2.281 180.088 177.584 0.373 0.000 1.159 404 A CA 1.636 53.909 52.037 0.393 0.000 0.656 404 A CB -0.691 18.235 19.000 -0.124 0.000 0.800 404 A HN 1.048 nan 8.150 nan 0.000 0.453 405 A N -0.803 122.180 122.820 0.272 0.000 2.121 405 A HA 0.112 4.432 4.320 -0.000 0.000 0.218 405 A C 1.738 179.496 177.584 0.290 0.000 1.154 405 A CA 0.960 53.174 52.037 0.294 0.000 0.679 405 A CB -0.275 18.877 19.000 0.254 0.000 0.795 405 A HN 0.377 nan 8.150 nan 0.000 0.458 406 L N -1.770 119.607 121.223 0.257 0.000 2.395 406 L HA 0.019 4.359 4.340 -0.000 0.000 0.218 406 L C 1.909 178.854 176.870 0.124 0.000 1.130 406 L CA 1.103 56.032 54.840 0.147 0.000 0.826 406 L CB -1.562 40.533 42.059 0.060 0.000 0.941 406 L HN 0.406 nan 8.230 nan 0.000 0.451 407 F N 1.170 121.174 119.950 0.091 0.000 2.161 407 F HA -0.116 4.410 4.527 -0.000 0.000 0.300 407 F C -0.126 175.703 175.800 0.048 0.000 1.089 407 F CA 1.562 59.643 58.000 0.135 0.000 1.282 407 F CB -1.751 37.329 39.000 0.134 0.000 1.010 407 F HN 0.177 nan 8.300 nan 0.000 0.485 408 P HA -0.152 nan 4.420 nan 0.000 0.219 408 P C 1.594 178.810 177.300 -0.140 0.000 1.146 408 P CA 1.244 64.189 63.100 -0.258 0.000 0.808 408 P CB 0.017 31.163 31.700 -0.923 0.000 0.779 409 L N -2.549 118.626 121.223 -0.080 0.000 2.072 409 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 409 L C 2.449 179.456 176.870 0.229 0.000 1.079 409 L CA 1.513 56.369 54.840 0.027 0.000 0.752 409 L CB -1.659 40.365 42.059 -0.057 0.000 0.906 409 L HN -0.059 nan 8.230 nan 0.000 0.436 410 Y N 0.501 120.811 120.300 0.018 0.000 2.207 410 Y HA -0.185 4.365 4.550 -0.000 0.000 0.287 410 Y C 2.113 178.051 175.900 0.063 0.000 1.156 410 Y CA 1.654 59.750 58.100 -0.006 0.000 1.182 410 Y CB -0.156 38.216 38.460 -0.146 0.000 0.979 410 Y HN 0.061 nan 8.280 nan 0.000 0.521 411 V N -2.283 117.656 119.914 0.041 0.000 3.596 411 V HA 0.209 4.329 4.120 -0.000 0.000 0.289 411 V C 0.389 176.576 176.094 0.155 0.000 1.336 411 V CA 0.492 62.798 62.300 0.009 0.000 1.137 411 V CB -0.920 31.007 31.823 0.174 0.000 0.966 411 V HN 0.527 nan 8.190 nan 0.000 0.428 412 N N 0.372 119.170 118.700 0.162 0.000 2.735 412 N HA -0.233 4.507 4.740 -0.000 0.000 0.248 412 N C 0.924 176.543 175.510 0.182 0.000 1.083 412 N CA 1.127 54.307 53.050 0.216 0.000 0.703 412 N CB -1.158 37.389 38.487 0.101 0.000 1.005 412 N HN 0.853 nan 8.380 nan 0.000 0.550 413 A N -0.855 121.945 122.820 -0.033 0.000 2.044 413 A HA 0.474 4.794 4.320 -0.000 0.000 0.213 413 A C 1.219 178.675 177.584 -0.213 0.000 1.169 413 A CA 0.985 52.755 52.037 -0.445 0.000 0.724 413 A CB 0.245 18.692 19.000 -0.922 0.000 0.840 413 A HN 0.535 nan 8.150 nan 0.000 0.463 414 A N 0.511 123.274 122.820 -0.095 0.000 2.477 414 A HA 0.557 4.876 4.320 -0.000 0.000 0.246 414 A C 0.796 178.395 177.584 0.024 0.000 1.078 414 A CA 0.151 52.142 52.037 -0.076 0.000 0.770 414 A CB -0.313 18.553 19.000 -0.224 0.000 1.011 414 A HN 1.320 nan 8.150 nan 0.000 0.494 415 A N 2.288 125.084 122.820 -0.041 0.000 2.531 415 A HA 0.238 4.558 4.320 -0.000 0.000 0.236 415 A C 1.255 178.839 177.584 -0.000 0.000 1.062 415 A CA 0.343 52.360 52.037 -0.033 0.000 0.760 415 A CB 0.036 18.950 19.000 -0.144 0.000 0.995 415 A HN 0.939 nan 8.150 nan 0.000 0.501 416 K N 0.680 121.151 120.400 0.119 0.000 2.074 416 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 416 K C 1.391 178.014 176.600 0.039 0.000 1.048 416 K CA 1.975 58.370 56.287 0.179 0.000 0.926 416 K CB -0.145 32.452 32.500 0.162 0.000 0.713 416 K HN 0.937 nan 8.250 nan 0.000 0.444 417 D N 0.461 120.847 120.400 -0.023 0.000 2.178 417 D HA -0.174 4.465 4.640 -0.000 0.000 0.202 417 D C 1.671 177.919 176.300 -0.087 0.000 0.974 417 D CA 1.110 55.086 54.000 -0.040 0.000 0.841 417 D CB -0.331 40.438 40.800 -0.051 0.000 0.953 417 D HN 0.145 nan 8.370 nan 0.000 0.478 418 R N 0.403 120.773 120.500 -0.217 0.000 2.115 418 R HA 0.138 4.478 4.340 -0.000 0.000 0.226 418 R C 2.438 178.699 176.300 -0.065 0.000 1.100 418 R CA 1.098 56.992 56.100 -0.344 0.000 0.980 418 R CB -0.247 29.554 30.300 -0.831 0.000 0.875 418 R HN 0.262 nan 8.270 nan 0.000 0.445 419 A N 1.611 124.339 122.820 -0.153 0.000 1.898 419 A HA -0.150 4.169 4.320 -0.000 0.000 0.216 419 A C 1.678 179.235 177.584 -0.045 0.000 1.181 419 A CA 1.269 53.160 52.037 -0.244 0.000 0.620 419 A CB -0.328 18.183 19.000 -0.814 0.000 0.819 419 A HN 0.221 nan 8.150 nan 0.000 0.442 420 N N 0.221 118.927 118.700 0.009 0.000 2.120 420 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 420 N C 1.579 177.147 175.510 0.096 0.000 1.024 420 N CA 1.467 54.553 53.050 0.060 0.000 0.852 420 N CB -0.350 38.173 38.487 0.061 0.000 1.003 420 N HN 0.548 nan 8.380 nan 0.000 0.424 421 K N 0.039 120.514 120.400 0.126 0.000 2.097 421 K HA 0.002 4.322 4.320 -0.000 0.000 0.206 421 K C 1.854 178.601 176.600 0.245 0.000 1.049 421 K CA 0.835 57.244 56.287 0.203 0.000 0.933 421 K CB -0.027 32.657 32.500 0.308 0.000 0.717 421 K HN 0.071 nan 8.250 nan 0.000 0.442 422 M N 0.292 120.044 119.600 0.253 0.000 2.159 422 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 422 M C 2.332 178.733 176.300 0.167 0.000 1.063 422 M CA 1.337 56.792 55.300 0.258 0.000 1.110 422 M CB -1.075 31.687 32.600 0.271 0.000 1.374 422 M HN 0.151 nan 8.290 nan 0.000 0.411 423 A N -0.151 122.740 122.820 0.119 0.000 1.883 423 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 423 A C 2.320 179.959 177.584 0.091 0.000 1.186 423 A CA 2.497 54.587 52.037 0.089 0.000 0.624 423 A CB -1.226 17.817 19.000 0.072 0.000 0.822 423 A HN 0.483 nan 8.150 nan 0.000 0.444 424 T N 0.437 115.056 114.554 0.107 0.000 2.652 424 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 424 T C 2.231 177.007 174.700 0.127 0.000 1.039 424 T CA 1.891 64.054 62.100 0.104 0.000 1.153 424 T CB -0.591 68.345 68.868 0.114 0.000 0.863 424 T HN 0.634 nan 8.240 nan 0.000 0.428 425 A N 1.339 124.279 122.820 0.201 0.000 1.908 425 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 425 A C 2.563 180.229 177.584 0.138 0.000 1.181 425 A CA 2.196 54.386 52.037 0.255 0.000 0.627 425 A CB -1.372 17.844 19.000 0.360 0.000 0.818 425 A HN 0.493 nan 8.150 nan 0.000 0.445 426 T N 0.197 114.811 114.554 0.099 0.000 2.607 426 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 426 T C 2.443 177.168 174.700 0.042 0.000 1.049 426 T CA 2.944 65.079 62.100 0.059 0.000 1.162 426 T CB -0.562 68.338 68.868 0.054 0.000 0.863 426 T HN 0.716 nan 8.240 nan 0.000 0.424 427 K N 1.136 121.557 120.400 0.036 0.000 2.103 427 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 427 K C 2.447 179.039 176.600 -0.013 0.000 1.048 427 K CA 2.081 58.377 56.287 0.015 0.000 0.930 427 K CB -1.665 30.845 32.500 0.017 0.000 0.716 427 K HN 0.506 nan 8.250 nan 0.000 0.444 428 T N -0.488 114.038 114.554 -0.047 0.000 2.857 428 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 428 T C 1.548 176.084 174.700 -0.273 0.000 1.048 428 T CA 1.165 63.153 62.100 -0.186 0.000 1.139 428 T CB -0.137 68.556 68.868 -0.292 0.000 0.874 428 T HN 0.659 nan 8.240 nan 0.000 0.455 429 H N -0.785 118.270 119.070 -0.026 0.000 2.800 429 H HA 0.389 4.945 4.556 -0.000 0.000 0.257 429 H C 1.797 177.094 175.328 -0.052 0.000 0.967 429 H CA 0.424 56.435 56.048 -0.062 0.000 1.192 429 H CB 0.523 30.187 29.762 -0.164 0.000 1.441 429 H HN 0.245 nan 8.280 nan 0.000 0.461 430 L N 0.472 121.741 121.223 0.077 0.000 2.537 430 L HA 0.128 4.468 4.340 -0.000 0.000 0.224 430 L C 0.329 177.225 176.870 0.044 0.000 1.065 430 L CA -0.117 54.749 54.840 0.045 0.000 0.860 430 L CB 0.475 42.550 42.059 0.027 0.000 1.086 430 L HN -0.030 nan 8.230 nan 0.000 0.482 431 L N 1.721 122.969 121.223 0.043 0.000 2.418 431 L HA 0.187 4.527 4.340 -0.000 0.000 0.274 431 L C -0.163 176.764 176.870 0.094 0.000 1.135 431 L CA 0.815 55.689 54.840 0.057 0.000 0.870 431 L CB 0.052 42.130 42.059 0.032 0.000 1.154 431 L HN 0.092 nan 8.230 nan 0.000 0.462 432 Q N 5.498 125.380 119.800 0.137 0.000 2.552 432 Q HA 0.458 4.798 4.340 -0.000 0.000 0.289 432 Q C -2.038 174.071 176.000 0.181 0.000 1.097 432 Q CA -1.844 54.032 55.803 0.122 0.000 0.812 432 Q CB 1.037 29.816 28.738 0.068 0.000 1.460 432 Q HN 0.293 nan 8.270 nan 0.000 0.452 433 P HA -0.087 nan 4.420 nan 0.000 0.218 433 P C 0.620 177.824 177.300 -0.160 0.000 1.148 433 P CA 1.532 64.534 63.100 -0.165 0.000 0.822 433 P CB 0.255 31.868 31.700 -0.145 0.000 0.784 434 G N -2.282 106.518 108.800 0.001 0.000 3.502 434 G HA2 0.512 4.472 3.960 -0.000 0.000 0.267 434 G HA3 0.512 4.472 3.960 -0.000 0.000 0.267 434 G C 0.417 175.419 174.900 0.170 0.000 1.090 434 G CA 0.255 45.375 45.100 0.033 0.000 0.795 434 G HN 0.521 nan 8.290 nan 0.000 0.535 435 G N -0.466 108.480 108.800 0.242 0.000 2.315 435 G HA2 0.186 4.146 3.960 -0.000 0.000 0.296 435 G HA3 0.186 4.146 3.960 -0.000 0.000 0.296 435 G C -1.304 173.673 174.900 0.127 0.000 1.289 435 G CA -0.716 44.535 45.100 0.252 0.000 0.996 435 G HN 0.681 nan 8.290 nan 0.000 0.487 436 L N 1.254 122.496 121.223 0.032 0.000 2.361 436 L HA 0.512 4.852 4.340 -0.000 0.000 0.278 436 L C 0.572 177.437 176.870 -0.008 0.000 1.113 436 L CA -0.678 54.159 54.840 -0.005 0.000 0.849 436 L CB 0.473 42.497 42.059 -0.058 0.000 1.155 436 L HN 0.598 nan 8.230 nan 0.000 0.452 437 N N 2.699 121.409 118.700 0.017 0.000 2.492 437 N HA 0.044 4.784 4.740 -0.000 0.000 0.260 437 N C 0.865 176.388 175.510 0.022 0.000 1.215 437 N CA 0.324 53.383 53.050 0.014 0.000 0.923 437 N CB 1.402 39.904 38.487 0.025 0.000 1.092 437 N HN 0.715 nan 8.380 nan 0.000 0.448 438 T N 0.209 114.773 114.554 0.017 0.000 2.777 438 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 438 T C 0.825 175.600 174.700 0.125 0.000 1.040 438 T CA 1.667 63.787 62.100 0.033 0.000 1.141 438 T CB -0.079 68.767 68.868 -0.036 0.000 0.868 438 T HN 0.812 nan 8.240 nan 0.000 0.444 439 T N -2.173 112.438 114.554 0.095 0.000 2.647 439 T HA 0.463 4.813 4.350 -0.000 0.000 0.295 439 T C 0.192 174.911 174.700 0.032 0.000 1.126 439 T CA -0.730 61.418 62.100 0.080 0.000 1.040 439 T CB 1.655 70.587 68.868 0.108 0.000 1.472 439 T HN -0.201 nan 8.240 nan 0.000 0.500 440 S N -0.209 115.491 115.700 -0.000 0.000 2.568 440 S HA 0.395 4.865 4.470 -0.000 0.000 0.232 440 S C -0.083 174.528 174.600 0.018 0.000 0.975 440 S CA -0.362 57.842 58.200 0.006 0.000 0.949 440 S CB 0.016 63.208 63.200 -0.014 0.000 0.829 440 S HN 0.577 nan 8.310 nan 0.000 0.479 441 V N 2.599 122.531 119.914 0.029 0.000 2.347 441 V HA 0.319 4.439 4.120 -0.000 0.000 0.280 441 V C 0.222 176.345 176.094 0.048 0.000 1.021 441 V CA -0.755 61.567 62.300 0.037 0.000 0.847 441 V CB 1.404 33.250 31.823 0.039 0.000 0.990 441 V HN 0.138 nan 8.190 nan 0.000 0.444 442 K N 3.080 123.504 120.400 0.040 0.000 2.155 442 K HA 0.116 4.435 4.320 -0.000 0.000 0.240 442 K C 1.306 177.934 176.600 0.047 0.000 1.193 442 K CA 0.146 56.457 56.287 0.040 0.000 1.104 442 K CB 0.148 32.664 32.500 0.027 0.000 1.558 442 K HN 0.858 nan 8.250 nan 0.000 0.313 443 S N 1.256 116.995 115.700 0.066 0.000 2.496 443 S HA 0.071 4.540 4.470 -0.000 0.000 0.224 443 S C 1.416 176.061 174.600 0.075 0.000 0.996 443 S CA 0.475 58.719 58.200 0.074 0.000 0.927 443 S CB 0.067 63.327 63.200 0.100 0.000 0.774 443 S HN 0.765 nan 8.310 nan 0.000 0.524 444 G N 0.184 109.028 108.800 0.073 0.000 2.213 444 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.236 444 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.236 444 G C 0.041 175.005 174.900 0.108 0.000 0.991 444 G CA 0.077 45.220 45.100 0.072 0.000 0.629 444 G HN 0.515 nan 8.290 nan 0.000 0.517 445 Q N 0.119 120.010 119.800 0.153 0.000 2.256 445 Q HA 0.437 4.777 4.340 -0.000 0.000 0.232 445 Q C 1.449 177.588 176.000 0.232 0.000 0.965 445 Q CA -0.323 55.620 55.803 0.233 0.000 0.908 445 Q CB 0.577 29.500 28.738 0.308 0.000 1.209 445 Q HN 0.523 nan 8.270 nan 0.000 0.489 446 Q N 0.085 120.072 119.800 0.311 0.000 2.096 446 Q HA -0.082 4.258 4.340 -0.000 0.000 0.197 446 Q C -0.075 176.065 176.000 0.233 0.000 0.964 446 Q CA 1.043 57.020 55.803 0.291 0.000 0.838 446 Q CB 0.193 29.175 28.738 0.407 0.000 0.906 446 Q HN 0.499 nan 8.270 nan 0.000 0.444 447 W N 2.156 123.560 121.300 0.174 0.000 1.738 447 W HA 0.278 4.938 4.660 -0.000 0.000 0.399 447 W C -0.493 176.058 176.519 0.054 0.000 0.744 447 W CA -0.218 57.115 57.345 -0.019 0.000 1.695 447 W CB 0.389 29.659 29.460 -0.317 0.000 1.820 447 W HN -0.079 nan 8.180 nan 0.000 0.262 448 D N -0.451 120.053 120.400 0.173 0.000 2.710 448 D HA 0.310 4.950 4.640 -0.000 0.000 0.276 448 D C -0.632 175.710 176.300 0.070 0.000 1.267 448 D CA -0.718 53.365 54.000 0.138 0.000 0.772 448 D CB 1.322 42.212 40.800 0.150 0.000 1.299 448 D HN -0.007 nan 8.370 nan 0.000 0.421 449 A N 1.295 124.147 122.820 0.053 0.000 2.561 449 A HA 0.313 4.633 4.320 -0.000 0.000 0.234 449 A C -1.727 175.867 177.584 0.016 0.000 1.055 449 A CA -0.177 51.875 52.037 0.025 0.000 0.756 449 A CB -0.047 18.968 19.000 0.027 0.000 0.986 449 A HN 0.324 nan 8.150 nan 0.000 0.505 450 P HA 0.089 nan 4.420 nan 0.000 0.254 450 P C -0.653 176.610 177.300 -0.063 0.000 1.620 450 P CA -0.282 62.803 63.100 -0.024 0.000 1.050 450 P CB -0.026 31.657 31.700 -0.027 0.000 1.539 451 N N 0.809 119.456 118.700 -0.089 0.000 2.514 451 N HA 0.312 5.052 4.740 -0.000 0.000 0.277 451 N C 0.590 175.957 175.510 -0.240 0.000 1.126 451 N CA 0.256 53.171 53.050 -0.224 0.000 0.978 451 N CB 1.281 39.608 38.487 -0.267 0.000 1.106 451 N HN 0.067 nan 8.380 nan 0.000 0.461 452 G N 1.112 109.723 108.800 -0.315 0.000 2.478 452 G HA2 0.492 4.451 3.960 -0.000 0.000 0.317 452 G HA3 0.492 4.451 3.960 -0.000 0.000 0.317 452 G C -1.417 173.216 174.900 -0.445 0.000 1.259 452 G CA -0.573 44.396 45.100 -0.218 0.000 0.933 452 G HN 0.451 nan 8.290 nan 0.000 0.478 453 W N 2.081 123.092 121.300 -0.480 0.000 2.471 453 W HA 0.518 5.178 4.660 -0.000 0.000 0.318 453 W C 0.991 177.025 176.519 -0.808 0.000 1.034 453 W CA -0.242 56.705 57.345 -0.664 0.000 1.224 453 W CB 2.060 30.880 29.460 -1.067 0.000 1.335 453 W HN 0.783 nan 8.180 nan 0.000 0.452 454 A N 5.751 128.230 122.820 -0.569 0.000 1.906 454 A HA -0.281 4.039 4.320 -0.000 0.000 0.222 454 A C -0.111 176.983 177.584 -0.817 0.000 1.282 454 A CA 2.463 54.081 52.037 -0.698 0.000 0.675 454 A CB -1.958 16.862 19.000 -0.300 0.000 0.838 454 A HN 0.517 nan 8.150 nan 0.000 0.469 455 P HA -0.154 nan 4.420 nan 0.000 0.215 455 P C 1.556 178.410 177.300 -0.744 0.000 1.153 455 P CA 1.330 63.491 63.100 -1.564 0.000 0.853 455 P CB -0.281 30.138 31.700 -2.135 0.000 0.788 456 L N -0.799 120.153 121.223 -0.452 0.000 2.141 456 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 456 L C 2.906 179.633 176.870 -0.237 0.000 1.094 456 L CA 1.149 55.892 54.840 -0.162 0.000 0.763 456 L CB -1.030 41.031 42.059 0.004 0.000 0.908 456 L HN -0.030 nan 8.230 nan 0.000 0.437 457 Q N -0.541 119.029 119.800 -0.383 0.000 2.084 457 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 457 Q C 1.993 177.904 176.000 -0.148 0.000 0.978 457 Q CA 1.783 57.371 55.803 -0.358 0.000 0.844 457 Q CB -0.612 27.676 28.738 -0.750 0.000 0.898 457 Q HN 0.674 nan 8.270 nan 0.000 0.426 458 W N 1.089 122.211 121.300 -0.297 0.000 2.409 458 W HA -0.106 4.554 4.660 -0.000 0.000 0.299 458 W C 1.826 178.275 176.519 -0.117 0.000 1.203 458 W CA 0.874 58.151 57.345 -0.113 0.000 1.298 458 W CB 0.236 29.717 29.460 0.035 0.000 1.127 458 W HN -0.077 nan 8.180 nan 0.000 0.528 459 V N 1.778 121.512 119.914 -0.300 0.000 2.255 459 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 459 V C 2.695 178.510 176.094 -0.465 0.000 1.051 459 V CA 2.473 64.323 62.300 -0.751 0.000 1.018 459 V CB -1.584 29.653 31.823 -0.977 0.000 0.641 459 V HN 0.253 nan 8.190 nan 0.000 0.445 460 A N -0.437 122.209 122.820 -0.290 0.000 1.865 460 A HA -0.257 4.062 4.320 -0.000 0.000 0.217 460 A C 2.402 179.897 177.584 -0.149 0.000 1.191 460 A CA 2.706 54.649 52.037 -0.157 0.000 0.623 460 A CB -1.167 17.775 19.000 -0.096 0.000 0.826 460 A HN 0.506 nan 8.150 nan 0.000 0.444 461 T N -0.023 114.405 114.554 -0.209 0.000 2.652 461 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 461 T C 1.877 176.408 174.700 -0.283 0.000 1.039 461 T CA 1.622 63.588 62.100 -0.224 0.000 1.153 461 T CB -0.271 68.443 68.868 -0.255 0.000 0.863 461 T HN 0.479 nan 8.240 nan 0.000 0.428 462 E N 0.621 120.540 120.200 -0.468 0.000 2.047 462 E HA -0.024 4.325 4.350 -0.000 0.000 0.191 462 E C 2.615 179.197 176.600 -0.031 0.000 0.987 462 E CA 1.121 57.330 56.400 -0.319 0.000 0.799 462 E CB -0.908 28.595 29.700 -0.329 0.000 0.752 462 E HN 0.556 nan 8.360 nan 0.000 0.449 463 G N 1.558 110.394 108.800 0.060 0.000 2.476 463 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 463 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 463 G C 1.761 176.755 174.900 0.156 0.000 1.164 463 G CA 0.815 46.005 45.100 0.151 0.000 0.768 463 G HN 0.178 nan 8.290 nan 0.000 0.560 464 L N -0.105 121.158 121.223 0.067 0.000 2.093 464 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 464 L C 3.212 180.146 176.870 0.106 0.000 1.085 464 L CA 0.871 55.763 54.840 0.086 0.000 0.755 464 L CB -0.340 41.740 42.059 0.035 0.000 0.904 464 L HN 0.193 nan 8.230 nan 0.000 0.435 465 Q N -0.019 119.808 119.800 0.044 0.000 2.124 465 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 465 Q C 1.879 177.907 176.000 0.046 0.000 0.977 465 Q CA 1.142 56.964 55.803 0.032 0.000 0.850 465 Q CB -0.464 28.264 28.738 -0.017 0.000 0.901 465 Q HN 0.534 nan 8.270 nan 0.000 0.429 466 N N -0.082 118.659 118.700 0.069 0.000 2.430 466 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 466 N C 0.517 175.921 175.510 -0.177 0.000 1.032 466 N CA 1.054 54.087 53.050 -0.029 0.000 0.893 466 N CB -0.108 38.381 38.487 0.003 0.000 0.957 466 N HN 0.398 nan 8.380 nan 0.000 0.442 467 Y N -1.353 118.954 120.300 0.010 0.000 2.682 467 Y HA 0.343 4.893 4.550 -0.000 0.000 0.251 467 Y C 1.376 177.287 175.900 0.019 0.000 1.172 467 Y CA -0.248 57.862 58.100 0.017 0.000 1.186 467 Y CB 0.567 39.043 38.460 0.027 0.000 1.216 467 Y HN 0.007 nan 8.280 nan 0.000 0.540 468 G N 0.401 109.264 108.800 0.105 0.000 2.160 468 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.251 468 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.251 468 G C 0.243 175.192 174.900 0.081 0.000 1.008 468 G CA -0.168 44.975 45.100 0.071 0.000 0.724 468 G HN 0.280 nan 8.290 nan 0.000 0.514 469 Q N -0.061 119.799 119.800 0.099 0.000 3.207 469 Q HA 0.437 4.777 4.340 -0.000 0.000 0.335 469 Q C 1.813 177.847 176.000 0.057 0.000 1.374 469 Q CA 0.669 56.519 55.803 0.078 0.000 1.023 469 Q CB 0.333 29.122 28.738 0.084 0.000 1.576 469 Q HN 0.766 nan 8.270 nan 0.000 0.515 470 K N 0.815 121.247 120.400 0.053 0.000 2.097 470 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 470 K C 1.956 178.586 176.600 0.050 0.000 1.050 470 K CA 1.714 58.031 56.287 0.050 0.000 0.938 470 K CB -0.796 31.736 32.500 0.053 0.000 0.718 470 K HN 0.553 nan 8.250 nan 0.000 0.442 471 E N 0.548 120.773 120.200 0.043 0.000 2.038 471 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 471 E C 2.349 178.963 176.600 0.023 0.000 1.000 471 E CA 1.747 58.168 56.400 0.034 0.000 0.803 471 E CB -1.101 28.614 29.700 0.025 0.000 0.750 471 E HN 0.367 nan 8.360 nan 0.000 0.448 472 V N 1.037 120.961 119.914 0.017 0.000 2.427 472 V HA -0.089 4.031 4.120 -0.000 0.000 0.248 472 V C 2.941 179.031 176.094 -0.007 0.000 1.051 472 V CA 1.715 64.013 62.300 -0.002 0.000 1.048 472 V CB -0.878 30.952 31.823 0.010 0.000 0.666 472 V HN 0.678 nan 8.190 nan 0.000 0.456 473 A N -0.129 122.698 122.820 0.011 0.000 1.883 473 A HA -0.233 4.086 4.320 -0.000 0.000 0.217 473 A C 2.230 179.836 177.584 0.036 0.000 1.186 473 A CA 2.147 54.187 52.037 0.004 0.000 0.624 473 A CB -0.474 18.525 19.000 -0.001 0.000 0.822 473 A HN 0.403 nan 8.150 nan 0.000 0.444 474 M N -0.176 119.473 119.600 0.081 0.000 2.175 474 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 474 M C 1.410 177.842 176.300 0.220 0.000 1.063 474 M CA 1.264 56.678 55.300 0.190 0.000 1.119 474 M CB -1.503 31.245 32.600 0.245 0.000 1.377 474 M HN 0.341 nan 8.290 nan 0.000 0.415 475 D N 0.641 121.064 120.400 0.039 0.000 2.097 475 D HA -0.074 4.566 4.640 -0.000 0.000 0.195 475 D C 2.151 178.281 176.300 -0.283 0.000 0.989 475 D CA 1.100 54.984 54.000 -0.193 0.000 0.827 475 D CB -0.231 40.380 40.800 -0.316 0.000 0.966 475 D HN 0.337 nan 8.370 nan 0.000 0.456 476 I N 0.834 121.328 120.570 -0.126 0.000 2.151 476 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 476 I C 2.369 178.538 176.117 0.087 0.000 1.080 476 I CA 1.013 62.290 61.300 -0.037 0.000 1.339 476 I CB -0.199 37.783 38.000 -0.030 0.000 1.039 476 I HN -0.083 nan 8.210 nan 0.000 0.409 477 S N -0.395 115.365 115.700 0.100 0.000 2.356 477 S HA -0.197 4.272 4.470 -0.000 0.000 0.223 477 S C 1.603 176.271 174.600 0.114 0.000 1.032 477 S CA 1.339 59.608 58.200 0.116 0.000 1.005 477 S CB -0.447 62.787 63.200 0.056 0.000 0.867 477 S HN 0.430 nan 8.310 nan 0.000 0.449 478 W N 1.595 122.954 121.300 0.099 0.000 2.358 478 W HA -0.060 4.600 4.660 -0.000 0.000 0.303 478 W C 2.420 179.063 176.519 0.207 0.000 1.208 478 W CA 1.145 58.571 57.345 0.135 0.000 1.274 478 W CB -0.585 28.961 29.460 0.143 0.000 1.138 478 W HN 0.500 nan 8.180 nan 0.000 0.515 479 H N -2.226 117.006 119.070 0.269 0.000 2.299 479 H HA -0.188 4.367 4.556 -0.000 0.000 0.302 479 H C 2.050 177.441 175.328 0.106 0.000 1.078 479 H CA 1.412 57.556 56.048 0.160 0.000 1.323 479 H CB -0.637 29.204 29.762 0.131 0.000 1.381 479 H HN 0.070 nan 8.280 nan 0.000 0.498 480 F N 1.581 121.593 119.950 0.104 0.000 2.102 480 F HA -0.160 4.366 4.527 -0.000 0.000 0.298 480 F C 2.265 177.979 175.800 -0.142 0.000 1.105 480 F CA 0.988 58.952 58.000 -0.060 0.000 1.239 480 F CB -0.525 38.427 39.000 -0.080 0.000 0.991 480 F HN -0.016 nan 8.300 nan 0.000 0.474 481 L N -0.589 120.573 121.223 -0.102 0.000 2.042 481 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 481 L C 2.315 179.061 176.870 -0.207 0.000 1.076 481 L CA 1.906 56.613 54.840 -0.223 0.000 0.749 481 L CB -1.034 40.923 42.059 -0.170 0.000 0.893 481 L HN 0.145 nan 8.230 nan 0.000 0.432 482 T N -0.857 113.658 114.554 -0.065 0.000 2.833 482 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 482 T C 1.737 176.378 174.700 -0.098 0.000 1.054 482 T CA 1.279 63.370 62.100 -0.016 0.000 1.135 482 T CB -0.239 68.678 68.868 0.081 0.000 0.869 482 T HN 0.258 nan 8.240 nan 0.000 0.466 483 N N 0.916 119.484 118.700 -0.220 0.000 2.106 483 N HA -0.060 4.679 4.740 -0.000 0.000 0.188 483 N C 1.870 177.145 175.510 -0.392 0.000 1.029 483 N CA 0.854 53.739 53.050 -0.277 0.000 0.848 483 N CB -0.543 37.713 38.487 -0.386 0.000 1.007 483 N HN 0.182 nan 8.380 nan 0.000 0.423 484 V N 1.027 120.495 119.914 -0.745 0.000 2.343 484 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 484 V C 2.490 178.468 176.094 -0.192 0.000 1.051 484 V CA 1.791 63.692 62.300 -0.666 0.000 1.036 484 V CB -0.646 30.721 31.823 -0.761 0.000 0.654 484 V HN 0.349 nan 8.190 nan 0.000 0.451 485 Q N -0.067 119.649 119.800 -0.140 0.000 2.084 485 Q HA -0.255 4.084 4.340 -0.000 0.000 0.202 485 Q C 2.125 178.168 176.000 0.071 0.000 0.978 485 Q CA 2.411 58.211 55.803 -0.004 0.000 0.844 485 Q CB -0.491 28.243 28.738 -0.006 0.000 0.898 485 Q HN 0.838 nan 8.270 nan 0.000 0.426 486 H N -1.138 117.914 119.070 -0.030 0.000 2.319 486 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 486 H C 1.699 177.026 175.328 -0.001 0.000 1.092 486 H CA 2.354 58.393 56.048 -0.015 0.000 1.302 486 H CB -0.286 29.458 29.762 -0.030 0.000 1.373 486 H HN 0.281 nan 8.280 nan 0.000 0.497 487 T N -0.279 114.311 114.554 0.060 0.000 2.788 487 T HA -0.180 4.169 4.350 -0.000 0.000 0.268 487 T C 1.530 176.214 174.700 -0.027 0.000 1.044 487 T CA 1.392 63.505 62.100 0.021 0.000 1.139 487 T CB -0.572 68.411 68.868 0.192 0.000 0.867 487 T HN 0.438 nan 8.240 nan 0.000 0.454 488 Y N 2.179 122.422 120.300 -0.095 0.000 2.200 488 Y HA -0.126 4.424 4.550 -0.000 0.000 0.290 488 Y C 2.018 177.825 175.900 -0.155 0.000 1.137 488 Y CA 1.260 59.278 58.100 -0.138 0.000 1.163 488 Y CB -0.352 38.019 38.460 -0.149 0.000 0.988 488 Y HN 0.112 nan 8.280 nan 0.000 0.518 489 D N -0.553 119.740 120.400 -0.179 0.000 2.104 489 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 489 D C 2.407 178.520 176.300 -0.311 0.000 0.994 489 D CA 1.519 55.374 54.000 -0.242 0.000 0.830 489 D CB -0.251 40.466 40.800 -0.138 0.000 0.959 489 D HN 0.163 nan 8.370 nan 0.000 0.452 490 R N 0.213 120.521 120.500 -0.320 0.000 2.092 490 R HA 0.027 4.367 4.340 -0.000 0.000 0.231 490 R C 1.863 178.023 176.300 -0.233 0.000 1.119 490 R CA 1.077 57.010 56.100 -0.277 0.000 0.970 490 R CB -0.544 29.572 30.300 -0.307 0.000 0.864 490 R HN 0.511 nan 8.270 nan 0.000 0.440 491 E N -1.103 118.946 120.200 -0.252 0.000 2.676 491 E HA 0.235 4.585 4.350 -0.000 0.000 0.225 491 E C -0.399 176.050 176.600 -0.252 0.000 0.944 491 E CA -0.395 55.887 56.400 -0.197 0.000 1.156 491 E CB 0.798 30.425 29.700 -0.122 0.000 1.117 491 E HN 0.016 nan 8.360 nan 0.000 0.523 492 K N 1.429 121.536 120.400 -0.487 0.000 3.071 492 K HA -0.197 4.123 4.320 -0.000 0.000 0.265 492 K C -0.446 175.970 176.600 -0.306 0.000 1.060 492 K CA 1.183 57.036 56.287 -0.723 0.000 0.767 492 K CB -1.841 30.388 32.500 -0.452 0.000 1.241 492 K HN 0.454 nan 8.250 nan 0.000 0.486 493 K N -1.177 119.166 120.400 -0.094 0.000 2.533 493 K HA 0.645 4.965 4.320 -0.000 0.000 0.272 493 K C -0.871 175.837 176.600 0.179 0.000 0.985 493 K CA -1.186 55.157 56.287 0.095 0.000 0.876 493 K CB 1.446 34.009 32.500 0.105 0.000 1.452 493 K HN -0.085 nan 8.250 nan 0.000 0.439 494 L N 1.073 122.430 121.223 0.222 0.000 2.334 494 L HA 0.612 4.952 4.340 -0.000 0.000 0.273 494 L C -0.249 176.746 176.870 0.209 0.000 1.013 494 L CA -0.680 54.305 54.840 0.242 0.000 0.816 494 L CB 1.903 44.105 42.059 0.238 0.000 1.278 494 L HN 0.660 nan 8.230 nan 0.000 0.431 495 V N -1.357 118.621 119.914 0.107 0.000 3.164 495 V HA 0.536 4.656 4.120 -0.000 0.000 0.313 495 V C 0.805 176.735 176.094 -0.272 0.000 1.188 495 V CA -0.524 61.699 62.300 -0.128 0.000 1.058 495 V CB 1.625 33.239 31.823 -0.347 0.000 1.110 495 V HN 0.875 nan 8.190 nan 0.000 0.453 496 E N 0.650 120.447 120.200 -0.672 0.000 2.208 496 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 496 E C 0.523 176.845 176.600 -0.463 0.000 0.988 496 E CA 0.865 56.730 56.400 -0.893 0.000 0.828 496 E CB 0.102 29.066 29.700 -1.227 0.000 0.763 496 E HN 0.724 nan 8.360 nan 0.000 0.478 497 K N -0.379 119.548 120.400 -0.788 0.000 2.578 497 K HA 0.246 4.565 4.320 -0.000 0.000 0.287 497 K C -2.085 173.954 176.600 -0.935 0.000 1.010 497 K CA -0.775 54.905 56.287 -1.011 0.000 0.889 497 K CB 0.979 32.205 32.500 -2.122 0.000 1.514 497 K HN 0.023 nan 8.250 nan 0.000 0.424 498 Y N -0.154 119.869 120.300 -0.462 0.000 2.512 498 Y HA 0.250 4.800 4.550 -0.000 0.000 0.348 498 Y C -0.411 175.341 175.900 -0.246 0.000 0.990 498 Y CA -0.826 57.115 58.100 -0.266 0.000 1.033 498 Y CB 2.034 40.396 38.460 -0.163 0.000 1.259 498 Y HN 0.624 nan 8.280 nan 0.000 0.461 499 D N 1.961 122.324 120.400 -0.061 0.000 2.336 499 D HA 0.100 4.739 4.640 -0.000 0.000 0.249 499 D C 0.770 177.069 176.300 -0.003 0.000 1.213 499 D CA 0.140 54.105 54.000 -0.059 0.000 0.870 499 D CB 1.611 42.370 40.800 -0.068 0.000 1.076 499 D HN 0.502 nan 8.370 nan 0.000 0.483 500 V N 1.708 121.623 119.914 0.001 0.000 3.623 500 V HA -0.002 4.118 4.120 -0.000 0.000 0.271 500 V C 1.765 177.863 176.094 0.006 0.000 1.248 500 V CA 0.441 62.759 62.300 0.030 0.000 1.156 500 V CB -0.205 31.650 31.823 0.054 0.000 0.870 500 V HN 0.328 nan 8.190 nan 0.000 0.453 501 S N 1.293 116.985 115.700 -0.013 0.000 2.419 501 S HA -0.031 4.439 4.470 -0.000 0.000 0.233 501 S C 1.140 175.717 174.600 -0.038 0.000 1.016 501 S CA 1.585 59.773 58.200 -0.020 0.000 0.974 501 S CB -0.293 62.893 63.200 -0.022 0.000 0.786 501 S HN 1.009 nan 8.310 nan 0.000 0.492 502 T N -1.533 112.989 114.554 -0.053 0.000 2.654 502 T HA 0.593 4.943 4.350 -0.000 0.000 0.289 502 T C -0.252 174.383 174.700 -0.108 0.000 1.062 502 T CA -0.555 61.491 62.100 -0.089 0.000 1.041 502 T CB 1.575 70.380 68.868 -0.105 0.000 1.417 502 T HN 0.123 nan 8.240 nan 0.000 0.510 513 P HA 0.263 nan 4.420 nan 0.000 0.274 513 P C -0.752 176.618 177.300 0.118 0.000 1.246 513 P CA -0.549 62.595 63.100 0.072 0.000 0.795 513 P CB 1.085 32.831 31.700 0.077 0.000 1.006 514 L N 1.732 122.962 121.223 0.011 0.000 2.628 514 L HA -0.042 4.298 4.340 -0.000 0.000 0.274 514 L C 0.337 177.248 176.870 0.068 0.000 1.209 514 L CA 0.898 55.734 54.840 -0.007 0.000 0.930 514 L CB -0.519 41.478 42.059 -0.104 0.000 1.183 514 L HN 0.237 nan 8.230 nan 0.000 0.492 515 Q N 3.746 123.616 119.800 0.117 0.000 2.235 515 Q HA 0.348 4.688 4.340 -0.000 0.000 0.250 515 Q C -0.887 175.191 176.000 0.131 0.000 0.909 515 Q CA -0.511 55.397 55.803 0.175 0.000 0.910 515 Q CB 1.472 30.434 28.738 0.374 0.000 1.223 515 Q HN 0.556 nan 8.270 nan 0.000 0.432 516 D N -0.172 120.372 120.400 0.239 0.000 2.181 516 D HA 0.676 5.316 4.640 -0.000 0.000 0.248 516 D C 0.566 177.100 176.300 0.391 0.000 1.020 516 D CA -0.237 53.918 54.000 0.257 0.000 0.891 516 D CB 1.998 42.900 40.800 0.171 0.000 1.187 516 D HN 0.680 nan 8.370 nan 0.000 0.443 517 G N 0.117 109.127 108.800 0.350 0.000 3.594 517 G HA2 0.026 3.986 3.960 -0.000 0.000 0.107 517 G HA3 0.026 3.986 3.960 -0.000 0.000 0.107 517 G C -1.279 173.714 174.900 0.154 0.000 1.307 517 G CA -0.432 44.769 45.100 0.167 0.000 1.089 517 G HN 0.374 nan 8.290 nan 0.000 0.364 518 F N 2.093 122.074 119.950 0.051 0.000 2.562 518 F HA 0.583 5.110 4.527 -0.000 0.000 0.319 518 F C 1.235 177.091 175.800 0.092 0.000 1.154 518 F CA 0.266 58.309 58.000 0.072 0.000 0.931 518 F CB 1.814 40.889 39.000 0.126 0.000 1.198 518 F HN 0.602 nan 8.300 nan 0.000 0.444 519 G N 5.198 113.735 108.800 -0.438 0.000 2.855 519 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.227 519 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.227 519 G C 1.120 176.131 174.900 0.184 0.000 1.245 519 G CA 1.754 46.775 45.100 -0.132 0.000 0.781 519 G HN 0.920 nan 8.290 nan 0.000 0.666 520 W N 0.981 122.344 121.300 0.105 0.000 2.374 520 W HA 0.107 4.767 4.660 -0.000 0.000 0.288 520 W C 2.147 178.752 176.519 0.145 0.000 1.218 520 W CA 1.691 59.110 57.345 0.123 0.000 1.245 520 W CB -1.550 27.912 29.460 0.003 0.000 1.126 520 W HN 0.157 nan 8.180 nan 0.000 0.545 521 T N 1.932 116.949 114.554 0.771 0.000 2.746 521 T HA -0.243 4.106 4.350 -0.000 0.000 0.267 521 T C 1.534 176.403 174.700 0.282 0.000 1.039 521 T CA 2.085 64.483 62.100 0.498 0.000 1.142 521 T CB -0.482 68.728 68.868 0.570 0.000 0.866 521 T HN 0.120 nan 8.240 nan 0.000 0.444 522 N N 1.061 119.901 118.700 0.234 0.000 2.084 522 N HA -0.030 4.710 4.740 -0.000 0.000 0.190 522 N C 2.122 177.705 175.510 0.122 0.000 1.030 522 N CA 1.405 54.503 53.050 0.081 0.000 0.849 522 N CB -0.912 37.518 38.487 -0.095 0.000 1.012 522 N HN 0.476 nan 8.380 nan 0.000 0.423 523 G N 0.248 109.180 108.800 0.219 0.000 2.402 523 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.216 523 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.216 523 G C 1.610 176.481 174.900 -0.049 0.000 1.162 523 G CA 0.650 45.836 45.100 0.144 0.000 0.777 523 G HN 0.196 nan 8.290 nan 0.000 0.539 524 V N 0.962 120.862 119.914 -0.024 0.000 2.427 524 V HA -0.151 3.969 4.120 -0.000 0.000 0.248 524 V C 3.128 179.169 176.094 -0.088 0.000 1.051 524 V CA 2.219 64.426 62.300 -0.155 0.000 1.048 524 V CB -0.738 31.062 31.823 -0.038 0.000 0.666 524 V HN 0.360 nan 8.190 nan 0.000 0.456 525 T N 0.425 114.984 114.554 0.008 0.000 2.746 525 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 525 T C 1.878 176.534 174.700 -0.073 0.000 1.039 525 T CA 1.303 63.391 62.100 -0.020 0.000 1.142 525 T CB -0.274 68.569 68.868 -0.042 0.000 0.866 525 T HN 0.140 nan 8.240 nan 0.000 0.444 526 L N 1.136 122.316 121.223 -0.073 0.000 2.046 526 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 526 L C 2.386 179.188 176.870 -0.114 0.000 1.077 526 L CA 1.683 56.480 54.840 -0.072 0.000 0.747 526 L CB -0.831 41.217 42.059 -0.018 0.000 0.896 526 L HN 0.103 nan 8.230 nan 0.000 0.432 527 K N -0.886 119.377 120.400 -0.228 0.000 2.057 527 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 527 K C 2.067 178.607 176.600 -0.100 0.000 1.049 527 K CA 1.341 57.435 56.287 -0.322 0.000 0.931 527 K CB -0.388 31.511 32.500 -1.002 0.000 0.714 527 K HN 0.352 nan 8.250 nan 0.000 0.440 528 M N 0.351 119.920 119.600 -0.052 0.000 2.200 528 M HA -0.060 4.420 4.480 -0.000 0.000 0.265 528 M C 2.286 178.558 176.300 -0.045 0.000 1.066 528 M CA 1.012 56.361 55.300 0.081 0.000 1.127 528 M CB -0.232 32.433 32.600 0.109 0.000 1.379 528 M HN 0.035 nan 8.290 nan 0.000 0.420 529 L N 0.312 121.483 121.223 -0.086 0.000 2.017 529 L HA -0.266 4.074 4.340 -0.000 0.000 0.208 529 L C 1.876 178.696 176.870 -0.085 0.000 1.073 529 L CA 1.347 56.112 54.840 -0.124 0.000 0.745 529 L CB -0.525 41.470 42.059 -0.106 0.000 0.894 529 L HN 0.284 nan 8.230 nan 0.000 0.432 530 D N -0.299 120.080 120.400 -0.036 0.000 2.144 530 D HA -0.197 4.442 4.640 -0.000 0.000 0.199 530 D C 2.213 178.529 176.300 0.026 0.000 0.984 530 D CA 0.918 54.919 54.000 0.001 0.000 0.834 530 D CB -0.060 40.753 40.800 0.021 0.000 0.955 530 D HN 0.268 nan 8.370 nan 0.000 0.465 531 L N 0.746 121.996 121.223 0.045 0.000 2.056 531 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 531 L C 2.145 179.031 176.870 0.027 0.000 1.078 531 L CA 0.954 55.841 54.840 0.078 0.000 0.749 531 L CB -0.126 42.020 42.059 0.146 0.000 0.901 531 L HN 0.078 nan 8.230 nan 0.000 0.433 532 I N -4.056 116.462 120.570 -0.086 0.000 3.578 532 I HA 0.048 4.218 4.170 -0.000 0.000 0.295 532 I C 0.487 176.598 176.117 -0.010 0.000 1.280 532 I CA -0.273 60.936 61.300 -0.151 0.000 1.347 532 I CB -0.343 37.189 38.000 -0.781 0.000 1.051 532 I HN 0.047 nan 8.210 nan 0.000 0.460 533 c N 1.261 119.859 118.600 -0.005 0.000 2.614 533 c HA 0.586 5.155 4.570 -0.000 0.000 0.320 533 c C -2.239 171.887 174.090 0.060 0.000 1.200 533 c CA -1.174 55.185 56.329 0.050 0.000 1.700 533 c CB 1.332 43.853 42.510 0.017 0.000 2.275 533 c HN 0.159 nan 8.230 nan 0.000 0.492 534 P HA 0.045 nan 4.420 nan 0.000 0.266 534 P C 0.553 177.883 177.300 0.050 0.000 1.193 534 P CA 0.193 63.331 63.100 0.063 0.000 0.770 534 P CB 0.572 32.307 31.700 0.059 0.000 0.836 535 K N 1.512 121.942 120.400 0.050 0.000 2.057 535 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 535 K C 1.409 178.033 176.600 0.040 0.000 1.049 535 K CA 1.532 57.847 56.287 0.046 0.000 0.931 535 K CB 0.057 32.586 32.500 0.049 0.000 0.714 535 K HN 0.229 nan 8.250 nan 0.000 0.440 536 E N -1.086 119.137 120.200 0.039 0.000 2.479 536 E HA 0.027 4.377 4.350 -0.000 0.000 0.193 536 E C 0.277 176.896 176.600 0.033 0.000 1.049 536 E CA 0.769 57.190 56.400 0.034 0.000 0.870 536 E CB 1.056 30.776 29.700 0.032 0.000 0.944 536 E HN 0.560 nan 8.360 nan 0.000 0.492 537 Q N 1.061 120.882 119.800 0.036 0.000 2.928 537 Q HA 0.317 4.656 4.340 -0.000 0.000 0.353 537 Q C -2.632 173.388 176.000 0.033 0.000 0.870 537 Q CA -1.811 54.013 55.803 0.035 0.000 0.963 537 Q CB -0.109 28.653 28.738 0.039 0.000 1.419 537 Q HN 0.238 nan 8.270 nan 0.000 0.396 538 P HA 0.352 nan 4.420 nan 0.000 0.272 538 P C -0.340 176.967 177.300 0.011 0.000 1.223 538 P CA -0.118 62.992 63.100 0.017 0.000 0.784 538 P CB 1.027 32.735 31.700 0.014 0.000 0.923 539 c N 1.484 120.082 118.600 -0.003 0.000 2.365 539 c HA 0.310 4.880 4.570 -0.000 0.000 0.349 539 c C 1.411 175.486 174.090 -0.025 0.000 1.191 539 c CA -0.174 56.149 56.329 -0.009 0.000 2.114 539 c CB 0.575 43.073 42.510 -0.020 0.000 2.367 539 c HN 0.575 nan 8.230 nan 0.000 0.530 540 D N 0.468 120.856 120.400 -0.020 0.000 2.407 540 D HA 0.137 4.776 4.640 -0.000 0.000 0.208 540 D C 0.062 176.330 176.300 -0.054 0.000 1.083 540 D CA 0.698 54.678 54.000 -0.033 0.000 0.844 540 D CB 0.217 41.008 40.800 -0.014 0.000 0.967 540 D HN 0.537 nan 8.370 nan 0.000 0.506 541 N N -0.296 118.380 118.700 -0.040 0.000 2.416 541 N HA 0.225 4.964 4.740 -0.000 0.000 0.276 541 N C -0.758 174.726 175.510 -0.043 0.000 1.261 541 N CA -0.552 52.471 53.050 -0.044 0.000 0.790 541 N CB 2.842 41.331 38.487 0.002 0.000 1.554 541 N HN -0.303 nan 8.380 nan 0.000 0.481 542 V N 2.320 122.201 119.914 -0.055 0.000 2.529 542 V HA 0.126 4.246 4.120 -0.000 0.000 0.292 542 V C -1.830 174.299 176.094 0.057 0.000 1.028 542 V CA -0.804 61.461 62.300 -0.058 0.000 1.074 542 V CB -0.104 31.682 31.823 -0.061 0.000 0.958 542 V HN 0.519 nan 8.190 nan 0.000 0.481 543 P HA 0.085 nan 4.420 nan 0.000 0.265 543 P C 0.697 178.135 177.300 0.231 0.000 1.193 543 P CA 0.224 63.448 63.100 0.207 0.000 0.765 543 P CB 0.724 32.617 31.700 0.323 0.000 0.823 544 A N 3.006 125.909 122.820 0.139 0.000 1.948 544 A HA -0.074 4.245 4.320 -0.000 0.000 0.220 544 A C 1.029 178.669 177.584 0.094 0.000 1.177 544 A CA 2.086 54.187 52.037 0.106 0.000 0.636 544 A CB -1.105 nan 19.000 nan 0.000 0.815 544 A HN 0.638 nan 8.150 nan 0.000 0.449 545 T N -2.946 111.657 114.554 0.080 0.000 2.893 545 T HA 0.613 4.963 4.350 -0.000 0.000 0.291 545 T C -0.415 174.252 174.700 -0.055 0.000 1.028 545 T CA -0.641 61.461 62.100 0.003 0.000 0.995 545 T CB 1.967 70.823 68.868 -0.019 0.000 1.051 545 T HN 0.682 nan 8.240 nan 0.000 0.470 546 R N 0.000 120.328 120.500 -0.287 0.000 2.786 546 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 546 R CA 0.000 55.728 56.100 -0.620 0.000 0.921 546 R CB 0.000 29.276 30.300 -1.706 0.000 0.687 546 R HN 0.000 nan 8.270 nan 0.000 0.535