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 1rzk_1_G DATA FIRST_RESID 86 DATA SEQUENCE LENVTENFNM WKNNMVEQMH EDIISLWDQS LKPcVKLTPL cVGAXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXGS cNTSVITQAc PKVSFEPIPI HYcAPAGFAI LKcNDKKFNG DATA SEQUENCE TGPcTNVSTV QcTHGIRPVV STQLLLNGSL AEEEIVIRSE NFTNNAKTII DATA SEQUENCE VQLNESVVIN cTGAXXXXXX XXXXXXXXXX XXXXXXXXXX XXXGHcNLSK DATA SEQUENCE TQWENTLEQI AIKLKEQFGN NKTIIFNPSS GGDPEIVTHS FNcGGEFFYc DATA SEQUENCE NSTQLFTWND TRKXXXXXXX XLNNTGRNIT LPcRIKQIIN MWQEVGKAMY DATA SEQUENCE APPIRGQIRc SSNITGLLLT RDGGKDTNGT EIFRPGGGDM RDNWRSELYK DATA SEQUENCE YKVVKIE 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 86 L HA 0.000 nan 4.340 nan 0.000 0.249 86 L C 0.000 176.856 176.870 -0.024 0.000 1.165 86 L CA 0.000 54.819 54.840 -0.035 0.000 0.813 86 L CB 0.000 42.030 42.059 -0.048 0.000 0.961 87 E N 1.112 121.299 120.200 -0.022 0.000 2.200 87 E HA 0.241 4.591 4.350 0.001 0.000 0.283 87 E C -0.498 176.096 176.600 -0.011 0.000 1.015 87 E CA -0.599 55.796 56.400 -0.008 0.000 0.819 87 E CB 0.991 30.695 29.700 0.007 0.000 1.081 87 E HN 0.464 nan 8.360 nan 0.000 0.397 88 N N 3.341 122.037 118.700 -0.007 0.000 3.103 88 N HA 0.131 4.872 4.740 0.001 0.000 0.305 88 N C -1.231 174.279 175.510 -0.001 0.000 1.232 88 N CA 0.140 53.186 53.050 -0.007 0.000 1.190 88 N CB 0.552 39.035 38.487 -0.006 0.000 1.461 88 N HN 0.198 nan 8.380 nan 0.000 0.538 89 V N -0.504 119.412 119.914 0.003 0.000 3.242 89 V HA 0.488 4.608 4.120 0.001 0.000 0.298 89 V C -1.095 175.012 176.094 0.022 0.000 1.352 89 V CA -0.753 61.556 62.300 0.014 0.000 1.052 89 V CB 2.372 34.208 31.823 0.022 0.000 1.101 89 V HN 0.180 nan 8.190 nan 0.000 0.446 90 T N 3.171 117.746 114.554 0.033 0.000 2.791 90 T HA 0.643 4.993 4.350 0.001 0.000 0.288 90 T C -0.751 174.000 174.700 0.086 0.000 0.999 90 T CA -0.266 61.864 62.100 0.049 0.000 0.952 90 T CB 0.559 69.449 68.868 0.037 0.000 0.938 90 T HN 0.769 nan 8.240 nan 0.000 0.444 91 E N 3.671 123.960 120.200 0.149 0.000 2.378 91 E HA 0.382 4.732 4.350 0.001 0.000 0.265 91 E C -0.553 176.234 176.600 0.311 0.000 0.932 91 E CA -1.014 55.504 56.400 0.197 0.000 0.795 91 E CB 2.005 31.827 29.700 0.204 0.000 1.296 91 E HN 0.654 nan 8.360 nan 0.000 0.438 92 N N 0.395 119.235 118.700 0.234 0.000 2.487 92 N HA 0.435 5.176 4.740 0.001 0.000 0.292 92 N C -1.368 174.328 175.510 0.311 0.000 1.108 92 N CA -0.216 53.005 53.050 0.285 0.000 0.956 92 N CB 0.777 39.353 38.487 0.149 0.000 1.176 92 N HN 0.126 nan 8.380 nan 0.000 0.484 93 F N 0.706 120.766 119.950 0.184 0.000 2.588 93 F HA 0.375 4.903 4.527 0.001 0.000 0.310 93 F C -0.118 175.781 175.800 0.164 0.000 1.082 93 F CA -0.873 57.249 58.000 0.203 0.000 0.929 93 F CB 1.763 40.980 39.000 0.362 0.000 1.254 93 F HN 0.348 nan 8.300 nan 0.000 0.455 94 N N 2.489 121.348 118.700 0.265 0.000 2.751 94 N HA 0.146 4.887 4.740 0.001 0.000 0.234 94 N C 0.395 175.988 175.510 0.138 0.000 1.403 94 N CA -0.274 52.908 53.050 0.220 0.000 0.747 94 N CB 0.547 39.146 38.487 0.187 0.000 1.326 94 N HN 0.683 nan 8.380 nan 0.000 0.532 95 M N -0.839 118.777 119.600 0.028 0.000 2.260 95 M HA -0.005 4.475 4.480 0.001 0.000 0.261 95 M C 0.464 176.609 176.300 -0.259 0.000 1.066 95 M CA 1.552 56.754 55.300 -0.162 0.000 1.082 95 M CB -0.338 32.046 32.600 -0.360 0.000 1.388 95 M HN 0.306 nan 8.290 nan 0.000 0.419 96 W N 1.397 122.731 121.300 0.058 0.000 2.800 96 W HA 0.152 4.813 4.660 0.001 0.000 0.249 96 W C 1.845 178.381 176.519 0.029 0.000 1.294 96 W CA 0.301 57.663 57.345 0.028 0.000 1.402 96 W CB 0.043 29.502 29.460 -0.001 0.000 1.126 96 W HN 0.219 nan 8.180 nan 0.000 0.652 97 K N 0.703 121.217 120.400 0.191 0.000 2.734 97 K HA 0.034 4.354 4.320 0.001 0.000 0.200 97 K C -0.107 176.539 176.600 0.077 0.000 1.120 97 K CA -0.149 56.214 56.287 0.126 0.000 1.067 97 K CB -0.284 32.290 32.500 0.124 0.000 0.771 97 K HN -0.154 nan 8.250 nan 0.000 0.481 98 N N 1.297 120.032 118.700 0.059 0.000 2.513 98 N HA -0.005 4.735 4.740 0.001 0.000 0.268 98 N C 0.352 175.880 175.510 0.030 0.000 1.180 98 N CA 0.427 53.500 53.050 0.038 0.000 0.948 98 N CB 1.283 39.795 38.487 0.042 0.000 1.083 98 N HN 0.140 nan 8.380 nan 0.000 0.455 99 N N 2.871 121.579 118.700 0.013 0.000 2.415 99 N HA 0.127 4.868 4.740 0.001 0.000 0.176 99 N C 1.513 177.005 175.510 -0.030 0.000 1.042 99 N CA 0.741 53.793 53.050 0.003 0.000 0.902 99 N CB 0.098 38.586 38.487 0.002 0.000 0.986 99 N HN 0.578 nan 8.380 nan 0.000 0.447 100 M N -0.770 118.796 119.600 -0.056 0.000 2.229 100 M HA -0.108 4.373 4.480 0.001 0.000 0.264 100 M C 1.691 177.922 176.300 -0.116 0.000 1.063 100 M CA 0.800 56.007 55.300 -0.156 0.000 1.114 100 M CB -0.020 32.470 32.600 -0.184 0.000 1.387 100 M HN -0.034 nan 8.290 nan 0.000 0.420 101 V N 0.257 120.174 119.914 0.004 0.000 2.252 101 V HA -0.279 3.841 4.120 0.001 0.000 0.249 101 V C 2.218 178.414 176.094 0.168 0.000 1.056 101 V CA 2.322 64.696 62.300 0.122 0.000 1.022 101 V CB -0.815 31.086 31.823 0.131 0.000 0.641 101 V HN 0.427 nan 8.190 nan 0.000 0.445 102 E N -0.395 119.869 120.200 0.107 0.000 2.268 102 E HA -0.191 4.160 4.350 0.001 0.000 0.195 102 E C 2.169 178.833 176.600 0.107 0.000 0.995 102 E CA 0.794 57.275 56.400 0.135 0.000 0.836 102 E CB -0.214 29.533 29.700 0.078 0.000 0.763 102 E HN 0.486 nan 8.360 nan 0.000 0.491 103 Q N -0.520 119.277 119.800 -0.005 0.000 2.269 103 Q HA 0.026 4.366 4.340 0.001 0.000 0.201 103 Q C 1.883 177.830 176.000 -0.089 0.000 0.946 103 Q CA 0.877 56.635 55.803 -0.076 0.000 0.877 103 Q CB -0.024 28.598 28.738 -0.194 0.000 0.963 103 Q HN 0.444 nan 8.270 nan 0.000 0.472 104 M N -1.207 118.320 119.600 -0.123 0.000 2.216 104 M HA -0.134 4.346 4.480 0.001 0.000 0.264 104 M C 2.005 178.216 176.300 -0.149 0.000 1.080 104 M CA 1.466 56.702 55.300 -0.106 0.000 1.153 104 M CB -0.279 32.206 32.600 -0.192 0.000 1.356 104 M HN 0.235 nan 8.290 nan 0.000 0.432 105 H N 0.659 119.658 119.070 -0.120 0.000 2.289 105 H HA -0.244 4.312 4.556 0.001 0.000 0.294 105 H C 1.878 177.323 175.328 0.194 0.000 1.095 105 H CA 2.709 58.897 56.048 0.233 0.000 1.256 105 H CB -0.238 29.840 29.762 0.527 0.000 1.359 105 H HN 0.533 nan 8.280 nan 0.000 0.487 106 E N -0.731 119.541 120.200 0.120 0.000 2.204 106 E HA -0.187 4.163 4.350 0.001 0.000 0.194 106 E C 1.679 178.278 176.600 -0.002 0.000 0.989 106 E CA 1.061 57.476 56.400 0.025 0.000 0.824 106 E CB -0.043 29.699 29.700 0.070 0.000 0.756 106 E HN 0.607 nan 8.360 nan 0.000 0.477 107 D N 0.491 120.897 120.400 0.011 0.000 2.120 107 D HA -0.123 4.517 4.640 0.001 0.000 0.202 107 D C 1.971 178.291 176.300 0.032 0.000 0.972 107 D CA 0.647 54.665 54.000 0.029 0.000 0.837 107 D CB 0.058 40.901 40.800 0.073 0.000 0.989 107 D HN 0.167 nan 8.370 nan 0.000 0.469 108 I N 1.594 122.153 120.570 -0.019 0.000 2.423 108 I HA -0.225 3.945 4.170 0.001 0.000 0.254 108 I C 2.519 178.763 176.117 0.211 0.000 1.151 108 I CA 0.640 61.981 61.300 0.068 0.000 1.421 108 I CB -0.987 36.959 38.000 -0.090 0.000 1.079 108 I HN 0.170 nan 8.210 nan 0.000 0.431 109 I N 0.396 121.001 120.570 0.059 0.000 2.286 109 I HA -0.205 3.966 4.170 0.001 0.000 0.245 109 I C 2.305 178.463 176.117 0.069 0.000 1.104 109 I CA 1.067 62.319 61.300 -0.080 0.000 1.397 109 I CB -0.266 37.564 38.000 -0.283 0.000 1.072 109 I HN 0.108 nan 8.210 nan 0.000 0.417 110 S N 0.808 116.548 115.700 0.066 0.000 2.481 110 S HA -0.054 4.417 4.470 0.001 0.000 0.231 110 S C 1.721 176.406 174.600 0.143 0.000 0.996 110 S CA 0.563 58.811 58.200 0.080 0.000 0.942 110 S CB -0.140 63.087 63.200 0.046 0.000 0.768 110 S HN 0.273 nan 8.310 nan 0.000 0.520 111 L N -0.573 120.785 121.223 0.225 0.000 2.554 111 L HA 0.260 4.601 4.340 0.001 0.000 0.226 111 L C 1.034 178.126 176.870 0.369 0.000 1.137 111 L CA 0.941 55.950 54.840 0.281 0.000 0.863 111 L CB -0.262 41.993 42.059 0.325 0.000 0.985 111 L HN 0.290 nan 8.230 nan 0.000 0.451 112 W N -1.045 120.286 121.300 0.052 0.000 2.808 112 W HA 0.142 4.802 4.660 0.001 0.000 0.266 112 W C 1.670 178.183 176.519 -0.009 0.000 1.247 112 W CA -0.002 57.340 57.345 -0.005 0.000 1.440 112 W CB -0.091 29.417 29.460 0.079 0.000 1.040 112 W HN 0.108 nan 8.180 nan 0.000 0.606 113 D N -0.332 120.178 120.400 0.184 0.000 2.363 113 D HA -0.096 4.544 4.640 0.001 0.000 0.226 113 D C 1.536 177.868 176.300 0.053 0.000 1.020 113 D CA 0.902 54.957 54.000 0.091 0.000 0.892 113 D CB -0.132 40.700 40.800 0.052 0.000 0.900 113 D HN 0.419 nan 8.370 nan 0.000 0.531 114 Q N -1.216 118.615 119.800 0.052 0.000 2.118 114 Q HA 0.236 4.576 4.340 0.001 0.000 0.219 114 Q C 0.777 176.790 176.000 0.021 0.000 0.794 114 Q CA -0.058 55.765 55.803 0.033 0.000 1.035 114 Q CB 0.675 29.436 28.738 0.038 0.000 1.177 114 Q HN 0.097 nan 8.270 nan 0.000 0.478 115 S N -0.196 115.496 115.700 -0.014 0.000 3.056 115 S HA 0.315 4.785 4.470 0.001 0.000 0.255 115 S C 0.375 174.905 174.600 -0.117 0.000 1.079 115 S CA -0.326 57.845 58.200 -0.048 0.000 0.810 115 S CB 0.238 63.411 63.200 -0.045 0.000 0.810 115 S HN 0.229 nan 8.310 nan 0.000 0.477 116 L N 2.534 123.640 121.223 -0.196 0.000 2.366 116 L HA 0.533 4.874 4.340 0.001 0.000 0.266 116 L C -1.140 175.833 176.870 0.171 0.000 1.010 116 L CA -0.253 54.559 54.840 -0.047 0.000 0.879 116 L CB 1.453 43.304 42.059 -0.345 0.000 1.228 116 L HN 0.112 nan 8.230 nan 0.000 0.439 117 K N 4.151 124.610 120.400 0.098 0.000 2.293 117 K HA 0.458 4.778 4.320 0.001 0.000 0.267 117 K C -2.473 173.991 176.600 -0.227 0.000 1.010 117 K CA -1.792 54.481 56.287 -0.024 0.000 0.875 117 K CB 1.789 34.273 32.500 -0.027 0.000 1.106 117 K HN 0.137 nan 8.250 nan 0.000 0.450 118 P HA 0.018 nan 4.420 nan 0.000 0.271 118 P C 0.212 177.294 177.300 -0.363 0.000 1.233 118 P CA -0.406 62.218 63.100 -0.793 0.000 0.789 118 P CB 0.597 31.889 31.700 -0.681 0.000 0.951 119 c N 0.006 118.430 118.600 -0.293 0.000 2.464 119 c HA 0.231 4.802 4.570 0.001 0.000 0.278 119 c C 1.117 175.129 174.090 -0.130 0.000 1.375 119 c CA 0.156 56.393 56.329 -0.153 0.000 1.761 119 c CB -0.533 41.916 42.510 -0.101 0.000 1.944 119 c HN 0.438 nan 8.230 nan 0.000 0.509 120 V N 0.704 120.525 119.914 -0.155 0.000 2.969 120 V HA 0.582 4.703 4.120 0.001 0.000 0.304 120 V C -1.701 174.316 176.094 -0.128 0.000 1.192 120 V CA -0.527 61.705 62.300 -0.113 0.000 0.962 120 V CB 1.987 33.762 31.823 -0.081 0.000 1.045 120 V HN 0.331 nan 8.190 nan 0.000 0.428 121 K N 6.390 126.732 120.400 -0.097 0.000 2.507 121 K HA 0.708 5.028 4.320 0.001 0.000 0.252 121 K C -1.922 174.643 176.600 -0.059 0.000 0.943 121 K CA -0.720 55.517 56.287 -0.083 0.000 0.808 121 K CB 1.714 34.165 32.500 -0.083 0.000 1.142 121 K HN 0.775 nan 8.250 nan 0.000 0.426 122 L N 3.051 124.245 121.223 -0.049 0.000 2.325 122 L HA 0.629 4.969 4.340 0.001 0.000 0.278 122 L C -0.493 176.357 176.870 -0.033 0.000 1.023 122 L CA -0.912 53.906 54.840 -0.038 0.000 0.811 122 L CB 1.961 44.001 42.059 -0.033 0.000 1.249 122 L HN 0.789 nan 8.230 nan 0.000 0.431 123 T N -0.151 114.386 114.554 -0.029 0.000 3.032 123 T HA 0.426 4.777 4.350 0.001 0.000 0.312 123 T C -2.855 171.833 174.700 -0.019 0.000 1.078 123 T CA -1.872 60.213 62.100 -0.025 0.000 1.028 123 T CB 1.721 70.572 68.868 -0.029 0.000 1.091 123 T HN 0.181 nan 8.240 nan 0.000 0.457 124 P HA 0.288 nan 4.420 nan 0.000 0.264 124 P C -0.905 176.388 177.300 -0.011 0.000 1.179 124 P CA -0.377 62.716 63.100 -0.012 0.000 0.763 124 P CB 0.318 32.013 31.700 -0.008 0.000 0.806 125 L N 4.866 126.083 121.223 -0.010 0.000 2.563 125 L HA 0.367 4.707 4.340 0.001 0.000 0.259 125 L C -1.461 175.405 176.870 -0.007 0.000 1.034 125 L CA -0.110 54.724 54.840 -0.009 0.000 0.899 125 L CB 0.347 42.399 42.059 -0.011 0.000 1.159 125 L HN 0.390 nan 8.230 nan 0.000 0.456 126 c N 2.102 120.698 118.600 -0.006 0.000 2.614 126 c HA 0.628 5.198 4.570 0.001 0.000 0.320 126 c C 1.710 175.798 174.090 -0.003 0.000 1.200 126 c CA -0.454 55.873 56.329 -0.004 0.000 1.700 126 c CB 1.442 43.950 42.510 -0.003 0.000 2.275 126 c HN 0.644 nan 8.230 nan 0.000 0.492 127 V N -0.299 119.613 119.914 -0.003 0.000 3.235 127 V HA 0.509 4.629 4.120 0.001 0.000 0.259 127 V C 1.325 177.418 176.094 -0.002 0.000 1.133 127 V CA 1.576 63.874 62.300 -0.002 0.000 1.128 127 V CB -0.598 31.224 31.823 -0.003 0.000 0.757 127 V HN 1.690 nan 8.190 nan 0.000 0.469 128 G N -0.318 108.481 108.800 -0.002 0.000 2.316 128 G HA2 -0.001 3.959 3.960 0.001 0.000 0.203 128 G HA3 -0.001 3.959 3.960 0.001 0.000 0.203 128 G C 0.531 175.430 174.900 -0.001 0.000 0.999 128 G CA 0.072 45.171 45.100 -0.001 0.000 0.649 128 G HN 1.322 nan 8.290 nan 0.000 0.489 195 S N 0.115 115.813 115.700 -0.003 0.000 2.810 195 S HA 0.223 4.693 4.470 0.001 0.000 0.329 195 S C -0.113 174.484 174.600 -0.005 0.000 1.231 195 S CA 0.551 58.748 58.200 -0.004 0.000 1.042 195 S CB -0.611 62.587 63.200 -0.004 0.000 0.756 195 S HN 0.776 nan 8.310 nan 0.000 0.504 196 c N 7.249 125.846 118.600 -0.005 0.000 2.407 196 c HA 0.443 5.014 4.570 0.001 0.000 0.328 196 c C 0.386 174.471 174.090 -0.008 0.000 1.137 196 c CA -1.363 54.962 56.329 -0.006 0.000 1.390 196 c CB 0.122 42.629 42.510 -0.006 0.000 1.989 196 c HN 0.880 nan 8.230 nan 0.000 0.432 197 N N 1.107 119.802 118.700 -0.008 0.000 2.467 197 N HA 0.305 5.046 4.740 0.001 0.000 0.262 197 N C -0.115 175.388 175.510 -0.012 0.000 1.234 197 N CA 0.481 53.526 53.050 -0.010 0.000 0.952 197 N CB 1.116 39.597 38.487 -0.010 0.000 1.158 197 N HN 0.564 nan 8.380 nan 0.000 0.463 198 T N 0.476 115.022 114.554 -0.014 0.000 2.771 198 T HA 0.129 4.479 4.350 0.001 0.000 0.281 198 T C 0.126 174.815 174.700 -0.018 0.000 0.982 198 T CA -0.365 61.726 62.100 -0.016 0.000 0.978 198 T CB 0.876 69.734 68.868 -0.017 0.000 0.930 198 T HN 0.274 nan 8.240 nan 0.000 0.447 199 S N 3.113 118.801 115.700 -0.020 0.000 2.448 199 S HA 0.396 4.867 4.470 0.001 0.000 0.279 199 S C 0.015 174.599 174.600 -0.027 0.000 1.195 199 S CA -0.574 57.613 58.200 -0.022 0.000 1.051 199 S CB 0.221 63.409 63.200 -0.021 0.000 0.948 199 S HN 0.564 nan 8.310 nan 0.000 0.493 200 V N 7.052 126.950 119.914 -0.027 0.000 2.612 200 V HA 0.679 4.799 4.120 0.001 0.000 0.301 200 V C -0.672 175.401 176.094 -0.035 0.000 1.046 200 V CA -0.590 61.691 62.300 -0.033 0.000 0.946 200 V CB 1.379 33.184 31.823 -0.031 0.000 1.003 200 V HN 0.889 nan 8.190 nan 0.000 0.459 201 I N 4.711 125.255 120.570 -0.043 0.000 2.571 201 I HA 0.379 4.550 4.170 0.001 0.000 0.289 201 I C -0.741 175.342 176.117 -0.056 0.000 1.115 201 I CA -0.311 60.962 61.300 -0.045 0.000 1.045 201 I CB 2.527 40.499 38.000 -0.047 0.000 1.238 201 I HN 0.495 nan 8.210 nan 0.000 0.424 202 T N 5.803 120.328 114.554 -0.049 0.000 2.815 202 T HA 0.441 4.792 4.350 0.001 0.000 0.289 202 T C -0.501 174.169 174.700 -0.050 0.000 1.000 202 T CA -0.718 61.350 62.100 -0.054 0.000 0.958 202 T CB 1.100 69.941 68.868 -0.044 0.000 0.944 202 T HN 0.583 nan 8.240 nan 0.000 0.442 203 Q N 1.922 121.685 119.800 -0.061 0.000 2.633 203 Q HA 0.819 5.159 4.340 0.001 0.000 0.292 203 Q C -0.547 175.422 176.000 -0.050 0.000 1.089 203 Q CA -1.268 54.505 55.803 -0.050 0.000 0.811 203 Q CB 1.478 30.186 28.738 -0.049 0.000 1.472 203 Q HN 0.564 nan 8.270 nan 0.000 0.464 204 A N -0.139 122.659 122.820 -0.037 0.000 2.448 204 A HA 0.224 4.544 4.320 0.001 0.000 0.239 204 A C 0.023 177.584 177.584 -0.038 0.000 1.080 204 A CA -0.085 51.935 52.037 -0.029 0.000 0.779 204 A CB 0.002 18.992 19.000 -0.017 0.000 1.026 204 A HN 0.748 nan 8.150 nan 0.000 0.499 205 c N 2.288 120.872 118.600 -0.027 0.000 2.814 205 c HA 0.379 4.950 4.570 0.001 0.000 0.242 205 c C -2.308 171.792 174.090 0.016 0.000 1.704 205 c CA -1.325 54.990 56.329 -0.023 0.000 1.608 205 c CB -1.428 41.063 42.510 -0.031 0.000 2.939 205 c HN 0.722 nan 8.230 nan 0.000 0.512 206 P HA 0.005 nan 4.420 nan 0.000 0.258 206 P C -0.352 176.976 177.300 0.045 0.000 1.172 206 P CA 0.752 63.868 63.100 0.026 0.000 0.762 206 P CB 0.385 32.096 31.700 0.018 0.000 0.764 207 K N 3.123 123.550 120.400 0.045 0.000 2.338 207 K HA 0.255 4.575 4.320 0.001 0.000 0.290 207 K C -0.195 176.430 176.600 0.042 0.000 1.069 207 K CA -0.196 56.124 56.287 0.054 0.000 0.941 207 K CB 0.473 33.001 32.500 0.047 0.000 1.023 207 K HN 0.202 nan 8.250 nan 0.000 0.477 208 V N 2.251 122.193 119.914 0.045 0.000 2.604 208 V HA 0.257 4.377 4.120 0.001 0.000 0.305 208 V C 0.129 176.249 176.094 0.042 0.000 1.043 208 V CA -0.664 61.659 62.300 0.038 0.000 0.888 208 V CB 1.992 33.839 31.823 0.041 0.000 0.995 208 V HN 0.775 nan 8.190 nan 0.000 0.429 209 S N 6.061 121.779 115.700 0.030 0.000 4.069 209 S HA 0.193 4.664 4.470 0.001 0.000 0.192 209 S C 0.043 174.651 174.600 0.014 0.000 1.441 209 S CA -0.395 57.816 58.200 0.018 0.000 0.994 209 S CB -0.866 62.332 63.200 -0.003 0.000 1.456 209 S HN 0.941 nan 8.310 nan 0.000 0.458 210 F N 2.876 122.747 119.950 -0.132 0.000 2.332 210 F HA -0.009 4.518 4.527 0.001 0.000 0.390 210 F C 0.527 176.246 175.800 -0.136 0.000 1.004 210 F CA 0.405 58.300 58.000 -0.175 0.000 0.990 210 F CB -0.031 38.780 39.000 -0.315 0.000 0.867 210 F HN 0.404 nan 8.300 nan 0.000 0.519 211 E N 8.313 128.186 120.200 -0.546 0.000 2.149 211 E HA 0.324 4.675 4.350 0.001 0.000 0.255 211 E C -2.400 173.846 176.600 -0.590 0.000 0.888 211 E CA -2.307 53.793 56.400 -0.500 0.000 0.742 211 E CB 0.983 30.535 29.700 -0.247 0.000 1.164 211 E HN 0.379 nan 8.360 nan 0.000 0.422 212 P HA 0.084 nan 4.420 nan 0.000 0.262 212 P C -0.152 176.995 177.300 -0.254 0.000 1.182 212 P CA 0.210 63.029 63.100 -0.469 0.000 0.761 212 P CB 0.428 31.932 31.700 -0.325 0.000 0.795 213 I N 4.980 125.436 120.570 -0.190 0.000 2.392 213 I HA 0.382 4.553 4.170 0.001 0.000 0.295 213 I C -2.345 173.668 176.117 -0.173 0.000 0.985 213 I CA -3.073 58.134 61.300 -0.155 0.000 1.221 213 I CB 1.881 39.807 38.000 -0.123 0.000 1.366 213 I HN 0.230 nan 8.210 nan 0.000 0.467 214 P HA 0.103 nan 4.420 nan 0.000 0.266 214 P C -1.079 176.002 177.300 -0.364 0.000 1.193 214 P CA 0.200 63.136 63.100 -0.275 0.000 0.770 214 P CB 0.282 31.811 31.700 -0.286 0.000 0.836 215 I N -0.928 119.371 120.570 -0.451 0.000 2.466 215 I HA 0.504 4.675 4.170 0.001 0.000 0.289 215 I C -0.406 175.325 176.117 -0.643 0.000 1.026 215 I CA -0.808 60.182 61.300 -0.517 0.000 1.078 215 I CB 1.772 39.473 38.000 -0.499 0.000 1.249 215 I HN 0.247 nan 8.210 nan 0.000 0.429 216 H N 4.466 123.292 119.070 -0.406 0.000 2.544 216 H HA 0.466 5.022 4.556 0.001 0.000 0.342 216 H C -1.567 173.481 175.328 -0.466 0.000 1.185 216 H CA -0.430 55.421 56.048 -0.328 0.000 1.264 216 H CB 2.018 31.675 29.762 -0.176 0.000 1.607 216 H HN 0.672 nan 8.280 nan 0.000 0.550 217 Y N 0.416 120.725 120.300 0.015 0.000 2.445 217 Y HA 0.198 4.748 4.550 0.001 0.000 0.332 217 Y C -0.541 175.350 175.900 -0.014 0.000 1.037 217 Y CA -0.658 57.418 58.100 -0.040 0.000 1.296 217 Y CB 1.038 39.434 38.460 -0.107 0.000 1.099 217 Y HN 0.451 nan 8.280 nan 0.000 0.496 218 c N 2.658 121.348 118.600 0.150 0.000 2.319 218 c HA 0.773 5.343 4.570 0.001 0.000 0.335 218 c C 0.800 174.943 174.090 0.089 0.000 1.274 218 c CA -0.997 55.388 56.329 0.094 0.000 1.806 218 c CB 0.115 42.651 42.510 0.043 0.000 2.329 218 c HN 0.867 nan 8.230 nan 0.000 0.524 219 A N 4.660 127.535 122.820 0.092 0.000 2.488 219 A HA 0.462 4.782 4.320 0.001 0.000 0.249 219 A C -1.310 176.327 177.584 0.088 0.000 1.083 219 A CA -0.476 51.621 52.037 0.100 0.000 0.768 219 A CB -0.149 18.940 19.000 0.148 0.000 1.017 219 A HN 0.784 nan 8.150 nan 0.000 0.496 220 P HA 0.244 nan 4.420 nan 0.000 0.206 220 P C 0.201 177.565 177.300 0.107 0.000 1.209 220 P CA 1.635 64.774 63.100 0.064 0.000 0.923 220 P CB 0.238 31.947 31.700 0.015 0.000 0.761 221 A N -3.267 119.661 122.820 0.181 0.000 2.605 221 A HA 0.543 4.863 4.320 0.001 0.000 0.294 221 A C 0.502 178.256 177.584 0.283 0.000 1.062 221 A CA -0.033 52.107 52.037 0.171 0.000 0.682 221 A CB 0.645 19.711 19.000 0.110 0.000 1.278 221 A HN 0.467 nan 8.150 nan 0.000 0.410 222 G N -0.996 107.878 108.800 0.123 0.000 2.189 222 G HA2 -0.184 3.776 3.960 0.001 0.000 0.267 222 G HA3 -0.184 3.776 3.960 0.001 0.000 0.267 222 G C -0.123 174.571 174.900 -0.343 0.000 0.975 222 G CA 1.225 46.302 45.100 -0.039 0.000 0.644 222 G HN 1.340 nan 8.290 nan 0.000 0.537 223 F N 0.196 120.151 119.950 0.008 0.000 2.588 223 F HA 0.781 5.309 4.527 0.001 0.000 0.310 223 F C 0.180 175.989 175.800 0.015 0.000 1.082 223 F CA -0.482 57.523 58.000 0.008 0.000 0.929 223 F CB 2.425 41.429 39.000 0.007 0.000 1.254 223 F HN 0.477 nan 8.300 nan 0.000 0.455 224 A N 3.075 125.987 122.820 0.155 0.000 2.455 224 A HA 0.814 5.134 4.320 0.001 0.000 0.300 224 A C -1.229 176.426 177.584 0.119 0.000 1.040 224 A CA -0.588 51.516 52.037 0.112 0.000 0.697 224 A CB 1.062 20.095 19.000 0.055 0.000 1.265 224 A HN 0.688 nan 8.150 nan 0.000 0.407 225 I N 2.108 122.756 120.570 0.130 0.000 2.365 225 I HA 0.289 4.460 4.170 0.001 0.000 0.291 225 I C -0.958 175.253 176.117 0.156 0.000 1.004 225 I CA -0.604 60.791 61.300 0.158 0.000 1.311 225 I CB 1.270 39.392 38.000 0.204 0.000 1.401 225 I HN 0.381 nan 8.210 nan 0.000 0.491 226 L N 7.069 128.390 121.223 0.163 0.000 2.313 226 L HA 0.420 4.760 4.340 0.001 0.000 0.283 226 L C -0.101 176.919 176.870 0.250 0.000 1.013 226 L CA -0.409 54.541 54.840 0.183 0.000 0.816 226 L CB 1.375 43.536 42.059 0.170 0.000 1.236 226 L HN 0.478 nan 8.230 nan 0.000 0.419 227 K N 2.683 123.129 120.400 0.077 0.000 2.182 227 K HA 0.507 4.827 4.320 0.001 0.000 0.262 227 K C -0.873 175.552 176.600 -0.291 0.000 0.957 227 K CA -0.468 55.689 56.287 -0.216 0.000 0.842 227 K CB 1.536 33.836 32.500 -0.334 0.000 1.099 227 K HN 0.681 nan 8.250 nan 0.000 0.438 228 c N 4.012 122.282 118.600 -0.551 0.000 2.365 228 c HA 0.503 5.074 4.570 0.001 0.000 0.351 228 c C -0.971 172.768 174.090 -0.585 0.000 1.240 228 c CA -0.553 55.291 56.329 -0.807 0.000 2.062 228 c CB -0.197 41.461 42.510 -1.420 0.000 2.387 228 c HN 0.868 nan 8.230 nan 0.000 0.537 229 N N 4.297 122.696 118.700 -0.503 0.000 2.491 229 N HA 0.441 5.181 4.740 0.001 0.000 0.274 229 N C -1.692 173.649 175.510 -0.281 0.000 1.023 229 N CA -0.078 52.781 53.050 -0.318 0.000 0.902 229 N CB 1.542 39.898 38.487 -0.219 0.000 1.267 229 N HN 0.824 nan 8.380 nan 0.000 0.503 230 D N 1.222 121.511 120.400 -0.186 0.000 2.747 230 D HA -0.015 4.626 4.640 0.001 0.000 0.218 230 D C 0.483 176.787 176.300 0.006 0.000 1.230 230 D CA -0.309 53.633 54.000 -0.098 0.000 0.774 230 D CB 1.546 42.271 40.800 -0.125 0.000 1.667 230 D HN 0.400 nan 8.370 nan 0.000 0.499 231 K N 1.647 122.052 120.400 0.009 0.000 2.442 231 K HA -0.068 4.253 4.320 0.001 0.000 0.198 231 K C 0.319 176.951 176.600 0.052 0.000 1.044 231 K CA 0.774 57.077 56.287 0.027 0.000 0.948 231 K CB 0.442 32.947 32.500 0.008 0.000 0.762 231 K HN 0.133 nan 8.250 nan 0.000 0.472 232 K N 0.581 121.030 120.400 0.082 0.000 2.790 232 K HA 0.161 4.481 4.320 0.001 0.000 0.253 232 K C -2.122 174.600 176.600 0.204 0.000 1.082 232 K CA -0.502 55.845 56.287 0.100 0.000 1.067 232 K CB 0.746 33.279 32.500 0.056 0.000 1.284 232 K HN -0.021 nan 8.250 nan 0.000 0.529 233 F N 3.395 123.367 119.950 0.038 0.000 2.402 233 F HA 0.360 4.887 4.527 0.001 0.000 0.355 233 F C 0.872 176.732 175.800 0.100 0.000 1.123 233 F CA -1.179 56.861 58.000 0.067 0.000 1.021 233 F CB 0.912 39.970 39.000 0.096 0.000 1.160 233 F HN 0.379 nan 8.300 nan 0.000 0.451 234 N N 3.659 122.260 118.700 -0.165 0.000 2.348 234 N HA -0.075 4.665 4.740 0.001 0.000 0.185 234 N C 1.654 176.921 175.510 -0.406 0.000 1.019 234 N CA 1.222 54.173 53.050 -0.166 0.000 0.880 234 N CB -0.232 38.236 38.487 -0.032 0.000 0.965 234 N HN 0.991 nan 8.380 nan 0.000 0.437 235 G N -0.208 107.725 108.800 -1.445 0.000 2.155 235 G HA2 -0.260 3.700 3.960 0.001 0.000 0.257 235 G HA3 -0.260 3.700 3.960 0.001 0.000 0.257 235 G C 0.211 174.876 174.900 -0.392 0.000 0.983 235 G CA 0.902 45.329 45.100 -1.122 0.000 0.676 235 G HN 0.566 nan 8.290 nan 0.000 0.528 236 T N -1.013 113.378 114.554 -0.271 0.000 3.298 236 T HA 0.695 5.046 4.350 0.001 0.000 0.318 236 T C 0.367 175.144 174.700 0.128 0.000 1.165 236 T CA 1.132 63.302 62.100 0.116 0.000 1.557 236 T CB -0.160 68.885 68.868 0.295 0.000 0.898 236 T HN 1.999 nan 8.240 nan 0.000 0.585 237 G N 3.293 112.233 108.800 0.233 0.000 2.360 237 G HA2 0.449 4.410 3.960 0.001 0.000 0.276 237 G HA3 0.449 4.410 3.960 0.001 0.000 0.276 237 G C -3.350 171.759 174.900 0.349 0.000 1.256 237 G CA -0.682 44.570 45.100 0.254 0.000 0.890 237 G HN 0.239 nan 8.290 nan 0.000 0.486 238 P HA 0.396 nan 4.420 nan 0.000 0.287 238 P C -0.357 177.039 177.300 0.159 0.000 1.307 238 P CA -0.045 63.184 63.100 0.216 0.000 0.777 238 P CB 1.163 32.946 31.700 0.138 0.000 0.883 239 c N 4.413 123.055 118.600 0.071 0.000 2.369 239 c HA 0.322 4.893 4.570 0.001 0.000 0.358 239 c C 2.186 176.180 174.090 -0.159 0.000 1.274 239 c CA 0.249 56.424 56.329 -0.257 0.000 1.935 239 c CB -0.233 41.801 42.510 -0.794 0.000 2.431 239 c HN 0.751 nan 8.230 nan 0.000 0.545 240 T N 1.776 116.227 114.554 -0.172 0.000 2.939 240 T HA 0.020 4.370 4.350 0.001 0.000 0.254 240 T C 0.751 175.377 174.700 -0.124 0.000 1.041 240 T CA 0.870 62.907 62.100 -0.105 0.000 1.142 240 T CB -0.265 68.558 68.868 -0.076 0.000 0.874 240 T HN 0.656 nan 8.240 nan 0.000 0.452 241 N N 2.088 120.675 118.700 -0.189 0.000 2.575 241 N HA 0.359 5.100 4.740 0.001 0.000 0.275 241 N C -0.042 175.348 175.510 -0.200 0.000 1.202 241 N CA -0.266 52.684 53.050 -0.167 0.000 0.945 241 N CB 0.443 38.835 38.487 -0.158 0.000 1.247 241 N HN 0.397 nan 8.380 nan 0.000 0.510 242 V N 0.652 120.456 119.914 -0.183 0.000 3.432 242 V HA 0.424 4.545 4.120 0.001 0.000 0.304 242 V C 0.210 176.258 176.094 -0.077 0.000 1.107 242 V CA 0.159 62.371 62.300 -0.146 0.000 1.153 242 V CB 1.027 32.850 31.823 -0.001 0.000 1.072 242 V HN 0.544 nan 8.190 nan 0.000 0.485 243 S N 2.067 117.745 115.700 -0.037 0.000 2.586 243 S HA 0.289 4.760 4.470 0.001 0.000 0.296 243 S C -0.765 173.845 174.600 0.016 0.000 1.120 243 S CA -0.398 57.792 58.200 -0.018 0.000 0.927 243 S CB 0.638 63.810 63.200 -0.046 0.000 1.114 243 S HN 1.031 nan 8.310 nan 0.000 0.453 244 T N 3.397 117.971 114.554 0.034 0.000 2.888 244 T HA 0.514 4.864 4.350 0.001 0.000 0.301 244 T C 0.495 175.230 174.700 0.059 0.000 1.001 244 T CA 0.162 62.295 62.100 0.055 0.000 1.147 244 T CB 0.384 69.279 68.868 0.045 0.000 0.931 244 T HN 1.528 nan 8.240 nan 0.000 0.541 245 V N 1.853 121.822 119.914 0.092 0.000 3.040 245 V HA 0.569 4.689 4.120 0.001 0.000 0.312 245 V C 0.799 176.958 176.094 0.107 0.000 1.115 245 V CA -1.005 61.356 62.300 0.102 0.000 0.998 245 V CB 2.060 33.973 31.823 0.150 0.000 1.042 245 V HN 0.606 nan 8.190 nan 0.000 0.433 246 Q N 1.466 121.315 119.800 0.082 0.000 1.946 246 Q HA 0.167 4.507 4.340 0.001 0.000 0.199 246 Q C 0.501 176.550 176.000 0.080 0.000 0.979 246 Q CA 2.146 57.988 55.803 0.065 0.000 0.834 246 Q CB -0.134 28.622 28.738 0.030 0.000 0.899 246 Q HN 0.975 nan 8.270 nan 0.000 0.431 247 c N 0.402 119.046 118.600 0.072 0.000 2.561 247 c HA 0.646 5.216 4.570 0.001 0.000 0.319 247 c C 0.004 174.184 174.090 0.150 0.000 1.198 247 c CA -0.788 55.590 56.329 0.082 0.000 1.665 247 c CB 0.966 43.465 42.510 -0.019 0.000 2.258 247 c HN 0.621 nan 8.230 nan 0.000 0.493 248 T N -0.307 114.327 114.554 0.132 0.000 2.899 248 T HA 0.272 4.622 4.350 0.001 0.000 0.295 248 T C 0.423 175.255 174.700 0.220 0.000 1.033 248 T CA -0.101 62.057 62.100 0.096 0.000 1.084 248 T CB 0.273 68.879 68.868 -0.436 0.000 0.979 248 T HN 0.882 nan 8.240 nan 0.000 0.532 249 H N 0.635 119.797 119.070 0.154 0.000 3.044 249 H HA 0.141 4.697 4.556 0.001 0.000 0.356 249 H C 0.842 176.226 175.328 0.093 0.000 1.134 249 H CA -0.333 55.817 56.048 0.170 0.000 1.387 249 H CB -0.680 29.178 29.762 0.160 0.000 1.325 249 H HN 0.986 nan 8.280 nan 0.000 0.609 250 G N 1.789 110.545 108.800 -0.074 0.000 2.299 250 G HA2 0.359 4.320 3.960 0.001 0.000 0.256 250 G HA3 0.359 4.320 3.960 0.001 0.000 0.256 250 G C -0.001 174.621 174.900 -0.464 0.000 1.259 250 G CA -0.512 44.313 45.100 -0.459 0.000 0.943 250 G HN 0.651 nan 8.290 nan 0.000 0.479 251 I N 2.596 122.858 120.570 -0.513 0.000 2.406 251 I HA 0.308 4.479 4.170 0.001 0.000 0.290 251 I C 0.409 176.382 176.117 -0.240 0.000 0.999 251 I CA -0.717 60.366 61.300 -0.361 0.000 1.124 251 I CB 2.119 39.907 38.000 -0.354 0.000 1.289 251 I HN 0.307 nan 8.210 nan 0.000 0.441 252 R N 7.200 127.623 120.500 -0.129 0.000 2.408 252 R HA 0.233 4.573 4.340 0.001 0.000 0.308 252 R C -2.141 174.151 176.300 -0.013 0.000 1.210 252 R CA -1.568 54.475 56.100 -0.095 0.000 1.115 252 R CB 0.445 30.700 30.300 -0.075 0.000 1.127 252 R HN 0.351 nan 8.270 nan 0.000 0.523 253 P HA -0.080 nan 4.420 nan 0.000 0.231 253 P C -0.298 177.151 177.300 0.248 0.000 1.210 253 P CA 0.353 63.453 63.100 -0.001 0.000 1.332 253 P CB 0.130 31.725 31.700 -0.175 0.000 1.594 254 V N 5.017 125.119 119.914 0.313 0.000 2.385 254 V HA 0.083 4.204 4.120 0.001 0.000 0.269 254 V C 0.775 177.014 176.094 0.242 0.000 1.043 254 V CA -0.558 61.893 62.300 0.251 0.000 0.906 254 V CB 1.720 33.621 31.823 0.129 0.000 0.995 254 V HN 0.162 nan 8.190 nan 0.000 0.467 255 V N 6.245 126.262 119.914 0.172 0.000 2.385 255 V HA 0.655 4.775 4.120 0.001 0.000 0.269 255 V C 0.329 176.333 176.094 -0.150 0.000 1.043 255 V CA 0.331 62.499 62.300 -0.220 0.000 0.906 255 V CB 1.126 32.525 31.823 -0.706 0.000 0.995 255 V HN 1.094 nan 8.190 nan 0.000 0.467 256 S N 3.559 119.140 115.700 -0.198 0.000 2.661 256 S HA 0.804 5.274 4.470 0.001 0.000 0.268 256 S C -0.580 173.974 174.600 -0.076 0.000 1.162 256 S CA -0.207 57.960 58.200 -0.056 0.000 0.817 256 S CB 2.376 65.625 63.200 0.081 0.000 1.141 256 S HN 0.898 nan 8.310 nan 0.000 0.477 257 T N -1.880 112.688 114.554 0.022 0.000 2.906 257 T HA 0.713 5.063 4.350 0.001 0.000 0.295 257 T C 0.292 175.088 174.700 0.159 0.000 1.061 257 T CA -0.065 62.054 62.100 0.031 0.000 1.000 257 T CB 1.536 70.401 68.868 -0.004 0.000 1.103 257 T HN 0.926 nan 8.240 nan 0.000 0.486 258 Q N -0.668 119.182 119.800 0.084 0.000 2.755 258 Q HA -0.200 4.140 4.340 0.001 0.000 0.190 258 Q C -0.349 175.725 176.000 0.125 0.000 2.840 258 Q CA 1.771 57.623 55.803 0.081 0.000 0.265 258 Q CB -1.330 27.457 28.738 0.083 0.000 0.240 258 Q HN 0.743 nan 8.270 nan 0.000 0.447 259 L N 1.413 122.715 121.223 0.132 0.000 2.365 259 L HA 0.566 4.906 4.340 0.001 0.000 0.273 259 L C -0.349 176.554 176.870 0.054 0.000 1.000 259 L CA -0.690 54.156 54.840 0.010 0.000 0.819 259 L CB 1.446 43.291 42.059 -0.357 0.000 1.284 259 L HN 0.062 nan 8.230 nan 0.000 0.418 260 L N 4.480 125.722 121.223 0.031 0.000 2.257 260 L HA 0.479 4.820 4.340 0.001 0.000 0.290 260 L C -0.479 176.399 176.870 0.013 0.000 1.044 260 L CA -0.344 54.512 54.840 0.027 0.000 0.810 260 L CB 0.999 43.078 42.059 0.033 0.000 1.193 260 L HN 0.406 nan 8.230 nan 0.000 0.425 261 L N 4.346 125.573 121.223 0.006 0.000 2.307 261 L HA 0.379 4.719 4.340 0.001 0.000 0.282 261 L C 0.387 177.255 176.870 -0.004 0.000 1.051 261 L CA -0.590 54.233 54.840 -0.027 0.000 0.804 261 L CB 1.052 43.062 42.059 -0.081 0.000 1.197 261 L HN 0.642 nan 8.230 nan 0.000 0.431 262 N N 0.909 119.601 118.700 -0.014 0.000 2.714 262 N HA -0.171 4.569 4.740 0.001 0.000 0.250 262 N C 0.387 175.920 175.510 0.038 0.000 1.117 262 N CA 1.029 54.078 53.050 -0.000 0.000 0.719 262 N CB -1.164 37.310 38.487 -0.021 0.000 1.081 262 N HN 0.937 nan 8.380 nan 0.000 0.557 263 G N -1.327 107.509 108.800 0.060 0.000 2.580 263 G HA2 0.476 4.436 3.960 0.001 0.000 0.225 263 G HA3 0.476 4.436 3.960 0.001 0.000 0.225 263 G C -0.227 174.748 174.900 0.124 0.000 1.521 263 G CA -0.016 45.149 45.100 0.108 0.000 1.068 263 G HN 0.205 nan 8.290 nan 0.000 0.564 264 S N -0.380 115.420 115.700 0.165 0.000 2.449 264 S HA 0.475 4.946 4.470 0.001 0.000 0.310 264 S C 0.041 174.710 174.600 0.114 0.000 1.096 264 S CA -0.427 57.870 58.200 0.162 0.000 1.095 264 S CB 1.309 64.642 63.200 0.223 0.000 1.007 264 S HN 0.390 nan 8.310 nan 0.000 0.474 265 L N 2.200 123.469 121.223 0.077 0.000 2.472 265 L HA 0.384 4.724 4.340 0.001 0.000 0.260 265 L C 0.789 177.688 176.870 0.048 0.000 1.209 265 L CA -0.567 54.302 54.840 0.048 0.000 0.817 265 L CB 0.284 42.361 42.059 0.030 0.000 1.106 265 L HN 0.704 nan 8.230 nan 0.000 0.479 266 A N 1.465 124.299 122.820 0.023 0.000 2.354 266 A HA 0.200 4.520 4.320 0.001 0.000 0.281 266 A C 0.915 178.509 177.584 0.018 0.000 1.174 266 A CA -0.585 51.462 52.037 0.018 0.000 0.828 266 A CB 0.340 19.334 19.000 -0.011 0.000 1.099 266 A HN 0.829 nan 8.150 nan 0.000 0.516 267 E N 1.696 121.913 120.200 0.028 0.000 2.007 267 E HA -0.195 4.155 4.350 0.001 0.000 0.203 267 E C 1.289 177.892 176.600 0.006 0.000 1.020 267 E CA 1.366 57.777 56.400 0.017 0.000 0.845 267 E CB -0.233 29.478 29.700 0.018 0.000 0.779 267 E HN 0.816 nan 8.360 nan 0.000 0.466 268 E N 1.172 121.375 120.200 0.006 0.000 1.989 268 E HA -0.037 4.313 4.350 0.001 0.000 0.214 268 E C 0.786 177.380 176.600 -0.009 0.000 0.915 268 E CA 0.748 57.146 56.400 -0.002 0.000 1.012 268 E CB -0.047 29.653 29.700 -0.000 0.000 0.865 268 E HN 0.194 nan 8.360 nan 0.000 0.577 269 E N -0.453 119.740 120.200 -0.013 0.000 2.469 269 E HA 0.402 4.753 4.350 0.001 0.000 0.246 269 E C -0.183 176.400 176.600 -0.028 0.000 0.969 269 E CA -0.851 55.535 56.400 -0.024 0.000 0.881 269 E CB 1.053 30.737 29.700 -0.027 0.000 1.320 269 E HN 0.157 nan 8.360 nan 0.000 0.421 270 I N 1.938 122.484 120.570 -0.041 0.000 2.587 270 I HA 0.018 4.188 4.170 0.001 0.000 0.284 270 I C -0.602 175.497 176.117 -0.031 0.000 1.134 270 I CA 0.042 61.315 61.300 -0.045 0.000 1.410 270 I CB 0.283 38.242 38.000 -0.068 0.000 1.392 270 I HN 0.061 nan 8.210 nan 0.000 0.545 271 V N 7.883 127.782 119.914 -0.025 0.000 2.667 271 V HA 0.496 4.617 4.120 0.001 0.000 0.308 271 V C -0.072 176.037 176.094 0.026 0.000 1.048 271 V CA -0.719 61.575 62.300 -0.009 0.000 0.928 271 V CB 2.025 33.827 31.823 -0.036 0.000 1.004 271 V HN 0.565 nan 8.190 nan 0.000 0.444 272 I N 1.493 122.124 120.570 0.102 0.000 2.439 272 I HA 0.784 4.954 4.170 0.001 0.000 0.285 272 I C -0.517 175.834 176.117 0.390 0.000 1.021 272 I CA -0.739 60.695 61.300 0.223 0.000 1.091 272 I CB 1.654 39.834 38.000 0.301 0.000 1.242 272 I HN 0.445 nan 8.210 nan 0.000 0.439 273 R N 3.547 124.216 120.500 0.281 0.000 2.674 273 R HA 0.810 5.151 4.340 0.001 0.000 0.266 273 R C -0.527 175.852 176.300 0.132 0.000 1.016 273 R CA -0.849 55.459 56.100 0.347 0.000 1.062 273 R CB 1.709 32.202 30.300 0.322 0.000 1.142 273 R HN 0.735 nan 8.270 nan 0.000 0.517 274 S N -0.695 114.838 115.700 -0.278 0.000 2.570 274 S HA 0.059 4.529 4.470 0.001 0.000 0.286 274 S C 0.042 173.738 174.600 -1.506 0.000 1.143 274 S CA -0.715 56.811 58.200 -1.124 0.000 0.921 274 S CB 1.242 63.212 63.200 -2.051 0.000 1.108 274 S HN 0.817 nan 8.310 nan 0.000 0.456 275 E N 2.569 121.391 120.200 -2.298 0.000 2.396 275 E HA -0.097 4.254 4.350 0.001 0.000 0.200 275 E C 0.108 176.224 176.600 -0.806 0.000 1.023 275 E CA 0.664 55.973 56.400 -1.818 0.000 0.857 275 E CB 0.108 29.058 29.700 -1.249 0.000 0.775 275 E HN 0.490 nan 8.360 nan 0.000 0.525 276 N N -1.204 117.100 118.700 -0.659 0.000 4.190 276 N HA -0.049 4.691 4.740 0.001 0.000 0.184 276 N C -0.750 174.635 175.510 -0.208 0.000 1.230 276 N CA -0.224 52.645 53.050 -0.303 0.000 0.927 276 N CB -0.517 37.848 38.487 -0.203 0.000 1.653 276 N HN -0.088 nan 8.380 nan 0.000 0.832 277 F N 0.950 120.838 119.950 -0.103 0.000 2.365 277 F HA -0.014 4.514 4.527 0.001 0.000 0.300 277 F C 2.372 178.267 175.800 0.158 0.000 1.090 277 F CA 1.044 59.067 58.000 0.039 0.000 1.408 277 F CB 0.082 38.961 39.000 -0.202 0.000 1.060 277 F HN 0.384 nan 8.300 nan 0.000 0.534 278 T N -1.102 113.579 114.554 0.211 0.000 2.867 278 T HA -0.195 4.155 4.350 0.001 0.000 0.268 278 T C 0.900 175.669 174.700 0.114 0.000 1.057 278 T CA 0.835 63.032 62.100 0.162 0.000 1.136 278 T CB -0.473 68.438 68.868 0.072 0.000 0.874 278 T HN -0.011 nan 8.240 nan 0.000 0.466 279 N N 2.851 121.582 118.700 0.052 0.000 2.406 279 N HA 0.058 4.799 4.740 0.001 0.000 0.251 279 N C 0.630 176.142 175.510 0.003 0.000 1.069 279 N CA -0.436 52.617 53.050 0.004 0.000 0.947 279 N CB 0.353 38.813 38.487 -0.045 0.000 1.111 279 N HN 0.170 nan 8.380 nan 0.000 0.497 280 N N 2.859 121.555 118.700 -0.007 0.000 2.551 280 N HA -0.067 4.674 4.740 0.001 0.000 0.199 280 N C 0.386 175.867 175.510 -0.049 0.000 1.277 280 N CA 0.331 53.355 53.050 -0.044 0.000 0.870 280 N CB 0.024 38.468 38.487 -0.073 0.000 1.028 280 N HN 0.426 nan 8.380 nan 0.000 0.452 281 A N -0.267 122.529 122.820 -0.040 0.000 2.259 281 A HA 0.143 4.463 4.320 0.001 0.000 0.213 281 A C 0.451 178.009 177.584 -0.043 0.000 1.209 281 A CA -0.101 51.913 52.037 -0.038 0.000 0.910 281 A CB 0.324 19.304 19.000 -0.033 0.000 0.946 281 A HN 0.036 nan 8.150 nan 0.000 0.497 282 K N 2.075 122.436 120.400 -0.066 0.000 2.248 282 K HA 0.342 4.663 4.320 0.001 0.000 0.281 282 K C -0.516 176.039 176.600 -0.075 0.000 1.054 282 K CA -0.119 56.108 56.287 -0.100 0.000 0.903 282 K CB 0.472 32.846 32.500 -0.211 0.000 1.077 282 K HN 0.155 nan 8.250 nan 0.000 0.474 283 T N 3.249 117.793 114.554 -0.018 0.000 2.946 283 T HA 0.059 4.410 4.350 0.001 0.000 0.312 283 T C 0.875 175.599 174.700 0.040 0.000 1.066 283 T CA 0.206 62.329 62.100 0.038 0.000 1.138 283 T CB 0.217 69.132 68.868 0.078 0.000 1.014 283 T HN 0.323 nan 8.240 nan 0.000 0.544 284 I N 3.766 124.395 120.570 0.099 0.000 2.321 284 I HA 0.336 4.506 4.170 0.001 0.000 0.291 284 I C 0.094 176.317 176.117 0.177 0.000 0.998 284 I CA -0.547 60.830 61.300 0.127 0.000 1.227 284 I CB 0.973 39.152 38.000 0.299 0.000 1.368 284 I HN 0.470 nan 8.210 nan 0.000 0.466 285 I N 7.225 127.910 120.570 0.191 0.000 2.304 285 I HA 0.245 4.415 4.170 0.001 0.000 0.291 285 I C -0.057 176.133 176.117 0.121 0.000 1.018 285 I CA -0.582 60.802 61.300 0.140 0.000 1.260 285 I CB 1.254 39.313 38.000 0.099 0.000 1.390 285 I HN 0.214 nan 8.210 nan 0.000 0.475 286 V N 6.479 126.454 119.914 0.103 0.000 2.644 286 V HA 0.271 4.391 4.120 0.001 0.000 0.295 286 V C 0.030 176.138 176.094 0.023 0.000 1.053 286 V CA -0.478 61.866 62.300 0.074 0.000 0.987 286 V CB 1.543 33.405 31.823 0.066 0.000 1.006 286 V HN 0.702 nan 8.190 nan 0.000 0.472 287 Q N 3.374 123.169 119.800 -0.007 0.000 2.320 287 Q HA 0.494 4.834 4.340 0.001 0.000 0.268 287 Q C -1.307 174.675 176.000 -0.031 0.000 1.023 287 Q CA -0.529 55.257 55.803 -0.030 0.000 0.744 287 Q CB 1.665 30.353 28.738 -0.084 0.000 1.246 287 Q HN 0.668 nan 8.270 nan 0.000 0.462 288 L N 3.118 124.326 121.223 -0.025 0.000 2.426 288 L HA 0.128 4.469 4.340 0.001 0.000 0.271 288 L C 1.173 178.028 176.870 -0.026 0.000 1.169 288 L CA -0.217 54.599 54.840 -0.039 0.000 0.836 288 L CB 0.391 42.429 42.059 -0.035 0.000 1.112 288 L HN 0.719 nan 8.230 nan 0.000 0.465 289 N N 0.652 119.332 118.700 -0.035 0.000 2.325 289 N HA -0.028 4.712 4.740 0.001 0.000 0.182 289 N C -0.047 175.451 175.510 -0.020 0.000 1.088 289 N CA 0.057 53.095 53.050 -0.021 0.000 0.879 289 N CB 0.372 38.844 38.487 -0.025 0.000 0.983 289 N HN 0.639 nan 8.380 nan 0.000 0.471 290 E N 1.011 121.193 120.200 -0.030 0.000 2.343 290 E HA 0.207 4.558 4.350 0.001 0.000 0.260 290 E C -1.020 175.567 176.600 -0.022 0.000 0.908 290 E CA -0.509 55.876 56.400 -0.025 0.000 0.814 290 E CB 1.072 30.752 29.700 -0.034 0.000 1.302 290 E HN 0.248 nan 8.360 nan 0.000 0.408 291 S N 1.604 117.300 115.700 -0.007 0.000 2.576 291 S HA 0.232 4.703 4.470 0.001 0.000 0.272 291 S C 0.140 174.746 174.600 0.009 0.000 1.352 291 S CA -0.596 57.605 58.200 0.002 0.000 1.021 291 S CB 1.314 64.515 63.200 0.002 0.000 0.887 291 S HN 0.259 nan 8.310 nan 0.000 0.542 292 V N 2.968 122.901 119.914 0.032 0.000 2.325 292 V HA 0.251 4.371 4.120 0.001 0.000 0.280 292 V C -0.035 176.065 176.094 0.009 0.000 1.016 292 V CA -0.904 61.428 62.300 0.053 0.000 0.818 292 V CB 1.107 33.034 31.823 0.172 0.000 1.019 292 V HN 0.870 nan 8.190 nan 0.000 0.434 293 V N 6.187 126.095 119.914 -0.010 0.000 2.720 293 V HA 0.084 4.204 4.120 0.001 0.000 0.307 293 V C 0.124 176.180 176.094 -0.063 0.000 1.071 293 V CA 0.701 62.978 62.300 -0.039 0.000 1.199 293 V CB 0.789 32.594 31.823 -0.030 0.000 0.900 293 V HN 0.760 nan 8.190 nan 0.000 0.494 294 I N 4.274 124.784 120.570 -0.100 0.000 2.548 294 I HA 0.470 4.640 4.170 0.001 0.000 0.287 294 I C -1.057 174.981 176.117 -0.132 0.000 1.103 294 I CA -0.540 60.681 61.300 -0.131 0.000 1.049 294 I CB 1.675 39.553 38.000 -0.204 0.000 1.232 294 I HN 0.588 nan 8.210 nan 0.000 0.429 295 N N 7.074 125.718 118.700 -0.094 0.000 2.444 295 N HA 0.426 5.166 4.740 0.001 0.000 0.262 295 N C -1.184 174.267 175.510 -0.098 0.000 0.974 295 N CA -0.272 52.720 53.050 -0.095 0.000 0.933 295 N CB 1.540 39.992 38.487 -0.058 0.000 1.137 295 N HN 0.440 nan 8.380 nan 0.000 0.498 296 c N 0.452 118.966 118.600 -0.142 0.000 2.397 296 c HA 0.793 5.363 4.570 0.001 0.000 0.343 296 c C 0.846 174.862 174.090 -0.123 0.000 1.188 296 c CA -0.541 55.719 56.329 -0.115 0.000 1.992 296 c CB 1.552 43.997 42.510 -0.108 0.000 2.358 296 c HN 0.664 nan 8.230 nan 0.000 0.518 297 T N -0.315 114.238 114.554 -0.002 0.000 2.933 297 T HA 0.507 4.857 4.350 0.001 0.000 0.305 297 T C 0.928 175.851 174.700 0.371 0.000 1.092 297 T CA 0.286 62.437 62.100 0.085 0.000 1.008 297 T CB 1.298 70.112 68.868 -0.089 0.000 1.102 297 T HN 0.903 nan 8.240 nan 0.000 0.469 298 G N 2.103 111.143 108.800 0.400 0.000 2.586 298 G HA2 0.315 4.276 3.960 0.001 0.000 0.215 298 G HA3 0.315 4.276 3.960 0.001 0.000 0.215 298 G C 0.825 175.766 174.900 0.068 0.000 1.128 298 G CA 0.568 45.800 45.100 0.219 0.000 0.774 298 G HN 1.058 nan 8.290 nan 0.000 0.543 330 H N -2.039 117.144 119.070 0.188 0.000 2.887 330 H HA 0.631 5.187 4.556 0.001 0.000 0.290 330 H C -1.691 173.748 175.328 0.185 0.000 1.429 330 H CA -0.493 55.660 56.048 0.174 0.000 1.137 330 H CB 1.062 30.888 29.762 0.107 0.000 1.824 330 H HN 0.209 nan 8.280 nan 0.000 0.520 331 c N 1.030 119.779 118.600 0.249 0.000 2.797 331 c HA 0.524 5.094 4.570 0.001 0.000 0.306 331 c C -0.358 173.846 174.090 0.190 0.000 1.207 331 c CA -0.836 55.572 56.329 0.131 0.000 1.507 331 c CB 1.382 43.953 42.510 0.101 0.000 2.028 331 c HN 0.673 nan 8.230 nan 0.000 0.475 332 N N 1.199 119.966 118.700 0.112 0.000 2.361 332 N HA 0.811 5.551 4.740 0.001 0.000 0.302 332 N C -1.273 174.233 175.510 -0.008 0.000 1.074 332 N CA -0.391 52.707 53.050 0.080 0.000 0.850 332 N CB 2.119 40.666 38.487 0.101 0.000 1.228 332 N HN 0.628 nan 8.380 nan 0.000 0.491 333 L N 0.185 121.388 121.223 -0.032 0.000 2.393 333 L HA 0.432 4.773 4.340 0.001 0.000 0.260 333 L C -0.211 176.651 176.870 -0.014 0.000 1.002 333 L CA -0.554 54.246 54.840 -0.068 0.000 0.818 333 L CB 2.090 44.035 42.059 -0.190 0.000 1.369 333 L HN 0.467 nan 8.230 nan 0.000 0.412 334 S N 2.333 118.043 115.700 0.018 0.000 2.455 334 S HA 0.160 4.630 4.470 0.001 0.000 0.278 334 S C 1.088 175.738 174.600 0.083 0.000 1.216 334 S CA 0.080 58.306 58.200 0.043 0.000 1.055 334 S CB 0.289 63.515 63.200 0.043 0.000 0.939 334 S HN 0.775 nan 8.310 nan 0.000 0.494 335 K N 3.547 123.990 120.400 0.072 0.000 2.147 335 K HA -0.106 4.215 4.320 0.001 0.000 0.205 335 K C 1.647 178.311 176.600 0.107 0.000 1.049 335 K CA 1.950 58.298 56.287 0.103 0.000 0.936 335 K CB -0.404 32.142 32.500 0.076 0.000 0.722 335 K HN 0.763 nan 8.250 nan 0.000 0.446 336 T N 1.166 115.762 114.554 0.069 0.000 2.588 336 T HA -0.178 4.172 4.350 0.001 0.000 0.261 336 T C 1.793 176.510 174.700 0.029 0.000 1.069 336 T CA 1.559 63.686 62.100 0.044 0.000 1.172 336 T CB -0.395 68.490 68.868 0.029 0.000 0.863 336 T HN 0.368 nan 8.240 nan 0.000 0.408 337 Q N -0.276 119.548 119.800 0.039 0.000 2.112 337 Q HA -0.139 4.201 4.340 0.001 0.000 0.206 337 Q C 2.170 178.169 176.000 -0.000 0.000 0.987 337 Q CA 1.397 57.210 55.803 0.018 0.000 0.858 337 Q CB -0.227 28.538 28.738 0.044 0.000 0.905 337 Q HN 0.633 nan 8.270 nan 0.000 0.420 338 W N 1.364 122.593 121.300 -0.118 0.000 2.436 338 W HA -0.137 4.524 4.660 0.001 0.000 0.284 338 W C 1.726 178.125 176.519 -0.200 0.000 1.225 338 W CA 0.922 58.160 57.345 -0.179 0.000 1.271 338 W CB 0.246 29.599 29.460 -0.179 0.000 1.114 338 W HN 0.197 nan 8.180 nan 0.000 0.559 339 E N 0.610 120.741 120.200 -0.114 0.000 2.047 339 E HA -0.190 4.160 4.350 0.001 0.000 0.191 339 E C 1.647 178.084 176.600 -0.272 0.000 0.987 339 E CA 1.307 57.620 56.400 -0.145 0.000 0.799 339 E CB -0.657 29.064 29.700 0.036 0.000 0.752 339 E HN 0.510 nan 8.360 nan 0.000 0.449 340 N N -0.418 118.162 118.700 -0.200 0.000 2.025 340 N HA -0.146 4.594 4.740 0.001 0.000 0.194 340 N C 1.872 177.173 175.510 -0.348 0.000 1.044 340 N CA 1.973 54.902 53.050 -0.201 0.000 0.851 340 N CB -0.291 38.117 38.487 -0.131 0.000 1.036 340 N HN 0.083 nan 8.380 nan 0.000 0.422 341 T N 2.101 116.385 114.554 -0.449 0.000 2.649 341 T HA -0.175 4.175 4.350 0.001 0.000 0.268 341 T C 1.982 176.233 174.700 -0.747 0.000 1.036 341 T CA 1.074 62.818 62.100 -0.593 0.000 1.157 341 T CB -0.505 67.895 68.868 -0.780 0.000 0.861 341 T HN 0.182 nan 8.240 nan 0.000 0.445 342 L N 0.515 121.119 121.223 -1.033 0.000 2.187 342 L HA -0.130 4.211 4.340 0.001 0.000 0.213 342 L C 2.704 179.039 176.870 -0.891 0.000 1.100 342 L CA 1.350 55.532 54.840 -1.096 0.000 0.765 342 L CB -0.600 40.604 42.059 -1.425 0.000 0.904 342 L HN 0.426 nan 8.230 nan 0.000 0.437 343 E N 0.027 119.817 120.200 -0.684 0.000 2.016 343 E HA -0.217 4.134 4.350 0.001 0.000 0.190 343 E C 1.834 178.279 176.600 -0.259 0.000 0.985 343 E CA 0.868 57.034 56.400 -0.391 0.000 0.802 343 E CB -0.147 29.452 29.700 -0.168 0.000 0.762 343 E HN 0.537 nan 8.360 nan 0.000 0.448 344 Q N 0.098 119.752 119.800 -0.243 0.000 2.547 344 Q HA 0.003 4.343 4.340 0.001 0.000 0.217 344 Q C 1.453 177.346 176.000 -0.178 0.000 0.978 344 Q CA 0.439 56.138 55.803 -0.174 0.000 0.962 344 Q CB 0.132 28.776 28.738 -0.157 0.000 0.990 344 Q HN 0.366 nan 8.270 nan 0.000 0.538 345 I N -1.567 118.869 120.570 -0.223 0.000 3.673 345 I HA 0.048 4.219 4.170 0.001 0.000 0.281 345 I C 1.879 177.921 176.117 -0.125 0.000 1.182 345 I CA 0.303 61.504 61.300 -0.165 0.000 1.391 345 I CB 0.050 37.920 38.000 -0.217 0.000 1.383 345 I HN 0.074 nan 8.210 nan 0.000 0.456 346 A N 0.756 123.474 122.820 -0.169 0.000 2.070 346 A HA -0.139 4.182 4.320 0.001 0.000 0.220 346 A C 2.200 179.722 177.584 -0.103 0.000 1.159 346 A CA 1.420 53.352 52.037 -0.174 0.000 0.656 346 A CB -0.589 18.274 19.000 -0.227 0.000 0.800 346 A HN 0.451 nan 8.150 nan 0.000 0.453 347 I N -1.584 118.935 120.570 -0.086 0.000 2.703 347 I HA -0.067 4.104 4.170 0.001 0.000 0.259 347 I C 1.808 177.892 176.117 -0.056 0.000 1.151 347 I CA 0.754 62.025 61.300 -0.048 0.000 1.470 347 I CB 0.104 38.079 38.000 -0.042 0.000 1.112 347 I HN 0.065 nan 8.210 nan 0.000 0.437 348 K N 0.419 120.776 120.400 -0.071 0.000 2.366 348 K HA 0.046 4.366 4.320 0.001 0.000 0.198 348 K C 1.907 178.473 176.600 -0.057 0.000 1.044 348 K CA 0.737 56.986 56.287 -0.063 0.000 0.973 348 K CB 0.031 32.499 32.500 -0.053 0.000 0.767 348 K HN 0.348 nan 8.250 nan 0.000 0.475 349 L N 1.153 122.335 121.223 -0.068 0.000 2.007 349 L HA -0.164 4.177 4.340 0.001 0.000 0.205 349 L C 2.253 179.198 176.870 0.125 0.000 1.073 349 L CA 1.385 56.214 54.840 -0.018 0.000 0.744 349 L CB -0.446 41.378 42.059 -0.392 0.000 0.898 349 L HN 0.138 nan 8.230 nan 0.000 0.435 350 K N 0.056 120.483 120.400 0.044 0.000 2.360 350 K HA -0.217 4.104 4.320 0.001 0.000 0.201 350 K C 1.488 178.103 176.600 0.025 0.000 1.046 350 K CA 1.267 57.605 56.287 0.084 0.000 0.940 350 K CB -0.331 32.194 32.500 0.041 0.000 0.748 350 K HN 0.297 nan 8.250 nan 0.000 0.465 351 E N 0.662 120.844 120.200 -0.030 0.000 2.365 351 E HA -0.069 4.281 4.350 0.001 0.000 0.188 351 E C 0.825 177.324 176.600 -0.168 0.000 1.102 351 E CA 0.034 56.386 56.400 -0.079 0.000 0.927 351 E CB 0.305 29.960 29.700 -0.076 0.000 1.073 351 E HN 0.303 nan 8.360 nan 0.000 0.467 352 Q N -1.379 118.291 119.800 -0.216 0.000 2.010 352 Q HA 0.069 4.409 4.340 0.001 0.000 0.215 352 Q C 0.368 175.990 176.000 -0.630 0.000 0.697 352 Q CA 0.114 55.602 55.803 -0.524 0.000 0.855 352 Q CB 0.336 28.568 28.738 -0.844 0.000 1.235 352 Q HN 0.291 nan 8.270 nan 0.000 0.442 353 F N 0.096 120.000 119.950 -0.076 0.000 2.682 353 F HA 0.506 5.033 4.527 0.001 0.000 0.308 353 F C 0.753 176.552 175.800 -0.001 0.000 1.093 353 F CA 0.607 58.607 58.000 0.000 0.000 1.244 353 F CB 1.850 40.911 39.000 0.103 0.000 1.052 353 F HN 0.055 nan 8.300 nan 0.000 0.573 354 G N 1.218 110.075 108.800 0.095 0.000 3.313 354 G HA2 -0.192 3.769 3.960 0.001 0.000 0.659 354 G HA3 -0.192 3.769 3.960 0.001 0.000 0.659 354 G C -0.057 174.875 174.900 0.053 0.000 1.286 354 G CA -0.327 44.809 45.100 0.059 0.000 1.077 354 G HN 0.212 nan 8.290 nan 0.000 0.551 355 N N 1.340 120.052 118.700 0.021 0.000 2.036 355 N HA -0.153 4.587 4.740 0.001 0.000 0.195 355 N C 1.098 176.621 175.510 0.023 0.000 1.037 355 N CA 1.175 54.235 53.050 0.016 0.000 0.855 355 N CB -0.081 38.407 38.487 0.002 0.000 1.033 355 N HN 0.480 nan 8.380 nan 0.000 0.423 356 N N 1.467 120.179 118.700 0.020 0.000 3.167 356 N HA 0.022 4.763 4.740 0.001 0.000 0.318 356 N C -1.082 174.444 175.510 0.027 0.000 1.268 356 N CA 0.676 53.737 53.050 0.018 0.000 1.197 356 N CB 0.344 38.839 38.487 0.013 0.000 1.464 356 N HN 0.309 nan 8.380 nan 0.000 0.555 357 K N -0.381 120.040 120.400 0.036 0.000 2.513 357 K HA 0.285 4.606 4.320 0.001 0.000 0.251 357 K C -0.875 175.747 176.600 0.037 0.000 0.939 357 K CA -0.506 55.808 56.287 0.045 0.000 0.793 357 K CB 1.610 34.160 32.500 0.083 0.000 1.241 357 K HN -0.073 nan 8.250 nan 0.000 0.431 358 T N 3.328 117.895 114.554 0.022 0.000 2.884 358 T HA 0.325 4.675 4.350 0.001 0.000 0.298 358 T C -0.196 174.516 174.700 0.019 0.000 0.998 358 T CA -0.227 61.877 62.100 0.007 0.000 1.124 358 T CB 0.359 69.218 68.868 -0.015 0.000 0.931 358 T HN 0.230 nan 8.240 nan 0.000 0.531 359 I N 3.269 123.850 120.570 0.018 0.000 2.378 359 I HA 0.490 4.660 4.170 0.001 0.000 0.291 359 I C -0.123 175.997 176.117 0.006 0.000 0.992 359 I CA -0.670 60.629 61.300 -0.001 0.000 1.154 359 I CB 1.141 39.105 38.000 -0.060 0.000 1.315 359 I HN 0.570 nan 8.210 nan 0.000 0.448 360 I N 5.435 125.983 120.570 -0.037 0.000 2.785 360 I HA 0.453 4.624 4.170 0.001 0.000 0.302 360 I C -1.203 174.896 176.117 -0.030 0.000 1.069 360 I CA -0.733 60.577 61.300 0.017 0.000 1.045 360 I CB 2.294 40.319 38.000 0.042 0.000 1.236 360 I HN 0.277 nan 8.210 nan 0.000 0.429 361 F N 2.889 123.082 119.950 0.406 0.000 2.499 361 F HA 0.441 4.969 4.527 0.001 0.000 0.333 361 F C -0.005 176.001 175.800 0.342 0.000 1.138 361 F CA -0.515 57.732 58.000 0.411 0.000 0.945 361 F CB 1.540 40.810 39.000 0.450 0.000 1.181 361 F HN 0.391 nan 8.300 nan 0.000 0.435 362 N N 3.871 122.867 118.700 0.493 0.000 2.328 362 N HA 0.499 5.239 4.740 0.001 0.000 0.299 362 N C -2.765 172.922 175.510 0.296 0.000 1.179 362 N CA -1.933 51.316 53.050 0.331 0.000 0.793 362 N CB 2.473 41.078 38.487 0.197 0.000 1.366 362 N HN 0.166 nan 8.380 nan 0.000 0.493 363 P HA -0.005 nan 4.420 nan 0.000 0.275 363 P C -0.279 177.052 177.300 0.051 0.000 1.270 363 P CA -0.257 62.925 63.100 0.138 0.000 0.791 363 P CB 0.406 32.189 31.700 0.139 0.000 1.089 364 S N -0.319 115.375 115.700 -0.009 0.000 2.554 364 S HA -0.035 4.436 4.470 0.001 0.000 0.290 364 S C 1.326 175.934 174.600 0.014 0.000 1.309 364 S CA 0.280 58.469 58.200 -0.018 0.000 1.047 364 S CB -0.403 62.787 63.200 -0.016 0.000 0.828 364 S HN 0.339 nan 8.310 nan 0.000 0.509 365 S N 2.578 118.283 115.700 0.007 0.000 2.395 365 S HA 0.369 4.840 4.470 0.001 0.000 0.225 365 S C 0.913 175.521 174.600 0.013 0.000 1.027 365 S CA 0.518 58.725 58.200 0.012 0.000 0.965 365 S CB -0.286 62.914 63.200 0.001 0.000 0.812 365 S HN 1.163 nan 8.310 nan 0.000 0.482 366 G N -1.434 107.373 108.800 0.011 0.000 2.317 366 G HA2 0.520 4.480 3.960 0.001 0.000 0.293 366 G HA3 0.520 4.480 3.960 0.001 0.000 0.293 366 G C -0.445 174.464 174.900 0.016 0.000 1.287 366 G CA 0.040 45.150 45.100 0.016 0.000 0.850 366 G HN 0.949 nan 8.290 nan 0.000 0.515 367 G N -1.050 107.761 108.800 0.019 0.000 2.352 367 G HA2 0.328 4.289 3.960 0.001 0.000 0.324 367 G HA3 0.328 4.289 3.960 0.001 0.000 0.324 367 G C -1.218 173.701 174.900 0.032 0.000 1.249 367 G CA 0.079 45.192 45.100 0.022 0.000 1.053 367 G HN 0.938 nan 8.290 nan 0.000 0.492 368 D N 1.256 121.681 120.400 0.041 0.000 2.372 368 D HA 0.359 4.999 4.640 0.001 0.000 0.243 368 D C -1.105 175.247 176.300 0.086 0.000 1.121 368 D CA -0.847 53.188 54.000 0.058 0.000 0.898 368 D CB 1.193 42.032 40.800 0.065 0.000 1.202 368 D HN 0.021 nan 8.370 nan 0.000 0.428 369 P HA -0.177 nan 4.420 nan 0.000 0.216 369 P C 0.828 178.296 177.300 0.281 0.000 1.154 369 P CA 1.364 64.564 63.100 0.167 0.000 0.865 369 P CB 0.331 32.087 31.700 0.093 0.000 0.789 370 E N -1.493 118.881 120.200 0.290 0.000 2.265 370 E HA -0.129 4.221 4.350 0.001 0.000 0.196 370 E C 1.645 178.284 176.600 0.064 0.000 0.996 370 E CA 0.908 57.408 56.400 0.167 0.000 0.832 370 E CB -0.498 29.295 29.700 0.154 0.000 0.756 370 E HN 0.251 nan 8.360 nan 0.000 0.491 371 I N -0.918 119.696 120.570 0.073 0.000 3.339 371 I HA -0.025 4.146 4.170 0.001 0.000 0.285 371 I C 1.850 177.983 176.117 0.027 0.000 1.201 371 I CA 0.412 61.734 61.300 0.036 0.000 1.434 371 I CB -0.571 37.447 38.000 0.030 0.000 1.152 371 I HN -0.046 nan 8.210 nan 0.000 0.443 372 V N 1.062 121.007 119.914 0.051 0.000 2.667 372 V HA -0.103 4.018 4.120 0.001 0.000 0.252 372 V C 1.378 177.507 176.094 0.057 0.000 1.065 372 V CA 1.685 64.011 62.300 0.043 0.000 1.083 372 V CB -0.944 30.913 31.823 0.057 0.000 0.692 372 V HN 0.590 nan 8.190 nan 0.000 0.468 373 T N -2.928 111.685 114.554 0.098 0.000 2.927 373 T HA 0.418 4.769 4.350 0.001 0.000 0.286 373 T C -0.286 174.500 174.700 0.143 0.000 1.040 373 T CA -0.575 61.606 62.100 0.135 0.000 1.010 373 T CB 1.520 70.498 68.868 0.184 0.000 1.177 373 T HN 0.275 nan 8.240 nan 0.000 0.546 374 H N 0.785 119.919 119.070 0.107 0.000 3.118 374 H HA 0.552 5.109 4.556 0.001 0.000 0.266 374 H C 0.086 175.528 175.328 0.189 0.000 1.465 374 H CA -0.169 55.962 56.048 0.139 0.000 1.460 374 H CB -0.528 29.337 29.762 0.171 0.000 1.661 374 H HN 0.603 nan 8.280 nan 0.000 0.516 375 S N 4.306 119.908 115.700 -0.162 0.000 2.632 375 S HA 0.681 5.151 4.470 0.001 0.000 0.271 375 S C -1.015 173.424 174.600 -0.270 0.000 1.260 375 S CA -0.137 57.789 58.200 -0.456 0.000 1.010 375 S CB 0.095 62.919 63.200 -0.627 0.000 0.965 375 S HN 0.612 nan 8.310 nan 0.000 0.534 376 F N 0.340 120.074 119.950 -0.359 0.000 3.032 376 F HA 0.455 4.982 4.527 0.001 0.000 0.331 376 F C -1.339 174.404 175.800 -0.095 0.000 1.125 376 F CA -1.271 56.601 58.000 -0.214 0.000 0.873 376 F CB 0.690 39.522 39.000 -0.279 0.000 1.374 376 F HN 0.470 nan 8.300 nan 0.000 0.452 377 N N 0.833 119.594 118.700 0.102 0.000 2.372 377 N HA 0.525 5.265 4.740 0.001 0.000 0.291 377 N C -1.987 173.582 175.510 0.099 0.000 1.024 377 N CA -0.154 52.857 53.050 -0.064 0.000 0.873 377 N CB 2.095 40.450 38.487 -0.220 0.000 1.206 377 N HN 0.951 nan 8.380 nan 0.000 0.486 378 c N 2.662 121.279 118.600 0.029 0.000 2.397 378 c HA 0.645 5.215 4.570 0.001 0.000 0.325 378 c C 1.210 175.328 174.090 0.046 0.000 1.201 378 c CA 0.606 56.925 56.329 -0.017 0.000 1.377 378 c CB -0.578 41.759 42.510 -0.289 0.000 2.038 378 c HN 0.955 nan 8.230 nan 0.000 0.457 379 G N 3.750 112.554 108.800 0.006 0.000 2.168 379 G HA2 0.094 4.054 3.960 0.001 0.000 0.257 379 G HA3 0.094 4.054 3.960 0.001 0.000 0.257 379 G C 1.301 176.214 174.900 0.022 0.000 0.997 379 G CA 1.251 46.365 45.100 0.023 0.000 0.708 379 G HN 2.734 nan 8.290 nan 0.000 0.520 380 G N -1.746 107.040 108.800 -0.024 0.000 2.176 380 G HA2 -0.199 3.761 3.960 0.001 0.000 0.253 380 G HA3 -0.199 3.761 3.960 0.001 0.000 0.253 380 G C 0.009 174.748 174.900 -0.268 0.000 0.979 380 G CA 0.793 45.794 45.100 -0.165 0.000 0.641 380 G HN 0.976 nan 8.290 nan 0.000 0.530 381 E N -0.072 120.065 120.200 -0.106 0.000 2.174 381 E HA 0.528 4.878 4.350 0.001 0.000 0.282 381 E C -0.299 176.270 176.600 -0.052 0.000 0.992 381 E CA -0.909 55.483 56.400 -0.013 0.000 0.803 381 E CB 0.497 30.278 29.700 0.136 0.000 1.090 381 E HN 0.174 nan 8.360 nan 0.000 0.396 382 F N 3.074 123.021 119.950 -0.005 0.000 2.464 382 F HA 0.184 4.711 4.527 0.001 0.000 0.353 382 F C 0.373 176.167 175.800 -0.011 0.000 1.191 382 F CA -0.342 57.665 58.000 0.011 0.000 1.147 382 F CB -0.166 38.905 39.000 0.118 0.000 1.294 382 F HN 0.283 nan 8.300 nan 0.000 0.583 383 F N 2.547 122.233 119.950 -0.440 0.000 2.429 383 F HA 0.266 4.793 4.527 0.001 0.000 0.348 383 F C -0.337 175.103 175.800 -0.599 0.000 1.109 383 F CA -0.649 57.025 58.000 -0.543 0.000 1.232 383 F CB 0.396 38.721 39.000 -1.124 0.000 1.157 383 F HN 0.233 nan 8.300 nan 0.000 0.564 384 Y N 1.716 121.930 120.300 -0.143 0.000 2.594 384 Y HA 0.359 4.909 4.550 0.001 0.000 0.338 384 Y C -0.528 175.401 175.900 0.047 0.000 1.019 384 Y CA -1.157 56.910 58.100 -0.055 0.000 1.306 384 Y CB 1.038 39.475 38.460 -0.037 0.000 1.094 384 Y HN 0.432 nan 8.280 nan 0.000 0.534 385 c N 2.497 121.226 118.600 0.215 0.000 2.330 385 c HA 0.298 4.868 4.570 0.001 0.000 0.344 385 c C 0.676 174.913 174.090 0.245 0.000 1.273 385 c CA -1.044 55.453 56.329 0.280 0.000 1.879 385 c CB -0.048 42.709 42.510 0.411 0.000 2.376 385 c HN 0.761 nan 8.230 nan 0.000 0.534 386 N N 1.833 120.652 118.700 0.198 0.000 2.431 386 N HA 0.051 4.792 4.740 0.001 0.000 0.265 386 N C 0.616 176.231 175.510 0.175 0.000 1.184 386 N CA 0.101 53.252 53.050 0.167 0.000 0.943 386 N CB 0.713 39.278 38.487 0.131 0.000 1.080 386 N HN 0.759 nan 8.380 nan 0.000 0.477 387 S N 1.414 117.235 115.700 0.202 0.000 2.519 387 S HA 0.102 4.572 4.470 0.001 0.000 0.245 387 S C 0.929 175.720 174.600 0.319 0.000 1.152 387 S CA -0.590 57.767 58.200 0.260 0.000 1.175 387 S CB -0.116 63.312 63.200 0.380 0.000 0.829 387 S HN 0.501 nan 8.310 nan 0.000 0.472 388 T N 2.472 117.151 114.554 0.209 0.000 2.851 388 T HA -0.053 4.297 4.350 0.001 0.000 0.262 388 T C 1.710 176.530 174.700 0.201 0.000 1.043 388 T CA 1.213 63.440 62.100 0.211 0.000 1.140 388 T CB -0.195 68.761 68.868 0.147 0.000 0.872 388 T HN 0.572 nan 8.240 nan 0.000 0.446 389 Q N 0.342 120.219 119.800 0.128 0.000 2.436 389 Q HA 0.167 4.508 4.340 0.001 0.000 0.209 389 Q C 1.880 177.914 176.000 0.056 0.000 0.965 389 Q CA 0.622 56.481 55.803 0.093 0.000 0.910 389 Q CB -0.126 28.640 28.738 0.047 0.000 0.980 389 Q HN 0.448 nan 8.270 nan 0.000 0.491 390 L N -1.213 119.999 121.223 -0.018 0.000 2.416 390 L HA 0.116 4.457 4.340 0.001 0.000 0.216 390 L C 0.102 176.779 176.870 -0.323 0.000 1.098 390 L CA 0.338 54.995 54.840 -0.305 0.000 0.840 390 L CB 0.432 42.003 42.059 -0.813 0.000 0.981 390 L HN 0.179 nan 8.230 nan 0.000 0.462 391 F N -0.813 119.254 119.950 0.195 0.000 2.623 391 F HA 0.267 4.794 4.527 0.001 0.000 0.361 391 F C 0.086 176.061 175.800 0.292 0.000 1.469 391 F CA -0.253 57.885 58.000 0.230 0.000 1.126 391 F CB 0.700 39.808 39.000 0.179 0.000 1.221 391 F HN -0.306 nan 8.300 nan 0.000 0.536 392 T N -0.361 114.446 114.554 0.423 0.000 3.583 392 T HA 0.067 4.418 4.350 0.001 0.000 0.266 392 T C -1.551 173.381 174.700 0.385 0.000 1.296 392 T CA -0.263 62.049 62.100 0.353 0.000 1.668 392 T CB -0.008 69.004 68.868 0.241 0.000 0.832 392 T HN 0.355 nan 8.240 nan 0.000 0.649 393 W N 3.430 124.890 121.300 0.268 0.000 2.471 393 W HA 0.550 5.210 4.660 0.001 0.000 0.318 393 W C -1.154 175.476 176.519 0.184 0.000 1.034 393 W CA -0.635 56.844 57.345 0.224 0.000 1.224 393 W CB 0.927 30.557 29.460 0.283 0.000 1.335 393 W HN 0.153 nan 8.180 nan 0.000 0.452 394 N N 4.753 123.193 118.700 -0.434 0.000 2.400 394 N HA 0.010 4.750 4.740 0.001 0.000 0.288 394 N C -0.196 174.665 175.510 -1.082 0.000 1.024 394 N CA -0.419 52.327 53.050 -0.507 0.000 0.894 394 N CB 1.602 39.930 38.487 -0.265 0.000 1.173 394 N HN 0.556 nan 8.380 nan 0.000 0.487 395 D N 1.481 121.316 120.400 -0.942 0.000 2.489 395 D HA -0.070 4.570 4.640 0.001 0.000 0.265 395 D C 0.955 176.974 176.300 -0.469 0.000 1.305 395 D CA 0.666 54.158 54.000 -0.846 0.000 0.963 395 D CB -0.018 40.593 40.800 -0.316 0.000 0.984 395 D HN 0.697 nan 8.370 nan 0.000 0.492 396 T N -4.156 110.112 114.554 -0.476 0.000 3.550 396 T HA 0.233 4.583 4.350 0.001 0.000 0.261 396 T C 1.085 175.659 174.700 -0.210 0.000 0.990 396 T CA -0.521 61.425 62.100 -0.256 0.000 1.142 396 T CB 0.777 69.537 68.868 -0.180 0.000 1.173 396 T HN -0.131 nan 8.240 nan 0.000 0.405 397 R N 1.514 121.881 120.500 -0.223 0.000 2.602 397 R HA 0.742 5.082 4.340 0.001 0.000 0.237 397 R C -0.289 175.941 176.300 -0.117 0.000 1.219 397 R CA -0.413 55.607 56.100 -0.133 0.000 1.121 397 R CB 0.716 30.963 30.300 -0.089 0.000 1.408 397 R HN 0.433 nan 8.270 nan 0.000 0.559 408 N N -0.162 118.574 118.700 0.060 0.000 2.307 408 N HA -0.029 4.711 4.740 0.001 0.000 0.248 408 N C 0.411 175.943 175.510 0.037 0.000 1.322 408 N CA -0.258 52.823 53.050 0.052 0.000 0.861 408 N CB 0.150 38.670 38.487 0.055 0.000 1.303 408 N HN 0.649 nan 8.380 nan 0.000 0.498 409 N N 1.878 120.598 118.700 0.034 0.000 2.048 409 N HA -0.220 4.520 4.740 0.001 0.000 0.197 409 N C 0.117 175.640 175.510 0.022 0.000 1.048 409 N CA 2.262 55.327 53.050 0.025 0.000 0.887 409 N CB -0.488 38.013 38.487 0.023 0.000 1.081 409 N HN 0.231 nan 8.380 nan 0.000 0.512 410 T N -0.255 114.312 114.554 0.021 0.000 3.316 410 T HA 0.521 4.871 4.350 0.001 0.000 0.253 410 T C -0.551 174.160 174.700 0.017 0.000 0.995 410 T CA -0.405 61.705 62.100 0.017 0.000 1.031 410 T CB -0.841 68.035 68.868 0.013 0.000 1.125 410 T HN 0.451 nan 8.240 nan 0.000 0.539 411 G N 0.847 109.660 108.800 0.022 0.000 2.744 411 G HA2 0.389 4.350 3.960 0.001 0.000 0.286 411 G HA3 0.389 4.350 3.960 0.001 0.000 0.286 411 G C 0.235 175.150 174.900 0.026 0.000 1.497 411 G CA -0.672 44.441 45.100 0.022 0.000 1.070 411 G HN 0.314 nan 8.290 nan 0.000 0.539 412 R N 1.468 121.981 120.500 0.021 0.000 2.112 412 R HA 0.117 4.457 4.340 0.001 0.000 0.216 412 R C -0.088 176.228 176.300 0.026 0.000 1.080 412 R CA 0.741 56.855 56.100 0.023 0.000 0.996 412 R CB 0.151 30.462 30.300 0.018 0.000 0.902 412 R HN 0.549 nan 8.270 nan 0.000 0.449 413 N N -0.595 118.118 118.700 0.022 0.000 2.265 413 N HA 0.323 5.064 4.740 0.001 0.000 0.300 413 N C -1.306 174.214 175.510 0.015 0.000 1.148 413 N CA -0.601 52.462 53.050 0.021 0.000 0.772 413 N CB 2.263 40.762 38.487 0.020 0.000 1.434 413 N HN -0.037 nan 8.380 nan 0.000 0.481 414 I N 0.873 121.446 120.570 0.005 0.000 2.395 414 I HA 0.226 4.396 4.170 0.001 0.000 0.289 414 I C -0.166 175.946 176.117 -0.009 0.000 1.023 414 I CA -0.041 61.251 61.300 -0.013 0.000 1.350 414 I CB 0.857 38.818 38.000 -0.065 0.000 1.409 414 I HN 0.386 nan 8.210 nan 0.000 0.507 415 T N 7.278 121.833 114.554 0.003 0.000 2.893 415 T HA 0.375 4.725 4.350 0.001 0.000 0.324 415 T C -0.297 174.435 174.700 0.053 0.000 1.082 415 T CA -0.546 61.572 62.100 0.029 0.000 0.983 415 T CB 0.543 69.386 68.868 -0.041 0.000 1.005 415 T HN 0.081 nan 8.240 nan 0.000 0.475 416 L N 5.814 127.092 121.223 0.092 0.000 2.313 416 L HA 0.363 4.704 4.340 0.001 0.000 0.282 416 L C -2.162 174.817 176.870 0.183 0.000 1.092 416 L CA -2.830 52.080 54.840 0.117 0.000 0.831 416 L CB 0.167 42.295 42.059 0.114 0.000 1.159 416 L HN 0.313 nan 8.230 nan 0.000 0.442 417 P HA 0.095 nan 4.420 nan 0.000 0.273 417 P C -0.268 177.137 177.300 0.175 0.000 1.319 417 P CA -0.232 62.959 63.100 0.153 0.000 0.885 417 P CB 0.406 32.167 31.700 0.101 0.000 1.015 418 c N 4.756 123.487 118.600 0.219 0.000 2.335 418 c HA 0.678 5.248 4.570 0.001 0.000 0.363 418 c C 0.375 174.533 174.090 0.113 0.000 1.198 418 c CA -0.240 56.221 56.329 0.219 0.000 2.279 418 c CB 0.268 42.991 42.510 0.355 0.000 2.334 418 c HN 0.557 nan 8.230 nan 0.000 0.559 419 R N 2.904 123.439 120.500 0.058 0.000 2.584 419 R HA 0.600 4.940 4.340 0.001 0.000 0.276 419 R C -1.681 174.541 176.300 -0.131 0.000 1.046 419 R CA -0.521 55.551 56.100 -0.047 0.000 0.906 419 R CB 0.946 31.233 30.300 -0.021 0.000 1.215 419 R HN 0.773 nan 8.270 nan 0.000 0.449 420 I N 4.420 124.830 120.570 -0.267 0.000 2.331 420 I HA 0.295 4.465 4.170 0.001 0.000 0.292 420 I C 0.013 176.047 176.117 -0.138 0.000 0.998 420 I CA -0.510 60.615 61.300 -0.291 0.000 1.267 420 I CB 1.539 39.284 38.000 -0.424 0.000 1.386 420 I HN 0.460 nan 8.210 nan 0.000 0.476 421 K N 4.870 125.229 120.400 -0.068 0.000 2.166 421 K HA 0.401 4.722 4.320 0.001 0.000 0.245 421 K C -0.165 176.427 176.600 -0.013 0.000 0.967 421 K CA -0.692 55.502 56.287 -0.153 0.000 0.863 421 K CB 2.046 34.264 32.500 -0.471 0.000 1.107 421 K HN 0.391 nan 8.250 nan 0.000 0.436 422 Q N 0.361 120.145 119.800 -0.027 0.000 2.390 422 Q HA 0.261 4.601 4.340 0.001 0.000 0.216 422 Q C -0.045 175.973 176.000 0.029 0.000 0.916 422 Q CA 0.588 56.422 55.803 0.052 0.000 0.911 422 Q CB 0.601 29.362 28.738 0.038 0.000 1.035 422 Q HN 0.467 nan 8.270 nan 0.000 0.541 423 I N 2.824 123.367 120.570 -0.045 0.000 2.297 423 I HA 0.310 4.481 4.170 0.001 0.000 0.291 423 I C -0.359 175.700 176.117 -0.096 0.000 1.033 423 I CA -0.617 60.649 61.300 -0.056 0.000 1.253 423 I CB 0.579 38.542 38.000 -0.062 0.000 1.396 423 I HN 0.135 nan 8.210 nan 0.000 0.476 424 I N 3.370 123.892 120.570 -0.080 0.000 2.934 424 I HA 0.571 4.742 4.170 0.001 0.000 0.306 424 I C -0.887 175.220 176.117 -0.016 0.000 1.110 424 I CA -0.970 60.291 61.300 -0.066 0.000 1.019 424 I CB 2.187 40.085 38.000 -0.170 0.000 1.227 424 I HN 0.290 nan 8.210 nan 0.000 0.434 425 N N 4.740 123.466 118.700 0.044 0.000 2.444 425 N HA 0.392 5.133 4.740 0.001 0.000 0.271 425 N C -0.642 174.919 175.510 0.084 0.000 1.069 425 N CA -0.251 52.831 53.050 0.054 0.000 0.965 425 N CB 1.609 40.140 38.487 0.073 0.000 1.092 425 N HN 0.616 nan 8.380 nan 0.000 0.476 426 M N 1.809 121.439 119.600 0.051 0.000 2.238 426 M HA 0.075 4.556 4.480 0.001 0.000 0.347 426 M C 1.463 177.811 176.300 0.080 0.000 1.173 426 M CA -0.157 55.166 55.300 0.038 0.000 1.147 426 M CB 0.958 33.524 32.600 -0.057 0.000 1.547 426 M HN 0.685 nan 8.290 nan 0.000 0.455 427 W N 1.203 122.514 121.300 0.019 0.000 2.704 427 W HA 0.032 4.693 4.660 0.001 0.000 0.266 427 W C 0.862 177.386 176.519 0.009 0.000 1.266 427 W CA 0.254 57.595 57.345 -0.006 0.000 1.377 427 W CB -0.658 28.765 29.460 -0.061 0.000 1.082 427 W HN 0.603 nan 8.180 nan 0.000 0.608 428 Q N 1.870 121.154 119.800 -0.860 0.000 2.224 428 Q HA -0.098 4.243 4.340 0.001 0.000 0.203 428 Q C 0.267 176.111 176.000 -0.261 0.000 0.970 428 Q CA 1.826 57.163 55.803 -0.777 0.000 0.865 428 Q CB -0.079 28.117 28.738 -0.903 0.000 0.922 428 Q HN 0.597 nan 8.270 nan 0.000 0.445 429 E N -2.521 117.579 120.200 -0.167 0.000 2.431 429 E HA 0.247 4.598 4.350 0.001 0.000 0.287 429 E C -1.255 175.322 176.600 -0.038 0.000 1.032 429 E CA -0.689 55.670 56.400 -0.069 0.000 0.839 429 E CB 0.726 30.379 29.700 -0.079 0.000 1.218 429 E HN -0.209 nan 8.360 nan 0.000 0.424 430 V N 1.480 121.388 119.914 -0.010 0.000 2.625 430 V HA 0.378 4.499 4.120 0.001 0.000 0.305 430 V C 0.821 176.908 176.094 -0.013 0.000 1.055 430 V CA 2.033 64.332 62.300 -0.002 0.000 1.209 430 V CB -0.152 31.672 31.823 0.003 0.000 0.877 430 V HN 0.946 nan 8.190 nan 0.000 0.489 431 G N 4.581 113.376 108.800 -0.009 0.000 2.312 431 G HA2 0.219 4.180 3.960 0.001 0.000 0.347 431 G HA3 0.219 4.180 3.960 0.001 0.000 0.347 431 G C -1.287 173.605 174.900 -0.014 0.000 1.564 431 G CA -1.003 44.088 45.100 -0.016 0.000 0.981 431 G HN 0.654 nan 8.290 nan 0.000 0.678 432 K N -0.505 119.884 120.400 -0.019 0.000 2.109 432 K HA 0.910 5.230 4.320 0.001 0.000 0.243 432 K C 0.267 176.848 176.600 -0.031 0.000 1.006 432 K CA 0.490 56.764 56.287 -0.021 0.000 0.917 432 K CB 1.643 34.127 32.500 -0.026 0.000 1.081 432 K HN 1.590 nan 8.250 nan 0.000 0.468 433 A N 1.368 124.170 122.820 -0.031 0.000 2.513 433 A HA 0.441 4.762 4.320 0.001 0.000 0.296 433 A C -1.569 175.984 177.584 -0.051 0.000 1.052 433 A CA -0.659 51.345 52.037 -0.056 0.000 0.714 433 A CB 0.959 19.957 19.000 -0.002 0.000 1.279 433 A HN 0.654 nan 8.150 nan 0.000 0.397 434 M N 3.104 122.633 119.600 -0.119 0.000 2.149 434 M HA 0.626 5.106 4.480 0.001 0.000 0.342 434 M C -1.872 174.339 176.300 -0.148 0.000 1.068 434 M CA -0.378 54.882 55.300 -0.068 0.000 0.991 434 M CB 0.596 33.160 32.600 -0.061 0.000 1.596 434 M HN 0.711 nan 8.290 nan 0.000 0.439 435 Y N 2.395 122.686 120.300 -0.014 0.000 2.419 435 Y HA 0.635 5.185 4.550 0.001 0.000 0.328 435 Y C 0.599 176.522 175.900 0.039 0.000 1.162 435 Y CA -0.544 57.586 58.100 0.050 0.000 1.174 435 Y CB 1.467 40.026 38.460 0.166 0.000 1.228 435 Y HN 0.764 nan 8.280 nan 0.000 0.473 436 A N 3.768 126.685 122.820 0.161 0.000 2.445 436 A HA 0.398 4.718 4.320 0.001 0.000 0.242 436 A C -2.379 175.270 177.584 0.108 0.000 1.075 436 A CA -1.339 50.755 52.037 0.096 0.000 0.777 436 A CB -0.536 18.503 19.000 0.064 0.000 1.013 436 A HN 0.520 nan 8.150 nan 0.000 0.493 437 P HA 0.106 nan 4.420 nan 0.000 0.270 437 P C -2.351 174.977 177.300 0.048 0.000 1.216 437 P CA -0.357 62.771 63.100 0.047 0.000 0.788 437 P CB -0.315 31.399 31.700 0.024 0.000 0.883 438 P HA 0.091 nan 4.420 nan 0.000 0.272 438 P C 0.119 177.435 177.300 0.026 0.000 1.240 438 P CA 0.247 63.364 63.100 0.028 0.000 0.791 438 P CB 0.279 31.982 31.700 0.005 0.000 0.978 439 I N -2.847 117.741 120.570 0.029 0.000 4.787 439 I HA 0.310 4.480 4.170 0.001 0.000 0.309 439 I C 0.529 176.661 176.117 0.024 0.000 1.169 439 I CA 0.144 61.459 61.300 0.024 0.000 1.360 439 I CB -0.283 37.732 38.000 0.025 0.000 1.591 439 I HN -0.022 nan 8.210 nan 0.000 0.480 440 R N 2.441 122.958 120.500 0.028 0.000 2.537 440 R HA 0.106 4.446 4.340 0.001 0.000 0.281 440 R C 1.451 177.767 176.300 0.026 0.000 0.988 440 R CA 0.944 57.059 56.100 0.026 0.000 1.077 440 R CB 0.614 30.932 30.300 0.029 0.000 0.932 440 R HN 0.541 nan 8.270 nan 0.000 0.409 441 G N 2.854 111.667 108.800 0.021 0.000 2.605 441 G HA2 -0.279 3.681 3.960 0.001 0.000 0.222 441 G HA3 -0.279 3.681 3.960 0.001 0.000 0.222 441 G C 0.474 175.390 174.900 0.027 0.000 1.092 441 G CA 0.882 45.995 45.100 0.021 0.000 0.730 441 G HN 0.646 nan 8.290 nan 0.000 0.588 442 Q N -0.936 118.882 119.800 0.031 0.000 2.443 442 Q HA 0.377 4.718 4.340 0.001 0.000 0.258 442 Q C -2.059 173.970 176.000 0.048 0.000 0.967 442 Q CA -0.778 55.048 55.803 0.039 0.000 0.951 442 Q CB 1.279 30.034 28.738 0.029 0.000 1.459 442 Q HN -0.011 nan 8.270 nan 0.000 0.415 443 I N 3.294 123.912 120.570 0.079 0.000 2.404 443 I HA 0.621 4.792 4.170 0.001 0.000 0.293 443 I C -0.281 175.887 176.117 0.086 0.000 0.992 443 I CA -0.412 60.952 61.300 0.106 0.000 1.149 443 I CB 1.600 39.729 38.000 0.215 0.000 1.315 443 I HN 0.624 nan 8.210 nan 0.000 0.446 444 R N 4.141 124.652 120.500 0.017 0.000 2.604 444 R HA 0.588 4.929 4.340 0.001 0.000 0.270 444 R C -2.048 174.196 176.300 -0.093 0.000 1.052 444 R CA -0.277 55.803 56.100 -0.035 0.000 0.902 444 R CB 2.332 32.618 30.300 -0.024 0.000 1.233 444 R HN 0.684 nan 8.270 nan 0.000 0.455 445 c N 0.551 119.067 118.600 -0.139 0.000 2.783 445 c HA 0.584 5.155 4.570 0.001 0.000 0.312 445 c C -0.391 173.608 174.090 -0.151 0.000 1.182 445 c CA -0.467 55.763 56.329 -0.166 0.000 1.432 445 c CB 2.130 44.493 42.510 -0.244 0.000 1.933 445 c HN 0.724 nan 8.230 nan 0.000 0.473 446 S N 2.327 117.947 115.700 -0.132 0.000 2.524 446 S HA 0.633 5.104 4.470 0.001 0.000 0.227 446 S C -0.419 174.111 174.600 -0.117 0.000 1.304 446 S CA -0.244 57.889 58.200 -0.112 0.000 1.185 446 S CB 0.275 63.429 63.200 -0.077 0.000 1.104 446 S HN 0.874 nan 8.310 nan 0.000 0.475 447 S N 3.693 119.306 115.700 -0.146 0.000 2.664 447 S HA 0.592 5.063 4.470 0.001 0.000 0.304 447 S C -0.667 173.870 174.600 -0.105 0.000 1.099 447 S CA -1.116 57.003 58.200 -0.134 0.000 1.003 447 S CB 0.872 63.960 63.200 -0.187 0.000 1.092 447 S HN 0.623 nan 8.310 nan 0.000 0.525 448 N N 1.176 119.831 118.700 -0.075 0.000 2.426 448 N HA 0.329 5.070 4.740 0.001 0.000 0.257 448 N C -0.812 174.673 175.510 -0.043 0.000 1.002 448 N CA -0.222 52.800 53.050 -0.048 0.000 0.942 448 N CB 0.853 39.325 38.487 -0.024 0.000 1.112 448 N HN 0.584 nan 8.380 nan 0.000 0.499 449 I N 2.323 122.870 120.570 -0.038 0.000 2.453 449 I HA -0.065 4.105 4.170 0.001 0.000 0.300 449 I C 1.689 177.818 176.117 0.020 0.000 1.159 449 I CA 0.200 61.490 61.300 -0.017 0.000 1.379 449 I CB -0.149 37.866 38.000 0.025 0.000 1.460 449 I HN 0.513 nan 8.210 nan 0.000 0.601 450 T N 0.968 115.531 114.554 0.014 0.000 3.107 450 T HA 0.335 4.685 4.350 0.001 0.000 0.249 450 T C 0.689 175.406 174.700 0.027 0.000 1.096 450 T CA 0.095 62.209 62.100 0.023 0.000 1.012 450 T CB 0.350 69.239 68.868 0.035 0.000 0.977 450 T HN 0.654 nan 8.240 nan 0.000 0.527 451 G N 0.216 109.036 108.800 0.035 0.000 2.466 451 G HA2 0.525 4.486 3.960 0.001 0.000 0.291 451 G HA3 0.525 4.486 3.960 0.001 0.000 0.291 451 G C -2.216 172.722 174.900 0.063 0.000 1.460 451 G CA -0.976 44.146 45.100 0.037 0.000 0.791 451 G HN 0.214 nan 8.290 nan 0.000 0.505 452 L N -1.266 120.003 121.223 0.076 0.000 2.183 452 L HA 0.815 5.155 4.340 0.001 0.000 0.253 452 L C -0.358 176.577 176.870 0.108 0.000 1.048 452 L CA -0.897 54.017 54.840 0.123 0.000 0.890 452 L CB 1.766 43.932 42.059 0.177 0.000 1.476 452 L HN 0.498 nan 8.230 nan 0.000 0.455 453 L N 1.609 122.907 121.223 0.125 0.000 2.518 453 L HA 0.519 4.859 4.340 0.001 0.000 0.262 453 L C -1.099 175.849 176.870 0.130 0.000 0.982 453 L CA -0.029 54.873 54.840 0.103 0.000 0.873 453 L CB 1.252 43.342 42.059 0.051 0.000 1.198 453 L HN 0.332 nan 8.230 nan 0.000 0.427 454 L N 1.383 122.722 121.223 0.193 0.000 2.376 454 L HA 0.756 5.097 4.340 0.001 0.000 0.267 454 L C 0.330 177.329 176.870 0.215 0.000 1.035 454 L CA -0.576 54.423 54.840 0.265 0.000 0.800 454 L CB 2.012 44.338 42.059 0.446 0.000 1.290 454 L HN 0.448 nan 8.230 nan 0.000 0.462 455 T N 0.620 115.295 114.554 0.201 0.000 3.505 455 T HA 0.235 4.586 4.350 0.001 0.000 0.308 455 T C -0.631 174.027 174.700 -0.070 0.000 0.767 455 T CA -0.845 61.296 62.100 0.069 0.000 1.194 455 T CB 0.042 68.925 68.868 0.025 0.000 0.997 455 T HN 0.673 nan 8.240 nan 0.000 0.504 456 R N 2.620 122.939 120.500 -0.302 0.000 2.679 456 R HA 0.441 4.781 4.340 0.001 0.000 0.268 456 R C -0.864 175.177 176.300 -0.432 0.000 1.044 456 R CA -0.411 55.205 56.100 -0.808 0.000 1.105 456 R CB 0.237 29.448 30.300 -1.815 0.000 0.989 456 R HN 0.296 nan 8.270 nan 0.000 0.447 457 D N 2.061 122.232 120.400 -0.382 0.000 2.255 457 D HA 0.096 4.736 4.640 0.001 0.000 0.249 457 D C 1.259 177.436 176.300 -0.206 0.000 1.078 457 D CA -0.012 53.858 54.000 -0.217 0.000 0.896 457 D CB 1.456 42.165 40.800 -0.153 0.000 1.194 457 D HN 0.760 nan 8.370 nan 0.000 0.429 458 G N 1.682 110.404 108.800 -0.129 0.000 2.628 458 G HA2 -0.169 3.792 3.960 0.001 0.000 0.217 458 G HA3 -0.169 3.792 3.960 0.001 0.000 0.217 458 G C 1.187 176.036 174.900 -0.086 0.000 1.240 458 G CA 1.515 46.560 45.100 -0.093 0.000 0.792 458 G HN 0.922 nan 8.290 nan 0.000 0.593 459 G N -0.664 108.094 108.800 -0.070 0.000 2.212 459 G HA2 -0.261 3.699 3.960 0.001 0.000 0.266 459 G HA3 -0.261 3.699 3.960 0.001 0.000 0.266 459 G C 0.683 175.562 174.900 -0.034 0.000 0.978 459 G CA 1.230 46.296 45.100 -0.056 0.000 0.632 459 G HN 1.677 nan 8.290 nan 0.000 0.537 460 K N 0.537 120.920 120.400 -0.029 0.000 3.974 460 K HA -0.163 4.157 4.320 0.001 0.000 0.280 460 K C 0.555 177.149 176.600 -0.010 0.000 0.949 460 K CA 1.430 57.708 56.287 -0.016 0.000 0.817 460 K CB -2.011 30.480 32.500 -0.014 0.000 1.535 460 K HN 0.933 nan 8.250 nan 0.000 0.444 461 D N 0.051 120.448 120.400 -0.005 0.000 2.782 461 D HA -0.240 4.401 4.640 0.001 0.000 0.231 461 D C 0.122 176.423 176.300 0.000 0.000 1.163 461 D CA 1.734 55.736 54.000 0.004 0.000 0.680 461 D CB -1.395 39.411 40.800 0.009 0.000 1.062 461 D HN 0.835 nan 8.370 nan 0.000 0.425 462 T N -1.346 113.203 114.554 -0.008 0.000 2.828 462 T HA 0.300 4.650 4.350 0.001 0.000 0.290 462 T C 0.769 175.467 174.700 -0.004 0.000 1.019 462 T CA -0.826 61.269 62.100 -0.008 0.000 1.031 462 T CB 0.988 69.847 68.868 -0.015 0.000 1.001 462 T HN 0.231 nan 8.240 nan 0.000 0.531 463 N N -0.041 118.658 118.700 -0.003 0.000 2.121 463 N HA 0.075 4.816 4.740 0.001 0.000 0.260 463 N C 0.687 176.199 175.510 0.002 0.000 1.229 463 N CA 0.393 53.444 53.050 0.001 0.000 0.830 463 N CB -0.405 38.081 38.487 -0.002 0.000 1.073 463 N HN 1.046 nan 8.380 nan 0.000 0.465 464 G N -0.026 108.781 108.800 0.011 0.000 2.326 464 G HA2 0.218 4.178 3.960 0.001 0.000 0.286 464 G HA3 0.218 4.178 3.960 0.001 0.000 0.286 464 G C -0.001 174.905 174.900 0.010 0.000 0.927 464 G CA 0.248 45.360 45.100 0.019 0.000 1.553 464 G HN 0.851 nan 8.290 nan 0.000 0.415 465 T N 1.945 116.500 114.554 0.002 0.000 4.205 465 T HA 0.127 4.477 4.350 0.001 0.000 0.219 465 T C -0.123 174.563 174.700 -0.023 0.000 0.975 465 T CA -0.584 61.512 62.100 -0.007 0.000 1.484 465 T CB -0.211 68.648 68.868 -0.015 0.000 0.805 465 T HN 0.412 nan 8.240 nan 0.000 0.616 466 E N 1.934 122.128 120.200 -0.010 0.000 2.417 466 E HA 0.147 4.497 4.350 0.001 0.000 0.261 466 E C 0.086 176.656 176.600 -0.050 0.000 1.000 466 E CA 0.286 56.635 56.400 -0.086 0.000 0.919 466 E CB 0.703 30.407 29.700 0.008 0.000 0.955 466 E HN 0.644 nan 8.360 nan 0.000 0.455 467 I N 4.636 125.071 120.570 -0.225 0.000 2.328 467 I HA 0.193 4.364 4.170 0.001 0.000 0.287 467 I C -0.385 175.585 176.117 -0.245 0.000 1.012 467 I CA -0.596 60.644 61.300 -0.101 0.000 1.195 467 I CB 0.363 38.329 38.000 -0.056 0.000 1.350 467 I HN 0.203 nan 8.210 nan 0.000 0.464 468 F N 5.722 125.651 119.950 -0.034 0.000 2.421 468 F HA 0.612 5.140 4.527 0.001 0.000 0.337 468 F C 0.483 176.482 175.800 0.331 0.000 1.105 468 F CA -0.582 57.492 58.000 0.123 0.000 1.049 468 F CB 1.195 40.297 39.000 0.170 0.000 1.139 468 F HN 0.321 nan 8.300 nan 0.000 0.479 469 R N 1.954 122.650 120.500 0.327 0.000 2.867 469 R HA 0.541 4.881 4.340 0.001 0.000 0.268 469 R C -2.821 173.502 176.300 0.038 0.000 1.014 469 R CA -2.209 54.011 56.100 0.200 0.000 0.946 469 R CB 1.285 31.628 30.300 0.071 0.000 1.208 469 R HN 0.278 nan 8.270 nan 0.000 0.477 470 P HA 0.098 nan 4.420 nan 0.000 0.269 470 P C -0.496 176.709 177.300 -0.159 0.000 1.217 470 P CA 0.164 62.977 63.100 -0.477 0.000 0.783 470 P CB 0.719 31.896 31.700 -0.870 0.000 0.898 471 G N -0.775 107.973 108.800 -0.087 0.000 2.846 471 G HA2 0.671 4.632 3.960 0.001 0.000 0.299 471 G HA3 0.671 4.632 3.960 0.001 0.000 0.299 471 G C -0.494 174.396 174.900 -0.017 0.000 1.242 471 G CA -0.314 44.770 45.100 -0.028 0.000 0.800 471 G HN 0.801 nan 8.290 nan 0.000 0.538 472 G N -2.704 106.091 108.800 -0.008 0.000 2.712 472 G HA2 0.486 4.446 3.960 0.001 0.000 0.683 472 G HA3 0.486 4.446 3.960 0.001 0.000 0.683 472 G C 0.804 175.688 174.900 -0.027 0.000 1.320 472 G CA 0.972 46.058 45.100 -0.024 0.000 0.847 472 G HN 2.629 nan 8.290 nan 0.000 0.553 473 G N -1.192 107.578 108.800 -0.049 0.000 2.672 473 G HA2 0.191 4.151 3.960 0.001 0.000 0.197 473 G HA3 0.191 4.151 3.960 0.001 0.000 0.197 473 G C 0.068 174.955 174.900 -0.021 0.000 0.995 473 G CA 0.869 45.955 45.100 -0.023 0.000 0.754 473 G HN 1.692 nan 8.290 nan 0.000 0.505 474 D N 1.940 122.303 120.400 -0.061 0.000 2.540 474 D HA 0.411 5.051 4.640 0.001 0.000 0.251 474 D C 2.135 178.312 176.300 -0.206 0.000 1.159 474 D CA -0.741 53.214 54.000 -0.075 0.000 0.974 474 D CB -0.094 40.672 40.800 -0.058 0.000 0.996 474 D HN 0.011 nan 8.370 nan 0.000 0.512 475 M N 1.211 120.651 119.600 -0.267 0.000 2.501 475 M HA -0.227 4.253 4.480 0.001 0.000 0.256 475 M C 1.577 177.247 176.300 -1.051 0.000 1.091 475 M CA 1.177 56.071 55.300 -0.676 0.000 1.030 475 M CB -0.736 31.462 32.600 -0.669 0.000 1.380 475 M HN 0.396 nan 8.290 nan 0.000 0.452 476 R N 0.027 120.174 120.500 -0.589 0.000 2.092 476 R HA -0.109 4.232 4.340 0.001 0.000 0.231 476 R C 1.735 177.862 176.300 -0.288 0.000 1.119 476 R CA 1.119 56.962 56.100 -0.428 0.000 0.970 476 R CB -0.297 29.859 30.300 -0.239 0.000 0.864 476 R HN 0.427 nan 8.270 nan 0.000 0.440 477 D N 0.590 120.849 120.400 -0.235 0.000 2.158 477 D HA -0.157 4.484 4.640 0.001 0.000 0.197 477 D C 1.424 177.625 176.300 -0.165 0.000 0.995 477 D CA 1.062 54.980 54.000 -0.136 0.000 0.846 477 D CB -0.300 40.458 40.800 -0.070 0.000 0.941 477 D HN 0.326 nan 8.370 nan 0.000 0.456 478 N N 0.168 118.669 118.700 -0.333 0.000 2.000 478 N HA -0.181 4.559 4.740 0.001 0.000 0.198 478 N C 2.100 177.617 175.510 0.013 0.000 1.057 478 N CA 1.293 54.170 53.050 -0.289 0.000 0.858 478 N CB -0.462 37.591 38.487 -0.724 0.000 1.057 478 N HN 0.378 nan 8.380 nan 0.000 0.423 479 W N 1.406 122.722 121.300 0.026 0.000 2.290 479 W HA -0.237 4.423 4.660 0.001 0.000 0.318 479 W C 2.718 179.262 176.519 0.042 0.000 1.248 479 W CA 0.143 57.517 57.345 0.048 0.000 1.263 479 W CB -0.394 29.104 29.460 0.064 0.000 1.147 479 W HN 0.144 nan 8.180 nan 0.000 0.494 480 R N 0.742 121.354 120.500 0.188 0.000 2.097 480 R HA -0.219 4.121 4.340 0.001 0.000 0.236 480 R C 2.488 178.852 176.300 0.107 0.000 1.135 480 R CA 2.422 58.551 56.100 0.048 0.000 0.934 480 R CB -1.283 28.921 30.300 -0.160 0.000 0.846 480 R HN 0.217 nan 8.270 nan 0.000 0.431 481 S N 0.610 116.352 115.700 0.071 0.000 2.461 481 S HA -0.177 4.293 4.470 0.001 0.000 0.246 481 S C 1.454 176.264 174.600 0.349 0.000 1.007 481 S CA 1.424 59.701 58.200 0.128 0.000 0.976 481 S CB -0.128 63.110 63.200 0.064 0.000 0.763 481 S HN 0.262 nan 8.310 nan 0.000 0.508 482 E N 0.762 121.169 120.200 0.346 0.000 2.340 482 E HA 0.313 4.663 4.350 0.001 0.000 0.198 482 E C 1.577 178.405 176.600 0.379 0.000 0.961 482 E CA 0.414 57.055 56.400 0.402 0.000 0.905 482 E CB -0.084 29.818 29.700 0.337 0.000 0.884 482 E HN 0.604 nan 8.360 nan 0.000 0.491 483 L N 0.857 122.256 121.223 0.293 0.000 2.728 483 L HA 0.127 4.467 4.340 0.001 0.000 0.238 483 L C 1.760 178.769 176.870 0.232 0.000 1.143 483 L CA -0.160 54.838 54.840 0.263 0.000 0.937 483 L CB -0.401 41.745 42.059 0.146 0.000 1.225 483 L HN 0.095 nan 8.230 nan 0.000 0.507 484 Y N 1.691 122.093 120.300 0.171 0.000 2.348 484 Y HA -0.256 4.294 4.550 0.001 0.000 0.285 484 Y C 1.750 177.774 175.900 0.206 0.000 1.173 484 Y CA 1.302 59.433 58.100 0.052 0.000 1.263 484 Y CB -0.717 37.709 38.460 -0.057 0.000 0.974 484 Y HN 0.269 nan 8.280 nan 0.000 0.547 485 K N -1.507 118.586 120.400 -0.512 0.000 2.593 485 K HA 0.279 4.599 4.320 0.001 0.000 0.208 485 K C -1.423 175.058 176.600 -0.199 0.000 1.051 485 K CA -0.451 55.642 56.287 -0.324 0.000 1.111 485 K CB -0.214 31.832 32.500 -0.756 0.000 0.849 485 K HN 0.277 nan 8.250 nan 0.000 0.479 486 Y N 1.590 121.994 120.300 0.173 0.000 2.633 486 Y HA 0.420 4.971 4.550 0.001 0.000 0.339 486 Y C -0.892 175.122 175.900 0.190 0.000 1.045 486 Y CA -0.965 57.269 58.100 0.223 0.000 1.098 486 Y CB 2.184 40.705 38.460 0.103 0.000 1.296 486 Y HN 0.106 nan 8.280 nan 0.000 0.494 487 K N -0.534 120.012 120.400 0.243 0.000 2.545 487 K HA 0.472 4.792 4.320 0.001 0.000 0.291 487 K C -2.245 174.361 176.600 0.010 0.000 1.093 487 K CA -0.696 55.579 56.287 -0.021 0.000 1.012 487 K CB 0.799 33.040 32.500 -0.432 0.000 1.354 487 K HN 0.520 nan 8.250 nan 0.000 0.460 488 V N 3.089 123.027 119.914 0.039 0.000 2.649 488 V HA 0.677 4.798 4.120 0.001 0.000 0.292 488 V C -0.830 175.312 176.094 0.080 0.000 1.055 488 V CA -0.011 62.341 62.300 0.086 0.000 1.023 488 V CB 1.398 33.276 31.823 0.093 0.000 0.992 488 V HN 0.651 nan 8.190 nan 0.000 0.480 489 V N 6.204 126.174 119.914 0.092 0.000 2.925 489 V HA 0.511 4.631 4.120 0.001 0.000 0.311 489 V C -0.211 175.832 176.094 -0.084 0.000 1.104 489 V CA -1.028 61.283 62.300 0.018 0.000 0.954 489 V CB 2.118 33.917 31.823 -0.040 0.000 1.022 489 V HN 1.180 nan 8.190 nan 0.000 0.427 490 K N 4.235 124.485 120.400 -0.250 0.000 2.382 490 K HA 0.238 4.559 4.320 0.001 0.000 0.275 490 K C -0.127 176.268 176.600 -0.341 0.000 1.009 490 K CA -0.394 55.544 56.287 -0.581 0.000 0.970 490 K CB 0.932 33.135 32.500 -0.494 0.000 0.934 490 K HN 0.620 nan 8.250 nan 0.000 0.479 491 I N 3.181 123.531 120.570 -0.367 0.000 2.813 491 I HA -0.062 4.109 4.170 0.001 0.000 0.287 491 I C 0.171 176.205 176.117 -0.138 0.000 1.196 491 I CA 0.758 61.945 61.300 -0.188 0.000 1.421 491 I CB 0.491 38.402 38.000 -0.149 0.000 1.365 491 I HN 0.708 nan 8.210 nan 0.000 0.591 492 E N 0.000 120.149 120.200 -0.085 0.000 2.725 492 E HA 0.000 4.350 4.350 0.001 0.000 0.291 492 E CA 0.000 56.363 56.400 -0.062 0.000 0.976 492 E CB 0.000 29.672 29.700 -0.047 0.000 0.812 492 E HN 0.000 nan 8.360 nan 0.000 0.440