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 2ny6_1_A DATA FIRST_RESID 83 DATA SEQUENCE EVVLVNVTEN FNWcKNDMVE QMHEDIcSLW DQSLKPcVKL cPLcVGAXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XGScNTSVIT QAcPKVSFEP IPIHYcAPAG FAILKcNNKT DATA SEQUENCE FNGTGPcTNV STVQcTHGIR PVVSSQLLLN GSLAEEEVVI RScNFTDNAK DATA SEQUENCE TIIVQLNTSV EINcTGAXXX XXXXXXXXXX XXXXXXXXXX XXXXXXGHcN DATA SEQUENCE IARAKWNNTL KQIASKLREQ FGNNKTIIFK QSSGGDPEIV THWFNcGGEF DATA SEQUENCE FYcNSTQLFN STWFNXXXXX XXXXXXXGSD TITLPcRIKQ IINMWcKVcK DATA SEQUENCE AMYAPPISGQ IRcSSNITGL LLTRDGGNSN NESEIFRPGG GDMRDNWRSE DATA SEQUENCE LYKYKVVKI 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 E HA 0.000 nan 4.350 nan 0.000 0.291 83 E C 0.000 176.613 176.600 0.022 0.000 1.382 83 E CA 0.000 56.417 56.400 0.028 0.000 0.976 83 E CB 0.000 29.722 29.700 0.036 0.000 0.812 84 V N -0.715 119.211 119.914 0.020 0.000 2.812 84 V HA 0.342 4.462 4.120 -0.000 0.000 0.280 84 V C -0.560 175.541 176.094 0.012 0.000 1.324 84 V CA -1.094 61.215 62.300 0.015 0.000 0.933 84 V CB 1.026 32.859 31.823 0.018 0.000 1.091 84 V HN -0.088 nan 8.190 nan 0.000 0.455 85 V N 5.246 125.163 119.914 0.005 0.000 2.267 85 V HA 0.314 4.434 4.120 -0.000 0.000 0.254 85 V C 0.356 176.452 176.094 0.003 0.000 1.144 85 V CA -0.312 61.988 62.300 -0.000 0.000 0.992 85 V CB 0.324 32.142 31.823 -0.008 0.000 1.199 85 V HN 0.718 nan 8.190 nan 0.000 0.493 86 L N 5.902 127.130 121.223 0.009 0.000 2.584 86 L HA 0.125 4.465 4.340 -0.000 0.000 0.272 86 L C 0.423 177.298 176.870 0.008 0.000 1.195 86 L CA 0.847 55.694 54.840 0.011 0.000 0.920 86 L CB 0.271 42.341 42.059 0.018 0.000 1.173 86 L HN 0.579 nan 8.230 nan 0.000 0.489 87 V N 0.856 120.775 119.914 0.007 0.000 2.834 87 V HA 0.600 4.720 4.120 -0.000 0.000 0.313 87 V C 0.694 176.793 176.094 0.009 0.000 1.060 87 V CA -0.979 61.325 62.300 0.006 0.000 0.989 87 V CB 1.497 33.322 31.823 0.003 0.000 1.041 87 V HN 0.807 nan 8.190 nan 0.000 0.459 88 N N -0.052 118.653 118.700 0.009 0.000 2.721 88 N HA -0.138 4.602 4.740 -0.000 0.000 0.249 88 N C -0.621 174.899 175.510 0.016 0.000 1.072 88 N CA 1.130 54.187 53.050 0.012 0.000 0.710 88 N CB -1.158 37.335 38.487 0.010 0.000 0.993 88 N HN 0.804 nan 8.380 nan 0.000 0.547 89 V N -0.222 119.704 119.914 0.020 0.000 2.577 89 V HA 0.559 4.679 4.120 -0.000 0.000 0.303 89 V C 0.201 176.318 176.094 0.038 0.000 1.042 89 V CA -0.591 61.724 62.300 0.026 0.000 0.872 89 V CB 2.277 34.114 31.823 0.024 0.000 0.998 89 V HN 0.195 nan 8.190 nan 0.000 0.423 90 T N 4.101 118.682 114.554 0.044 0.000 2.809 90 T HA 0.499 4.849 4.350 -0.000 0.000 0.284 90 T C -0.958 173.786 174.700 0.073 0.000 0.992 90 T CA -0.420 61.719 62.100 0.064 0.000 0.957 90 T CB 0.972 69.875 68.868 0.059 0.000 0.942 90 T HN 0.625 nan 8.240 nan 0.000 0.439 91 E N 4.176 124.444 120.200 0.115 0.000 2.185 91 E HA 0.328 4.678 4.350 -0.000 0.000 0.261 91 E C -0.617 176.074 176.600 0.151 0.000 0.879 91 E CA -0.757 55.693 56.400 0.083 0.000 0.756 91 E CB 1.212 30.929 29.700 0.029 0.000 1.152 91 E HN 0.644 nan 8.360 nan 0.000 0.416 92 N N 2.334 121.080 118.700 0.076 0.000 2.454 92 N HA 0.129 4.869 4.740 -0.000 0.000 0.260 92 N C -0.741 174.822 175.510 0.089 0.000 1.218 92 N CA 0.563 53.695 53.050 0.136 0.000 0.904 92 N CB 0.138 38.674 38.487 0.081 0.000 1.065 92 N HN 0.254 nan 8.380 nan 0.000 0.462 93 F N 0.719 120.784 119.950 0.192 0.000 2.546 93 F HA 0.408 4.935 4.527 0.000 0.000 0.320 93 F C 0.499 176.433 175.800 0.225 0.000 1.076 93 F CA -0.859 57.283 58.000 0.236 0.000 0.928 93 F CB 1.578 40.805 39.000 0.379 0.000 1.189 93 F HN 0.276 nan 8.300 nan 0.000 0.465 94 N N 2.536 121.486 118.700 0.416 0.000 2.685 94 N HA 0.044 4.784 4.740 -0.000 0.000 0.252 94 N C 0.364 176.089 175.510 0.357 0.000 1.261 94 N CA -0.597 52.662 53.050 0.348 0.000 0.768 94 N CB 0.468 39.059 38.487 0.174 0.000 1.304 94 N HN 0.737 nan 8.380 nan 0.000 0.536 95 W N 1.795 123.213 121.300 0.198 0.000 2.389 95 W HA -0.076 4.584 4.660 0.000 0.000 0.267 95 W C 0.420 177.022 176.519 0.137 0.000 1.219 95 W CA 0.171 57.639 57.345 0.204 0.000 1.189 95 W CB -1.739 27.848 29.460 0.212 0.000 1.129 95 W HN 0.392 nan 8.180 nan 0.000 0.581 96 c N 0.929 119.266 118.600 -0.437 0.000 2.562 96 c HA 0.162 4.732 4.570 -0.000 0.000 0.266 96 c C 1.145 175.115 174.090 -0.200 0.000 1.382 96 c CA 0.399 56.407 56.329 -0.536 0.000 1.742 96 c CB -1.184 40.945 42.510 -0.635 0.000 1.812 96 c HN 0.133 nan 8.230 nan 0.000 0.559 97 K N 1.681 122.045 120.400 -0.060 0.000 3.029 97 K HA 0.164 4.484 4.320 -0.000 0.000 0.169 97 K C -0.852 175.777 176.600 0.048 0.000 1.090 97 K CA 0.006 56.288 56.287 -0.009 0.000 0.883 97 K CB 0.192 32.691 32.500 -0.003 0.000 1.080 97 K HN 0.099 nan 8.250 nan 0.000 0.613 98 N N 1.708 120.452 118.700 0.074 0.000 2.446 98 N HA 0.100 4.840 4.740 -0.000 0.000 0.265 98 N C 0.193 175.761 175.510 0.096 0.000 0.975 98 N CA -0.207 52.910 53.050 0.113 0.000 0.928 98 N CB 1.350 39.953 38.487 0.193 0.000 1.160 98 N HN 0.185 nan 8.380 nan 0.000 0.495 99 D N 3.371 123.808 120.400 0.060 0.000 2.158 99 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 99 D C 1.652 178.020 176.300 0.112 0.000 0.995 99 D CA 1.433 55.462 54.000 0.048 0.000 0.846 99 D CB 0.266 41.048 40.800 -0.029 0.000 0.941 99 D HN 0.666 nan 8.370 nan 0.000 0.456 100 M N 0.091 119.770 119.600 0.130 0.000 2.108 100 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 100 M C 2.438 178.907 176.300 0.281 0.000 1.066 100 M CA 0.923 56.364 55.300 0.234 0.000 1.107 100 M CB -0.442 32.148 32.600 -0.016 0.000 1.356 100 M HN -0.121 nan 8.290 nan 0.000 0.406 101 V N 0.835 120.895 119.914 0.245 0.000 2.252 101 V HA -0.268 3.852 4.120 -0.000 0.000 0.249 101 V C 2.499 178.794 176.094 0.334 0.000 1.056 101 V CA 2.018 64.509 62.300 0.319 0.000 1.022 101 V CB -0.817 31.170 31.823 0.273 0.000 0.641 101 V HN 0.447 nan 8.190 nan 0.000 0.445 102 E N -0.129 120.212 120.200 0.235 0.000 2.085 102 E HA -0.297 4.053 4.350 -0.000 0.000 0.194 102 E C 2.123 178.858 176.600 0.225 0.000 0.994 102 E CA 1.778 58.310 56.400 0.219 0.000 0.801 102 E CB -0.424 29.355 29.700 0.132 0.000 0.743 102 E HN 0.684 nan 8.360 nan 0.000 0.453 103 Q N 0.639 120.543 119.800 0.173 0.000 1.993 103 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 103 Q C 2.182 178.211 176.000 0.049 0.000 0.984 103 Q CA 1.676 57.532 55.803 0.089 0.000 0.837 103 Q CB -0.423 28.358 28.738 0.072 0.000 0.902 103 Q HN 0.157 nan 8.270 nan 0.000 0.423 104 M N -0.496 119.152 119.600 0.080 0.000 2.088 104 M HA -0.222 4.258 4.480 -0.000 0.000 0.256 104 M C 2.000 178.238 176.300 -0.104 0.000 1.071 104 M CA 2.408 57.655 55.300 -0.088 0.000 1.097 104 M CB -0.788 31.730 32.600 -0.136 0.000 1.315 104 M HN 0.557 nan 8.290 nan 0.000 0.406 105 H N -0.361 118.733 119.070 0.041 0.000 2.353 105 H HA -0.154 4.402 4.556 -0.000 0.000 0.298 105 H C 1.823 177.316 175.328 0.275 0.000 1.103 105 H CA 2.512 58.771 56.048 0.350 0.000 1.293 105 H CB -0.073 30.025 29.762 0.561 0.000 1.372 105 H HN 0.576 nan 8.280 nan 0.000 0.501 106 E N -0.589 119.725 120.200 0.190 0.000 2.150 106 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 106 E C 1.609 178.228 176.600 0.032 0.000 0.985 106 E CA 1.050 57.503 56.400 0.088 0.000 0.814 106 E CB 0.115 29.865 29.700 0.084 0.000 0.752 106 E HN 0.603 nan 8.360 nan 0.000 0.466 107 D N 0.502 120.900 120.400 -0.003 0.000 2.097 107 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 107 D C 1.948 178.264 176.300 0.026 0.000 0.984 107 D CA 0.710 54.691 54.000 -0.031 0.000 0.826 107 D CB -0.115 40.617 40.800 -0.112 0.000 0.973 107 D HN 0.079 nan 8.370 nan 0.000 0.460 108 I N 0.990 121.580 120.570 0.034 0.000 2.058 108 I HA -0.293 3.877 4.170 -0.000 0.000 0.235 108 I C 2.711 179.127 176.117 0.499 0.000 1.053 108 I CA 0.750 62.188 61.300 0.229 0.000 1.313 108 I CB -1.522 36.575 38.000 0.161 0.000 1.039 108 I HN 0.128 nan 8.210 nan 0.000 0.396 109 c N 0.482 119.337 118.600 0.426 0.000 2.369 109 c HA -0.269 4.301 4.570 -0.000 0.000 0.273 109 c C 3.447 177.644 174.090 0.178 0.000 1.172 109 c CA 2.015 58.449 56.329 0.174 0.000 1.791 109 c CB -1.129 41.263 42.510 -0.198 0.000 2.086 109 c HN 0.640 nan 8.230 nan 0.000 0.459 110 S N -0.748 115.024 115.700 0.119 0.000 2.399 110 S HA -0.143 4.327 4.470 -0.000 0.000 0.231 110 S C 1.640 176.308 174.600 0.113 0.000 1.022 110 S CA 1.369 59.620 58.200 0.084 0.000 0.983 110 S CB -0.280 62.944 63.200 0.041 0.000 0.803 110 S HN 0.484 nan 8.310 nan 0.000 0.480 111 L N -0.062 121.247 121.223 0.143 0.000 2.131 111 L HA 0.218 4.558 4.340 -0.000 0.000 0.206 111 L C 1.697 178.606 176.870 0.066 0.000 1.087 111 L CA 1.470 56.349 54.840 0.064 0.000 0.767 111 L CB -0.807 41.248 42.059 -0.007 0.000 0.917 111 L HN 0.435 nan 8.230 nan 0.000 0.441 112 W N 0.271 121.661 121.300 0.151 0.000 2.354 112 W HA -0.172 4.488 4.660 -0.000 0.000 0.315 112 W C 2.433 179.041 176.519 0.147 0.000 1.206 112 W CA 1.377 58.834 57.345 0.188 0.000 1.290 112 W CB -0.682 28.986 29.460 0.348 0.000 1.152 112 W HN 0.130 nan 8.180 nan 0.000 0.489 113 D N -0.078 120.519 120.400 0.329 0.000 2.157 113 D HA -0.252 4.388 4.640 -0.000 0.000 0.191 113 D C 1.881 178.272 176.300 0.152 0.000 1.004 113 D CA 1.928 56.045 54.000 0.196 0.000 0.854 113 D CB -0.709 40.155 40.800 0.107 0.000 0.936 113 D HN 0.393 nan 8.370 nan 0.000 0.446 114 Q N -0.030 119.841 119.800 0.118 0.000 2.119 114 Q HA -0.037 4.303 4.340 -0.000 0.000 0.201 114 Q C 2.262 178.314 176.000 0.087 0.000 0.972 114 Q CA 1.047 56.899 55.803 0.082 0.000 0.847 114 Q CB 0.119 28.888 28.738 0.052 0.000 0.903 114 Q HN 0.115 nan 8.270 nan 0.000 0.433 115 S N 0.083 115.834 115.700 0.084 0.000 2.421 115 S HA 0.112 4.582 4.470 -0.000 0.000 0.224 115 S C 0.687 175.343 174.600 0.094 0.000 1.035 115 S CA 0.215 58.456 58.200 0.068 0.000 0.953 115 S CB 0.391 63.563 63.200 -0.046 0.000 0.810 115 S HN 0.214 nan 8.310 nan 0.000 0.497 116 L N 2.428 123.749 121.223 0.165 0.000 2.433 116 L HA 0.410 4.750 4.340 -0.000 0.000 0.256 116 L C -1.393 175.701 176.870 0.373 0.000 1.063 116 L CA -0.294 54.688 54.840 0.238 0.000 0.922 116 L CB 0.674 42.911 42.059 0.297 0.000 1.238 116 L HN -0.051 nan 8.230 nan 0.000 0.466 117 K N 4.439 125.022 120.400 0.304 0.000 2.156 117 K HA 0.521 4.841 4.320 -0.000 0.000 0.271 117 K C -2.456 174.304 176.600 0.267 0.000 0.995 117 K CA -1.632 54.814 56.287 0.265 0.000 0.890 117 K CB 1.324 33.914 32.500 0.149 0.000 1.073 117 K HN 0.227 nan 8.250 nan 0.000 0.454 118 P HA 0.174 nan 4.420 nan 0.000 0.278 118 P C -0.063 177.156 177.300 -0.136 0.000 1.258 118 P CA -0.674 62.243 63.100 -0.305 0.000 0.811 118 P CB 0.762 32.048 31.700 -0.691 0.000 1.063 119 c N -0.634 117.876 118.600 -0.149 0.000 2.495 119 c HA 0.212 4.782 4.570 -0.000 0.000 0.275 119 c C 0.840 174.881 174.090 -0.081 0.000 1.392 119 c CA 0.023 56.312 56.329 -0.066 0.000 1.766 119 c CB -0.521 41.968 42.510 -0.035 0.000 1.933 119 c HN 0.285 nan 8.230 nan 0.000 0.519 120 V N 0.718 120.552 119.914 -0.134 0.000 2.851 120 V HA 0.405 4.525 4.120 -0.000 0.000 0.307 120 V C -0.806 175.204 176.094 -0.140 0.000 1.129 120 V CA -0.665 61.571 62.300 -0.108 0.000 0.932 120 V CB 2.105 33.878 31.823 -0.084 0.000 1.024 120 V HN 0.260 nan 8.190 nan 0.000 0.426 121 K N 4.817 125.157 120.400 -0.099 0.000 2.604 121 K HA 0.606 4.926 4.320 -0.000 0.000 0.247 121 K C -1.614 174.946 176.600 -0.067 0.000 0.956 121 K CA -0.577 55.654 56.287 -0.094 0.000 0.896 121 K CB 1.252 33.706 32.500 -0.076 0.000 1.131 121 K HN 0.643 nan 8.250 nan 0.000 0.440 122 L N 4.962 126.145 121.223 -0.067 0.000 2.257 122 L HA 0.444 4.784 4.340 -0.000 0.000 0.290 122 L C -0.802 176.038 176.870 -0.049 0.000 1.044 122 L CA -0.888 53.920 54.840 -0.053 0.000 0.810 122 L CB 1.224 43.252 42.059 -0.051 0.000 1.193 122 L HN 0.725 nan 8.230 nan 0.000 0.425 123 c N 4.601 123.176 118.600 -0.041 0.000 2.397 123 c HA 0.465 5.035 4.570 -0.000 0.000 0.325 123 c C -2.276 171.796 174.090 -0.031 0.000 1.201 123 c CA -1.463 54.843 56.329 -0.038 0.000 1.377 123 c CB 1.944 44.432 42.510 -0.037 0.000 2.038 123 c HN 0.491 nan 8.230 nan 0.000 0.457 124 P HA 0.436 nan 4.420 nan 0.000 0.290 124 P C -1.173 176.115 177.300 -0.021 0.000 1.276 124 P CA -0.306 62.779 63.100 -0.025 0.000 0.808 124 P CB 1.409 33.093 31.700 -0.025 0.000 0.966 125 L N 4.179 125.391 121.223 -0.018 0.000 2.362 125 L HA 0.493 4.833 4.340 -0.000 0.000 0.275 125 L C -0.468 176.394 176.870 -0.013 0.000 0.998 125 L CA -0.649 54.183 54.840 -0.014 0.000 0.820 125 L CB 1.052 43.104 42.059 -0.013 0.000 1.270 125 L HN 0.475 nan 8.230 nan 0.000 0.415 126 c N 2.132 120.725 118.600 -0.011 0.000 3.156 126 c HA 0.727 5.297 4.570 -0.000 0.000 0.376 126 c C 1.591 175.676 174.090 -0.009 0.000 2.688 126 c CA 0.185 56.508 56.329 -0.011 0.000 1.735 126 c CB 1.418 43.921 42.510 -0.011 0.000 2.823 126 c HN 0.856 nan 8.230 nan 0.000 0.483 127 V N 1.008 120.917 119.914 -0.008 0.000 0.671 127 V HA -0.310 3.810 4.120 -0.000 0.000 0.092 127 V C 1.278 177.368 176.094 -0.007 0.000 1.074 127 V CA 2.068 64.364 62.300 -0.007 0.000 3.161 127 V CB -2.420 29.399 31.823 -0.006 0.000 0.350 127 V HN 1.717 nan 8.190 nan 0.000 0.326 128 G N 1.173 109.969 108.800 -0.006 0.000 2.937 128 G HA2 0.307 4.267 3.960 -0.000 0.000 0.313 128 G HA3 0.307 4.267 3.960 -0.000 0.000 0.313 128 G C 0.458 175.354 174.900 -0.006 0.000 0.257 128 G CA 1.347 46.444 45.100 -0.006 0.000 1.209 128 G HN 2.673 nan 8.290 nan 0.000 0.211 195 S N -0.773 114.922 115.700 -0.009 0.000 2.629 195 S HA 0.357 4.827 4.470 -0.000 0.000 0.250 195 S C -0.110 174.484 174.600 -0.011 0.000 1.318 195 S CA 0.651 58.845 58.200 -0.010 0.000 0.970 195 S CB 0.676 63.870 63.200 -0.010 0.000 0.996 195 S HN 0.552 nan 8.310 nan 0.000 0.563 196 c N 2.720 121.313 118.600 -0.012 0.000 3.188 196 c HA 0.346 4.915 4.570 -0.000 0.000 0.230 196 c C 0.063 174.145 174.090 -0.014 0.000 1.239 196 c CA -1.175 55.147 56.329 -0.013 0.000 1.494 196 c CB -1.324 41.178 42.510 -0.014 0.000 1.798 196 c HN 0.692 nan 8.230 nan 0.000 0.458 197 N N 2.528 121.221 118.700 -0.013 0.000 2.291 197 N HA -0.053 4.687 4.740 -0.000 0.000 0.281 197 N C 0.333 175.833 175.510 -0.015 0.000 1.388 197 N CA 0.816 53.859 53.050 -0.013 0.000 0.920 197 N CB 0.551 39.031 38.487 -0.011 0.000 1.276 197 N HN 0.580 nan 8.380 nan 0.000 0.493 198 T N 1.564 116.107 114.554 -0.017 0.000 2.814 198 T HA 0.090 4.440 4.350 -0.000 0.000 0.297 198 T C 0.643 175.331 174.700 -0.021 0.000 0.956 198 T CA -0.403 61.685 62.100 -0.021 0.000 1.123 198 T CB 0.622 69.476 68.868 -0.023 0.000 0.902 198 T HN 0.388 nan 8.240 nan 0.000 0.528 199 S N 3.195 118.882 115.700 -0.022 0.000 2.499 199 S HA 0.512 4.982 4.470 -0.000 0.000 0.279 199 S C -0.405 174.180 174.600 -0.025 0.000 1.219 199 S CA -0.706 57.481 58.200 -0.021 0.000 1.062 199 S CB 0.389 63.577 63.200 -0.019 0.000 0.978 199 S HN 0.446 nan 8.310 nan 0.000 0.489 200 V N 5.857 125.756 119.914 -0.024 0.000 2.495 200 V HA 0.547 4.667 4.120 -0.000 0.000 0.298 200 V C -0.696 175.383 176.094 -0.026 0.000 1.031 200 V CA -0.679 61.604 62.300 -0.028 0.000 0.871 200 V CB 1.388 33.195 31.823 -0.027 0.000 0.988 200 V HN 0.878 nan 8.190 nan 0.000 0.432 201 I N 3.546 124.098 120.570 -0.030 0.000 2.382 201 I HA 0.425 4.595 4.170 -0.000 0.000 0.286 201 I C 0.243 176.341 176.117 -0.031 0.000 1.002 201 I CA 0.138 61.423 61.300 -0.026 0.000 1.135 201 I CB 2.019 40.006 38.000 -0.022 0.000 1.288 201 I HN 0.508 nan 8.210 nan 0.000 0.448 202 T N 6.848 121.387 114.554 -0.024 0.000 2.795 202 T HA 0.641 4.991 4.350 -0.000 0.000 0.282 202 T C -0.534 174.158 174.700 -0.013 0.000 0.980 202 T CA -0.639 61.447 62.100 -0.023 0.000 1.012 202 T CB 0.937 69.793 68.868 -0.019 0.000 0.936 202 T HN 0.677 nan 8.240 nan 0.000 0.457 203 Q N 1.171 120.965 119.800 -0.012 0.000 2.534 203 Q HA 0.740 5.080 4.340 -0.000 0.000 0.290 203 Q C -1.277 174.730 176.000 0.011 0.000 0.991 203 Q CA -1.429 54.376 55.803 0.003 0.000 0.783 203 Q CB 1.533 30.276 28.738 0.009 0.000 1.470 203 Q HN 0.627 nan 8.270 nan 0.000 0.406 204 A N 0.598 123.430 122.820 0.020 0.000 2.498 204 A HA 0.386 4.706 4.320 -0.000 0.000 0.239 204 A C 0.383 177.995 177.584 0.047 0.000 1.068 204 A CA 0.041 52.097 52.037 0.030 0.000 0.766 204 A CB -0.407 18.611 19.000 0.030 0.000 1.003 204 A HN 0.953 nan 8.150 nan 0.000 0.497 205 c N 1.344 119.980 118.600 0.060 0.000 3.273 205 c HA 0.532 5.102 4.570 -0.000 0.000 0.227 205 c C -2.571 171.583 174.090 0.107 0.000 1.409 205 c CA -2.230 54.156 56.329 0.095 0.000 1.516 205 c CB -1.020 41.551 42.510 0.102 0.000 1.853 205 c HN 0.669 nan 8.230 nan 0.000 0.472 206 P HA 0.070 nan 4.420 nan 0.000 0.262 206 P C -0.007 177.352 177.300 0.098 0.000 1.182 206 P CA 0.856 64.007 63.100 0.084 0.000 0.761 206 P CB 0.650 32.395 31.700 0.076 0.000 0.795 207 K N 2.478 122.928 120.400 0.084 0.000 2.383 207 K HA 0.240 4.560 4.320 -0.000 0.000 0.286 207 K C -0.448 176.193 176.600 0.068 0.000 1.051 207 K CA -0.060 56.272 56.287 0.076 0.000 0.974 207 K CB 0.353 32.890 32.500 0.061 0.000 0.968 207 K HN 0.171 nan 8.250 nan 0.000 0.475 208 V N 2.241 122.182 119.914 0.046 0.000 2.488 208 V HA 0.236 4.356 4.120 -0.000 0.000 0.293 208 V C -0.425 175.615 176.094 -0.089 0.000 1.027 208 V CA -0.903 61.424 62.300 0.046 0.000 0.862 208 V CB 1.685 33.571 31.823 0.104 0.000 1.008 208 V HN 0.811 nan 8.190 nan 0.000 0.428 209 S N 5.215 120.889 115.700 -0.043 0.000 2.561 209 S HA 0.969 5.439 4.470 -0.000 0.000 0.303 209 S C -0.958 173.625 174.600 -0.029 0.000 1.110 209 S CA -0.615 57.491 58.200 -0.156 0.000 1.034 209 S CB 1.723 64.883 63.200 -0.066 0.000 1.010 209 S HN 1.116 nan 8.310 nan 0.000 0.482 210 F N -1.363 118.546 119.950 -0.069 0.000 2.725 210 F HA 0.561 5.088 4.527 -0.000 0.000 0.309 210 F C -0.897 174.856 175.800 -0.079 0.000 1.132 210 F CA -1.225 56.736 58.000 -0.065 0.000 0.957 210 F CB 0.685 39.645 39.000 -0.067 0.000 1.286 210 F HN 0.467 nan 8.300 nan 0.000 0.440 211 E N 3.951 124.259 120.200 0.180 0.000 2.238 211 E HA 0.169 4.519 4.350 -0.000 0.000 0.264 211 E C -2.207 174.480 176.600 0.145 0.000 1.136 211 E CA -1.576 54.877 56.400 0.087 0.000 0.929 211 E CB 0.072 29.808 29.700 0.059 0.000 1.010 211 E HN 0.250 nan 8.360 nan 0.000 0.440 212 P HA -0.119 nan 4.420 nan 0.000 0.257 212 P C 0.020 177.352 177.300 0.053 0.000 1.162 212 P CA 0.293 63.410 63.100 0.028 0.000 0.762 212 P CB 0.043 31.718 31.700 -0.042 0.000 0.753 213 I N 2.392 122.996 120.570 0.057 0.000 2.720 213 I HA 0.337 4.507 4.170 -0.000 0.000 0.287 213 I C -2.456 173.671 176.117 0.018 0.000 1.090 213 I CA -2.892 58.429 61.300 0.034 0.000 1.384 213 I CB -0.539 37.475 38.000 0.023 0.000 1.420 213 I HN 0.105 nan 8.210 nan 0.000 0.575 214 P HA 0.251 nan 4.420 nan 0.000 0.268 214 P C -0.552 176.726 177.300 -0.037 0.000 1.205 214 P CA -0.020 63.059 63.100 -0.036 0.000 0.771 214 P CB 0.496 32.155 31.700 -0.069 0.000 0.858 215 I N 3.588 124.102 120.570 -0.093 0.000 2.330 215 I HA 0.193 4.363 4.170 -0.000 0.000 0.289 215 I C 0.844 176.882 176.117 -0.132 0.000 1.001 215 I CA -0.367 60.895 61.300 -0.063 0.000 1.193 215 I CB 0.219 38.163 38.000 -0.093 0.000 1.345 215 I HN 0.354 nan 8.210 nan 0.000 0.461 216 H N 5.886 124.925 119.070 -0.052 0.000 2.525 216 H HA 0.200 4.756 4.556 -0.000 0.000 0.339 216 H C -1.076 174.253 175.328 0.003 0.000 1.109 216 H CA -0.166 55.853 56.048 -0.048 0.000 1.352 216 H CB 2.008 31.755 29.762 -0.025 0.000 1.461 216 H HN 0.419 nan 8.280 nan 0.000 0.533 217 Y N 2.836 123.085 120.300 -0.085 0.000 2.352 217 Y HA 0.306 4.856 4.550 -0.000 0.000 0.339 217 Y C -0.911 174.933 175.900 -0.093 0.000 0.992 217 Y CA -1.488 56.548 58.100 -0.106 0.000 1.100 217 Y CB 0.616 38.975 38.460 -0.168 0.000 1.192 217 Y HN 0.608 nan 8.280 nan 0.000 0.458 218 c N 3.277 122.268 118.600 0.651 0.000 2.771 218 c HA 0.894 5.464 4.570 -0.000 0.000 0.333 218 c C 0.139 174.470 174.090 0.402 0.000 1.267 218 c CA -1.042 55.490 56.329 0.339 0.000 1.721 218 c CB 1.094 43.690 42.510 0.143 0.000 2.222 218 c HN 1.026 nan 8.230 nan 0.000 0.485 219 A N 1.995 124.947 122.820 0.220 0.000 2.409 219 A HA 0.599 4.919 4.320 -0.000 0.000 0.267 219 A C -2.308 175.392 177.584 0.194 0.000 1.127 219 A CA -0.464 51.704 52.037 0.218 0.000 0.795 219 A CB -0.674 18.423 19.000 0.161 0.000 1.061 219 A HN 0.749 nan 8.150 nan 0.000 0.502 220 P HA 0.405 nan 4.420 nan 0.000 0.277 220 P C -0.010 177.420 177.300 0.217 0.000 1.240 220 P CA -0.235 62.968 63.100 0.173 0.000 0.798 220 P CB 0.732 32.522 31.700 0.149 0.000 0.979 221 A N 1.902 124.806 122.820 0.141 0.000 2.592 221 A HA 0.319 4.639 4.320 -0.000 0.000 0.250 221 A C 1.518 179.178 177.584 0.127 0.000 1.017 221 A CA 1.081 53.181 52.037 0.105 0.000 0.794 221 A CB -1.595 17.445 19.000 0.067 0.000 0.917 221 A HN 0.966 nan 8.150 nan 0.000 0.515 222 G N 1.106 109.923 108.800 0.028 0.000 2.232 222 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.226 222 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.226 222 G C 0.029 174.686 174.900 -0.405 0.000 0.996 222 G CA 0.273 45.267 45.100 -0.177 0.000 0.626 222 G HN 0.824 nan 8.290 nan 0.000 0.509 223 F N 0.825 120.796 119.950 0.034 0.000 2.631 223 F HA 0.873 5.400 4.527 -0.000 0.000 0.350 223 F C 0.508 176.329 175.800 0.034 0.000 1.080 223 F CA -0.301 57.720 58.000 0.036 0.000 1.026 223 F CB 2.028 41.057 39.000 0.049 0.000 1.347 223 F HN 0.449 nan 8.300 nan 0.000 0.501 224 A N 0.674 123.648 122.820 0.257 0.000 2.486 224 A HA 0.764 5.084 4.320 -0.000 0.000 0.300 224 A C -1.453 176.205 177.584 0.124 0.000 1.048 224 A CA -0.539 51.583 52.037 0.143 0.000 0.696 224 A CB 1.061 20.113 19.000 0.088 0.000 1.278 224 A HN 0.628 nan 8.150 nan 0.000 0.405 225 I N 2.762 123.389 120.570 0.094 0.000 2.307 225 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 225 I C -0.657 175.540 176.117 0.133 0.000 1.021 225 I CA -0.144 61.209 61.300 0.088 0.000 1.224 225 I CB 0.890 38.910 38.000 0.032 0.000 1.376 225 I HN 0.472 nan 8.210 nan 0.000 0.470 226 L N 7.069 128.382 121.223 0.151 0.000 2.307 226 L HA 0.507 4.847 4.340 -0.000 0.000 0.282 226 L C -0.069 176.982 176.870 0.302 0.000 1.051 226 L CA -0.584 54.363 54.840 0.178 0.000 0.804 226 L CB 1.343 43.461 42.059 0.099 0.000 1.197 226 L HN 0.540 nan 8.230 nan 0.000 0.431 227 K N 2.260 122.776 120.400 0.192 0.000 2.316 227 K HA 0.432 4.752 4.320 -0.000 0.000 0.251 227 K C -1.406 175.095 176.600 -0.165 0.000 0.934 227 K CA -0.600 55.666 56.287 -0.036 0.000 0.802 227 K CB 2.123 34.571 32.500 -0.087 0.000 1.171 227 K HN 0.660 nan 8.250 nan 0.000 0.426 228 c N 4.253 122.544 118.600 -0.516 0.000 2.307 228 c HA 0.401 4.971 4.570 -0.000 0.000 0.340 228 c C 0.586 174.330 174.090 -0.577 0.000 1.275 228 c CA -0.623 55.283 56.329 -0.703 0.000 1.811 228 c CB -0.492 41.098 42.510 -1.534 0.000 2.372 228 c HN 0.941 nan 8.230 nan 0.000 0.531 229 N N 3.490 121.959 118.700 -0.385 0.000 2.336 229 N HA 0.032 4.772 4.740 -0.000 0.000 0.189 229 N C -0.115 175.254 175.510 -0.236 0.000 1.113 229 N CA 0.178 53.068 53.050 -0.267 0.000 0.858 229 N CB -0.179 38.210 38.487 -0.164 0.000 0.970 229 N HN 0.670 nan 8.380 nan 0.000 0.471 230 N N 1.563 120.084 118.700 -0.299 0.000 2.353 230 N HA -0.029 4.711 4.740 -0.000 0.000 0.248 230 N C 1.234 176.673 175.510 -0.118 0.000 1.240 230 N CA 0.381 53.323 53.050 -0.180 0.000 0.862 230 N CB 1.031 39.426 38.487 -0.154 0.000 1.086 230 N HN 0.133 nan 8.380 nan 0.000 0.453 231 K N 0.319 120.684 120.400 -0.059 0.000 1.991 231 K HA 0.013 4.333 4.320 -0.000 0.000 0.207 231 K C 0.444 177.049 176.600 0.008 0.000 1.045 231 K CA 0.924 57.190 56.287 -0.035 0.000 0.937 231 K CB -0.044 32.436 32.500 -0.034 0.000 0.720 231 K HN 0.439 nan 8.250 nan 0.000 0.438 232 T N 0.869 115.434 114.554 0.019 0.000 2.882 232 T HA 0.425 4.775 4.350 -0.000 0.000 0.287 232 T C -1.138 173.648 174.700 0.143 0.000 0.992 232 T CA -0.185 61.939 62.100 0.040 0.000 1.076 232 T CB 0.623 69.487 68.868 -0.007 0.000 0.961 232 T HN 0.054 nan 8.240 nan 0.000 0.490 233 F N 3.415 123.313 119.950 -0.086 0.000 2.651 233 F HA 0.293 4.820 4.527 -0.000 0.000 0.327 233 F C -0.112 175.596 175.800 -0.153 0.000 1.133 233 F CA -1.347 56.598 58.000 -0.093 0.000 1.076 233 F CB 1.012 39.968 39.000 -0.075 0.000 1.315 233 F HN 0.555 nan 8.300 nan 0.000 0.499 234 N N 2.903 121.137 118.700 -0.776 0.000 2.314 234 N HA 0.309 5.049 4.740 -0.000 0.000 0.200 234 N C 1.244 176.145 175.510 -1.014 0.000 1.135 234 N CA 0.482 53.098 53.050 -0.723 0.000 0.835 234 N CB 0.667 38.931 38.487 -0.373 0.000 0.989 234 N HN 1.163 nan 8.380 nan 0.000 0.478 235 G N -1.412 106.404 108.800 -1.640 0.000 2.175 235 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.265 235 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.265 235 G C -0.059 174.710 174.900 -0.218 0.000 0.979 235 G CA 0.872 45.395 45.100 -0.960 0.000 0.663 235 G HN 0.504 nan 8.290 nan 0.000 0.533 236 T N -0.212 114.177 114.554 -0.275 0.000 2.881 236 T HA 0.762 5.112 4.350 -0.000 0.000 0.290 236 T C 0.665 175.423 174.700 0.097 0.000 1.000 236 T CA 0.904 63.058 62.100 0.091 0.000 0.978 236 T CB 1.766 70.715 68.868 0.136 0.000 0.997 236 T HN 2.036 nan 8.240 nan 0.000 0.443 237 G N 4.563 113.487 108.800 0.207 0.000 2.512 237 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.210 237 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.210 237 G C -3.064 172.003 174.900 0.278 0.000 1.295 237 G CA -0.967 44.248 45.100 0.192 0.000 0.934 237 G HN 0.674 nan 8.290 nan 0.000 0.554 238 P HA 0.503 nan 4.420 nan 0.000 0.278 238 P C -0.411 177.050 177.300 0.268 0.000 1.238 238 P CA -0.013 63.222 63.100 0.225 0.000 0.794 238 P CB 1.600 33.383 31.700 0.139 0.000 0.955 239 c N 2.788 121.542 118.600 0.257 0.000 2.535 239 c HA 0.560 5.130 4.570 -0.000 0.000 0.319 239 c C 1.383 175.521 174.090 0.081 0.000 1.171 239 c CA 0.078 56.483 56.329 0.128 0.000 1.394 239 c CB 0.636 43.123 42.510 -0.038 0.000 1.990 239 c HN 0.742 nan 8.230 nan 0.000 0.466 240 T N 0.677 115.244 114.554 0.021 0.000 2.978 240 T HA 0.169 4.519 4.350 -0.000 0.000 0.248 240 T C 0.541 175.233 174.700 -0.015 0.000 1.018 240 T CA 0.224 62.334 62.100 0.016 0.000 1.026 240 T CB -0.292 68.587 68.868 0.019 0.000 1.032 240 T HN 0.608 nan 8.240 nan 0.000 0.485 241 N N 2.381 121.047 118.700 -0.056 0.000 2.968 241 N HA 0.354 5.094 4.740 -0.000 0.000 0.271 241 N C -0.955 174.492 175.510 -0.105 0.000 1.174 241 N CA -0.081 52.924 53.050 -0.076 0.000 1.096 241 N CB 0.470 38.901 38.487 -0.094 0.000 1.403 241 N HN 0.366 nan 8.380 nan 0.000 0.522 242 V N 0.910 120.792 119.914 -0.052 0.000 3.102 242 V HA 0.883 5.003 4.120 -0.000 0.000 0.312 242 V C -0.865 175.227 176.094 -0.002 0.000 1.135 242 V CA -0.429 61.853 62.300 -0.031 0.000 1.022 242 V CB 2.102 33.958 31.823 0.054 0.000 1.056 242 V HN 0.529 nan 8.190 nan 0.000 0.436 243 S N 1.883 117.592 115.700 0.015 0.000 2.615 243 S HA 0.606 5.076 4.470 -0.000 0.000 0.269 243 S C -0.649 173.985 174.600 0.056 0.000 1.161 243 S CA -0.715 57.502 58.200 0.027 0.000 0.817 243 S CB 1.565 64.771 63.200 0.011 0.000 1.131 243 S HN 0.918 nan 8.310 nan 0.000 0.467 244 T N 1.280 115.866 114.554 0.053 0.000 2.918 244 T HA 0.776 5.126 4.350 -0.000 0.000 0.283 244 T C -0.302 174.441 174.700 0.072 0.000 1.001 244 T CA -0.275 61.865 62.100 0.067 0.000 1.041 244 T CB 1.075 69.974 68.868 0.051 0.000 1.028 244 T HN 1.447 nan 8.240 nan 0.000 0.511 245 V N 1.076 121.042 119.914 0.086 0.000 3.120 245 V HA 0.462 4.582 4.120 -0.000 0.000 0.303 245 V C 0.649 176.786 176.094 0.072 0.000 1.238 245 V CA -0.897 61.454 62.300 0.086 0.000 1.008 245 V CB 2.086 33.986 31.823 0.129 0.000 1.064 245 V HN 0.689 nan 8.190 nan 0.000 0.434 246 Q N 1.209 121.046 119.800 0.061 0.000 1.927 246 Q HA -0.037 4.303 4.340 -0.000 0.000 0.210 246 Q C 0.694 176.726 176.000 0.054 0.000 1.001 246 Q CA 2.251 58.085 55.803 0.051 0.000 0.862 246 Q CB -0.303 28.457 28.738 0.038 0.000 0.934 246 Q HN 0.929 nan 8.270 nan 0.000 0.420 247 c N -0.551 118.082 118.600 0.057 0.000 3.108 247 c HA 0.509 5.079 4.570 -0.000 0.000 0.321 247 c C 0.770 174.865 174.090 0.009 0.000 1.357 247 c CA -0.724 55.630 56.329 0.041 0.000 1.562 247 c CB 1.221 43.782 42.510 0.086 0.000 2.003 247 c HN 0.633 nan 8.230 nan 0.000 0.460 248 T N -0.659 113.802 114.554 -0.155 0.000 2.698 248 T HA 0.277 4.627 4.350 -0.000 0.000 0.295 248 T C 0.296 174.991 174.700 -0.008 0.000 1.007 248 T CA 0.052 61.971 62.100 -0.302 0.000 0.980 248 T CB 0.110 68.466 68.868 -0.854 0.000 1.036 248 T HN 0.875 nan 8.240 nan 0.000 0.526 249 H N -0.541 118.569 119.070 0.066 0.000 2.660 249 H HA 0.352 4.908 4.556 0.000 0.000 0.374 249 H C 0.882 176.072 175.328 -0.229 0.000 1.291 249 H CA -0.529 55.538 56.048 0.033 0.000 1.437 249 H CB -0.543 29.264 29.762 0.075 0.000 1.509 249 H HN 0.951 nan 8.280 nan 0.000 0.614 250 G N 0.290 108.816 108.800 -0.457 0.000 2.380 250 G HA2 0.367 4.327 3.960 -0.000 0.000 0.242 250 G HA3 0.367 4.327 3.960 -0.000 0.000 0.242 250 G C -0.325 174.383 174.900 -0.319 0.000 1.298 250 G CA -0.465 44.176 45.100 -0.764 0.000 0.878 250 G HN 0.616 nan 8.290 nan 0.000 0.542 251 I N 1.932 122.325 120.570 -0.295 0.000 2.468 251 I HA 0.222 4.392 4.170 -0.000 0.000 0.284 251 I C -0.198 175.893 176.117 -0.042 0.000 1.038 251 I CA -1.002 60.225 61.300 -0.121 0.000 1.083 251 I CB 2.025 39.928 38.000 -0.161 0.000 1.223 251 I HN 0.326 nan 8.210 nan 0.000 0.443 252 R N 7.373 127.894 120.500 0.035 0.000 2.446 252 R HA 0.101 4.440 4.340 -0.000 0.000 0.325 252 R C -1.971 174.400 176.300 0.119 0.000 0.997 252 R CA -1.002 55.137 56.100 0.066 0.000 1.010 252 R CB -0.034 30.316 30.300 0.083 0.000 0.946 252 R HN 0.314 nan 8.270 nan 0.000 0.422 253 P HA -0.030 nan 4.420 nan 0.000 0.232 253 P C -0.284 177.235 177.300 0.366 0.000 1.738 253 P CA 0.027 63.216 63.100 0.148 0.000 0.948 253 P CB 0.239 31.988 31.700 0.082 0.000 1.943 254 V N 2.403 122.509 119.914 0.320 0.000 2.637 254 V HA 0.058 4.178 4.120 -0.000 0.000 0.296 254 V C 0.057 176.209 176.094 0.097 0.000 1.046 254 V CA -0.071 62.353 62.300 0.207 0.000 1.066 254 V CB 1.283 33.172 31.823 0.111 0.000 0.968 254 V HN -0.002 nan 8.190 nan 0.000 0.483 255 V N 7.890 127.720 119.914 -0.140 0.000 2.347 255 V HA 0.752 4.872 4.120 -0.000 0.000 0.280 255 V C 0.034 175.800 176.094 -0.546 0.000 1.021 255 V CA 0.677 62.652 62.300 -0.542 0.000 0.847 255 V CB 1.376 32.560 31.823 -1.066 0.000 0.990 255 V HN 1.201 nan 8.190 nan 0.000 0.444 256 S N 3.632 119.090 115.700 -0.403 0.000 2.615 256 S HA 0.682 5.152 4.470 -0.000 0.000 0.268 256 S C -0.647 173.975 174.600 0.038 0.000 1.146 256 S CA -0.244 57.818 58.200 -0.230 0.000 0.818 256 S CB 1.898 65.057 63.200 -0.068 0.000 1.111 256 S HN 1.003 nan 8.310 nan 0.000 0.465 257 S N 0.274 116.109 115.700 0.225 0.000 2.704 257 S HA 0.676 5.146 4.470 -0.000 0.000 0.305 257 S C 0.635 175.411 174.600 0.294 0.000 1.107 257 S CA 0.093 58.449 58.200 0.259 0.000 0.993 257 S CB 1.125 64.517 63.200 0.320 0.000 1.110 257 S HN 1.132 nan 8.310 nan 0.000 0.534 258 Q N -1.134 118.780 119.800 0.190 0.000 2.005 258 Q HA -0.274 4.066 4.340 -0.000 0.000 0.173 258 Q C -0.372 175.711 176.000 0.139 0.000 2.929 258 Q CA 2.067 57.965 55.803 0.159 0.000 0.200 258 Q CB -1.636 27.233 28.738 0.218 0.000 0.211 258 Q HN 0.760 nan 8.270 nan 0.000 0.373 259 L N 1.125 122.421 121.223 0.122 0.000 2.334 259 L HA 0.582 4.922 4.340 -0.000 0.000 0.273 259 L C -0.243 176.658 176.870 0.053 0.000 1.013 259 L CA -0.739 54.109 54.840 0.013 0.000 0.816 259 L CB 1.326 43.208 42.059 -0.295 0.000 1.278 259 L HN 0.073 nan 8.230 nan 0.000 0.431 260 L N 4.044 125.288 121.223 0.035 0.000 2.262 260 L HA 0.486 4.826 4.340 -0.000 0.000 0.288 260 L C -0.560 176.321 176.870 0.019 0.000 1.035 260 L CA -0.294 54.567 54.840 0.034 0.000 0.820 260 L CB 1.037 43.123 42.059 0.046 0.000 1.204 260 L HN 0.390 nan 8.230 nan 0.000 0.424 261 L N 4.120 125.348 121.223 0.009 0.000 2.325 261 L HA 0.440 4.780 4.340 -0.000 0.000 0.279 261 L C 0.349 177.226 176.870 0.011 0.000 1.054 261 L CA -0.745 54.083 54.840 -0.020 0.000 0.804 261 L CB 0.917 42.933 42.059 -0.072 0.000 1.200 261 L HN 0.633 nan 8.230 nan 0.000 0.436 262 N N 0.904 119.605 118.700 0.002 0.000 2.725 262 N HA -0.147 4.593 4.740 -0.000 0.000 0.249 262 N C -0.064 175.480 175.510 0.055 0.000 1.103 262 N CA 1.019 54.082 53.050 0.021 0.000 0.707 262 N CB -1.164 37.333 38.487 0.017 0.000 1.043 262 N HN 0.972 nan 8.380 nan 0.000 0.553 263 G N -1.519 107.319 108.800 0.063 0.000 2.705 263 G HA2 0.611 4.571 3.960 -0.000 0.000 0.299 263 G HA3 0.611 4.571 3.960 -0.000 0.000 0.299 263 G C -0.310 174.640 174.900 0.083 0.000 1.315 263 G CA -0.326 44.834 45.100 0.100 0.000 1.045 263 G HN 0.110 nan 8.290 nan 0.000 0.517 264 S N -0.545 115.219 115.700 0.106 0.000 2.549 264 S HA 0.308 4.778 4.470 -0.000 0.000 0.279 264 S C 0.283 174.907 174.600 0.041 0.000 1.321 264 S CA -0.307 57.928 58.200 0.058 0.000 1.054 264 S CB 0.535 63.758 63.200 0.038 0.000 0.899 264 S HN 0.318 nan 8.310 nan 0.000 0.497 265 L N 2.234 123.465 121.223 0.013 0.000 2.399 265 L HA 0.515 4.855 4.340 -0.000 0.000 0.266 265 L C 0.687 177.553 176.870 -0.007 0.000 1.114 265 L CA -0.850 53.989 54.840 -0.002 0.000 0.804 265 L CB 0.713 42.765 42.059 -0.012 0.000 1.146 265 L HN 0.671 nan 8.230 nan 0.000 0.451 266 A N 1.475 124.283 122.820 -0.021 0.000 2.440 266 A HA 0.155 4.475 4.320 -0.000 0.000 0.251 266 A C 0.727 178.294 177.584 -0.028 0.000 1.089 266 A CA -0.256 51.766 52.037 -0.025 0.000 0.779 266 A CB 0.107 19.075 19.000 -0.052 0.000 1.022 266 A HN 0.884 nan 8.150 nan 0.000 0.492 267 E N 0.952 121.138 120.200 -0.024 0.000 2.511 267 E HA -0.039 4.311 4.350 -0.000 0.000 0.196 267 E C 0.484 177.065 176.600 -0.032 0.000 1.066 267 E CA 0.804 57.187 56.400 -0.029 0.000 0.871 267 E CB 0.345 30.027 29.700 -0.031 0.000 0.863 267 E HN 0.858 nan 8.360 nan 0.000 0.520 268 E N -0.133 120.046 120.200 -0.036 0.000 3.567 268 E HA 0.138 4.488 4.350 -0.000 0.000 0.207 268 E C -0.017 176.556 176.600 -0.045 0.000 1.278 268 E CA -0.178 56.199 56.400 -0.038 0.000 1.316 268 E CB 0.752 30.430 29.700 -0.037 0.000 2.414 268 E HN -0.035 nan 8.360 nan 0.000 0.544 269 E N 0.725 120.893 120.200 -0.053 0.000 2.316 269 E HA 0.423 4.773 4.350 -0.000 0.000 0.258 269 E C -0.875 175.680 176.600 -0.074 0.000 0.952 269 E CA -0.775 55.587 56.400 -0.063 0.000 0.818 269 E CB 2.486 32.147 29.700 -0.065 0.000 1.260 269 E HN -0.106 nan 8.360 nan 0.000 0.416 270 V N 1.459 121.322 119.914 -0.086 0.000 2.763 270 V HA 0.063 4.183 4.120 -0.000 0.000 0.306 270 V C -0.162 175.872 176.094 -0.100 0.000 1.059 270 V CA 0.221 62.463 62.300 -0.098 0.000 1.138 270 V CB 0.909 32.661 31.823 -0.117 0.000 0.940 270 V HN 0.310 nan 8.190 nan 0.000 0.489 271 V N 6.026 125.876 119.914 -0.107 0.000 2.638 271 V HA 0.534 4.654 4.120 -0.000 0.000 0.306 271 V C -0.299 175.731 176.094 -0.106 0.000 1.052 271 V CA -0.540 61.687 62.300 -0.121 0.000 0.885 271 V CB 1.901 33.630 31.823 -0.157 0.000 0.999 271 V HN 0.777 nan 8.190 nan 0.000 0.424 272 I N 2.354 122.886 120.570 -0.063 0.000 2.530 272 I HA 0.811 4.981 4.170 -0.000 0.000 0.297 272 I C -0.650 175.560 176.117 0.154 0.000 1.011 272 I CA -0.753 60.572 61.300 0.042 0.000 1.107 272 I CB 2.046 40.104 38.000 0.097 0.000 1.285 272 I HN 0.545 nan 8.210 nan 0.000 0.436 273 R N 3.376 123.970 120.500 0.156 0.000 2.673 273 R HA 0.724 5.064 4.340 -0.000 0.000 0.281 273 R C -1.157 175.135 176.300 -0.013 0.000 0.991 273 R CA -0.757 55.380 56.100 0.061 0.000 0.896 273 R CB 2.367 32.478 30.300 -0.314 0.000 1.201 273 R HN 0.820 nan 8.270 nan 0.000 0.457 274 S N 0.140 115.653 115.700 -0.311 0.000 2.565 274 S HA 0.240 4.710 4.470 -0.000 0.000 0.269 274 S C -0.393 174.103 174.600 -0.174 0.000 1.153 274 S CA -0.685 57.239 58.200 -0.460 0.000 0.835 274 S CB 1.305 63.749 63.200 -1.259 0.000 1.122 274 S HN 0.755 nan 8.310 nan 0.000 0.462 275 c N 3.123 121.579 118.600 -0.241 0.000 2.480 275 c HA 0.555 5.125 4.570 -0.000 0.000 0.317 275 c C 0.532 174.525 174.090 -0.161 0.000 1.300 275 c CA -0.228 55.952 56.329 -0.248 0.000 1.706 275 c CB -2.138 40.130 42.510 -0.403 0.000 1.840 275 c HN 0.704 nan 8.230 nan 0.000 0.596 276 N N -0.868 117.715 118.700 -0.196 0.000 4.924 276 N HA -0.055 4.685 4.740 -0.000 0.000 0.141 276 N C -0.070 175.413 175.510 -0.046 0.000 1.288 276 N CA -0.356 52.652 53.050 -0.070 0.000 1.069 276 N CB -0.996 37.469 38.487 -0.036 0.000 1.664 276 N HN 0.154 nan 8.380 nan 0.000 0.902 277 F N 0.590 120.602 119.950 0.104 0.000 2.171 277 F HA -0.106 4.421 4.527 0.000 0.000 0.300 277 F C 2.383 178.321 175.800 0.230 0.000 1.090 277 F CA 1.587 59.691 58.000 0.174 0.000 1.293 277 F CB 0.068 39.094 39.000 0.043 0.000 1.013 277 F HN 0.352 nan 8.300 nan 0.000 0.486 278 T N -1.423 113.317 114.554 0.310 0.000 2.833 278 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 278 T C 0.676 175.467 174.700 0.152 0.000 1.054 278 T CA 0.988 63.222 62.100 0.224 0.000 1.135 278 T CB -0.374 68.579 68.868 0.141 0.000 0.869 278 T HN 0.008 nan 8.240 nan 0.000 0.466 279 D N 2.499 122.965 120.400 0.109 0.000 2.338 279 D HA 0.022 4.662 4.640 -0.000 0.000 0.255 279 D C 0.642 176.974 176.300 0.054 0.000 1.237 279 D CA -0.363 53.670 54.000 0.055 0.000 0.883 279 D CB 0.342 41.154 40.800 0.019 0.000 1.087 279 D HN 0.253 nan 8.370 nan 0.000 0.485 280 N N 2.969 121.687 118.700 0.029 0.000 2.567 280 N HA -0.036 4.704 4.740 -0.000 0.000 0.195 280 N C 0.571 176.074 175.510 -0.011 0.000 1.242 280 N CA 0.153 53.203 53.050 -0.000 0.000 0.884 280 N CB 0.174 38.635 38.487 -0.044 0.000 1.007 280 N HN 0.248 nan 8.380 nan 0.000 0.450 281 A N -0.717 122.100 122.820 -0.005 0.000 2.324 281 A HA 0.192 4.512 4.320 -0.000 0.000 0.220 281 A C 0.599 178.171 177.584 -0.019 0.000 1.209 281 A CA -0.071 51.957 52.037 -0.016 0.000 0.918 281 A CB 0.377 19.366 19.000 -0.019 0.000 0.959 281 A HN -0.022 nan 8.150 nan 0.000 0.507 282 K N 1.420 121.809 120.400 -0.019 0.000 2.174 282 K HA 0.370 4.690 4.320 -0.000 0.000 0.275 282 K C -0.374 176.214 176.600 -0.021 0.000 1.015 282 K CA -0.129 56.133 56.287 -0.042 0.000 0.933 282 K CB 0.755 33.209 32.500 -0.077 0.000 1.025 282 K HN 0.137 nan 8.250 nan 0.000 0.463 283 T N 3.178 117.715 114.554 -0.029 0.000 2.902 283 T HA 0.140 4.490 4.350 -0.000 0.000 0.301 283 T C 0.739 175.456 174.700 0.028 0.000 1.012 283 T CA 0.090 62.193 62.100 0.006 0.000 1.151 283 T CB 0.058 68.923 68.868 -0.005 0.000 0.946 283 T HN 0.264 nan 8.240 nan 0.000 0.542 284 I N 4.457 125.082 120.570 0.092 0.000 2.315 284 I HA 0.319 4.489 4.170 -0.000 0.000 0.291 284 I C 0.236 176.426 176.117 0.122 0.000 1.006 284 I CA -0.426 60.957 61.300 0.138 0.000 1.265 284 I CB 0.840 39.004 38.000 0.273 0.000 1.387 284 I HN 0.455 nan 8.210 nan 0.000 0.475 285 I N 7.290 127.927 120.570 0.113 0.000 2.297 285 I HA 0.227 4.397 4.170 -0.000 0.000 0.291 285 I C -0.101 176.042 176.117 0.043 0.000 1.033 285 I CA -0.479 60.869 61.300 0.081 0.000 1.253 285 I CB 1.250 39.308 38.000 0.098 0.000 1.396 285 I HN 0.241 nan 8.210 nan 0.000 0.476 286 V N 6.812 126.746 119.914 0.033 0.000 2.539 286 V HA 0.312 4.432 4.120 -0.000 0.000 0.292 286 V C -0.020 176.053 176.094 -0.034 0.000 1.045 286 V CA -0.419 61.877 62.300 -0.007 0.000 0.945 286 V CB 1.657 33.473 31.823 -0.011 0.000 0.993 286 V HN 0.712 nan 8.190 nan 0.000 0.464 287 Q N 3.660 123.419 119.800 -0.069 0.000 2.304 287 Q HA 0.586 4.926 4.340 -0.000 0.000 0.270 287 Q C -1.765 174.191 176.000 -0.073 0.000 1.035 287 Q CA -0.651 55.112 55.803 -0.067 0.000 0.781 287 Q CB 1.914 30.596 28.738 -0.094 0.000 1.261 287 Q HN 0.700 nan 8.270 nan 0.000 0.444 288 L N 2.835 124.023 121.223 -0.059 0.000 2.379 288 L HA 0.395 4.735 4.340 -0.000 0.000 0.269 288 L C 1.238 178.074 176.870 -0.056 0.000 1.084 288 L CA -0.681 54.116 54.840 -0.072 0.000 0.802 288 L CB 0.670 42.684 42.059 -0.074 0.000 1.175 288 L HN 0.733 nan 8.230 nan 0.000 0.448 289 N N -1.263 117.399 118.700 -0.063 0.000 2.299 289 N HA 0.010 4.750 4.740 -0.000 0.000 0.187 289 N C -0.071 175.414 175.510 -0.043 0.000 1.099 289 N CA -0.039 52.982 53.050 -0.049 0.000 0.867 289 N CB 0.431 38.887 38.487 -0.052 0.000 0.974 289 N HN 0.530 nan 8.380 nan 0.000 0.477 290 T N 0.215 114.740 114.554 -0.049 0.000 2.881 290 T HA 0.345 4.695 4.350 -0.000 0.000 0.290 290 T C -0.654 174.027 174.700 -0.032 0.000 1.000 290 T CA -0.472 61.604 62.100 -0.039 0.000 0.978 290 T CB 2.013 70.853 68.868 -0.046 0.000 0.997 290 T HN -0.040 nan 8.240 nan 0.000 0.443 291 S N 1.546 117.235 115.700 -0.018 0.000 2.585 291 S HA 0.463 4.933 4.470 -0.000 0.000 0.273 291 S C -0.152 174.449 174.600 0.002 0.000 1.339 291 S CA -0.545 57.650 58.200 -0.008 0.000 1.028 291 S CB 0.520 63.716 63.200 -0.007 0.000 0.906 291 S HN 0.484 nan 8.310 nan 0.000 0.528 292 V N 3.254 123.181 119.914 0.021 0.000 2.443 292 V HA 0.286 4.406 4.120 -0.000 0.000 0.293 292 V C -0.422 175.679 176.094 0.013 0.000 1.021 292 V CA -0.827 61.501 62.300 0.046 0.000 0.848 292 V CB 1.674 33.585 31.823 0.147 0.000 0.998 292 V HN 0.789 nan 8.190 nan 0.000 0.424 293 E N 3.608 123.805 120.200 -0.004 0.000 2.413 293 E HA 0.375 4.725 4.350 -0.000 0.000 0.263 293 E C -0.357 176.207 176.600 -0.061 0.000 1.015 293 E CA 0.364 56.744 56.400 -0.032 0.000 0.916 293 E CB 1.186 30.871 29.700 -0.025 0.000 0.947 293 E HN 0.622 nan 8.360 nan 0.000 0.440 294 I N 2.756 123.269 120.570 -0.096 0.000 2.500 294 I HA 0.287 4.457 4.170 -0.000 0.000 0.286 294 I C -1.555 174.486 176.117 -0.128 0.000 1.063 294 I CA -0.807 60.414 61.300 -0.132 0.000 1.062 294 I CB 0.958 38.836 38.000 -0.203 0.000 1.223 294 I HN 0.366 nan 8.210 nan 0.000 0.435 295 N N 7.111 125.758 118.700 -0.088 0.000 2.408 295 N HA 0.480 5.220 4.740 -0.000 0.000 0.280 295 N C -1.210 174.257 175.510 -0.072 0.000 1.002 295 N CA -0.280 52.724 53.050 -0.076 0.000 0.907 295 N CB 1.820 40.284 38.487 -0.039 0.000 1.161 295 N HN 0.474 nan 8.380 nan 0.000 0.488 296 c N 0.127 118.674 118.600 -0.090 0.000 2.667 296 c HA 0.794 5.364 4.570 -0.000 0.000 0.323 296 c C 0.661 174.733 174.090 -0.030 0.000 1.214 296 c CA -0.592 55.712 56.329 -0.043 0.000 1.721 296 c CB 1.984 44.514 42.510 0.033 0.000 2.275 296 c HN 0.686 nan 8.230 nan 0.000 0.491 297 T N -0.718 113.842 114.554 0.010 0.000 2.916 297 T HA 0.514 4.864 4.350 -0.000 0.000 0.305 297 T C 0.958 175.760 174.700 0.171 0.000 1.119 297 T CA 0.389 62.507 62.100 0.030 0.000 1.008 297 T CB 1.358 70.123 68.868 -0.171 0.000 1.129 297 T HN 0.944 nan 8.240 nan 0.000 0.480 298 G N 1.887 110.790 108.800 0.173 0.000 2.501 298 G HA2 0.263 4.223 3.960 -0.000 0.000 0.220 298 G HA3 0.263 4.223 3.960 -0.000 0.000 0.220 298 G C 0.867 175.779 174.900 0.019 0.000 1.114 298 G CA 0.714 45.853 45.100 0.065 0.000 0.757 298 G HN 1.062 nan 8.290 nan 0.000 0.559 330 H N -2.930 116.236 119.070 0.160 0.000 3.003 330 H HA 0.752 5.307 4.556 -0.000 0.000 0.327 330 H C -1.317 174.108 175.328 0.163 0.000 1.353 330 H CA -1.133 55.003 56.048 0.147 0.000 1.142 330 H CB 1.130 30.945 29.762 0.088 0.000 1.864 330 H HN 0.146 nan 8.280 nan 0.000 0.529 331 c N 2.176 120.914 118.600 0.230 0.000 2.441 331 c HA 0.556 5.126 4.570 -0.000 0.000 0.318 331 c C -0.691 173.470 174.090 0.119 0.000 1.222 331 c CA -0.745 55.657 56.329 0.122 0.000 1.474 331 c CB 0.838 43.413 42.510 0.108 0.000 2.125 331 c HN 0.751 nan 8.230 nan 0.000 0.479 332 N N 1.902 120.646 118.700 0.073 0.000 2.417 332 N HA 0.782 5.522 4.740 -0.000 0.000 0.300 332 N C -1.078 174.408 175.510 -0.041 0.000 1.102 332 N CA -0.260 52.815 53.050 0.041 0.000 0.886 332 N CB 1.637 40.167 38.487 0.072 0.000 1.203 332 N HN 0.581 nan 8.380 nan 0.000 0.496 333 I N 0.530 121.061 120.570 -0.065 0.000 2.680 333 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 333 I C -0.395 175.694 176.117 -0.046 0.000 1.244 333 I CA -0.967 60.277 61.300 -0.093 0.000 1.042 333 I CB 1.998 39.866 38.000 -0.220 0.000 1.277 333 I HN 0.454 nan 8.210 nan 0.000 0.423 334 A N 5.763 128.580 122.820 -0.006 0.000 2.522 334 A HA 0.159 4.479 4.320 -0.000 0.000 0.256 334 A C 1.413 179.030 177.584 0.054 0.000 1.086 334 A CA 0.165 52.215 52.037 0.021 0.000 0.763 334 A CB 0.075 19.092 19.000 0.028 0.000 1.024 334 A HN 0.961 nan 8.150 nan 0.000 0.502 335 R N 2.671 123.198 120.500 0.045 0.000 2.081 335 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 335 R C 2.063 178.431 176.300 0.113 0.000 1.131 335 R CA 1.740 57.887 56.100 0.077 0.000 0.960 335 R CB -0.236 30.092 30.300 0.046 0.000 0.856 335 R HN 0.808 nan 8.270 nan 0.000 0.436 336 A N 1.361 124.225 122.820 0.074 0.000 1.877 336 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 336 A C 1.989 179.611 177.584 0.062 0.000 1.186 336 A CA 1.446 53.521 52.037 0.064 0.000 0.620 336 A CB -0.344 18.680 19.000 0.040 0.000 0.822 336 A HN 0.313 nan 8.150 nan 0.000 0.443 337 K N -1.289 119.149 120.400 0.065 0.000 2.009 337 K HA -0.208 4.112 4.320 -0.000 0.000 0.210 337 K C 2.028 178.666 176.600 0.063 0.000 1.049 337 K CA 1.641 57.958 56.287 0.051 0.000 0.929 337 K CB -0.352 32.184 32.500 0.060 0.000 0.714 337 K HN 0.797 nan 8.250 nan 0.000 0.440 338 W N 2.471 123.721 121.300 -0.083 0.000 2.352 338 W HA -0.281 4.379 4.660 -0.000 0.000 0.322 338 W C 1.908 178.363 176.519 -0.108 0.000 1.208 338 W CA 1.905 59.175 57.345 -0.126 0.000 1.286 338 W CB -0.680 28.690 29.460 -0.149 0.000 1.167 338 W HN 0.188 nan 8.180 nan 0.000 0.469 339 N N 1.143 119.915 118.700 0.121 0.000 2.144 339 N HA -0.301 4.439 4.740 -0.000 0.000 0.195 339 N C 1.449 176.958 175.510 -0.002 0.000 1.006 339 N CA 2.299 55.414 53.050 0.108 0.000 0.880 339 N CB -0.947 37.637 38.487 0.161 0.000 1.018 339 N HN 0.071 nan 8.380 nan 0.000 0.443 340 N N -1.136 117.525 118.700 -0.065 0.000 2.333 340 N HA -0.013 4.727 4.740 -0.000 0.000 0.178 340 N C 1.081 176.439 175.510 -0.254 0.000 1.018 340 N CA 1.117 54.107 53.050 -0.100 0.000 0.882 340 N CB -0.271 38.188 38.487 -0.047 0.000 0.984 340 N HN 0.268 nan 8.380 nan 0.000 0.434 341 T N 1.852 116.178 114.554 -0.379 0.000 2.737 341 T HA 0.017 4.367 4.350 -0.000 0.000 0.265 341 T C 2.015 176.299 174.700 -0.693 0.000 1.038 341 T CA 0.613 62.403 62.100 -0.518 0.000 1.144 341 T CB -0.115 68.356 68.868 -0.661 0.000 0.866 341 T HN 0.169 nan 8.240 nan 0.000 0.434 342 L N 0.775 121.434 121.223 -0.940 0.000 2.079 342 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 342 L C 2.805 178.985 176.870 -1.151 0.000 1.081 342 L CA 1.353 55.522 54.840 -1.117 0.000 0.752 342 L CB -0.576 40.803 42.059 -1.133 0.000 0.896 342 L HN 0.215 nan 8.230 nan 0.000 0.433 343 K N 0.381 120.183 120.400 -0.995 0.000 2.026 343 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 343 K C 2.093 178.478 176.600 -0.359 0.000 1.048 343 K CA 1.690 57.535 56.287 -0.737 0.000 0.929 343 K CB -0.060 32.309 32.500 -0.218 0.000 0.713 343 K HN 0.404 nan 8.250 nan 0.000 0.439 344 Q N 0.093 119.710 119.800 -0.305 0.000 2.181 344 Q HA -0.123 4.217 4.340 -0.000 0.000 0.205 344 Q C 2.056 177.941 176.000 -0.191 0.000 0.980 344 Q CA 1.443 57.128 55.803 -0.197 0.000 0.862 344 Q CB -0.027 28.596 28.738 -0.192 0.000 0.905 344 Q HN 0.384 nan 8.270 nan 0.000 0.429 345 I N -0.217 120.187 120.570 -0.276 0.000 2.270 345 I HA -0.122 4.048 4.170 -0.000 0.000 0.239 345 I C 2.409 178.456 176.117 -0.117 0.000 1.080 345 I CA 0.627 61.803 61.300 -0.206 0.000 1.383 345 I CB -0.556 37.292 38.000 -0.252 0.000 1.097 345 I HN 0.090 nan 8.210 nan 0.000 0.420 346 A N 0.417 123.168 122.820 -0.114 0.000 1.927 346 A HA -0.313 4.007 4.320 -0.000 0.000 0.220 346 A C 2.490 180.264 177.584 0.317 0.000 1.185 346 A CA 2.620 54.687 52.037 0.051 0.000 0.639 346 A CB -1.016 17.849 19.000 -0.226 0.000 0.820 346 A HN 0.430 nan 8.150 nan 0.000 0.451 347 S N -0.748 115.116 115.700 0.273 0.000 2.351 347 S HA -0.202 4.268 4.470 -0.000 0.000 0.220 347 S C 2.113 176.686 174.600 -0.044 0.000 1.035 347 S CA 1.712 59.973 58.200 0.102 0.000 1.031 347 S CB -0.295 62.941 63.200 0.061 0.000 0.928 347 S HN 0.532 nan 8.310 nan 0.000 0.433 348 K N 0.745 121.110 120.400 -0.059 0.000 2.209 348 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 348 K C 2.062 178.614 176.600 -0.081 0.000 1.048 348 K CA 0.726 56.959 56.287 -0.091 0.000 0.940 348 K CB -0.472 31.968 32.500 -0.100 0.000 0.729 348 K HN 0.442 nan 8.250 nan 0.000 0.451 349 L N 0.549 121.750 121.223 -0.037 0.000 2.023 349 L HA -0.150 4.190 4.340 -0.000 0.000 0.205 349 L C 2.411 179.378 176.870 0.161 0.000 1.073 349 L CA 1.256 56.126 54.840 0.049 0.000 0.745 349 L CB -0.394 41.584 42.059 -0.135 0.000 0.900 349 L HN 0.172 nan 8.230 nan 0.000 0.435 350 R N 0.123 120.683 120.500 0.100 0.000 2.285 350 R HA -0.158 4.182 4.340 -0.000 0.000 0.213 350 R C 1.754 178.029 176.300 -0.041 0.000 1.068 350 R CA 1.117 57.257 56.100 0.067 0.000 1.004 350 R CB -0.448 29.824 30.300 -0.047 0.000 0.873 350 R HN 0.397 nan 8.270 nan 0.000 0.467 351 E N 1.063 121.206 120.200 -0.095 0.000 2.216 351 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 351 E C 1.868 178.348 176.600 -0.201 0.000 0.988 351 E CA 0.905 57.219 56.400 -0.144 0.000 0.834 351 E CB 0.231 29.841 29.700 -0.151 0.000 0.772 351 E HN 0.451 nan 8.360 nan 0.000 0.479 352 Q N -1.102 118.534 119.800 -0.274 0.000 2.376 352 Q HA 0.051 4.391 4.340 -0.000 0.000 0.206 352 Q C 0.215 175.794 176.000 -0.703 0.000 0.921 352 Q CA 0.701 56.155 55.803 -0.582 0.000 0.911 352 Q CB 0.310 28.506 28.738 -0.902 0.000 1.032 352 Q HN 0.232 nan 8.270 nan 0.000 0.510 353 F N -0.123 119.788 119.950 -0.064 0.000 2.805 353 F HA 0.533 5.060 4.527 -0.000 0.000 0.317 353 F C 0.233 176.027 175.800 -0.009 0.000 1.146 353 F CA -0.006 57.990 58.000 -0.007 0.000 1.265 353 F CB 1.476 40.520 39.000 0.072 0.000 0.992 353 F HN 0.070 nan 8.300 nan 0.000 0.511 354 G N 1.107 109.944 108.800 0.063 0.000 3.039 354 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.686 354 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.686 354 G C -0.009 174.899 174.900 0.015 0.000 1.066 354 G CA -0.901 44.219 45.100 0.033 0.000 0.774 354 G HN 0.195 nan 8.290 nan 0.000 0.591 355 N N 0.882 119.563 118.700 -0.032 0.000 2.449 355 N HA -0.019 4.721 4.740 -0.000 0.000 0.191 355 N C 1.298 176.775 175.510 -0.055 0.000 1.161 355 N CA 0.499 53.503 53.050 -0.077 0.000 0.863 355 N CB 0.156 38.584 38.487 -0.099 0.000 0.980 355 N HN 0.511 nan 8.380 nan 0.000 0.458 356 N N 0.211 118.907 118.700 -0.006 0.000 2.236 356 N HA 0.034 4.774 4.740 -0.000 0.000 0.196 356 N C -0.101 175.440 175.510 0.051 0.000 1.114 356 N CA 0.233 53.293 53.050 0.016 0.000 0.859 356 N CB 0.499 38.996 38.487 0.017 0.000 0.982 356 N HN -0.042 nan 8.380 nan 0.000 0.493 357 K N 0.987 121.428 120.400 0.069 0.000 2.249 357 K HA 0.257 4.577 4.320 -0.000 0.000 0.280 357 K C -0.104 176.606 176.600 0.183 0.000 1.033 357 K CA -0.001 56.353 56.287 0.111 0.000 0.946 357 K CB 0.824 33.403 32.500 0.132 0.000 1.005 357 K HN -0.077 nan 8.250 nan 0.000 0.469 358 T N 3.910 118.567 114.554 0.172 0.000 2.817 358 T HA 0.302 4.652 4.350 -0.000 0.000 0.293 358 T C 0.402 175.228 174.700 0.211 0.000 0.964 358 T CA -0.471 61.762 62.100 0.221 0.000 1.085 358 T CB 0.374 69.320 68.868 0.129 0.000 0.921 358 T HN 0.176 nan 8.240 nan 0.000 0.502 359 I N 5.041 125.772 120.570 0.269 0.000 2.315 359 I HA 0.401 4.571 4.170 -0.000 0.000 0.291 359 I C -0.003 176.096 176.117 -0.030 0.000 1.006 359 I CA -0.670 60.712 61.300 0.135 0.000 1.265 359 I CB 0.680 38.724 38.000 0.073 0.000 1.387 359 I HN 0.513 nan 8.210 nan 0.000 0.475 360 I N 6.612 127.126 120.570 -0.094 0.000 2.530 360 I HA 0.424 4.594 4.170 -0.000 0.000 0.297 360 I C -0.624 175.343 176.117 -0.250 0.000 1.011 360 I CA -0.316 60.926 61.300 -0.096 0.000 1.107 360 I CB 1.698 39.706 38.000 0.012 0.000 1.285 360 I HN 0.195 nan 8.210 nan 0.000 0.436 361 F N 4.387 124.544 119.950 0.345 0.000 2.444 361 F HA 0.641 5.168 4.527 -0.000 0.000 0.342 361 F C 0.130 176.114 175.800 0.307 0.000 1.121 361 F CA -0.677 57.545 58.000 0.370 0.000 0.997 361 F CB 1.318 40.588 39.000 0.450 0.000 1.130 361 F HN 0.214 nan 8.300 nan 0.000 0.454 362 K N 1.586 122.229 120.400 0.405 0.000 2.444 362 K HA 0.399 4.719 4.320 -0.000 0.000 0.252 362 K C -0.940 175.820 176.600 0.267 0.000 0.993 362 K CA -1.315 55.144 56.287 0.287 0.000 0.847 362 K CB 2.240 34.834 32.500 0.157 0.000 1.340 362 K HN 0.659 nan 8.250 nan 0.000 0.446 363 Q N 0.227 120.161 119.800 0.224 0.000 2.524 363 Q HA 0.100 4.440 4.340 -0.000 0.000 0.246 363 Q C 0.009 176.053 176.000 0.073 0.000 1.063 363 Q CA -0.335 55.573 55.803 0.175 0.000 0.945 363 Q CB 0.378 29.212 28.738 0.160 0.000 1.292 363 Q HN 0.395 nan 8.270 nan 0.000 0.518 364 S N 0.245 115.966 115.700 0.035 0.000 2.561 364 S HA -0.049 4.421 4.470 -0.000 0.000 0.294 364 S C 0.581 175.197 174.600 0.026 0.000 1.294 364 S CA 0.111 58.317 58.200 0.010 0.000 1.055 364 S CB 0.157 63.372 63.200 0.026 0.000 0.819 364 S HN 0.687 nan 8.310 nan 0.000 0.503 365 S N 2.809 118.516 115.700 0.011 0.000 2.605 365 S HA 0.530 5.000 4.470 -0.000 0.000 0.217 365 S C 0.880 175.485 174.600 0.008 0.000 0.958 365 S CA -0.011 58.195 58.200 0.010 0.000 0.919 365 S CB -0.408 62.791 63.200 -0.001 0.000 0.780 365 S HN 1.506 nan 8.310 nan 0.000 0.507 366 G N -0.797 108.010 108.800 0.011 0.000 2.354 366 G HA2 0.501 4.461 3.960 -0.000 0.000 0.582 366 G HA3 0.501 4.461 3.960 -0.000 0.000 0.582 366 G C -0.153 174.747 174.900 -0.000 0.000 1.316 366 G CA -0.363 44.741 45.100 0.007 0.000 0.995 366 G HN 1.624 nan 8.290 nan 0.000 0.573 367 G N -0.884 107.913 108.800 -0.006 0.000 2.466 367 G HA2 0.401 4.361 3.960 -0.000 0.000 0.316 367 G HA3 0.401 4.361 3.960 -0.000 0.000 0.316 367 G C -0.680 174.208 174.900 -0.020 0.000 1.270 367 G CA 0.348 45.439 45.100 -0.016 0.000 0.982 367 G HN 1.420 nan 8.290 nan 0.000 0.506 368 D N 2.005 122.383 120.400 -0.038 0.000 2.449 368 D HA 0.287 4.927 4.640 -0.000 0.000 0.236 368 D C -0.693 175.588 176.300 -0.031 0.000 1.149 368 D CA -0.471 53.497 54.000 -0.053 0.000 0.878 368 D CB 0.824 41.567 40.800 -0.094 0.000 1.198 368 D HN 0.139 nan 8.370 nan 0.000 0.446 369 P HA -0.204 nan 4.420 nan 0.000 0.216 369 P C 0.825 178.199 177.300 0.123 0.000 1.154 369 P CA 1.399 64.551 63.100 0.087 0.000 0.865 369 P CB 0.346 32.088 31.700 0.071 0.000 0.789 370 E N -1.075 119.084 120.200 -0.068 0.000 2.204 370 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 370 E C 1.861 178.394 176.600 -0.113 0.000 0.990 370 E CA 0.804 56.968 56.400 -0.394 0.000 0.821 370 E CB -0.734 28.293 29.700 -1.122 0.000 0.750 370 E HN 0.236 nan 8.360 nan 0.000 0.477 371 I N -0.910 119.624 120.570 -0.060 0.000 3.035 371 I HA -0.090 4.080 4.170 -0.000 0.000 0.271 371 I C 1.665 177.811 176.117 0.049 0.000 1.190 371 I CA 0.463 61.766 61.300 0.005 0.000 1.472 371 I CB 0.303 38.291 38.000 -0.021 0.000 1.116 371 I HN -0.050 nan 8.210 nan 0.000 0.443 372 V N -0.269 119.682 119.914 0.061 0.000 2.535 372 V HA -0.025 4.095 4.120 -0.000 0.000 0.246 372 V C 1.241 177.416 176.094 0.136 0.000 1.045 372 V CA 1.420 63.768 62.300 0.080 0.000 1.058 372 V CB -0.900 30.965 31.823 0.070 0.000 0.689 372 V HN 0.540 nan 8.190 nan 0.000 0.461 373 T N -2.183 112.482 114.554 0.186 0.000 2.952 373 T HA 0.405 4.755 4.350 -0.000 0.000 0.286 373 T C -0.271 174.612 174.700 0.304 0.000 1.024 373 T CA -0.503 61.751 62.100 0.257 0.000 1.029 373 T CB 1.401 70.460 68.868 0.318 0.000 1.094 373 T HN 0.360 nan 8.240 nan 0.000 0.515 374 H N 0.759 119.983 119.070 0.257 0.000 3.089 374 H HA 0.376 4.932 4.556 -0.000 0.000 0.262 374 H C -1.129 174.435 175.328 0.393 0.000 1.160 374 H CA -1.121 55.096 56.048 0.283 0.000 1.482 374 H CB -0.327 29.574 29.762 0.232 0.000 1.511 374 H HN 0.700 nan 8.280 nan 0.000 0.483 375 W N 8.690 129.895 121.300 -0.159 0.000 2.478 375 W HA 0.472 5.132 4.660 -0.000 0.000 0.318 375 W C -1.962 174.411 176.519 -0.243 0.000 1.062 375 W CA -1.113 56.005 57.345 -0.378 0.000 1.210 375 W CB 0.475 29.627 29.460 -0.513 0.000 1.325 375 W HN 0.482 nan 8.180 nan 0.000 0.496 376 F N 3.575 122.972 119.950 -0.922 0.000 2.686 376 F HA 0.529 5.056 4.527 -0.000 0.000 0.311 376 F C -1.223 174.137 175.800 -0.733 0.000 1.128 376 F CA -1.749 55.708 58.000 -0.905 0.000 0.946 376 F CB 0.922 39.537 39.000 -0.641 0.000 1.336 376 F HN 0.395 nan 8.300 nan 0.000 0.457 377 N N 0.083 118.449 118.700 -0.558 0.000 2.489 377 N HA 0.692 5.432 4.740 -0.000 0.000 0.284 377 N C -1.767 173.586 175.510 -0.261 0.000 1.158 377 N CA -0.145 52.590 53.050 -0.526 0.000 0.965 377 N CB 1.815 39.993 38.487 -0.516 0.000 1.195 377 N HN 1.055 nan 8.380 nan 0.000 0.506 378 c N 1.816 120.273 118.600 -0.238 0.000 3.234 378 c HA 0.544 5.114 4.570 -0.000 0.000 0.439 378 c C 0.743 174.817 174.090 -0.027 0.000 0.946 378 c CA 0.191 56.426 56.329 -0.157 0.000 1.193 378 c CB -0.252 42.010 42.510 -0.414 0.000 1.579 378 c HN 1.160 nan 8.230 nan 0.000 0.614 379 G N 3.411 112.177 108.800 -0.057 0.000 2.233 379 G HA2 0.155 4.115 3.960 -0.000 0.000 0.270 379 G HA3 0.155 4.115 3.960 -0.000 0.000 0.270 379 G C 1.751 176.599 174.900 -0.087 0.000 1.011 379 G CA 1.734 46.816 45.100 -0.031 0.000 0.762 379 G HN 3.037 nan 8.290 nan 0.000 0.511 380 G N -1.779 106.910 108.800 -0.185 0.000 2.184 380 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.264 380 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.264 380 G C 0.129 174.807 174.900 -0.370 0.000 0.975 380 G CA 1.020 45.961 45.100 -0.265 0.000 0.642 380 G HN 1.005 nan 8.290 nan 0.000 0.536 381 E N -0.470 119.573 120.200 -0.262 0.000 2.214 381 E HA 0.615 4.965 4.350 -0.000 0.000 0.274 381 E C -0.634 175.775 176.600 -0.318 0.000 0.977 381 E CA -0.804 55.460 56.400 -0.227 0.000 0.827 381 E CB 0.931 30.574 29.700 -0.094 0.000 1.130 381 E HN 0.146 nan 8.360 nan 0.000 0.394 382 F N 1.628 121.562 119.950 -0.027 0.000 2.391 382 F HA 0.291 4.818 4.527 -0.000 0.000 0.359 382 F C 0.111 175.892 175.800 -0.031 0.000 1.122 382 F CA -0.625 57.359 58.000 -0.026 0.000 1.120 382 F CB 0.369 39.504 39.000 0.225 0.000 1.142 382 F HN 0.257 nan 8.300 nan 0.000 0.483 383 F N 2.649 122.280 119.950 -0.531 0.000 2.379 383 F HA 0.425 4.952 4.527 -0.000 0.000 0.332 383 F C -0.605 174.973 175.800 -0.370 0.000 1.096 383 F CA -1.182 56.489 58.000 -0.549 0.000 1.105 383 F CB 0.690 38.878 39.000 -1.354 0.000 1.189 383 F HN 0.259 nan 8.300 nan 0.000 0.515 384 Y N 1.115 121.463 120.300 0.081 0.000 2.333 384 Y HA 0.428 4.978 4.550 -0.000 0.000 0.324 384 Y C -0.783 175.231 175.900 0.190 0.000 1.033 384 Y CA -0.998 57.210 58.100 0.179 0.000 1.224 384 Y CB 1.526 40.074 38.460 0.146 0.000 1.120 384 Y HN 0.458 nan 8.280 nan 0.000 0.457 385 c N 2.928 121.749 118.600 0.369 0.000 2.345 385 c HA 0.303 4.873 4.570 -0.000 0.000 0.323 385 c C 0.439 174.702 174.090 0.289 0.000 1.276 385 c CA -1.267 55.267 56.329 0.341 0.000 1.543 385 c CB 0.638 43.400 42.510 0.421 0.000 2.211 385 c HN 0.747 nan 8.230 nan 0.000 0.493 386 N N 1.892 120.724 118.700 0.220 0.000 2.399 386 N HA -0.051 4.689 4.740 -0.000 0.000 0.284 386 N C 1.138 176.749 175.510 0.168 0.000 1.283 386 N CA 0.240 53.399 53.050 0.180 0.000 0.972 386 N CB 0.767 39.335 38.487 0.136 0.000 1.328 386 N HN 0.887 nan 8.380 nan 0.000 0.486 387 S N 1.103 116.930 115.700 0.211 0.000 2.605 387 S HA -0.012 4.458 4.470 -0.000 0.000 0.217 387 S C 1.586 176.327 174.600 0.236 0.000 0.958 387 S CA -0.085 58.239 58.200 0.206 0.000 0.919 387 S CB 0.048 63.453 63.200 0.341 0.000 0.780 387 S HN 0.416 nan 8.310 nan 0.000 0.507 388 T N 3.125 117.804 114.554 0.208 0.000 2.649 388 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 388 T C 1.748 176.537 174.700 0.148 0.000 1.036 388 T CA 2.126 64.350 62.100 0.206 0.000 1.157 388 T CB -0.510 68.444 68.868 0.143 0.000 0.861 388 T HN 0.569 nan 8.240 nan 0.000 0.445 389 Q N -0.061 119.775 119.800 0.060 0.000 2.308 389 Q HA -0.039 4.301 4.340 -0.000 0.000 0.209 389 Q C 2.162 178.108 176.000 -0.090 0.000 0.985 389 Q CA 0.969 56.770 55.803 -0.004 0.000 0.881 389 Q CB -0.284 28.431 28.738 -0.038 0.000 0.917 389 Q HN 0.526 nan 8.270 nan 0.000 0.443 390 L N -1.433 119.654 121.223 -0.228 0.000 2.307 390 L HA 0.028 4.368 4.340 -0.000 0.000 0.211 390 L C 0.167 176.739 176.870 -0.497 0.000 1.099 390 L CA 0.235 54.723 54.840 -0.587 0.000 0.816 390 L CB 0.344 41.716 42.059 -1.145 0.000 0.952 390 L HN 0.096 nan 8.230 nan 0.000 0.455 391 F N -0.105 119.963 119.950 0.196 0.000 2.471 391 F HA 0.314 4.842 4.527 0.000 0.000 0.318 391 F C 0.144 176.111 175.800 0.280 0.000 1.308 391 F CA -0.598 57.572 58.000 0.283 0.000 1.162 391 F CB 0.275 39.438 39.000 0.272 0.000 1.383 391 F HN -0.121 nan 8.300 nan 0.000 0.552 392 N N 1.971 120.888 118.700 0.362 0.000 2.716 392 N HA 0.271 5.011 4.740 -0.000 0.000 0.245 392 N C -1.284 174.386 175.510 0.267 0.000 1.495 392 N CA -0.101 53.116 53.050 0.279 0.000 0.759 392 N CB 0.773 39.365 38.487 0.175 0.000 1.261 392 N HN 0.306 nan 8.380 nan 0.000 0.515 393 S N -0.652 115.281 115.700 0.388 0.000 2.567 393 S HA 0.634 5.104 4.470 -0.000 0.000 0.270 393 S C -1.237 173.529 174.600 0.277 0.000 1.152 393 S CA -0.687 57.686 58.200 0.289 0.000 0.835 393 S CB 1.564 64.966 63.200 0.337 0.000 1.115 393 S HN 0.012 nan 8.310 nan 0.000 0.459 394 T N 2.110 116.601 114.554 -0.106 0.000 2.841 394 T HA 0.603 4.953 4.350 -0.000 0.000 0.285 394 T C -1.560 172.882 174.700 -0.430 0.000 0.991 394 T CA -0.220 61.813 62.100 -0.111 0.000 0.966 394 T CB 0.356 69.174 68.868 -0.082 0.000 0.962 394 T HN 0.598 nan 8.240 nan 0.000 0.438 395 W N 1.696 122.870 121.300 -0.210 0.000 2.689 395 W HA 0.610 5.270 4.660 -0.000 0.000 0.340 395 W C -0.028 176.214 176.519 -0.462 0.000 1.060 395 W CA -1.562 55.463 57.345 -0.533 0.000 1.218 395 W CB 0.180 29.085 29.460 -0.924 0.000 1.410 395 W HN 0.797 nan 8.180 nan 0.000 0.528 396 F N 0.362 120.444 119.950 0.220 0.000 3.084 396 F HA -0.389 4.138 4.527 -0.000 0.000 0.286 396 F C 1.243 177.087 175.800 0.073 0.000 0.855 396 F CA 0.209 58.288 58.000 0.131 0.000 1.091 396 F CB -1.635 37.447 39.000 0.135 0.000 1.177 396 F HN 0.471 nan 8.300 nan 0.000 0.542 411 S N 0.333 116.034 115.700 0.001 0.000 2.614 411 S HA 0.380 4.850 4.470 -0.000 0.000 0.265 411 S C 1.001 175.603 174.600 0.003 0.000 1.303 411 S CA 0.785 58.984 58.200 -0.001 0.000 1.000 411 S CB 1.428 64.625 63.200 -0.004 0.000 0.935 411 S HN 0.445 nan 8.310 nan 0.000 0.551 412 D N 1.001 121.402 120.400 0.001 0.000 2.154 412 D HA -0.031 4.609 4.640 -0.000 0.000 0.211 412 D C 0.604 176.907 176.300 0.005 0.000 0.977 412 D CA 1.205 55.208 54.000 0.005 0.000 0.869 412 D CB -0.252 40.551 40.800 0.004 0.000 1.022 412 D HN 0.558 nan 8.370 nan 0.000 0.461 413 T N 0.526 115.079 114.554 -0.002 0.000 2.772 413 T HA 0.454 4.804 4.350 -0.000 0.000 0.288 413 T C 0.188 174.877 174.700 -0.018 0.000 0.994 413 T CA -0.703 61.394 62.100 -0.006 0.000 0.951 413 T CB -0.000 68.868 68.868 0.001 0.000 0.933 413 T HN 0.032 nan 8.240 nan 0.000 0.447 414 I N 5.454 126.001 120.570 -0.038 0.000 2.664 414 I HA 0.112 4.282 4.170 -0.000 0.000 0.284 414 I C 0.683 176.772 176.117 -0.047 0.000 1.154 414 I CA 0.167 61.430 61.300 -0.062 0.000 1.402 414 I CB 0.382 38.304 38.000 -0.130 0.000 1.395 414 I HN 0.584 nan 8.210 nan 0.000 0.545 415 T N 7.638 122.177 114.554 -0.024 0.000 2.743 415 T HA 0.420 4.770 4.350 -0.000 0.000 0.292 415 T C -0.169 174.548 174.700 0.029 0.000 0.972 415 T CA -0.575 61.532 62.100 0.012 0.000 0.967 415 T CB 0.839 69.684 68.868 -0.037 0.000 0.926 415 T HN 0.105 nan 8.240 nan 0.000 0.459 416 L N 6.857 128.125 121.223 0.075 0.000 2.276 416 L HA 0.406 4.746 4.340 -0.000 0.000 0.286 416 L C -1.934 175.033 176.870 0.161 0.000 1.061 416 L CA -2.640 52.258 54.840 0.096 0.000 0.807 416 L CB 0.550 42.665 42.059 0.093 0.000 1.177 416 L HN 0.366 nan 8.230 nan 0.000 0.429 417 P HA 0.194 nan 4.420 nan 0.000 0.271 417 P C -0.781 176.626 177.300 0.179 0.000 1.216 417 P CA -0.206 62.981 63.100 0.144 0.000 0.771 417 P CB 1.070 32.830 31.700 0.100 0.000 0.864 418 c N 2.910 121.624 118.600 0.190 0.000 3.256 418 c HA 0.769 5.339 4.570 -0.000 0.000 0.361 418 c C 0.004 174.164 174.090 0.117 0.000 1.665 418 c CA -0.558 55.890 56.329 0.199 0.000 1.445 418 c CB 2.142 44.821 42.510 0.282 0.000 2.144 418 c HN 0.636 nan 8.230 nan 0.000 0.448 419 R N 0.297 120.843 120.500 0.078 0.000 2.808 419 R HA 0.459 4.799 4.340 -0.000 0.000 0.254 419 R C -2.174 174.084 176.300 -0.071 0.000 1.145 419 R CA -0.463 55.632 56.100 -0.007 0.000 1.066 419 R CB 0.744 31.050 30.300 0.011 0.000 1.268 419 R HN 0.633 nan 8.270 nan 0.000 0.447 420 I N 3.647 124.097 120.570 -0.200 0.000 2.581 420 I HA 0.292 4.462 4.170 -0.000 0.000 0.288 420 I C 0.188 176.270 176.117 -0.057 0.000 1.047 420 I CA 0.204 61.383 61.300 -0.202 0.000 1.374 420 I CB 1.081 38.906 38.000 -0.292 0.000 1.423 420 I HN 0.373 nan 8.210 nan 0.000 0.549 421 K N 4.430 124.861 120.400 0.053 0.000 2.328 421 K HA 0.422 4.742 4.320 -0.000 0.000 0.246 421 K C -0.098 176.580 176.600 0.131 0.000 0.955 421 K CA -0.751 55.529 56.287 -0.012 0.000 0.817 421 K CB 1.787 34.133 32.500 -0.256 0.000 1.208 421 K HN 0.279 nan 8.250 nan 0.000 0.432 422 Q N 0.497 120.354 119.800 0.094 0.000 2.384 422 Q HA 0.270 4.610 4.340 -0.000 0.000 0.207 422 Q C -0.143 175.958 176.000 0.168 0.000 0.904 422 Q CA 0.547 56.456 55.803 0.176 0.000 0.933 422 Q CB 0.505 29.310 28.738 0.111 0.000 1.077 422 Q HN 0.440 nan 8.270 nan 0.000 0.522 423 I N 1.783 122.395 120.570 0.069 0.000 2.428 423 I HA 0.237 4.407 4.170 -0.000 0.000 0.279 423 I C -0.886 175.229 176.117 -0.003 0.000 1.040 423 I CA -0.715 60.596 61.300 0.019 0.000 1.171 423 I CB 0.794 38.776 38.000 -0.030 0.000 1.312 423 I HN -0.047 nan 8.210 nan 0.000 0.470 424 I N 4.802 125.392 120.570 0.033 0.000 2.488 424 I HA 0.271 4.441 4.170 -0.000 0.000 0.299 424 I C 0.405 176.482 176.117 -0.065 0.000 0.984 424 I CA -0.721 60.569 61.300 -0.016 0.000 1.250 424 I CB 0.934 38.876 38.000 -0.097 0.000 1.389 424 I HN 0.421 nan 8.210 nan 0.000 0.488 425 N N 6.004 124.633 118.700 -0.119 0.000 2.422 425 N HA 0.325 5.065 4.740 -0.000 0.000 0.264 425 N C -0.109 175.312 175.510 -0.149 0.000 1.063 425 N CA -0.276 52.693 53.050 -0.135 0.000 0.959 425 N CB 1.177 39.566 38.487 -0.164 0.000 1.087 425 N HN 0.475 nan 8.380 nan 0.000 0.483 426 M N 1.451 120.997 119.600 -0.089 0.000 2.232 426 M HA 0.066 4.546 4.480 -0.000 0.000 0.321 426 M C 1.498 177.782 176.300 -0.026 0.000 1.101 426 M CA -0.036 55.226 55.300 -0.064 0.000 1.181 426 M CB 0.871 33.401 32.600 -0.116 0.000 1.432 426 M HN 0.669 nan 8.290 nan 0.000 0.457 427 W N -0.012 121.296 121.300 0.013 0.000 2.762 427 W HA 0.098 4.758 4.660 0.000 0.000 0.265 427 W C 1.340 177.916 176.519 0.095 0.000 1.263 427 W CA 0.076 57.449 57.345 0.047 0.000 1.411 427 W CB -1.276 28.290 29.460 0.177 0.000 1.065 427 W HN 0.554 nan 8.180 nan 0.000 0.609 428 c N 2.300 120.395 118.600 -0.841 0.000 2.504 428 c HA -0.088 4.482 4.570 -0.000 0.000 0.285 428 c C 1.559 175.527 174.090 -0.203 0.000 1.225 428 c CA 1.860 57.749 56.329 -0.733 0.000 1.755 428 c CB -0.998 40.968 42.510 -0.907 0.000 2.065 428 c HN 0.269 nan 8.230 nan 0.000 0.452 429 K N -0.376 119.910 120.400 -0.189 0.000 2.306 429 K HA 0.577 4.897 4.320 -0.000 0.000 0.236 429 K C -1.139 175.416 176.600 -0.074 0.000 1.013 429 K CA -0.583 55.654 56.287 -0.083 0.000 0.857 429 K CB 1.114 33.570 32.500 -0.073 0.000 1.214 429 K HN -0.093 nan 8.250 nan 0.000 0.449 430 V N 2.070 121.956 119.914 -0.046 0.000 2.324 430 V HA 0.027 4.147 4.120 -0.000 0.000 0.244 430 V C -0.588 175.474 176.094 -0.053 0.000 1.144 430 V CA 0.021 62.294 62.300 -0.046 0.000 1.158 430 V CB -1.296 30.507 31.823 -0.033 0.000 1.254 430 V HN 0.671 nan 8.190 nan 0.000 0.492 431 c N 4.017 122.578 118.600 -0.065 0.000 3.080 431 c HA 0.587 5.157 4.570 -0.000 0.000 0.307 431 c C 0.067 174.117 174.090 -0.067 0.000 1.311 431 c CA -1.523 54.768 56.329 -0.063 0.000 1.533 431 c CB 2.339 44.809 42.510 -0.067 0.000 1.970 431 c HN 0.695 nan 8.230 nan 0.000 0.467 432 K N 0.853 121.214 120.400 -0.064 0.000 2.164 432 K HA 0.788 5.108 4.320 -0.000 0.000 0.258 432 K C -0.705 175.847 176.600 -0.079 0.000 0.951 432 K CA 0.032 56.279 56.287 -0.067 0.000 0.844 432 K CB 1.554 34.017 32.500 -0.062 0.000 1.099 432 K HN 0.870 nan 8.250 nan 0.000 0.435 433 A N 3.136 125.905 122.820 -0.085 0.000 2.455 433 A HA 0.525 4.845 4.320 -0.000 0.000 0.300 433 A C -1.340 176.132 177.584 -0.187 0.000 1.040 433 A CA -0.715 51.223 52.037 -0.165 0.000 0.697 433 A CB 1.296 20.187 19.000 -0.182 0.000 1.265 433 A HN 0.728 nan 8.150 nan 0.000 0.407 434 M N 2.846 122.291 119.600 -0.259 0.000 2.149 434 M HA 0.558 5.038 4.480 -0.000 0.000 0.342 434 M C -1.750 174.369 176.300 -0.302 0.000 1.068 434 M CA -0.317 54.885 55.300 -0.164 0.000 0.991 434 M CB 0.687 33.232 32.600 -0.093 0.000 1.596 434 M HN 0.776 nan 8.290 nan 0.000 0.439 435 Y N 1.806 122.159 120.300 0.087 0.000 2.545 435 Y HA 0.699 5.249 4.550 0.000 0.000 0.324 435 Y C 0.555 176.508 175.900 0.088 0.000 1.220 435 Y CA -0.664 57.510 58.100 0.122 0.000 1.290 435 Y CB 1.116 39.709 38.460 0.221 0.000 1.355 435 Y HN 0.710 nan 8.280 nan 0.000 0.516 436 A N 1.518 124.489 122.820 0.253 0.000 2.322 436 A HA 0.552 4.872 4.320 -0.000 0.000 0.269 436 A C -2.543 175.121 177.584 0.133 0.000 1.094 436 A CA -1.630 50.495 52.037 0.146 0.000 0.807 436 A CB -0.363 18.706 19.000 0.115 0.000 1.047 436 A HN 0.444 nan 8.150 nan 0.000 0.487 437 P HA 0.248 nan 4.420 nan 0.000 0.271 437 P C -2.496 174.834 177.300 0.049 0.000 1.233 437 P CA -0.724 62.410 63.100 0.057 0.000 0.789 437 P CB -0.362 31.360 31.700 0.036 0.000 0.951 438 P HA 0.188 nan 4.420 nan 0.000 0.274 438 P C 0.198 177.511 177.300 0.023 0.000 1.231 438 P CA 0.039 63.151 63.100 0.019 0.000 0.790 438 P CB 0.200 31.896 31.700 -0.006 0.000 0.951 439 I N -1.993 118.592 120.570 0.025 0.000 4.009 439 I HA 0.379 4.549 4.170 -0.000 0.000 0.331 439 I C -0.017 176.114 176.117 0.024 0.000 1.462 439 I CA -0.075 61.241 61.300 0.026 0.000 1.117 439 I CB 0.378 38.396 38.000 0.030 0.000 1.091 439 I HN 0.117 nan 8.210 nan 0.000 0.410 440 S N 0.030 115.744 115.700 0.022 0.000 2.542 440 S HA 0.716 5.186 4.470 -0.000 0.000 0.293 440 S C 0.667 175.281 174.600 0.023 0.000 1.089 440 S CA -0.108 58.107 58.200 0.024 0.000 0.961 440 S CB 1.733 64.950 63.200 0.029 0.000 1.062 440 S HN 0.334 nan 8.310 nan 0.000 0.483 441 G N 1.450 110.265 108.800 0.024 0.000 3.233 441 G HA2 0.235 4.195 3.960 -0.000 0.000 0.234 441 G HA3 0.235 4.195 3.960 -0.000 0.000 0.234 441 G C 0.056 174.975 174.900 0.031 0.000 1.137 441 G CA -0.144 44.971 45.100 0.025 0.000 0.763 441 G HN 0.636 nan 8.290 nan 0.000 0.549 442 Q N 0.796 120.616 119.800 0.033 0.000 3.122 442 Q HA 0.348 4.688 4.340 -0.000 0.000 0.282 442 Q C -0.835 175.193 176.000 0.045 0.000 0.947 442 Q CA -0.243 55.581 55.803 0.036 0.000 0.812 442 Q CB 1.151 29.907 28.738 0.029 0.000 1.333 442 Q HN 0.273 nan 8.270 nan 0.000 0.430 443 I N 2.508 123.117 120.570 0.066 0.000 2.310 443 I HA 0.373 4.543 4.170 -0.000 0.000 0.287 443 I C -0.092 176.088 176.117 0.104 0.000 1.073 443 I CA -0.478 60.882 61.300 0.101 0.000 1.216 443 I CB 0.206 38.303 38.000 0.162 0.000 1.415 443 I HN 0.150 nan 8.210 nan 0.000 0.480 444 R N 4.174 124.703 120.500 0.048 0.000 2.604 444 R HA 0.616 4.956 4.340 -0.000 0.000 0.287 444 R C -1.125 175.157 176.300 -0.030 0.000 0.970 444 R CA -0.623 55.483 56.100 0.011 0.000 0.946 444 R CB 2.292 32.593 30.300 0.002 0.000 1.127 444 R HN 0.489 nan 8.270 nan 0.000 0.473 445 c N 1.380 119.937 118.600 -0.071 0.000 2.919 445 c HA 0.273 4.843 4.570 -0.000 0.000 0.337 445 c C -0.510 173.506 174.090 -0.124 0.000 1.039 445 c CA -0.521 55.737 56.329 -0.119 0.000 1.373 445 c CB 0.444 42.830 42.510 -0.207 0.000 1.843 445 c HN 0.773 nan 8.230 nan 0.000 0.493 446 S N 2.781 118.426 115.700 -0.091 0.000 2.420 446 S HA 0.644 5.114 4.470 -0.000 0.000 0.313 446 S C -0.067 174.478 174.600 -0.093 0.000 1.079 446 S CA -0.374 57.775 58.200 -0.084 0.000 1.104 446 S CB 1.040 64.210 63.200 -0.051 0.000 0.969 446 S HN 0.720 nan 8.310 nan 0.000 0.471 447 S N 2.730 118.356 115.700 -0.123 0.000 2.638 447 S HA 0.506 4.976 4.470 -0.000 0.000 0.302 447 S C -0.590 173.955 174.600 -0.092 0.000 1.096 447 S CA -1.101 57.030 58.200 -0.115 0.000 0.953 447 S CB 0.904 63.999 63.200 -0.175 0.000 1.107 447 S HN 0.626 nan 8.310 nan 0.000 0.503 448 N N 1.724 120.386 118.700 -0.064 0.000 2.469 448 N HA 0.394 5.134 4.740 -0.000 0.000 0.253 448 N C -0.642 174.844 175.510 -0.039 0.000 0.970 448 N CA -0.273 52.752 53.050 -0.042 0.000 0.940 448 N CB 0.754 39.228 38.487 -0.020 0.000 1.128 448 N HN 0.532 nan 8.380 nan 0.000 0.503 449 I N 1.531 122.078 120.570 -0.038 0.000 2.668 449 I HA -0.086 4.084 4.170 -0.000 0.000 0.285 449 I C 1.549 177.673 176.117 0.011 0.000 1.168 449 I CA 0.622 61.916 61.300 -0.011 0.000 1.424 449 I CB 0.327 38.355 38.000 0.047 0.000 1.377 449 I HN 0.565 nan 8.210 nan 0.000 0.560 450 T N 0.765 115.327 114.554 0.014 0.000 3.016 450 T HA 0.438 4.788 4.350 -0.000 0.000 0.271 450 T C 0.364 175.071 174.700 0.012 0.000 0.968 450 T CA 0.043 62.151 62.100 0.013 0.000 0.891 450 T CB 0.698 69.579 68.868 0.022 0.000 1.149 450 T HN 0.796 nan 8.240 nan 0.000 0.524 451 G N 0.685 109.499 108.800 0.023 0.000 2.559 451 G HA2 0.582 4.542 3.960 -0.000 0.000 0.291 451 G HA3 0.582 4.542 3.960 -0.000 0.000 0.291 451 G C -2.534 172.396 174.900 0.050 0.000 1.424 451 G CA -0.835 44.278 45.100 0.022 0.000 0.786 451 G HN 0.231 nan 8.290 nan 0.000 0.485 452 L N -0.973 120.283 121.223 0.055 0.000 2.359 452 L HA 0.691 5.031 4.340 -0.000 0.000 0.256 452 L C -0.449 176.468 176.870 0.080 0.000 1.026 452 L CA -0.644 54.254 54.840 0.096 0.000 0.828 452 L CB 2.120 44.267 42.059 0.146 0.000 1.406 452 L HN 0.481 nan 8.230 nan 0.000 0.413 453 L N 2.640 123.914 121.223 0.084 0.000 2.318 453 L HA 0.569 4.909 4.340 -0.000 0.000 0.277 453 L C -0.737 176.171 176.870 0.063 0.000 1.008 453 L CA -0.227 54.652 54.840 0.065 0.000 0.846 453 L CB 0.953 43.038 42.059 0.043 0.000 1.220 453 L HN 0.370 nan 8.230 nan 0.000 0.423 454 L N 1.886 123.166 121.223 0.094 0.000 2.365 454 L HA 0.726 5.066 4.340 -0.000 0.000 0.267 454 L C 0.077 177.022 176.870 0.126 0.000 1.033 454 L CA -0.492 54.421 54.840 0.121 0.000 0.802 454 L CB 2.067 44.251 42.059 0.208 0.000 1.267 454 L HN 0.422 nan 8.230 nan 0.000 0.457 455 T N 0.420 115.057 114.554 0.139 0.000 2.971 455 T HA 0.314 4.664 4.350 -0.000 0.000 0.304 455 T C -0.881 173.861 174.700 0.069 0.000 1.038 455 T CA -0.592 61.564 62.100 0.093 0.000 1.007 455 T CB 1.991 70.873 68.868 0.023 0.000 1.055 455 T HN 0.434 nan 8.240 nan 0.000 0.451 456 R N 2.052 122.544 120.500 -0.013 0.000 2.265 456 R HA 0.287 4.627 4.340 -0.000 0.000 0.319 456 R C 0.254 176.393 176.300 -0.269 0.000 1.006 456 R CA -0.420 55.498 56.100 -0.304 0.000 0.880 456 R CB 0.655 30.737 30.300 -0.363 0.000 1.077 456 R HN 0.573 nan 8.270 nan 0.000 0.454 457 D N 2.800 123.002 120.400 -0.330 0.000 2.108 457 D HA -0.067 4.573 4.640 -0.000 0.000 0.190 457 D C 1.072 177.256 176.300 -0.193 0.000 0.995 457 D CA 2.153 56.025 54.000 -0.214 0.000 0.834 457 D CB -0.258 40.420 40.800 -0.203 0.000 0.967 457 D HN 0.849 nan 8.370 nan 0.000 0.446 458 G N -0.780 107.866 108.800 -0.255 0.000 2.569 458 G HA2 0.223 4.183 3.960 -0.000 0.000 0.259 458 G HA3 0.223 4.183 3.960 -0.000 0.000 0.259 458 G C 0.462 175.291 174.900 -0.118 0.000 1.263 458 G CA -0.003 44.987 45.100 -0.183 0.000 0.928 458 G HN 1.285 nan 8.290 nan 0.000 0.572 459 G N -1.698 107.057 108.800 -0.076 0.000 2.719 459 G HA2 0.268 4.228 3.960 -0.000 0.000 0.686 459 G HA3 0.268 4.228 3.960 -0.000 0.000 0.686 459 G C -0.366 174.507 174.900 -0.044 0.000 1.201 459 G CA 0.456 45.525 45.100 -0.052 0.000 0.768 459 G HN 1.886 nan 8.290 nan 0.000 0.629 460 N N 0.015 118.698 118.700 -0.029 0.000 2.458 460 N HA 0.480 5.220 4.740 -0.000 0.000 0.258 460 N C 0.407 175.903 175.510 -0.024 0.000 1.219 460 N CA 0.953 53.990 53.050 -0.021 0.000 0.902 460 N CB 1.466 39.946 38.487 -0.013 0.000 1.076 460 N HN 1.210 nan 8.380 nan 0.000 0.455 461 S N 0.711 116.399 115.700 -0.020 0.000 2.286 461 S HA 0.013 4.483 4.470 -0.000 0.000 0.228 461 S C -0.037 174.554 174.600 -0.015 0.000 0.668 461 S CA -0.836 57.352 58.200 -0.020 0.000 0.856 461 S CB -0.869 62.314 63.200 -0.030 0.000 1.333 461 S HN 0.616 nan 8.310 nan 0.000 0.406 462 N N 2.574 121.269 118.700 -0.008 0.000 2.659 462 N HA -0.130 4.610 4.740 -0.000 0.000 0.194 462 N C 0.341 175.850 175.510 -0.002 0.000 1.140 462 N CA 0.540 53.588 53.050 -0.003 0.000 0.936 462 N CB -0.548 37.938 38.487 -0.000 0.000 0.970 462 N HN 0.622 nan 8.380 nan 0.000 0.449 463 N N 1.775 120.471 118.700 -0.007 0.000 2.492 463 N HA -0.071 4.669 4.740 -0.000 0.000 0.262 463 N C -0.853 174.655 175.510 -0.005 0.000 1.202 463 N CA 0.264 53.311 53.050 -0.006 0.000 0.926 463 N CB 0.318 38.797 38.487 -0.012 0.000 1.078 463 N HN 0.215 nan 8.380 nan 0.000 0.454 464 E N 1.708 121.911 120.200 0.006 0.000 2.079 464 E HA 0.248 4.598 4.350 -0.000 0.000 0.252 464 E C -0.908 175.705 176.600 0.023 0.000 0.992 464 E CA -0.412 55.997 56.400 0.015 0.000 0.829 464 E CB 0.164 29.879 29.700 0.025 0.000 1.158 464 E HN 0.678 nan 8.360 nan 0.000 0.435 465 S N 1.983 117.685 115.700 0.004 0.000 2.586 465 S HA 0.329 4.799 4.470 -0.000 0.000 0.277 465 S C -1.071 173.493 174.600 -0.060 0.000 1.131 465 S CA -1.162 57.044 58.200 0.009 0.000 0.848 465 S CB 1.921 65.130 63.200 0.015 0.000 1.091 465 S HN 0.115 nan 8.310 nan 0.000 0.453 466 E N 1.799 121.956 120.200 -0.071 0.000 2.199 466 E HA 0.478 4.828 4.350 -0.000 0.000 0.265 466 E C -0.570 175.802 176.600 -0.380 0.000 0.882 466 E CA -0.607 55.613 56.400 -0.301 0.000 0.759 466 E CB 1.762 31.229 29.700 -0.389 0.000 1.148 466 E HN 0.688 nan 8.360 nan 0.000 0.412 467 I N 2.904 123.164 120.570 -0.516 0.000 2.353 467 I HA 0.390 4.560 4.170 -0.000 0.000 0.293 467 I C -0.212 175.550 176.117 -0.591 0.000 0.992 467 I CA -0.483 60.606 61.300 -0.353 0.000 1.268 467 I CB 0.164 38.047 38.000 -0.194 0.000 1.387 467 I HN 0.289 nan 8.210 nan 0.000 0.478 468 F N 4.725 124.615 119.950 -0.100 0.000 2.551 468 F HA 0.634 5.161 4.527 -0.000 0.000 0.316 468 F C 0.182 176.022 175.800 0.068 0.000 1.089 468 F CA -0.734 57.257 58.000 -0.016 0.000 0.915 468 F CB 1.797 40.810 39.000 0.022 0.000 1.186 468 F HN 0.316 nan 8.300 nan 0.000 0.456 469 R N 1.770 122.374 120.500 0.174 0.000 2.795 469 R HA 0.482 4.822 4.340 -0.000 0.000 0.275 469 R C -2.972 173.238 176.300 -0.150 0.000 0.981 469 R CA -2.225 53.870 56.100 -0.008 0.000 0.917 469 R CB 2.082 32.372 30.300 -0.016 0.000 1.202 469 R HN 0.240 nan 8.270 nan 0.000 0.469 470 P HA 0.072 nan 4.420 nan 0.000 0.276 470 P C -0.501 176.708 177.300 -0.151 0.000 1.253 470 P CA 0.154 62.980 63.100 -0.457 0.000 0.766 470 P CB 1.272 32.477 31.700 -0.825 0.000 0.845 471 G N 2.003 110.770 108.800 -0.055 0.000 3.019 471 G HA2 0.737 4.697 3.960 -0.000 0.000 0.152 471 G HA3 0.737 4.697 3.960 -0.000 0.000 0.152 471 G C 0.101 175.013 174.900 0.020 0.000 1.320 471 G CA -0.449 44.645 45.100 -0.009 0.000 1.013 471 G HN 0.779 nan 8.290 nan 0.000 0.593 472 G N -3.040 105.770 108.800 0.016 0.000 2.631 472 G HA2 0.437 4.397 3.960 -0.000 0.000 0.504 472 G HA3 0.437 4.397 3.960 -0.000 0.000 0.504 472 G C 0.784 175.696 174.900 0.020 0.000 1.306 472 G CA 0.743 45.854 45.100 0.018 0.000 0.897 472 G HN 2.468 nan 8.290 nan 0.000 0.520 473 G N -1.358 107.458 108.800 0.027 0.000 2.336 473 G HA2 0.066 4.026 3.960 -0.000 0.000 0.194 473 G HA3 0.066 4.026 3.960 -0.000 0.000 0.194 473 G C 0.170 175.093 174.900 0.038 0.000 0.999 473 G CA 0.967 46.092 45.100 0.042 0.000 0.669 473 G HN 1.748 nan 8.290 nan 0.000 0.482 474 D N 1.184 121.572 120.400 -0.020 0.000 2.540 474 D HA 0.526 5.166 4.640 -0.000 0.000 0.251 474 D C 1.914 178.117 176.300 -0.162 0.000 1.159 474 D CA -0.751 53.222 54.000 -0.045 0.000 0.974 474 D CB 0.183 40.944 40.800 -0.065 0.000 0.996 474 D HN -0.017 nan 8.370 nan 0.000 0.512 475 M N 1.410 120.901 119.600 -0.181 0.000 2.322 475 M HA -0.248 4.232 4.480 -0.000 0.000 0.253 475 M C 1.718 177.406 176.300 -1.021 0.000 1.098 475 M CA 1.422 56.358 55.300 -0.608 0.000 1.041 475 M CB -0.333 31.983 32.600 -0.473 0.000 1.379 475 M HN 0.322 nan 8.290 nan 0.000 0.413 476 R N -0.646 119.540 120.500 -0.524 0.000 2.096 476 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 476 R C 1.714 177.879 176.300 -0.225 0.000 1.127 476 R CA 1.324 57.226 56.100 -0.330 0.000 0.968 476 R CB -0.550 29.653 30.300 -0.161 0.000 0.861 476 R HN 0.400 nan 8.270 nan 0.000 0.440 477 D N 0.657 120.929 120.400 -0.214 0.000 2.133 477 D HA -0.145 4.494 4.640 -0.000 0.000 0.195 477 D C 1.454 177.697 176.300 -0.094 0.000 0.997 477 D CA 1.291 55.231 54.000 -0.100 0.000 0.840 477 D CB -0.310 40.437 40.800 -0.090 0.000 0.947 477 D HN 0.184 nan 8.370 nan 0.000 0.452 478 N N 0.073 118.579 118.700 -0.323 0.000 2.084 478 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 478 N C 1.858 177.383 175.510 0.025 0.000 1.030 478 N CA 0.902 53.777 53.050 -0.292 0.000 0.849 478 N CB -0.753 37.347 38.487 -0.646 0.000 1.012 478 N HN 0.493 nan 8.380 nan 0.000 0.423 479 W N 1.178 122.572 121.300 0.156 0.000 2.388 479 W HA 0.047 4.707 4.660 -0.000 0.000 0.294 479 W C 2.307 178.968 176.519 0.237 0.000 1.212 479 W CA -0.310 57.147 57.345 0.186 0.000 1.271 479 W CB -0.160 29.419 29.460 0.197 0.000 1.126 479 W HN -0.012 nan 8.180 nan 0.000 0.535 480 R N 0.924 121.662 120.500 0.397 0.000 2.096 480 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 480 R C 2.454 179.054 176.300 0.500 0.000 1.127 480 R CA 1.828 58.197 56.100 0.448 0.000 0.968 480 R CB -0.710 29.816 30.300 0.377 0.000 0.861 480 R HN 0.196 nan 8.270 nan 0.000 0.440 481 S N 0.265 116.181 115.700 0.360 0.000 2.469 481 S HA -0.105 4.365 4.470 -0.000 0.000 0.238 481 S C 1.467 176.326 174.600 0.432 0.000 0.998 481 S CA 1.007 59.378 58.200 0.285 0.000 0.957 481 S CB 0.075 63.379 63.200 0.173 0.000 0.764 481 S HN 0.264 nan 8.310 nan 0.000 0.514 482 E N 0.431 120.928 120.200 0.495 0.000 2.364 482 E HA 0.304 4.654 4.350 -0.000 0.000 0.203 482 E C 1.530 178.435 176.600 0.509 0.000 0.888 482 E CA 0.241 56.949 56.400 0.514 0.000 0.989 482 E CB 0.036 30.003 29.700 0.445 0.000 0.985 482 E HN 0.508 nan 8.360 nan 0.000 0.499 483 L N 1.426 122.945 121.223 0.493 0.000 2.607 483 L HA 0.051 4.391 4.340 -0.000 0.000 0.228 483 L C 2.049 179.166 176.870 0.412 0.000 1.123 483 L CA -0.058 55.062 54.840 0.466 0.000 0.890 483 L CB -0.320 41.955 42.059 0.360 0.000 1.103 483 L HN 0.165 nan 8.230 nan 0.000 0.468 484 Y N 0.947 121.455 120.300 0.347 0.000 2.207 484 Y HA -0.255 4.295 4.550 -0.000 0.000 0.287 484 Y C 2.035 178.077 175.900 0.237 0.000 1.156 484 Y CA 1.245 59.523 58.100 0.297 0.000 1.182 484 Y CB -0.844 37.636 38.460 0.033 0.000 0.979 484 Y HN 0.187 nan 8.280 nan 0.000 0.521 485 K N -0.722 119.222 120.400 -0.759 0.000 2.569 485 K HA 0.140 4.460 4.320 -0.000 0.000 0.193 485 K C -1.140 175.119 176.600 -0.567 0.000 1.026 485 K CA 0.106 55.935 56.287 -0.763 0.000 1.093 485 K CB -0.482 31.348 32.500 -1.117 0.000 0.849 485 K HN 0.407 nan 8.250 nan 0.000 0.509 486 Y N 1.232 121.590 120.300 0.097 0.000 2.570 486 Y HA 0.373 4.923 4.550 -0.000 0.000 0.345 486 Y C -0.425 175.717 175.900 0.403 0.000 1.014 486 Y CA -1.182 57.054 58.100 0.227 0.000 1.063 486 Y CB 2.265 40.752 38.460 0.045 0.000 1.272 486 Y HN -0.019 nan 8.280 nan 0.000 0.477 487 K N -0.410 120.256 120.400 0.444 0.000 2.575 487 K HA 0.764 5.084 4.320 -0.000 0.000 0.279 487 K C -2.495 174.148 176.600 0.073 0.000 0.969 487 K CA -0.968 55.420 56.287 0.168 0.000 0.868 487 K CB 2.354 34.782 32.500 -0.120 0.000 1.457 487 K HN 0.468 nan 8.250 nan 0.000 0.426 488 V N 1.984 121.915 119.914 0.028 0.000 2.604 488 V HA 0.741 4.861 4.120 -0.000 0.000 0.305 488 V C -1.508 174.651 176.094 0.109 0.000 1.043 488 V CA -0.480 61.848 62.300 0.046 0.000 0.888 488 V CB 1.629 33.435 31.823 -0.027 0.000 0.995 488 V HN 0.647 nan 8.190 nan 0.000 0.429 489 V N 6.617 126.658 119.914 0.212 0.000 2.841 489 V HA 0.636 4.756 4.120 -0.000 0.000 0.310 489 V C -0.604 175.657 176.094 0.278 0.000 1.090 489 V CA -1.056 61.377 62.300 0.222 0.000 0.930 489 V CB 2.402 34.269 31.823 0.073 0.000 1.014 489 V HN 1.001 nan 8.190 nan 0.000 0.425 490 K N 6.292 126.806 120.400 0.191 0.000 2.453 490 K HA 0.259 4.579 4.320 -0.000 0.000 0.280 490 K C 0.108 176.641 176.600 -0.111 0.000 1.045 490 K CA 0.545 56.753 56.287 -0.132 0.000 1.059 490 K CB -0.153 32.291 32.500 -0.093 0.000 0.901 490 K HN 0.584 nan 8.250 nan 0.000 0.475 491 I N 0.000 120.460 120.570 -0.183 0.000 2.984 491 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 491 I CA 0.000 61.242 61.300 -0.097 0.000 1.566 491 I CB 0.000 37.943 38.000 -0.095 0.000 1.214 491 I HN 0.000 nan 8.210 nan 0.000 0.494