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 2hu4_1_F 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 XSGAYGVKGF 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 0.000 176.036 176.094 -0.096 0.000 1.182 83 V CA 0.000 62.259 62.300 -0.068 0.000 1.235 83 V CB 0.000 31.799 31.823 -0.040 0.000 1.184 84 K N 2.535 122.902 120.400 -0.056 0.000 2.336 84 K HA 0.424 4.744 4.320 -0.001 0.000 0.262 84 K C -0.428 176.157 176.600 -0.026 0.000 0.992 84 K CA -0.261 56.000 56.287 -0.044 0.000 0.927 84 K CB 0.204 32.695 32.500 -0.016 0.000 0.956 84 K HN 0.420 nan 8.250 nan 0.000 0.495 85 L N 2.550 123.770 121.223 -0.006 0.000 2.407 85 L HA 0.160 4.500 4.340 -0.001 0.000 0.282 85 L C -0.012 176.879 176.870 0.035 0.000 1.110 85 L CA 0.321 55.176 54.840 0.025 0.000 0.863 85 L CB -0.321 41.770 42.059 0.053 0.000 1.207 85 L HN 0.707 nan 8.230 nan 0.000 0.454 86 A N 3.153 125.991 122.820 0.029 0.000 2.440 86 A HA 0.538 4.858 4.320 -0.001 0.000 0.251 86 A C 1.024 178.632 177.584 0.039 0.000 1.089 86 A CA 0.247 52.302 52.037 0.031 0.000 0.779 86 A CB 0.187 19.200 19.000 0.021 0.000 1.022 86 A HN 0.841 nan 8.150 nan 0.000 0.492 87 G N 0.891 109.717 108.800 0.043 0.000 4.044 87 G HA2 0.141 4.100 3.960 -0.001 0.000 0.297 87 G HA3 0.141 4.100 3.960 -0.001 0.000 0.297 87 G C 0.509 175.421 174.900 0.020 0.000 1.101 87 G CA 0.237 45.362 45.100 0.042 0.000 0.884 87 G HN 0.947 nan 8.290 nan 0.000 0.538 88 N N -0.832 117.876 118.700 0.014 0.000 2.446 88 N HA 0.002 4.741 4.740 -0.001 0.000 0.179 88 N C 1.323 176.830 175.510 -0.005 0.000 1.054 88 N CA 0.054 53.105 53.050 0.002 0.000 0.905 88 N CB 0.196 38.686 38.487 0.004 0.000 0.973 88 N HN 0.171 nan 8.380 nan 0.000 0.448 89 S N 0.015 115.715 115.700 0.000 0.000 2.617 89 S HA 0.222 4.691 4.470 -0.001 0.000 0.259 89 S C 0.047 174.639 174.600 -0.014 0.000 1.301 89 S CA -0.564 57.632 58.200 -0.006 0.000 0.984 89 S CB 0.945 64.143 63.200 -0.003 0.000 0.954 89 S HN 0.268 nan 8.310 nan 0.000 0.572 90 S N 0.715 116.402 115.700 -0.022 0.000 2.704 90 S HA 0.529 4.999 4.470 -0.001 0.000 0.305 90 S C -0.503 174.067 174.600 -0.049 0.000 1.107 90 S CA -0.784 57.393 58.200 -0.038 0.000 0.993 90 S CB 0.769 63.946 63.200 -0.039 0.000 1.110 90 S HN 0.663 nan 8.310 nan 0.000 0.534 91 L N 1.287 122.455 121.223 -0.093 0.000 2.456 91 L HA 0.152 4.492 4.340 -0.001 0.000 0.272 91 L C -0.019 176.832 176.870 -0.031 0.000 1.189 91 L CA -0.515 54.249 54.840 -0.127 0.000 0.846 91 L CB -0.094 41.769 42.059 -0.327 0.000 1.111 91 L HN 0.647 nan 8.230 nan 0.000 0.475 92 c N 3.535 122.107 118.600 -0.047 0.000 2.662 92 c HA 0.215 4.785 4.570 -0.001 0.000 0.420 92 c C -1.614 172.485 174.090 0.014 0.000 1.314 92 c CA -1.022 55.283 56.329 -0.040 0.000 1.963 92 c CB -0.420 42.024 42.510 -0.109 0.000 2.686 92 c HN 0.519 nan 8.230 nan 0.000 0.609 93 P HA 0.445 nan 4.420 nan 0.000 0.280 93 P C -0.734 176.419 177.300 -0.245 0.000 1.244 93 P CA 0.304 63.337 63.100 -0.112 0.000 0.784 93 P CB 0.636 32.284 31.700 -0.087 0.000 0.913 94 I N -0.621 119.703 120.570 -0.411 0.000 3.074 94 I HA 0.488 4.658 4.170 -0.001 0.000 0.310 94 I C 0.172 176.038 176.117 -0.418 0.000 1.153 94 I CA -1.038 59.992 61.300 -0.450 0.000 0.993 94 I CB 2.257 39.856 38.000 -0.668 0.000 1.237 94 I HN 0.028 nan 8.210 nan 0.000 0.443 95 N N 1.088 119.573 118.700 -0.360 0.000 2.460 95 N HA 0.341 5.081 4.740 -0.001 0.000 0.193 95 N C 0.336 175.756 175.510 -0.150 0.000 1.080 95 N CA 0.621 53.541 53.050 -0.216 0.000 0.869 95 N CB 1.715 40.115 38.487 -0.145 0.000 1.201 95 N HN 0.926 nan 8.380 nan 0.000 0.457 96 G N -0.500 108.055 108.800 -0.410 0.000 2.634 96 G HA2 0.478 4.437 3.960 -0.001 0.000 0.309 96 G HA3 0.478 4.437 3.960 -0.001 0.000 0.309 96 G C -2.141 172.264 174.900 -0.824 0.000 1.299 96 G CA -0.730 44.105 45.100 -0.442 0.000 0.798 96 G HN 0.059 nan 8.290 nan 0.000 0.490 97 W N 0.163 121.432 121.300 -0.052 0.000 2.702 97 W HA 0.733 5.393 4.660 -0.001 0.000 0.331 97 W C 0.151 176.768 176.519 0.163 0.000 1.049 97 W CA -0.629 56.729 57.345 0.023 0.000 1.230 97 W CB 2.303 31.809 29.460 0.077 0.000 1.408 97 W HN 0.723 nan 8.180 nan 0.000 0.492 98 A N 2.304 125.323 122.820 0.331 0.000 2.317 98 A HA 0.738 5.058 4.320 -0.001 0.000 0.327 98 A C -0.440 177.292 177.584 0.246 0.000 1.178 98 A CA -0.824 51.369 52.037 0.259 0.000 0.817 98 A CB 0.485 19.548 19.000 0.106 0.000 1.189 98 A HN 0.567 nan 8.150 nan 0.000 0.489 99 V N 1.822 121.764 119.914 0.048 0.000 2.599 99 V HA -0.011 4.109 4.120 -0.001 0.000 0.300 99 V C 0.720 176.646 176.094 -0.281 0.000 1.034 99 V CA 0.509 62.478 62.300 -0.552 0.000 1.115 99 V CB -0.484 30.909 31.823 -0.716 0.000 0.934 99 V HN 0.958 nan 8.190 nan 0.000 0.485 100 Y N 3.114 123.085 120.300 -0.548 0.000 2.594 100 Y HA 0.318 4.867 4.550 -0.001 0.000 0.283 100 Y C 1.216 176.959 175.900 -0.262 0.000 1.140 100 Y CA 0.534 58.471 58.100 -0.272 0.000 1.261 100 Y CB 0.695 39.081 38.460 -0.124 0.000 1.358 100 Y HN 0.869 nan 8.280 nan 0.000 0.513 101 S N -0.190 115.267 115.700 -0.406 0.000 2.588 101 S HA 0.549 5.019 4.470 -0.001 0.000 0.269 101 S C -1.481 172.930 174.600 -0.315 0.000 1.157 101 S CA -1.028 56.945 58.200 -0.378 0.000 0.824 101 S CB 2.798 65.781 63.200 -0.362 0.000 1.126 101 S HN 0.143 nan 8.310 nan 0.000 0.464 102 K N 0.540 120.810 120.400 -0.216 0.000 2.589 102 K HA 0.312 4.632 4.320 -0.001 0.000 0.253 102 K C -1.142 175.402 176.600 -0.093 0.000 0.974 102 K CA -0.338 55.873 56.287 -0.127 0.000 0.835 102 K CB 1.331 33.783 32.500 -0.078 0.000 1.272 102 K HN 0.784 nan 8.250 nan 0.000 0.444 103 D N 2.354 122.707 120.400 -0.078 0.000 2.366 103 D HA -0.018 4.622 4.640 -0.001 0.000 0.205 103 D C -0.193 176.075 176.300 -0.052 0.000 1.022 103 D CA 0.182 54.132 54.000 -0.084 0.000 0.868 103 D CB -0.203 40.525 40.800 -0.119 0.000 0.953 103 D HN 0.744 nan 8.370 nan 0.000 0.514 104 N N -0.199 118.492 118.700 -0.014 0.000 2.696 104 N HA -0.286 4.454 4.740 -0.001 0.000 0.249 104 N C 0.939 176.447 175.510 -0.004 0.000 1.090 104 N CA 0.746 53.805 53.050 0.014 0.000 0.716 104 N CB -1.343 37.157 38.487 0.022 0.000 1.020 104 N HN 0.400 nan 8.380 nan 0.000 0.548 105 S N -0.221 115.456 115.700 -0.038 0.000 2.370 105 S HA -0.171 4.298 4.470 -0.001 0.000 0.226 105 S C 1.583 176.167 174.600 -0.027 0.000 1.033 105 S CA 1.296 59.454 58.200 -0.069 0.000 1.011 105 S CB -0.217 62.902 63.200 -0.135 0.000 0.852 105 S HN 0.486 nan 8.310 nan 0.000 0.457 106 I N 1.240 121.821 120.570 0.020 0.000 2.252 106 I HA -0.112 4.058 4.170 -0.001 0.000 0.245 106 I C 3.151 179.389 176.117 0.201 0.000 1.102 106 I CA 1.222 62.568 61.300 0.077 0.000 1.385 106 I CB -0.394 37.667 38.000 0.101 0.000 1.064 106 I HN 0.242 nan 8.210 nan 0.000 0.414 107 R N 0.939 121.535 120.500 0.159 0.000 2.083 107 R HA -0.128 4.212 4.340 -0.001 0.000 0.237 107 R C 2.362 178.710 176.300 0.079 0.000 1.137 107 R CA 1.560 57.752 56.100 0.154 0.000 0.951 107 R CB -0.304 30.057 30.300 0.102 0.000 0.851 107 R HN 0.323 nan 8.270 nan 0.000 0.434 108 I N -0.346 120.244 120.570 0.034 0.000 2.226 108 I HA -0.174 3.996 4.170 -0.001 0.000 0.245 108 I C 2.402 178.503 176.117 -0.027 0.000 1.100 108 I CA 1.405 62.698 61.300 -0.011 0.000 1.374 108 I CB -0.659 37.320 38.000 -0.034 0.000 1.057 108 I HN 0.345 nan 8.210 nan 0.000 0.413 109 G N -0.189 108.607 108.800 -0.006 0.000 2.501 109 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.220 109 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.220 109 G C 1.694 176.587 174.900 -0.011 0.000 1.114 109 G CA 0.983 46.071 45.100 -0.021 0.000 0.757 109 G HN 0.400 nan 8.290 nan 0.000 0.559 110 S N -0.547 115.120 115.700 -0.056 0.000 2.440 110 S HA -0.084 4.386 4.470 -0.001 0.000 0.238 110 S C 1.981 176.424 174.600 -0.262 0.000 1.010 110 S CA 2.132 60.089 58.200 -0.404 0.000 0.972 110 S CB -0.128 62.766 63.200 -0.510 0.000 0.774 110 S HN 0.618 nan 8.310 nan 0.000 0.501 111 K N -1.103 119.210 120.400 -0.146 0.000 2.703 111 K HA 0.248 4.567 4.320 -0.001 0.000 0.196 111 K C 1.045 177.597 176.600 -0.079 0.000 1.457 111 K CA 0.498 56.719 56.287 -0.109 0.000 1.115 111 K CB -0.241 32.204 32.500 -0.091 0.000 1.661 111 K HN 0.256 nan 8.250 nan 0.000 0.552 112 G N 1.270 110.026 108.800 -0.073 0.000 2.664 112 G HA2 0.027 3.987 3.960 -0.001 0.000 0.242 112 G HA3 0.027 3.987 3.960 -0.001 0.000 0.242 112 G C -0.672 174.166 174.900 -0.104 0.000 1.225 112 G CA -0.239 44.820 45.100 -0.067 0.000 0.849 112 G HN 0.304 nan 8.290 nan 0.000 0.581 113 D N 0.543 120.869 120.400 -0.124 0.000 2.558 113 D HA 0.235 4.874 4.640 -0.001 0.000 0.221 113 D C -0.003 176.049 176.300 -0.412 0.000 1.143 113 D CA 0.222 54.070 54.000 -0.253 0.000 1.010 113 D CB 0.860 41.490 40.800 -0.283 0.000 1.068 113 D HN -0.042 nan 8.370 nan 0.000 0.511 114 V N 2.276 122.002 119.914 -0.312 0.000 2.483 114 V HA 0.315 4.434 4.120 -0.001 0.000 0.295 114 V C 0.454 176.391 176.094 -0.262 0.000 1.035 114 V CA -0.892 61.216 62.300 -0.320 0.000 0.896 114 V CB 1.354 33.057 31.823 -0.201 0.000 0.986 114 V HN 0.260 nan 8.190 nan 0.000 0.447 115 F N 2.774 122.592 119.950 -0.220 0.000 2.518 115 F HA 0.200 4.726 4.527 -0.001 0.000 0.359 115 F C 0.623 176.316 175.800 -0.177 0.000 1.118 115 F CA 0.033 57.928 58.000 -0.176 0.000 1.287 115 F CB 1.140 40.052 39.000 -0.148 0.000 1.132 115 F HN 0.344 nan 8.300 nan 0.000 0.587 116 V N 7.086 127.074 119.914 0.122 0.000 2.488 116 V HA 0.491 4.611 4.120 -0.001 0.000 0.277 116 V C -0.207 175.908 176.094 0.036 0.000 1.046 116 V CA -0.214 62.098 62.300 0.020 0.000 0.986 116 V CB 0.217 32.054 31.823 0.024 0.000 0.989 116 V HN 0.645 nan 8.190 nan 0.000 0.475 117 I N 4.640 125.211 120.570 0.002 0.000 3.466 117 I HA 0.854 5.024 4.170 -0.001 0.000 0.311 117 I C -0.796 175.327 176.117 0.008 0.000 1.155 117 I CA -1.299 60.002 61.300 0.002 0.000 0.959 117 I CB 2.424 40.383 38.000 -0.067 0.000 1.332 117 I HN 0.520 nan 8.210 nan 0.000 0.483 118 R N 0.555 121.063 120.500 0.013 0.000 2.741 118 R HA 0.263 4.603 4.340 -0.001 0.000 0.276 118 R C -1.445 174.854 176.300 -0.002 0.000 1.028 118 R CA -0.784 55.305 56.100 -0.019 0.000 0.865 118 R CB 1.207 31.489 30.300 -0.030 0.000 1.268 118 R HN 0.862 nan 8.270 nan 0.000 0.475 119 E N -0.025 120.140 120.200 -0.058 0.000 2.230 119 E HA -0.157 4.193 4.350 -0.001 0.000 0.206 119 E C -2.408 174.242 176.600 0.083 0.000 1.309 119 E CA 0.654 57.088 56.400 0.056 0.000 0.697 119 E CB -1.179 28.609 29.700 0.146 0.000 1.146 119 E HN 0.285 nan 8.360 nan 0.000 0.363 120 P HA 0.484 nan 4.420 nan 0.000 0.279 120 P C -0.392 176.505 177.300 -0.672 0.000 1.252 120 P CA -0.468 62.475 63.100 -0.261 0.000 0.811 120 P CB 0.680 32.217 31.700 -0.272 0.000 1.035 121 F N -1.056 118.471 119.950 -0.705 0.000 2.690 121 F HA 0.574 5.101 4.527 -0.001 0.000 0.311 121 F C -1.743 173.802 175.800 -0.425 0.000 1.111 121 F CA -1.262 56.131 58.000 -1.012 0.000 1.003 121 F CB 0.378 39.173 39.000 -0.342 0.000 1.283 121 F HN 0.048 nan 8.300 nan 0.000 0.442 122 I N 2.567 122.988 120.570 -0.248 0.000 2.498 122 I HA 0.684 4.854 4.170 -0.001 0.000 0.301 122 I C -0.212 175.993 176.117 0.146 0.000 0.984 122 I CA -0.759 60.406 61.300 -0.225 0.000 1.204 122 I CB 1.930 39.433 38.000 -0.828 0.000 1.362 122 I HN 0.778 nan 8.210 nan 0.000 0.471 123 S N 4.460 120.343 115.700 0.306 0.000 2.543 123 S HA 0.573 5.042 4.470 -0.001 0.000 0.273 123 S C -1.076 173.913 174.600 0.649 0.000 1.152 123 S CA -0.572 57.963 58.200 0.559 0.000 0.910 123 S CB 0.985 64.596 63.200 0.685 0.000 1.105 123 S HN 0.691 nan 8.310 nan 0.000 0.465 124 c N 2.893 121.826 118.600 0.555 0.000 2.486 124 c HA 0.969 5.539 4.570 -0.001 0.000 0.348 124 c C 1.035 175.251 174.090 0.210 0.000 1.203 124 c CA -0.495 56.097 56.329 0.438 0.000 1.911 124 c CB 1.159 43.865 42.510 0.325 0.000 2.340 124 c HN 1.025 nan 8.230 nan 0.000 0.511 125 S N 0.001 115.709 115.700 0.013 0.000 2.694 125 S HA 0.387 4.856 4.470 -0.001 0.000 0.286 125 S C 0.555 175.098 174.600 -0.095 0.000 1.080 125 S CA -0.202 57.755 58.200 -0.404 0.000 0.953 125 S CB 0.108 62.648 63.200 -1.100 0.000 1.313 125 S HN 0.929 nan 8.310 nan 0.000 0.555 126 H N 0.039 118.957 119.070 -0.253 0.000 2.526 126 H HA 0.445 5.001 4.556 -0.001 0.000 0.274 126 H C 0.792 176.087 175.328 -0.056 0.000 0.999 126 H CA 0.046 56.045 56.048 -0.081 0.000 1.157 126 H CB -0.454 29.289 29.762 -0.033 0.000 1.407 126 H HN 0.479 nan 8.280 nan 0.000 0.568 127 L N -0.243 120.732 121.223 -0.414 0.000 2.885 127 L HA 0.260 4.600 4.340 -0.001 0.000 0.251 127 L C 0.236 177.039 176.870 -0.112 0.000 1.071 127 L CA 0.102 54.749 54.840 -0.322 0.000 0.956 127 L CB 0.694 42.498 42.059 -0.425 0.000 1.483 127 L HN 0.224 nan 8.230 nan 0.000 0.525 128 E N -0.977 119.195 120.200 -0.046 0.000 2.445 128 E HA 0.425 4.774 4.350 -0.001 0.000 0.279 128 E C -1.689 175.001 176.600 0.150 0.000 1.018 128 E CA -0.868 55.563 56.400 0.051 0.000 0.816 128 E CB 2.115 31.840 29.700 0.042 0.000 1.356 128 E HN -0.127 nan 8.360 nan 0.000 0.462 129 c N 1.066 119.761 118.600 0.158 0.000 2.322 129 c HA 0.636 5.205 4.570 -0.001 0.000 0.324 129 c C -0.234 173.902 174.090 0.078 0.000 1.284 129 c CA -0.502 55.948 56.329 0.203 0.000 1.606 129 c CB 0.140 42.811 42.510 0.269 0.000 2.251 129 c HN 0.557 nan 8.230 nan 0.000 0.502 130 R N 1.214 121.739 120.500 0.041 0.000 2.832 130 R HA 0.693 5.033 4.340 -0.001 0.000 0.271 130 R C -0.768 175.338 176.300 -0.323 0.000 0.996 130 R CA -0.490 55.461 56.100 -0.247 0.000 0.977 130 R CB 1.689 31.637 30.300 -0.586 0.000 1.168 130 R HN 0.590 nan 8.270 nan 0.000 0.482 131 T N 2.311 116.603 114.554 -0.436 0.000 2.758 131 T HA 0.434 4.783 4.350 -0.001 0.000 0.285 131 T C -0.780 173.567 174.700 -0.589 0.000 0.981 131 T CA -0.318 61.551 62.100 -0.384 0.000 0.965 131 T CB 0.241 68.973 68.868 -0.227 0.000 0.927 131 T HN 0.177 nan 8.240 nan 0.000 0.448 132 F N 3.552 123.041 119.950 -0.769 0.000 2.403 132 F HA 0.803 5.329 4.527 -0.001 0.000 0.326 132 F C -0.006 175.324 175.800 -0.783 0.000 1.081 132 F CA -1.046 56.317 58.000 -1.061 0.000 1.041 132 F CB 1.125 39.148 39.000 -1.628 0.000 1.234 132 F HN 0.583 nan 8.300 nan 0.000 0.503 133 F N -1.017 118.701 119.950 -0.386 0.000 2.744 133 F HA 0.584 5.111 4.527 -0.001 0.000 0.311 133 F C -2.318 173.384 175.800 -0.165 0.000 1.144 133 F CA -1.650 56.198 58.000 -0.253 0.000 0.938 133 F CB 0.814 39.664 39.000 -0.250 0.000 1.292 133 F HN 0.181 nan 8.300 nan 0.000 0.444 134 L N 2.861 124.153 121.223 0.115 0.000 2.265 134 L HA 0.568 4.908 4.340 -0.001 0.000 0.289 134 L C 0.506 177.424 176.870 0.081 0.000 1.033 134 L CA -0.621 54.247 54.840 0.048 0.000 0.814 134 L CB 1.690 43.798 42.059 0.082 0.000 1.203 134 L HN 0.987 nan 8.230 nan 0.000 0.423 135 T N -0.558 113.991 114.554 -0.008 0.000 2.771 135 T HA 0.208 4.558 4.350 -0.001 0.000 0.290 135 T C 0.468 175.157 174.700 -0.019 0.000 1.005 135 T CA -0.490 61.561 62.100 -0.082 0.000 0.944 135 T CB 1.328 69.939 68.868 -0.428 0.000 1.147 135 T HN 0.506 nan 8.240 nan 0.000 0.534 136 Q N -0.647 119.149 119.800 -0.008 0.000 2.118 136 Q HA 0.253 4.593 4.340 -0.001 0.000 0.219 136 Q C 1.074 177.112 176.000 0.063 0.000 0.794 136 Q CA 0.393 56.233 55.803 0.062 0.000 1.035 136 Q CB 0.849 29.636 28.738 0.082 0.000 1.177 136 Q HN 1.236 nan 8.270 nan 0.000 0.478 137 G N 1.466 110.264 108.800 -0.003 0.000 2.323 137 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.292 137 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.292 137 G C 0.099 175.026 174.900 0.045 0.000 1.040 137 G CA 0.615 45.721 45.100 0.010 0.000 0.942 137 G HN 0.588 nan 8.290 nan 0.000 0.506 138 A N -1.149 121.752 122.820 0.135 0.000 2.581 138 A HA 0.885 5.204 4.320 -0.001 0.000 0.290 138 A C -0.709 176.983 177.584 0.180 0.000 1.119 138 A CA -0.755 51.361 52.037 0.132 0.000 0.670 138 A CB 1.112 20.179 19.000 0.112 0.000 1.280 138 A HN 0.858 nan 8.150 nan 0.000 0.425 139 L N 0.613 121.876 121.223 0.067 0.000 2.342 139 L HA 0.506 4.846 4.340 -0.001 0.000 0.271 139 L C -0.486 176.328 176.870 -0.093 0.000 1.008 139 L CA -0.800 54.022 54.840 -0.029 0.000 0.818 139 L CB 1.634 43.633 42.059 -0.100 0.000 1.296 139 L HN 0.670 nan 8.230 nan 0.000 0.427 140 L N 2.673 123.794 121.223 -0.170 0.000 2.506 140 L HA 0.007 4.346 4.340 -0.001 0.000 0.281 140 L C 0.851 177.607 176.870 -0.190 0.000 1.228 140 L CA 0.294 54.950 54.840 -0.307 0.000 0.850 140 L CB -0.128 41.745 42.059 -0.310 0.000 1.110 140 L HN 0.756 nan 8.230 nan 0.000 0.496 141 N N 0.811 119.383 118.700 -0.213 0.000 2.776 141 N HA -0.194 4.546 4.740 -0.001 0.000 0.250 141 N C -0.790 174.693 175.510 -0.045 0.000 1.112 141 N CA 1.087 54.101 53.050 -0.060 0.000 0.733 141 N CB -0.834 37.633 38.487 -0.032 0.000 1.097 141 N HN 0.808 nan 8.380 nan 0.000 0.558 142 D N -0.574 119.796 120.400 -0.051 0.000 2.738 142 D HA 0.311 4.950 4.640 -0.001 0.000 0.237 142 D C 1.247 177.539 176.300 -0.013 0.000 1.123 142 D CA -0.537 53.456 54.000 -0.012 0.000 0.856 142 D CB 1.003 41.821 40.800 0.030 0.000 1.552 142 D HN 0.132 nan 8.370 nan 0.000 0.480 143 K N 1.829 122.192 120.400 -0.061 0.000 2.160 143 K HA -0.231 4.088 4.320 -0.001 0.000 0.206 143 K C 0.971 177.509 176.600 -0.103 0.000 1.047 143 K CA 1.176 57.404 56.287 -0.100 0.000 0.930 143 K CB -0.286 32.107 32.500 -0.177 0.000 0.720 143 K HN 0.499 nan 8.250 nan 0.000 0.450 144 H N 0.743 119.817 119.070 0.006 0.000 2.560 144 H HA -0.033 4.523 4.556 -0.001 0.000 0.283 144 H C 1.861 177.203 175.328 0.023 0.000 1.028 144 H CA 1.280 57.331 56.048 0.005 0.000 1.221 144 H CB 0.147 29.902 29.762 -0.013 0.000 1.363 144 H HN 0.437 nan 8.280 nan 0.000 0.594 145 S N -0.126 115.642 115.700 0.113 0.000 2.603 145 S HA -0.065 4.404 4.470 -0.001 0.000 0.220 145 S C 1.354 176.046 174.600 0.153 0.000 0.967 145 S CA -0.052 58.207 58.200 0.097 0.000 0.920 145 S CB -0.123 63.069 63.200 -0.013 0.000 0.773 145 S HN 0.451 nan 8.310 nan 0.000 0.529 146 N N 0.851 119.623 118.700 0.121 0.000 1.956 146 N HA -0.138 4.601 4.740 -0.001 0.000 0.170 146 N C 1.148 176.727 175.510 0.116 0.000 1.066 146 N CA 1.238 54.357 53.050 0.114 0.000 0.952 146 N CB -0.592 37.934 38.487 0.066 0.000 0.977 146 N HN 0.429 nan 8.380 nan 0.000 0.668 147 G N -0.299 108.550 108.800 0.082 0.000 3.266 147 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.238 147 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.238 147 G C 0.574 175.517 174.900 0.071 0.000 1.076 147 G CA 0.392 45.530 45.100 0.063 0.000 1.804 147 G HN 0.616 nan 8.290 nan 0.000 0.600 148 T N -2.262 112.353 114.554 0.102 0.000 3.584 148 T HA 0.072 4.422 4.350 -0.001 0.000 0.252 148 T C 1.503 176.243 174.700 0.066 0.000 1.103 148 T CA 0.293 62.454 62.100 0.102 0.000 0.977 148 T CB 0.200 69.154 68.868 0.144 0.000 1.044 148 T HN 0.081 nan 8.240 nan 0.000 0.589 149 V N 0.457 120.392 119.914 0.035 0.000 3.621 149 V HA 0.071 4.190 4.120 -0.001 0.000 0.263 149 V C 2.451 178.546 176.094 0.001 0.000 1.272 149 V CA 0.348 62.650 62.300 0.003 0.000 1.080 149 V CB -0.153 31.655 31.823 -0.025 0.000 0.816 149 V HN 0.610 nan 8.190 nan 0.000 0.451 150 K N 0.351 120.755 120.400 0.006 0.000 2.362 150 K HA -0.265 4.054 4.320 -0.001 0.000 0.202 150 K C 0.850 177.430 176.600 -0.033 0.000 1.045 150 K CA 1.759 58.038 56.287 -0.012 0.000 0.936 150 K CB -0.196 32.299 32.500 -0.008 0.000 0.747 150 K HN 0.389 nan 8.250 nan 0.000 0.467 151 D N -0.056 120.335 120.400 -0.014 0.000 3.773 151 D HA -0.179 4.461 4.640 -0.001 0.000 0.209 151 D C -0.258 176.010 176.300 -0.053 0.000 1.054 151 D CA 1.786 55.771 54.000 -0.025 0.000 2.299 151 D CB -0.642 40.124 40.800 -0.057 0.000 1.196 151 D HN 0.385 nan 8.370 nan 0.000 0.473 152 R N 0.631 121.018 120.500 -0.189 0.000 2.562 152 R HA 0.660 5.000 4.340 -0.001 0.000 0.298 152 R C -0.331 175.847 176.300 -0.202 0.000 0.961 152 R CA -0.117 55.759 56.100 -0.373 0.000 0.881 152 R CB 2.385 32.085 30.300 -0.999 0.000 1.159 152 R HN 0.330 nan 8.270 nan 0.000 0.450 153 S N 1.267 116.948 115.700 -0.033 0.000 2.578 153 S HA 0.316 4.786 4.470 -0.001 0.000 0.272 153 S C -2.600 172.035 174.600 0.058 0.000 1.145 153 S CA -1.129 57.067 58.200 -0.006 0.000 0.835 153 S CB 1.860 65.066 63.200 0.009 0.000 1.104 153 S HN 0.283 nan 8.310 nan 0.000 0.458 154 P HA 0.076 nan 4.420 nan 0.000 0.223 154 P C 0.551 177.748 177.300 -0.170 0.000 1.151 154 P CA 1.186 64.185 63.100 -0.169 0.000 0.787 154 P CB -0.265 31.253 31.700 -0.303 0.000 0.788 155 H N -2.471 116.652 119.070 0.087 0.000 2.548 155 H HA 0.183 4.738 4.556 -0.001 0.000 0.265 155 H C 0.879 176.243 175.328 0.059 0.000 0.969 155 H CA -0.401 55.682 56.048 0.059 0.000 1.155 155 H CB -0.034 29.752 29.762 0.040 0.000 1.394 155 H HN -0.121 nan 8.280 nan 0.000 0.570 156 R N 2.357 122.951 120.500 0.156 0.000 2.484 156 R HA 0.064 4.403 4.340 -0.001 0.000 0.293 156 R C -0.265 176.078 176.300 0.071 0.000 1.023 156 R CA 0.319 56.494 56.100 0.125 0.000 1.037 156 R CB 0.191 30.608 30.300 0.195 0.000 0.951 156 R HN 0.307 nan 8.270 nan 0.000 0.418 157 T N 1.366 115.923 114.554 0.005 0.000 2.909 157 T HA 0.468 4.817 4.350 -0.001 0.000 0.299 157 T C -0.990 173.591 174.700 -0.199 0.000 1.073 157 T CA -1.044 61.024 62.100 -0.054 0.000 0.999 157 T CB 1.316 70.224 68.868 0.067 0.000 1.098 157 T HN 0.338 nan 8.240 nan 0.000 0.477 158 L N 3.151 124.180 121.223 -0.323 0.000 2.276 158 L HA 0.765 5.105 4.340 -0.001 0.000 0.286 158 L C -0.721 175.769 176.870 -0.634 0.000 1.061 158 L CA -0.171 54.432 54.840 -0.395 0.000 0.807 158 L CB 0.282 42.163 42.059 -0.297 0.000 1.177 158 L HN 0.857 nan 8.230 nan 0.000 0.429 159 M N 3.311 122.419 119.600 -0.820 0.000 2.716 159 M HA 0.648 5.128 4.480 -0.001 0.000 0.278 159 M C -0.732 174.723 176.300 -1.408 0.000 1.281 159 M CA -0.659 54.082 55.300 -0.931 0.000 0.814 159 M CB 2.605 34.809 32.600 -0.661 0.000 1.719 159 M HN 0.658 nan 8.290 nan 0.000 0.457 160 S N 0.047 115.140 115.700 -1.012 0.000 2.579 160 S HA 0.927 5.397 4.470 -0.001 0.000 0.272 160 S C -0.993 173.341 174.600 -0.444 0.000 1.141 160 S CA -0.800 56.793 58.200 -1.011 0.000 0.843 160 S CB 1.829 64.137 63.200 -1.488 0.000 1.122 160 S HN 1.175 nan 8.310 nan 0.000 0.468 161 C N -1.281 117.846 119.300 -0.288 0.000 3.321 161 C HA 0.852 5.311 4.460 -0.001 0.000 0.329 161 C C -3.086 171.780 174.990 -0.208 0.000 1.394 161 C CA -1.850 57.078 59.018 -0.149 0.000 1.291 161 C CB 0.928 28.676 27.740 0.014 0.000 1.606 161 C HN 0.764 nan 8.230 nan 0.000 0.463 162 P HA 0.238 nan 4.420 nan 0.000 0.268 162 P C 0.337 177.548 177.300 -0.148 0.000 1.205 162 P CA 0.644 63.656 63.100 -0.147 0.000 0.771 162 P CB 0.453 32.090 31.700 -0.105 0.000 0.858 163 V N -0.331 119.495 119.914 -0.147 0.000 2.752 163 V HA 0.267 4.386 4.120 -0.001 0.000 0.306 163 V C 1.674 177.660 176.094 -0.180 0.000 1.099 163 V CA 0.702 62.906 62.300 -0.161 0.000 1.240 163 V CB -1.093 30.652 31.823 -0.130 0.000 0.887 163 V HN 1.032 nan 8.190 nan 0.000 0.499 164 G N 2.374 111.064 108.800 -0.183 0.000 2.284 164 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.247 164 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.247 164 G C 0.088 174.903 174.900 -0.142 0.000 1.012 164 G CA 0.421 45.415 45.100 -0.177 0.000 0.618 164 G HN 0.920 nan 8.290 nan 0.000 0.521 165 E N 0.934 121.053 120.200 -0.136 0.000 2.313 165 E HA 0.590 4.940 4.350 -0.001 0.000 0.272 165 E C 0.633 177.149 176.600 -0.141 0.000 1.038 165 E CA -0.087 56.242 56.400 -0.119 0.000 0.863 165 E CB 1.250 30.889 29.700 -0.102 0.000 1.060 165 E HN 0.647 nan 8.360 nan 0.000 0.402 166 A N 4.524 127.264 122.820 -0.134 0.000 2.488 166 A HA 0.207 4.526 4.320 -0.001 0.000 0.249 166 A C -2.083 175.375 177.584 -0.210 0.000 1.083 166 A CA -1.201 50.734 52.037 -0.169 0.000 0.768 166 A CB -0.208 18.710 19.000 -0.137 0.000 1.017 166 A HN 0.345 nan 8.150 nan 0.000 0.496 167 P HA 0.112 nan 4.420 nan 0.000 0.271 167 P C 0.009 177.166 177.300 -0.239 0.000 1.233 167 P CA 0.436 63.325 63.100 -0.353 0.000 0.764 167 P CB 1.479 32.556 31.700 -1.038 0.000 0.825 168 S N 3.356 118.932 115.700 -0.208 0.000 4.174 168 S HA 0.190 4.659 4.470 -0.001 0.000 0.210 168 S C 0.659 174.914 174.600 -0.575 0.000 1.163 168 S CA -0.181 57.683 58.200 -0.560 0.000 1.560 168 S CB -0.752 62.167 63.200 -0.467 0.000 1.473 168 S HN 0.409 nan 8.310 nan 0.000 0.742 169 Y N 2.298 122.524 120.300 -0.123 0.000 4.839 169 Y HA -0.302 4.247 4.550 -0.001 0.000 0.211 169 Y C 1.333 177.204 175.900 -0.048 0.000 0.979 169 Y CA 1.271 59.327 58.100 -0.074 0.000 1.868 169 Y CB -1.433 36.973 38.460 -0.091 0.000 1.589 169 Y HN 0.724 nan 8.280 nan 0.000 0.537 170 N N -1.612 117.121 118.700 0.055 0.000 2.118 170 N HA 0.077 4.817 4.740 -0.001 0.000 0.226 170 N C -0.609 174.917 175.510 0.026 0.000 1.305 170 N CA 0.266 53.334 53.050 0.030 0.000 0.890 170 N CB 0.234 38.720 38.487 -0.002 0.000 1.118 170 N HN 0.033 nan 8.380 nan 0.000 0.511 171 S N 0.953 116.698 115.700 0.075 0.000 2.508 171 S HA 0.351 4.821 4.470 -0.001 0.000 0.284 171 S C -0.250 174.383 174.600 0.055 0.000 1.192 171 S CA -0.792 57.474 58.200 0.109 0.000 1.070 171 S CB 2.193 65.596 63.200 0.339 0.000 1.004 171 S HN 0.281 nan 8.310 nan 0.000 0.493 172 R N 2.091 122.554 120.500 -0.062 0.000 2.368 172 R HA 0.319 4.659 4.340 -0.001 0.000 0.302 172 R C -1.053 175.190 176.300 -0.095 0.000 1.002 172 R CA -0.528 55.532 56.100 -0.066 0.000 0.929 172 R CB 0.456 30.671 30.300 -0.143 0.000 1.073 172 R HN 0.577 nan 8.270 nan 0.000 0.464 173 F N 4.010 123.898 119.950 -0.102 0.000 2.495 173 F HA 0.096 4.622 4.527 -0.001 0.000 0.365 173 F C 0.654 176.381 175.800 -0.121 0.000 1.090 173 F CA 0.329 58.261 58.000 -0.113 0.000 1.235 173 F CB 0.964 39.925 39.000 -0.064 0.000 1.119 173 F HN 0.671 nan 8.300 nan 0.000 0.562 174 E N 2.351 121.912 120.200 -1.065 0.000 2.307 174 E HA 0.175 4.525 4.350 -0.001 0.000 0.192 174 E C -0.190 175.955 176.600 -0.758 0.000 0.967 174 E CA 0.288 56.286 56.400 -0.670 0.000 1.042 174 E CB 0.245 29.679 29.700 -0.443 0.000 1.126 174 E HN 0.470 nan 8.360 nan 0.000 0.484 175 S N -0.457 114.675 115.700 -0.948 0.000 2.588 175 S HA 0.402 4.872 4.470 -0.001 0.000 0.269 175 S C -1.361 173.072 174.600 -0.279 0.000 1.157 175 S CA -0.637 57.308 58.200 -0.425 0.000 0.824 175 S CB 1.535 64.608 63.200 -0.212 0.000 1.126 175 S HN -0.065 nan 8.310 nan 0.000 0.464 176 V N 2.318 122.256 119.914 0.040 0.000 2.461 176 V HA 0.825 4.944 4.120 -0.001 0.000 0.275 176 V C 0.415 176.452 176.094 -0.094 0.000 1.047 176 V CA 0.563 62.900 62.300 0.062 0.000 0.955 176 V CB 0.260 32.144 31.823 0.102 0.000 0.988 176 V HN 1.137 nan 8.190 nan 0.000 0.471 177 A N 4.941 127.692 122.820 -0.115 0.000 2.586 177 A HA 0.510 4.829 4.320 -0.001 0.000 0.298 177 A C -0.550 176.970 177.584 -0.106 0.000 1.013 177 A CA -0.642 51.247 52.037 -0.247 0.000 0.707 177 A CB 0.779 19.625 19.000 -0.257 0.000 1.276 177 A HN 0.996 nan 8.150 nan 0.000 0.414 178 W N 0.995 122.293 121.300 -0.002 0.000 2.991 178 W HA 0.580 5.240 4.660 -0.001 0.000 0.391 178 W C 0.046 176.581 176.519 0.027 0.000 1.054 178 W CA 0.275 57.625 57.345 0.009 0.000 1.856 178 W CB 0.248 29.712 29.460 0.005 0.000 1.132 178 W HN 1.076 nan 8.180 nan 0.000 0.601 179 S N 0.616 116.369 115.700 0.087 0.000 2.570 179 S HA 0.633 5.103 4.470 -0.001 0.000 0.286 179 S C -1.038 173.543 174.600 -0.031 0.000 1.143 179 S CA 0.115 58.382 58.200 0.112 0.000 0.921 179 S CB 0.912 64.231 63.200 0.199 0.000 1.108 179 S HN 0.385 nan 8.310 nan 0.000 0.456 180 A N 2.341 125.181 122.820 0.034 0.000 2.535 180 A HA 1.000 5.320 4.320 -0.001 0.000 0.296 180 A C -0.483 177.070 177.584 -0.051 0.000 1.248 180 A CA -0.313 51.720 52.037 -0.006 0.000 0.686 180 A CB 1.182 20.203 19.000 0.036 0.000 1.315 180 A HN 1.736 nan 8.150 nan 0.000 0.460 181 S N -1.967 113.685 115.700 -0.081 0.000 2.580 181 S HA 0.732 5.201 4.470 -0.001 0.000 0.281 181 S C -1.271 173.259 174.600 -0.115 0.000 1.129 181 S CA 0.421 58.489 58.200 -0.218 0.000 0.862 181 S CB 1.103 64.215 63.200 -0.147 0.000 1.090 181 S HN 2.554 nan 8.310 nan 0.000 0.451 182 A N 1.366 124.105 122.820 -0.136 0.000 2.612 182 A HA 0.950 5.269 4.320 -0.001 0.000 0.293 182 A C -0.636 177.006 177.584 0.095 0.000 1.075 182 A CA -0.193 51.781 52.037 -0.105 0.000 0.680 182 A CB 0.673 19.293 19.000 -0.633 0.000 1.279 182 A HN 2.321 nan 8.150 nan 0.000 0.411 183 c N -0.944 117.829 118.600 0.289 0.000 3.253 183 c HA 0.804 5.373 4.570 -0.001 0.000 0.342 183 c C -0.904 173.285 174.090 0.165 0.000 1.306 183 c CA -0.791 55.742 56.329 0.341 0.000 1.207 183 c CB 0.468 43.101 42.510 0.206 0.000 1.479 183 c HN 1.333 nan 8.230 nan 0.000 0.469 184 H N 0.603 119.496 119.070 -0.295 0.000 2.489 184 H HA 0.574 5.130 4.556 -0.001 0.000 0.343 184 H C 0.400 175.585 175.328 -0.238 0.000 1.086 184 H CA 0.238 55.909 56.048 -0.628 0.000 1.198 184 H CB 1.489 30.510 29.762 -1.234 0.000 1.490 184 H HN 0.839 nan 8.280 nan 0.000 0.504 185 D N 2.479 122.703 120.400 -0.292 0.000 2.349 185 D HA 0.155 4.795 4.640 -0.001 0.000 0.214 185 D C 1.376 177.632 176.300 -0.074 0.000 1.063 185 D CA 0.627 54.573 54.000 -0.090 0.000 0.847 185 D CB 0.428 41.211 40.800 -0.029 0.000 0.933 185 D HN 0.846 nan 8.370 nan 0.000 0.513 186 G N -0.713 108.055 108.800 -0.054 0.000 2.352 186 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.204 186 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.204 186 G C 1.170 175.953 174.900 -0.194 0.000 1.004 186 G CA 0.383 45.448 45.100 -0.060 0.000 0.648 186 G HN 0.376 nan 8.290 nan 0.000 0.491 187 T N 0.165 114.560 114.554 -0.265 0.000 3.082 187 T HA 0.490 4.839 4.350 -0.001 0.000 0.235 187 T C 1.153 175.655 174.700 -0.328 0.000 0.991 187 T CA 1.693 63.677 62.100 -0.194 0.000 1.220 187 T CB 0.156 68.986 68.868 -0.065 0.000 0.909 187 T HN 1.418 nan 8.240 nan 0.000 0.424 188 S N -0.978 114.296 115.700 -0.710 0.000 2.697 188 S HA 0.624 5.094 4.470 -0.001 0.000 0.289 188 S C -1.932 172.069 174.600 -0.998 0.000 1.149 188 S CA -1.201 56.532 58.200 -0.779 0.000 0.850 188 S CB 1.028 63.730 63.200 -0.830 0.000 1.151 188 S HN 0.410 nan 8.310 nan 0.000 0.491 189 W N 0.715 121.767 121.300 -0.414 0.000 2.261 189 W HA 0.597 5.256 4.660 -0.001 0.000 0.323 189 W C -0.315 176.093 176.519 -0.185 0.000 1.243 189 W CA -0.401 56.855 57.345 -0.149 0.000 1.210 189 W CB 1.263 30.777 29.460 0.090 0.000 1.149 189 W HN 0.603 nan 8.180 nan 0.000 0.562 190 L N 4.313 125.681 121.223 0.243 0.000 2.333 190 L HA 0.712 5.051 4.340 -0.001 0.000 0.280 190 L C -0.168 176.799 176.870 0.161 0.000 1.004 190 L CA -0.291 54.666 54.840 0.196 0.000 0.820 190 L CB 1.282 43.453 42.059 0.186 0.000 1.247 190 L HN 0.387 nan 8.230 nan 0.000 0.416 191 T N 2.915 117.520 114.554 0.086 0.000 2.876 191 T HA 0.748 5.097 4.350 -0.001 0.000 0.289 191 T C -0.404 174.278 174.700 -0.031 0.000 1.014 191 T CA -0.493 61.608 62.100 0.001 0.000 0.986 191 T CB 1.207 70.060 68.868 -0.025 0.000 1.021 191 T HN 0.509 nan 8.240 nan 0.000 0.458 192 I N 2.125 122.657 120.570 -0.063 0.000 2.448 192 I HA 0.579 4.748 4.170 -0.001 0.000 0.281 192 I C 0.414 176.463 176.117 -0.114 0.000 1.027 192 I CA -0.831 60.415 61.300 -0.090 0.000 1.111 192 I CB 1.717 39.658 38.000 -0.099 0.000 1.236 192 I HN 0.971 nan 8.210 nan 0.000 0.452 193 G N 7.191 115.908 108.800 -0.139 0.000 2.478 193 G HA2 0.756 4.715 3.960 -0.001 0.000 0.317 193 G HA3 0.756 4.715 3.960 -0.001 0.000 0.317 193 G C -0.797 173.949 174.900 -0.258 0.000 1.259 193 G CA -0.436 44.553 45.100 -0.185 0.000 0.933 193 G HN 0.457 nan 8.290 nan 0.000 0.478 194 I N 1.746 122.079 120.570 -0.395 0.000 2.354 194 I HA 0.503 4.673 4.170 -0.001 0.000 0.292 194 I C 0.256 175.770 176.117 -1.003 0.000 0.989 194 I CA -0.385 60.554 61.300 -0.602 0.000 1.188 194 I CB 1.899 39.493 38.000 -0.675 0.000 1.342 194 I HN 0.464 nan 8.210 nan 0.000 0.457 195 S N 3.474 118.742 115.700 -0.720 0.000 2.697 195 S HA 0.974 5.444 4.470 -0.001 0.000 0.289 195 S C -0.409 174.098 174.600 -0.156 0.000 1.149 195 S CA 0.193 58.028 58.200 -0.608 0.000 0.850 195 S CB 1.972 65.013 63.200 -0.266 0.000 1.151 195 S HN 1.131 nan 8.310 nan 0.000 0.491 196 G N 1.634 110.545 108.800 0.185 0.000 2.384 196 G HA2 0.078 4.038 3.960 -0.001 0.000 0.668 196 G HA3 0.078 4.038 3.960 -0.001 0.000 0.668 196 G C -3.359 171.744 174.900 0.339 0.000 1.280 196 G CA -0.468 44.760 45.100 0.213 0.000 0.992 196 G HN 0.686 nan 8.290 nan 0.000 0.512 197 P HA 0.343 nan 4.420 nan 0.000 0.276 197 P C -0.066 177.309 177.300 0.125 0.000 1.244 197 P CA -0.110 63.059 63.100 0.116 0.000 0.801 197 P CB 0.888 32.622 31.700 0.058 0.000 1.006 198 D N 0.894 121.305 120.400 0.019 0.000 2.182 198 D HA -0.163 4.477 4.640 -0.001 0.000 0.201 198 D C 1.159 177.464 176.300 0.009 0.000 0.986 198 D CA 1.600 55.589 54.000 -0.019 0.000 0.847 198 D CB -0.647 40.095 40.800 -0.098 0.000 0.942 198 D HN 0.544 nan 8.370 nan 0.000 0.467 199 N N -0.670 118.033 118.700 0.006 0.000 2.322 199 N HA 0.196 4.936 4.740 -0.001 0.000 0.216 199 N C 0.625 176.142 175.510 0.011 0.000 1.144 199 N CA 0.176 53.224 53.050 -0.004 0.000 0.830 199 N CB 0.520 39.001 38.487 -0.011 0.000 1.034 199 N HN 0.058 nan 8.380 nan 0.000 0.484 200 G N -1.742 107.080 108.800 0.037 0.000 4.990 200 G HA2 0.381 4.341 3.960 -0.001 0.000 0.221 200 G HA3 0.381 4.341 3.960 -0.001 0.000 0.221 200 G C -0.230 174.707 174.900 0.062 0.000 0.986 200 G CA -0.181 44.943 45.100 0.040 0.000 1.002 200 G HN 0.513 nan 8.290 nan 0.000 0.531 201 A N -0.049 122.830 122.820 0.099 0.000 2.507 201 A HA 0.627 4.946 4.320 -0.001 0.000 0.235 201 A C 0.399 177.992 177.584 0.015 0.000 1.070 201 A CA 0.489 52.589 52.037 0.106 0.000 0.768 201 A CB 1.210 20.348 19.000 0.231 0.000 1.011 201 A HN 1.590 nan 8.150 nan 0.000 0.502 202 V N 1.430 121.317 119.914 -0.046 0.000 2.638 202 V HA 0.716 4.836 4.120 -0.001 0.000 0.306 202 V C 0.110 176.126 176.094 -0.131 0.000 1.052 202 V CA -0.073 62.192 62.300 -0.058 0.000 0.885 202 V CB 1.381 33.185 31.823 -0.032 0.000 0.999 202 V HN 1.625 nan 8.190 nan 0.000 0.424 203 A N 6.285 129.031 122.820 -0.124 0.000 2.276 203 A HA 0.733 5.053 4.320 -0.001 0.000 0.300 203 A C -0.371 177.135 177.584 -0.129 0.000 1.235 203 A CA -0.383 51.555 52.037 -0.164 0.000 0.867 203 A CB 0.905 19.799 19.000 -0.177 0.000 1.137 203 A HN 1.156 nan 8.150 nan 0.000 0.527 204 V N 4.461 124.301 119.914 -0.124 0.000 2.439 204 V HA 0.329 4.449 4.120 -0.001 0.000 0.282 204 V C 0.033 176.081 176.094 -0.076 0.000 1.039 204 V CA -0.218 62.033 62.300 -0.082 0.000 0.913 204 V CB 1.163 32.948 31.823 -0.063 0.000 0.983 204 V HN 0.735 nan 8.190 nan 0.000 0.460 205 L N 5.438 126.629 121.223 -0.054 0.000 2.329 205 L HA 0.645 4.985 4.340 -0.001 0.000 0.279 205 L C -0.191 176.685 176.870 0.010 0.000 1.014 205 L CA -0.679 54.141 54.840 -0.034 0.000 0.814 205 L CB 1.681 43.712 42.059 -0.045 0.000 1.257 205 L HN 0.539 nan 8.230 nan 0.000 0.424 206 K N 2.640 123.065 120.400 0.041 0.000 2.371 206 K HA 0.423 4.742 4.320 -0.001 0.000 0.251 206 K C -1.681 175.015 176.600 0.160 0.000 0.934 206 K CA -0.732 55.604 56.287 0.081 0.000 0.798 206 K CB 2.906 35.438 32.500 0.053 0.000 1.204 206 K HN 0.398 nan 8.250 nan 0.000 0.427 207 Y N 3.065 123.378 120.300 0.021 0.000 2.376 207 Y HA 0.115 4.664 4.550 -0.001 0.000 0.326 207 Y C 0.021 175.950 175.900 0.048 0.000 0.970 207 Y CA -0.351 57.763 58.100 0.024 0.000 1.248 207 Y CB 0.739 39.194 38.460 -0.008 0.000 1.117 207 Y HN 0.816 nan 8.280 nan 0.000 0.476 208 N N 4.234 122.826 118.700 -0.179 0.000 2.758 208 N HA -0.191 4.549 4.740 -0.001 0.000 0.248 208 N C 0.665 176.190 175.510 0.025 0.000 1.076 208 N CA 1.583 54.582 53.050 -0.084 0.000 0.696 208 N CB -1.207 37.193 38.487 -0.144 0.000 0.979 208 N HN 1.364 nan 8.380 nan 0.000 0.550 209 G N -0.940 107.890 108.800 0.051 0.000 2.205 209 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.261 209 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.261 209 G C 0.300 175.241 174.900 0.068 0.000 0.980 209 G CA 0.591 45.729 45.100 0.062 0.000 0.632 209 G HN 1.154 nan 8.290 nan 0.000 0.533 210 I N -0.855 119.759 120.570 0.073 0.000 2.362 210 I HA 0.651 4.820 4.170 -0.001 0.000 0.289 210 I C 0.647 176.809 176.117 0.074 0.000 0.994 210 I CA -1.543 59.799 61.300 0.071 0.000 1.158 210 I CB 1.213 39.254 38.000 0.069 0.000 1.315 210 I HN -0.004 nan 8.210 nan 0.000 0.451 211 I N 5.971 126.573 120.570 0.053 0.000 2.906 211 I HA -0.115 4.054 4.170 -0.001 0.000 0.301 211 I C 1.350 177.489 176.117 0.037 0.000 1.221 211 I CA 0.777 62.100 61.300 0.039 0.000 1.435 211 I CB 0.607 38.621 38.000 0.023 0.000 1.345 211 I HN 0.837 nan 8.210 nan 0.000 0.558 212 T N -0.344 114.230 114.554 0.032 0.000 2.975 212 T HA 0.263 4.612 4.350 -0.001 0.000 0.257 212 T C 0.062 174.754 174.700 -0.013 0.000 1.003 212 T CA -0.283 61.826 62.100 0.014 0.000 0.932 212 T CB 0.449 69.328 68.868 0.019 0.000 1.087 212 T HN 0.610 nan 8.240 nan 0.000 0.512 213 D N -0.825 119.565 120.400 -0.017 0.000 2.725 213 D HA 0.546 5.185 4.640 -0.001 0.000 0.292 213 D C -1.709 174.569 176.300 -0.036 0.000 1.288 213 D CA -0.143 53.839 54.000 -0.029 0.000 0.784 213 D CB 1.892 42.667 40.800 -0.043 0.000 1.308 213 D HN -0.027 nan 8.370 nan 0.000 0.429 214 T N 0.541 115.072 114.554 -0.038 0.000 2.923 214 T HA 0.707 5.056 4.350 -0.001 0.000 0.311 214 T C -1.071 173.604 174.700 -0.041 0.000 1.183 214 T CA -0.409 61.666 62.100 -0.042 0.000 1.020 214 T CB 0.870 69.724 68.868 -0.023 0.000 1.165 214 T HN 0.261 nan 8.240 nan 0.000 0.482 215 I N 3.339 123.879 120.570 -0.051 0.000 2.548 215 I HA 0.378 4.547 4.170 -0.001 0.000 0.287 215 I C -0.250 175.888 176.117 0.034 0.000 1.103 215 I CA -1.037 60.253 61.300 -0.016 0.000 1.049 215 I CB 2.080 40.010 38.000 -0.117 0.000 1.232 215 I HN 0.497 nan 8.210 nan 0.000 0.429 216 K N 3.476 123.931 120.400 0.092 0.000 2.098 216 K HA 0.535 4.855 4.320 -0.001 0.000 0.258 216 K C 0.036 176.752 176.600 0.192 0.000 0.973 216 K CA -0.602 55.745 56.287 0.100 0.000 0.898 216 K CB 1.852 34.401 32.500 0.081 0.000 1.057 216 K HN 0.419 nan 8.250 nan 0.000 0.447 217 S N 1.071 116.839 115.700 0.114 0.000 2.552 217 S HA -0.040 4.430 4.470 -0.001 0.000 0.289 217 S C 0.169 174.857 174.600 0.146 0.000 1.304 217 S CA -0.345 57.883 58.200 0.047 0.000 1.063 217 S CB -0.040 63.135 63.200 -0.043 0.000 0.848 217 S HN 0.828 nan 8.310 nan 0.000 0.499 218 W N 4.824 126.141 121.300 0.028 0.000 3.103 218 W HA 0.531 5.190 4.660 -0.001 0.000 0.325 218 W C 1.162 177.681 176.519 -0.001 0.000 1.170 218 W CA -0.583 56.771 57.345 0.015 0.000 1.712 218 W CB 0.258 29.730 29.460 0.019 0.000 1.068 218 W HN 0.453 nan 8.180 nan 0.000 0.592 219 R N 0.972 121.244 120.500 -0.380 0.000 2.509 219 R HA 0.085 4.424 4.340 -0.001 0.000 0.297 219 R C 0.046 176.237 176.300 -0.182 0.000 0.951 219 R CA 0.068 56.002 56.100 -0.277 0.000 1.103 219 R CB -0.735 29.310 30.300 -0.425 0.000 1.283 219 R HN 0.095 nan 8.270 nan 0.000 0.534 220 N N 1.552 120.158 118.700 -0.157 0.000 2.725 220 N HA -0.213 4.527 4.740 -0.001 0.000 0.249 220 N C -0.651 174.802 175.510 -0.094 0.000 1.103 220 N CA 0.900 53.897 53.050 -0.088 0.000 0.707 220 N CB -1.379 37.080 38.487 -0.046 0.000 1.043 220 N HN 0.205 nan 8.380 nan 0.000 0.553 221 N N 0.772 119.390 118.700 -0.137 0.000 2.725 221 N HA 0.300 5.039 4.740 -0.001 0.000 0.248 221 N C -0.443 175.010 175.510 -0.095 0.000 1.402 221 N CA -0.391 52.594 53.050 -0.109 0.000 0.766 221 N CB -0.149 38.265 38.487 -0.121 0.000 1.223 221 N HN 0.271 nan 8.380 nan 0.000 0.515 222 I N 0.795 121.343 120.570 -0.037 0.000 7.356 222 I HA -0.320 3.849 4.170 -0.001 0.000 0.126 222 I C -0.192 175.979 176.117 0.090 0.000 1.829 222 I CA -0.010 61.317 61.300 0.045 0.000 2.068 222 I CB -0.787 37.193 38.000 -0.032 0.000 3.620 222 I HN 0.336 nan 8.210 nan 0.000 0.179 223 L N 6.602 127.871 121.223 0.077 0.000 2.559 223 L HA 0.234 4.574 4.340 -0.001 0.000 0.274 223 L C 0.874 177.822 176.870 0.130 0.000 1.205 223 L CA 0.880 55.708 54.840 -0.019 0.000 0.907 223 L CB 0.197 42.227 42.059 -0.049 0.000 1.153 223 L HN 0.527 nan 8.230 nan 0.000 0.490 224 R N 2.488 123.048 120.500 0.100 0.000 2.799 224 R HA 0.800 5.139 4.340 -0.001 0.000 0.270 224 R C -0.835 175.539 176.300 0.124 0.000 1.010 224 R CA -0.862 55.336 56.100 0.164 0.000 0.916 224 R CB 1.540 31.978 30.300 0.230 0.000 1.228 224 R HN 0.532 nan 8.270 nan 0.000 0.469 225 T N -1.402 113.222 114.554 0.116 0.000 2.626 225 T HA 0.157 4.506 4.350 -0.001 0.000 0.279 225 T C 0.659 175.422 174.700 0.106 0.000 0.983 225 T CA -0.459 61.700 62.100 0.099 0.000 1.059 225 T CB 1.577 70.466 68.868 0.034 0.000 1.396 225 T HN 0.679 nan 8.240 nan 0.000 0.519 226 Q N 0.309 120.153 119.800 0.075 0.000 2.047 226 Q HA -0.165 4.175 4.340 -0.001 0.000 0.211 226 Q C -0.199 175.847 176.000 0.077 0.000 1.005 226 Q CA 2.010 57.852 55.803 0.064 0.000 0.866 226 Q CB -0.106 28.638 28.738 0.009 0.000 0.938 226 Q HN 0.652 nan 8.270 nan 0.000 0.414 227 E N -0.458 119.743 120.200 0.002 0.000 2.759 227 E HA -0.139 4.211 4.350 -0.001 0.000 0.280 227 E C -0.664 175.910 176.600 -0.044 0.000 1.009 227 E CA 1.038 57.489 56.400 0.085 0.000 0.849 227 E CB -2.094 27.817 29.700 0.352 0.000 1.415 227 E HN 0.467 nan 8.360 nan 0.000 0.412 228 S N -1.639 113.736 115.700 -0.542 0.000 2.615 228 S HA 0.416 4.886 4.470 -0.001 0.000 0.268 228 S C -0.227 173.922 174.600 -0.752 0.000 1.146 228 S CA -0.505 57.373 58.200 -0.537 0.000 0.818 228 S CB 1.941 65.294 63.200 0.255 0.000 1.111 228 S HN 0.252 nan 8.310 nan 0.000 0.465 229 E N 0.111 120.135 120.200 -0.293 0.000 2.442 229 E HA 0.380 4.730 4.350 -0.001 0.000 0.260 229 E C 0.279 176.914 176.600 0.057 0.000 1.148 229 E CA -0.558 55.828 56.400 -0.024 0.000 0.976 229 E CB 0.028 29.919 29.700 0.317 0.000 0.967 229 E HN 0.846 nan 8.360 nan 0.000 0.454 230 c N 0.284 118.946 118.600 0.104 0.000 2.325 230 c HA 0.878 5.448 4.570 -0.001 0.000 0.370 230 c C 0.267 174.487 174.090 0.216 0.000 1.217 230 c CA -0.631 55.791 56.329 0.154 0.000 2.254 230 c CB 0.454 43.042 42.510 0.130 0.000 2.282 230 c HN 0.804 nan 8.230 nan 0.000 0.564 231 A N -0.039 122.934 122.820 0.255 0.000 2.318 231 A HA 0.707 5.026 4.320 -0.001 0.000 0.324 231 A C -0.487 177.293 177.584 0.326 0.000 1.170 231 A CA -0.274 51.918 52.037 0.259 0.000 0.810 231 A CB 0.193 19.306 19.000 0.189 0.000 1.198 231 A HN 1.048 nan 8.150 nan 0.000 0.484 232 c N 1.429 120.180 118.600 0.252 0.000 2.493 232 c HA 0.843 5.413 4.570 -0.001 0.000 0.326 232 c C -0.157 174.066 174.090 0.222 0.000 1.200 232 c CA -0.471 56.003 56.329 0.242 0.000 1.739 232 c CB 1.101 43.690 42.510 0.133 0.000 2.300 232 c HN 0.687 nan 8.230 nan 0.000 0.500 233 V N 2.428 122.497 119.914 0.258 0.000 2.851 233 V HA 0.448 4.568 4.120 -0.001 0.000 0.307 233 V C 0.159 176.343 176.094 0.150 0.000 1.129 233 V CA -0.507 61.904 62.300 0.185 0.000 0.932 233 V CB 1.838 33.766 31.823 0.174 0.000 1.024 233 V HN 0.962 nan 8.190 nan 0.000 0.426 234 N N 2.809 121.562 118.700 0.089 0.000 2.686 234 N HA -0.222 4.517 4.740 -0.001 0.000 0.249 234 N C 0.966 176.505 175.510 0.048 0.000 1.082 234 N CA 2.159 55.245 53.050 0.061 0.000 0.725 234 N CB -0.898 37.627 38.487 0.064 0.000 1.009 234 N HN 2.048 nan 8.380 nan 0.000 0.545 235 G N -3.246 105.580 108.800 0.042 0.000 2.141 235 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.231 235 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.231 235 G C -0.175 174.710 174.900 -0.024 0.000 0.984 235 G CA 0.292 45.396 45.100 0.006 0.000 0.660 235 G HN 0.746 nan 8.290 nan 0.000 0.525 236 S N -0.693 115.008 115.700 0.002 0.000 2.500 236 S HA 0.687 5.157 4.470 -0.001 0.000 0.301 236 S C -0.022 174.445 174.600 -0.222 0.000 1.092 236 S CA -0.403 57.710 58.200 -0.145 0.000 1.030 236 S CB 2.231 65.364 63.200 -0.111 0.000 1.031 236 S HN 0.596 nan 8.310 nan 0.000 0.483 237 c N 3.004 121.369 118.600 -0.393 0.000 2.411 237 c HA 0.772 5.342 4.570 -0.001 0.000 0.330 237 c C -0.747 173.037 174.090 -0.509 0.000 1.224 237 c CA -0.842 55.344 56.329 -0.239 0.000 1.770 237 c CB -0.239 42.243 42.510 -0.046 0.000 2.297 237 c HN 0.804 nan 8.230 nan 0.000 0.507 238 F N 0.817 120.860 119.950 0.156 0.000 2.546 238 F HA 0.744 5.270 4.527 -0.001 0.000 0.320 238 F C 0.481 176.408 175.800 0.211 0.000 1.076 238 F CA -0.458 57.675 58.000 0.223 0.000 0.928 238 F CB 1.877 41.108 39.000 0.386 0.000 1.189 238 F HN 0.514 nan 8.300 nan 0.000 0.465 239 T N 1.073 115.847 114.554 0.366 0.000 2.843 239 T HA 0.760 5.110 4.350 -0.001 0.000 0.302 239 T C -1.897 172.978 174.700 0.292 0.000 1.232 239 T CA -0.508 61.754 62.100 0.270 0.000 1.009 239 T CB 1.578 70.531 68.868 0.142 0.000 1.254 239 T HN 0.371 nan 8.240 nan 0.000 0.504 240 V N 3.616 123.672 119.914 0.238 0.000 2.680 240 V HA 0.695 4.815 4.120 -0.001 0.000 0.309 240 V C -0.434 175.809 176.094 0.248 0.000 1.052 240 V CA -0.706 61.728 62.300 0.223 0.000 0.908 240 V CB 1.791 33.704 31.823 0.150 0.000 1.001 240 V HN 0.849 nan 8.190 nan 0.000 0.431 241 M N 2.567 122.378 119.600 0.351 0.000 2.501 241 M HA 0.594 5.073 4.480 -0.001 0.000 0.293 241 M C -0.846 175.703 176.300 0.415 0.000 1.192 241 M CA -0.407 55.110 55.300 0.362 0.000 0.886 241 M CB 2.783 35.645 32.600 0.436 0.000 1.710 241 M HN 0.553 nan 8.290 nan 0.000 0.457 242 T N 0.435 115.148 114.554 0.266 0.000 2.907 242 T HA 0.557 4.906 4.350 -0.001 0.000 0.292 242 T C -1.568 173.072 174.700 -0.100 0.000 1.043 242 T CA -0.518 61.685 62.100 0.172 0.000 1.003 242 T CB 1.875 70.872 68.868 0.215 0.000 1.084 242 T HN 0.598 nan 8.240 nan 0.000 0.483 243 D N 0.171 120.383 120.400 -0.312 0.000 2.764 243 D HA 0.596 5.236 4.640 -0.001 0.000 0.227 243 D C -0.094 175.967 176.300 -0.398 0.000 1.347 243 D CA 0.319 54.002 54.000 -0.528 0.000 0.953 243 D CB 1.211 41.245 40.800 -1.277 0.000 1.476 243 D HN 0.954 nan 8.370 nan 0.000 0.585 244 G N 2.825 111.478 108.800 -0.246 0.000 2.340 244 G HA2 0.131 4.090 3.960 -0.001 0.000 0.282 244 G HA3 0.131 4.090 3.960 -0.001 0.000 0.282 244 G C -2.997 171.842 174.900 -0.102 0.000 1.312 244 G CA -0.879 44.110 45.100 -0.185 0.000 0.942 244 G HN 0.370 nan 8.290 nan 0.000 0.495 245 P HA 0.267 nan 4.420 nan 0.000 0.269 245 P C 0.695 178.027 177.300 0.054 0.000 1.215 245 P CA 0.521 63.583 63.100 -0.064 0.000 0.780 245 P CB 1.006 32.619 31.700 -0.146 0.000 0.898 246 S N -0.414 115.332 115.700 0.077 0.000 2.568 246 S HA 0.146 4.616 4.470 -0.001 0.000 0.232 246 S C 0.981 175.608 174.600 0.046 0.000 0.975 246 S CA -0.009 58.324 58.200 0.221 0.000 0.949 246 S CB -0.644 62.664 63.200 0.180 0.000 0.829 246 S HN 0.258 nan 8.310 nan 0.000 0.479 247 N N 1.221 119.864 118.700 -0.096 0.000 2.348 247 N HA 0.363 5.103 4.740 -0.001 0.000 0.183 247 N C 0.620 175.808 175.510 -0.538 0.000 1.094 247 N CA 0.914 53.848 53.050 -0.193 0.000 0.885 247 N CB 1.233 39.641 38.487 -0.132 0.000 1.065 247 N HN 0.628 nan 8.380 nan 0.000 0.472 248 G N -0.939 107.360 108.800 -0.834 0.000 2.578 248 G HA2 0.113 4.073 3.960 -0.001 0.000 0.302 248 G HA3 0.113 4.073 3.960 -0.001 0.000 0.302 248 G C -1.490 172.617 174.900 -1.321 0.000 1.243 248 G CA -0.518 43.452 45.100 -1.884 0.000 0.843 248 G HN -0.112 nan 8.290 nan 0.000 0.486 249 Q N 0.484 119.412 119.800 -1.453 0.000 2.308 249 Q HA 0.403 4.742 4.340 -0.001 0.000 0.313 249 Q C 0.366 176.243 176.000 -0.205 0.000 1.075 249 Q CA 0.881 56.402 55.803 -0.470 0.000 0.995 249 Q CB 0.747 29.356 28.738 -0.216 0.000 1.107 249 Q HN 0.904 nan 8.270 nan 0.000 0.380 250 A N 2.727 125.504 122.820 -0.071 0.000 2.470 250 A HA 0.692 5.012 4.320 -0.001 0.000 0.271 250 A C -0.794 176.404 177.584 -0.644 0.000 1.269 250 A CA -0.416 51.466 52.037 -0.259 0.000 0.828 250 A CB 1.718 20.636 19.000 -0.136 0.000 1.374 250 A HN 0.555 nan 8.150 nan 0.000 0.454 251 S N -0.872 114.463 115.700 -0.609 0.000 2.454 251 S HA 0.713 5.182 4.470 -0.001 0.000 0.306 251 S C -1.708 172.594 174.600 -0.496 0.000 1.100 251 S CA -0.354 57.542 58.200 -0.506 0.000 1.087 251 S CB 0.142 63.375 63.200 0.055 0.000 1.019 251 S HN 0.440 nan 8.310 nan 0.000 0.480 252 Y N 2.703 123.110 120.300 0.179 0.000 2.376 252 Y HA 0.614 5.164 4.550 -0.001 0.000 0.340 252 Y C 0.258 176.152 175.900 -0.011 0.000 0.965 252 Y CA -0.994 57.169 58.100 0.105 0.000 1.078 252 Y CB 1.425 39.852 38.460 -0.056 0.000 1.193 252 Y HN 0.395 nan 8.280 nan 0.000 0.452 253 K N 3.689 124.174 120.400 0.143 0.000 2.371 253 K HA 0.640 4.960 4.320 -0.001 0.000 0.251 253 K C -1.320 175.145 176.600 -0.226 0.000 0.934 253 K CA -0.769 55.385 56.287 -0.221 0.000 0.798 253 K CB 2.788 34.957 32.500 -0.552 0.000 1.204 253 K HN 0.615 nan 8.250 nan 0.000 0.427 254 I N 2.805 123.090 120.570 -0.474 0.000 2.377 254 I HA 0.354 4.524 4.170 -0.001 0.000 0.293 254 I C -0.848 175.004 176.117 -0.442 0.000 0.987 254 I CA -0.694 60.366 61.300 -0.400 0.000 1.185 254 I CB 0.660 38.220 38.000 -0.735 0.000 1.341 254 I HN 0.339 nan 8.210 nan 0.000 0.455 255 F N 4.978 124.867 119.950 -0.101 0.000 2.495 255 F HA 0.474 5.001 4.527 -0.001 0.000 0.327 255 F C 0.159 175.921 175.800 -0.063 0.000 1.103 255 F CA -0.770 57.179 58.000 -0.085 0.000 0.949 255 F CB 1.693 40.648 39.000 -0.074 0.000 1.142 255 F HN 0.287 nan 8.300 nan 0.000 0.457 256 K N 5.498 125.919 120.400 0.035 0.000 2.274 256 K HA 0.737 5.057 4.320 -0.001 0.000 0.262 256 K C -1.168 175.319 176.600 -0.188 0.000 0.961 256 K CA -0.584 55.569 56.287 -0.223 0.000 0.833 256 K CB 1.007 33.443 32.500 -0.107 0.000 1.102 256 K HN 0.817 nan 8.250 nan 0.000 0.436 257 M N 1.484 120.906 119.600 -0.297 0.000 2.550 257 M HA 0.506 4.986 4.480 -0.001 0.000 0.292 257 M C -1.483 174.682 176.300 -0.224 0.000 1.221 257 M CA -0.861 54.324 55.300 -0.192 0.000 0.873 257 M CB 2.374 34.901 32.600 -0.121 0.000 1.727 257 M HN 0.458 nan 8.290 nan 0.000 0.459 258 E N 0.904 120.983 120.200 -0.202 0.000 2.263 258 E HA 0.385 4.735 4.350 -0.001 0.000 0.268 258 E C -1.245 175.134 176.600 -0.370 0.000 0.884 258 E CA -0.841 55.413 56.400 -0.242 0.000 0.766 258 E CB 2.214 31.802 29.700 -0.186 0.000 1.196 258 E HN 0.753 nan 8.360 nan 0.000 0.416 259 K N 1.206 121.210 120.400 -0.660 0.000 3.069 259 K HA -0.265 4.055 4.320 -0.001 0.000 0.267 259 K C 0.574 176.640 176.600 -0.890 0.000 1.082 259 K CA 0.629 56.062 56.287 -1.424 0.000 0.782 259 K CB -1.460 30.558 32.500 -0.804 0.000 1.230 259 K HN 1.104 nan 8.250 nan 0.000 0.488 260 G N 0.675 109.234 108.800 -0.402 0.000 2.143 260 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.248 260 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.248 260 G C -0.173 174.668 174.900 -0.098 0.000 0.991 260 G CA 0.857 45.906 45.100 -0.085 0.000 0.689 260 G HN 0.423 nan 8.290 nan 0.000 0.522 261 K N 0.350 120.663 120.400 -0.144 0.000 2.345 261 K HA 0.612 4.932 4.320 -0.001 0.000 0.255 261 K C 0.333 176.881 176.600 -0.086 0.000 0.934 261 K CA -0.873 55.353 56.287 -0.101 0.000 0.801 261 K CB 1.806 34.244 32.500 -0.104 0.000 1.137 261 K HN 0.039 nan 8.250 nan 0.000 0.424 262 V N 5.527 125.412 119.914 -0.048 0.000 2.485 262 V HA -0.030 4.089 4.120 -0.001 0.000 0.287 262 V C 1.165 177.244 176.094 -0.024 0.000 1.022 262 V CA 0.109 62.405 62.300 -0.007 0.000 1.067 262 V CB 0.743 32.605 31.823 0.066 0.000 0.967 262 V HN 0.763 nan 8.190 nan 0.000 0.479 263 V N 1.766 121.656 119.914 -0.041 0.000 3.621 263 V HA 0.468 4.587 4.120 -0.001 0.000 0.263 263 V C 0.429 176.499 176.094 -0.040 0.000 1.272 263 V CA 0.446 62.719 62.300 -0.046 0.000 1.080 263 V CB -0.156 31.630 31.823 -0.062 0.000 0.816 263 V HN 0.776 nan 8.190 nan 0.000 0.451 264 K N 0.678 121.055 120.400 -0.040 0.000 2.598 264 K HA 0.599 4.919 4.320 -0.001 0.000 0.271 264 K C -1.554 174.974 176.600 -0.120 0.000 0.947 264 K CA 0.357 56.605 56.287 -0.065 0.000 0.854 264 K CB 2.218 34.693 32.500 -0.042 0.000 1.401 264 K HN 0.448 nan 8.250 nan 0.000 0.415 265 S N 0.855 116.421 115.700 -0.223 0.000 2.566 265 S HA 0.591 5.061 4.470 -0.001 0.000 0.273 265 S C -1.374 172.965 174.600 -0.435 0.000 1.157 265 S CA -0.786 57.128 58.200 -0.476 0.000 0.938 265 S CB 1.723 64.491 63.200 -0.720 0.000 1.087 265 S HN 0.224 nan 8.310 nan 0.000 0.474 266 V N 2.272 121.906 119.914 -0.467 0.000 2.540 266 V HA 0.531 4.651 4.120 -0.001 0.000 0.302 266 V C -0.138 175.717 176.094 -0.397 0.000 1.035 266 V CA -0.632 61.469 62.300 -0.333 0.000 0.873 266 V CB 1.683 33.398 31.823 -0.180 0.000 0.992 266 V HN 1.027 nan 8.190 nan 0.000 0.428 267 E N 4.716 124.733 120.200 -0.305 0.000 2.130 267 E HA 0.401 4.751 4.350 -0.001 0.000 0.284 267 E C -0.690 175.791 176.600 -0.198 0.000 1.018 267 E CA -0.553 55.686 56.400 -0.269 0.000 0.817 267 E CB 0.806 30.373 29.700 -0.221 0.000 1.078 267 E HN 0.609 nan 8.360 nan 0.000 0.396 268 L N 4.158 125.217 121.223 -0.272 0.000 2.540 268 L HA 0.020 4.360 4.340 -0.001 0.000 0.276 268 L C 0.501 177.336 176.870 -0.057 0.000 1.212 268 L CA 0.170 54.796 54.840 -0.357 0.000 0.893 268 L CB 0.229 42.026 42.059 -0.437 0.000 1.138 268 L HN 0.667 nan 8.230 nan 0.000 0.491 269 D N 3.610 124.030 120.400 0.032 0.000 2.767 269 D HA 0.283 4.922 4.640 -0.001 0.000 0.241 269 D C -0.026 176.331 176.300 0.095 0.000 1.187 269 D CA -0.205 53.856 54.000 0.102 0.000 0.999 269 D CB 0.516 41.398 40.800 0.135 0.000 1.042 269 D HN 0.507 nan 8.370 nan 0.000 0.510 270 A N 3.332 126.225 122.820 0.121 0.000 3.056 270 A HA 0.397 4.717 4.320 -0.001 0.000 0.328 270 A C -2.397 175.412 177.584 0.376 0.000 1.233 270 A CA -1.233 50.855 52.037 0.086 0.000 0.965 270 A CB 0.254 19.223 19.000 -0.051 0.000 1.123 270 A HN 0.253 nan 8.150 nan 0.000 0.502 271 P HA 0.064 nan 4.420 nan 0.000 0.268 271 P C 0.231 177.840 177.300 0.514 0.000 1.204 271 P CA 0.495 63.827 63.100 0.385 0.000 0.768 271 P CB 0.800 32.654 31.700 0.256 0.000 0.842 272 N N 0.116 119.158 118.700 0.572 0.000 2.965 272 N HA -0.201 4.538 4.740 -0.001 0.000 0.232 272 N C -0.965 174.803 175.510 0.430 0.000 0.913 272 N CA 1.128 54.462 53.050 0.475 0.000 0.981 272 N CB -1.815 36.783 38.487 0.184 0.000 1.077 272 N HN 0.353 nan 8.380 nan 0.000 0.589 273 Y N 0.396 120.964 120.300 0.446 0.000 2.432 273 Y HA 0.572 5.121 4.550 -0.001 0.000 0.322 273 Y C 0.717 176.886 175.900 0.448 0.000 1.246 273 Y CA -0.150 58.159 58.100 0.349 0.000 1.268 273 Y CB 1.093 39.693 38.460 0.234 0.000 1.276 273 Y HN 0.095 nan 8.280 nan 0.000 0.499 274 H N 1.842 120.990 119.070 0.130 0.000 3.181 274 H HA 0.264 4.820 4.556 -0.001 0.000 0.331 274 H C -1.972 173.190 175.328 -0.277 0.000 0.988 274 H CA -0.528 55.596 56.048 0.128 0.000 1.449 274 H CB 0.619 30.598 29.762 0.361 0.000 1.749 274 H HN 0.666 nan 8.280 nan 0.000 0.501 275 Y N 2.616 122.511 120.300 -0.676 0.000 2.409 275 Y HA 0.456 5.005 4.550 -0.001 0.000 0.339 275 Y C 0.110 175.886 175.900 -0.206 0.000 1.033 275 Y CA -0.457 57.385 58.100 -0.430 0.000 1.094 275 Y CB 2.154 40.291 38.460 -0.539 0.000 1.210 275 Y HN 0.609 nan 8.280 nan 0.000 0.456 276 E N 0.364 120.612 120.200 0.080 0.000 2.388 276 E HA 0.185 4.534 4.350 -0.001 0.000 0.281 276 E C -1.503 175.153 176.600 0.094 0.000 1.046 276 E CA -0.960 55.497 56.400 0.095 0.000 0.825 276 E CB 1.414 31.158 29.700 0.073 0.000 1.243 276 E HN 0.694 nan 8.360 nan 0.000 0.438 277 E N -0.101 120.166 120.200 0.111 0.000 2.183 277 E HA -0.259 4.090 4.350 -0.001 0.000 0.196 277 E C -0.813 175.843 176.600 0.093 0.000 1.364 277 E CA 0.265 56.724 56.400 0.099 0.000 0.700 277 E CB -1.887 27.836 29.700 0.039 0.000 1.106 277 E HN 0.292 nan 8.360 nan 0.000 0.347 278 c N 1.528 120.204 118.600 0.126 0.000 2.637 278 c HA 0.189 4.758 4.570 -0.001 0.000 0.418 278 c C 1.202 175.381 174.090 0.147 0.000 1.319 278 c CA -0.267 56.150 56.329 0.147 0.000 1.949 278 c CB 0.530 43.145 42.510 0.174 0.000 2.639 278 c HN 0.405 nan 8.230 nan 0.000 0.594 279 S N 2.257 118.054 115.700 0.160 0.000 2.410 279 S HA 0.380 4.850 4.470 -0.001 0.000 0.304 279 S C -0.337 174.394 174.600 0.218 0.000 1.095 279 S CA -0.422 57.885 58.200 0.180 0.000 1.089 279 S CB 0.200 63.500 63.200 0.167 0.000 0.968 279 S HN 0.832 nan 8.310 nan 0.000 0.480 280 c N 4.154 122.883 118.600 0.216 0.000 2.417 280 c HA 0.793 5.363 4.570 -0.001 0.000 0.324 280 c C -0.465 173.772 174.090 0.245 0.000 1.240 280 c CA -1.094 55.336 56.329 0.169 0.000 1.632 280 c CB -0.470 42.127 42.510 0.145 0.000 2.241 280 c HN 0.923 nan 8.230 nan 0.000 0.499 281 Y N 1.465 121.848 120.300 0.139 0.000 2.545 281 Y HA 0.849 5.399 4.550 -0.001 0.000 0.348 281 Y C -3.073 172.865 175.900 0.062 0.000 1.002 281 Y CA -3.305 54.892 58.100 0.161 0.000 1.039 281 Y CB 0.933 39.564 38.460 0.285 0.000 1.271 281 Y HN 0.441 nan 8.280 nan 0.000 0.467 282 P HA 0.246 nan 4.420 nan 0.000 0.292 282 P C -1.372 175.993 177.300 0.110 0.000 1.283 282 P CA -0.304 62.820 63.100 0.040 0.000 0.835 282 P CB 1.863 33.613 31.700 0.083 0.000 1.017 283 N N 2.088 120.778 118.700 -0.017 0.000 2.542 283 N HA 0.287 5.027 4.740 -0.001 0.000 0.288 283 N C -0.691 174.783 175.510 -0.060 0.000 1.115 283 N CA -0.106 52.950 53.050 0.010 0.000 0.924 283 N CB 1.530 40.066 38.487 0.081 0.000 1.526 283 N HN 0.509 nan 8.380 nan 0.000 0.515 284 A N 2.523 125.318 122.820 -0.042 0.000 2.610 284 A HA -0.049 4.270 4.320 -0.001 0.000 0.299 284 A C 1.352 178.900 177.584 -0.061 0.000 1.487 284 A CA 1.768 53.776 52.037 -0.049 0.000 0.743 284 A CB -2.170 16.794 19.000 -0.060 0.000 1.070 284 A HN 2.022 nan 8.150 nan 0.000 0.439 285 G N -1.543 107.227 108.800 -0.050 0.000 2.200 285 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.267 285 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.267 285 G C -0.069 174.757 174.900 -0.123 0.000 0.993 285 G CA 1.345 46.411 45.100 -0.057 0.000 0.701 285 G HN 1.378 nan 8.290 nan 0.000 0.524 286 E N -1.306 118.786 120.200 -0.180 0.000 2.343 286 E HA 0.629 4.978 4.350 -0.001 0.000 0.270 286 E C -0.883 175.459 176.600 -0.430 0.000 0.895 286 E CA -1.177 55.041 56.400 -0.303 0.000 0.767 286 E CB 1.537 31.092 29.700 -0.241 0.000 1.248 286 E HN 0.081 nan 8.360 nan 0.000 0.440 287 I N 1.225 121.367 120.570 -0.714 0.000 2.359 287 I HA 0.232 4.401 4.170 -0.001 0.000 0.294 287 I C -0.046 175.592 176.117 -0.799 0.000 0.987 287 I CA -0.034 60.771 61.300 -0.824 0.000 1.225 287 I CB 1.684 38.985 38.000 -1.166 0.000 1.366 287 I HN 0.305 nan 8.210 nan 0.000 0.466 288 T N 5.034 119.166 114.554 -0.702 0.000 2.792 288 T HA 0.504 4.853 4.350 -0.001 0.000 0.280 288 T C -0.878 173.620 174.700 -0.335 0.000 0.990 288 T CA -0.332 61.458 62.100 -0.517 0.000 0.960 288 T CB 0.725 69.182 68.868 -0.684 0.000 0.939 288 T HN 0.538 nan 8.240 nan 0.000 0.439 289 c N 3.250 121.867 118.600 0.028 0.000 2.408 289 c HA 0.757 5.327 4.570 -0.001 0.000 0.321 289 c C -0.017 174.258 174.090 0.308 0.000 1.245 289 c CA -0.840 55.588 56.329 0.164 0.000 1.523 289 c CB 0.913 43.552 42.510 0.214 0.000 2.178 289 c HN 0.671 nan 8.230 nan 0.000 0.488 290 V N 2.635 122.714 119.914 0.275 0.000 2.448 290 V HA 0.585 4.705 4.120 -0.001 0.000 0.295 290 V C 0.132 176.328 176.094 0.170 0.000 1.025 290 V CA -0.113 62.338 62.300 0.252 0.000 0.859 290 V CB 1.074 33.024 31.823 0.212 0.000 0.988 290 V HN 1.165 nan 8.190 nan 0.000 0.431 291 c N 3.460 122.133 118.600 0.121 0.000 3.459 291 c HA 0.759 5.329 4.570 -0.001 0.000 0.358 291 c C 0.066 174.141 174.090 -0.025 0.000 2.992 291 c CA -1.018 55.356 56.329 0.074 0.000 1.568 291 c CB 1.650 44.261 42.510 0.169 0.000 3.388 291 c HN 0.906 nan 8.230 nan 0.000 0.515 292 R N 1.127 121.608 120.500 -0.032 0.000 2.480 292 R HA 0.407 4.746 4.340 -0.001 0.000 0.306 292 R C -1.854 174.446 176.300 -0.000 0.000 0.958 292 R CA -0.033 56.042 56.100 -0.043 0.000 0.861 292 R CB 1.069 31.337 30.300 -0.052 0.000 1.171 292 R HN 0.818 nan 8.270 nan 0.000 0.445 293 D N 3.252 123.665 120.400 0.021 0.000 2.428 293 D HA 0.075 4.715 4.640 -0.001 0.000 0.221 293 D C -0.241 176.178 176.300 0.199 0.000 1.123 293 D CA -0.175 53.926 54.000 0.169 0.000 0.869 293 D CB 1.090 41.980 40.800 0.151 0.000 1.032 293 D HN 0.669 nan 8.370 nan 0.000 0.506 294 N N 3.161 122.070 118.700 0.348 0.000 2.280 294 N HA 0.046 4.785 4.740 -0.001 0.000 0.192 294 N C 0.687 176.226 175.510 0.048 0.000 1.109 294 N CA -0.126 53.034 53.050 0.183 0.000 0.855 294 N CB 0.214 38.847 38.487 0.243 0.000 0.974 294 N HN 0.480 nan 8.380 nan 0.000 0.482 295 W N 0.661 121.703 121.300 -0.430 0.000 2.916 295 W HA 0.153 4.812 4.660 -0.001 0.000 0.289 295 W C 0.083 176.460 176.519 -0.236 0.000 1.036 295 W CA 1.471 58.468 57.345 -0.581 0.000 1.776 295 W CB -0.610 28.201 29.460 -1.082 0.000 1.176 295 W HN 0.263 nan 8.180 nan 0.000 0.534 296 H N -1.024 117.892 119.070 -0.257 0.000 2.924 296 H HA 0.600 5.156 4.556 -0.001 0.000 0.229 296 H C -0.353 174.794 175.328 -0.301 0.000 1.345 296 H CA -1.025 54.787 56.048 -0.394 0.000 1.044 296 H CB -0.217 29.079 29.762 -0.775 0.000 2.221 296 H HN 0.103 nan 8.280 nan 0.000 0.574 297 G N -0.601 108.228 108.800 0.049 0.000 2.687 297 G HA2 0.428 4.387 3.960 -0.001 0.000 0.301 297 G HA3 0.428 4.387 3.960 -0.001 0.000 0.301 297 G C -0.035 174.860 174.900 -0.009 0.000 1.416 297 G CA -0.617 44.489 45.100 0.011 0.000 1.005 297 G HN 0.176 nan 8.290 nan 0.000 0.509 298 S N 0.857 116.503 115.700 -0.091 0.000 2.458 298 S HA 0.021 4.490 4.470 -0.001 0.000 0.223 298 S C 1.245 175.839 174.600 -0.010 0.000 1.019 298 S CA 0.143 58.270 58.200 -0.121 0.000 0.937 298 S CB -0.066 62.909 63.200 -0.375 0.000 0.788 298 S HN 0.832 nan 8.310 nan 0.000 0.511 299 N N 1.690 120.422 118.700 0.055 0.000 2.478 299 N HA 0.258 4.998 4.740 -0.001 0.000 0.275 299 N C -0.634 174.931 175.510 0.093 0.000 1.221 299 N CA -0.590 52.549 53.050 0.148 0.000 0.979 299 N CB 0.571 39.191 38.487 0.221 0.000 1.202 299 N HN 0.009 nan 8.380 nan 0.000 0.564 300 R N -0.179 120.323 120.500 0.004 0.000 2.368 300 R HA 0.456 4.796 4.340 -0.001 0.000 0.302 300 R C -2.128 173.950 176.300 -0.370 0.000 1.002 300 R CA -1.529 54.490 56.100 -0.135 0.000 0.929 300 R CB 1.491 31.735 30.300 -0.094 0.000 1.073 300 R HN 0.559 nan 8.270 nan 0.000 0.464 301 P HA 0.235 nan 4.420 nan 0.000 0.278 301 P C -0.931 176.221 177.300 -0.247 0.000 1.258 301 P CA -0.352 62.055 63.100 -1.155 0.000 0.811 301 P CB 0.975 31.730 31.700 -1.576 0.000 1.063 302 W N -0.446 120.810 121.300 -0.073 0.000 3.118 302 W HA 0.622 5.282 4.660 -0.001 0.000 0.328 302 W C -2.490 174.243 176.519 0.357 0.000 1.239 302 W CA -1.210 56.258 57.345 0.205 0.000 1.176 302 W CB 0.840 30.402 29.460 0.169 0.000 1.433 302 W HN 0.007 nan 8.180 nan 0.000 0.562 303 V N 2.349 122.635 119.914 0.621 0.000 2.711 303 V HA 0.423 4.543 4.120 -0.001 0.000 0.304 303 V C -0.147 176.250 176.094 0.505 0.000 1.097 303 V CA -0.649 61.898 62.300 0.412 0.000 0.906 303 V CB 1.232 33.096 31.823 0.068 0.000 1.015 303 V HN 0.676 nan 8.190 nan 0.000 0.427 304 S N 3.875 119.905 115.700 0.551 0.000 2.600 304 S HA 1.028 5.497 4.470 -0.001 0.000 0.300 304 S C -0.912 173.878 174.600 0.318 0.000 1.087 304 S CA -0.708 57.623 58.200 0.218 0.000 0.965 304 S CB 2.438 65.766 63.200 0.214 0.000 1.089 304 S HN 1.371 nan 8.310 nan 0.000 0.496 305 F N -1.254 118.713 119.950 0.029 0.000 2.746 305 F HA 0.630 5.157 4.527 -0.001 0.000 0.311 305 F C -0.960 174.770 175.800 -0.118 0.000 1.135 305 F CA -1.176 56.827 58.000 0.005 0.000 0.954 305 F CB 0.329 39.359 39.000 0.051 0.000 1.276 305 F HN 0.688 nan 8.300 nan 0.000 0.440 309 N N 0.505 119.305 118.700 0.167 0.000 2.235 309 N HA 0.158 4.897 4.740 -0.001 0.000 0.231 309 N C -0.266 175.311 175.510 0.112 0.000 1.177 309 N CA 0.167 53.291 53.050 0.124 0.000 0.874 309 N CB 1.008 39.535 38.487 0.067 0.000 1.097 309 N HN 0.054 nan 8.380 nan 0.000 0.518 310 L N 0.541 121.865 121.223 0.168 0.000 4.040 310 L HA -0.246 4.094 4.340 -0.001 0.000 0.410 310 L C -0.343 176.601 176.870 0.124 0.000 1.187 310 L CA 0.846 55.741 54.840 0.093 0.000 0.956 310 L CB -2.243 39.805 42.059 -0.018 0.000 2.022 310 L HN 0.215 nan 8.230 nan 0.000 0.897 311 E N -0.264 120.005 120.200 0.115 0.000 2.194 311 E HA 0.480 4.830 4.350 -0.001 0.000 0.284 311 E C -0.043 176.623 176.600 0.110 0.000 1.035 311 E CA -0.320 56.089 56.400 0.015 0.000 0.836 311 E CB 0.670 30.360 29.700 -0.017 0.000 1.070 311 E HN 0.372 nan 8.360 nan 0.000 0.401 312 Y N 0.336 120.675 120.300 0.065 0.000 2.686 312 Y HA 0.624 5.174 4.550 -0.001 0.000 0.330 312 Y C -0.430 175.522 175.900 0.088 0.000 1.082 312 Y CA -1.206 56.969 58.100 0.124 0.000 1.158 312 Y CB 1.203 39.706 38.460 0.072 0.000 1.333 312 Y HN 0.288 nan 8.280 nan 0.000 0.519 313 Q N 1.205 121.239 119.800 0.390 0.000 2.456 313 Q HA 0.707 5.047 4.340 -0.001 0.000 0.284 313 Q C -1.393 174.694 176.000 0.144 0.000 1.061 313 Q CA -1.072 54.887 55.803 0.259 0.000 0.799 313 Q CB 3.596 32.538 28.738 0.340 0.000 1.445 313 Q HN 0.817 nan 8.270 nan 0.000 0.411 314 I N -2.897 117.560 120.570 -0.187 0.000 3.074 314 I HA 1.009 5.178 4.170 -0.001 0.000 0.310 314 I C -0.253 175.294 176.117 -0.950 0.000 1.153 314 I CA -0.863 60.050 61.300 -0.646 0.000 0.993 314 I CB 2.457 40.180 38.000 -0.462 0.000 1.237 314 I HN 0.725 nan 8.210 nan 0.000 0.443 315 G N 1.384 109.455 108.800 -1.216 0.000 2.325 315 G HA2 0.499 4.458 3.960 -0.001 0.000 0.295 315 G HA3 0.499 4.458 3.960 -0.001 0.000 0.295 315 G C -2.577 172.059 174.900 -0.441 0.000 1.274 315 G CA -0.571 44.184 45.100 -0.575 0.000 0.857 315 G HN 0.599 nan 8.290 nan 0.000 0.499 316 Y N -0.597 119.674 120.300 -0.048 0.000 2.524 316 Y HA 0.582 5.132 4.550 -0.001 0.000 0.347 316 Y C 0.579 176.513 175.900 0.056 0.000 1.005 316 Y CA -0.862 57.252 58.100 0.023 0.000 1.025 316 Y CB 1.985 40.367 38.460 -0.131 0.000 1.275 316 Y HN 0.490 nan 8.280 nan 0.000 0.460 317 I N 3.002 123.575 120.570 0.006 0.000 2.581 317 I HA -0.093 4.077 4.170 -0.001 0.000 0.285 317 I C 0.449 176.512 176.117 -0.090 0.000 1.129 317 I CA 0.239 61.364 61.300 -0.292 0.000 1.397 317 I CB 0.303 38.128 38.000 -0.292 0.000 1.399 317 I HN 0.784 nan 8.210 nan 0.000 0.537 318 c N 3.184 121.717 118.600 -0.111 0.000 2.481 318 c HA -0.036 4.533 4.570 -0.001 0.000 0.275 318 c C 1.758 175.815 174.090 -0.056 0.000 1.419 318 c CA -0.212 56.096 56.329 -0.036 0.000 1.773 318 c CB -1.208 41.290 42.510 -0.020 0.000 1.862 318 c HN 0.867 nan 8.230 nan 0.000 0.530 319 S N 1.192 116.828 115.700 -0.107 0.000 2.571 319 S HA 0.206 4.675 4.470 -0.001 0.000 0.298 319 S C 1.427 175.869 174.600 -0.263 0.000 1.280 319 S CA 0.609 58.714 58.200 -0.158 0.000 1.052 319 S CB 0.516 63.613 63.200 -0.171 0.000 0.799 319 S HN 0.635 nan 8.310 nan 0.000 0.501 320 G N 3.038 111.644 108.800 -0.323 0.000 2.679 320 G HA2 0.052 4.011 3.960 -0.001 0.000 0.212 320 G HA3 0.052 4.011 3.960 -0.001 0.000 0.212 320 G C 0.272 174.575 174.900 -0.994 0.000 1.137 320 G CA 0.111 44.865 45.100 -0.576 0.000 0.787 320 G HN 0.651 nan 8.290 nan 0.000 0.534 321 V N 2.750 122.302 119.914 -0.604 0.000 2.222 321 V HA 0.260 4.379 4.120 -0.001 0.000 0.253 321 V C -0.232 175.598 176.094 -0.439 0.000 1.210 321 V CA -0.985 61.029 62.300 -0.477 0.000 1.079 321 V CB -1.007 30.662 31.823 -0.257 0.000 1.265 321 V HN 0.218 nan 8.190 nan 0.000 0.494 322 F N 2.015 121.921 119.950 -0.074 0.000 2.612 322 F HA 0.195 4.721 4.527 -0.001 0.000 0.389 322 F C 1.640 177.374 175.800 -0.111 0.000 1.055 322 F CA 0.451 58.402 58.000 -0.081 0.000 1.232 322 F CB 0.488 39.453 39.000 -0.059 0.000 1.044 322 F HN 0.458 nan 8.300 nan 0.000 0.560 323 G N 1.340 110.166 108.800 0.044 0.000 2.796 323 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.210 323 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.210 323 G C 0.138 175.008 174.900 -0.050 0.000 1.146 323 G CA -0.038 45.021 45.100 -0.069 0.000 0.779 323 G HN 0.542 nan 8.290 nan 0.000 0.535 324 D N 0.261 120.663 120.400 0.004 0.000 2.383 324 D HA 0.233 4.873 4.640 -0.001 0.000 0.248 324 D C -0.520 175.791 176.300 0.019 0.000 1.170 324 D CA -0.421 53.577 54.000 -0.003 0.000 0.977 324 D CB 0.757 41.558 40.800 0.001 0.000 1.120 324 D HN 0.069 nan 8.370 nan 0.000 0.481 325 N N 1.178 119.896 118.700 0.030 0.000 2.397 325 N HA 0.265 5.004 4.740 -0.001 0.000 0.291 325 N C -2.990 172.587 175.510 0.111 0.000 1.065 325 N CA -1.422 51.671 53.050 0.072 0.000 0.884 325 N CB 2.582 41.125 38.487 0.094 0.000 1.551 325 N HN 0.147 nan 8.380 nan 0.000 0.487 326 P HA 0.183 nan 4.420 nan 0.000 0.271 326 P C -0.799 176.534 177.300 0.055 0.000 1.244 326 P CA 0.140 63.307 63.100 0.112 0.000 0.793 326 P CB 1.155 32.930 31.700 0.125 0.000 0.984 327 R N -0.843 119.676 120.500 0.032 0.000 2.728 327 R HA 0.647 4.986 4.340 -0.001 0.000 0.274 327 R C -3.103 173.186 176.300 -0.019 0.000 1.030 327 R CA -1.933 54.158 56.100 -0.015 0.000 0.876 327 R CB 0.746 31.074 30.300 0.046 0.000 1.259 327 R HN 0.188 nan 8.270 nan 0.000 0.468 328 P HA 0.188 nan 4.420 nan 0.000 0.283 328 P C -0.967 176.415 177.300 0.136 0.000 1.278 328 P CA -0.662 62.417 63.100 -0.035 0.000 0.834 328 P CB 0.729 32.324 31.700 -0.175 0.000 1.150 329 N N 0.838 119.612 118.700 0.123 0.000 2.395 329 N HA 0.008 4.748 4.740 -0.001 0.000 0.246 329 N C 0.050 175.719 175.510 0.265 0.000 1.246 329 N CA 0.472 53.611 53.050 0.149 0.000 0.879 329 N CB -0.115 38.424 38.487 0.087 0.000 1.098 329 N HN 0.383 nan 8.380 nan 0.000 0.444 330 D N 0.203 120.698 120.400 0.158 0.000 2.525 330 D HA 0.207 4.846 4.640 -0.001 0.000 0.235 330 D C 0.918 177.238 176.300 0.033 0.000 1.137 330 D CA 0.686 54.684 54.000 -0.003 0.000 0.868 330 D CB 0.808 41.561 40.800 -0.078 0.000 1.180 330 D HN 0.634 nan 8.370 nan 0.000 0.465 331 G N 0.800 109.564 108.800 -0.059 0.000 2.899 331 G HA2 0.200 4.160 3.960 -0.001 0.000 0.137 331 G HA3 0.200 4.160 3.960 -0.001 0.000 0.137 331 G C -0.971 173.913 174.900 -0.027 0.000 1.198 331 G CA -0.454 44.668 45.100 0.036 0.000 1.126 331 G HN 0.349 nan 8.290 nan 0.000 0.589 332 T N 1.367 115.973 114.554 0.088 0.000 2.728 332 T HA 0.566 4.915 4.350 -0.001 0.000 0.296 332 T C 0.746 175.540 174.700 0.157 0.000 0.940 332 T CA 0.420 62.552 62.100 0.053 0.000 1.013 332 T CB 0.880 69.772 68.868 0.040 0.000 0.912 332 T HN 0.793 nan 8.240 nan 0.000 0.484 340 P HA 0.260 nan 4.420 nan 0.000 0.262 340 P C -0.053 176.907 177.300 -0.567 0.000 1.182 340 P CA -0.097 62.392 63.100 -1.019 0.000 0.761 340 P CB 0.945 32.026 31.700 -1.030 0.000 0.795 341 V N 4.295 123.988 119.914 -0.368 0.000 2.320 341 V HA 0.098 4.218 4.120 -0.001 0.000 0.265 341 V C 1.011 176.913 176.094 -0.320 0.000 1.048 341 V CA -0.154 61.953 62.300 -0.322 0.000 0.865 341 V CB 0.015 31.639 31.823 -0.331 0.000 1.043 341 V HN 0.653 nan 8.190 nan 0.000 0.474 345 G N 0.161 108.925 108.800 -0.059 0.000 2.263 345 G HA2 0.321 4.281 3.960 -0.001 0.000 0.207 345 G HA3 0.321 4.281 3.960 -0.001 0.000 0.207 345 G C 0.622 175.546 174.900 0.039 0.000 1.072 345 G CA 0.001 45.089 45.100 -0.019 0.000 0.800 345 G HN 1.291 nan 8.290 nan 0.000 0.491 346 A N -0.932 121.929 122.820 0.069 0.000 2.169 346 A HA 0.596 4.916 4.320 -0.001 0.000 0.212 346 A C 0.884 178.589 177.584 0.202 0.000 1.153 346 A CA 1.572 53.677 52.037 0.113 0.000 0.756 346 A CB 0.042 19.096 19.000 0.090 0.000 0.813 346 A HN 1.188 nan 8.150 nan 0.000 0.471 347 Y N -1.786 118.541 120.300 0.045 0.000 3.338 347 Y HA 0.581 5.131 4.550 -0.001 0.000 0.293 347 Y C 0.626 176.572 175.900 0.077 0.000 1.809 347 Y CA -0.321 57.818 58.100 0.066 0.000 0.882 347 Y CB 0.407 38.905 38.460 0.062 0.000 1.367 347 Y HN 0.403 nan 8.280 nan 0.000 0.672 348 G N 0.055 108.654 108.800 -0.335 0.000 2.344 348 G HA2 0.438 4.397 3.960 -0.001 0.000 0.282 348 G HA3 0.438 4.397 3.960 -0.001 0.000 0.282 348 G C -2.336 172.354 174.900 -0.350 0.000 1.281 348 G CA -0.012 44.946 45.100 -0.237 0.000 0.877 348 G HN 1.162 nan 8.290 nan 0.000 0.494 349 V N -0.477 119.324 119.914 -0.188 0.000 3.225 349 V HA 0.704 4.823 4.120 -0.001 0.000 0.293 349 V C -0.885 175.042 176.094 -0.279 0.000 1.405 349 V CA -0.651 61.553 62.300 -0.160 0.000 1.038 349 V CB 2.049 33.892 31.823 0.034 0.000 1.123 349 V HN 1.105 nan 8.190 nan 0.000 0.447 350 K N 2.828 122.826 120.400 -0.670 0.000 2.349 350 K HA 0.649 4.969 4.320 -0.001 0.000 0.288 350 K C -0.000 176.474 176.600 -0.210 0.000 1.058 350 K CA 0.701 56.658 56.287 -0.549 0.000 0.953 350 K CB 0.753 32.679 32.500 -0.956 0.000 0.997 350 K HN 1.007 nan 8.250 nan 0.000 0.477 351 G N 2.775 111.529 108.800 -0.076 0.000 3.086 351 G HA2 0.718 4.678 3.960 -0.001 0.000 0.282 351 G HA3 0.718 4.678 3.960 -0.001 0.000 0.282 351 G C -1.416 173.553 174.900 0.115 0.000 1.343 351 G CA -0.874 44.248 45.100 0.037 0.000 0.895 351 G HN 0.644 nan 8.290 nan 0.000 0.557 352 F N -2.470 117.387 119.950 -0.156 0.000 2.779 352 F HA 0.876 5.402 4.527 -0.001 0.000 0.316 352 F C -0.724 174.960 175.800 -0.193 0.000 1.164 352 F CA -1.599 56.288 58.000 -0.189 0.000 0.924 352 F CB 1.515 40.321 39.000 -0.324 0.000 1.348 352 F HN 0.582 nan 8.300 nan 0.000 0.467 353 S N 0.176 115.727 115.700 -0.247 0.000 2.542 353 S HA 0.606 5.076 4.470 -0.001 0.000 0.276 353 S C -1.881 172.734 174.600 0.025 0.000 1.148 353 S CA -0.650 57.430 58.200 -0.199 0.000 0.886 353 S CB 1.163 64.366 63.200 0.005 0.000 1.109 353 S HN 0.595 nan 8.310 nan 0.000 0.458 354 F N 2.395 122.584 119.950 0.398 0.000 2.427 354 F HA 0.497 5.023 4.527 -0.001 0.000 0.346 354 F C 0.421 176.479 175.800 0.431 0.000 1.120 354 F CA -0.696 57.510 58.000 0.342 0.000 1.033 354 F CB 1.357 40.602 39.000 0.408 0.000 1.126 354 F HN 0.311 nan 8.300 nan 0.000 0.462 355 K N 4.430 125.059 120.400 0.382 0.000 2.240 355 K HA 0.365 4.685 4.320 -0.001 0.000 0.271 355 K C -1.980 174.579 176.600 -0.069 0.000 1.018 355 K CA -0.472 55.856 56.287 0.068 0.000 0.874 355 K CB 0.696 32.778 32.500 -0.697 0.000 1.098 355 K HN 0.611 nan 8.250 nan 0.000 0.458 356 Y N 3.531 123.926 120.300 0.159 0.000 2.376 356 Y HA 0.279 4.829 4.550 -0.001 0.000 0.326 356 Y C 0.958 176.912 175.900 0.090 0.000 0.970 356 Y CA 0.438 58.625 58.100 0.145 0.000 1.248 356 Y CB 1.709 40.324 38.460 0.257 0.000 1.117 356 Y HN 1.064 nan 8.280 nan 0.000 0.476 357 G N 2.883 111.718 108.800 0.059 0.000 2.596 357 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.304 357 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.304 357 G C 0.985 175.857 174.900 -0.047 0.000 1.189 357 G CA 0.694 45.803 45.100 0.015 0.000 0.986 357 G HN 0.588 nan 8.290 nan 0.000 0.548 358 N N 2.501 121.217 118.700 0.027 0.000 2.280 358 N HA 0.199 4.939 4.740 -0.001 0.000 0.192 358 N C 1.130 176.689 175.510 0.081 0.000 1.109 358 N CA 0.910 53.988 53.050 0.047 0.000 0.855 358 N CB 0.507 39.027 38.487 0.054 0.000 0.974 358 N HN 0.768 nan 8.380 nan 0.000 0.482 359 G N 0.530 109.370 108.800 0.067 0.000 2.535 359 G HA2 0.532 4.491 3.960 -0.001 0.000 0.303 359 G HA3 0.532 4.491 3.960 -0.001 0.000 0.303 359 G C -0.338 174.627 174.900 0.108 0.000 1.237 359 G CA -0.274 44.749 45.100 -0.129 0.000 0.986 359 G HN -0.017 nan 8.290 nan 0.000 0.494 360 V N -4.211 115.663 119.914 -0.066 0.000 3.077 360 V HA 0.633 4.753 4.120 -0.001 0.000 0.299 360 V C -1.808 174.520 176.094 0.389 0.000 1.276 360 V CA -1.547 60.962 62.300 0.349 0.000 0.993 360 V CB 1.489 33.504 31.823 0.320 0.000 1.076 360 V HN 0.764 nan 8.190 nan 0.000 0.434 361 W N 3.073 124.733 121.300 0.600 0.000 2.349 361 W HA 0.826 5.486 4.660 -0.001 0.000 0.309 361 W C -0.290 176.301 176.519 0.121 0.000 1.083 361 W CA -0.422 57.236 57.345 0.522 0.000 1.224 361 W CB 1.699 31.614 29.460 0.759 0.000 1.256 361 W HN 0.545 nan 8.180 nan 0.000 0.461 362 I N 3.881 124.551 120.570 0.167 0.000 2.441 362 I HA 0.543 4.712 4.170 -0.001 0.000 0.295 362 I C 0.736 176.583 176.117 -0.451 0.000 0.994 362 I CA -0.793 60.383 61.300 -0.205 0.000 1.144 362 I CB 1.439 39.312 38.000 -0.211 0.000 1.314 362 I HN 0.439 nan 8.210 nan 0.000 0.445 363 G N 5.088 113.393 108.800 -0.824 0.000 2.371 363 G HA2 0.832 4.791 3.960 -0.001 0.000 0.326 363 G HA3 0.832 4.791 3.960 -0.001 0.000 0.326 363 G C -0.913 173.535 174.900 -0.753 0.000 1.127 363 G CA -0.498 44.067 45.100 -0.892 0.000 0.885 363 G HN 0.813 nan 8.290 nan 0.000 0.477 364 R N -0.556 119.225 120.500 -1.198 0.000 2.753 364 R HA 0.473 4.812 4.340 -0.001 0.000 0.272 364 R C -0.276 175.525 176.300 -0.831 0.000 1.034 364 R CA -0.688 54.961 56.100 -0.753 0.000 0.869 364 R CB 0.059 30.108 30.300 -0.419 0.000 1.264 364 R HN 0.711 nan 8.270 nan 0.000 0.481 365 T N -0.692 113.699 114.554 -0.272 0.000 2.748 365 T HA 0.196 4.546 4.350 -0.001 0.000 0.304 365 T C 0.684 175.321 174.700 -0.105 0.000 1.041 365 T CA -0.381 61.691 62.100 -0.048 0.000 1.033 365 T CB 0.918 69.849 68.868 0.105 0.000 0.995 365 T HN 0.704 nan 8.240 nan 0.000 0.536 366 K N 0.021 120.408 120.400 -0.020 0.000 2.262 366 K HA 0.128 4.447 4.320 -0.001 0.000 0.200 366 K C 1.413 178.010 176.600 -0.004 0.000 1.049 366 K CA 0.100 56.369 56.287 -0.031 0.000 0.979 366 K CB 0.122 32.620 32.500 -0.003 0.000 0.773 366 K HN 0.556 nan 8.250 nan 0.000 0.474 367 S N -0.108 115.608 115.700 0.027 0.000 2.632 367 S HA 0.082 4.552 4.470 -0.001 0.000 0.267 367 S C 0.826 175.456 174.600 0.050 0.000 1.276 367 S CA -0.343 57.881 58.200 0.041 0.000 0.998 367 S CB 1.187 64.426 63.200 0.066 0.000 0.953 367 S HN 0.090 nan 8.310 nan 0.000 0.547 368 T N 2.954 117.540 114.554 0.053 0.000 3.001 368 T HA 0.174 4.524 4.350 -0.001 0.000 0.251 368 T C 1.036 175.778 174.700 0.070 0.000 1.040 368 T CA -0.100 62.034 62.100 0.058 0.000 0.985 368 T CB -0.066 68.833 68.868 0.051 0.000 1.011 368 T HN 0.549 nan 8.240 nan 0.000 0.509 369 N N 1.432 120.180 118.700 0.081 0.000 2.607 369 N HA 0.111 4.850 4.740 -0.001 0.000 0.207 369 N C 1.133 176.728 175.510 0.142 0.000 1.040 369 N CA 0.382 53.490 53.050 0.096 0.000 0.947 369 N CB -0.045 38.488 38.487 0.078 0.000 1.293 369 N HN 0.411 nan 8.380 nan 0.000 0.446 370 S N 0.279 116.079 115.700 0.166 0.000 2.768 370 S HA 0.485 4.955 4.470 -0.001 0.000 0.300 370 S C 0.058 174.822 174.600 0.273 0.000 1.122 370 S CA -0.778 57.568 58.200 0.243 0.000 0.995 370 S CB 1.624 65.023 63.200 0.330 0.000 1.195 370 S HN 0.027 nan 8.310 nan 0.000 0.547 371 R N 1.260 121.975 120.500 0.359 0.000 3.657 371 R HA 0.407 4.746 4.340 -0.001 0.000 0.220 371 R C -0.723 175.849 176.300 0.454 0.000 1.548 371 R CA -0.073 56.248 56.100 0.369 0.000 1.465 371 R CB 0.081 30.591 30.300 0.350 0.000 1.330 371 R HN 0.515 nan 8.270 nan 0.000 0.707 372 S N 0.440 116.319 115.700 0.299 0.000 2.513 372 S HA 0.727 5.197 4.470 -0.001 0.000 0.299 372 S C 0.151 174.840 174.600 0.147 0.000 1.087 372 S CA -0.512 57.791 58.200 0.171 0.000 1.012 372 S CB 2.116 65.295 63.200 -0.035 0.000 1.044 372 S HN 0.767 nan 8.310 nan 0.000 0.485 373 G N 1.141 110.030 108.800 0.148 0.000 2.916 373 G HA2 -0.034 3.926 3.960 -0.001 0.000 0.533 373 G HA3 -0.034 3.926 3.960 -0.001 0.000 0.533 373 G C -1.073 174.008 174.900 0.303 0.000 1.516 373 G CA -0.303 44.900 45.100 0.172 0.000 0.944 373 G HN 0.835 nan 8.290 nan 0.000 0.555 374 F N 0.503 120.512 119.950 0.099 0.000 2.678 374 F HA 0.642 5.169 4.527 -0.001 0.000 0.308 374 F C -0.407 175.427 175.800 0.056 0.000 1.118 374 F CA 0.042 58.095 58.000 0.090 0.000 0.959 374 F CB 1.883 40.978 39.000 0.160 0.000 1.305 374 F HN 1.057 nan 8.300 nan 0.000 0.443 375 E N 4.183 124.159 120.200 -0.373 0.000 2.407 375 E HA 0.461 4.810 4.350 -0.001 0.000 0.279 375 E C -2.003 174.416 176.600 -0.300 0.000 1.012 375 E CA -1.165 55.134 56.400 -0.169 0.000 0.800 375 E CB 2.213 31.828 29.700 -0.143 0.000 1.276 375 E HN 0.380 nan 8.360 nan 0.000 0.452 376 M N 2.550 122.108 119.600 -0.071 0.000 2.114 376 M HA 0.472 4.951 4.480 -0.001 0.000 0.332 376 M C -0.848 175.612 176.300 0.265 0.000 1.014 376 M CA -0.604 54.711 55.300 0.025 0.000 0.956 376 M CB 0.518 33.113 32.600 -0.008 0.000 1.551 376 M HN 0.583 nan 8.290 nan 0.000 0.427 377 I N 2.670 123.298 120.570 0.096 0.000 2.404 377 I HA 0.364 4.534 4.170 -0.001 0.000 0.293 377 I C -0.729 175.321 176.117 -0.111 0.000 0.992 377 I CA -0.539 60.683 61.300 -0.130 0.000 1.149 377 I CB 1.966 39.637 38.000 -0.548 0.000 1.315 377 I HN 0.704 nan 8.210 nan 0.000 0.446 378 W N 7.644 128.623 121.300 -0.535 0.000 2.278 378 W HA 0.301 4.961 4.660 -0.000 0.000 0.317 378 W C -1.190 175.121 176.519 -0.347 0.000 1.030 378 W CA -0.485 56.356 57.345 -0.839 0.000 1.334 378 W CB 1.187 29.840 29.460 -1.345 0.000 1.215 378 W HN 0.472 nan 8.180 nan 0.000 0.405 379 D N 9.585 129.499 120.400 -0.810 0.000 2.454 379 D HA 0.273 4.913 4.640 -0.001 0.000 0.225 379 D C -2.185 173.429 176.300 -1.143 0.000 1.081 379 D CA -1.935 51.644 54.000 -0.702 0.000 0.864 379 D CB 1.889 42.485 40.800 -0.341 0.000 1.040 379 D HN 0.118 nan 8.370 nan 0.000 0.517 380 P HA 0.074 nan 4.420 nan 0.000 0.272 380 P C -0.161 176.875 177.300 -0.439 0.000 1.240 380 P CA -0.288 62.253 63.100 -0.933 0.000 0.791 380 P CB 0.525 31.940 31.700 -0.475 0.000 0.978 381 N N -0.260 118.298 118.700 -0.237 0.000 2.698 381 N HA -0.174 4.566 4.740 -0.001 0.000 0.258 381 N C 0.924 176.365 175.510 -0.115 0.000 0.978 381 N CA 1.272 54.257 53.050 -0.108 0.000 0.777 381 N CB -1.647 36.791 38.487 -0.081 0.000 0.907 381 N HN 0.783 nan 8.380 nan 0.000 0.543 382 G N -1.921 106.805 108.800 -0.123 0.000 3.228 382 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.245 382 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.245 382 G C 0.821 175.725 174.900 0.008 0.000 1.051 382 G CA -0.154 44.883 45.100 -0.104 0.000 0.809 382 G HN 0.496 nan 8.290 nan 0.000 0.531 383 W N 2.283 123.522 121.300 -0.102 0.000 2.812 383 W HA 0.073 4.733 4.660 -0.001 0.000 0.263 383 W C 1.191 177.696 176.519 -0.023 0.000 1.284 383 W CA 1.535 58.837 57.345 -0.071 0.000 1.430 383 W CB 0.452 29.854 29.460 -0.097 0.000 1.088 383 W HN 0.205 nan 8.180 nan 0.000 0.623 384 T N -2.574 112.088 114.554 0.180 0.000 3.016 384 T HA 0.181 4.530 4.350 -0.001 0.000 0.271 384 T C 0.103 174.838 174.700 0.059 0.000 0.968 384 T CA -0.084 62.100 62.100 0.140 0.000 0.891 384 T CB 0.620 69.599 68.868 0.186 0.000 1.149 384 T HN -0.252 nan 8.240 nan 0.000 0.524 385 E N 2.071 122.283 120.200 0.019 0.000 2.212 385 E HA 0.488 4.837 4.350 -0.001 0.000 0.270 385 E C -0.910 175.667 176.600 -0.037 0.000 0.956 385 E CA -0.456 55.937 56.400 -0.011 0.000 0.825 385 E CB 1.778 31.460 29.700 -0.030 0.000 1.167 385 E HN 0.074 nan 8.360 nan 0.000 0.400 386 T N 2.624 117.157 114.554 -0.036 0.000 2.853 386 T HA 0.469 4.819 4.350 -0.001 0.000 0.317 386 T C -0.885 173.777 174.700 -0.062 0.000 1.059 386 T CA -0.735 61.338 62.100 -0.045 0.000 0.954 386 T CB -0.064 68.790 68.868 -0.023 0.000 0.994 386 T HN 0.520 nan 8.240 nan 0.000 0.479 387 D N 0.463 120.805 120.400 -0.096 0.000 2.785 387 D HA 0.077 4.717 4.640 -0.001 0.000 0.239 387 D C 0.386 176.603 176.300 -0.138 0.000 1.142 387 D CA -0.803 53.135 54.000 -0.103 0.000 0.734 387 D CB 0.083 40.830 40.800 -0.088 0.000 1.820 387 D HN 0.195 nan 8.370 nan 0.000 0.461 388 S N 0.034 115.649 115.700 -0.140 0.000 2.701 388 S HA 0.226 4.696 4.470 -0.001 0.000 0.220 388 S C 0.476 175.028 174.600 -0.081 0.000 0.954 388 S CA -0.041 58.079 58.200 -0.133 0.000 0.936 388 S CB -0.802 62.319 63.200 -0.132 0.000 0.777 388 S HN 0.830 nan 8.310 nan 0.000 0.518 389 S N 1.693 117.315 115.700 -0.129 0.000 2.457 389 S HA 0.723 5.192 4.470 -0.001 0.000 0.289 389 S C -0.389 174.106 174.600 -0.176 0.000 1.163 389 S CA -0.966 57.097 58.200 -0.228 0.000 1.078 389 S CB 0.095 63.170 63.200 -0.208 0.000 0.987 389 S HN 0.493 nan 8.310 nan 0.000 0.482 390 F N 0.212 120.059 119.950 -0.172 0.000 2.664 390 F HA 0.825 5.352 4.527 -0.001 0.000 0.329 390 F C 0.732 176.435 175.800 -0.162 0.000 1.090 390 F CA -1.256 56.612 58.000 -0.221 0.000 0.978 390 F CB 0.797 39.666 39.000 -0.219 0.000 1.378 390 F HN 0.415 nan 8.300 nan 0.000 0.495 391 S N -0.053 115.713 115.700 0.110 0.000 2.346 391 S HA 0.310 4.780 4.470 -0.001 0.000 0.204 391 S C 0.490 175.260 174.600 0.283 0.000 1.008 391 S CA 0.473 58.743 58.200 0.117 0.000 0.925 391 S CB 0.114 63.396 63.200 0.137 0.000 0.903 391 S HN 0.388 nan 8.310 nan 0.000 0.537 395 Q N 4.238 124.204 119.800 0.278 0.000 2.339 395 Q HA 0.223 4.563 4.340 -0.001 0.000 0.268 395 Q C -1.013 175.127 176.000 0.234 0.000 1.027 395 Q CA -0.742 55.241 55.803 0.300 0.000 0.759 395 Q CB 1.185 30.180 28.738 0.428 0.000 1.244 395 Q HN 0.515 nan 8.270 nan 0.000 0.464 396 D N 3.706 124.236 120.400 0.217 0.000 2.382 396 D HA 0.084 4.723 4.640 -0.001 0.000 0.240 396 D C 0.406 176.883 176.300 0.295 0.000 1.146 396 D CA 0.229 54.349 54.000 0.201 0.000 0.897 396 D CB 1.355 42.254 40.800 0.164 0.000 1.197 396 D HN 0.555 nan 8.370 nan 0.000 0.432 397 I N 0.223 120.985 120.570 0.320 0.000 4.770 397 I HA 0.018 4.187 4.170 -0.001 0.000 0.327 397 I C -0.365 176.046 176.117 0.490 0.000 1.271 397 I CA 0.386 61.971 61.300 0.475 0.000 1.320 397 I CB 1.052 39.290 38.000 0.397 0.000 1.319 397 I HN 0.110 nan 8.210 nan 0.000 0.462 398 V N 1.105 121.219 119.914 0.333 0.000 2.737 398 V HA 0.670 4.789 4.120 -0.001 0.000 0.298 398 V C -0.229 175.941 176.094 0.126 0.000 1.163 398 V CA -1.217 61.227 62.300 0.240 0.000 0.925 398 V CB 1.553 33.566 31.823 0.315 0.000 1.037 398 V HN 0.119 nan 8.190 nan 0.000 0.433 399 A N 4.486 127.320 122.820 0.023 0.000 2.520 399 A HA 0.425 4.745 4.320 -0.001 0.000 0.235 399 A C 1.237 178.811 177.584 -0.018 0.000 1.065 399 A CA 0.131 52.158 52.037 -0.016 0.000 0.764 399 A CB 0.015 18.969 19.000 -0.076 0.000 1.002 399 A HN 0.903 nan 8.150 nan 0.000 0.502 400 I N 1.181 121.734 120.570 -0.028 0.000 2.530 400 I HA -0.219 3.951 4.170 -0.001 0.000 0.257 400 I C 2.201 178.239 176.117 -0.131 0.000 1.179 400 I CA 1.767 63.037 61.300 -0.051 0.000 1.440 400 I CB -0.932 37.043 38.000 -0.041 0.000 1.087 400 I HN 0.803 nan 8.210 nan 0.000 0.440 401 T N -3.045 111.424 114.554 -0.141 0.000 3.160 401 T HA 0.076 4.426 4.350 -0.001 0.000 0.257 401 T C 0.508 175.024 174.700 -0.307 0.000 1.147 401 T CA 0.131 62.106 62.100 -0.209 0.000 1.064 401 T CB -0.298 68.485 68.868 -0.141 0.000 0.949 401 T HN 0.217 nan 8.240 nan 0.000 0.526 402 D N 0.189 120.441 120.400 -0.247 0.000 2.481 402 D HA 0.270 4.909 4.640 -0.001 0.000 0.244 402 D C -0.779 175.426 176.300 -0.159 0.000 1.057 402 D CA -0.675 53.186 54.000 -0.232 0.000 0.848 402 D CB 1.383 42.147 40.800 -0.060 0.000 1.388 402 D HN 0.365 nan 8.370 nan 0.000 0.475 403 W N 1.400 122.751 121.300 0.085 0.000 2.158 403 W HA 0.140 4.799 4.660 -0.001 0.000 0.339 403 W C 1.419 178.024 176.519 0.143 0.000 1.294 403 W CA -0.158 57.248 57.345 0.103 0.000 1.231 403 W CB 0.616 30.121 29.460 0.076 0.000 1.143 403 W HN 0.324 nan 8.180 nan 0.000 0.571 404 S N 1.332 117.314 115.700 0.471 0.000 4.353 404 S HA 0.972 5.441 4.470 -0.001 0.000 0.229 404 S C 0.219 175.038 174.600 0.365 0.000 1.098 404 S CA -0.175 58.254 58.200 0.381 0.000 1.695 404 S CB 1.340 64.788 63.200 0.413 0.000 1.097 404 S HN 1.030 nan 8.310 nan 0.000 0.745 405 G N -0.403 108.628 108.800 0.385 0.000 2.439 405 G HA2 0.282 4.241 3.960 -0.001 0.000 0.186 405 G HA3 0.282 4.241 3.960 -0.001 0.000 0.186 405 G C -1.662 173.539 174.900 0.503 0.000 1.260 405 G CA -0.721 44.622 45.100 0.405 0.000 1.020 405 G HN 0.570 nan 8.290 nan 0.000 0.470 406 Y N 1.630 122.118 120.300 0.312 0.000 2.607 406 Y HA 0.442 4.992 4.550 -0.001 0.000 0.348 406 Y C 1.267 177.377 175.900 0.351 0.000 1.261 406 Y CA 0.141 58.463 58.100 0.369 0.000 1.480 406 Y CB 0.913 39.678 38.460 0.507 0.000 1.358 406 Y HN 0.923 nan 8.280 nan 0.000 0.630 407 S N 0.284 116.058 115.700 0.122 0.000 2.543 407 S HA 0.841 5.311 4.470 -0.001 0.000 0.271 407 S C -0.642 173.372 174.600 -0.977 0.000 1.148 407 S CA -0.437 57.502 58.200 -0.435 0.000 0.914 407 S CB 1.629 64.826 63.200 -0.005 0.000 1.096 407 S HN 1.003 nan 8.310 nan 0.000 0.471 408 G N 0.853 108.250 108.800 -2.338 0.000 2.619 408 G HA2 0.689 4.649 3.960 -0.001 0.000 0.296 408 G HA3 0.689 4.649 3.960 -0.001 0.000 0.296 408 G C -0.628 173.485 174.900 -1.311 0.000 1.334 408 G CA -0.503 43.721 45.100 -1.461 0.000 0.934 408 G HN 1.368 nan 8.290 nan 0.000 0.476 409 S N -0.739 114.596 115.700 -0.608 0.000 2.616 409 S HA 0.855 5.325 4.470 -0.001 0.000 0.277 409 S C -0.541 174.258 174.600 0.331 0.000 1.234 409 S CA -0.566 57.442 58.200 -0.320 0.000 1.028 409 S CB 1.018 64.072 63.200 -0.243 0.000 0.988 409 S HN 1.531 nan 8.310 nan 0.000 0.522 410 F N -0.061 120.044 119.950 0.257 0.000 2.631 410 F HA 0.832 5.359 4.527 -0.001 0.000 0.308 410 F C -0.996 174.976 175.800 0.286 0.000 1.097 410 F CA -1.179 57.023 58.000 0.337 0.000 0.952 410 F CB 0.479 39.730 39.000 0.418 0.000 1.307 410 F HN 0.465 nan 8.300 nan 0.000 0.450 411 V N 1.726 121.851 119.914 0.351 0.000 6.168 411 V HA 0.562 4.682 4.120 -0.001 0.000 0.275 411 V C 0.578 176.755 176.094 0.137 0.000 1.598 411 V CA 0.071 62.456 62.300 0.141 0.000 0.646 411 V CB 0.973 32.918 31.823 0.203 0.000 1.463 411 V HN 1.339 nan 8.190 nan 0.000 0.394 412 L N -1.365 119.901 121.223 0.072 0.000 2.198 412 L HA -0.245 4.095 4.340 -0.001 0.000 0.476 412 L C 1.326 178.215 176.870 0.031 0.000 0.710 412 L CA 2.686 57.558 54.840 0.053 0.000 3.209 412 L CB -1.874 40.221 42.059 0.061 0.000 0.666 412 L HN 0.681 nan 8.230 nan 0.000 0.766 413 T N -0.535 114.033 114.554 0.023 0.000 3.009 413 T HA 0.454 4.803 4.350 -0.001 0.000 0.258 413 T C 1.541 176.242 174.700 0.003 0.000 1.063 413 T CA 1.491 63.594 62.100 0.005 0.000 1.139 413 T CB 0.049 68.909 68.868 -0.014 0.000 0.890 413 T HN 1.477 nan 8.240 nan 0.000 0.471 414 G N 0.627 109.431 108.800 0.007 0.000 2.194 414 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.236 414 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.236 414 G C 0.004 174.902 174.900 -0.003 0.000 0.987 414 G CA -0.226 44.877 45.100 0.005 0.000 0.635 414 G HN 0.340 nan 8.290 nan 0.000 0.520 415 L N 1.549 122.766 121.223 -0.010 0.000 2.479 415 L HA 0.503 4.842 4.340 -0.001 0.000 0.248 415 L C 1.250 178.112 176.870 -0.013 0.000 1.205 415 L CA 0.606 55.435 54.840 -0.019 0.000 0.817 415 L CB 0.630 42.669 42.059 -0.033 0.000 1.162 415 L HN 0.348 nan 8.230 nan 0.000 0.486 416 D N -1.555 118.835 120.400 -0.017 0.000 2.501 416 D HA 0.183 4.823 4.640 -0.001 0.000 0.226 416 D C -0.324 175.967 176.300 -0.017 0.000 1.198 416 D CA -0.343 53.650 54.000 -0.013 0.000 0.830 416 D CB -0.230 40.563 40.800 -0.012 0.000 1.014 416 D HN 0.437 nan 8.370 nan 0.000 0.496 417 c N -1.531 117.055 118.600 -0.023 0.000 3.239 417 c HA 0.702 5.272 4.570 -0.001 0.000 0.317 417 c C -0.299 173.769 174.090 -0.035 0.000 1.310 417 c CA -1.365 54.946 56.329 -0.030 0.000 1.371 417 c CB 0.338 42.824 42.510 -0.039 0.000 1.714 417 c HN 0.159 nan 8.230 nan 0.000 0.473 418 I N 2.597 123.145 120.570 -0.037 0.000 2.337 418 I HA 0.343 4.512 4.170 -0.001 0.000 0.291 418 I C 0.787 176.846 176.117 -0.095 0.000 1.046 418 I CA 0.145 61.423 61.300 -0.037 0.000 1.324 418 I CB 0.507 38.506 38.000 -0.003 0.000 1.409 418 I HN 0.741 nan 8.210 nan 0.000 0.494 419 R N 9.725 130.156 120.500 -0.116 0.000 2.308 419 R HA 0.398 4.737 4.340 -0.001 0.000 0.305 419 R C -2.554 173.577 176.300 -0.281 0.000 1.053 419 R CA -1.423 54.560 56.100 -0.194 0.000 0.957 419 R CB 0.985 31.175 30.300 -0.182 0.000 1.022 419 R HN 0.264 nan 8.270 nan 0.000 0.461 420 P HA 0.214 nan 4.420 nan 0.000 0.293 420 P C -0.911 176.213 177.300 -0.293 0.000 1.300 420 P CA -0.429 62.282 63.100 -0.648 0.000 0.792 420 P CB 1.121 32.006 31.700 -1.358 0.000 0.925 421 c N 4.119 122.541 118.600 -0.296 0.000 3.044 421 c HA 0.856 5.425 4.570 -0.001 0.000 0.315 421 c C -0.289 173.655 174.090 -0.243 0.000 1.320 421 c CA -0.388 55.671 56.329 -0.450 0.000 1.582 421 c CB 1.283 42.862 42.510 -1.550 0.000 2.039 421 c HN 0.713 nan 8.230 nan 0.000 0.466 422 F N -0.295 119.536 119.950 -0.199 0.000 2.668 422 F HA 0.854 5.380 4.527 -0.001 0.000 0.309 422 F C -1.257 174.717 175.800 0.290 0.000 1.117 422 F CA -1.219 56.665 58.000 -0.194 0.000 0.951 422 F CB 0.837 39.301 39.000 -0.893 0.000 1.323 422 F HN 0.842 nan 8.300 nan 0.000 0.451 423 W N 1.328 122.820 121.300 0.321 0.000 2.820 423 W HA 0.891 5.551 4.660 -0.001 0.000 0.350 423 W C -2.206 174.438 176.519 0.209 0.000 1.116 423 W CA -1.594 55.871 57.345 0.201 0.000 1.146 423 W CB 1.057 30.605 29.460 0.146 0.000 1.433 423 W HN 0.545 nan 8.180 nan 0.000 0.561 424 V N 0.999 121.274 119.914 0.602 0.000 2.686 424 V HA 0.211 4.331 4.120 -0.001 0.000 0.306 424 V C -0.499 175.884 176.094 0.482 0.000 1.065 424 V CA -0.825 61.702 62.300 0.378 0.000 0.894 424 V CB 1.752 33.585 31.823 0.017 0.000 1.004 424 V HN 0.630 nan 8.190 nan 0.000 0.424 425 E N 4.601 125.118 120.200 0.529 0.000 2.174 425 E HA 0.512 4.862 4.350 -0.001 0.000 0.282 425 E C -1.361 175.404 176.600 0.275 0.000 0.992 425 E CA -0.614 56.003 56.400 0.360 0.000 0.803 425 E CB 1.224 31.164 29.700 0.400 0.000 1.090 425 E HN 0.668 nan 8.360 nan 0.000 0.396 426 L N 6.817 128.165 121.223 0.209 0.000 2.272 426 L HA 0.388 4.728 4.340 -0.001 0.000 0.284 426 L C -0.046 176.923 176.870 0.165 0.000 1.045 426 L CA -0.605 54.365 54.840 0.216 0.000 0.842 426 L CB 0.445 42.629 42.059 0.209 0.000 1.224 426 L HN 0.526 nan 8.230 nan 0.000 0.430 427 I N 4.137 124.798 120.570 0.151 0.000 2.471 427 I HA 0.241 4.410 4.170 -0.001 0.000 0.286 427 I C 0.231 176.316 176.117 -0.053 0.000 1.079 427 I CA -0.116 61.207 61.300 0.040 0.000 1.398 427 I CB 0.346 38.342 38.000 -0.007 0.000 1.403 427 I HN 0.487 nan 8.210 nan 0.000 0.530 428 R N 4.534 124.987 120.500 -0.079 0.000 2.621 428 R HA 0.799 5.139 4.340 -0.001 0.000 0.292 428 R C 0.056 176.098 176.300 -0.430 0.000 0.969 428 R CA -0.604 55.373 56.100 -0.205 0.000 0.887 428 R CB 1.629 31.922 30.300 -0.013 0.000 1.180 428 R HN 0.930 nan 8.270 nan 0.000 0.450 429 G N 1.891 110.291 108.800 -0.667 0.000 2.337 429 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.197 429 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.197 429 G C -1.015 173.536 174.900 -0.581 0.000 1.238 429 G CA -0.979 43.595 45.100 -0.878 0.000 1.119 429 G HN 0.462 nan 8.290 nan 0.000 0.514 430 R N 1.438 121.657 120.500 -0.468 0.000 2.694 430 R HA 0.365 4.705 4.340 -0.001 0.000 0.268 430 R C -1.123 175.022 176.300 -0.258 0.000 1.061 430 R CA -0.418 55.497 56.100 -0.309 0.000 1.133 430 R CB 0.736 30.906 30.300 -0.217 0.000 1.020 430 R HN 0.419 nan 8.270 nan 0.000 0.475 431 P HA 0.022 nan 4.420 nan 0.000 0.257 431 P C 0.019 177.193 177.300 -0.211 0.000 1.241 431 P CA 0.579 63.570 63.100 -0.182 0.000 0.816 431 P CB 0.554 32.184 31.700 -0.118 0.000 1.150 432 K N 0.431 120.634 120.400 -0.329 0.000 2.296 432 K HA 0.089 4.408 4.320 -0.001 0.000 0.200 432 K C 0.943 177.380 176.600 -0.272 0.000 1.048 432 K CA 0.753 56.825 56.287 -0.357 0.000 0.966 432 K CB 0.351 32.360 32.500 -0.818 0.000 0.754 432 K HN 0.435 nan 8.250 nan 0.000 0.466 436 T N -0.491 113.896 114.554 -0.278 0.000 2.838 436 T HA 0.707 5.057 4.350 -0.001 0.000 0.292 436 T C 1.100 175.643 174.700 -0.261 0.000 1.113 436 T CA -0.612 61.279 62.100 -0.348 0.000 1.008 436 T CB 1.020 69.336 68.868 -0.920 0.000 1.259 436 T HN 1.029 nan 8.240 nan 0.000 0.520 437 I N -2.205 118.303 120.570 -0.103 0.000 3.728 437 I HA 0.406 4.575 4.170 -0.001 0.000 0.307 437 I C 0.310 176.470 176.117 0.072 0.000 1.276 437 I CA -0.710 60.605 61.300 0.025 0.000 1.285 437 I CB -0.025 38.056 38.000 0.134 0.000 1.038 437 I HN 0.614 nan 8.210 nan 0.000 0.445 438 W N 1.203 122.471 121.300 -0.054 0.000 2.894 438 W HA 0.726 5.386 4.660 -0.001 0.000 0.345 438 W C -1.276 175.185 176.519 -0.097 0.000 1.152 438 W CA -1.101 56.206 57.345 -0.064 0.000 1.089 438 W CB 0.477 29.898 29.460 -0.064 0.000 1.454 438 W HN -0.317 nan 8.180 nan 0.000 0.589 439 T N 1.567 116.258 114.554 0.227 0.000 2.991 439 T HA 0.456 4.805 4.350 -0.001 0.000 0.303 439 T C -1.131 173.723 174.700 0.256 0.000 1.015 439 T CA -0.240 61.903 62.100 0.071 0.000 1.007 439 T CB 1.936 70.791 68.868 -0.022 0.000 1.034 439 T HN 0.559 nan 8.240 nan 0.000 0.446 440 S N 1.151 117.006 115.700 0.258 0.000 2.688 440 S HA 0.918 5.387 4.470 -0.001 0.000 0.275 440 S C -1.006 173.658 174.600 0.107 0.000 1.175 440 S CA -0.348 57.965 58.200 0.189 0.000 0.818 440 S CB 1.673 64.994 63.200 0.202 0.000 1.157 440 S HN 1.094 nan 8.310 nan 0.000 0.482 441 G N 0.418 109.247 108.800 0.049 0.000 2.672 441 G HA2 0.666 4.625 3.960 -0.001 0.000 0.292 441 G HA3 0.666 4.625 3.960 -0.001 0.000 0.292 441 G C -1.357 173.548 174.900 0.009 0.000 1.375 441 G CA -0.349 44.774 45.100 0.038 0.000 0.890 441 G HN 0.695 nan 8.290 nan 0.000 0.476 442 S N -1.201 114.524 115.700 0.042 0.000 2.715 442 S HA 0.892 5.362 4.470 -0.001 0.000 0.307 442 S C -0.151 174.475 174.600 0.043 0.000 1.119 442 S CA -0.405 57.809 58.200 0.024 0.000 0.937 442 S CB 1.766 65.005 63.200 0.065 0.000 1.150 442 S HN 1.381 nan 8.310 nan 0.000 0.521 443 S N 0.435 116.146 115.700 0.019 0.000 2.588 443 S HA 0.857 5.327 4.470 -0.001 0.000 0.275 443 S C -1.060 173.566 174.600 0.042 0.000 1.130 443 S CA -0.904 57.327 58.200 0.051 0.000 0.855 443 S CB 1.077 64.263 63.200 -0.024 0.000 1.116 443 S HN 0.820 nan 8.310 nan 0.000 0.472 444 I N -1.036 119.587 120.570 0.089 0.000 2.752 444 I HA 0.833 5.002 4.170 -0.001 0.000 0.295 444 I C -0.887 175.239 176.117 0.015 0.000 1.219 444 I CA -0.840 60.451 61.300 -0.015 0.000 1.030 444 I CB 2.180 40.222 38.000 0.069 0.000 1.259 444 I HN 0.861 nan 8.210 nan 0.000 0.423 445 S N 3.178 118.751 115.700 -0.212 0.000 2.595 445 S HA 0.878 5.348 4.470 -0.001 0.000 0.281 445 S C -1.230 173.094 174.600 -0.461 0.000 1.117 445 S CA -0.592 57.572 58.200 -0.059 0.000 0.873 445 S CB 2.050 65.433 63.200 0.304 0.000 1.108 445 S HN 0.571 nan 8.310 nan 0.000 0.477 446 F N -0.792 118.928 119.950 -0.384 0.000 2.643 446 F HA 0.760 5.287 4.527 -0.001 0.000 0.314 446 F C -0.271 175.421 175.800 -0.180 0.000 1.096 446 F CA -0.999 56.834 58.000 -0.278 0.000 0.953 446 F CB 1.726 40.501 39.000 -0.375 0.000 1.345 446 F HN 0.804 nan 8.300 nan 0.000 0.468 447 c N 0.753 119.429 118.600 0.127 0.000 2.712 447 c HA 0.655 5.224 4.570 -0.001 0.000 0.308 447 c C 1.413 175.487 174.090 -0.027 0.000 1.201 447 c CA -0.355 55.955 56.329 -0.033 0.000 1.554 447 c CB 1.128 43.455 42.510 -0.304 0.000 2.117 447 c HN 1.115 nan 8.230 nan 0.000 0.480 448 G N 1.519 110.184 108.800 -0.226 0.000 3.847 448 G HA2 0.030 3.990 3.960 -0.001 0.000 0.224 448 G HA3 0.030 3.990 3.960 -0.001 0.000 0.224 448 G C 0.301 174.896 174.900 -0.507 0.000 0.934 448 G CA 1.741 46.473 45.100 -0.614 0.000 0.728 448 G HN 1.589 nan 8.290 nan 0.000 1.367 449 V N -1.072 118.625 119.914 -0.362 0.000 3.417 449 V HA -0.170 3.950 4.120 -0.001 0.000 0.490 449 V C 0.744 176.680 176.094 -0.264 0.000 0.682 449 V CA 0.290 62.437 62.300 -0.255 0.000 2.037 449 V CB -0.493 31.225 31.823 -0.174 0.000 2.479 449 V HN 0.829 nan 8.190 nan 0.000 0.504 450 N N 0.510 119.101 118.700 -0.181 0.000 2.439 450 N HA 0.033 4.773 4.740 -0.001 0.000 0.176 450 N C 0.983 176.427 175.510 -0.110 0.000 1.029 450 N CA 1.003 53.960 53.050 -0.155 0.000 0.886 450 N CB 0.261 38.675 38.487 -0.120 0.000 1.057 450 N HN 0.974 nan 8.380 nan 0.000 0.437 451 S N 0.761 116.411 115.700 -0.083 0.000 2.611 451 S HA 0.033 4.503 4.470 -0.001 0.000 0.252 451 S C 0.118 174.695 174.600 -0.038 0.000 1.369 451 S CA -0.409 57.762 58.200 -0.049 0.000 0.975 451 S CB 0.645 63.826 63.200 -0.032 0.000 0.937 451 S HN 0.099 nan 8.310 nan 0.000 0.584 452 D N -0.074 120.321 120.400 -0.009 0.000 2.312 452 D HA 0.580 5.220 4.640 -0.001 0.000 0.248 452 D C 0.468 176.795 176.300 0.044 0.000 1.086 452 D CA 0.025 54.033 54.000 0.014 0.000 0.948 452 D CB 1.127 41.942 40.800 0.025 0.000 1.162 452 D HN 0.775 nan 8.370 nan 0.000 0.446 453 T N -1.991 112.610 114.554 0.079 0.000 2.724 453 T HA 0.752 5.101 4.350 -0.001 0.000 0.274 453 T C -0.364 174.439 174.700 0.172 0.000 0.984 453 T CA -0.645 61.541 62.100 0.143 0.000 1.024 453 T CB 0.830 69.801 68.868 0.172 0.000 1.320 453 T HN 0.471 nan 8.240 nan 0.000 0.555 454 V N -2.876 117.189 119.914 0.251 0.000 3.048 454 V HA 0.901 5.021 4.120 -0.001 0.000 0.303 454 V C -0.105 176.197 176.094 0.346 0.000 1.214 454 V CA -0.737 61.704 62.300 0.235 0.000 0.984 454 V CB 1.345 33.256 31.823 0.147 0.000 1.054 454 V HN 1.419 nan 8.190 nan 0.000 0.430 455 G N 1.419 110.389 108.800 0.284 0.000 2.356 455 G HA2 0.615 4.575 3.960 -0.001 0.000 0.298 455 G HA3 0.615 4.575 3.960 -0.001 0.000 0.298 455 G C -1.339 173.740 174.900 0.299 0.000 1.145 455 G CA -0.231 45.063 45.100 0.323 0.000 0.850 455 G HN 1.077 nan 8.290 nan 0.000 0.487 456 W N 0.416 121.675 121.300 -0.070 0.000 3.440 456 W HA 0.690 5.350 4.660 -0.001 0.000 0.407 456 W C -0.784 175.524 176.519 -0.351 0.000 1.078 456 W CA -0.793 56.323 57.345 -0.381 0.000 1.240 456 W CB 1.273 30.213 29.460 -0.867 0.000 1.485 456 W HN 0.633 nan 8.180 nan 0.000 0.633 457 S N 1.206 116.420 115.700 -0.809 0.000 2.672 457 S HA 0.510 4.980 4.470 -0.001 0.000 0.291 457 S C -1.709 172.484 174.600 -0.679 0.000 1.145 457 S CA -0.441 57.441 58.200 -0.530 0.000 1.013 457 S CB 0.320 63.238 63.200 -0.469 0.000 1.017 457 S HN 0.327 nan 8.310 nan 0.000 0.487 458 W N 6.627 127.945 121.300 0.031 0.000 1.986 458 W HA 0.287 4.947 4.660 -0.001 0.000 0.287 458 W C -2.589 173.975 176.519 0.075 0.000 0.866 458 W CA -1.724 55.658 57.345 0.062 0.000 2.056 458 W CB 0.764 30.364 29.460 0.233 0.000 2.290 458 W HN 0.525 nan 8.180 nan 0.000 0.396 459 P HA -0.012 nan 4.420 nan 0.000 0.274 459 P C 0.741 178.138 177.300 0.162 0.000 1.260 459 P CA 0.295 63.483 63.100 0.146 0.000 0.793 459 P CB 1.695 33.426 31.700 0.052 0.000 1.048 460 D N 0.171 120.673 120.400 0.170 0.000 2.103 460 D HA -0.141 4.499 4.640 -0.001 0.000 0.190 460 D C 1.453 177.836 176.300 0.139 0.000 0.997 460 D CA 2.983 57.080 54.000 0.161 0.000 0.833 460 D CB -0.700 40.210 40.800 0.183 0.000 0.961 460 D HN 0.686 nan 8.370 nan 0.000 0.447 461 G N -0.882 107.998 108.800 0.133 0.000 2.194 461 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.236 461 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.236 461 G C 0.368 175.354 174.900 0.143 0.000 0.987 461 G CA 0.438 45.607 45.100 0.115 0.000 0.635 461 G HN 0.782 nan 8.290 nan 0.000 0.520 462 A N 0.446 123.378 122.820 0.188 0.000 2.351 462 A HA 0.653 4.973 4.320 -0.001 0.000 0.257 462 A C 0.427 178.169 177.584 0.263 0.000 1.087 462 A CA 0.565 52.760 52.037 0.263 0.000 0.798 462 A CB 0.312 19.511 19.000 0.333 0.000 1.033 462 A HN 1.166 nan 8.150 nan 0.000 0.488 463 E N 2.539 122.923 120.200 0.307 0.000 2.129 463 E HA 0.584 4.934 4.350 -0.001 0.000 0.268 463 E C -1.215 175.600 176.600 0.357 0.000 0.900 463 E CA -0.596 55.956 56.400 0.254 0.000 0.755 463 E CB 0.852 30.653 29.700 0.169 0.000 1.117 463 E HN 0.528 nan 8.360 nan 0.000 0.410 464 L N 3.566 124.954 121.223 0.276 0.000 2.387 464 L HA 0.561 4.901 4.340 -0.001 0.000 0.266 464 L C -1.394 175.594 176.870 0.196 0.000 1.059 464 L CA -2.132 52.872 54.840 0.274 0.000 0.801 464 L CB 0.489 42.604 42.059 0.092 0.000 1.223 464 L HN 0.648 nan 8.230 nan 0.000 0.456 465 P HA 0.331 nan 4.420 nan 0.000 0.289 465 P C -1.088 176.523 177.300 0.518 0.000 1.299 465 P CA -0.331 62.925 63.100 0.259 0.000 0.766 465 P CB 0.767 32.562 31.700 0.157 0.000 1.226 466 F N -1.217 118.895 119.950 0.270 0.000 2.461 466 F HA 0.210 4.736 4.527 -0.001 0.000 0.332 466 F C 1.991 177.875 175.800 0.141 0.000 1.073 466 F CA -1.000 57.131 58.000 0.218 0.000 1.017 466 F CB -0.153 39.005 39.000 0.262 0.000 1.301 466 F HN 0.193 nan 8.300 nan 0.000 0.492 467 T N 1.894 116.546 114.554 0.163 0.000 3.026 467 T HA -0.052 4.298 4.350 -0.001 0.000 0.271 467 T C 0.812 175.593 174.700 0.135 0.000 1.149 467 T CA 0.904 63.054 62.100 0.083 0.000 1.088 467 T CB -0.924 67.941 68.868 -0.006 0.000 0.857 467 T HN 0.372 nan 8.240 nan 0.000 0.551 468 I N 0.000 120.718 120.570 0.247 0.000 2.984 468 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 468 I CA 0.000 61.451 61.300 0.251 0.000 1.566 468 I CB 0.000 38.109 38.000 0.181 0.000 1.214 468 I HN 0.000 nan 8.210 nan 0.000 0.494