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 2hty_1_A DATA FIRST_RESID 83 DATA SEQUENCE VKLAGNSSLc PINGWAVYSK DNSIRIGSKG DVFVIREPFI ScSHLEcRTF DATA SEQUENCE FLTQGALLND KHSNGTVKDR SPHRTLMSCP VGEAPSYNSR FESVAWSASA DATA SEQUENCE cHDGTSWLTI GISGPDNGAV AVLKYNGIIT DTIKSWRNNI LRTQESEcAc DATA SEQUENCE VNGScFTVMT DGPSNGQASY KIFKMEKGKV VKSVELDAPN YHYEEcScYP DATA SEQUENCE NAGEITcVcR DNWHGSNRPW VSFNXQNLEY QIGYIcSGVF GDNPRPNDGT DATA SEQUENCE GXScXXGPVS SNGAYGVKGF SFKYGNGVWI GRTKSTNSRS GFEMIWDPNG DATA SEQUENCE WTETDSSFSV XKQDIVAITD WSGYSGSFVL TGLDcIRPcF WVELIRGRPK DATA SEQUENCE EXSTIWTSGS SISFcGVNSD TVGWSWPDGA ELPFTI 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 83 V HA 0.000 nan 4.120 nan 0.000 0.244 83 V C 0.000 176.045 176.094 -0.082 0.000 1.182 83 V CA 0.000 62.257 62.300 -0.071 0.000 1.235 83 V CB 0.000 31.795 31.823 -0.047 0.000 1.184 84 K N 2.972 123.347 120.400 -0.041 0.000 2.561 84 K HA 0.137 4.457 4.320 0.000 0.000 0.280 84 K C -0.245 176.351 176.600 -0.008 0.000 0.975 84 K CA -0.201 56.075 56.287 -0.020 0.000 1.024 84 K CB 0.401 32.902 32.500 0.001 0.000 0.883 84 K HN 0.405 nan 8.250 nan 0.000 0.496 85 L N 2.863 124.095 121.223 0.014 0.000 2.369 85 L HA 0.122 4.462 4.340 0.000 0.000 0.279 85 L C -0.230 176.669 176.870 0.048 0.000 1.108 85 L CA 0.579 55.441 54.840 0.036 0.000 0.852 85 L CB 0.247 42.345 42.059 0.065 0.000 1.169 85 L HN 0.715 nan 8.230 nan 0.000 0.452 86 A N 3.578 126.422 122.820 0.039 0.000 2.328 86 A HA 0.612 4.932 4.320 0.000 0.000 0.284 86 A C 0.786 178.398 177.584 0.046 0.000 1.160 86 A CA 0.104 52.165 52.037 0.041 0.000 0.818 86 A CB 0.427 19.444 19.000 0.028 0.000 1.087 86 A HN 0.871 nan 8.150 nan 0.000 0.504 87 G N 1.058 109.889 108.800 0.052 0.000 4.433 87 G HA2 0.176 4.136 3.960 0.000 0.000 0.304 87 G HA3 0.176 4.136 3.960 0.000 0.000 0.304 87 G C 0.440 175.356 174.900 0.026 0.000 1.254 87 G CA 0.191 45.320 45.100 0.048 0.000 0.999 87 G HN 0.934 nan 8.290 nan 0.000 0.576 88 N N -0.410 118.302 118.700 0.020 0.000 2.446 88 N HA -0.027 4.713 4.740 0.000 0.000 0.179 88 N C 1.347 176.857 175.510 0.000 0.000 1.054 88 N CA 0.268 53.322 53.050 0.008 0.000 0.905 88 N CB 0.131 38.623 38.487 0.010 0.000 0.973 88 N HN 0.239 nan 8.380 nan 0.000 0.448 89 S N -0.194 115.508 115.700 0.003 0.000 2.634 89 S HA 0.379 4.849 4.470 0.000 0.000 0.261 89 S C 0.063 174.657 174.600 -0.009 0.000 1.271 89 S CA -0.878 57.319 58.200 -0.004 0.000 0.985 89 S CB 1.460 64.658 63.200 -0.004 0.000 0.968 89 S HN 0.107 nan 8.310 nan 0.000 0.568 90 S N -0.052 115.638 115.700 -0.017 0.000 2.718 90 S HA 0.490 4.960 4.470 0.000 0.000 0.300 90 S C -0.029 174.547 174.600 -0.041 0.000 1.117 90 S CA -0.889 57.294 58.200 -0.029 0.000 1.002 90 S CB 0.382 63.565 63.200 -0.029 0.000 1.092 90 S HN 0.603 nan 8.310 nan 0.000 0.542 91 L N 1.493 122.666 121.223 -0.083 0.000 2.525 91 L HA 0.079 4.419 4.340 0.000 0.000 0.278 91 L C -0.019 176.844 176.870 -0.012 0.000 1.218 91 L CA -0.419 54.346 54.840 -0.126 0.000 0.878 91 L CB -0.229 41.610 42.059 -0.366 0.000 1.127 91 L HN 0.666 nan 8.230 nan 0.000 0.492 92 c N 4.769 123.344 118.600 -0.041 0.000 2.662 92 c HA 0.176 4.746 4.570 0.000 0.000 0.420 92 c C -1.464 172.626 174.090 0.001 0.000 1.314 92 c CA -1.128 55.176 56.329 -0.041 0.000 1.963 92 c CB -0.493 41.947 42.510 -0.118 0.000 2.686 92 c HN 0.539 nan 8.230 nan 0.000 0.609 93 P HA 0.381 nan 4.420 nan 0.000 0.271 93 P C -0.742 176.383 177.300 -0.293 0.000 1.216 93 P CA 0.410 63.418 63.100 -0.154 0.000 0.776 93 P CB 0.532 32.157 31.700 -0.126 0.000 0.881 94 I N -1.101 119.190 120.570 -0.465 0.000 2.894 94 I HA 0.473 4.644 4.170 0.000 0.000 0.302 94 I C 0.135 175.987 176.117 -0.442 0.000 1.188 94 I CA -0.974 60.017 61.300 -0.516 0.000 1.014 94 I CB 2.313 39.828 38.000 -0.808 0.000 1.242 94 I HN -0.003 nan 8.210 nan 0.000 0.430 95 N N 2.267 120.747 118.700 -0.367 0.000 2.407 95 N HA 0.350 5.090 4.740 0.000 0.000 0.182 95 N C 0.379 175.804 175.510 -0.142 0.000 1.079 95 N CA 0.595 53.533 53.050 -0.186 0.000 0.882 95 N CB 1.593 40.002 38.487 -0.130 0.000 1.106 95 N HN 0.929 nan 8.380 nan 0.000 0.461 96 G N -0.488 108.051 108.800 -0.435 0.000 2.554 96 G HA2 0.476 4.436 3.960 0.000 0.000 0.306 96 G HA3 0.476 4.436 3.960 0.000 0.000 0.306 96 G C -2.188 172.267 174.900 -0.741 0.000 1.320 96 G CA -0.777 44.074 45.100 -0.415 0.000 0.800 96 G HN 0.054 nan 8.290 nan 0.000 0.481 97 W N 0.254 121.514 121.300 -0.067 0.000 2.600 97 W HA 0.722 5.382 4.660 0.000 0.000 0.325 97 W C 0.162 176.769 176.519 0.147 0.000 1.034 97 W CA -0.690 56.658 57.345 0.006 0.000 1.226 97 W CB 2.163 31.671 29.460 0.082 0.000 1.379 97 W HN 0.744 nan 8.180 nan 0.000 0.466 98 A N 2.842 125.819 122.820 0.262 0.000 2.301 98 A HA 0.719 5.039 4.320 0.000 0.000 0.312 98 A C -0.012 177.646 177.584 0.124 0.000 1.182 98 A CA -0.810 51.344 52.037 0.196 0.000 0.826 98 A CB 0.354 19.394 19.000 0.067 0.000 1.134 98 A HN 0.832 nan 8.150 nan 0.000 0.501 99 V N 0.600 120.437 119.914 -0.128 0.000 2.788 99 V HA 0.055 4.175 4.120 0.000 0.000 0.307 99 V C 0.624 176.510 176.094 -0.346 0.000 1.069 99 V CA 0.588 62.428 62.300 -0.767 0.000 1.173 99 V CB -0.286 30.958 31.823 -0.966 0.000 0.925 99 V HN 0.930 nan 8.190 nan 0.000 0.492 100 Y N 2.661 122.616 120.300 -0.575 0.000 2.664 100 Y HA 0.391 4.941 4.550 0.000 0.000 0.278 100 Y C 1.198 176.955 175.900 -0.238 0.000 1.130 100 Y CA 0.507 58.444 58.100 -0.272 0.000 1.260 100 Y CB 0.603 38.988 38.460 -0.126 0.000 1.369 100 Y HN 1.062 nan 8.280 nan 0.000 0.499 101 S N -0.043 115.466 115.700 -0.320 0.000 2.587 101 S HA 0.539 5.009 4.470 0.000 0.000 0.269 101 S C -1.550 172.907 174.600 -0.239 0.000 1.154 101 S CA -0.976 57.043 58.200 -0.302 0.000 0.824 101 S CB 2.500 65.525 63.200 -0.292 0.000 1.118 101 S HN 0.146 nan 8.310 nan 0.000 0.462 102 K N 0.768 121.077 120.400 -0.152 0.000 2.616 102 K HA 0.276 4.596 4.320 0.000 0.000 0.255 102 K C -0.846 175.725 176.600 -0.049 0.000 0.995 102 K CA -0.343 55.904 56.287 -0.067 0.000 0.860 102 K CB 1.185 33.678 32.500 -0.012 0.000 1.264 102 K HN 0.762 nan 8.250 nan 0.000 0.451 103 D N 2.895 123.270 120.400 -0.041 0.000 2.333 103 D HA -0.068 4.573 4.640 0.000 0.000 0.208 103 D C -0.012 176.272 176.300 -0.028 0.000 0.984 103 D CA 0.386 54.352 54.000 -0.056 0.000 0.873 103 D CB -0.251 40.495 40.800 -0.090 0.000 0.935 103 D HN 0.801 nan 8.370 nan 0.000 0.521 104 N N -0.473 118.234 118.700 0.012 0.000 2.681 104 N HA -0.295 4.445 4.740 0.000 0.000 0.250 104 N C 0.948 176.471 175.510 0.021 0.000 1.133 104 N CA 0.700 53.772 53.050 0.037 0.000 0.732 104 N CB -1.075 37.433 38.487 0.036 0.000 1.107 104 N HN 0.386 nan 8.380 nan 0.000 0.559 105 S N -0.082 115.610 115.700 -0.012 0.000 2.380 105 S HA -0.240 4.230 4.470 0.000 0.000 0.229 105 S C 1.572 176.173 174.600 0.001 0.000 1.043 105 S CA 1.534 59.708 58.200 -0.043 0.000 1.038 105 S CB -0.354 62.785 63.200 -0.101 0.000 0.872 105 S HN 0.477 nan 8.310 nan 0.000 0.456 106 I N 1.486 122.090 120.570 0.056 0.000 2.252 106 I HA -0.116 4.054 4.170 0.000 0.000 0.245 106 I C 3.101 179.369 176.117 0.252 0.000 1.102 106 I CA 1.204 62.582 61.300 0.130 0.000 1.385 106 I CB -0.344 37.745 38.000 0.150 0.000 1.064 106 I HN 0.225 nan 8.210 nan 0.000 0.414 107 R N 0.875 121.487 120.500 0.186 0.000 2.083 107 R HA -0.126 4.214 4.340 0.000 0.000 0.237 107 R C 2.306 178.649 176.300 0.072 0.000 1.137 107 R CA 1.507 57.704 56.100 0.161 0.000 0.951 107 R CB -0.329 30.034 30.300 0.106 0.000 0.851 107 R HN 0.332 nan 8.270 nan 0.000 0.434 108 I N -0.301 120.291 120.570 0.035 0.000 2.394 108 I HA -0.126 4.044 4.170 0.000 0.000 0.251 108 I C 2.350 178.444 176.117 -0.038 0.000 1.136 108 I CA 1.194 62.484 61.300 -0.016 0.000 1.425 108 I CB -0.478 37.503 38.000 -0.032 0.000 1.079 108 I HN 0.317 nan 8.210 nan 0.000 0.425 109 G N -0.282 108.517 108.800 -0.002 0.000 2.509 109 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 109 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 109 G C 1.700 176.581 174.900 -0.031 0.000 1.124 109 G CA 0.874 45.962 45.100 -0.020 0.000 0.776 109 G HN 0.365 nan 8.290 nan 0.000 0.547 110 S N -0.348 115.281 115.700 -0.118 0.000 2.383 110 S HA -0.106 4.364 4.470 0.000 0.000 0.229 110 S C 2.089 176.506 174.600 -0.305 0.000 1.030 110 S CA 2.128 60.020 58.200 -0.512 0.000 1.002 110 S CB -0.131 62.690 63.200 -0.631 0.000 0.829 110 S HN 0.574 nan 8.310 nan 0.000 0.467 111 K N -0.898 119.395 120.400 -0.179 0.000 2.424 111 K HA 0.253 4.573 4.320 0.000 0.000 0.200 111 K C 1.098 177.642 176.600 -0.093 0.000 1.279 111 K CA 0.492 56.703 56.287 -0.128 0.000 0.918 111 K CB -0.090 32.347 32.500 -0.105 0.000 1.287 111 K HN 0.310 nan 8.250 nan 0.000 0.502 112 G N 0.951 109.698 108.800 -0.088 0.000 2.716 112 G HA2 0.005 3.965 3.960 0.000 0.000 0.251 112 G HA3 0.005 3.965 3.960 0.000 0.000 0.251 112 G C -0.750 174.078 174.900 -0.119 0.000 1.224 112 G CA -0.258 44.794 45.100 -0.080 0.000 0.891 112 G HN 0.270 nan 8.290 nan 0.000 0.561 113 D N 0.306 120.612 120.400 -0.156 0.000 2.564 113 D HA 0.310 4.950 4.640 0.000 0.000 0.226 113 D C -0.050 175.981 176.300 -0.447 0.000 1.149 113 D CA 0.001 53.824 54.000 -0.295 0.000 0.994 113 D CB 0.972 41.556 40.800 -0.360 0.000 1.029 113 D HN 0.012 nan 8.370 nan 0.000 0.517 114 V N 1.926 121.641 119.914 -0.332 0.000 2.472 114 V HA 0.333 4.453 4.120 0.000 0.000 0.290 114 V C 0.536 176.449 176.094 -0.302 0.000 1.037 114 V CA -0.837 61.263 62.300 -0.334 0.000 0.908 114 V CB 1.097 32.798 31.823 -0.203 0.000 0.985 114 V HN 0.251 nan 8.190 nan 0.000 0.454 115 F N 2.684 122.496 119.950 -0.229 0.000 2.506 115 F HA 0.235 4.762 4.527 0.000 0.000 0.351 115 F C 0.589 176.284 175.800 -0.176 0.000 1.136 115 F CA 0.066 57.961 58.000 -0.174 0.000 1.298 115 F CB 1.159 40.074 39.000 -0.141 0.000 1.145 115 F HN 0.340 nan 8.300 nan 0.000 0.593 116 V N 6.814 126.803 119.914 0.125 0.000 2.432 116 V HA 0.511 4.631 4.120 0.000 0.000 0.271 116 V C -0.289 175.846 176.094 0.068 0.000 1.046 116 V CA -0.269 62.051 62.300 0.032 0.000 0.945 116 V CB 0.225 32.065 31.823 0.027 0.000 0.992 116 V HN 0.626 nan 8.190 nan 0.000 0.471 117 I N 4.946 125.534 120.570 0.030 0.000 3.239 117 I HA 0.837 5.007 4.170 0.000 0.000 0.314 117 I C -1.003 175.143 176.117 0.048 0.000 1.126 117 I CA -1.312 60.013 61.300 0.041 0.000 0.973 117 I CB 2.491 40.459 38.000 -0.053 0.000 1.252 117 I HN 0.438 nan 8.210 nan 0.000 0.463 118 R N 1.469 122.009 120.500 0.068 0.000 2.740 118 R HA 0.292 4.632 4.340 0.000 0.000 0.273 118 R C -1.203 175.137 176.300 0.066 0.000 0.998 118 R CA -0.478 55.641 56.100 0.032 0.000 0.900 118 R CB 1.491 31.792 30.300 0.002 0.000 1.223 118 R HN 0.921 nan 8.270 nan 0.000 0.466 119 E N 0.556 120.789 120.200 0.055 0.000 2.332 119 E HA -0.148 4.202 4.350 0.000 0.000 0.162 119 E C -2.051 174.544 176.600 -0.008 0.000 1.637 119 E CA 0.125 56.617 56.400 0.154 0.000 0.654 119 E CB -1.010 28.890 29.700 0.332 0.000 1.072 119 E HN 0.226 nan 8.360 nan 0.000 0.336 120 P HA 0.102 nan 4.420 nan 0.000 0.225 120 P C -0.396 176.422 177.300 -0.803 0.000 1.830 120 P CA -0.425 62.490 63.100 -0.308 0.000 1.051 120 P CB -0.758 30.839 31.700 -0.172 0.000 1.929 121 F N 1.542 120.903 119.950 -0.982 0.000 2.389 121 F HA 0.514 5.041 4.527 0.000 0.000 0.337 121 F C 0.048 175.458 175.800 -0.650 0.000 1.112 121 F CA -1.271 55.818 58.000 -1.518 0.000 1.192 121 F CB 0.278 38.880 39.000 -0.663 0.000 1.185 121 F HN -0.034 nan 8.300 nan 0.000 0.552 122 I N 1.999 122.308 120.570 -0.435 0.000 2.577 122 I HA 0.488 4.658 4.170 0.000 0.000 0.305 122 I C -0.039 176.106 176.117 0.047 0.000 0.986 122 I CA -0.663 60.429 61.300 -0.346 0.000 1.189 122 I CB 1.836 39.234 38.000 -1.004 0.000 1.355 122 I HN 0.801 nan 8.210 nan 0.000 0.476 123 S N 3.240 119.058 115.700 0.197 0.000 2.537 123 S HA 0.603 5.073 4.470 0.000 0.000 0.271 123 S C -1.296 173.681 174.600 0.628 0.000 1.148 123 S CA -0.513 57.990 58.200 0.504 0.000 0.868 123 S CB 1.158 64.715 63.200 0.596 0.000 1.115 123 S HN 0.688 nan 8.310 nan 0.000 0.461 124 c N 2.563 121.503 118.600 0.566 0.000 2.667 124 c HA 0.954 5.524 4.570 0.000 0.000 0.323 124 c C 0.890 175.051 174.090 0.119 0.000 1.214 124 c CA -0.562 56.022 56.329 0.424 0.000 1.721 124 c CB 1.242 43.944 42.510 0.320 0.000 2.275 124 c HN 1.014 nan 8.230 nan 0.000 0.491 125 S N 0.187 115.818 115.700 -0.114 0.000 2.694 125 S HA 0.383 4.853 4.470 0.000 0.000 0.286 125 S C 0.781 175.243 174.600 -0.230 0.000 1.080 125 S CA -0.180 57.657 58.200 -0.605 0.000 0.953 125 S CB 0.033 62.513 63.200 -1.200 0.000 1.313 125 S HN 0.924 nan 8.310 nan 0.000 0.555 126 H N -0.030 118.811 119.070 -0.381 0.000 2.539 126 H HA 0.391 4.947 4.556 0.000 0.000 0.267 126 H C 1.088 176.360 175.328 -0.093 0.000 0.982 126 H CA 0.345 56.305 56.048 -0.147 0.000 1.146 126 H CB -0.387 29.320 29.762 -0.091 0.000 1.382 126 H HN 0.450 nan 8.280 nan 0.000 0.577 127 L N -0.038 120.886 121.223 -0.498 0.000 2.766 127 L HA 0.246 4.586 4.340 0.000 0.000 0.241 127 L C 0.338 177.130 176.870 -0.130 0.000 1.080 127 L CA 0.147 54.781 54.840 -0.343 0.000 0.909 127 L CB 0.625 42.400 42.059 -0.474 0.000 1.277 127 L HN 0.242 nan 8.230 nan 0.000 0.510 128 E N -1.419 118.741 120.200 -0.066 0.000 2.454 128 E HA 0.453 4.803 4.350 0.000 0.000 0.279 128 E C -1.632 175.063 176.600 0.158 0.000 1.029 128 E CA -0.919 55.511 56.400 0.049 0.000 0.831 128 E CB 1.992 31.720 29.700 0.047 0.000 1.405 128 E HN -0.148 nan 8.360 nan 0.000 0.463 129 c N 0.424 119.127 118.600 0.172 0.000 2.455 129 c HA 0.702 5.272 4.570 0.000 0.000 0.320 129 c C -0.441 173.706 174.090 0.095 0.000 1.226 129 c CA -0.546 55.915 56.329 0.220 0.000 1.569 129 c CB 0.738 43.402 42.510 0.257 0.000 2.200 129 c HN 0.577 nan 8.230 nan 0.000 0.491 130 R N 0.808 121.346 120.500 0.064 0.000 2.807 130 R HA 0.669 5.009 4.340 0.000 0.000 0.276 130 R C -0.933 175.190 176.300 -0.294 0.000 0.979 130 R CA -0.490 55.478 56.100 -0.220 0.000 0.928 130 R CB 1.947 31.930 30.300 -0.529 0.000 1.191 130 R HN 0.624 nan 8.270 nan 0.000 0.471 131 T N 2.441 116.752 114.554 -0.405 0.000 2.767 131 T HA 0.446 4.796 4.350 0.000 0.000 0.284 131 T C -0.831 173.528 174.700 -0.568 0.000 0.973 131 T CA -0.179 61.699 62.100 -0.369 0.000 0.996 131 T CB 0.211 68.937 68.868 -0.236 0.000 0.927 131 T HN 0.163 nan 8.240 nan 0.000 0.456 132 F N 3.931 123.430 119.950 -0.753 0.000 2.470 132 F HA 0.780 5.307 4.527 0.000 0.000 0.329 132 F C -0.017 175.325 175.800 -0.764 0.000 1.072 132 F CA -1.221 56.203 58.000 -0.960 0.000 0.989 132 F CB 1.176 39.315 39.000 -1.434 0.000 1.193 132 F HN 0.576 nan 8.300 nan 0.000 0.481 133 F N -0.574 119.136 119.950 -0.399 0.000 2.741 133 F HA 0.754 5.281 4.527 0.000 0.000 0.313 133 F C -2.332 173.370 175.800 -0.162 0.000 1.153 133 F CA -1.633 56.211 58.000 -0.260 0.000 0.931 133 F CB 1.098 39.955 39.000 -0.238 0.000 1.335 133 F HN 0.202 nan 8.300 nan 0.000 0.460 134 L N 1.874 123.163 121.223 0.109 0.000 2.329 134 L HA 0.794 5.134 4.340 0.000 0.000 0.279 134 L C -0.427 176.507 176.870 0.108 0.000 1.014 134 L CA -0.738 54.121 54.840 0.032 0.000 0.814 134 L CB 2.332 44.440 42.059 0.081 0.000 1.257 134 L HN 0.961 nan 8.230 nan 0.000 0.424 135 T N -1.999 112.557 114.554 0.004 0.000 2.893 135 T HA 0.285 4.635 4.350 0.000 0.000 0.291 135 T C 0.205 174.909 174.700 0.006 0.000 1.028 135 T CA -0.816 61.274 62.100 -0.018 0.000 0.995 135 T CB 2.265 70.968 68.868 -0.275 0.000 1.051 135 T HN 0.434 nan 8.240 nan 0.000 0.470 136 Q N 0.723 120.558 119.800 0.059 0.000 2.444 136 Q HA 0.186 4.527 4.340 0.000 0.000 0.206 136 Q C 1.323 177.376 176.000 0.088 0.000 0.948 136 Q CA 0.933 56.802 55.803 0.110 0.000 0.946 136 Q CB 0.176 28.991 28.738 0.127 0.000 1.027 136 Q HN 1.313 nan 8.270 nan 0.000 0.513 137 G N 0.708 109.526 108.800 0.030 0.000 2.303 137 G HA2 -0.132 3.828 3.960 0.000 0.000 0.260 137 G HA3 -0.132 3.828 3.960 0.000 0.000 0.260 137 G C -0.156 174.803 174.900 0.098 0.000 1.106 137 G CA 0.253 45.378 45.100 0.042 0.000 0.900 137 G HN 0.525 nan 8.290 nan 0.000 0.495 138 A N -0.487 122.440 122.820 0.179 0.000 2.539 138 A HA 0.908 5.228 4.320 0.000 0.000 0.296 138 A C -0.252 177.431 177.584 0.164 0.000 1.073 138 A CA -0.773 51.352 52.037 0.147 0.000 0.700 138 A CB 1.442 20.521 19.000 0.132 0.000 1.296 138 A HN 0.823 nan 8.150 nan 0.000 0.405 139 L N 1.303 122.556 121.223 0.050 0.000 2.344 139 L HA 0.474 4.814 4.340 0.000 0.000 0.272 139 L C -0.178 176.629 176.870 -0.105 0.000 1.035 139 L CA -0.793 54.012 54.840 -0.059 0.000 0.807 139 L CB 1.354 43.331 42.059 -0.136 0.000 1.237 139 L HN 0.651 nan 8.230 nan 0.000 0.442 140 L N 2.304 123.422 121.223 -0.175 0.000 2.483 140 L HA 0.012 4.352 4.340 0.000 0.000 0.276 140 L C 0.946 177.701 176.870 -0.192 0.000 1.213 140 L CA 0.255 54.921 54.840 -0.290 0.000 0.843 140 L CB -0.036 41.861 42.059 -0.270 0.000 1.107 140 L HN 0.752 nan 8.230 nan 0.000 0.487 141 N N 0.967 119.532 118.700 -0.226 0.000 2.741 141 N HA -0.201 4.539 4.740 0.000 0.000 0.250 141 N C -0.784 174.694 175.510 -0.054 0.000 1.115 141 N CA 1.045 54.055 53.050 -0.066 0.000 0.724 141 N CB -0.774 37.698 38.487 -0.025 0.000 1.090 141 N HN 0.765 nan 8.380 nan 0.000 0.558 142 D N -0.519 119.841 120.400 -0.066 0.000 2.575 142 D HA 0.299 4.939 4.640 0.000 0.000 0.236 142 D C 1.292 177.582 176.300 -0.016 0.000 1.075 142 D CA -0.531 53.460 54.000 -0.016 0.000 0.860 142 D CB 0.974 41.791 40.800 0.027 0.000 1.475 142 D HN 0.143 nan 8.370 nan 0.000 0.474 143 K N 1.707 122.071 120.400 -0.059 0.000 2.218 143 K HA -0.215 4.105 4.320 0.000 0.000 0.205 143 K C 0.843 177.353 176.600 -0.150 0.000 1.046 143 K CA 1.228 57.443 56.287 -0.120 0.000 0.933 143 K CB -0.208 32.169 32.500 -0.206 0.000 0.728 143 K HN 0.493 nan 8.250 nan 0.000 0.454 144 H N 1.115 120.192 119.070 0.011 0.000 2.559 144 H HA 0.022 4.578 4.556 0.000 0.000 0.273 144 H C 1.441 176.788 175.328 0.031 0.000 1.000 144 H CA 1.263 57.318 56.048 0.013 0.000 1.195 144 H CB 0.256 30.015 29.762 -0.006 0.000 1.368 144 H HN 0.480 nan 8.280 nan 0.000 0.592 145 S N 0.172 115.941 115.700 0.115 0.000 2.710 145 S HA -0.047 4.423 4.470 0.000 0.000 0.224 145 S C 1.536 176.235 174.600 0.165 0.000 0.948 145 S CA -0.330 57.937 58.200 0.112 0.000 0.949 145 S CB -0.179 63.022 63.200 0.002 0.000 0.778 145 S HN 0.240 nan 8.310 nan 0.000 0.498 146 N N 2.378 121.152 118.700 0.124 0.000 2.322 146 N HA -0.165 4.575 4.740 0.000 0.000 0.189 146 N C 1.656 177.233 175.510 0.112 0.000 1.012 146 N CA 1.395 54.510 53.050 0.109 0.000 0.880 146 N CB -1.040 37.484 38.487 0.062 0.000 0.967 146 N HN 0.793 nan 8.380 nan 0.000 0.439 147 G N -0.642 108.231 108.800 0.121 0.000 2.230 147 G HA2 -0.390 3.570 3.960 0.000 0.000 0.270 147 G HA3 -0.390 3.570 3.960 0.000 0.000 0.270 147 G C 1.004 175.937 174.900 0.055 0.000 0.987 147 G CA 1.723 46.881 45.100 0.096 0.000 0.664 147 G HN 0.598 nan 8.290 nan 0.000 0.539 148 T N -1.910 112.673 114.554 0.048 0.000 3.113 148 T HA 0.413 4.763 4.350 0.000 0.000 0.256 148 T C 1.186 175.904 174.700 0.030 0.000 1.131 148 T CA 0.496 62.611 62.100 0.026 0.000 1.074 148 T CB 0.284 69.164 68.868 0.020 0.000 0.944 148 T HN 0.523 nan 8.240 nan 0.000 0.516 149 V N 2.946 122.890 119.914 0.050 0.000 2.999 149 V HA 0.120 4.240 4.120 0.000 0.000 0.307 149 V C 0.716 176.826 176.094 0.025 0.000 1.084 149 V CA -1.036 61.296 62.300 0.053 0.000 1.155 149 V CB 0.140 32.021 31.823 0.096 0.000 0.975 149 V HN 0.622 nan 8.190 nan 0.000 0.490 150 K N 2.811 123.212 120.400 0.002 0.000 2.485 150 K HA 0.058 4.378 4.320 0.000 0.000 0.277 150 K C 0.491 177.068 176.600 -0.038 0.000 0.990 150 K CA -0.194 56.070 56.287 -0.038 0.000 0.994 150 K CB 0.363 32.818 32.500 -0.075 0.000 0.906 150 K HN 0.551 nan 8.250 nan 0.000 0.488 151 D N 1.922 122.289 120.400 -0.055 0.000 2.116 151 D HA -0.167 4.473 4.640 0.000 0.000 0.193 151 D C 0.205 176.468 176.300 -0.062 0.000 0.998 151 D CA 1.574 55.553 54.000 -0.035 0.000 0.836 151 D CB 0.124 40.902 40.800 -0.035 0.000 0.951 151 D HN 0.493 nan 8.370 nan 0.000 0.449 152 R N 1.263 121.615 120.500 -0.245 0.000 2.870 152 R HA 0.185 4.525 4.340 0.000 0.000 0.254 152 R C 0.105 176.242 176.300 -0.272 0.000 1.392 152 R CA -0.242 55.553 56.100 -0.509 0.000 1.322 152 R CB 0.691 30.159 30.300 -1.386 0.000 1.205 152 R HN 0.021 nan 8.270 nan 0.000 0.597 153 S N 0.844 116.531 115.700 -0.022 0.000 2.690 153 S HA 0.430 4.900 4.470 0.000 0.000 0.291 153 S C -1.637 172.973 174.600 0.017 0.000 1.138 153 S CA -1.458 56.724 58.200 -0.030 0.000 1.013 153 S CB 1.633 64.832 63.200 -0.002 0.000 1.053 153 S HN 0.244 nan 8.310 nan 0.000 0.539 154 P HA 0.079 nan 4.420 nan 0.000 0.247 154 P C 0.065 177.262 177.300 -0.173 0.000 1.225 154 P CA 0.728 63.746 63.100 -0.138 0.000 0.768 154 P CB -0.490 31.095 31.700 -0.192 0.000 1.020 155 H N -1.933 117.197 119.070 0.100 0.000 2.648 155 H HA 0.238 4.794 4.556 0.000 0.000 0.265 155 H C 0.879 176.249 175.328 0.070 0.000 0.961 155 H CA -0.540 55.550 56.048 0.069 0.000 1.185 155 H CB 0.235 30.028 29.762 0.052 0.000 1.449 155 H HN -0.086 nan 8.280 nan 0.000 0.523 156 R N 2.495 123.101 120.500 0.177 0.000 2.449 156 R HA 0.078 4.418 4.340 0.000 0.000 0.296 156 R C -0.372 175.978 176.300 0.082 0.000 1.047 156 R CA 0.337 56.520 56.100 0.140 0.000 1.018 156 R CB 0.223 30.647 30.300 0.207 0.000 0.962 156 R HN 0.274 nan 8.270 nan 0.000 0.428 157 T N 1.571 116.133 114.554 0.014 0.000 2.900 157 T HA 0.461 4.811 4.350 0.000 0.000 0.295 157 T C -0.946 173.627 174.700 -0.211 0.000 1.044 157 T CA -1.048 61.027 62.100 -0.041 0.000 0.995 157 T CB 1.372 70.292 68.868 0.086 0.000 1.072 157 T HN 0.349 nan 8.240 nan 0.000 0.473 158 L N 2.949 123.972 121.223 -0.333 0.000 2.276 158 L HA 0.769 5.109 4.340 0.000 0.000 0.286 158 L C -0.748 175.727 176.870 -0.659 0.000 1.061 158 L CA -0.255 54.334 54.840 -0.418 0.000 0.807 158 L CB 0.399 42.282 42.059 -0.294 0.000 1.177 158 L HN 0.833 nan 8.230 nan 0.000 0.429 159 M N 3.479 122.536 119.600 -0.904 0.000 2.618 159 M HA 0.585 5.065 4.480 0.000 0.000 0.281 159 M C -0.760 174.744 176.300 -1.326 0.000 1.267 159 M CA -0.660 54.022 55.300 -1.029 0.000 0.845 159 M CB 2.581 34.629 32.600 -0.921 0.000 1.732 159 M HN 0.690 nan 8.290 nan 0.000 0.461 160 S N 0.318 115.452 115.700 -0.942 0.000 2.595 160 S HA 0.927 5.397 4.470 0.000 0.000 0.281 160 S C -0.891 173.451 174.600 -0.430 0.000 1.117 160 S CA -0.740 56.889 58.200 -0.951 0.000 0.873 160 S CB 1.987 64.147 63.200 -1.734 0.000 1.108 160 S HN 1.116 nan 8.310 nan 0.000 0.477 161 C N -0.907 118.213 119.300 -0.301 0.000 3.288 161 C HA 0.850 5.310 4.460 0.000 0.000 0.318 161 C C -3.065 171.798 174.990 -0.213 0.000 1.356 161 C CA -1.960 56.964 59.018 -0.157 0.000 1.359 161 C CB 1.057 28.794 27.740 -0.003 0.000 1.688 161 C HN 0.747 nan 8.230 nan 0.000 0.467 162 P HA 0.157 nan 4.420 nan 0.000 0.269 162 P C -0.008 177.203 177.300 -0.147 0.000 1.209 162 P CA 0.479 63.494 63.100 -0.142 0.000 0.776 162 P CB 0.391 32.032 31.700 -0.099 0.000 0.876 163 V N 2.292 122.118 119.914 -0.146 0.000 2.617 163 V HA 0.214 4.334 4.120 0.000 0.000 0.304 163 V C 1.875 177.864 176.094 -0.175 0.000 1.040 163 V CA 1.843 64.046 62.300 -0.162 0.000 1.149 163 V CB -0.586 31.149 31.823 -0.145 0.000 0.914 163 V HN 1.081 nan 8.190 nan 0.000 0.487 164 G N 3.514 112.214 108.800 -0.167 0.000 2.241 164 G HA2 -0.208 3.752 3.960 0.000 0.000 0.244 164 G HA3 -0.208 3.752 3.960 0.000 0.000 0.244 164 G C 0.072 174.898 174.900 -0.122 0.000 0.998 164 G CA 0.203 45.211 45.100 -0.154 0.000 0.621 164 G HN 0.673 nan 8.290 nan 0.000 0.519 165 E N 0.708 120.835 120.200 -0.123 0.000 2.319 165 E HA 0.615 4.965 4.350 0.000 0.000 0.268 165 E C 0.622 177.144 176.600 -0.129 0.000 1.050 165 E CA -0.091 56.244 56.400 -0.109 0.000 0.878 165 E CB 1.279 30.920 29.700 -0.097 0.000 1.066 165 E HN 0.636 nan 8.360 nan 0.000 0.406 166 A N 3.983 126.730 122.820 -0.122 0.000 2.450 166 A HA 0.224 4.544 4.320 0.000 0.000 0.255 166 A C -2.090 175.374 177.584 -0.200 0.000 1.096 166 A CA -1.247 50.697 52.037 -0.156 0.000 0.778 166 A CB -0.140 18.782 19.000 -0.130 0.000 1.031 166 A HN 0.350 nan 8.150 nan 0.000 0.494 167 P HA 0.095 nan 4.420 nan 0.000 0.274 167 P C 0.082 177.244 177.300 -0.231 0.000 1.291 167 P CA 0.382 63.274 63.100 -0.345 0.000 0.815 167 P CB 1.120 32.188 31.700 -1.053 0.000 0.897 168 S N 3.691 119.254 115.700 -0.228 0.000 4.149 168 S HA 0.178 4.648 4.470 0.000 0.000 0.195 168 S C 1.076 175.338 174.600 -0.563 0.000 1.092 168 S CA -0.132 57.714 58.200 -0.591 0.000 1.650 168 S CB -0.661 62.229 63.200 -0.516 0.000 1.076 168 S HN 0.393 nan 8.310 nan 0.000 0.805 169 Y N 2.535 122.775 120.300 -0.100 0.000 4.839 169 Y HA -0.303 4.247 4.550 0.000 0.000 0.216 169 Y C 1.467 177.344 175.900 -0.037 0.000 0.984 169 Y CA 1.133 59.195 58.100 -0.062 0.000 1.912 169 Y CB -1.517 36.893 38.460 -0.084 0.000 1.584 169 Y HN 0.797 nan 8.280 nan 0.000 0.534 170 N N -1.365 117.383 118.700 0.080 0.000 2.113 170 N HA 0.061 4.801 4.740 0.000 0.000 0.223 170 N C -0.472 175.064 175.510 0.045 0.000 1.310 170 N CA 0.357 53.434 53.050 0.046 0.000 0.896 170 N CB 0.204 38.695 38.487 0.008 0.000 1.097 170 N HN 0.044 nan 8.380 nan 0.000 0.507 171 S N 0.901 116.666 115.700 0.108 0.000 2.585 171 S HA 0.342 4.812 4.470 0.000 0.000 0.277 171 S C -0.186 174.455 174.600 0.069 0.000 1.241 171 S CA -0.738 57.548 58.200 0.142 0.000 1.041 171 S CB 2.125 65.570 63.200 0.410 0.000 0.987 171 S HN 0.288 nan 8.310 nan 0.000 0.512 172 R N 1.614 122.081 120.500 -0.055 0.000 2.368 172 R HA 0.345 4.685 4.340 0.000 0.000 0.302 172 R C -0.934 175.314 176.300 -0.086 0.000 1.002 172 R CA -0.553 55.510 56.100 -0.062 0.000 0.929 172 R CB 0.509 30.722 30.300 -0.145 0.000 1.073 172 R HN 0.579 nan 8.270 nan 0.000 0.464 173 F N 3.340 123.223 119.950 -0.112 0.000 2.471 173 F HA 0.124 4.651 4.527 0.000 0.000 0.353 173 F C 0.568 176.282 175.800 -0.143 0.000 1.113 173 F CA 0.297 58.218 58.000 -0.133 0.000 1.262 173 F CB 1.027 39.980 39.000 -0.078 0.000 1.146 173 F HN 0.659 nan 8.300 nan 0.000 0.578 174 E N 2.060 121.539 120.200 -1.201 0.000 2.444 174 E HA 0.160 4.510 4.350 0.000 0.000 0.203 174 E C -0.223 175.846 176.600 -0.885 0.000 0.847 174 E CA 0.336 56.276 56.400 -0.767 0.000 1.142 174 E CB 0.671 30.089 29.700 -0.471 0.000 1.125 174 E HN 0.463 nan 8.360 nan 0.000 0.521 175 S N -0.474 114.473 115.700 -1.254 0.000 2.611 175 S HA 0.286 4.756 4.470 0.000 0.000 0.270 175 S C -1.663 172.754 174.600 -0.306 0.000 1.131 175 S CA -0.619 57.246 58.200 -0.558 0.000 0.826 175 S CB 1.293 64.329 63.200 -0.273 0.000 1.095 175 S HN -0.107 nan 8.310 nan 0.000 0.461 176 V N 2.504 122.444 119.914 0.044 0.000 2.408 176 V HA 0.806 4.926 4.120 0.000 0.000 0.267 176 V C 0.463 176.501 176.094 -0.093 0.000 1.047 176 V CA 0.656 62.998 62.300 0.070 0.000 0.937 176 V CB 0.082 31.971 31.823 0.111 0.000 0.999 176 V HN 1.143 nan 8.190 nan 0.000 0.472 177 A N 5.387 128.139 122.820 -0.114 0.000 2.594 177 A HA 0.585 4.905 4.320 0.000 0.000 0.296 177 A C -0.364 177.167 177.584 -0.089 0.000 1.056 177 A CA -0.709 51.185 52.037 -0.238 0.000 0.693 177 A CB 1.041 19.893 19.000 -0.247 0.000 1.278 177 A HN 0.929 nan 8.150 nan 0.000 0.408 178 W N 1.019 122.321 121.300 0.003 0.000 3.127 178 W HA 0.534 5.194 4.660 0.000 0.000 0.344 178 W C 0.109 176.650 176.519 0.037 0.000 1.151 178 W CA 0.369 57.725 57.345 0.018 0.000 1.765 178 W CB 0.150 29.618 29.460 0.013 0.000 1.085 178 W HN 0.928 nan 8.180 nan 0.000 0.596 179 S N 0.722 116.479 115.700 0.096 0.000 2.535 179 S HA 0.703 5.173 4.470 0.000 0.000 0.272 179 S C -1.000 173.577 174.600 -0.038 0.000 1.149 179 S CA 0.194 58.466 58.200 0.120 0.000 0.888 179 S CB 1.297 64.616 63.200 0.198 0.000 1.110 179 S HN 0.458 nan 8.310 nan 0.000 0.463 180 A N 2.036 124.872 122.820 0.027 0.000 2.483 180 A HA 0.917 5.237 4.320 0.000 0.000 0.294 180 A C -0.714 176.845 177.584 -0.042 0.000 1.077 180 A CA -0.093 51.934 52.037 -0.018 0.000 0.633 180 A CB 0.631 19.627 19.000 -0.007 0.000 1.318 180 A HN 2.075 nan 8.150 nan 0.000 0.455 181 S N -1.108 114.552 115.700 -0.068 0.000 2.656 181 S HA 1.029 5.499 4.470 0.000 0.000 0.273 181 S C -0.603 173.957 174.600 -0.066 0.000 1.168 181 S CA -0.007 58.081 58.200 -0.187 0.000 0.817 181 S CB 1.232 64.335 63.200 -0.163 0.000 1.146 181 S HN 2.690 nan 8.310 nan 0.000 0.475 182 A N -0.293 122.477 122.820 -0.083 0.000 2.599 182 A HA 0.838 5.159 4.320 0.000 0.000 0.294 182 A C -0.663 176.969 177.584 0.079 0.000 1.055 182 A CA -0.337 51.636 52.037 -0.106 0.000 0.683 182 A CB 0.531 19.127 19.000 -0.674 0.000 1.278 182 A HN 2.521 nan 8.150 nan 0.000 0.412 183 c N -0.299 118.463 118.600 0.270 0.000 3.302 183 c HA 0.806 5.376 4.570 0.000 0.000 0.347 183 c C -0.823 173.434 174.090 0.279 0.000 1.218 183 c CA -0.760 55.782 56.329 0.356 0.000 1.234 183 c CB 0.405 43.057 42.510 0.237 0.000 1.551 183 c HN 1.347 nan 8.230 nan 0.000 0.501 184 H N 0.792 119.779 119.070 -0.138 0.000 2.457 184 H HA 0.558 5.114 4.556 0.000 0.000 0.335 184 H C 0.609 175.838 175.328 -0.165 0.000 1.115 184 H CA 0.207 55.979 56.048 -0.461 0.000 1.219 184 H CB 1.491 30.536 29.762 -1.196 0.000 1.471 184 H HN 0.841 nan 8.280 nan 0.000 0.491 185 D N 2.342 122.654 120.400 -0.147 0.000 2.349 185 D HA 0.146 4.786 4.640 0.000 0.000 0.214 185 D C 1.400 177.723 176.300 0.038 0.000 1.063 185 D CA 0.623 54.628 54.000 0.008 0.000 0.847 185 D CB 0.520 41.339 40.800 0.032 0.000 0.933 185 D HN 0.840 nan 8.370 nan 0.000 0.513 186 G N -0.952 107.945 108.800 0.162 0.000 2.316 186 G HA2 -0.263 3.698 3.960 0.000 0.000 0.203 186 G HA3 -0.263 3.698 3.960 0.000 0.000 0.203 186 G C 1.144 175.969 174.900 -0.125 0.000 0.999 186 G CA 0.381 45.500 45.100 0.031 0.000 0.649 186 G HN 0.370 nan 8.290 nan 0.000 0.489 187 T N -0.019 114.445 114.554 -0.150 0.000 3.111 187 T HA 0.522 4.872 4.350 0.000 0.000 0.236 187 T C 0.924 175.439 174.700 -0.309 0.000 0.984 187 T CA 1.468 63.484 62.100 -0.140 0.000 1.195 187 T CB 0.338 69.176 68.868 -0.050 0.000 0.929 187 T HN 0.415 nan 8.240 nan 0.000 0.431 188 S N -0.856 114.394 115.700 -0.750 0.000 2.697 188 S HA 0.568 5.038 4.470 0.000 0.000 0.289 188 S C -1.820 172.084 174.600 -1.159 0.000 1.149 188 S CA -0.968 56.677 58.200 -0.925 0.000 0.850 188 S CB 1.296 63.896 63.200 -1.000 0.000 1.151 188 S HN 0.377 nan 8.310 nan 0.000 0.491 189 W N 1.431 122.427 121.300 -0.507 0.000 2.313 189 W HA 0.611 5.271 4.660 0.000 0.000 0.328 189 W C -0.415 175.999 176.519 -0.176 0.000 1.197 189 W CA -0.284 56.956 57.345 -0.175 0.000 1.235 189 W CB 0.664 30.169 29.460 0.076 0.000 1.158 189 W HN 0.343 nan 8.180 nan 0.000 0.578 190 L N 3.759 125.146 121.223 0.273 0.000 2.333 190 L HA 0.701 5.041 4.340 0.000 0.000 0.280 190 L C -0.166 176.808 176.870 0.173 0.000 1.004 190 L CA -0.327 54.654 54.840 0.235 0.000 0.820 190 L CB 1.204 43.397 42.059 0.223 0.000 1.247 190 L HN 0.407 nan 8.230 nan 0.000 0.416 191 T N 2.769 117.384 114.554 0.101 0.000 2.893 191 T HA 0.786 5.136 4.350 0.000 0.000 0.291 191 T C -0.402 174.288 174.700 -0.017 0.000 1.028 191 T CA -0.535 61.574 62.100 0.015 0.000 0.995 191 T CB 1.363 70.222 68.868 -0.015 0.000 1.051 191 T HN 0.503 nan 8.240 nan 0.000 0.470 192 I N 1.669 122.207 120.570 -0.053 0.000 2.468 192 I HA 0.590 4.760 4.170 0.000 0.000 0.284 192 I C 0.295 176.343 176.117 -0.115 0.000 1.038 192 I CA -0.788 60.462 61.300 -0.084 0.000 1.083 192 I CB 1.919 39.865 38.000 -0.089 0.000 1.223 192 I HN 0.989 nan 8.210 nan 0.000 0.443 193 G N 7.078 115.790 108.800 -0.146 0.000 2.530 193 G HA2 0.770 4.730 3.960 0.000 0.000 0.316 193 G HA3 0.770 4.730 3.960 0.000 0.000 0.316 193 G C -0.850 173.881 174.900 -0.282 0.000 1.298 193 G CA -0.438 44.544 45.100 -0.197 0.000 0.948 193 G HN 0.446 nan 8.290 nan 0.000 0.486 194 I N 1.623 121.932 120.570 -0.435 0.000 2.359 194 I HA 0.556 4.726 4.170 0.000 0.000 0.294 194 I C 0.382 175.836 176.117 -1.104 0.000 0.987 194 I CA -0.330 60.564 61.300 -0.678 0.000 1.225 194 I CB 1.938 39.467 38.000 -0.786 0.000 1.366 194 I HN 0.485 nan 8.210 nan 0.000 0.466 195 S N 3.067 118.281 115.700 -0.810 0.000 2.794 195 S HA 0.947 5.417 4.470 0.000 0.000 0.299 195 S C -0.465 174.066 174.600 -0.115 0.000 1.179 195 S CA 0.159 57.976 58.200 -0.637 0.000 0.838 195 S CB 1.755 64.798 63.200 -0.262 0.000 1.206 195 S HN 1.192 nan 8.310 nan 0.000 0.523 196 G N 1.368 110.286 108.800 0.197 0.000 2.661 196 G HA2 0.002 3.962 3.960 0.000 0.000 0.685 196 G HA3 0.002 3.962 3.960 0.000 0.000 0.685 196 G C -3.274 171.829 174.900 0.339 0.000 1.298 196 G CA -0.452 44.773 45.100 0.208 0.000 0.855 196 G HN 0.650 nan 8.290 nan 0.000 0.560 197 P HA 0.283 nan 4.420 nan 0.000 0.272 197 P C 0.027 177.391 177.300 0.107 0.000 1.240 197 P CA -0.025 63.137 63.100 0.103 0.000 0.791 197 P CB 0.698 32.427 31.700 0.049 0.000 0.978 198 D N 0.693 121.091 120.400 -0.004 0.000 2.178 198 D HA -0.136 4.504 4.640 0.000 0.000 0.201 198 D C 1.246 177.541 176.300 -0.008 0.000 0.980 198 D CA 1.414 55.391 54.000 -0.038 0.000 0.842 198 D CB -0.641 40.086 40.800 -0.121 0.000 0.948 198 D HN 0.521 nan 8.370 nan 0.000 0.472 199 N N -0.212 118.483 118.700 -0.007 0.000 2.362 199 N HA 0.114 4.855 4.740 0.000 0.000 0.204 199 N C 0.690 176.200 175.510 0.001 0.000 1.166 199 N CA 0.269 53.310 53.050 -0.014 0.000 0.831 199 N CB 0.356 38.832 38.487 -0.017 0.000 1.008 199 N HN 0.075 nan 8.380 nan 0.000 0.472 200 G N -1.614 107.203 108.800 0.027 0.000 5.005 200 G HA2 0.402 4.362 3.960 0.000 0.000 0.222 200 G HA3 0.402 4.362 3.960 0.000 0.000 0.222 200 G C -0.283 174.651 174.900 0.056 0.000 1.437 200 G CA -0.167 44.951 45.100 0.030 0.000 0.894 200 G HN 0.502 nan 8.290 nan 0.000 0.394 201 A N -0.159 122.721 122.820 0.101 0.000 2.520 201 A HA 0.604 4.924 4.320 0.000 0.000 0.235 201 A C 0.202 177.789 177.584 0.005 0.000 1.065 201 A CA 0.200 52.309 52.037 0.121 0.000 0.764 201 A CB 1.314 20.485 19.000 0.285 0.000 1.002 201 A HN 1.327 nan 8.150 nan 0.000 0.502 202 V N 1.888 121.770 119.914 -0.055 0.000 2.531 202 V HA 0.641 4.761 4.120 0.000 0.000 0.301 202 V C 0.272 176.282 176.094 -0.141 0.000 1.034 202 V CA -0.015 62.244 62.300 -0.069 0.000 0.865 202 V CB 1.442 33.243 31.823 -0.036 0.000 0.995 202 V HN 1.444 nan 8.190 nan 0.000 0.424 203 A N 6.324 129.063 122.820 -0.135 0.000 2.276 203 A HA 0.701 5.021 4.320 0.000 0.000 0.300 203 A C -0.508 176.999 177.584 -0.128 0.000 1.235 203 A CA -0.327 51.607 52.037 -0.173 0.000 0.867 203 A CB 0.870 19.755 19.000 -0.193 0.000 1.137 203 A HN 0.918 nan 8.150 nan 0.000 0.527 204 V N 4.996 124.837 119.914 -0.123 0.000 2.350 204 V HA 0.243 4.363 4.120 0.000 0.000 0.276 204 V C 0.019 176.072 176.094 -0.069 0.000 1.028 204 V CA -0.230 62.023 62.300 -0.078 0.000 0.860 204 V CB 0.951 32.739 31.823 -0.059 0.000 0.990 204 V HN 0.730 nan 8.190 nan 0.000 0.453 205 L N 5.763 126.956 121.223 -0.050 0.000 2.292 205 L HA 0.572 4.912 4.340 0.000 0.000 0.284 205 L C 0.057 176.937 176.870 0.016 0.000 1.065 205 L CA -0.443 54.380 54.840 -0.027 0.000 0.806 205 L CB 1.067 43.106 42.059 -0.034 0.000 1.175 205 L HN 0.550 nan 8.230 nan 0.000 0.431 206 K N 3.136 123.563 120.400 0.045 0.000 2.316 206 K HA 0.437 4.757 4.320 0.000 0.000 0.251 206 K C -1.588 175.114 176.600 0.171 0.000 0.934 206 K CA -0.702 55.636 56.287 0.085 0.000 0.802 206 K CB 2.713 35.244 32.500 0.051 0.000 1.171 206 K HN 0.372 nan 8.250 nan 0.000 0.426 207 Y N 3.086 123.400 120.300 0.023 0.000 2.326 207 Y HA 0.131 4.681 4.550 0.000 0.000 0.331 207 Y C 0.127 176.055 175.900 0.046 0.000 0.962 207 Y CA -0.437 57.679 58.100 0.027 0.000 1.167 207 Y CB 0.916 39.375 38.460 -0.002 0.000 1.148 207 Y HN 0.763 nan 8.280 nan 0.000 0.463 208 N N 4.264 122.842 118.700 -0.203 0.000 2.740 208 N HA -0.209 4.531 4.740 0.000 0.000 0.248 208 N C 0.744 176.264 175.510 0.016 0.000 1.062 208 N CA 1.655 54.641 53.050 -0.107 0.000 0.704 208 N CB -1.094 37.299 38.487 -0.157 0.000 0.968 208 N HN 1.389 nan 8.380 nan 0.000 0.547 209 G N -0.638 108.189 108.800 0.046 0.000 2.234 209 G HA2 -0.315 3.645 3.960 0.000 0.000 0.260 209 G HA3 -0.315 3.645 3.960 0.000 0.000 0.260 209 G C 0.295 175.237 174.900 0.069 0.000 0.987 209 G CA 0.639 45.774 45.100 0.059 0.000 0.625 209 G HN 1.025 nan 8.290 nan 0.000 0.532 210 I N -0.473 120.143 120.570 0.077 0.000 2.404 210 I HA 0.711 4.881 4.170 0.000 0.000 0.293 210 I C 0.569 176.736 176.117 0.083 0.000 0.992 210 I CA -1.601 59.745 61.300 0.077 0.000 1.149 210 I CB 1.184 39.229 38.000 0.074 0.000 1.315 210 I HN 0.042 nan 8.210 nan 0.000 0.446 211 I N 6.093 126.699 120.570 0.060 0.000 2.742 211 I HA -0.049 4.121 4.170 0.000 0.000 0.287 211 I C 1.186 177.328 176.117 0.042 0.000 1.186 211 I CA 0.556 61.883 61.300 0.045 0.000 1.417 211 I CB 0.746 38.763 38.000 0.028 0.000 1.377 211 I HN 0.847 nan 8.210 nan 0.000 0.556 212 T N -0.266 114.310 114.554 0.037 0.000 2.975 212 T HA 0.253 4.603 4.350 0.000 0.000 0.257 212 T C 0.102 174.795 174.700 -0.012 0.000 1.003 212 T CA -0.276 61.833 62.100 0.014 0.000 0.932 212 T CB 0.458 69.332 68.868 0.010 0.000 1.087 212 T HN 0.589 nan 8.240 nan 0.000 0.512 213 D N -0.739 119.654 120.400 -0.012 0.000 2.755 213 D HA 0.455 5.095 4.640 0.000 0.000 0.277 213 D C -1.763 174.521 176.300 -0.026 0.000 1.261 213 D CA -0.141 53.847 54.000 -0.021 0.000 0.759 213 D CB 1.903 42.684 40.800 -0.032 0.000 1.279 213 D HN -0.043 nan 8.370 nan 0.000 0.420 214 T N 1.007 115.546 114.554 -0.024 0.000 2.933 214 T HA 0.677 5.027 4.350 0.000 0.000 0.305 214 T C -0.829 173.858 174.700 -0.021 0.000 1.092 214 T CA -0.389 61.693 62.100 -0.030 0.000 1.008 214 T CB 0.806 69.665 68.868 -0.016 0.000 1.102 214 T HN 0.228 nan 8.240 nan 0.000 0.469 215 I N 3.169 123.716 120.570 -0.039 0.000 2.447 215 I HA 0.428 4.598 4.170 0.000 0.000 0.287 215 I C -0.116 176.021 176.117 0.033 0.000 1.023 215 I CA -0.879 60.420 61.300 -0.002 0.000 1.083 215 I CB 2.031 39.963 38.000 -0.112 0.000 1.245 215 I HN 0.286 nan 8.210 nan 0.000 0.434 216 K N 3.097 123.554 120.400 0.096 0.000 2.098 216 K HA 0.366 4.686 4.320 0.000 0.000 0.261 216 K C 0.179 176.879 176.600 0.167 0.000 0.987 216 K CA -0.377 55.967 56.287 0.095 0.000 0.916 216 K CB 1.485 34.037 32.500 0.087 0.000 1.039 216 K HN 0.544 nan 8.250 nan 0.000 0.455 217 S N 1.224 116.960 115.700 0.061 0.000 2.558 217 S HA -0.023 4.447 4.470 0.000 0.000 0.288 217 S C 0.123 174.758 174.600 0.058 0.000 1.318 217 S CA -0.051 58.113 58.200 -0.061 0.000 1.056 217 S CB 0.191 63.331 63.200 -0.100 0.000 0.853 217 S HN 0.691 nan 8.310 nan 0.000 0.505 218 W N 4.544 125.861 121.300 0.029 0.000 2.862 218 W HA 0.568 5.228 4.660 0.000 0.000 0.376 218 W C 0.925 177.443 176.519 -0.002 0.000 1.028 218 W CA -0.649 56.706 57.345 0.016 0.000 1.757 218 W CB 0.282 29.754 29.460 0.020 0.000 1.128 218 W HN 0.469 nan 8.180 nan 0.000 0.566 219 R N 0.801 121.098 120.500 -0.339 0.000 2.556 219 R HA 0.068 4.408 4.340 0.000 0.000 0.276 219 R C 0.092 176.294 176.300 -0.162 0.000 0.931 219 R CA 0.254 56.213 56.100 -0.234 0.000 1.061 219 R CB -0.660 29.424 30.300 -0.360 0.000 1.432 219 R HN 0.117 nan 8.270 nan 0.000 0.547 220 N N 1.966 120.568 118.700 -0.163 0.000 2.738 220 N HA -0.205 4.535 4.740 0.000 0.000 0.249 220 N C -0.629 174.822 175.510 -0.098 0.000 1.047 220 N CA 0.821 53.814 53.050 -0.094 0.000 0.707 220 N CB -1.478 36.979 38.487 -0.049 0.000 0.937 220 N HN 0.230 nan 8.380 nan 0.000 0.545 221 N N 0.720 119.338 118.700 -0.136 0.000 2.732 221 N HA 0.263 5.003 4.740 0.000 0.000 0.235 221 N C -0.400 175.048 175.510 -0.104 0.000 1.466 221 N CA -0.380 52.602 53.050 -0.112 0.000 0.751 221 N CB -0.155 38.261 38.487 -0.119 0.000 1.317 221 N HN 0.308 nan 8.380 nan 0.000 0.525 222 I N 0.555 121.091 120.570 -0.055 0.000 7.356 222 I HA -0.319 3.851 4.170 0.000 0.000 0.126 222 I C -0.225 175.931 176.117 0.065 0.000 1.829 222 I CA 0.014 61.320 61.300 0.011 0.000 2.068 222 I CB -0.790 37.175 38.000 -0.059 0.000 3.620 222 I HN 0.328 nan 8.210 nan 0.000 0.179 223 L N 6.775 128.040 121.223 0.070 0.000 2.513 223 L HA 0.316 4.656 4.340 0.000 0.000 0.272 223 L C 0.847 177.803 176.870 0.144 0.000 1.187 223 L CA 0.810 55.629 54.840 -0.034 0.000 0.895 223 L CB 0.244 42.246 42.059 -0.095 0.000 1.147 223 L HN 0.513 nan 8.230 nan 0.000 0.483 224 R N 2.478 123.038 120.500 0.100 0.000 2.799 224 R HA 0.753 5.093 4.340 0.000 0.000 0.270 224 R C -0.852 175.516 176.300 0.112 0.000 1.010 224 R CA -0.817 55.384 56.100 0.169 0.000 0.916 224 R CB 1.485 31.927 30.300 0.237 0.000 1.228 224 R HN 0.558 nan 8.270 nan 0.000 0.469 225 T N -1.337 113.277 114.554 0.101 0.000 2.645 225 T HA 0.151 4.501 4.350 0.000 0.000 0.273 225 T C 0.712 175.466 174.700 0.089 0.000 0.960 225 T CA -0.443 61.705 62.100 0.079 0.000 1.051 225 T CB 1.553 70.425 68.868 0.007 0.000 1.366 225 T HN 0.671 nan 8.240 nan 0.000 0.536 226 Q N 0.206 120.039 119.800 0.055 0.000 2.096 226 Q HA -0.145 4.195 4.340 0.000 0.000 0.208 226 Q C -0.122 175.905 176.000 0.044 0.000 0.993 226 Q CA 1.802 57.631 55.803 0.044 0.000 0.862 226 Q CB -0.086 28.651 28.738 -0.002 0.000 0.915 226 Q HN 0.624 nan 8.270 nan 0.000 0.416 227 E N -0.647 119.533 120.200 -0.033 0.000 3.057 227 E HA -0.134 4.216 4.350 0.000 0.000 0.296 227 E C -0.694 175.772 176.600 -0.223 0.000 0.943 227 E CA 1.155 57.580 56.400 0.041 0.000 0.965 227 E CB -1.995 27.898 29.700 0.322 0.000 1.485 227 E HN 0.494 nan 8.360 nan 0.000 0.417 228 S N -2.024 113.220 115.700 -0.759 0.000 2.636 228 S HA 0.399 4.869 4.470 0.000 0.000 0.266 228 S C -0.389 173.671 174.600 -0.899 0.000 1.147 228 S CA -0.613 56.952 58.200 -1.058 0.000 0.815 228 S CB 2.072 65.374 63.200 0.171 0.000 1.119 228 S HN 0.166 nan 8.310 nan 0.000 0.470 229 E N 0.188 120.215 120.200 -0.287 0.000 2.534 229 E HA 0.184 4.534 4.350 0.000 0.000 0.264 229 E C 0.219 176.882 176.600 0.104 0.000 0.981 229 E CA -0.069 56.387 56.400 0.093 0.000 0.948 229 E CB 0.023 29.963 29.700 0.400 0.000 0.934 229 E HN 0.741 nan 8.360 nan 0.000 0.459 230 c N 2.290 120.969 118.600 0.132 0.000 2.352 230 c HA 0.891 5.461 4.570 0.000 0.000 0.387 230 c C 0.275 174.507 174.090 0.237 0.000 1.294 230 c CA -0.707 55.726 56.329 0.172 0.000 2.137 230 c CB 0.357 42.959 42.510 0.153 0.000 2.146 230 c HN 0.760 nan 8.230 nan 0.000 0.559 231 A N -0.373 122.613 122.820 0.276 0.000 2.318 231 A HA 0.694 5.014 4.320 0.000 0.000 0.324 231 A C -0.583 177.218 177.584 0.361 0.000 1.170 231 A CA -0.274 51.933 52.037 0.283 0.000 0.810 231 A CB 0.227 19.350 19.000 0.206 0.000 1.198 231 A HN 1.034 nan 8.150 nan 0.000 0.484 232 c N 1.621 120.391 118.600 0.283 0.000 2.456 232 c HA 0.825 5.395 4.570 0.000 0.000 0.325 232 c C -0.131 174.109 174.090 0.251 0.000 1.217 232 c CA -0.495 56.000 56.329 0.278 0.000 1.687 232 c CB 0.874 43.487 42.510 0.173 0.000 2.270 232 c HN 0.671 nan 8.230 nan 0.000 0.499 233 V N 2.825 122.921 119.914 0.303 0.000 2.777 233 V HA 0.468 4.588 4.120 0.000 0.000 0.306 233 V C 0.074 176.282 176.094 0.190 0.000 1.112 233 V CA -0.481 61.949 62.300 0.217 0.000 0.917 233 V CB 1.816 33.752 31.823 0.188 0.000 1.018 233 V HN 0.954 nan 8.190 nan 0.000 0.426 234 N N 3.036 121.805 118.700 0.114 0.000 2.721 234 N HA -0.202 4.538 4.740 0.000 0.000 0.249 234 N C 0.967 176.519 175.510 0.069 0.000 1.072 234 N CA 2.013 55.113 53.050 0.084 0.000 0.710 234 N CB -0.975 37.566 38.487 0.089 0.000 0.993 234 N HN 2.078 nan 8.380 nan 0.000 0.547 235 G N -2.778 106.059 108.800 0.063 0.000 2.143 235 G HA2 -0.220 3.740 3.960 0.000 0.000 0.249 235 G HA3 -0.220 3.740 3.960 0.000 0.000 0.249 235 G C -0.138 174.762 174.900 -0.000 0.000 0.981 235 G CA 0.455 45.571 45.100 0.028 0.000 0.665 235 G HN 0.843 nan 8.290 nan 0.000 0.528 236 S N -1.014 114.701 115.700 0.024 0.000 2.536 236 S HA 0.705 5.175 4.470 0.000 0.000 0.287 236 S C -0.030 174.487 174.600 -0.139 0.000 1.101 236 S CA -0.360 57.771 58.200 -0.115 0.000 0.950 236 S CB 2.363 65.469 63.200 -0.155 0.000 1.056 236 S HN 0.611 nan 8.310 nan 0.000 0.481 237 c N 2.483 120.910 118.600 -0.287 0.000 2.454 237 c HA 0.831 5.401 4.570 0.000 0.000 0.336 237 c C -0.789 173.071 174.090 -0.383 0.000 1.189 237 c CA -0.754 55.503 56.329 -0.121 0.000 1.877 237 c CB -0.022 42.500 42.510 0.020 0.000 2.348 237 c HN 0.806 nan 8.230 nan 0.000 0.508 238 F N 0.260 120.313 119.950 0.172 0.000 2.588 238 F HA 0.763 5.290 4.527 0.000 0.000 0.314 238 F C 0.399 176.329 175.800 0.217 0.000 1.069 238 F CA -0.487 57.649 58.000 0.227 0.000 0.931 238 F CB 1.930 41.185 39.000 0.425 0.000 1.260 238 F HN 0.537 nan 8.300 nan 0.000 0.465 239 T N 0.604 115.387 114.554 0.381 0.000 2.769 239 T HA 0.725 5.075 4.350 0.000 0.000 0.306 239 T C -2.119 172.750 174.700 0.281 0.000 1.400 239 T CA -0.514 61.752 62.100 0.275 0.000 1.007 239 T CB 1.550 70.505 68.868 0.145 0.000 1.392 239 T HN 0.390 nan 8.240 nan 0.000 0.500 240 V N 3.723 123.774 119.914 0.229 0.000 2.588 240 V HA 0.649 4.769 4.120 0.000 0.000 0.304 240 V C -0.348 175.891 176.094 0.241 0.000 1.042 240 V CA -0.702 61.728 62.300 0.216 0.000 0.877 240 V CB 1.670 33.572 31.823 0.131 0.000 0.996 240 V HN 0.826 nan 8.190 nan 0.000 0.425 241 M N 2.722 122.542 119.600 0.368 0.000 2.602 241 M HA 0.633 5.113 4.480 0.000 0.000 0.312 241 M C -0.627 175.945 176.300 0.453 0.000 1.181 241 M CA -0.445 55.068 55.300 0.356 0.000 0.910 241 M CB 2.661 35.474 32.600 0.354 0.000 1.723 241 M HN 0.539 nan 8.290 nan 0.000 0.459 242 T N 0.357 115.085 114.554 0.291 0.000 2.887 242 T HA 0.541 4.891 4.350 0.000 0.000 0.288 242 T C -1.472 173.181 174.700 -0.079 0.000 1.021 242 T CA -0.554 61.686 62.100 0.234 0.000 1.000 242 T CB 1.904 70.920 68.868 0.246 0.000 1.034 242 T HN 0.561 nan 8.240 nan 0.000 0.467 243 D N 0.012 120.247 120.400 -0.275 0.000 2.990 243 D HA 0.621 5.261 4.640 0.000 0.000 0.227 243 D C -0.112 175.971 176.300 -0.361 0.000 1.249 243 D CA 0.396 54.066 54.000 -0.550 0.000 0.891 243 D CB 1.694 41.630 40.800 -1.439 0.000 1.647 243 D HN 0.972 nan 8.370 nan 0.000 0.530 244 G N 2.697 111.351 108.800 -0.243 0.000 2.347 244 G HA2 0.083 4.043 3.960 0.000 0.000 0.341 244 G HA3 0.083 4.043 3.960 0.000 0.000 0.341 244 G C -2.975 171.870 174.900 -0.092 0.000 1.287 244 G CA -0.846 44.150 45.100 -0.173 0.000 0.984 244 G HN 0.384 nan 8.290 nan 0.000 0.526 245 P HA 0.225 nan 4.420 nan 0.000 0.269 245 P C 0.872 178.215 177.300 0.072 0.000 1.215 245 P CA 0.618 63.685 63.100 -0.054 0.000 0.780 245 P CB 1.254 32.873 31.700 -0.134 0.000 0.898 246 S N 0.198 115.944 115.700 0.076 0.000 2.593 246 S HA 0.046 4.516 4.470 0.000 0.000 0.217 246 S C 0.892 175.484 174.600 -0.012 0.000 0.966 246 S CA -0.080 58.230 58.200 0.183 0.000 0.914 246 S CB -0.504 62.785 63.200 0.149 0.000 0.776 246 S HN 0.321 nan 8.310 nan 0.000 0.523 247 N N 2.083 120.697 118.700 -0.145 0.000 2.129 247 N HA 0.361 5.101 4.740 0.000 0.000 0.245 247 N C 1.189 176.141 175.510 -0.929 0.000 1.262 247 N CA 0.337 53.205 53.050 -0.304 0.000 0.910 247 N CB -1.218 37.144 38.487 -0.209 0.000 1.215 247 N HN 0.354 nan 8.380 nan 0.000 0.366 248 G N 0.852 108.938 108.800 -1.190 0.000 2.641 248 G HA2 -0.129 3.831 3.960 0.000 0.000 0.310 248 G HA3 -0.129 3.831 3.960 0.000 0.000 0.310 248 G C 0.126 173.995 174.900 -1.717 0.000 1.291 248 G CA -0.049 43.768 45.100 -2.139 0.000 1.133 248 G HN 0.263 nan 8.290 nan 0.000 0.660 249 Q N -0.705 118.183 119.800 -1.521 0.000 2.348 249 Q HA 0.276 4.616 4.340 0.000 0.000 0.331 249 Q C 0.513 176.379 176.000 -0.224 0.000 1.099 249 Q CA 0.985 56.497 55.803 -0.486 0.000 1.021 249 Q CB 0.601 29.252 28.738 -0.147 0.000 1.166 249 Q HN 0.745 nan 8.270 nan 0.000 0.393 250 A N 2.190 124.979 122.820 -0.052 0.000 2.475 250 A HA 0.676 4.996 4.320 0.000 0.000 0.281 250 A C -0.870 176.294 177.584 -0.700 0.000 1.263 250 A CA -0.354 51.534 52.037 -0.248 0.000 0.776 250 A CB 1.834 20.779 19.000 -0.091 0.000 1.347 250 A HN 0.566 nan 8.150 nan 0.000 0.443 251 S N -0.878 114.438 115.700 -0.640 0.000 2.472 251 S HA 0.746 5.217 4.470 0.000 0.000 0.303 251 S C -1.617 172.668 174.600 -0.524 0.000 1.099 251 S CA -0.334 57.559 58.200 -0.512 0.000 1.077 251 S CB 0.203 63.495 63.200 0.154 0.000 1.031 251 S HN 0.464 nan 8.310 nan 0.000 0.487 252 Y N 2.423 122.871 120.300 0.246 0.000 2.425 252 Y HA 0.633 5.183 4.550 0.000 0.000 0.344 252 Y C 0.175 176.078 175.900 0.005 0.000 0.969 252 Y CA -1.046 57.155 58.100 0.169 0.000 1.052 252 Y CB 1.704 40.178 38.460 0.025 0.000 1.215 252 Y HN 0.425 nan 8.280 nan 0.000 0.451 253 K N 3.182 123.666 120.400 0.140 0.000 2.469 253 K HA 0.646 4.966 4.320 0.000 0.000 0.254 253 K C -1.506 174.961 176.600 -0.221 0.000 0.939 253 K CA -0.810 55.330 56.287 -0.244 0.000 0.812 253 K CB 2.984 35.111 32.500 -0.622 0.000 1.301 253 K HN 0.590 nan 8.250 nan 0.000 0.433 254 I N 2.585 122.862 120.570 -0.489 0.000 2.354 254 I HA 0.352 4.522 4.170 0.000 0.000 0.292 254 I C -0.909 174.912 176.117 -0.493 0.000 0.989 254 I CA -0.694 60.348 61.300 -0.429 0.000 1.188 254 I CB 0.669 38.213 38.000 -0.759 0.000 1.342 254 I HN 0.324 nan 8.210 nan 0.000 0.457 255 F N 5.179 125.039 119.950 -0.150 0.000 2.480 255 F HA 0.492 5.019 4.527 0.000 0.000 0.329 255 F C 0.234 175.969 175.800 -0.108 0.000 1.091 255 F CA -0.757 57.173 58.000 -0.117 0.000 0.972 255 F CB 1.521 40.473 39.000 -0.080 0.000 1.150 255 F HN 0.274 nan 8.300 nan 0.000 0.467 256 K N 5.590 125.968 120.400 -0.036 0.000 2.358 256 K HA 0.625 4.945 4.320 0.000 0.000 0.260 256 K C -1.138 175.325 176.600 -0.229 0.000 0.956 256 K CA -0.639 55.466 56.287 -0.304 0.000 0.834 256 K CB 0.951 33.302 32.500 -0.249 0.000 1.102 256 K HN 0.782 nan 8.250 nan 0.000 0.431 257 M N 1.569 120.992 119.600 -0.294 0.000 2.619 257 M HA 0.523 5.003 4.480 0.000 0.000 0.297 257 M C -1.369 174.793 176.300 -0.229 0.000 1.229 257 M CA -0.773 54.411 55.300 -0.193 0.000 0.860 257 M CB 2.061 34.591 32.600 -0.118 0.000 1.741 257 M HN 0.445 nan 8.290 nan 0.000 0.462 258 E N 0.920 120.995 120.200 -0.208 0.000 2.265 258 E HA 0.383 4.733 4.350 0.000 0.000 0.262 258 E C -1.316 175.079 176.600 -0.343 0.000 0.889 258 E CA -0.701 55.562 56.400 -0.229 0.000 0.789 258 E CB 1.917 31.514 29.700 -0.170 0.000 1.221 258 E HN 0.716 nan 8.360 nan 0.000 0.414 259 K N 1.529 121.579 120.400 -0.582 0.000 3.125 259 K HA -0.250 4.070 4.320 0.000 0.000 0.268 259 K C 0.588 176.639 176.600 -0.915 0.000 1.078 259 K CA 0.521 56.058 56.287 -1.249 0.000 0.775 259 K CB -1.534 30.532 32.500 -0.723 0.000 1.253 259 K HN 1.102 nan 8.250 nan 0.000 0.486 260 G N 0.411 108.895 108.800 -0.526 0.000 2.166 260 G HA2 -0.386 3.574 3.960 0.000 0.000 0.260 260 G HA3 -0.386 3.574 3.960 0.000 0.000 0.260 260 G C -0.088 174.737 174.900 -0.124 0.000 0.986 260 G CA 1.062 46.067 45.100 -0.159 0.000 0.683 260 G HN 0.444 nan 8.290 nan 0.000 0.527 261 K N 0.236 120.540 120.400 -0.160 0.000 2.345 261 K HA 0.598 4.918 4.320 0.000 0.000 0.255 261 K C 0.336 176.886 176.600 -0.083 0.000 0.934 261 K CA -0.881 55.345 56.287 -0.102 0.000 0.801 261 K CB 1.787 34.224 32.500 -0.105 0.000 1.137 261 K HN 0.011 nan 8.250 nan 0.000 0.424 262 V N 5.357 125.249 119.914 -0.037 0.000 2.485 262 V HA -0.024 4.096 4.120 0.000 0.000 0.287 262 V C 1.163 177.237 176.094 -0.032 0.000 1.022 262 V CA 0.048 62.347 62.300 -0.001 0.000 1.067 262 V CB 0.819 32.696 31.823 0.091 0.000 0.967 262 V HN 0.760 nan 8.190 nan 0.000 0.479 263 V N 1.636 121.514 119.914 -0.059 0.000 3.523 263 V HA 0.451 4.571 4.120 0.000 0.000 0.255 263 V C 0.438 176.494 176.094 -0.064 0.000 1.226 263 V CA 0.421 62.682 62.300 -0.065 0.000 1.092 263 V CB -0.175 31.600 31.823 -0.080 0.000 0.817 263 V HN 0.779 nan 8.190 nan 0.000 0.458 264 K N 0.689 121.044 120.400 -0.076 0.000 2.578 264 K HA 0.596 4.916 4.320 0.000 0.000 0.269 264 K C -1.282 175.214 176.600 -0.173 0.000 0.941 264 K CA 0.352 56.578 56.287 -0.102 0.000 0.847 264 K CB 2.309 34.765 32.500 -0.073 0.000 1.397 264 K HN 0.464 nan 8.250 nan 0.000 0.422 265 S N 0.883 116.422 115.700 -0.269 0.000 2.556 265 S HA 0.786 5.256 4.470 0.000 0.000 0.271 265 S C -1.499 172.835 174.600 -0.444 0.000 1.135 265 S CA -0.653 57.233 58.200 -0.525 0.000 0.858 265 S CB 2.041 64.757 63.200 -0.808 0.000 1.114 265 S HN 0.268 nan 8.310 nan 0.000 0.468 266 V N 1.484 121.084 119.914 -0.522 0.000 2.808 266 V HA 0.532 4.652 4.120 0.000 0.000 0.308 266 V C -0.652 175.179 176.094 -0.438 0.000 1.099 266 V CA -0.655 61.425 62.300 -0.366 0.000 0.920 266 V CB 1.830 33.524 31.823 -0.214 0.000 1.014 266 V HN 1.047 nan 8.190 nan 0.000 0.425 267 E N 3.724 123.718 120.200 -0.343 0.000 2.227 267 E HA 0.541 4.891 4.350 0.000 0.000 0.282 267 E C -1.046 175.413 176.600 -0.234 0.000 1.015 267 E CA -0.581 55.628 56.400 -0.318 0.000 0.823 267 E CB 1.171 30.705 29.700 -0.277 0.000 1.081 267 E HN 0.593 nan 8.360 nan 0.000 0.396 268 L N 3.678 124.737 121.223 -0.274 0.000 2.380 268 L HA 0.137 4.477 4.340 0.000 0.000 0.273 268 L C 0.214 177.064 176.870 -0.034 0.000 1.138 268 L CA -0.261 54.364 54.840 -0.358 0.000 0.832 268 L CB 0.599 42.374 42.059 -0.474 0.000 1.124 268 L HN 0.623 nan 8.230 nan 0.000 0.454 269 D N 3.309 123.770 120.400 0.101 0.000 2.522 269 D HA 0.316 4.956 4.640 0.000 0.000 0.218 269 D C -0.026 176.357 176.300 0.138 0.000 1.149 269 D CA -0.159 53.923 54.000 0.136 0.000 0.981 269 D CB 0.777 41.667 40.800 0.149 0.000 1.041 269 D HN 0.518 nan 8.370 nan 0.000 0.518 270 A N 4.578 127.509 122.820 0.184 0.000 3.201 270 A HA 0.358 4.678 4.320 0.000 0.000 0.312 270 A C -2.374 175.485 177.584 0.458 0.000 1.011 270 A CA -1.145 51.012 52.037 0.201 0.000 0.987 270 A CB 0.149 19.258 19.000 0.181 0.000 1.060 270 A HN 0.359 nan 8.150 nan 0.000 0.505 271 P HA 0.006 nan 4.420 nan 0.000 0.265 271 P C 0.235 177.832 177.300 0.497 0.000 1.193 271 P CA 0.778 64.114 63.100 0.393 0.000 0.765 271 P CB 0.763 32.620 31.700 0.261 0.000 0.823 272 N N 0.342 119.366 118.700 0.540 0.000 2.980 272 N HA -0.193 4.547 4.740 0.000 0.000 0.219 272 N C -0.989 174.750 175.510 0.381 0.000 0.883 272 N CA 1.175 54.473 53.050 0.413 0.000 1.018 272 N CB -1.908 36.659 38.487 0.133 0.000 1.041 272 N HN 0.376 nan 8.380 nan 0.000 0.592 273 Y N 0.431 120.998 120.300 0.445 0.000 2.432 273 Y HA 0.593 5.143 4.550 0.000 0.000 0.322 273 Y C 0.745 176.861 175.900 0.361 0.000 1.246 273 Y CA -0.161 58.129 58.100 0.317 0.000 1.268 273 Y CB 1.135 39.676 38.460 0.135 0.000 1.276 273 Y HN 0.091 nan 8.280 nan 0.000 0.499 274 H N 1.878 120.941 119.070 -0.011 0.000 3.096 274 H HA 0.275 4.831 4.556 0.000 0.000 0.335 274 H C -2.045 173.001 175.328 -0.469 0.000 0.990 274 H CA -0.617 55.416 56.048 -0.026 0.000 1.393 274 H CB 0.743 30.695 29.762 0.317 0.000 1.742 274 H HN 0.687 nan 8.280 nan 0.000 0.501 275 Y N 2.738 122.595 120.300 -0.738 0.000 2.364 275 Y HA 0.420 4.970 4.550 0.000 0.000 0.340 275 Y C 0.086 175.868 175.900 -0.196 0.000 0.975 275 Y CA -0.480 57.370 58.100 -0.417 0.000 1.089 275 Y CB 1.980 40.146 38.460 -0.490 0.000 1.192 275 Y HN 0.522 nan 8.280 nan 0.000 0.454 276 E N 1.370 121.627 120.200 0.094 0.000 2.363 276 E HA 0.208 4.558 4.350 0.000 0.000 0.281 276 E C -1.226 175.437 176.600 0.104 0.000 0.953 276 E CA -0.958 55.512 56.400 0.116 0.000 0.778 276 E CB 1.871 31.652 29.700 0.136 0.000 1.220 276 E HN 0.707 nan 8.360 nan 0.000 0.431 277 E N 0.034 120.303 120.200 0.115 0.000 2.228 277 E HA -0.239 4.111 4.350 0.000 0.000 0.213 277 E C -0.752 175.904 176.600 0.093 0.000 1.282 277 E CA 0.135 56.593 56.400 0.097 0.000 0.707 277 E CB -1.788 27.932 29.700 0.033 0.000 1.150 277 E HN 0.339 nan 8.360 nan 0.000 0.362 278 c N 1.316 119.990 118.600 0.123 0.000 2.634 278 c HA 0.121 4.691 4.570 0.000 0.000 0.418 278 c C 1.226 175.403 174.090 0.144 0.000 1.373 278 c CA -0.083 56.332 56.329 0.142 0.000 1.756 278 c CB 0.274 42.879 42.510 0.158 0.000 2.589 278 c HN 0.381 nan 8.230 nan 0.000 0.602 279 S N 2.612 118.409 115.700 0.161 0.000 2.434 279 S HA 0.345 4.815 4.470 0.000 0.000 0.318 279 S C -0.160 174.567 174.600 0.212 0.000 1.062 279 S CA -0.461 57.854 58.200 0.191 0.000 1.116 279 S CB 0.140 63.456 63.200 0.194 0.000 0.977 279 S HN 0.839 nan 8.310 nan 0.000 0.480 280 c N 3.449 122.173 118.600 0.207 0.000 2.399 280 c HA 0.893 5.463 4.570 0.000 0.000 0.348 280 c C -0.415 173.830 174.090 0.258 0.000 1.183 280 c CA -0.945 55.471 56.329 0.145 0.000 2.023 280 c CB -0.115 42.471 42.510 0.126 0.000 2.361 280 c HN 0.912 nan 8.230 nan 0.000 0.521 281 Y N -0.349 120.011 120.300 0.100 0.000 2.592 281 Y HA 0.710 5.260 4.550 0.000 0.000 0.334 281 Y C -3.242 172.679 175.900 0.036 0.000 1.136 281 Y CA -2.572 55.608 58.100 0.133 0.000 1.042 281 Y CB 0.675 39.287 38.460 0.253 0.000 1.325 281 Y HN 0.455 nan 8.280 nan 0.000 0.457 282 P HA 0.281 nan 4.420 nan 0.000 0.286 282 P C -1.296 176.085 177.300 0.135 0.000 1.261 282 P CA -0.279 62.856 63.100 0.059 0.000 0.821 282 P CB 1.764 33.513 31.700 0.080 0.000 1.013 283 N N 1.443 120.141 118.700 -0.003 0.000 2.572 283 N HA 0.319 5.059 4.740 0.000 0.000 0.287 283 N C -0.593 174.885 175.510 -0.054 0.000 1.136 283 N CA -0.034 53.022 53.050 0.009 0.000 0.900 283 N CB 0.979 39.485 38.487 0.032 0.000 1.484 283 N HN 0.531 nan 8.380 nan 0.000 0.526 284 A N 2.368 125.168 122.820 -0.033 0.000 2.610 284 A HA 0.018 4.338 4.320 0.000 0.000 0.299 284 A C 1.403 178.959 177.584 -0.048 0.000 1.487 284 A CA 2.042 54.056 52.037 -0.037 0.000 0.743 284 A CB -2.068 16.905 19.000 -0.045 0.000 1.070 284 A HN 2.018 nan 8.150 nan 0.000 0.439 285 G N -1.923 106.852 108.800 -0.042 0.000 2.184 285 G HA2 -0.217 3.743 3.960 0.000 0.000 0.264 285 G HA3 -0.217 3.743 3.960 0.000 0.000 0.264 285 G C -0.154 174.680 174.900 -0.111 0.000 0.975 285 G CA 1.086 46.158 45.100 -0.046 0.000 0.642 285 G HN 1.502 nan 8.290 nan 0.000 0.536 286 E N -1.003 119.093 120.200 -0.174 0.000 2.392 286 E HA 0.714 5.064 4.350 0.000 0.000 0.269 286 E C -1.026 175.310 176.600 -0.440 0.000 0.924 286 E CA -1.184 55.032 56.400 -0.306 0.000 0.784 286 E CB 1.742 31.295 29.700 -0.246 0.000 1.292 286 E HN 0.093 nan 8.360 nan 0.000 0.447 287 I N 0.700 120.819 120.570 -0.751 0.000 2.493 287 I HA 0.297 4.468 4.170 0.000 0.000 0.298 287 I C -0.225 175.380 176.117 -0.854 0.000 0.998 287 I CA -0.217 60.570 61.300 -0.855 0.000 1.137 287 I CB 2.019 39.333 38.000 -1.144 0.000 1.310 287 I HN 0.340 nan 8.210 nan 0.000 0.445 288 T N 4.080 118.172 114.554 -0.769 0.000 2.879 288 T HA 0.511 4.862 4.350 0.000 0.000 0.290 288 T C -1.084 173.341 174.700 -0.458 0.000 0.993 288 T CA -0.385 61.355 62.100 -0.600 0.000 0.975 288 T CB 0.867 69.291 68.868 -0.740 0.000 0.981 288 T HN 0.539 nan 8.240 nan 0.000 0.439 289 c N 2.999 121.565 118.600 -0.057 0.000 2.455 289 c HA 0.777 5.347 4.570 0.000 0.000 0.320 289 c C 0.018 174.264 174.090 0.261 0.000 1.226 289 c CA -0.847 55.541 56.329 0.099 0.000 1.569 289 c CB 0.936 43.538 42.510 0.152 0.000 2.200 289 c HN 0.693 nan 8.230 nan 0.000 0.491 290 V N 2.576 122.636 119.914 0.244 0.000 2.409 290 V HA 0.527 4.647 4.120 0.000 0.000 0.291 290 V C 0.151 176.344 176.094 0.165 0.000 1.020 290 V CA -0.107 62.337 62.300 0.240 0.000 0.848 290 V CB 0.950 32.898 31.823 0.208 0.000 0.990 290 V HN 1.162 nan 8.190 nan 0.000 0.430 291 c N 3.611 122.294 118.600 0.138 0.000 3.018 291 c HA 0.724 5.294 4.570 0.000 0.000 0.393 291 c C 0.209 174.302 174.090 0.005 0.000 2.195 291 c CA -1.014 55.373 56.329 0.098 0.000 1.696 291 c CB 1.491 44.120 42.510 0.199 0.000 2.455 291 c HN 0.890 nan 8.230 nan 0.000 0.478 292 R N 1.249 121.753 120.500 0.006 0.000 2.393 292 R HA 0.400 4.740 4.340 0.000 0.000 0.315 292 R C -1.712 174.612 176.300 0.041 0.000 0.952 292 R CA -0.005 56.087 56.100 -0.014 0.000 0.842 292 R CB 0.845 31.123 30.300 -0.038 0.000 1.163 292 R HN 0.839 nan 8.270 nan 0.000 0.450 293 D N 3.360 123.786 120.400 0.044 0.000 2.412 293 D HA 0.065 4.705 4.640 0.000 0.000 0.224 293 D C -0.191 176.200 176.300 0.151 0.000 1.093 293 D CA -0.292 53.813 54.000 0.176 0.000 0.850 293 D CB 1.221 42.105 40.800 0.141 0.000 1.046 293 D HN 0.650 nan 8.370 nan 0.000 0.507 294 N N 3.181 122.007 118.700 0.211 0.000 2.353 294 N HA 0.019 4.759 4.740 0.000 0.000 0.185 294 N C 0.857 176.341 175.510 -0.043 0.000 1.098 294 N CA -0.004 53.085 53.050 0.066 0.000 0.872 294 N CB 0.097 38.678 38.487 0.158 0.000 0.970 294 N HN 0.498 nan 8.380 nan 0.000 0.467 295 W N 1.028 121.987 121.300 -0.568 0.000 2.587 295 W HA 0.064 4.724 4.660 0.000 0.000 0.307 295 W C 0.269 176.657 176.519 -0.218 0.000 1.138 295 W CA 1.812 58.811 57.345 -0.578 0.000 1.450 295 W CB -0.558 28.317 29.460 -0.976 0.000 1.149 295 W HN 0.325 nan 8.180 nan 0.000 0.512 296 H N -1.778 117.126 119.070 -0.276 0.000 3.233 296 H HA 0.518 5.074 4.556 0.000 0.000 0.232 296 H C -0.323 174.799 175.328 -0.344 0.000 1.322 296 H CA -0.929 54.870 56.048 -0.414 0.000 1.043 296 H CB -0.501 28.769 29.762 -0.820 0.000 2.572 296 H HN 0.065 nan 8.280 nan 0.000 0.597 297 G N -0.584 108.213 108.800 -0.005 0.000 2.617 297 G HA2 0.435 4.395 3.960 0.000 0.000 0.306 297 G HA3 0.435 4.395 3.960 0.000 0.000 0.306 297 G C -0.036 174.824 174.900 -0.067 0.000 1.360 297 G CA -0.569 44.481 45.100 -0.083 0.000 0.983 297 G HN 0.137 nan 8.290 nan 0.000 0.496 298 S N 0.559 116.163 115.700 -0.160 0.000 2.486 298 S HA 0.038 4.508 4.470 0.000 0.000 0.220 298 S C 1.169 175.746 174.600 -0.038 0.000 1.011 298 S CA -0.074 58.020 58.200 -0.177 0.000 0.921 298 S CB -0.088 62.837 63.200 -0.457 0.000 0.785 298 S HN 0.815 nan 8.310 nan 0.000 0.517 299 N N 1.529 120.251 118.700 0.037 0.000 2.482 299 N HA 0.252 4.992 4.740 0.000 0.000 0.279 299 N C -0.709 174.863 175.510 0.105 0.000 1.182 299 N CA -0.553 52.586 53.050 0.149 0.000 0.969 299 N CB 0.678 39.295 38.487 0.217 0.000 1.201 299 N HN 0.012 nan 8.380 nan 0.000 0.523 300 R N 0.067 120.580 120.500 0.022 0.000 2.349 300 R HA 0.428 4.768 4.340 0.000 0.000 0.299 300 R C -2.087 174.053 176.300 -0.266 0.000 1.027 300 R CA -1.463 54.585 56.100 -0.086 0.000 0.958 300 R CB 1.288 31.549 30.300 -0.065 0.000 1.047 300 R HN 0.542 nan 8.270 nan 0.000 0.468 301 P HA 0.234 nan 4.420 nan 0.000 0.281 301 P C -0.912 176.254 177.300 -0.224 0.000 1.264 301 P CA -0.385 62.073 63.100 -1.070 0.000 0.824 301 P CB 0.984 31.735 31.700 -1.582 0.000 1.092 302 W N -0.264 120.998 121.300 -0.063 0.000 3.062 302 W HA 0.662 5.322 4.660 0.000 0.000 0.336 302 W C -2.364 174.322 176.519 0.278 0.000 1.224 302 W CA -1.215 56.230 57.345 0.167 0.000 1.159 302 W CB 0.838 30.366 29.460 0.114 0.000 1.454 302 W HN 0.009 nan 8.180 nan 0.000 0.569 303 V N 1.984 122.249 119.914 0.585 0.000 2.808 303 V HA 0.535 4.655 4.120 0.000 0.000 0.308 303 V C -0.339 176.031 176.094 0.459 0.000 1.099 303 V CA -0.730 61.793 62.300 0.372 0.000 0.920 303 V CB 1.583 33.397 31.823 -0.016 0.000 1.014 303 V HN 0.693 nan 8.190 nan 0.000 0.425 304 S N 3.293 119.278 115.700 0.474 0.000 2.549 304 S HA 0.987 5.457 4.470 0.000 0.000 0.280 304 S C -1.077 173.658 174.600 0.224 0.000 1.109 304 S CA -0.703 57.576 58.200 0.131 0.000 0.905 304 S CB 2.315 65.585 63.200 0.117 0.000 1.081 304 S HN 1.225 nan 8.310 nan 0.000 0.477 305 F N -0.547 119.407 119.950 0.007 0.000 2.693 305 F HA 0.725 5.252 4.527 0.000 0.000 0.309 305 F C -0.675 175.056 175.800 -0.115 0.000 1.129 305 F CA -1.133 56.866 58.000 -0.000 0.000 0.948 305 F CB 0.522 39.540 39.000 0.031 0.000 1.315 305 F HN 0.667 nan 8.300 nan 0.000 0.447 309 N N 0.675 119.496 118.700 0.201 0.000 2.235 309 N HA 0.151 4.891 4.740 0.000 0.000 0.231 309 N C -0.259 175.325 175.510 0.124 0.000 1.177 309 N CA 0.165 53.302 53.050 0.145 0.000 0.874 309 N CB 1.070 39.606 38.487 0.083 0.000 1.097 309 N HN 0.043 nan 8.380 nan 0.000 0.518 310 L N 0.581 121.911 121.223 0.178 0.000 4.040 310 L HA -0.241 4.099 4.340 0.000 0.000 0.410 310 L C -0.222 176.741 176.870 0.155 0.000 1.187 310 L CA 0.862 55.757 54.840 0.092 0.000 0.956 310 L CB -2.312 39.726 42.059 -0.034 0.000 2.022 310 L HN 0.241 nan 8.230 nan 0.000 0.897 311 E N -0.118 120.171 120.200 0.147 0.000 2.229 311 E HA 0.504 4.854 4.350 0.000 0.000 0.283 311 E C -0.134 176.552 176.600 0.143 0.000 1.030 311 E CA -0.366 56.070 56.400 0.059 0.000 0.836 311 E CB 0.800 30.509 29.700 0.015 0.000 1.068 311 E HN 0.379 nan 8.360 nan 0.000 0.401 312 Y N -0.021 120.320 120.300 0.068 0.000 2.698 312 Y HA 0.579 5.129 4.550 0.000 0.000 0.332 312 Y C -0.733 175.224 175.900 0.094 0.000 1.119 312 Y CA -1.220 56.951 58.100 0.118 0.000 1.109 312 Y CB 1.323 39.843 38.460 0.102 0.000 1.308 312 Y HN 0.285 nan 8.280 nan 0.000 0.499 313 Q N 1.682 121.711 119.800 0.382 0.000 2.379 313 Q HA 0.728 5.068 4.340 0.000 0.000 0.278 313 Q C -1.306 174.844 176.000 0.250 0.000 1.068 313 Q CA -1.034 54.946 55.803 0.295 0.000 0.816 313 Q CB 3.549 32.518 28.738 0.386 0.000 1.387 313 Q HN 0.826 nan 8.270 nan 0.000 0.413 314 I N -2.815 117.670 120.570 -0.142 0.000 3.174 314 I HA 1.006 5.176 4.170 0.000 0.000 0.313 314 I C -0.225 175.254 176.117 -1.063 0.000 1.155 314 I CA -0.898 60.008 61.300 -0.656 0.000 0.977 314 I CB 2.488 40.185 38.000 -0.505 0.000 1.248 314 I HN 0.724 nan 8.210 nan 0.000 0.453 315 G N 0.989 109.029 108.800 -1.266 0.000 2.323 315 G HA2 0.442 4.402 3.960 0.000 0.000 0.291 315 G HA3 0.442 4.402 3.960 0.000 0.000 0.291 315 G C -2.554 171.936 174.900 -0.684 0.000 1.278 315 G CA -0.631 44.077 45.100 -0.654 0.000 0.860 315 G HN 0.617 nan 8.290 nan 0.000 0.504 316 Y N -0.583 119.531 120.300 -0.310 0.000 2.536 316 Y HA 0.629 5.179 4.550 0.000 0.000 0.347 316 Y C 0.728 176.609 175.900 -0.033 0.000 1.000 316 Y CA -0.854 57.150 58.100 -0.161 0.000 1.051 316 Y CB 1.967 40.296 38.460 -0.218 0.000 1.259 316 Y HN 0.461 nan 8.280 nan 0.000 0.468 317 I N 2.765 123.334 120.570 -0.002 0.000 2.581 317 I HA -0.077 4.093 4.170 0.000 0.000 0.285 317 I C 0.316 176.384 176.117 -0.081 0.000 1.129 317 I CA 0.165 61.312 61.300 -0.254 0.000 1.397 317 I CB 0.370 38.221 38.000 -0.248 0.000 1.399 317 I HN 0.788 nan 8.210 nan 0.000 0.537 318 c N 3.188 121.731 118.600 -0.094 0.000 2.562 318 c HA -0.004 4.566 4.570 0.000 0.000 0.266 318 c C 1.681 175.730 174.090 -0.069 0.000 1.382 318 c CA -0.323 55.984 56.329 -0.037 0.000 1.742 318 c CB -1.439 41.064 42.510 -0.013 0.000 1.812 318 c HN 0.849 nan 8.230 nan 0.000 0.559 319 S N 1.420 117.052 115.700 -0.113 0.000 2.558 319 S HA 0.282 4.752 4.470 0.000 0.000 0.293 319 S C 1.402 175.807 174.600 -0.325 0.000 1.292 319 S CA 0.491 58.582 58.200 -0.183 0.000 1.063 319 S CB 0.609 63.691 63.200 -0.195 0.000 0.831 319 S HN 0.625 nan 8.310 nan 0.000 0.499 320 G N 3.181 111.747 108.800 -0.390 0.000 2.776 320 G HA2 0.070 4.030 3.960 0.000 0.000 0.209 320 G HA3 0.070 4.030 3.960 0.000 0.000 0.209 320 G C 0.230 174.487 174.900 -1.071 0.000 1.145 320 G CA 0.034 44.704 45.100 -0.716 0.000 0.791 320 G HN 0.656 nan 8.290 nan 0.000 0.530 321 V N 2.616 122.129 119.914 -0.668 0.000 2.222 321 V HA 0.271 4.391 4.120 0.000 0.000 0.253 321 V C -0.157 175.652 176.094 -0.476 0.000 1.210 321 V CA -1.041 60.932 62.300 -0.544 0.000 1.079 321 V CB -1.024 30.546 31.823 -0.422 0.000 1.265 321 V HN 0.215 nan 8.190 nan 0.000 0.494 322 F N 1.750 121.623 119.950 -0.128 0.000 2.629 322 F HA 0.213 4.740 4.527 0.000 0.000 0.377 322 F C 1.647 177.359 175.800 -0.147 0.000 1.101 322 F CA 0.569 58.497 58.000 -0.120 0.000 1.301 322 F CB 0.550 39.494 39.000 -0.094 0.000 1.062 322 F HN 0.443 nan 8.300 nan 0.000 0.583 323 G N 1.041 109.859 108.800 0.031 0.000 2.796 323 G HA2 -0.051 3.909 3.960 0.000 0.000 0.210 323 G HA3 -0.051 3.909 3.960 0.000 0.000 0.210 323 G C 0.158 175.019 174.900 -0.066 0.000 1.146 323 G CA -0.041 45.008 45.100 -0.085 0.000 0.779 323 G HN 0.531 nan 8.290 nan 0.000 0.535 324 D N 0.249 120.641 120.400 -0.014 0.000 2.411 324 D HA 0.238 4.878 4.640 0.000 0.000 0.251 324 D C -0.559 175.733 176.300 -0.013 0.000 1.201 324 D CA -0.374 53.609 54.000 -0.029 0.000 0.996 324 D CB 0.778 41.561 40.800 -0.029 0.000 1.101 324 D HN 0.056 nan 8.370 nan 0.000 0.504 325 N N 0.613 119.305 118.700 -0.014 0.000 2.503 325 N HA 0.220 4.960 4.740 0.000 0.000 0.287 325 N C -2.987 172.546 175.510 0.037 0.000 1.096 325 N CA -1.216 51.851 53.050 0.029 0.000 0.936 325 N CB 2.495 41.019 38.487 0.062 0.000 1.570 325 N HN 0.112 nan 8.380 nan 0.000 0.504 326 P HA 0.250 nan 4.420 nan 0.000 0.275 326 P C -0.750 176.567 177.300 0.027 0.000 1.270 326 P CA 0.076 63.233 63.100 0.096 0.000 0.791 326 P CB 1.123 32.900 31.700 0.129 0.000 1.089 327 R N -2.924 117.578 120.500 0.004 0.000 2.774 327 R HA 0.545 4.885 4.340 0.000 0.000 0.279 327 R C -3.181 173.086 176.300 -0.055 0.000 1.022 327 R CA -1.674 54.391 56.100 -0.059 0.000 0.855 327 R CB 0.367 30.667 30.300 -0.000 0.000 1.279 327 R HN 0.183 nan 8.270 nan 0.000 0.485 328 P HA 0.219 nan 4.420 nan 0.000 0.284 328 P C -0.970 176.391 177.300 0.101 0.000 1.287 328 P CA -0.667 62.398 63.100 -0.058 0.000 0.824 328 P CB 0.680 32.277 31.700 -0.172 0.000 1.180 329 N N 0.565 119.326 118.700 0.101 0.000 2.416 329 N HA 0.012 4.752 4.740 0.000 0.000 0.246 329 N C -0.147 175.502 175.510 0.233 0.000 1.260 329 N CA 0.360 53.485 53.050 0.126 0.000 0.897 329 N CB -0.246 38.283 38.487 0.070 0.000 1.110 329 N HN 0.327 nan 8.380 nan 0.000 0.439 330 D N 1.056 121.531 120.400 0.126 0.000 2.389 330 D HA 0.066 4.706 4.640 0.000 0.000 0.278 330 D C 1.074 177.366 176.300 -0.013 0.000 1.398 330 D CA 0.270 54.248 54.000 -0.037 0.000 1.090 330 D CB -0.058 40.650 40.800 -0.153 0.000 1.108 330 D HN 0.556 nan 8.370 nan 0.000 0.532 331 G N 1.282 110.154 108.800 0.120 0.000 2.968 331 G HA2 0.179 4.139 3.960 0.000 0.000 0.206 331 G HA3 0.179 4.139 3.960 0.000 0.000 0.206 331 G C -0.111 174.794 174.900 0.010 0.000 2.051 331 G CA -0.127 45.025 45.100 0.086 0.000 0.773 331 G HN 0.328 nan 8.290 nan 0.000 0.741 332 T N 0.534 115.151 114.554 0.105 0.000 2.786 332 T HA 0.608 4.958 4.350 0.000 0.000 0.283 332 T C 0.365 175.157 174.700 0.153 0.000 0.992 332 T CA -0.012 62.117 62.100 0.047 0.000 0.954 332 T CB 1.297 70.180 68.868 0.026 0.000 0.934 332 T HN 0.577 nan 8.240 nan 0.000 0.440 340 P HA -0.111 nan 4.420 nan 0.000 0.255 340 P C 0.372 177.262 177.300 -0.683 0.000 1.104 340 P CA 0.320 62.698 63.100 -1.202 0.000 0.764 340 P CB 0.360 31.291 31.700 -1.281 0.000 0.682 341 V N 4.060 123.700 119.914 -0.457 0.000 2.455 341 V HA 0.031 4.151 4.120 0.000 0.000 0.273 341 V C 1.928 177.783 176.094 -0.399 0.000 1.045 341 V CA 0.823 62.887 62.300 -0.392 0.000 0.976 341 V CB 0.703 32.262 31.823 -0.441 0.000 0.993 341 V HN 0.687 nan 8.190 nan 0.000 0.475 342 S N 2.342 117.819 115.700 -0.371 0.000 2.501 342 S HA -0.033 4.437 4.470 0.000 0.000 0.220 342 S C 1.141 175.599 174.600 -0.236 0.000 0.997 342 S CA 0.295 58.310 58.200 -0.308 0.000 0.919 342 S CB -0.130 62.893 63.200 -0.295 0.000 0.778 342 S HN 0.861 nan 8.310 nan 0.000 0.523 343 S N 2.629 118.170 115.700 -0.265 0.000 2.670 343 S HA 0.290 4.760 4.470 0.000 0.000 0.328 343 S C 0.482 174.949 174.600 -0.222 0.000 1.179 343 S CA -0.144 57.922 58.200 -0.223 0.000 1.194 343 S CB -0.553 62.513 63.200 -0.224 0.000 1.359 343 S HN 0.502 nan 8.310 nan 0.000 0.555 344 N N 1.976 120.590 118.700 -0.142 0.000 2.984 344 N HA -0.134 4.606 4.740 0.000 0.000 0.227 344 N C 0.265 175.732 175.510 -0.072 0.000 0.903 344 N CA 1.446 54.439 53.050 -0.095 0.000 0.995 344 N CB -1.483 36.944 38.487 -0.100 0.000 1.065 344 N HN 0.918 nan 8.380 nan 0.000 0.585 345 G N -0.372 108.363 108.800 -0.108 0.000 4.649 345 G HA2 0.662 4.622 3.960 0.000 0.000 0.312 345 G HA3 0.662 4.622 3.960 0.000 0.000 0.312 345 G C 0.294 175.185 174.900 -0.015 0.000 1.403 345 G CA 0.319 45.378 45.100 -0.069 0.000 1.248 345 G HN 0.549 nan 8.290 nan 0.000 0.581 346 A N 0.646 123.494 122.820 0.046 0.000 2.749 346 A HA 0.663 4.983 4.320 0.000 0.000 0.299 346 A C -0.411 177.284 177.584 0.185 0.000 1.105 346 A CA -0.474 51.614 52.037 0.084 0.000 0.987 346 A CB 0.129 19.168 19.000 0.065 0.000 1.180 346 A HN 0.605 nan 8.150 nan 0.000 0.528 347 Y N -1.177 119.134 120.300 0.018 0.000 2.871 347 Y HA 0.606 5.156 4.550 0.000 0.000 0.236 347 Y C 0.292 176.222 175.900 0.050 0.000 2.263 347 Y CA -0.100 58.023 58.100 0.038 0.000 0.950 347 Y CB 0.295 38.778 38.460 0.038 0.000 2.467 347 Y HN 0.912 nan 8.280 nan 0.000 0.376 348 G N 0.313 108.709 108.800 -0.674 0.000 2.369 348 G HA2 0.459 4.419 3.960 0.000 0.000 0.293 348 G HA3 0.459 4.419 3.960 0.000 0.000 0.293 348 G C -2.417 172.174 174.900 -0.515 0.000 1.301 348 G CA -0.106 44.732 45.100 -0.436 0.000 0.913 348 G HN 1.254 nan 8.290 nan 0.000 0.540 349 V N -0.094 119.662 119.914 -0.262 0.000 2.924 349 V HA 0.671 4.791 4.120 0.000 0.000 0.300 349 V C -0.075 175.846 176.094 -0.288 0.000 1.227 349 V CA -0.652 61.518 62.300 -0.217 0.000 0.954 349 V CB 1.778 33.582 31.823 -0.032 0.000 1.055 349 V HN 1.131 nan 8.190 nan 0.000 0.429 350 K N 3.911 123.928 120.400 -0.637 0.000 2.472 350 K HA 0.510 4.830 4.320 0.000 0.000 0.280 350 K C 0.090 176.559 176.600 -0.218 0.000 1.028 350 K CA 1.036 57.025 56.287 -0.495 0.000 1.045 350 K CB 0.488 32.515 32.500 -0.790 0.000 0.902 350 K HN 1.014 nan 8.250 nan 0.000 0.478 351 G N 2.722 111.468 108.800 -0.090 0.000 2.827 351 G HA2 0.666 4.626 3.960 0.000 0.000 0.296 351 G HA3 0.666 4.626 3.960 0.000 0.000 0.296 351 G C -1.516 173.425 174.900 0.068 0.000 1.362 351 G CA -0.908 44.188 45.100 -0.007 0.000 0.809 351 G HN 0.627 nan 8.290 nan 0.000 0.522 352 F N -2.039 117.829 119.950 -0.135 0.000 2.824 352 F HA 0.913 5.440 4.527 0.000 0.000 0.330 352 F C -0.467 175.240 175.800 -0.155 0.000 1.175 352 F CA -1.662 56.239 58.000 -0.165 0.000 0.974 352 F CB 1.656 40.486 39.000 -0.284 0.000 1.430 352 F HN 0.597 nan 8.300 nan 0.000 0.507 353 S N -0.205 115.377 115.700 -0.197 0.000 2.578 353 S HA 0.557 5.027 4.470 0.000 0.000 0.285 353 S C -1.963 172.656 174.600 0.032 0.000 1.126 353 S CA -0.665 57.459 58.200 -0.126 0.000 0.878 353 S CB 1.047 64.282 63.200 0.059 0.000 1.091 353 S HN 0.583 nan 8.310 nan 0.000 0.450 354 F N 2.289 122.515 119.950 0.461 0.000 2.449 354 F HA 0.488 5.015 4.527 0.000 0.000 0.342 354 F C 0.327 176.358 175.800 0.385 0.000 1.127 354 F CA -0.666 57.548 58.000 0.358 0.000 0.975 354 F CB 1.441 40.683 39.000 0.403 0.000 1.146 354 F HN 0.341 nan 8.300 nan 0.000 0.444 355 K N 4.062 124.628 120.400 0.276 0.000 2.234 355 K HA 0.362 4.682 4.320 0.000 0.000 0.282 355 K C -1.886 174.641 176.600 -0.122 0.000 1.039 355 K CA -0.343 55.874 56.287 -0.116 0.000 0.928 355 K CB 0.656 32.551 32.500 -1.009 0.000 1.039 355 K HN 0.634 nan 8.250 nan 0.000 0.470 356 Y N 3.323 123.690 120.300 0.112 0.000 2.349 356 Y HA 0.257 4.807 4.550 0.000 0.000 0.324 356 Y C 0.866 176.809 175.900 0.071 0.000 1.005 356 Y CA 0.362 58.549 58.100 0.144 0.000 1.240 356 Y CB 1.831 40.473 38.460 0.303 0.000 1.117 356 Y HN 1.059 nan 8.280 nan 0.000 0.463 357 G N 2.916 111.749 108.800 0.056 0.000 2.629 357 G HA2 -0.412 3.548 3.960 0.000 0.000 0.313 357 G HA3 -0.412 3.548 3.960 0.000 0.000 0.313 357 G C 0.939 175.795 174.900 -0.073 0.000 1.217 357 G CA 0.840 45.944 45.100 0.007 0.000 0.994 357 G HN 0.610 nan 8.290 nan 0.000 0.549 358 N N 2.570 121.274 118.700 0.007 0.000 2.336 358 N HA 0.209 4.949 4.740 0.000 0.000 0.189 358 N C 1.079 176.605 175.510 0.027 0.000 1.113 358 N CA 0.992 54.051 53.050 0.015 0.000 0.858 358 N CB 0.409 38.921 38.487 0.042 0.000 0.970 358 N HN 0.785 nan 8.380 nan 0.000 0.471 359 G N 0.177 108.988 108.800 0.019 0.000 2.522 359 G HA2 0.539 4.499 3.960 0.000 0.000 0.304 359 G HA3 0.539 4.499 3.960 0.000 0.000 0.304 359 G C -0.523 174.362 174.900 -0.025 0.000 1.210 359 G CA -0.257 44.704 45.100 -0.231 0.000 0.960 359 G HN -0.049 nan 8.290 nan 0.000 0.497 360 V N -2.240 117.513 119.914 -0.268 0.000 2.851 360 V HA 0.452 4.572 4.120 0.000 0.000 0.307 360 V C -1.624 174.620 176.094 0.250 0.000 1.129 360 V CA -1.103 61.319 62.300 0.203 0.000 0.932 360 V CB 1.854 33.813 31.823 0.227 0.000 1.024 360 V HN 0.789 nan 8.190 nan 0.000 0.426 361 W N 3.870 125.529 121.300 0.598 0.000 2.288 361 W HA 0.713 5.373 4.660 0.000 0.000 0.325 361 W C -0.179 176.438 176.519 0.163 0.000 1.019 361 W CA -0.291 57.391 57.345 0.562 0.000 1.403 361 W CB 1.333 31.307 29.460 0.857 0.000 1.226 361 W HN 0.452 nan 8.180 nan 0.000 0.391 362 I N 4.148 124.812 120.570 0.158 0.000 2.325 362 I HA 0.386 4.556 4.170 0.000 0.000 0.291 362 I C 0.986 176.861 176.117 -0.405 0.000 1.019 362 I CA -0.394 60.797 61.300 -0.181 0.000 1.302 362 I CB 0.724 38.590 38.000 -0.223 0.000 1.401 362 I HN 0.400 nan 8.210 nan 0.000 0.485 363 G N 6.225 114.520 108.800 -0.842 0.000 2.356 363 G HA2 0.776 4.736 3.960 0.000 0.000 0.322 363 G HA3 0.776 4.736 3.960 0.000 0.000 0.322 363 G C -0.693 173.670 174.900 -0.896 0.000 1.125 363 G CA -0.502 43.984 45.100 -1.023 0.000 0.885 363 G HN 0.801 nan 8.290 nan 0.000 0.467 364 R N -0.422 119.329 120.500 -1.248 0.000 2.741 364 R HA 0.562 4.902 4.340 0.000 0.000 0.276 364 R C -0.333 175.471 176.300 -0.826 0.000 1.028 364 R CA -0.784 54.855 56.100 -0.770 0.000 0.865 364 R CB 0.180 30.217 30.300 -0.439 0.000 1.268 364 R HN 0.617 nan 8.270 nan 0.000 0.475 365 T N -0.869 113.530 114.554 -0.258 0.000 2.813 365 T HA 0.232 4.582 4.350 0.000 0.000 0.297 365 T C 0.681 175.314 174.700 -0.112 0.000 1.036 365 T CA -0.589 61.482 62.100 -0.047 0.000 1.044 365 T CB 1.121 70.047 68.868 0.096 0.000 0.993 365 T HN 0.670 nan 8.240 nan 0.000 0.535 366 K N 0.222 120.599 120.400 -0.038 0.000 2.211 366 K HA 0.111 4.431 4.320 0.000 0.000 0.201 366 K C 1.376 177.964 176.600 -0.021 0.000 1.052 366 K CA 0.198 56.457 56.287 -0.047 0.000 0.973 366 K CB 0.103 32.591 32.500 -0.020 0.000 0.766 366 K HN 0.558 nan 8.250 nan 0.000 0.466 367 S N 0.561 116.266 115.700 0.009 0.000 2.610 367 S HA 0.060 4.531 4.470 0.000 0.000 0.273 367 S C 1.053 175.674 174.600 0.035 0.000 1.274 367 S CA -0.525 57.688 58.200 0.022 0.000 1.023 367 S CB 1.207 64.430 63.200 0.037 0.000 0.962 367 S HN 0.340 nan 8.310 nan 0.000 0.523 368 T N 1.033 115.610 114.554 0.038 0.000 3.060 368 T HA 0.251 4.601 4.350 0.000 0.000 0.249 368 T C 0.813 175.549 174.700 0.060 0.000 1.079 368 T CA -0.019 62.107 62.100 0.043 0.000 1.013 368 T CB -0.145 68.745 68.868 0.038 0.000 0.975 368 T HN 0.560 nan 8.240 nan 0.000 0.518 369 N N 0.541 119.287 118.700 0.076 0.000 2.382 369 N HA 0.221 4.961 4.740 0.000 0.000 0.200 369 N C -0.125 175.473 175.510 0.146 0.000 1.122 369 N CA 0.069 53.177 53.050 0.098 0.000 0.870 369 N CB 1.103 39.637 38.487 0.078 0.000 1.176 369 N HN 0.271 nan 8.380 nan 0.000 0.474 370 S N 0.115 115.913 115.700 0.163 0.000 2.648 370 S HA 0.435 4.905 4.470 0.000 0.000 0.305 370 S C 0.230 174.989 174.600 0.265 0.000 1.094 370 S CA -0.667 57.684 58.200 0.251 0.000 0.983 370 S CB 2.364 65.760 63.200 0.327 0.000 1.101 370 S HN 0.029 nan 8.310 nan 0.000 0.514 371 R N 1.916 122.628 120.500 0.353 0.000 4.556 371 R HA 0.215 4.555 4.340 0.000 0.000 0.197 371 R C -0.361 176.198 176.300 0.431 0.000 1.791 371 R CA -0.143 56.167 56.100 0.350 0.000 1.526 371 R CB -0.422 30.080 30.300 0.336 0.000 1.410 371 R HN 0.603 nan 8.270 nan 0.000 0.826 372 S N -0.674 115.195 115.700 0.280 0.000 2.500 372 S HA 0.781 5.251 4.470 0.000 0.000 0.301 372 S C 0.249 174.906 174.600 0.095 0.000 1.092 372 S CA -0.493 57.781 58.200 0.122 0.000 1.030 372 S CB 2.272 65.362 63.200 -0.184 0.000 1.031 372 S HN 0.550 nan 8.310 nan 0.000 0.483 373 G N 0.846 109.707 108.800 0.102 0.000 2.825 373 G HA2 0.080 4.040 3.960 0.000 0.000 0.684 373 G HA3 0.080 4.040 3.960 0.000 0.000 0.684 373 G C -1.095 173.957 174.900 0.254 0.000 1.528 373 G CA -0.373 44.804 45.100 0.129 0.000 0.963 373 G HN 1.318 nan 8.290 nan 0.000 0.577 374 F N 0.962 120.956 119.950 0.073 0.000 2.631 374 F HA 0.706 5.233 4.527 0.000 0.000 0.308 374 F C -0.319 175.498 175.800 0.028 0.000 1.097 374 F CA -0.030 58.004 58.000 0.057 0.000 0.952 374 F CB 2.004 41.074 39.000 0.117 0.000 1.307 374 F HN 1.041 nan 8.300 nan 0.000 0.450 375 E N 4.493 124.332 120.200 -0.602 0.000 2.390 375 E HA 0.463 4.813 4.350 0.000 0.000 0.280 375 E C -2.001 174.311 176.600 -0.481 0.000 0.992 375 E CA -1.168 55.044 56.400 -0.314 0.000 0.790 375 E CB 2.127 31.710 29.700 -0.194 0.000 1.248 375 E HN 0.371 nan 8.360 nan 0.000 0.447 376 M N 2.571 122.064 119.600 -0.178 0.000 2.205 376 M HA 0.499 4.979 4.480 0.000 0.000 0.344 376 M C -0.797 175.624 176.300 0.202 0.000 1.085 376 M CA -0.645 54.605 55.300 -0.083 0.000 1.001 376 M CB 0.680 33.216 32.600 -0.106 0.000 1.626 376 M HN 0.609 nan 8.290 nan 0.000 0.442 377 I N 2.622 123.279 120.570 0.146 0.000 2.436 377 I HA 0.355 4.525 4.170 0.000 0.000 0.289 377 I C -0.951 175.182 176.117 0.027 0.000 1.010 377 I CA -0.562 60.745 61.300 0.012 0.000 1.098 377 I CB 2.231 39.968 38.000 -0.438 0.000 1.266 377 I HN 0.716 nan 8.210 nan 0.000 0.434 378 W N 7.797 128.875 121.300 -0.369 0.000 2.278 378 W HA 0.323 4.983 4.660 0.000 0.000 0.317 378 W C -1.192 175.156 176.519 -0.286 0.000 1.030 378 W CA -0.420 56.443 57.345 -0.803 0.000 1.334 378 W CB 1.280 29.805 29.460 -1.559 0.000 1.215 378 W HN 0.482 nan 8.180 nan 0.000 0.405 379 D N 9.612 129.520 120.400 -0.819 0.000 2.473 379 D HA 0.287 4.927 4.640 0.000 0.000 0.226 379 D C -2.099 173.533 176.300 -1.114 0.000 1.089 379 D CA -2.304 51.299 54.000 -0.662 0.000 0.883 379 D CB 1.501 42.105 40.800 -0.327 0.000 1.029 379 D HN 0.089 nan 8.370 nan 0.000 0.517 380 P HA 0.009 nan 4.420 nan 0.000 0.271 380 P C -0.297 176.723 177.300 -0.467 0.000 1.244 380 P CA -0.242 62.252 63.100 -1.010 0.000 0.793 380 P CB 0.444 31.911 31.700 -0.387 0.000 0.984 381 N N -0.344 118.208 118.700 -0.246 0.000 2.725 381 N HA -0.189 4.551 4.740 0.000 0.000 0.280 381 N C 0.847 176.284 175.510 -0.121 0.000 1.017 381 N CA 1.369 54.353 53.050 -0.110 0.000 0.813 381 N CB -1.528 36.920 38.487 -0.065 0.000 0.931 381 N HN 0.821 nan 8.380 nan 0.000 0.570 382 G N -1.581 107.151 108.800 -0.114 0.000 4.162 382 G HA2 0.004 3.964 3.960 0.000 0.000 0.252 382 G HA3 0.004 3.964 3.960 0.000 0.000 0.252 382 G C 0.605 175.514 174.900 0.015 0.000 1.064 382 G CA -0.203 44.841 45.100 -0.094 0.000 0.850 382 G HN 0.497 nan 8.290 nan 0.000 0.454 383 W N 2.191 123.426 121.300 -0.110 0.000 2.704 383 W HA 0.060 4.720 4.660 0.000 0.000 0.266 383 W C 1.401 177.926 176.519 0.010 0.000 1.266 383 W CA 1.641 58.950 57.345 -0.060 0.000 1.377 383 W CB 0.190 29.594 29.460 -0.092 0.000 1.082 383 W HN 0.193 nan 8.180 nan 0.000 0.608 384 T N -2.071 112.634 114.554 0.253 0.000 2.990 384 T HA 0.150 4.500 4.350 0.000 0.000 0.250 384 T C 0.313 175.064 174.700 0.085 0.000 1.041 384 T CA 0.111 62.325 62.100 0.190 0.000 1.010 384 T CB 0.410 69.407 68.868 0.215 0.000 1.003 384 T HN -0.234 nan 8.240 nan 0.000 0.499 385 E N 1.797 122.024 120.200 0.044 0.000 2.222 385 E HA 0.515 4.865 4.350 0.000 0.000 0.267 385 E C -0.903 175.679 176.600 -0.030 0.000 0.963 385 E CA -0.483 55.919 56.400 0.003 0.000 0.837 385 E CB 1.787 31.480 29.700 -0.012 0.000 1.183 385 E HN 0.121 nan 8.360 nan 0.000 0.403 386 T N 2.058 116.591 114.554 -0.035 0.000 2.771 386 T HA 0.521 4.871 4.350 0.000 0.000 0.281 386 T C -0.560 174.098 174.700 -0.069 0.000 0.982 386 T CA -0.624 61.443 62.100 -0.056 0.000 0.978 386 T CB 0.881 69.728 68.868 -0.036 0.000 0.930 386 T HN 0.254 nan 8.240 nan 0.000 0.447 387 D N 0.791 121.130 120.400 -0.102 0.000 3.145 387 D HA 0.415 5.055 4.640 0.000 0.000 0.345 387 D C 0.194 176.418 176.300 -0.127 0.000 1.391 387 D CA -0.524 53.421 54.000 -0.092 0.000 0.930 387 D CB 1.235 41.987 40.800 -0.081 0.000 1.451 387 D HN 0.365 nan 8.370 nan 0.000 0.555 388 S N -0.876 114.773 115.700 -0.085 0.000 2.661 388 S HA 0.094 4.564 4.470 0.000 0.000 0.275 388 S C 0.235 174.872 174.600 0.060 0.000 1.075 388 S CA -0.243 57.914 58.200 -0.070 0.000 1.251 388 S CB 0.683 63.851 63.200 -0.055 0.000 1.167 388 S HN 0.457 nan 8.310 nan 0.000 0.648 389 S N 2.442 118.148 115.700 0.009 0.000 2.562 389 S HA 0.793 5.263 4.470 0.000 0.000 0.275 389 S C -0.429 174.193 174.600 0.037 0.000 1.281 389 S CA -0.640 57.543 58.200 -0.028 0.000 1.045 389 S CB 0.425 63.558 63.200 -0.111 0.000 0.962 389 S HN 0.410 nan 8.310 nan 0.000 0.503 390 F N -1.093 118.762 119.950 -0.159 0.000 2.685 390 F HA 0.705 5.232 4.527 0.000 0.000 0.315 390 F C 0.601 176.320 175.800 -0.135 0.000 1.126 390 F CA -0.884 56.989 58.000 -0.212 0.000 0.950 390 F CB 0.903 39.771 39.000 -0.220 0.000 1.360 390 F HN 0.464 nan 8.300 nan 0.000 0.469 391 S N -0.654 115.004 115.700 -0.070 0.000 2.483 391 S HA 0.443 4.913 4.470 0.000 0.000 0.221 391 S C 0.188 174.848 174.600 0.101 0.000 1.030 391 S CA 0.290 58.465 58.200 -0.041 0.000 0.925 391 S CB 0.286 63.537 63.200 0.085 0.000 0.795 391 S HN 0.468 nan 8.310 nan 0.000 0.511 395 Q N 4.010 124.004 119.800 0.324 0.000 2.333 395 Q HA 0.244 4.584 4.340 0.000 0.000 0.268 395 Q C -1.078 175.066 176.000 0.240 0.000 1.007 395 Q CA -0.728 55.265 55.803 0.317 0.000 0.810 395 Q CB 1.278 30.268 28.738 0.419 0.000 1.264 395 Q HN 0.494 nan 8.270 nan 0.000 0.452 396 D N 4.233 124.778 120.400 0.243 0.000 2.382 396 D HA 0.158 4.798 4.640 0.000 0.000 0.245 396 D C 0.635 177.133 176.300 0.331 0.000 1.120 396 D CA 0.325 54.460 54.000 0.225 0.000 0.890 396 D CB 1.320 42.238 40.800 0.198 0.000 1.201 396 D HN 0.631 nan 8.370 nan 0.000 0.433 397 I N 0.088 120.855 120.570 0.328 0.000 4.228 397 I HA 0.018 4.188 4.170 0.000 0.000 0.298 397 I C -0.149 176.271 176.117 0.504 0.000 1.206 397 I CA 0.261 61.851 61.300 0.484 0.000 1.322 397 I CB 0.937 39.153 38.000 0.360 0.000 1.411 397 I HN 0.055 nan 8.210 nan 0.000 0.454 398 V N 1.729 121.854 119.914 0.352 0.000 2.668 398 V HA 0.565 4.685 4.120 0.000 0.000 0.304 398 V C -0.102 176.070 176.094 0.129 0.000 1.071 398 V CA -1.095 61.353 62.300 0.248 0.000 0.894 398 V CB 1.623 33.626 31.823 0.300 0.000 1.008 398 V HN 0.208 nan 8.190 nan 0.000 0.425 399 A N 4.364 127.201 122.820 0.029 0.000 2.498 399 A HA 0.415 4.735 4.320 0.000 0.000 0.239 399 A C 1.294 178.856 177.584 -0.036 0.000 1.068 399 A CA -0.044 51.983 52.037 -0.017 0.000 0.766 399 A CB -0.084 18.872 19.000 -0.074 0.000 1.003 399 A HN 0.885 nan 8.150 nan 0.000 0.497 400 I N 1.789 122.335 120.570 -0.040 0.000 2.381 400 I HA -0.302 3.868 4.170 0.000 0.000 0.255 400 I C 2.432 178.457 176.117 -0.153 0.000 1.140 400 I CA 2.001 63.259 61.300 -0.071 0.000 1.404 400 I CB -0.908 37.059 38.000 -0.055 0.000 1.075 400 I HN 0.860 nan 8.210 nan 0.000 0.433 401 T N -2.974 111.490 114.554 -0.149 0.000 3.072 401 T HA 0.012 4.362 4.350 0.000 0.000 0.266 401 T C 0.628 175.141 174.700 -0.312 0.000 1.127 401 T CA 0.404 62.381 62.100 -0.206 0.000 1.107 401 T CB -0.242 68.545 68.868 -0.135 0.000 0.910 401 T HN 0.226 nan 8.240 nan 0.000 0.513 402 D N -0.135 120.103 120.400 -0.269 0.000 2.350 402 D HA 0.317 4.957 4.640 0.000 0.000 0.238 402 D C -0.926 175.211 176.300 -0.272 0.000 0.989 402 D CA -0.714 53.119 54.000 -0.279 0.000 0.921 402 D CB 1.250 42.005 40.800 -0.074 0.000 1.297 402 D HN 0.362 nan 8.370 nan 0.000 0.490 403 W N 1.219 122.567 121.300 0.081 0.000 2.238 403 W HA 0.231 4.891 4.660 0.000 0.000 0.321 403 W C 1.260 177.861 176.519 0.136 0.000 1.293 403 W CA -0.269 57.134 57.345 0.097 0.000 1.204 403 W CB 0.758 30.260 29.460 0.070 0.000 1.167 403 W HN 0.274 nan 8.180 nan 0.000 0.553 404 S N 1.775 117.733 115.700 0.431 0.000 3.565 404 S HA 0.986 5.456 4.470 0.000 0.000 0.242 404 S C 0.205 175.013 174.600 0.346 0.000 1.023 404 S CA -0.170 58.242 58.200 0.353 0.000 1.300 404 S CB 1.410 64.832 63.200 0.370 0.000 1.198 404 S HN 0.913 nan 8.310 nan 0.000 0.697 405 G N -0.746 108.257 108.800 0.340 0.000 2.513 405 G HA2 0.319 4.279 3.960 0.000 0.000 0.182 405 G HA3 0.319 4.279 3.960 0.000 0.000 0.182 405 G C -1.668 173.498 174.900 0.443 0.000 1.190 405 G CA -0.786 44.536 45.100 0.371 0.000 0.987 405 G HN 0.548 nan 8.290 nan 0.000 0.479 406 Y N 1.538 121.990 120.300 0.253 0.000 2.757 406 Y HA 0.436 4.986 4.550 0.000 0.000 0.344 406 Y C 1.320 177.308 175.900 0.148 0.000 1.263 406 Y CA 0.161 58.423 58.100 0.271 0.000 1.493 406 Y CB 0.812 39.541 38.460 0.449 0.000 1.342 406 Y HN 0.879 nan 8.280 nan 0.000 0.627 407 S N 0.056 115.716 115.700 -0.066 0.000 2.550 407 S HA 0.925 5.395 4.470 0.000 0.000 0.270 407 S C -0.593 173.410 174.600 -0.995 0.000 1.145 407 S CA -0.338 57.481 58.200 -0.635 0.000 0.852 407 S CB 2.071 65.155 63.200 -0.193 0.000 1.119 407 S HN 1.069 nan 8.310 nan 0.000 0.465 408 G N 0.515 108.212 108.800 -1.839 0.000 2.677 408 G HA2 0.655 4.615 3.960 0.000 0.000 0.291 408 G HA3 0.655 4.615 3.960 0.000 0.000 0.291 408 G C -0.856 173.550 174.900 -0.823 0.000 1.435 408 G CA -0.291 44.248 45.100 -0.933 0.000 0.826 408 G HN 1.449 nan 8.290 nan 0.000 0.491 409 S N -0.936 114.637 115.700 -0.212 0.000 2.654 409 S HA 0.892 5.362 4.470 0.000 0.000 0.283 409 S C -0.566 174.330 174.600 0.494 0.000 1.180 409 S CA -0.613 57.565 58.200 -0.038 0.000 1.021 409 S CB 1.317 64.466 63.200 -0.085 0.000 1.018 409 S HN 1.666 nan 8.310 nan 0.000 0.532 410 F N -0.951 119.217 119.950 0.363 0.000 2.645 410 F HA 0.880 5.407 4.527 0.000 0.000 0.310 410 F C -1.011 174.975 175.800 0.309 0.000 1.102 410 F CA -1.154 57.080 58.000 0.389 0.000 0.952 410 F CB 0.605 39.877 39.000 0.453 0.000 1.326 410 F HN 0.525 nan 8.300 nan 0.000 0.456 411 V N 1.245 121.364 119.914 0.341 0.000 5.412 411 V HA 0.595 4.715 4.120 0.000 0.000 0.289 411 V C 0.311 176.497 176.094 0.153 0.000 1.523 411 V CA 0.092 62.461 62.300 0.115 0.000 0.771 411 V CB 1.407 33.340 31.823 0.184 0.000 1.379 411 V HN 1.365 nan 8.190 nan 0.000 0.431 412 L N -1.113 120.142 121.223 0.054 0.000 2.260 412 L HA -0.220 4.120 4.340 0.000 0.000 0.472 412 L C 1.325 178.210 176.870 0.026 0.000 0.712 412 L CA 2.707 57.572 54.840 0.041 0.000 3.149 412 L CB -1.706 40.379 42.059 0.044 0.000 0.710 412 L HN 0.682 nan 8.230 nan 0.000 0.750 413 T N -0.465 114.100 114.554 0.018 0.000 2.937 413 T HA 0.414 4.764 4.350 0.000 0.000 0.260 413 T C 1.514 176.214 174.700 -0.000 0.000 1.051 413 T CA 1.737 63.839 62.100 0.003 0.000 1.141 413 T CB -0.033 68.826 68.868 -0.015 0.000 0.879 413 T HN 1.404 nan 8.240 nan 0.000 0.459 414 G N 0.573 109.375 108.800 0.003 0.000 2.217 414 G HA2 -0.193 3.767 3.960 0.000 0.000 0.246 414 G HA3 -0.193 3.767 3.960 0.000 0.000 0.246 414 G C 0.042 174.937 174.900 -0.007 0.000 0.990 414 G CA -0.142 44.958 45.100 0.001 0.000 0.627 414 G HN 0.375 nan 8.290 nan 0.000 0.522 415 L N 2.027 123.241 121.223 -0.015 0.000 2.474 415 L HA 0.374 4.714 4.340 0.000 0.000 0.259 415 L C 1.433 178.292 176.870 -0.018 0.000 1.232 415 L CA 0.786 55.611 54.840 -0.025 0.000 0.821 415 L CB 0.548 42.583 42.059 -0.040 0.000 1.108 415 L HN 0.390 nan 8.230 nan 0.000 0.495 416 D N -0.859 119.527 120.400 -0.022 0.000 2.388 416 D HA 0.109 4.750 4.640 0.000 0.000 0.221 416 D C -0.141 176.148 176.300 -0.019 0.000 1.133 416 D CA -0.129 53.862 54.000 -0.016 0.000 0.831 416 D CB -0.093 40.698 40.800 -0.015 0.000 0.962 416 D HN 0.437 nan 8.370 nan 0.000 0.502 417 c N -1.541 117.043 118.600 -0.026 0.000 3.332 417 c HA 0.704 5.274 4.570 0.000 0.000 0.329 417 c C -0.387 173.681 174.090 -0.038 0.000 1.434 417 c CA -1.301 55.010 56.329 -0.030 0.000 1.314 417 c CB 0.626 43.113 42.510 -0.039 0.000 1.664 417 c HN 0.099 nan 8.230 nan 0.000 0.457 418 I N 2.049 122.594 120.570 -0.042 0.000 2.342 418 I HA 0.354 4.525 4.170 0.000 0.000 0.291 418 I C 0.580 176.631 176.117 -0.110 0.000 1.010 418 I CA -0.135 61.137 61.300 -0.047 0.000 1.308 418 I CB 0.629 38.622 38.000 -0.012 0.000 1.400 418 I HN 0.536 nan 8.210 nan 0.000 0.488 419 R N 7.903 128.326 120.500 -0.128 0.000 2.267 419 R HA 0.309 4.649 4.340 0.000 0.000 0.319 419 R C -2.421 173.697 176.300 -0.303 0.000 1.067 419 R CA -1.417 54.554 56.100 -0.215 0.000 0.936 419 R CB 1.019 31.198 30.300 -0.201 0.000 1.006 419 R HN 0.311 nan 8.270 nan 0.000 0.452 420 P HA 0.266 nan 4.420 nan 0.000 0.290 420 P C -0.673 176.375 177.300 -0.419 0.000 1.276 420 P CA -0.410 62.283 63.100 -0.679 0.000 0.808 420 P CB 1.264 32.193 31.700 -1.285 0.000 0.966 421 c N 3.185 121.566 118.600 -0.366 0.000 3.285 421 c HA 0.851 5.421 4.570 0.000 0.000 0.320 421 c C -0.506 173.450 174.090 -0.223 0.000 1.411 421 c CA -0.380 55.667 56.329 -0.470 0.000 1.429 421 c CB 1.382 43.011 42.510 -1.468 0.000 1.812 421 c HN 0.731 nan 8.230 nan 0.000 0.454 422 F N -0.565 119.260 119.950 -0.208 0.000 2.713 422 F HA 0.865 5.393 4.527 0.000 0.000 0.311 422 F C -1.530 174.417 175.800 0.245 0.000 1.141 422 F CA -1.248 56.605 58.000 -0.245 0.000 0.939 422 F CB 0.833 39.188 39.000 -1.074 0.000 1.325 422 F HN 0.838 nan 8.300 nan 0.000 0.453 423 W N 1.097 122.644 121.300 0.412 0.000 2.882 423 W HA 0.873 5.533 4.660 0.000 0.000 0.345 423 W C -2.286 174.402 176.519 0.282 0.000 1.125 423 W CA -1.636 55.897 57.345 0.314 0.000 1.167 423 W CB 1.030 30.640 29.460 0.250 0.000 1.431 423 W HN 0.547 nan 8.180 nan 0.000 0.543 424 V N 1.243 121.453 119.914 0.493 0.000 2.686 424 V HA 0.197 4.317 4.120 0.000 0.000 0.306 424 V C -0.318 176.028 176.094 0.421 0.000 1.065 424 V CA -0.822 61.612 62.300 0.224 0.000 0.894 424 V CB 1.716 33.468 31.823 -0.118 0.000 1.004 424 V HN 0.633 nan 8.190 nan 0.000 0.424 425 E N 4.700 125.187 120.200 0.479 0.000 2.229 425 E HA 0.450 4.800 4.350 0.000 0.000 0.283 425 E C -1.244 175.528 176.600 0.286 0.000 1.030 425 E CA -0.552 56.088 56.400 0.399 0.000 0.836 425 E CB 1.037 31.017 29.700 0.466 0.000 1.068 425 E HN 0.650 nan 8.360 nan 0.000 0.401 426 L N 7.034 128.399 121.223 0.237 0.000 2.287 426 L HA 0.373 4.713 4.340 0.000 0.000 0.280 426 L C -0.065 176.926 176.870 0.202 0.000 1.055 426 L CA -0.575 54.406 54.840 0.236 0.000 0.863 426 L CB 0.465 42.660 42.059 0.227 0.000 1.245 426 L HN 0.538 nan 8.230 nan 0.000 0.432 427 I N 4.182 124.871 120.570 0.197 0.000 2.452 427 I HA 0.211 4.381 4.170 0.000 0.000 0.287 427 I C 0.237 176.361 176.117 0.011 0.000 1.079 427 I CA -0.183 61.176 61.300 0.098 0.000 1.387 427 I CB 0.339 38.374 38.000 0.058 0.000 1.404 427 I HN 0.502 nan 8.210 nan 0.000 0.522 428 R N 4.375 124.854 120.500 -0.036 0.000 2.778 428 R HA 0.792 5.132 4.340 0.000 0.000 0.277 428 R C 0.282 176.321 176.300 -0.435 0.000 0.977 428 R CA -0.437 55.553 56.100 -0.182 0.000 0.950 428 R CB 1.532 31.823 30.300 -0.014 0.000 1.165 428 R HN 0.885 nan 8.270 nan 0.000 0.474 429 G N 1.571 109.962 108.800 -0.681 0.000 2.466 429 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 429 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 429 G C -0.811 173.727 174.900 -0.604 0.000 1.237 429 G CA -0.652 43.905 45.100 -0.904 0.000 0.954 429 G HN 0.506 nan 8.290 nan 0.000 0.580 430 R N 1.677 121.881 120.500 -0.493 0.000 2.694 430 R HA 0.349 4.689 4.340 0.000 0.000 0.268 430 R C -1.136 175.002 176.300 -0.271 0.000 1.061 430 R CA -0.493 55.411 56.100 -0.327 0.000 1.133 430 R CB 0.720 30.882 30.300 -0.229 0.000 1.020 430 R HN 0.450 nan 8.270 nan 0.000 0.475 431 P HA 0.016 nan 4.420 nan 0.000 0.251 431 P C -0.038 177.118 177.300 -0.241 0.000 1.223 431 P CA 0.618 63.600 63.100 -0.196 0.000 0.796 431 P CB 0.520 32.147 31.700 -0.122 0.000 1.068 432 K N 0.313 120.483 120.400 -0.383 0.000 2.432 432 K HA 0.122 4.442 4.320 0.000 0.000 0.196 432 K C 0.874 177.263 176.600 -0.353 0.000 1.038 432 K CA 0.579 56.601 56.287 -0.441 0.000 0.986 432 K CB 0.474 32.375 32.500 -0.998 0.000 0.782 432 K HN 0.430 nan 8.250 nan 0.000 0.485 436 T N -0.682 113.692 114.554 -0.300 0.000 2.804 436 T HA 0.784 5.134 4.350 0.000 0.000 0.272 436 T C 1.080 175.609 174.700 -0.285 0.000 0.986 436 T CA -0.490 61.386 62.100 -0.373 0.000 0.999 436 T CB 0.938 69.226 68.868 -0.967 0.000 1.307 436 T HN 0.893 nan 8.240 nan 0.000 0.586 437 I N -2.746 117.716 120.570 -0.181 0.000 4.082 437 I HA 0.481 4.651 4.170 0.000 0.000 0.337 437 I C 0.024 176.169 176.117 0.046 0.000 1.352 437 I CA -0.934 60.354 61.300 -0.020 0.000 1.097 437 I CB 0.166 38.228 38.000 0.103 0.000 1.048 437 I HN 0.623 nan 8.210 nan 0.000 0.393 438 W N 0.758 122.020 121.300 -0.064 0.000 3.055 438 W HA 0.755 5.415 4.660 0.000 0.000 0.340 438 W C -1.374 175.088 176.519 -0.096 0.000 1.180 438 W CA -1.186 56.120 57.345 -0.065 0.000 1.077 438 W CB 0.701 30.124 29.460 -0.061 0.000 1.479 438 W HN -0.302 nan 8.180 nan 0.000 0.593 439 T N 1.615 116.330 114.554 0.268 0.000 3.109 439 T HA 0.422 4.772 4.350 0.000 0.000 0.311 439 T C -1.216 173.645 174.700 0.269 0.000 1.011 439 T CA -0.231 61.932 62.100 0.106 0.000 1.026 439 T CB 1.748 70.604 68.868 -0.019 0.000 1.047 439 T HN 0.578 nan 8.240 nan 0.000 0.448 440 S N 1.506 117.388 115.700 0.304 0.000 2.625 440 S HA 0.915 5.385 4.470 0.000 0.000 0.271 440 S C -0.956 173.733 174.600 0.148 0.000 1.161 440 S CA -0.418 57.906 58.200 0.207 0.000 0.820 440 S CB 1.771 65.082 63.200 0.184 0.000 1.137 440 S HN 1.062 nan 8.310 nan 0.000 0.470 441 G N 0.822 109.676 108.800 0.090 0.000 2.612 441 G HA2 0.612 4.572 3.960 0.000 0.000 0.298 441 G HA3 0.612 4.572 3.960 0.000 0.000 0.298 441 G C -1.057 173.884 174.900 0.068 0.000 1.336 441 G CA -0.393 44.763 45.100 0.094 0.000 0.953 441 G HN 0.685 nan 8.290 nan 0.000 0.482 442 S N -0.768 114.991 115.700 0.099 0.000 2.730 442 S HA 0.827 5.297 4.470 0.000 0.000 0.284 442 S C 0.330 174.992 174.600 0.103 0.000 1.153 442 S CA -0.380 57.866 58.200 0.076 0.000 0.995 442 S CB 1.417 64.680 63.200 0.104 0.000 1.058 442 S HN 1.263 nan 8.310 nan 0.000 0.552 443 S N 0.325 116.072 115.700 0.078 0.000 2.569 443 S HA 0.839 5.309 4.470 0.000 0.000 0.280 443 S C -0.825 173.838 174.600 0.104 0.000 1.111 443 S CA -0.917 57.357 58.200 0.122 0.000 0.887 443 S CB 0.961 64.197 63.200 0.061 0.000 1.095 443 S HN 0.772 nan 8.310 nan 0.000 0.476 444 I N -1.104 119.560 120.570 0.157 0.000 2.913 444 I HA 0.882 5.052 4.170 0.000 0.000 0.302 444 I C -0.908 175.270 176.117 0.101 0.000 1.246 444 I CA -0.909 60.423 61.300 0.053 0.000 1.010 444 I CB 2.232 40.305 38.000 0.122 0.000 1.259 444 I HN 0.884 nan 8.210 nan 0.000 0.434 445 S N 2.456 118.071 115.700 -0.140 0.000 2.564 445 S HA 0.850 5.320 4.470 0.000 0.000 0.274 445 S C -1.327 173.014 174.600 -0.431 0.000 1.124 445 S CA -0.583 57.625 58.200 0.014 0.000 0.869 445 S CB 1.925 65.322 63.200 0.328 0.000 1.105 445 S HN 0.582 nan 8.310 nan 0.000 0.472 446 F N -0.536 119.139 119.950 -0.459 0.000 2.629 446 F HA 0.803 5.330 4.527 0.000 0.000 0.316 446 F C -0.036 175.572 175.800 -0.320 0.000 1.081 446 F CA -0.877 56.870 58.000 -0.422 0.000 0.954 446 F CB 1.789 40.406 39.000 -0.639 0.000 1.337 446 F HN 0.838 nan 8.300 nan 0.000 0.474 447 c N 0.388 119.005 118.600 0.028 0.000 2.889 447 c HA 0.659 5.229 4.570 0.000 0.000 0.307 447 c C 1.448 175.452 174.090 -0.144 0.000 1.251 447 c CA -0.274 55.981 56.329 -0.122 0.000 1.593 447 c CB 1.294 43.581 42.510 -0.371 0.000 2.104 447 c HN 1.081 nan 8.230 nan 0.000 0.476 448 G N 0.943 109.510 108.800 -0.388 0.000 3.029 448 G HA2 0.086 4.046 3.960 0.000 0.000 0.206 448 G HA3 0.086 4.046 3.960 0.000 0.000 0.206 448 G C 0.241 174.771 174.900 -0.617 0.000 1.295 448 G CA 1.792 46.446 45.100 -0.744 0.000 0.767 448 G HN 1.556 nan 8.290 nan 0.000 0.832 449 V N -1.059 118.604 119.914 -0.419 0.000 3.313 449 V HA -0.171 3.949 4.120 0.000 0.000 0.477 449 V C 0.646 176.562 176.094 -0.296 0.000 0.682 449 V CA 0.502 62.620 62.300 -0.302 0.000 2.019 449 V CB -0.887 30.797 31.823 -0.231 0.000 2.473 449 V HN 0.808 nan 8.190 nan 0.000 0.500 450 N N 1.282 119.859 118.700 -0.205 0.000 2.305 450 N HA 0.024 4.764 4.740 0.000 0.000 0.179 450 N C 1.141 176.572 175.510 -0.132 0.000 1.019 450 N CA 1.090 54.037 53.050 -0.172 0.000 0.869 450 N CB -0.069 38.341 38.487 -0.128 0.000 1.000 450 N HN 1.046 nan 8.380 nan 0.000 0.431 451 S N -0.007 115.630 115.700 -0.104 0.000 2.680 451 S HA 0.061 4.531 4.470 0.000 0.000 0.249 451 S C 0.048 174.611 174.600 -0.062 0.000 1.358 451 S CA -0.409 57.751 58.200 -0.067 0.000 0.963 451 S CB 0.284 63.455 63.200 -0.049 0.000 0.984 451 S HN 0.175 nan 8.310 nan 0.000 0.584 452 D N -1.227 119.158 120.400 -0.026 0.000 2.326 452 D HA 0.669 5.309 4.640 0.000 0.000 0.248 452 D C -0.037 176.282 176.300 0.033 0.000 1.001 452 D CA -0.281 53.718 54.000 -0.002 0.000 0.961 452 D CB 1.763 42.573 40.800 0.018 0.000 1.183 452 D HN 0.637 nan 8.370 nan 0.000 0.502 453 T N -0.454 114.144 114.554 0.074 0.000 2.678 453 T HA 0.731 5.081 4.350 0.000 0.000 0.260 453 T C -0.813 173.991 174.700 0.173 0.000 0.932 453 T CA -0.637 61.548 62.100 0.141 0.000 1.043 453 T CB 1.001 69.986 68.868 0.195 0.000 1.413 453 T HN 0.212 nan 8.240 nan 0.000 0.568 454 V N -0.406 119.664 119.914 0.261 0.000 3.048 454 V HA 0.717 4.837 4.120 0.000 0.000 0.303 454 V C 0.214 176.542 176.094 0.390 0.000 1.214 454 V CA -1.236 61.215 62.300 0.253 0.000 0.984 454 V CB 1.763 33.687 31.823 0.169 0.000 1.054 454 V HN 1.112 nan 8.190 nan 0.000 0.430 455 G N 0.341 109.342 108.800 0.336 0.000 2.476 455 G HA2 0.607 4.567 3.960 0.000 0.000 0.286 455 G HA3 0.607 4.567 3.960 0.000 0.000 0.286 455 G C -1.375 173.785 174.900 0.433 0.000 1.177 455 G CA 0.028 45.371 45.100 0.406 0.000 0.870 455 G HN 0.816 nan 8.290 nan 0.000 0.528 456 W N -0.746 120.629 121.300 0.125 0.000 2.664 456 W HA 0.555 5.216 4.660 0.000 0.000 0.447 456 W C -1.122 175.286 176.519 -0.185 0.000 0.951 456 W CA -0.664 56.552 57.345 -0.214 0.000 1.322 456 W CB 0.829 29.852 29.460 -0.727 0.000 1.403 456 W HN 0.739 nan 8.180 nan 0.000 0.638 457 S N 1.590 116.805 115.700 -0.809 0.000 2.733 457 S HA 0.512 4.982 4.470 0.000 0.000 0.294 457 S C -1.639 172.538 174.600 -0.706 0.000 1.149 457 S CA -0.425 57.462 58.200 -0.523 0.000 1.034 457 S CB 0.232 63.149 63.200 -0.472 0.000 1.015 457 S HN 0.318 nan 8.310 nan 0.000 0.486 458 W N 6.970 128.276 121.300 0.009 0.000 2.149 458 W HA 0.292 4.952 4.660 0.000 0.000 0.291 458 W C -2.601 173.965 176.519 0.078 0.000 0.875 458 W CA -1.775 55.603 57.345 0.054 0.000 1.885 458 W CB 0.877 30.483 29.460 0.243 0.000 2.062 458 W HN 0.517 nan 8.180 nan 0.000 0.391 459 P HA 0.001 nan 4.420 nan 0.000 0.276 459 P C 0.888 178.283 177.300 0.159 0.000 1.261 459 P CA 0.102 63.284 63.100 0.137 0.000 0.800 459 P CB 1.800 33.523 31.700 0.038 0.000 1.066 460 D N 0.754 121.257 120.400 0.172 0.000 2.087 460 D HA -0.179 4.461 4.640 0.000 0.000 0.192 460 D C 1.201 177.588 176.300 0.145 0.000 0.993 460 D CA 2.412 56.514 54.000 0.169 0.000 0.828 460 D CB -0.697 40.218 40.800 0.192 0.000 0.968 460 D HN 0.704 nan 8.370 nan 0.000 0.448 461 G N 0.280 109.161 108.800 0.135 0.000 2.141 461 G HA2 -0.122 3.838 3.960 0.000 0.000 0.242 461 G HA3 -0.122 3.838 3.960 0.000 0.000 0.242 461 G C 0.314 175.303 174.900 0.147 0.000 0.982 461 G CA 0.698 45.868 45.100 0.116 0.000 0.662 461 G HN 0.781 nan 8.290 nan 0.000 0.527 462 A N -0.114 122.823 122.820 0.194 0.000 2.316 462 A HA 0.694 5.014 4.320 0.000 0.000 0.284 462 A C 0.282 178.034 177.584 0.281 0.000 1.115 462 A CA -0.216 51.986 52.037 0.275 0.000 0.812 462 A CB 0.533 19.741 19.000 0.348 0.000 1.064 462 A HN 0.396 nan 8.150 nan 0.000 0.489 463 E N 1.404 121.804 120.200 0.334 0.000 2.130 463 E HA 0.440 4.790 4.350 0.000 0.000 0.284 463 E C -1.010 175.829 176.600 0.397 0.000 1.018 463 E CA -0.049 56.517 56.400 0.277 0.000 0.817 463 E CB 0.972 30.783 29.700 0.185 0.000 1.078 463 E HN 0.523 nan 8.360 nan 0.000 0.396 464 L N 4.275 125.661 121.223 0.272 0.000 2.330 464 L HA 0.544 4.884 4.340 0.000 0.000 0.271 464 L C -1.593 175.382 176.870 0.174 0.000 1.013 464 L CA -1.954 53.032 54.840 0.244 0.000 0.816 464 L CB 0.953 43.054 42.059 0.070 0.000 1.287 464 L HN 0.447 nan 8.230 nan 0.000 0.435 465 P HA 0.328 nan 4.420 nan 0.000 0.277 465 P C -1.048 176.535 177.300 0.471 0.000 1.271 465 P CA -0.371 62.869 63.100 0.234 0.000 0.795 465 P CB 0.796 32.581 31.700 0.141 0.000 1.101 466 F N -0.829 119.273 119.950 0.254 0.000 2.410 466 F HA 0.177 4.704 4.527 0.000 0.000 0.324 466 F C 2.128 178.009 175.800 0.135 0.000 1.093 466 F CA -0.964 57.157 58.000 0.201 0.000 1.028 466 F CB -0.385 38.756 39.000 0.234 0.000 1.309 466 F HN 0.235 nan 8.300 nan 0.000 0.499 467 T N 1.690 116.367 114.554 0.204 0.000 2.946 467 T HA -0.066 4.285 4.350 0.000 0.000 0.270 467 T C 0.678 175.467 174.700 0.147 0.000 1.129 467 T CA 1.198 63.364 62.100 0.110 0.000 1.103 467 T CB -0.761 68.121 68.868 0.023 0.000 0.839 467 T HN 0.374 nan 8.240 nan 0.000 0.544 468 I N 0.000 120.717 120.570 0.246 0.000 2.984 468 I HA 0.000 4.170 4.170 0.000 0.000 0.288 468 I CA 0.000 61.444 61.300 0.241 0.000 1.566 468 I CB 0.000 38.099 38.000 0.166 0.000 1.214 468 I HN 0.000 nan 8.210 nan 0.000 0.494