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 3k38_1_O DATA FIRST_RESID 78 DATA SEQUENCE PEWTYPRLSc PGSTFQKALL ISPHRFGETK GNSAPLIIRE PFIAcGPKEc DATA SEQUENCE KHFALTHYAA QPGGYYNGTR GDRNKLRHLI SVKLGKIPTV ENSIFHMAAW DATA SEQUENCE SGSAcHDGKE WTYIGVDGPE NNALLKIKYG EAYTDTYHSY ANNILRTQES DATA SEQUENCE AcNcIGGNcY LMITDGSASG ISECRFLKIR EGRIIKEIFP TGRVKHTEEc DATA SEQUENCE TcGFASNKTI EcAcRDNSYT AKRPFVKLNV ETDTAEIRLM cTETYLDTPR DATA SEQUENCE PDDGSITGPc ESNGDKGSGG IKGGFVHQRM ASKIGRWYSR TMSKTKRMGM DATA SEQUENCE GLYVKYDGDP WTDSDALALS GVMVSMEEPG WYSFGFEIKD KKcDVPcIGI DATA SEQUENCE EMVHDGGKET WHSAATAIYc LMGSGQLLWD TVTGVDMAL 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 78 P HA 0.000 nan 4.420 nan 0.000 0.216 78 P C 0.000 177.183 177.300 -0.195 0.000 1.155 78 P CA 0.000 63.035 63.100 -0.108 0.000 0.800 78 P CB 0.000 31.648 31.700 -0.087 0.000 0.726 79 E N 0.127 120.225 120.200 -0.168 0.000 2.320 79 E HA 0.566 4.916 4.350 -0.000 0.000 0.264 79 E C -1.008 175.497 176.600 -0.158 0.000 0.923 79 E CA -0.522 55.734 56.400 -0.240 0.000 0.796 79 E CB 0.821 30.470 29.700 -0.085 0.000 1.262 79 E HN 0.405 nan 8.360 nan 0.000 0.428 80 W N 1.536 122.836 121.300 0.000 0.000 2.257 80 W HA 0.102 4.762 4.660 -0.000 0.000 0.337 80 W C 0.674 177.132 176.519 -0.103 0.000 1.321 80 W CA -0.342 56.942 57.345 -0.102 0.000 1.267 80 W CB 0.251 29.587 29.460 -0.207 0.000 1.187 80 W HN 0.328 nan 8.180 nan 0.000 0.565 81 T N 0.295 114.900 114.554 0.085 0.000 2.918 81 T HA 0.557 4.907 4.350 -0.000 0.000 0.283 81 T C -1.030 173.530 174.700 -0.233 0.000 1.001 81 T CA -0.559 61.558 62.100 0.029 0.000 1.041 81 T CB 1.010 69.904 68.868 0.045 0.000 1.028 81 T HN 0.345 nan 8.240 nan 0.000 0.511 82 Y N 0.162 120.423 120.300 -0.065 0.000 2.553 82 Y HA 0.510 5.060 4.550 -0.000 0.000 0.347 82 Y C -2.310 173.447 175.900 -0.239 0.000 1.019 82 Y CA -2.654 55.329 58.100 -0.196 0.000 1.032 82 Y CB 1.988 40.364 38.460 -0.141 0.000 1.284 82 Y HN 0.541 nan 8.280 nan 0.000 0.466 83 P HA 0.230 nan 4.420 nan 0.000 0.268 83 P C -1.043 176.220 177.300 -0.062 0.000 1.205 83 P CA -0.093 62.892 63.100 -0.191 0.000 0.771 83 P CB 1.198 32.691 31.700 -0.346 0.000 0.858 84 R N 1.126 121.616 120.500 -0.017 0.000 2.923 84 R HA 0.551 4.891 4.340 -0.000 0.000 0.252 84 R C -0.268 176.037 176.300 0.008 0.000 1.130 84 R CA -1.289 54.808 56.100 -0.005 0.000 1.043 84 R CB 0.039 30.341 30.300 0.003 0.000 1.205 84 R HN 0.221 nan 8.270 nan 0.000 0.495 85 L N 1.164 122.392 121.223 0.009 0.000 2.559 85 L HA -0.010 4.330 4.340 -0.000 0.000 0.282 85 L C 0.062 176.950 176.870 0.029 0.000 1.232 85 L CA 0.968 55.822 54.840 0.024 0.000 0.885 85 L CB 0.240 42.312 42.059 0.020 0.000 1.131 85 L HN 0.594 nan 8.230 nan 0.000 0.498 86 S N 1.201 116.930 115.700 0.047 0.000 2.579 86 S HA 0.120 4.590 4.470 -0.000 0.000 0.275 86 S C 0.087 174.702 174.600 0.024 0.000 1.345 86 S CA -0.946 57.276 58.200 0.038 0.000 1.031 86 S CB 0.344 63.584 63.200 0.067 0.000 0.892 86 S HN 0.686 nan 8.310 nan 0.000 0.529 87 c N 3.361 121.960 118.600 -0.002 0.000 2.703 87 c HA 0.237 4.807 4.570 -0.000 0.000 0.411 87 c C -1.691 172.400 174.090 0.002 0.000 1.290 87 c CA -1.020 55.303 56.329 -0.011 0.000 2.054 87 c CB -1.018 41.468 42.510 -0.039 0.000 2.732 87 c HN 0.620 nan 8.230 nan 0.000 0.650 88 P HA 0.440 nan 4.420 nan 0.000 0.267 88 P C 0.054 177.364 177.300 0.017 0.000 1.200 88 P CA 1.000 64.113 63.100 0.022 0.000 0.772 88 P CB 0.324 32.032 31.700 0.013 0.000 0.855 89 G N -0.142 108.689 108.800 0.053 0.000 2.358 89 G HA2 0.364 4.323 3.960 -0.000 0.000 0.303 89 G HA3 0.364 4.323 3.960 -0.000 0.000 0.303 89 G C -0.366 174.627 174.900 0.155 0.000 1.537 89 G CA -0.036 45.099 45.100 0.058 0.000 0.928 89 G HN 0.485 nan 8.290 nan 0.000 0.656 90 S N -1.761 114.053 115.700 0.190 0.000 2.893 90 S HA 0.615 5.084 4.470 -0.000 0.000 0.258 90 S C 0.259 175.111 174.600 0.421 0.000 1.034 90 S CA 0.808 59.199 58.200 0.318 0.000 1.167 90 S CB 0.983 64.301 63.200 0.197 0.000 1.137 90 S HN 1.649 nan 8.310 nan 0.000 0.650 91 T N 0.921 115.661 114.554 0.310 0.000 2.942 91 T HA 0.626 4.975 4.350 -0.000 0.000 0.327 91 T C -1.912 172.904 174.700 0.193 0.000 1.360 91 T CA -0.394 61.905 62.100 0.331 0.000 1.055 91 T CB 0.748 69.762 68.868 0.243 0.000 1.261 91 T HN 0.088 nan 8.240 nan 0.000 0.485 92 F N 2.998 122.859 119.950 -0.149 0.000 2.371 92 F HA 0.628 5.155 4.527 -0.000 0.000 0.329 92 F C 0.931 176.766 175.800 0.058 0.000 1.107 92 F CA -0.342 57.574 58.000 -0.141 0.000 1.137 92 F CB 1.196 40.088 39.000 -0.180 0.000 1.214 92 F HN 0.378 nan 8.300 nan 0.000 0.536 93 Q N 0.827 120.729 119.800 0.171 0.000 2.456 93 Q HA 0.214 4.554 4.340 -0.000 0.000 0.283 93 Q C -0.905 175.066 176.000 -0.049 0.000 1.084 93 Q CA -1.217 54.679 55.803 0.155 0.000 0.801 93 Q CB 2.488 31.250 28.738 0.040 0.000 1.434 93 Q HN 0.523 nan 8.270 nan 0.000 0.419 94 K N 0.697 120.955 120.400 -0.237 0.000 2.430 94 K HA 0.151 4.471 4.320 -0.000 0.000 0.280 94 K C 0.181 176.547 176.600 -0.391 0.000 1.063 94 K CA 0.488 56.290 56.287 -0.809 0.000 1.071 94 K CB 0.311 32.597 32.500 -0.357 0.000 0.899 94 K HN 0.700 nan 8.250 nan 0.000 0.473 95 A N 4.889 127.462 122.820 -0.410 0.000 1.944 95 A HA 0.195 4.515 4.320 -0.000 0.000 0.209 95 A C -0.084 177.431 177.584 -0.114 0.000 1.328 95 A CA 0.276 52.200 52.037 -0.189 0.000 0.693 95 A CB 0.195 19.110 19.000 -0.142 0.000 0.994 95 A HN 0.613 nan 8.150 nan 0.000 0.485 96 L N -1.193 119.968 121.223 -0.103 0.000 2.545 96 L HA 0.665 5.005 4.340 -0.000 0.000 0.258 96 L C -1.896 174.964 176.870 -0.017 0.000 0.942 96 L CA -0.544 54.275 54.840 -0.035 0.000 0.855 96 L CB 2.099 44.154 42.059 -0.007 0.000 1.374 96 L HN 0.264 nan 8.230 nan 0.000 0.411 97 L N 5.474 126.703 121.223 0.009 0.000 2.305 97 L HA 0.670 5.010 4.340 -0.000 0.000 0.284 97 L C -1.294 175.607 176.870 0.053 0.000 1.013 97 L CA -0.212 54.650 54.840 0.037 0.000 0.819 97 L CB 1.334 43.417 42.059 0.039 0.000 1.227 97 L HN 0.475 nan 8.230 nan 0.000 0.417 98 I N 4.461 125.070 120.570 0.065 0.000 2.310 98 I HA 0.255 4.425 4.170 -0.000 0.000 0.287 98 I C 0.282 176.486 176.117 0.145 0.000 1.073 98 I CA 0.081 61.446 61.300 0.107 0.000 1.216 98 I CB 0.542 38.618 38.000 0.126 0.000 1.415 98 I HN 0.693 nan 8.210 nan 0.000 0.480 99 S N 8.599 124.368 115.700 0.115 0.000 2.252 99 S HA 0.424 4.894 4.470 -0.000 0.000 0.180 99 S C -1.523 173.090 174.600 0.022 0.000 1.534 99 S CA -1.275 56.987 58.200 0.105 0.000 1.141 99 S CB 0.565 63.799 63.200 0.057 0.000 1.122 99 S HN 0.276 nan 8.310 nan 0.000 0.475 100 P HA -0.088 nan 4.420 nan 0.000 0.220 100 P C 0.798 177.928 177.300 -0.283 0.000 1.148 100 P CA 1.055 64.110 63.100 -0.074 0.000 0.803 100 P CB -0.031 31.548 31.700 -0.202 0.000 0.782 101 H N -1.222 117.768 119.070 -0.133 0.000 2.547 101 H HA 0.190 4.746 4.556 -0.000 0.000 0.266 101 H C 1.610 176.734 175.328 -0.341 0.000 0.988 101 H CA 0.312 56.182 56.048 -0.297 0.000 1.147 101 H CB 0.072 29.571 29.762 -0.438 0.000 1.365 101 H HN 0.067 nan 8.280 nan 0.000 0.589 102 R N 0.445 120.707 120.500 -0.397 0.000 2.341 102 R HA -0.066 4.274 4.340 -0.000 0.000 0.213 102 R C 0.275 176.110 176.300 -0.775 0.000 1.082 102 R CA 0.612 56.332 56.100 -0.633 0.000 1.017 102 R CB -0.168 29.630 30.300 -0.837 0.000 0.860 102 R HN 0.290 nan 8.270 nan 0.000 0.473 103 F N -2.225 117.670 119.950 -0.091 0.000 2.729 103 F HA 0.321 4.847 4.527 -0.000 0.000 0.315 103 F C 1.678 177.405 175.800 -0.122 0.000 1.102 103 F CA -0.461 57.483 58.000 -0.095 0.000 1.204 103 F CB 0.313 39.255 39.000 -0.096 0.000 1.052 103 F HN -0.132 nan 8.300 nan 0.000 0.551 104 G N 0.025 108.780 108.800 -0.075 0.000 3.314 104 G HA2 0.146 4.106 3.960 -0.000 0.000 0.238 104 G HA3 0.146 4.106 3.960 -0.000 0.000 0.238 104 G C 0.163 174.999 174.900 -0.107 0.000 1.184 104 G CA -0.199 44.823 45.100 -0.131 0.000 0.806 104 G HN 0.172 nan 8.290 nan 0.000 0.536 105 E N -0.444 119.731 120.200 -0.042 0.000 2.408 105 E HA 0.256 4.606 4.350 -0.000 0.000 0.259 105 E C 1.350 177.952 176.600 0.004 0.000 1.110 105 E CA 0.081 56.475 56.400 -0.009 0.000 0.929 105 E CB 0.537 30.242 29.700 0.010 0.000 0.971 105 E HN -0.021 nan 8.360 nan 0.000 0.438 106 T N 1.404 115.972 114.554 0.023 0.000 2.867 106 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 106 T C 1.210 175.920 174.700 0.017 0.000 1.057 106 T CA 0.851 62.965 62.100 0.024 0.000 1.136 106 T CB 0.029 68.919 68.868 0.037 0.000 0.874 106 T HN 0.243 nan 8.240 nan 0.000 0.466 107 K N 1.063 121.475 120.400 0.020 0.000 2.288 107 K HA 0.129 4.448 4.320 -0.000 0.000 0.201 107 K C 1.467 178.078 176.600 0.018 0.000 1.048 107 K CA 0.180 56.478 56.287 0.018 0.000 0.956 107 K CB -0.451 32.062 32.500 0.021 0.000 0.746 107 K HN 0.407 nan 8.250 nan 0.000 0.461 108 G N 0.846 109.659 108.800 0.022 0.000 2.525 108 G HA2 0.091 4.051 3.960 -0.000 0.000 0.287 108 G HA3 0.091 4.051 3.960 -0.000 0.000 0.287 108 G C 0.180 175.088 174.900 0.014 0.000 1.350 108 G CA -0.447 44.670 45.100 0.029 0.000 1.039 108 G HN 0.123 nan 8.290 nan 0.000 0.513 109 N N -0.520 118.186 118.700 0.010 0.000 2.451 109 N HA 0.206 4.946 4.740 -0.000 0.000 0.271 109 N C -0.458 175.039 175.510 -0.021 0.000 1.410 109 N CA -0.124 52.921 53.050 -0.009 0.000 0.884 109 N CB 1.173 39.650 38.487 -0.017 0.000 1.332 109 N HN 0.241 nan 8.380 nan 0.000 0.498 110 S N 0.056 115.750 115.700 -0.009 0.000 2.704 110 S HA 0.765 5.235 4.470 -0.000 0.000 0.305 110 S C -0.031 174.553 174.600 -0.026 0.000 1.107 110 S CA -0.669 57.516 58.200 -0.025 0.000 0.993 110 S CB 2.358 65.556 63.200 -0.002 0.000 1.110 110 S HN 0.218 nan 8.310 nan 0.000 0.534 111 A N 2.536 125.331 122.820 -0.041 0.000 3.159 111 A HA 0.532 4.852 4.320 -0.000 0.000 0.330 111 A C -2.924 174.619 177.584 -0.068 0.000 1.032 111 A CA -1.466 50.548 52.037 -0.038 0.000 0.841 111 A CB 0.014 19.004 19.000 -0.017 0.000 1.093 111 A HN 0.449 nan 8.150 nan 0.000 0.478 112 P HA 0.195 nan 4.420 nan 0.000 0.271 112 P C -0.136 177.070 177.300 -0.157 0.000 1.216 112 P CA 0.228 63.193 63.100 -0.225 0.000 0.771 112 P CB 0.843 32.238 31.700 -0.508 0.000 0.864 113 L N 3.686 124.842 121.223 -0.112 0.000 2.416 113 L HA 0.210 4.550 4.340 -0.000 0.000 0.272 113 L C 1.073 178.005 176.870 0.103 0.000 1.161 113 L CA -0.526 54.309 54.840 -0.008 0.000 0.845 113 L CB -0.012 42.008 42.059 -0.066 0.000 1.119 113 L HN 0.269 nan 8.230 nan 0.000 0.464 114 I N 4.703 125.396 120.570 0.206 0.000 2.505 114 I HA 0.086 4.256 4.170 -0.000 0.000 0.287 114 I C 0.114 176.375 176.117 0.239 0.000 1.104 114 I CA 0.230 61.709 61.300 0.298 0.000 1.387 114 I CB 0.273 38.469 38.000 0.327 0.000 1.404 114 I HN 0.440 nan 8.210 nan 0.000 0.528 115 I N 4.844 125.545 120.570 0.218 0.000 3.145 115 I HA 0.763 4.933 4.170 -0.000 0.000 0.313 115 I C -0.446 175.729 176.117 0.096 0.000 1.122 115 I CA -0.751 60.616 61.300 0.111 0.000 0.987 115 I CB 2.013 40.027 38.000 0.022 0.000 1.236 115 I HN 0.426 nan 8.210 nan 0.000 0.453 116 R N 0.258 120.788 120.500 0.050 0.000 2.762 116 R HA 0.387 4.727 4.340 -0.000 0.000 0.271 116 R C -1.163 175.168 176.300 0.052 0.000 1.038 116 R CA -0.981 55.133 56.100 0.023 0.000 0.906 116 R CB 1.549 31.866 30.300 0.027 0.000 1.259 116 R HN 0.796 nan 8.270 nan 0.000 0.457 117 E N 0.363 120.591 120.200 0.047 0.000 2.210 117 E HA -0.160 4.190 4.350 -0.000 0.000 0.201 117 E C -2.465 174.282 176.600 0.245 0.000 1.339 117 E CA 0.462 56.970 56.400 0.179 0.000 0.699 117 E CB -1.073 28.755 29.700 0.214 0.000 1.126 117 E HN 0.236 nan 8.360 nan 0.000 0.355 118 P HA 0.375 nan 4.420 nan 0.000 0.274 118 P C -0.243 177.035 177.300 -0.037 0.000 1.246 118 P CA -0.188 62.996 63.100 0.140 0.000 0.795 118 P CB 0.544 32.415 31.700 0.285 0.000 1.006 119 F N -1.559 118.157 119.950 -0.390 0.000 2.807 119 F HA 0.681 5.208 4.527 -0.000 0.000 0.316 119 F C -1.899 173.694 175.800 -0.345 0.000 1.162 119 F CA -1.246 56.074 58.000 -1.134 0.000 0.910 119 F CB 0.687 39.196 39.000 -0.818 0.000 1.314 119 F HN 0.045 nan 8.300 nan 0.000 0.454 120 I N 1.795 122.248 120.570 -0.196 0.000 2.608 120 I HA 0.824 4.994 4.170 -0.000 0.000 0.295 120 I C -0.768 175.451 176.117 0.170 0.000 1.049 120 I CA -1.097 60.117 61.300 -0.143 0.000 1.063 120 I CB 2.066 39.604 38.000 -0.770 0.000 1.248 120 I HN 1.007 nan 8.210 nan 0.000 0.424 121 A N 4.440 127.490 122.820 0.383 0.000 2.449 121 A HA 0.823 5.143 4.320 -0.000 0.000 0.302 121 A C -1.400 176.551 177.584 0.612 0.000 1.048 121 A CA -0.428 51.948 52.037 0.564 0.000 0.708 121 A CB 1.550 20.982 19.000 0.721 0.000 1.274 121 A HN 0.745 nan 8.150 nan 0.000 0.410 122 c N 1.053 119.938 118.600 0.476 0.000 2.507 122 c HA 0.879 5.449 4.570 -0.000 0.000 0.319 122 c C 1.073 175.226 174.090 0.105 0.000 1.208 122 c CA -0.141 56.398 56.329 0.350 0.000 1.619 122 c CB 1.199 43.888 42.510 0.299 0.000 2.230 122 c HN 1.184 nan 8.230 nan 0.000 0.492 123 G N 2.034 110.776 108.800 -0.096 0.000 2.642 123 G HA2 0.577 4.536 3.960 -0.000 0.000 0.291 123 G HA3 0.577 4.536 3.960 -0.000 0.000 0.291 123 G C -1.499 173.248 174.900 -0.254 0.000 1.345 123 G CA -0.680 44.109 45.100 -0.520 0.000 1.043 123 G HN 0.461 nan 8.290 nan 0.000 0.528 124 P HA -0.073 nan 4.420 nan 0.000 0.222 124 P C 0.780 178.037 177.300 -0.072 0.000 1.147 124 P CA 1.458 64.489 63.100 -0.114 0.000 0.790 124 P CB 0.206 31.851 31.700 -0.091 0.000 0.780 125 K N -2.182 118.167 120.400 -0.085 0.000 2.491 125 K HA 0.299 4.618 4.320 -0.000 0.000 0.211 125 K C 0.626 177.239 176.600 0.021 0.000 1.210 125 K CA -0.339 55.935 56.287 -0.022 0.000 1.003 125 K CB 0.965 33.456 32.500 -0.016 0.000 1.009 125 K HN -0.079 nan 8.250 nan 0.000 0.577 126 E N 0.382 120.613 120.200 0.052 0.000 2.372 126 E HA 0.361 4.711 4.350 -0.000 0.000 0.279 126 E C -1.575 175.142 176.600 0.194 0.000 0.946 126 E CA -1.011 55.457 56.400 0.115 0.000 0.769 126 E CB 2.306 32.097 29.700 0.153 0.000 1.230 126 E HN 0.241 nan 8.360 nan 0.000 0.442 127 c N 2.644 121.340 118.600 0.160 0.000 2.382 127 c HA 0.535 5.105 4.570 -0.000 0.000 0.327 127 c C -0.384 173.742 174.090 0.060 0.000 1.250 127 c CA -0.734 55.711 56.329 0.192 0.000 1.707 127 c CB 0.702 43.307 42.510 0.159 0.000 2.272 127 c HN 0.539 nan 8.230 nan 0.000 0.506 128 K N 1.345 121.748 120.400 0.006 0.000 2.182 128 K HA 0.321 4.641 4.320 -0.000 0.000 0.262 128 K C -0.468 175.878 176.600 -0.422 0.000 0.957 128 K CA -0.325 55.724 56.287 -0.397 0.000 0.842 128 K CB 1.176 33.123 32.500 -0.921 0.000 1.099 128 K HN 0.819 nan 8.250 nan 0.000 0.438 129 H N 3.792 122.528 119.070 -0.557 0.000 2.652 129 H HA 0.197 4.753 4.556 -0.000 0.000 0.298 129 H C -1.004 173.906 175.328 -0.696 0.000 1.076 129 H CA -0.638 55.127 56.048 -0.473 0.000 1.360 129 H CB 0.323 29.920 29.762 -0.276 0.000 1.421 129 H HN 0.340 nan 8.280 nan 0.000 0.464 130 F N 2.906 122.534 119.950 -0.537 0.000 2.440 130 F HA 0.651 5.178 4.527 -0.000 0.000 0.328 130 F C 0.242 175.646 175.800 -0.659 0.000 1.070 130 F CA -0.188 57.345 58.000 -0.779 0.000 1.011 130 F CB 1.907 40.044 39.000 -1.438 0.000 1.226 130 F HN 0.644 nan 8.300 nan 0.000 0.491 131 A N 1.193 123.874 122.820 -0.232 0.000 2.566 131 A HA 0.720 5.040 4.320 -0.000 0.000 0.290 131 A C -2.095 175.463 177.584 -0.044 0.000 1.071 131 A CA -0.807 51.158 52.037 -0.120 0.000 0.658 131 A CB 1.035 19.916 19.000 -0.199 0.000 1.285 131 A HN 0.655 nan 8.150 nan 0.000 0.427 132 L N 1.302 122.529 121.223 0.006 0.000 2.287 132 L HA 0.584 4.924 4.340 -0.000 0.000 0.287 132 L C 0.384 177.220 176.870 -0.057 0.000 1.022 132 L CA -0.418 54.422 54.840 -0.000 0.000 0.814 132 L CB 1.705 43.795 42.059 0.053 0.000 1.217 132 L HN 0.770 nan 8.230 nan 0.000 0.420 133 T N 0.428 114.938 114.554 -0.074 0.000 2.907 133 T HA 0.248 4.598 4.350 -0.000 0.000 0.284 133 T C 0.813 175.518 174.700 0.008 0.000 1.004 133 T CA -0.396 61.678 62.100 -0.044 0.000 1.063 133 T CB 0.604 69.399 68.868 -0.123 0.000 0.992 133 T HN 0.513 nan 8.240 nan 0.000 0.483 134 H N 3.436 122.621 119.070 0.192 0.000 2.547 134 H HA 0.048 4.604 4.556 -0.000 0.000 0.274 134 H C -0.146 175.374 175.328 0.320 0.000 1.024 134 H CA 0.197 56.395 56.048 0.250 0.000 1.155 134 H CB -0.224 29.675 29.762 0.228 0.000 1.344 134 H HN 0.794 nan 8.280 nan 0.000 0.598 135 Y N -0.421 120.024 120.300 0.242 0.000 3.689 135 Y HA -0.225 4.324 4.550 -0.000 0.000 0.221 135 Y C -0.098 175.891 175.900 0.149 0.000 1.247 135 Y CA 0.235 58.455 58.100 0.201 0.000 1.671 135 Y CB -1.433 37.098 38.460 0.118 0.000 1.521 135 Y HN 0.398 nan 8.280 nan 0.000 0.632 136 A N -0.291 122.732 122.820 0.339 0.000 2.587 136 A HA 1.005 5.325 4.320 -0.000 0.000 0.293 136 A C -0.830 176.917 177.584 0.271 0.000 1.087 136 A CA -0.199 52.037 52.037 0.330 0.000 0.692 136 A CB 1.318 20.557 19.000 0.398 0.000 1.291 136 A HN 1.176 nan 8.150 nan 0.000 0.407 137 A N 0.220 123.191 122.820 0.253 0.000 2.384 137 A HA 0.799 5.119 4.320 -0.000 0.000 0.312 137 A C -0.610 177.084 177.584 0.183 0.000 1.113 137 A CA -0.562 51.573 52.037 0.164 0.000 0.779 137 A CB 1.456 20.519 19.000 0.104 0.000 1.307 137 A HN 0.858 nan 8.150 nan 0.000 0.436 138 Q N 1.352 121.180 119.800 0.047 0.000 2.322 138 Q HA 0.465 4.805 4.340 -0.000 0.000 0.265 138 Q C -2.655 173.302 176.000 -0.072 0.000 0.985 138 Q CA -2.203 53.563 55.803 -0.062 0.000 0.849 138 Q CB 2.096 30.537 28.738 -0.494 0.000 1.274 138 Q HN 0.522 nan 8.270 nan 0.000 0.449 139 P HA 0.324 nan 4.420 nan 0.000 0.275 139 P C -0.623 176.725 177.300 0.080 0.000 1.228 139 P CA 0.114 63.265 63.100 0.085 0.000 0.786 139 P CB 1.417 33.142 31.700 0.042 0.000 0.927 140 G N -0.084 108.732 108.800 0.027 0.000 2.663 140 G HA2 0.515 4.474 3.960 -0.000 0.000 0.299 140 G HA3 0.515 4.474 3.960 -0.000 0.000 0.299 140 G C -0.170 174.403 174.900 -0.545 0.000 1.372 140 G CA -0.314 44.706 45.100 -0.133 0.000 0.781 140 G HN 0.445 nan 8.290 nan 0.000 0.491 141 G N -1.556 106.941 108.800 -0.505 0.000 3.453 141 G HA2 0.361 4.321 3.960 -0.000 0.000 0.263 141 G HA3 0.361 4.321 3.960 -0.000 0.000 0.263 141 G C -0.309 174.159 174.900 -0.720 0.000 1.060 141 G CA 0.117 44.807 45.100 -0.682 0.000 0.793 141 G HN 0.324 nan 8.290 nan 0.000 0.532 142 Y N 0.187 120.403 120.300 -0.141 0.000 2.669 142 Y HA 0.359 4.909 4.550 -0.000 0.000 0.302 142 Y C 0.917 176.925 175.900 0.180 0.000 1.000 142 Y CA -1.475 56.643 58.100 0.030 0.000 1.222 142 Y CB 0.127 38.638 38.460 0.085 0.000 1.209 142 Y HN 0.120 nan 8.280 nan 0.000 0.571 143 Y N -0.775 119.619 120.300 0.157 0.000 2.395 143 Y HA -0.070 4.480 4.550 -0.000 0.000 0.293 143 Y C 1.184 177.139 175.900 0.091 0.000 1.123 143 Y CA -0.237 57.958 58.100 0.157 0.000 1.227 143 Y CB -0.435 38.134 38.460 0.181 0.000 1.012 143 Y HN 0.200 nan 8.280 nan 0.000 0.552 144 N N 0.467 119.300 118.700 0.221 0.000 2.452 144 N HA 0.271 5.011 4.740 -0.000 0.000 0.266 144 N C 1.004 176.560 175.510 0.076 0.000 1.209 144 N CA 1.332 54.454 53.050 0.120 0.000 0.929 144 N CB 0.443 38.984 38.487 0.090 0.000 1.063 144 N HN 0.485 nan 8.380 nan 0.000 0.472 145 G N 1.816 110.621 108.800 0.008 0.000 2.176 145 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.232 145 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.232 145 G C 0.824 175.581 174.900 -0.238 0.000 0.986 145 G CA 0.597 45.666 45.100 -0.052 0.000 0.643 145 G HN 0.755 nan 8.290 nan 0.000 0.522 146 T N -2.099 112.298 114.554 -0.262 0.000 3.088 146 T HA 0.237 4.587 4.350 -0.000 0.000 0.259 146 T C 1.969 176.510 174.700 -0.266 0.000 1.122 146 T CA 1.068 62.837 62.100 -0.551 0.000 1.095 146 T CB -0.001 68.790 68.868 -0.128 0.000 0.930 146 T HN 0.380 nan 8.240 nan 0.000 0.508 147 R N 1.073 121.435 120.500 -0.230 0.000 2.119 147 R HA 0.188 4.527 4.340 -0.000 0.000 0.222 147 R C 1.577 177.793 176.300 -0.139 0.000 1.088 147 R CA 0.526 56.408 56.100 -0.362 0.000 0.984 147 R CB -0.425 29.640 30.300 -0.391 0.000 0.884 147 R HN 0.509 nan 8.270 nan 0.000 0.447 148 G N 0.217 108.985 108.800 -0.054 0.000 2.606 148 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.252 148 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.252 148 G C -0.137 174.881 174.900 0.198 0.000 1.206 148 G CA -0.401 44.724 45.100 0.041 0.000 0.861 148 G HN 0.047 nan 8.290 nan 0.000 0.561 149 D N -0.271 120.205 120.400 0.127 0.000 2.323 149 D HA 0.034 4.674 4.640 -0.000 0.000 0.218 149 D C 0.956 177.308 176.300 0.087 0.000 0.973 149 D CA 0.549 54.637 54.000 0.146 0.000 0.890 149 D CB 0.405 41.261 40.800 0.092 0.000 1.011 149 D HN 0.288 nan 8.370 nan 0.000 0.499 150 R N 1.460 121.898 120.500 -0.103 0.000 2.229 150 R HA 0.401 4.741 4.340 -0.000 0.000 0.328 150 R C -0.397 175.861 176.300 -0.070 0.000 1.009 150 R CA -0.324 55.567 56.100 -0.349 0.000 0.864 150 R CB 0.891 30.667 30.300 -0.873 0.000 1.085 150 R HN 0.162 nan 8.270 nan 0.000 0.453 151 N N -0.135 118.639 118.700 0.123 0.000 3.106 151 N HA 0.126 4.866 4.740 -0.000 0.000 0.253 151 N C -0.553 175.118 175.510 0.269 0.000 1.506 151 N CA -1.056 52.097 53.050 0.173 0.000 0.876 151 N CB 0.918 39.519 38.487 0.189 0.000 1.452 151 N HN 0.131 nan 8.380 nan 0.000 0.542 152 K N -0.446 120.071 120.400 0.196 0.000 2.487 152 K HA 0.286 4.605 4.320 -0.000 0.000 0.192 152 K C 0.536 177.251 176.600 0.192 0.000 1.027 152 K CA 0.551 56.944 56.287 0.176 0.000 1.054 152 K CB -0.221 32.345 32.500 0.110 0.000 0.824 152 K HN 0.430 nan 8.250 nan 0.000 0.510 153 L N -0.357 121.009 121.223 0.239 0.000 2.575 153 L HA 0.145 4.485 4.340 -0.000 0.000 0.228 153 L C 0.664 177.857 176.870 0.539 0.000 1.075 153 L CA -0.369 54.653 54.840 0.304 0.000 0.867 153 L CB 0.314 42.490 42.059 0.195 0.000 1.097 153 L HN -0.067 nan 8.230 nan 0.000 0.485 154 R N 0.582 121.314 120.500 0.388 0.000 2.504 154 R HA 0.046 4.386 4.340 -0.000 0.000 0.291 154 R C -1.067 175.400 176.300 0.277 0.000 0.974 154 R CA 0.718 56.998 56.100 0.301 0.000 1.077 154 R CB -0.122 30.319 30.300 0.234 0.000 0.926 154 R HN 0.060 nan 8.270 nan 0.000 0.407 155 H N 1.940 121.088 119.070 0.130 0.000 2.806 155 H HA 0.337 4.893 4.556 -0.000 0.000 0.367 155 H C -1.218 174.096 175.328 -0.023 0.000 1.136 155 H CA -0.850 55.256 56.048 0.097 0.000 1.178 155 H CB 1.406 31.284 29.762 0.192 0.000 1.718 155 H HN 0.392 nan 8.280 nan 0.000 0.540 156 L N 4.113 125.384 121.223 0.080 0.000 2.319 156 L HA 0.390 4.730 4.340 -0.000 0.000 0.280 156 L C -0.835 176.039 176.870 0.007 0.000 1.099 156 L CA -0.229 54.648 54.840 0.063 0.000 0.828 156 L CB -0.366 41.755 42.059 0.103 0.000 1.150 156 L HN 0.599 nan 8.230 nan 0.000 0.442 157 I N 2.234 122.739 120.570 -0.107 0.000 2.892 157 I HA 0.942 5.111 4.170 -0.000 0.000 0.306 157 I C -0.501 175.491 176.117 -0.209 0.000 1.078 157 I CA -0.422 60.691 61.300 -0.312 0.000 1.032 157 I CB 2.228 39.796 38.000 -0.719 0.000 1.229 157 I HN 0.628 nan 8.210 nan 0.000 0.435 158 S N 2.988 118.480 115.700 -0.347 0.000 2.556 158 S HA 0.920 5.389 4.470 -0.000 0.000 0.271 158 S C -0.734 173.581 174.600 -0.476 0.000 1.135 158 S CA -0.354 57.512 58.200 -0.557 0.000 0.858 158 S CB 1.434 64.085 63.200 -0.915 0.000 1.114 158 S HN 1.645 nan 8.310 nan 0.000 0.468 159 V N -0.680 118.952 119.914 -0.469 0.000 2.914 159 V HA 0.670 4.790 4.120 -0.000 0.000 0.314 159 V C -0.047 175.868 176.094 -0.300 0.000 1.084 159 V CA -1.320 60.789 62.300 -0.317 0.000 0.963 159 V CB 1.459 33.151 31.823 -0.218 0.000 1.025 159 V HN 1.217 nan 8.190 nan 0.000 0.432 160 K N 2.153 122.427 120.400 -0.210 0.000 2.491 160 K HA 0.087 4.407 4.320 -0.000 0.000 0.279 160 K C -0.212 176.333 176.600 -0.093 0.000 1.026 160 K CA -0.405 55.797 56.287 -0.143 0.000 1.070 160 K CB 0.391 32.839 32.500 -0.087 0.000 0.887 160 K HN 0.763 nan 8.250 nan 0.000 0.481 161 L N 5.117 126.298 121.223 -0.070 0.000 2.601 161 L HA 0.016 4.355 4.340 -0.000 0.000 0.277 161 L C 1.135 177.995 176.870 -0.016 0.000 1.219 161 L CA 2.325 57.144 54.840 -0.034 0.000 0.915 161 L CB 0.216 42.254 42.059 -0.035 0.000 1.160 161 L HN 1.015 nan 8.230 nan 0.000 0.494 162 G N 2.743 111.541 108.800 -0.004 0.000 2.278 162 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.210 162 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.210 162 G C 0.245 175.147 174.900 0.004 0.000 1.000 162 G CA -0.178 44.924 45.100 0.003 0.000 0.635 162 G HN 0.541 nan 8.290 nan 0.000 0.495 163 K N 1.051 121.445 120.400 -0.009 0.000 2.144 163 K HA 0.552 4.872 4.320 -0.000 0.000 0.270 163 K C 0.378 176.973 176.600 -0.009 0.000 1.005 163 K CA -0.704 55.566 56.287 -0.028 0.000 0.932 163 K CB 1.374 33.836 32.500 -0.063 0.000 1.021 163 K HN 0.167 nan 8.250 nan 0.000 0.462 164 I N 4.657 125.213 120.570 -0.023 0.000 2.396 164 I HA 0.088 4.258 4.170 -0.000 0.000 0.289 164 I C -1.880 174.199 176.117 -0.064 0.000 1.056 164 I CA -2.901 58.397 61.300 -0.004 0.000 1.365 164 I CB 0.425 38.429 38.000 0.007 0.000 1.407 164 I HN 0.156 nan 8.210 nan 0.000 0.509 165 P HA 0.084 nan 4.420 nan 0.000 0.256 165 P C -0.078 177.135 177.300 -0.146 0.000 1.688 165 P CA -0.057 62.945 63.100 -0.164 0.000 1.162 165 P CB -0.480 31.077 31.700 -0.238 0.000 1.870 166 T N -1.924 112.558 114.554 -0.120 0.000 2.923 166 T HA 0.257 4.607 4.350 -0.000 0.000 0.281 166 T C 1.493 176.155 174.700 -0.064 0.000 0.995 166 T CA -0.773 61.270 62.100 -0.093 0.000 0.985 166 T CB 0.554 69.371 68.868 -0.085 0.000 1.114 166 T HN -0.082 nan 8.240 nan 0.000 0.548 167 V N 1.122 121.024 119.914 -0.021 0.000 2.250 167 V HA -0.242 3.878 4.120 -0.000 0.000 0.253 167 V C 2.699 178.810 176.094 0.028 0.000 1.065 167 V CA 2.387 64.708 62.300 0.035 0.000 1.039 167 V CB -0.935 30.905 31.823 0.028 0.000 0.647 167 V HN 0.949 nan 8.190 nan 0.000 0.446 168 E N -0.696 119.493 120.200 -0.018 0.000 2.140 168 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 168 E C 2.081 178.652 176.600 -0.049 0.000 0.973 168 E CA 0.696 57.077 56.400 -0.031 0.000 0.829 168 E CB -0.170 29.504 29.700 -0.043 0.000 0.781 168 E HN 0.533 nan 8.360 nan 0.000 0.466 169 N N 0.722 119.379 118.700 -0.070 0.000 2.244 169 N HA -0.039 4.700 4.740 -0.000 0.000 0.183 169 N C 0.397 175.834 175.510 -0.121 0.000 1.016 169 N CA 0.510 53.503 53.050 -0.094 0.000 0.866 169 N CB 0.017 38.442 38.487 -0.104 0.000 0.980 169 N HN -0.086 nan 8.380 nan 0.000 0.430 170 S N 0.213 115.835 115.700 -0.129 0.000 2.603 170 S HA 0.316 4.786 4.470 -0.000 0.000 0.268 170 S C 0.262 174.761 174.600 -0.168 0.000 1.317 170 S CA -0.495 57.575 58.200 -0.216 0.000 1.012 170 S CB 1.447 64.453 63.200 -0.324 0.000 0.926 170 S HN 0.154 nan 8.310 nan 0.000 0.539 171 I N 1.310 121.699 120.570 -0.302 0.000 2.474 171 I HA 0.469 4.639 4.170 -0.000 0.000 0.294 171 I C -1.575 174.261 176.117 -0.468 0.000 1.005 171 I CA -0.984 60.141 61.300 -0.292 0.000 1.113 171 I CB 0.914 38.676 38.000 -0.396 0.000 1.289 171 I HN 0.486 nan 8.210 nan 0.000 0.436 172 F N 6.532 126.242 119.950 -0.399 0.000 2.391 172 F HA 0.347 4.874 4.527 -0.000 0.000 0.359 172 F C 1.237 176.893 175.800 -0.240 0.000 1.122 172 F CA -0.304 57.532 58.000 -0.273 0.000 1.120 172 F CB 0.693 39.567 39.000 -0.210 0.000 1.142 172 F HN 0.546 nan 8.300 nan 0.000 0.483 173 H N 3.604 122.683 119.070 0.016 0.000 2.344 173 H HA 0.224 4.780 4.556 -0.000 0.000 0.307 173 H C 0.469 175.867 175.328 0.116 0.000 1.057 173 H CA 1.170 57.164 56.048 -0.089 0.000 1.373 173 H CB 0.630 30.192 29.762 -0.332 0.000 1.421 173 H HN 0.564 nan 8.280 nan 0.000 0.532 174 M N -1.179 118.598 119.600 0.296 0.000 2.694 174 M HA 0.550 5.030 4.480 -0.000 0.000 0.276 174 M C -1.692 174.569 176.300 -0.065 0.000 1.167 174 M CA -0.879 54.562 55.300 0.235 0.000 0.849 174 M CB 2.135 34.917 32.600 0.304 0.000 1.705 174 M HN -0.057 nan 8.290 nan 0.000 0.504 175 A N 1.992 124.591 122.820 -0.368 0.000 2.524 175 A HA 0.689 5.009 4.320 -0.000 0.000 0.250 175 A C 0.015 177.389 177.584 -0.350 0.000 1.078 175 A CA 0.533 52.138 52.037 -0.720 0.000 0.761 175 A CB -0.688 18.044 19.000 -0.446 0.000 1.012 175 A HN 1.845 nan 8.150 nan 0.000 0.500 176 A N 2.914 125.564 122.820 -0.283 0.000 2.565 176 A HA 0.568 4.888 4.320 -0.000 0.000 0.298 176 A C -0.200 177.324 177.584 -0.099 0.000 1.062 176 A CA -0.300 51.575 52.037 -0.271 0.000 0.723 176 A CB 0.459 19.356 19.000 -0.171 0.000 1.282 176 A HN 1.515 nan 8.150 nan 0.000 0.400 177 W N 1.303 122.607 121.300 0.007 0.000 2.991 177 W HA 0.561 5.221 4.660 -0.000 0.000 0.391 177 W C -0.036 176.506 176.519 0.037 0.000 1.054 177 W CA 0.214 57.570 57.345 0.018 0.000 1.856 177 W CB 0.220 29.698 29.460 0.029 0.000 1.132 177 W HN 0.807 nan 8.180 nan 0.000 0.601 178 S N 0.428 116.201 115.700 0.121 0.000 2.543 178 S HA 0.694 5.164 4.470 -0.000 0.000 0.273 178 S C -0.611 173.991 174.600 0.003 0.000 1.152 178 S CA -0.112 58.175 58.200 0.145 0.000 0.910 178 S CB 1.381 64.717 63.200 0.227 0.000 1.105 178 S HN 0.287 nan 8.310 nan 0.000 0.465 179 G N 1.144 109.968 108.800 0.039 0.000 2.680 179 G HA2 0.806 4.766 3.960 -0.000 0.000 0.290 179 G HA3 0.806 4.766 3.960 -0.000 0.000 0.290 179 G C -1.118 173.708 174.900 -0.124 0.000 1.355 179 G CA -0.434 44.679 45.100 0.022 0.000 0.903 179 G HN 0.984 nan 8.290 nan 0.000 0.474 180 S N -1.731 113.904 115.700 -0.108 0.000 2.615 180 S HA 0.898 5.367 4.470 -0.000 0.000 0.268 180 S C -1.243 173.301 174.600 -0.092 0.000 1.146 180 S CA 0.415 58.427 58.200 -0.313 0.000 0.818 180 S CB 1.360 64.380 63.200 -0.299 0.000 1.111 180 S HN 2.414 nan 8.310 nan 0.000 0.465 181 A N 0.370 123.135 122.820 -0.092 0.000 2.583 181 A HA 0.783 5.103 4.320 -0.000 0.000 0.292 181 A C -1.012 176.625 177.584 0.088 0.000 1.045 181 A CA -0.133 51.843 52.037 -0.102 0.000 0.672 181 A CB 0.326 18.968 19.000 -0.597 0.000 1.283 181 A HN 2.284 nan 8.150 nan 0.000 0.419 182 c N -0.564 118.132 118.600 0.160 0.000 3.302 182 c HA 0.801 5.371 4.570 -0.000 0.000 0.347 182 c C -0.829 173.251 174.090 -0.017 0.000 1.218 182 c CA -0.774 55.655 56.329 0.167 0.000 1.234 182 c CB 0.416 42.982 42.510 0.094 0.000 1.551 182 c HN 1.371 nan 8.230 nan 0.000 0.501 183 H N 0.584 119.433 119.070 -0.367 0.000 2.472 183 H HA 0.593 5.148 4.556 -0.000 0.000 0.338 183 H C 0.431 175.595 175.328 -0.274 0.000 1.133 183 H CA 0.319 55.974 56.048 -0.655 0.000 1.216 183 H CB 1.515 30.587 29.762 -1.149 0.000 1.497 183 H HN 0.845 nan 8.280 nan 0.000 0.500 184 D N 1.898 122.094 120.400 -0.339 0.000 2.398 184 D HA 0.180 4.820 4.640 -0.000 0.000 0.210 184 D C 1.444 177.815 176.300 0.117 0.000 1.094 184 D CA 0.511 54.488 54.000 -0.038 0.000 0.839 184 D CB 0.632 41.461 40.800 0.048 0.000 0.963 184 D HN 0.814 nan 8.370 nan 0.000 0.506 185 G N 0.480 109.355 108.800 0.124 0.000 2.284 185 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.216 185 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.216 185 G C 1.157 176.100 174.900 0.070 0.000 1.009 185 G CA 0.232 45.429 45.100 0.162 0.000 0.625 185 G HN 0.378 nan 8.290 nan 0.000 0.501 186 K N -0.316 120.030 120.400 -0.090 0.000 2.367 186 K HA 0.436 4.756 4.320 -0.000 0.000 0.198 186 K C 0.508 176.940 176.600 -0.280 0.000 1.132 186 K CA 0.865 57.065 56.287 -0.145 0.000 0.941 186 K CB 0.854 33.234 32.500 -0.201 0.000 1.052 186 K HN 0.274 nan 8.250 nan 0.000 0.507 187 E N -0.815 118.955 120.200 -0.716 0.000 2.407 187 E HA 0.190 4.540 4.350 -0.000 0.000 0.279 187 E C -1.979 173.997 176.600 -1.040 0.000 1.012 187 E CA -0.684 55.248 56.400 -0.779 0.000 0.800 187 E CB 0.596 29.839 29.700 -0.762 0.000 1.276 187 E HN -0.002 nan 8.360 nan 0.000 0.452 188 W N 1.649 122.573 121.300 -0.626 0.000 2.287 188 W HA 0.419 5.079 4.660 -0.000 0.000 0.313 188 W C -0.015 176.069 176.519 -0.725 0.000 1.267 188 W CA -0.158 56.828 57.345 -0.598 0.000 1.201 188 W CB 1.599 30.715 29.460 -0.574 0.000 1.196 188 W HN 0.193 nan 8.180 nan 0.000 0.536 189 T N 4.114 118.514 114.554 -0.257 0.000 2.749 189 T HA 0.312 4.662 4.350 -0.000 0.000 0.287 189 T C -1.083 173.431 174.700 -0.310 0.000 0.970 189 T CA -0.371 61.648 62.100 -0.135 0.000 0.980 189 T CB 0.158 69.043 68.868 0.027 0.000 0.924 189 T HN 0.034 nan 8.240 nan 0.000 0.456 190 Y N 2.355 122.679 120.300 0.040 0.000 2.377 190 Y HA 0.646 5.195 4.550 -0.000 0.000 0.339 190 Y C 0.106 175.979 175.900 -0.045 0.000 1.011 190 Y CA -1.379 56.674 58.100 -0.079 0.000 1.093 190 Y CB 0.978 39.342 38.460 -0.160 0.000 1.201 190 Y HN 0.479 nan 8.280 nan 0.000 0.455 191 I N 2.323 122.938 120.570 0.074 0.000 2.436 191 I HA 0.686 4.856 4.170 -0.000 0.000 0.289 191 I C 0.014 176.131 176.117 -0.001 0.000 1.010 191 I CA -0.393 60.918 61.300 0.019 0.000 1.098 191 I CB 2.054 40.032 38.000 -0.037 0.000 1.266 191 I HN 0.793 nan 8.210 nan 0.000 0.434 192 G N 5.412 114.199 108.800 -0.022 0.000 2.707 192 G HA2 0.622 4.582 3.960 -0.000 0.000 0.299 192 G HA3 0.622 4.582 3.960 -0.000 0.000 0.299 192 G C -1.431 173.344 174.900 -0.207 0.000 1.442 192 G CA -0.414 44.631 45.100 -0.091 0.000 1.009 192 G HN 0.292 nan 8.290 nan 0.000 0.515 193 V N 3.541 123.236 119.914 -0.366 0.000 2.370 193 V HA 0.565 4.685 4.120 -0.000 0.000 0.283 193 V C -0.510 174.846 176.094 -1.230 0.000 1.023 193 V CA -0.615 61.310 62.300 -0.625 0.000 0.857 193 V CB 1.129 32.594 31.823 -0.597 0.000 0.985 193 V HN 0.954 nan 8.190 nan 0.000 0.443 194 D N 3.055 122.882 120.400 -0.955 0.000 2.781 194 D HA 0.816 5.456 4.640 -0.000 0.000 0.295 194 D C 0.060 176.231 176.300 -0.216 0.000 1.143 194 D CA -0.026 53.394 54.000 -0.966 0.000 1.076 194 D CB 1.851 42.371 40.800 -0.466 0.000 1.444 194 D HN 1.111 nan 8.370 nan 0.000 0.567 195 G N -0.767 108.164 108.800 0.217 0.000 2.541 195 G HA2 0.119 4.078 3.960 -0.000 0.000 0.686 195 G HA3 0.119 4.078 3.960 -0.000 0.000 0.686 195 G C -2.951 172.189 174.900 0.399 0.000 1.286 195 G CA -0.518 44.738 45.100 0.260 0.000 0.894 195 G HN 0.658 nan 8.290 nan 0.000 0.575 196 P HA 0.259 nan 4.420 nan 0.000 0.272 196 P C 0.854 178.239 177.300 0.143 0.000 1.230 196 P CA -0.028 63.161 63.100 0.149 0.000 0.788 196 P CB 0.876 32.633 31.700 0.094 0.000 0.949 197 E N 1.231 121.456 120.200 0.041 0.000 2.070 197 E HA -0.253 4.097 4.350 -0.000 0.000 0.197 197 E C 1.458 178.082 176.600 0.039 0.000 1.004 197 E CA 2.116 58.513 56.400 -0.004 0.000 0.805 197 E CB -0.389 29.282 29.700 -0.048 0.000 0.744 197 E HN 0.670 nan 8.360 nan 0.000 0.451 198 N N -0.477 118.246 118.700 0.038 0.000 2.461 198 N HA -0.081 4.659 4.740 -0.000 0.000 0.188 198 N C 0.597 176.136 175.510 0.049 0.000 1.134 198 N CA 0.350 53.419 53.050 0.032 0.000 0.878 198 N CB 0.335 38.834 38.487 0.021 0.000 0.972 198 N HN -0.089 nan 8.380 nan 0.000 0.456 199 N N 0.069 118.818 118.700 0.082 0.000 2.609 199 N HA 0.211 4.951 4.740 -0.000 0.000 0.251 199 N C -1.256 174.330 175.510 0.127 0.000 1.526 199 N CA -0.232 52.874 53.050 0.093 0.000 0.931 199 N CB 0.545 39.079 38.487 0.079 0.000 1.460 199 N HN 0.362 nan 8.380 nan 0.000 0.526 200 A N 0.374 123.293 122.820 0.164 0.000 2.366 200 A HA 0.556 4.876 4.320 -0.000 0.000 0.250 200 A C -0.329 177.296 177.584 0.070 0.000 1.099 200 A CA -0.004 52.151 52.037 0.198 0.000 0.794 200 A CB 0.371 19.614 19.000 0.405 0.000 1.056 200 A HN 0.442 nan 8.150 nan 0.000 0.499 201 L N 0.627 121.828 121.223 -0.036 0.000 2.482 201 L HA 0.541 4.881 4.340 -0.000 0.000 0.269 201 L C -0.959 175.818 176.870 -0.155 0.000 0.967 201 L CA -0.273 54.502 54.840 -0.108 0.000 0.851 201 L CB 1.657 43.645 42.059 -0.120 0.000 1.242 201 L HN 0.712 nan 8.230 nan 0.000 0.404 202 L N 5.185 126.354 121.223 -0.091 0.000 2.290 202 L HA 0.497 4.837 4.340 -0.000 0.000 0.284 202 L C -0.738 176.099 176.870 -0.056 0.000 1.078 202 L CA -0.072 54.724 54.840 -0.073 0.000 0.815 202 L CB 0.314 42.380 42.059 0.011 0.000 1.162 202 L HN 0.640 nan 8.230 nan 0.000 0.435 203 K N 6.390 126.758 120.400 -0.053 0.000 2.270 203 K HA 0.568 4.887 4.320 -0.000 0.000 0.255 203 K C -1.165 175.474 176.600 0.064 0.000 0.936 203 K CA -0.545 55.748 56.287 0.010 0.000 0.809 203 K CB 2.286 34.796 32.500 0.016 0.000 1.131 203 K HN 0.519 nan 8.250 nan 0.000 0.427 204 I N 2.319 122.947 120.570 0.098 0.000 2.441 204 I HA 0.336 4.506 4.170 -0.000 0.000 0.295 204 I C -0.373 175.842 176.117 0.162 0.000 0.994 204 I CA -0.723 60.641 61.300 0.106 0.000 1.144 204 I CB 1.598 39.631 38.000 0.056 0.000 1.314 204 I HN 0.427 nan 8.210 nan 0.000 0.445 205 K N 5.484 125.981 120.400 0.161 0.000 2.397 205 K HA 0.392 4.712 4.320 -0.000 0.000 0.253 205 K C -1.958 174.774 176.600 0.221 0.000 0.932 205 K CA -0.652 55.703 56.287 0.113 0.000 0.795 205 K CB 1.821 34.309 32.500 -0.021 0.000 1.159 205 K HN 0.495 nan 8.250 nan 0.000 0.424 206 Y N 4.178 124.495 120.300 0.029 0.000 2.345 206 Y HA 0.349 4.899 4.550 -0.000 0.000 0.331 206 Y C 0.581 176.523 175.900 0.070 0.000 0.959 206 Y CA 0.696 58.807 58.100 0.019 0.000 1.204 206 Y CB 1.183 39.643 38.460 0.001 0.000 1.135 206 Y HN 1.005 nan 8.280 nan 0.000 0.477 207 G N 4.848 113.591 108.800 -0.096 0.000 2.620 207 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.315 207 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.315 207 G C 0.854 175.859 174.900 0.175 0.000 1.179 207 G CA 0.883 46.024 45.100 0.067 0.000 0.971 207 G HN 0.532 nan 8.290 nan 0.000 0.544 208 E N 1.337 121.578 120.200 0.068 0.000 2.431 208 E HA 0.437 4.787 4.350 -0.000 0.000 0.200 208 E C 1.397 177.938 176.600 -0.098 0.000 0.995 208 E CA 0.702 57.103 56.400 0.002 0.000 0.915 208 E CB 0.392 30.109 29.700 0.028 0.000 0.930 208 E HN 0.919 nan 8.360 nan 0.000 0.496 209 A N 1.403 124.206 122.820 -0.027 0.000 2.354 209 A HA 0.306 4.626 4.320 -0.000 0.000 0.281 209 A C -0.807 176.733 177.584 -0.074 0.000 1.174 209 A CA -0.338 51.697 52.037 -0.003 0.000 0.828 209 A CB -0.332 18.726 19.000 0.097 0.000 1.099 209 A HN -0.018 nan 8.150 nan 0.000 0.516 210 Y N 2.141 122.514 120.300 0.122 0.000 2.496 210 Y HA 0.198 4.748 4.550 -0.000 0.000 0.334 210 Y C 1.793 177.745 175.900 0.086 0.000 1.080 210 Y CA 1.015 59.177 58.100 0.102 0.000 1.355 210 Y CB 0.695 39.198 38.460 0.073 0.000 1.193 210 Y HN 0.803 nan 8.280 nan 0.000 0.523 211 T N -2.560 112.106 114.554 0.187 0.000 2.964 211 T HA 0.244 4.593 4.350 -0.000 0.000 0.250 211 T C -0.083 174.664 174.700 0.080 0.000 0.982 211 T CA 0.108 62.275 62.100 0.112 0.000 0.959 211 T CB 0.541 69.452 68.868 0.070 0.000 1.141 211 T HN 0.449 nan 8.240 nan 0.000 0.494 212 D N 0.593 121.044 120.400 0.085 0.000 2.622 212 D HA 0.535 5.175 4.640 -0.000 0.000 0.255 212 D C -1.313 175.018 176.300 0.053 0.000 1.246 212 D CA -0.095 53.940 54.000 0.058 0.000 0.795 212 D CB 2.291 43.111 40.800 0.034 0.000 1.369 212 D HN 0.349 nan 8.370 nan 0.000 0.425 213 T N -1.819 112.754 114.554 0.031 0.000 2.883 213 T HA 0.703 5.053 4.350 -0.000 0.000 0.296 213 T C -1.454 173.257 174.700 0.019 0.000 1.117 213 T CA -0.672 61.415 62.100 -0.023 0.000 1.006 213 T CB 1.617 70.405 68.868 -0.134 0.000 1.191 213 T HN 0.333 nan 8.240 nan 0.000 0.508 214 Y N 0.374 120.574 120.300 -0.166 0.000 2.492 214 Y HA 0.531 5.081 4.550 -0.000 0.000 0.346 214 Y C -0.586 175.213 175.900 -0.167 0.000 0.997 214 Y CA -0.839 57.206 58.100 -0.093 0.000 1.025 214 Y CB 1.811 40.264 38.460 -0.011 0.000 1.263 214 Y HN 0.824 nan 8.280 nan 0.000 0.454 215 H N 2.242 121.143 119.070 -0.280 0.000 2.499 215 H HA 0.227 4.783 4.556 -0.000 0.000 0.340 215 H C -0.345 174.978 175.328 -0.008 0.000 1.148 215 H CA -0.557 55.422 56.048 -0.116 0.000 1.215 215 H CB 2.195 31.864 29.762 -0.155 0.000 1.529 215 H HN 0.619 nan 8.280 nan 0.000 0.510 216 S N 1.825 117.617 115.700 0.153 0.000 2.626 216 S HA -0.112 4.358 4.470 -0.000 0.000 0.303 216 S C 0.753 175.423 174.600 0.116 0.000 1.256 216 S CA 0.217 58.471 58.200 0.091 0.000 1.069 216 S CB -0.228 63.007 63.200 0.058 0.000 0.807 216 S HN 0.636 nan 8.310 nan 0.000 0.500 217 Y N 2.762 123.127 120.300 0.109 0.000 2.444 217 Y HA 0.651 5.201 4.550 -0.000 0.000 0.252 217 Y C 1.310 177.251 175.900 0.069 0.000 1.091 217 Y CA 0.133 58.285 58.100 0.087 0.000 1.276 217 Y CB -0.245 38.300 38.460 0.143 0.000 1.170 217 Y HN 0.579 nan 8.280 nan 0.000 0.517 218 A N 0.351 123.020 122.820 -0.252 0.000 2.469 218 A HA 0.253 4.573 4.320 -0.000 0.000 0.245 218 A C 0.473 178.012 177.584 -0.075 0.000 1.221 218 A CA 0.102 52.073 52.037 -0.110 0.000 0.946 218 A CB -0.619 18.284 19.000 -0.162 0.000 1.049 218 A HN 0.479 nan 8.150 nan 0.000 0.529 219 N N -0.110 118.546 118.700 -0.073 0.000 2.714 219 N HA -0.173 4.567 4.740 -0.000 0.000 0.250 219 N C -0.464 175.032 175.510 -0.023 0.000 1.117 219 N CA 1.080 54.115 53.050 -0.025 0.000 0.719 219 N CB -1.111 37.376 38.487 0.001 0.000 1.081 219 N HN 0.445 nan 8.380 nan 0.000 0.557 220 N N 0.835 119.507 118.700 -0.048 0.000 2.675 220 N HA 0.308 5.048 4.740 -0.000 0.000 0.254 220 N C -0.781 174.714 175.510 -0.025 0.000 1.224 220 N CA -0.456 52.576 53.050 -0.030 0.000 0.777 220 N CB 0.135 38.605 38.487 -0.028 0.000 1.256 220 N HN 0.268 nan 8.380 nan 0.000 0.531 221 I N 1.015 121.592 120.570 0.012 0.000 7.474 221 I HA -0.331 3.839 4.170 -0.000 0.000 0.126 221 I C 0.017 176.205 176.117 0.118 0.000 1.805 221 I CA -0.039 61.302 61.300 0.068 0.000 2.128 221 I CB -0.797 37.187 38.000 -0.026 0.000 3.592 221 I HN 0.372 nan 8.210 nan 0.000 0.196 222 L N 4.802 126.099 121.223 0.125 0.000 2.615 222 L HA 0.168 4.507 4.340 -0.000 0.000 0.284 222 L C 0.674 177.668 176.870 0.207 0.000 1.237 222 L CA 1.391 56.286 54.840 0.092 0.000 0.905 222 L CB 0.144 42.251 42.059 0.079 0.000 1.149 222 L HN 0.421 nan 8.230 nan 0.000 0.499 223 R N 2.269 122.843 120.500 0.125 0.000 2.707 223 R HA 0.616 4.956 4.340 -0.000 0.000 0.272 223 R C -0.815 175.514 176.300 0.048 0.000 1.011 223 R CA -0.461 55.729 56.100 0.149 0.000 0.893 223 R CB 2.062 32.446 30.300 0.139 0.000 1.233 223 R HN 0.754 nan 8.270 nan 0.000 0.464 224 T N -1.011 113.560 114.554 0.029 0.000 2.676 224 T HA 0.182 4.532 4.350 -0.000 0.000 0.269 224 T C 0.424 175.091 174.700 -0.055 0.000 0.952 224 T CA -0.371 61.700 62.100 -0.048 0.000 1.040 224 T CB 1.507 70.323 68.868 -0.087 0.000 1.352 224 T HN 0.565 nan 8.240 nan 0.000 0.554 225 Q N 0.084 119.813 119.800 -0.118 0.000 2.167 225 Q HA -0.029 4.311 4.340 -0.000 0.000 0.202 225 Q C -0.110 175.815 176.000 -0.125 0.000 0.970 225 Q CA 1.150 56.878 55.803 -0.124 0.000 0.855 225 Q CB 0.052 28.695 28.738 -0.157 0.000 0.911 225 Q HN 0.620 nan 8.270 nan 0.000 0.438 226 E N -0.045 120.039 120.200 -0.194 0.000 2.791 226 E HA -0.175 4.175 4.350 -0.000 0.000 0.271 226 E C -0.479 175.826 176.600 -0.492 0.000 1.044 226 E CA 1.140 57.421 56.400 -0.198 0.000 0.814 226 E CB -2.189 27.594 29.700 0.138 0.000 1.400 226 E HN 0.459 nan 8.360 nan 0.000 0.423 227 S N -2.578 112.616 115.700 -0.843 0.000 2.636 227 S HA 0.736 5.206 4.470 -0.000 0.000 0.268 227 S C -0.353 173.815 174.600 -0.721 0.000 1.159 227 S CA -0.575 57.136 58.200 -0.815 0.000 0.815 227 S CB 1.828 64.964 63.200 -0.107 0.000 1.130 227 S HN 0.684 nan 8.310 nan 0.000 0.471 228 A N 0.654 123.349 122.820 -0.209 0.000 2.511 228 A HA 0.501 4.821 4.320 -0.000 0.000 0.242 228 A C 1.030 178.612 177.584 -0.005 0.000 1.069 228 A CA -0.035 52.015 52.037 0.021 0.000 0.763 228 A CB -1.407 17.765 19.000 0.288 0.000 1.001 228 A HN 1.707 nan 8.150 nan 0.000 0.498 229 c N 1.554 120.154 118.600 -0.001 0.000 2.574 229 c HA 0.634 5.204 4.570 -0.000 0.000 0.335 229 c C 0.231 174.368 174.090 0.079 0.000 1.493 229 c CA -1.282 55.059 56.329 0.021 0.000 2.217 229 c CB 0.096 42.603 42.510 -0.006 0.000 2.056 229 c HN 0.790 nan 8.230 nan 0.000 0.607 230 N N -0.349 118.403 118.700 0.086 0.000 2.500 230 N HA 0.362 5.102 4.740 -0.000 0.000 0.291 230 N C -1.650 174.031 175.510 0.285 0.000 1.092 230 N CA -0.134 53.004 53.050 0.147 0.000 0.890 230 N CB 1.707 40.080 38.487 -0.191 0.000 1.466 230 N HN 0.744 nan 8.380 nan 0.000 0.507 231 c N 2.657 121.447 118.600 0.317 0.000 2.319 231 c HA 0.654 5.224 4.570 -0.000 0.000 0.335 231 c C 0.661 174.832 174.090 0.135 0.000 1.274 231 c CA -0.814 55.620 56.329 0.176 0.000 1.806 231 c CB -0.302 42.218 42.510 0.015 0.000 2.329 231 c HN 0.676 nan 8.230 nan 0.000 0.524 232 I N 2.013 122.595 120.570 0.020 0.000 2.512 232 I HA 0.579 4.749 4.170 -0.000 0.000 0.287 232 I C 0.796 176.643 176.117 -0.450 0.000 1.069 232 I CA 0.461 61.606 61.300 -0.258 0.000 1.056 232 I CB 1.259 39.220 38.000 -0.064 0.000 1.229 232 I HN 0.942 nan 8.210 nan 0.000 0.429 233 G N 4.643 112.898 108.800 -0.908 0.000 2.296 233 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.282 233 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.282 233 G C 1.057 175.302 174.900 -1.092 0.000 1.014 233 G CA 0.619 45.243 45.100 -0.793 0.000 0.812 233 G HN 2.058 nan 8.290 nan 0.000 0.508 234 G N -1.517 106.649 108.800 -1.057 0.000 2.234 234 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.235 234 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.235 234 G C 0.158 174.591 174.900 -0.777 0.000 0.997 234 G CA 0.365 44.579 45.100 -1.477 0.000 0.623 234 G HN 1.057 nan 8.290 nan 0.000 0.514 235 N N 0.819 119.187 118.700 -0.554 0.000 2.414 235 N HA 0.481 5.221 4.740 -0.000 0.000 0.256 235 N C -0.220 175.066 175.510 -0.374 0.000 1.029 235 N CA 0.167 52.935 53.050 -0.469 0.000 0.948 235 N CB 1.061 39.301 38.487 -0.412 0.000 1.102 235 N HN 0.302 nan 8.380 nan 0.000 0.496 236 c N 3.082 121.452 118.600 -0.384 0.000 2.295 236 c HA 0.435 5.005 4.570 -0.000 0.000 0.331 236 c C -0.095 173.822 174.090 -0.288 0.000 1.280 236 c CA -0.821 55.388 56.329 -0.200 0.000 1.746 236 c CB -1.235 41.199 42.510 -0.126 0.000 2.328 236 c HN 0.555 nan 8.230 nan 0.000 0.521 237 Y N 2.599 122.881 120.300 -0.030 0.000 2.360 237 Y HA 0.691 5.241 4.550 -0.000 0.000 0.337 237 Y C -0.015 175.908 175.900 0.040 0.000 1.039 237 Y CA -0.713 57.385 58.100 -0.004 0.000 1.109 237 Y CB 1.180 39.618 38.460 -0.036 0.000 1.201 237 Y HN 0.553 nan 8.280 nan 0.000 0.458 238 L N 4.673 126.013 121.223 0.195 0.000 2.431 238 L HA 0.526 4.866 4.340 -0.000 0.000 0.266 238 L C -1.047 175.755 176.870 -0.112 0.000 0.978 238 L CA -0.876 53.991 54.840 0.044 0.000 0.822 238 L CB 1.833 43.851 42.059 -0.070 0.000 1.310 238 L HN 0.711 nan 8.230 nan 0.000 0.409 239 M N 6.251 125.641 119.600 -0.351 0.000 2.211 239 M HA 0.464 4.944 4.480 -0.000 0.000 0.356 239 M C -0.937 175.097 176.300 -0.443 0.000 1.216 239 M CA -0.352 54.422 55.300 -0.877 0.000 1.134 239 M CB 0.620 32.737 32.600 -0.805 0.000 1.564 239 M HN 0.709 nan 8.290 nan 0.000 0.463 240 I N 1.146 121.472 120.570 -0.406 0.000 2.740 240 I HA 0.750 4.920 4.170 -0.000 0.000 0.303 240 I C -0.735 175.345 176.117 -0.061 0.000 1.044 240 I CA -0.561 60.640 61.300 -0.166 0.000 1.064 240 I CB 2.426 40.364 38.000 -0.102 0.000 1.249 240 I HN 0.594 nan 8.210 nan 0.000 0.433 241 T N 1.510 116.076 114.554 0.021 0.000 2.841 241 T HA 0.484 4.834 4.350 -0.000 0.000 0.296 241 T C -1.956 172.728 174.700 -0.026 0.000 1.166 241 T CA -0.264 61.876 62.100 0.067 0.000 1.007 241 T CB 1.822 70.679 68.868 -0.017 0.000 1.253 241 T HN 0.877 nan 8.240 nan 0.000 0.511 242 D N -0.533 119.776 120.400 -0.152 0.000 2.803 242 D HA 0.622 5.262 4.640 -0.000 0.000 0.218 242 D C -0.392 175.779 176.300 -0.215 0.000 1.245 242 D CA 0.719 54.524 54.000 -0.326 0.000 0.821 242 D CB 1.827 42.056 40.800 -0.953 0.000 1.626 242 D HN 1.092 nan 8.370 nan 0.000 0.487 243 G N 0.641 109.359 108.800 -0.136 0.000 2.369 243 G HA2 0.263 4.223 3.960 -0.000 0.000 0.307 243 G HA3 0.263 4.223 3.960 -0.000 0.000 0.307 243 G C -1.022 173.860 174.900 -0.030 0.000 1.327 243 G CA -0.238 44.816 45.100 -0.077 0.000 0.963 243 G HN 0.455 nan 8.290 nan 0.000 0.590 244 S N -0.269 115.438 115.700 0.012 0.000 2.549 244 S HA 0.488 4.958 4.470 -0.000 0.000 0.283 244 S C 1.801 176.472 174.600 0.117 0.000 1.320 244 S CA 0.935 59.161 58.200 0.044 0.000 1.058 244 S CB 0.883 64.110 63.200 0.046 0.000 0.882 244 S HN 2.056 nan 8.310 nan 0.000 0.498 245 A N 4.251 127.127 122.820 0.094 0.000 2.019 245 A HA -0.003 4.317 4.320 -0.000 0.000 0.219 245 A C 2.017 179.633 177.584 0.053 0.000 1.164 245 A CA 1.768 53.882 52.037 0.129 0.000 0.644 245 A CB -0.459 18.573 19.000 0.053 0.000 0.805 245 A HN 0.766 nan 8.150 nan 0.000 0.449 246 S N -1.457 114.240 115.700 -0.005 0.000 2.557 246 S HA 0.437 4.907 4.470 -0.000 0.000 0.223 246 S C 0.838 175.354 174.600 -0.142 0.000 0.969 246 S CA 0.205 58.339 58.200 -0.110 0.000 0.927 246 S CB 0.463 63.612 63.200 -0.084 0.000 0.806 246 S HN 0.820 nan 8.310 nan 0.000 0.489 247 G N 0.917 109.718 108.800 0.001 0.000 3.137 247 G HA2 0.517 4.477 3.960 -0.000 0.000 0.196 247 G HA3 0.517 4.477 3.960 -0.000 0.000 0.196 247 G C -1.011 174.081 174.900 0.320 0.000 1.135 247 G CA -0.654 44.505 45.100 0.098 0.000 0.803 247 G HN 0.138 nan 8.290 nan 0.000 0.619 248 I N 1.828 122.559 120.570 0.267 0.000 2.471 248 I HA 0.340 4.510 4.170 -0.000 0.000 0.286 248 I C -0.216 175.926 176.117 0.042 0.000 1.079 248 I CA 0.280 61.715 61.300 0.226 0.000 1.398 248 I CB 0.699 38.784 38.000 0.141 0.000 1.403 248 I HN 0.095 nan 8.210 nan 0.000 0.530 249 S N 5.696 121.306 115.700 -0.150 0.000 2.389 249 S HA 0.173 4.643 4.470 -0.000 0.000 0.201 249 S C -0.062 174.453 174.600 -0.142 0.000 1.422 249 S CA -0.686 57.338 58.200 -0.294 0.000 1.216 249 S CB 0.586 63.368 63.200 -0.696 0.000 1.130 249 S HN 0.568 nan 8.310 nan 0.000 0.465 250 E N 2.556 122.775 120.200 0.032 0.000 2.070 250 E HA 0.217 4.567 4.350 -0.000 0.000 0.282 250 E C 0.481 177.192 176.600 0.185 0.000 1.104 250 E CA -0.533 55.931 56.400 0.107 0.000 0.876 250 E CB 0.246 30.026 29.700 0.133 0.000 1.055 250 E HN 0.781 nan 8.360 nan 0.000 0.401 251 C N 3.699 123.066 119.300 0.112 0.000 2.595 251 C HA 0.568 5.028 4.460 -0.000 0.000 0.384 251 C C 0.219 175.252 174.990 0.072 0.000 1.289 251 C CA -0.720 58.349 59.018 0.086 0.000 2.372 251 C CB 0.216 27.936 27.740 -0.033 0.000 2.593 251 C HN 0.802 nan 8.230 nan 0.000 0.639 252 R N 0.504 120.981 120.500 -0.038 0.000 2.912 252 R HA 0.702 5.042 4.340 -0.000 0.000 0.262 252 R C -1.582 174.545 176.300 -0.288 0.000 1.057 252 R CA -0.478 55.569 56.100 -0.089 0.000 0.981 252 R CB 1.477 31.664 30.300 -0.189 0.000 1.201 252 R HN 0.718 nan 8.270 nan 0.000 0.484 253 F N 1.161 121.017 119.950 -0.156 0.000 2.467 253 F HA 0.419 4.946 4.527 -0.000 0.000 0.336 253 F C -0.183 175.491 175.800 -0.211 0.000 1.123 253 F CA -0.722 57.197 58.000 -0.136 0.000 0.964 253 F CB 1.388 40.353 39.000 -0.058 0.000 1.136 253 F HN 0.025 nan 8.300 nan 0.000 0.447 254 L N 4.030 125.204 121.223 -0.081 0.000 2.276 254 L HA 0.392 4.732 4.340 -0.000 0.000 0.286 254 L C -0.033 176.771 176.870 -0.109 0.000 1.061 254 L CA -0.665 54.073 54.840 -0.170 0.000 0.807 254 L CB 1.395 43.290 42.059 -0.275 0.000 1.177 254 L HN 0.536 nan 8.230 nan 0.000 0.429 255 K N 4.965 125.251 120.400 -0.189 0.000 2.253 255 K HA 0.547 4.867 4.320 -0.000 0.000 0.277 255 K C -1.054 175.344 176.600 -0.336 0.000 1.053 255 K CA -0.409 55.632 56.287 -0.410 0.000 0.892 255 K CB 0.701 32.973 32.500 -0.380 0.000 1.102 255 K HN 0.499 nan 8.250 nan 0.000 0.469 256 I N 4.250 124.601 120.570 -0.365 0.000 2.436 256 I HA 0.372 4.542 4.170 -0.000 0.000 0.289 256 I C -0.309 175.620 176.117 -0.313 0.000 1.010 256 I CA -0.809 60.330 61.300 -0.269 0.000 1.098 256 I CB 1.909 39.791 38.000 -0.198 0.000 1.266 256 I HN 0.466 nan 8.210 nan 0.000 0.434 257 R N 5.597 125.916 120.500 -0.301 0.000 2.409 257 R HA 0.328 4.668 4.340 -0.000 0.000 0.313 257 R C -0.409 175.652 176.300 -0.399 0.000 0.953 257 R CA -0.298 55.592 56.100 -0.351 0.000 0.849 257 R CB 0.824 30.930 30.300 -0.323 0.000 1.171 257 R HN 0.695 nan 8.270 nan 0.000 0.458 258 E N 2.683 122.544 120.200 -0.564 0.000 2.360 258 E HA -0.264 4.086 4.350 -0.000 0.000 0.238 258 E C 0.454 176.377 176.600 -1.129 0.000 1.186 258 E CA 0.770 56.474 56.400 -1.160 0.000 0.719 258 E CB -1.049 28.319 29.700 -0.555 0.000 1.236 258 E HN 1.184 nan 8.360 nan 0.000 0.386 259 G N -0.126 108.257 108.800 -0.694 0.000 2.176 259 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.253 259 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.253 259 G C 0.170 174.975 174.900 -0.158 0.000 0.979 259 G CA 0.519 45.454 45.100 -0.275 0.000 0.641 259 G HN 0.278 nan 8.290 nan 0.000 0.530 260 R N -0.343 120.040 120.500 -0.195 0.000 2.494 260 R HA 0.620 4.960 4.340 -0.000 0.000 0.305 260 R C 0.265 176.493 176.300 -0.120 0.000 0.959 260 R CA -0.960 55.072 56.100 -0.114 0.000 0.864 260 R CB 1.446 31.691 30.300 -0.092 0.000 1.159 260 R HN 0.241 nan 8.270 nan 0.000 0.446 261 I N 4.911 125.437 120.570 -0.072 0.000 2.533 261 I HA 0.005 4.175 4.170 -0.000 0.000 0.284 261 I C 1.477 177.553 176.117 -0.068 0.000 1.109 261 I CA 0.425 61.678 61.300 -0.078 0.000 1.412 261 I CB 0.510 38.502 38.000 -0.013 0.000 1.396 261 I HN 0.709 nan 8.210 nan 0.000 0.543 262 I N 2.170 122.676 120.570 -0.106 0.000 4.288 262 I HA 0.408 4.578 4.170 -0.000 0.000 0.331 262 I C 0.465 176.535 176.117 -0.077 0.000 1.322 262 I CA -0.066 61.180 61.300 -0.091 0.000 1.149 262 I CB 0.214 38.141 38.000 -0.121 0.000 1.112 262 I HN 0.440 nan 8.210 nan 0.000 0.403 263 K N 1.519 121.861 120.400 -0.097 0.000 2.562 263 K HA 0.462 4.782 4.320 -0.000 0.000 0.267 263 K C -1.464 175.054 176.600 -0.138 0.000 0.938 263 K CA -0.489 55.742 56.287 -0.093 0.000 0.840 263 K CB 2.649 35.100 32.500 -0.082 0.000 1.390 263 K HN 0.067 nan 8.250 nan 0.000 0.428 264 E N 2.837 122.916 120.200 -0.202 0.000 2.158 264 E HA 0.401 4.751 4.350 -0.000 0.000 0.271 264 E C -0.899 175.310 176.600 -0.652 0.000 0.911 264 E CA -0.572 55.578 56.400 -0.416 0.000 0.767 264 E CB 1.936 31.362 29.700 -0.457 0.000 1.120 264 E HN 0.330 nan 8.360 nan 0.000 0.405 265 I N 3.529 123.772 120.570 -0.545 0.000 2.389 265 I HA 0.303 4.473 4.170 -0.000 0.000 0.288 265 I C -1.023 174.855 176.117 -0.397 0.000 0.999 265 I CA -0.755 60.326 61.300 -0.364 0.000 1.129 265 I CB 0.765 38.723 38.000 -0.069 0.000 1.288 265 I HN 0.387 nan 8.210 nan 0.000 0.444 266 F N 6.663 126.643 119.950 0.050 0.000 2.361 266 F HA 0.495 5.022 4.527 -0.000 0.000 0.364 266 F C -2.090 173.743 175.800 0.055 0.000 1.117 266 F CA -2.595 55.426 58.000 0.036 0.000 1.071 266 F CB 0.419 39.422 39.000 0.005 0.000 1.188 266 F HN 0.199 nan 8.300 nan 0.000 0.464 267 P HA 0.291 nan 4.420 nan 0.000 0.274 267 P C -0.207 177.174 177.300 0.135 0.000 1.231 267 P CA -0.374 62.831 63.100 0.176 0.000 0.790 267 P CB 0.886 32.714 31.700 0.213 0.000 0.951 268 T N -1.759 112.851 114.554 0.093 0.000 2.948 268 T HA 0.724 5.074 4.350 -0.000 0.000 0.285 268 T C 0.542 175.248 174.700 0.009 0.000 1.019 268 T CA 0.026 62.156 62.100 0.050 0.000 1.013 268 T CB 1.362 70.253 68.868 0.039 0.000 1.117 268 T HN 0.738 nan 8.240 nan 0.000 0.533 269 G N 1.002 109.784 108.800 -0.030 0.000 2.545 269 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.240 269 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.240 269 G C -0.275 174.576 174.900 -0.083 0.000 1.172 269 G CA -0.253 44.792 45.100 -0.092 0.000 0.949 269 G HN 0.883 nan 8.290 nan 0.000 0.574 270 R N 1.664 122.095 120.500 -0.115 0.000 2.419 270 R HA 0.388 4.728 4.340 -0.000 0.000 0.305 270 R C 1.321 177.606 176.300 -0.025 0.000 1.242 270 R CA 0.713 56.760 56.100 -0.089 0.000 1.105 270 R CB -0.084 30.140 30.300 -0.126 0.000 1.116 270 R HN 1.249 nan 8.270 nan 0.000 0.523 271 V N 1.257 121.166 119.914 -0.007 0.000 3.528 271 V HA 0.187 4.306 4.120 -0.000 0.000 0.294 271 V C 1.922 178.044 176.094 0.046 0.000 1.404 271 V CA -0.172 62.151 62.300 0.038 0.000 1.065 271 V CB 0.073 31.925 31.823 0.048 0.000 0.904 271 V HN 0.450 nan 8.190 nan 0.000 0.435 272 K N 0.918 121.328 120.400 0.016 0.000 2.052 272 K HA -0.217 4.103 4.320 -0.000 0.000 0.215 272 K C 0.588 177.300 176.600 0.186 0.000 1.053 272 K CA 2.301 58.596 56.287 0.013 0.000 0.934 272 K CB -0.131 32.268 32.500 -0.169 0.000 0.717 272 K HN 0.779 nan 8.250 nan 0.000 0.450 273 H N -1.286 117.867 119.070 0.138 0.000 3.149 273 H HA 0.230 4.786 4.556 -0.000 0.000 0.334 273 H C -1.857 173.542 175.328 0.118 0.000 1.000 273 H CA -0.600 55.554 56.048 0.176 0.000 1.415 273 H CB 1.799 31.732 29.762 0.284 0.000 1.819 273 H HN -0.059 nan 8.280 nan 0.000 0.486 274 T N 4.955 119.576 114.554 0.113 0.000 3.011 274 T HA 0.320 4.670 4.350 -0.000 0.000 0.303 274 T C -1.123 173.613 174.700 0.059 0.000 0.997 274 T CA -0.962 61.222 62.100 0.139 0.000 1.007 274 T CB 1.461 70.391 68.868 0.103 0.000 1.017 274 T HN 0.740 nan 8.240 nan 0.000 0.443 275 E N 1.106 121.375 120.200 0.115 0.000 2.449 275 E HA 0.559 4.908 4.350 -0.000 0.000 0.278 275 E C -1.147 175.476 176.600 0.038 0.000 0.992 275 E CA -1.268 55.167 56.400 0.058 0.000 0.807 275 E CB 1.167 30.926 29.700 0.099 0.000 1.350 275 E HN 0.484 nan 8.360 nan 0.000 0.462 276 E N -0.424 119.782 120.200 0.009 0.000 2.228 276 E HA -0.208 4.142 4.350 -0.000 0.000 0.213 276 E C -0.784 175.810 176.600 -0.010 0.000 1.282 276 E CA 0.414 56.804 56.400 -0.016 0.000 0.707 276 E CB -1.859 27.805 29.700 -0.060 0.000 1.150 276 E HN 0.441 nan 8.360 nan 0.000 0.362 277 c N 1.147 119.743 118.600 -0.006 0.000 2.648 277 c HA 0.121 4.691 4.570 -0.000 0.000 0.419 277 c C 1.209 175.337 174.090 0.063 0.000 1.352 277 c CA 0.027 56.378 56.329 0.036 0.000 1.816 277 c CB -0.078 42.465 42.510 0.055 0.000 2.598 277 c HN 0.292 nan 8.230 nan 0.000 0.598 278 T N 3.947 118.573 114.554 0.120 0.000 2.753 278 T HA 0.373 4.723 4.350 -0.000 0.000 0.297 278 T C -0.151 174.697 174.700 0.247 0.000 0.981 278 T CA -0.288 61.923 62.100 0.186 0.000 0.956 278 T CB 0.222 69.242 68.868 0.254 0.000 0.936 278 T HN 0.770 nan 8.240 nan 0.000 0.463 279 c N 2.785 121.488 118.600 0.172 0.000 2.529 279 c HA 1.023 5.593 4.570 -0.000 0.000 0.329 279 c C 0.984 175.107 174.090 0.054 0.000 1.194 279 c CA -0.517 55.891 56.329 0.132 0.000 1.779 279 c CB 1.169 43.727 42.510 0.081 0.000 2.322 279 c HN 1.114 nan 8.230 nan 0.000 0.500 280 G N 0.198 109.011 108.800 0.022 0.000 2.649 280 G HA2 0.656 4.616 3.960 -0.000 0.000 0.290 280 G HA3 0.656 4.616 3.960 -0.000 0.000 0.290 280 G C -1.650 173.131 174.900 -0.198 0.000 1.426 280 G CA -0.477 44.619 45.100 -0.007 0.000 0.794 280 G HN 0.436 nan 8.290 nan 0.000 0.483 281 F N 1.216 121.122 119.950 -0.073 0.000 2.445 281 F HA 0.481 5.008 4.527 -0.000 0.000 0.359 281 F C 1.485 176.920 175.800 -0.608 0.000 1.101 281 F CA 0.282 58.144 58.000 -0.230 0.000 1.177 281 F CB 1.957 40.896 39.000 -0.103 0.000 1.110 281 F HN 0.569 nan 8.300 nan 0.000 0.522 282 A N 2.413 124.891 122.820 -0.570 0.000 1.975 282 A HA 0.195 4.515 4.320 -0.000 0.000 0.215 282 A C 0.867 178.362 177.584 -0.150 0.000 1.170 282 A CA 1.258 52.946 52.037 -0.581 0.000 0.656 282 A CB -0.245 18.572 19.000 -0.304 0.000 0.821 282 A HN 0.701 nan 8.150 nan 0.000 0.449 283 S N -3.128 112.555 115.700 -0.029 0.000 2.724 283 S HA 0.282 4.752 4.470 -0.000 0.000 0.278 283 S C -0.005 174.632 174.600 0.062 0.000 1.190 283 S CA -0.328 57.881 58.200 0.014 0.000 0.860 283 S CB 0.187 63.387 63.200 0.000 0.000 1.206 283 S HN 0.040 nan 8.310 nan 0.000 0.507 284 N N 0.587 119.295 118.700 0.013 0.000 2.453 284 N HA 0.015 4.755 4.740 -0.000 0.000 0.183 284 N C 1.191 176.737 175.510 0.060 0.000 1.041 284 N CA 0.942 53.999 53.050 0.012 0.000 0.900 284 N CB -0.264 38.221 38.487 -0.003 0.000 0.961 284 N HN 0.653 nan 8.380 nan 0.000 0.443 285 K N -0.444 119.981 120.400 0.040 0.000 2.202 285 K HA 0.072 4.392 4.320 -0.000 0.000 0.201 285 K C -0.253 176.340 176.600 -0.010 0.000 1.051 285 K CA 0.715 57.010 56.287 0.015 0.000 0.977 285 K CB 0.439 32.937 32.500 -0.003 0.000 0.792 285 K HN -0.082 nan 8.250 nan 0.000 0.469 286 T N 1.141 115.691 114.554 -0.007 0.000 2.824 286 T HA 0.443 4.793 4.350 -0.000 0.000 0.282 286 T C -0.404 174.224 174.700 -0.119 0.000 0.993 286 T CA -0.619 61.434 62.100 -0.078 0.000 0.967 286 T CB 1.880 70.703 68.868 -0.075 0.000 0.960 286 T HN 0.021 nan 8.240 nan 0.000 0.441 287 I N 2.705 123.118 120.570 -0.262 0.000 2.392 287 I HA 0.379 4.548 4.170 -0.000 0.000 0.295 287 I C 0.366 176.345 176.117 -0.230 0.000 0.985 287 I CA -0.631 60.446 61.300 -0.371 0.000 1.221 287 I CB 1.367 39.023 38.000 -0.574 0.000 1.366 287 I HN 0.553 nan 8.210 nan 0.000 0.467 288 E N 4.737 124.894 120.200 -0.072 0.000 2.227 288 E HA 0.588 4.938 4.350 -0.000 0.000 0.268 288 E C -1.532 175.097 176.600 0.049 0.000 0.907 288 E CA -0.733 55.660 56.400 -0.011 0.000 0.786 288 E CB 2.428 32.320 29.700 0.320 0.000 1.191 288 E HN 0.493 nan 8.360 nan 0.000 0.411 289 c N 1.413 119.821 118.600 -0.320 0.000 2.626 289 c HA 0.772 5.341 4.570 -0.000 0.000 0.310 289 c C -0.252 173.509 174.090 -0.548 0.000 1.191 289 c CA -0.747 55.490 56.329 -0.152 0.000 1.517 289 c CB 1.051 43.587 42.510 0.043 0.000 2.102 289 c HN 0.799 nan 8.230 nan 0.000 0.479 290 A N 1.558 124.198 122.820 -0.299 0.000 2.287 290 A HA 0.804 5.124 4.320 -0.000 0.000 0.317 290 A C -0.271 177.312 177.584 -0.003 0.000 1.220 290 A CA -0.196 51.709 52.037 -0.219 0.000 0.835 290 A CB 0.196 19.066 19.000 -0.216 0.000 1.180 290 A HN 1.005 nan 8.150 nan 0.000 0.500 291 c N 0.684 119.303 118.600 0.031 0.000 2.967 291 c HA 0.820 5.389 4.570 -0.000 0.000 0.372 291 c C 0.301 174.424 174.090 0.055 0.000 1.455 291 c CA -0.838 55.523 56.329 0.053 0.000 1.638 291 c CB 1.485 44.040 42.510 0.076 0.000 2.096 291 c HN 0.948 nan 8.230 nan 0.000 0.466 292 R N 1.127 121.663 120.500 0.061 0.000 2.437 292 R HA 0.397 4.737 4.340 -0.000 0.000 0.310 292 R C -1.623 174.740 176.300 0.106 0.000 0.955 292 R CA -0.062 56.067 56.100 0.048 0.000 0.851 292 R CB 0.835 31.143 30.300 0.013 0.000 1.161 292 R HN 0.832 nan 8.270 nan 0.000 0.446 293 D N 3.235 123.657 120.400 0.036 0.000 2.427 293 D HA 0.069 4.708 4.640 -0.000 0.000 0.226 293 D C -0.145 175.997 176.300 -0.263 0.000 1.076 293 D CA -0.257 53.721 54.000 -0.037 0.000 0.849 293 D CB 1.248 42.063 40.800 0.026 0.000 1.052 293 D HN 0.589 nan 8.370 nan 0.000 0.515 294 N N 1.607 119.955 118.700 -0.586 0.000 2.383 294 N HA 0.018 4.758 4.740 -0.000 0.000 0.192 294 N C 0.347 175.554 175.510 -0.505 0.000 1.141 294 N CA 0.369 53.158 53.050 -0.434 0.000 0.851 294 N CB 0.480 38.823 38.487 -0.241 0.000 0.976 294 N HN 0.161 nan 8.380 nan 0.000 0.465 295 S N -1.781 113.518 115.700 -0.668 0.000 3.056 295 S HA 0.169 4.639 4.470 -0.000 0.000 0.255 295 S C 0.687 174.921 174.600 -0.610 0.000 1.079 295 S CA -0.174 57.596 58.200 -0.717 0.000 0.810 295 S CB -0.012 62.492 63.200 -1.161 0.000 0.810 295 S HN 0.255 nan 8.310 nan 0.000 0.477 296 Y N 1.691 121.901 120.300 -0.151 0.000 2.522 296 Y HA 0.469 5.019 4.550 -0.000 0.000 0.277 296 Y C 1.200 177.037 175.900 -0.105 0.000 1.104 296 Y CA 0.322 58.364 58.100 -0.096 0.000 1.260 296 Y CB 0.317 38.742 38.460 -0.059 0.000 1.151 296 Y HN 0.209 nan 8.280 nan 0.000 0.539 297 T N -1.239 113.327 114.554 0.019 0.000 2.883 297 T HA 0.663 5.013 4.350 -0.000 0.000 0.301 297 T C 0.154 174.797 174.700 -0.095 0.000 1.158 297 T CA -0.146 61.924 62.100 -0.051 0.000 1.007 297 T CB 1.588 70.431 68.868 -0.041 0.000 1.186 297 T HN 0.015 nan 8.240 nan 0.000 0.499 298 A N 2.229 124.956 122.820 -0.155 0.000 2.308 298 A HA 0.367 4.687 4.320 -0.000 0.000 0.217 298 A C 0.710 178.226 177.584 -0.114 0.000 1.216 298 A CA 0.103 52.058 52.037 -0.137 0.000 0.864 298 A CB -0.158 18.752 19.000 -0.151 0.000 0.902 298 A HN 0.685 nan 8.150 nan 0.000 0.499 299 K N 1.019 121.332 120.400 -0.145 0.000 2.237 299 K HA 0.313 4.633 4.320 -0.000 0.000 0.270 299 K C -0.310 176.288 176.600 -0.004 0.000 1.015 299 K CA -0.346 55.910 56.287 -0.051 0.000 0.949 299 K CB 0.822 33.283 32.500 -0.064 0.000 0.976 299 K HN 0.253 nan 8.250 nan 0.000 0.472 300 R N 2.722 123.237 120.500 0.025 0.000 2.340 300 R HA 0.178 4.518 4.340 -0.000 0.000 0.300 300 R C -2.331 174.039 176.300 0.116 0.000 1.069 300 R CA -1.930 54.205 56.100 0.058 0.000 0.984 300 R CB 0.389 30.721 30.300 0.054 0.000 1.003 300 R HN 0.356 nan 8.270 nan 0.000 0.459 301 P HA -0.010 nan 4.420 nan 0.000 0.268 301 P C -1.051 176.405 177.300 0.261 0.000 1.205 301 P CA 0.293 63.495 63.100 0.170 0.000 0.771 301 P CB 0.339 32.125 31.700 0.143 0.000 0.858 302 F N 3.608 123.676 119.950 0.196 0.000 2.553 302 F HA 0.340 4.867 4.527 -0.000 0.000 0.335 302 F C -0.822 175.224 175.800 0.409 0.000 1.148 302 F CA -0.818 57.333 58.000 0.252 0.000 0.963 302 F CB 1.049 40.214 39.000 0.275 0.000 1.217 302 F HN -0.045 nan 8.300 nan 0.000 0.441 303 V N 5.682 125.647 119.914 0.085 0.000 2.607 303 V HA 0.368 4.488 4.120 -0.000 0.000 0.289 303 V C -0.358 175.760 176.094 0.039 0.000 1.053 303 V CA -0.665 61.730 62.300 0.157 0.000 0.996 303 V CB 1.591 33.479 31.823 0.109 0.000 0.995 303 V HN 0.584 nan 8.190 nan 0.000 0.476 304 K N 4.585 125.071 120.400 0.144 0.000 2.616 304 K HA 0.483 4.803 4.320 -0.000 0.000 0.241 304 K C -1.330 175.217 176.600 -0.089 0.000 0.961 304 K CA -0.471 55.816 56.287 0.000 0.000 0.942 304 K CB 1.914 34.393 32.500 -0.035 0.000 1.153 304 K HN 0.513 nan 8.250 nan 0.000 0.452 305 L N 3.407 124.477 121.223 -0.255 0.000 2.265 305 L HA 0.274 4.614 4.340 -0.000 0.000 0.289 305 L C -0.306 176.390 176.870 -0.291 0.000 1.033 305 L CA -0.612 54.006 54.840 -0.369 0.000 0.814 305 L CB 0.759 42.423 42.059 -0.659 0.000 1.203 305 L HN 0.532 nan 8.230 nan 0.000 0.423 306 N N 3.726 122.303 118.700 -0.204 0.000 2.411 306 N HA 0.026 4.766 4.740 -0.000 0.000 0.259 306 N C 0.668 176.054 175.510 -0.207 0.000 1.103 306 N CA -0.196 52.761 53.050 -0.156 0.000 0.954 306 N CB 1.749 40.190 38.487 -0.077 0.000 1.085 306 N HN 0.528 nan 8.380 nan 0.000 0.485 307 V N 1.115 120.898 119.914 -0.220 0.000 3.573 307 V HA 0.132 4.252 4.120 -0.000 0.000 0.270 307 V C 1.285 177.359 176.094 -0.033 0.000 1.221 307 V CA 0.906 63.059 62.300 -0.244 0.000 1.163 307 V CB -0.434 31.225 31.823 -0.272 0.000 0.847 307 V HN 0.528 nan 8.190 nan 0.000 0.468 308 E N 1.781 121.966 120.200 -0.024 0.000 2.099 308 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 308 E C 2.244 178.849 176.600 0.008 0.000 0.962 308 E CA 1.380 57.786 56.400 0.010 0.000 0.826 308 E CB -0.081 29.624 29.700 0.008 0.000 0.788 308 E HN 0.802 nan 8.360 nan 0.000 0.461 309 T N -1.653 112.896 114.554 -0.008 0.000 3.081 309 T HA 0.004 4.354 4.350 -0.000 0.000 0.250 309 T C 0.134 174.832 174.700 -0.004 0.000 1.100 309 T CA 0.161 62.260 62.100 -0.002 0.000 1.038 309 T CB 0.056 68.923 68.868 -0.002 0.000 0.962 309 T HN -0.112 nan 8.240 nan 0.000 0.516 310 D N 2.256 122.643 120.400 -0.021 0.000 2.699 310 D HA -0.114 4.526 4.640 -0.000 0.000 0.239 310 D C -0.168 176.111 176.300 -0.034 0.000 1.136 310 D CA 1.466 55.458 54.000 -0.014 0.000 0.668 310 D CB -1.721 39.107 40.800 0.047 0.000 1.060 310 D HN 0.811 nan 8.370 nan 0.000 0.429 311 T N -2.795 111.723 114.554 -0.059 0.000 2.876 311 T HA 0.821 5.171 4.350 -0.000 0.000 0.289 311 T C -0.230 174.428 174.700 -0.070 0.000 1.014 311 T CA -0.488 61.592 62.100 -0.033 0.000 0.986 311 T CB 2.709 71.578 68.868 0.002 0.000 1.021 311 T HN 0.298 nan 8.240 nan 0.000 0.458 312 A N 1.840 124.636 122.820 -0.039 0.000 2.386 312 A HA 0.840 5.159 4.320 -0.000 0.000 0.311 312 A C -0.564 177.059 177.584 0.064 0.000 1.068 312 A CA -0.807 51.199 52.037 -0.052 0.000 0.743 312 A CB 1.608 20.521 19.000 -0.144 0.000 1.258 312 A HN 0.977 nan 8.150 nan 0.000 0.429 313 E N 1.328 121.613 120.200 0.142 0.000 2.340 313 E HA 0.703 5.053 4.350 -0.000 0.000 0.273 313 E C -1.792 174.983 176.600 0.291 0.000 0.891 313 E CA -0.553 55.966 56.400 0.198 0.000 0.757 313 E CB 1.703 31.570 29.700 0.279 0.000 1.231 313 E HN 0.597 nan 8.360 nan 0.000 0.439 314 I N 3.300 123.922 120.570 0.087 0.000 2.512 314 I HA 0.495 4.665 4.170 -0.000 0.000 0.287 314 I C -0.407 175.559 176.117 -0.252 0.000 1.069 314 I CA -0.659 60.702 61.300 0.101 0.000 1.056 314 I CB 1.865 39.937 38.000 0.119 0.000 1.229 314 I HN 0.358 nan 8.210 nan 0.000 0.429 315 R N 5.046 125.288 120.500 -0.431 0.000 2.837 315 R HA 0.682 5.022 4.340 -0.000 0.000 0.271 315 R C -1.080 175.125 176.300 -0.158 0.000 0.993 315 R CA -1.111 54.601 56.100 -0.646 0.000 0.931 315 R CB 2.568 31.992 30.300 -1.460 0.000 1.206 315 R HN 0.440 nan 8.270 nan 0.000 0.474 316 L N 2.039 123.199 121.223 -0.106 0.000 2.467 316 L HA 0.233 4.572 4.340 -0.000 0.000 0.270 316 L C 0.577 177.504 176.870 0.096 0.000 1.205 316 L CA 0.064 54.921 54.840 0.029 0.000 0.828 316 L CB 0.279 42.328 42.059 -0.016 0.000 1.101 316 L HN 0.409 nan 8.230 nan 0.000 0.479 317 M N 1.400 121.064 119.600 0.106 0.000 2.238 317 M HA -0.032 4.448 4.480 -0.000 0.000 0.350 317 M C 0.943 177.250 176.300 0.011 0.000 1.321 317 M CA 0.006 55.321 55.300 0.024 0.000 1.097 317 M CB 0.774 33.339 32.600 -0.059 0.000 1.713 317 M HN 0.760 nan 8.290 nan 0.000 0.455 318 c N 2.309 120.905 118.600 -0.007 0.000 2.468 318 c HA -0.016 4.554 4.570 -0.000 0.000 0.277 318 c C 1.639 175.731 174.090 0.002 0.000 1.400 318 c CA 0.552 56.886 56.329 0.007 0.000 1.770 318 c CB -0.488 42.024 42.510 0.003 0.000 1.905 318 c HN 0.881 nan 8.230 nan 0.000 0.519 319 T N 1.052 115.564 114.554 -0.069 0.000 2.928 319 T HA 0.005 4.354 4.350 -0.000 0.000 0.305 319 T C 1.260 175.867 174.700 -0.154 0.000 1.035 319 T CA 0.554 62.574 62.100 -0.133 0.000 1.145 319 T CB 0.521 69.249 68.868 -0.234 0.000 0.963 319 T HN 0.762 nan 8.240 nan 0.000 0.545 320 E N 2.227 122.277 120.200 -0.250 0.000 2.333 320 E HA -0.063 4.287 4.350 -0.000 0.000 0.198 320 E C 0.415 176.409 176.600 -1.010 0.000 1.007 320 E CA 0.670 56.747 56.400 -0.538 0.000 0.845 320 E CB -0.209 29.305 29.700 -0.310 0.000 0.766 320 E HN 0.499 nan 8.360 nan 0.000 0.507 321 T N 2.361 116.551 114.554 -0.606 0.000 3.688 321 T HA 0.110 4.459 4.350 -0.000 0.000 0.307 321 T C -0.956 173.461 174.700 -0.472 0.000 1.382 321 T CA -0.451 61.318 62.100 -0.553 0.000 1.136 321 T CB -0.595 68.009 68.868 -0.439 0.000 1.207 321 T HN 0.081 nan 8.240 nan 0.000 0.854 322 Y N 1.457 121.633 120.300 -0.206 0.000 2.526 322 Y HA 0.150 4.700 4.550 -0.000 0.000 0.330 322 Y C 1.211 176.990 175.900 -0.201 0.000 1.156 322 Y CA -1.261 56.732 58.100 -0.178 0.000 1.419 322 Y CB 0.127 38.515 38.460 -0.120 0.000 1.250 322 Y HN 0.443 nan 8.280 nan 0.000 0.540 323 L N 1.240 122.439 121.223 -0.040 0.000 2.616 323 L HA 0.131 4.471 4.340 -0.000 0.000 0.229 323 L C 0.593 177.441 176.870 -0.037 0.000 1.110 323 L CA 0.109 54.889 54.840 -0.100 0.000 0.884 323 L CB 0.107 42.095 42.059 -0.118 0.000 1.115 323 L HN 0.576 nan 8.230 nan 0.000 0.481 324 D N 0.006 120.398 120.400 -0.014 0.000 2.383 324 D HA 0.270 4.910 4.640 -0.000 0.000 0.248 324 D C -0.463 175.823 176.300 -0.024 0.000 1.170 324 D CA 0.278 54.266 54.000 -0.020 0.000 0.977 324 D CB 1.404 42.186 40.800 -0.030 0.000 1.120 324 D HN -0.192 nan 8.370 nan 0.000 0.481 325 T N 2.191 116.723 114.554 -0.036 0.000 3.031 325 T HA 0.427 4.777 4.350 -0.000 0.000 0.305 325 T C -2.541 172.120 174.700 -0.065 0.000 0.985 325 T CA -1.055 61.016 62.100 -0.048 0.000 1.008 325 T CB 2.024 70.858 68.868 -0.057 0.000 1.005 325 T HN 0.196 nan 8.240 nan 0.000 0.444 326 P HA 0.612 nan 4.420 nan 0.000 0.277 326 P C -0.592 176.682 177.300 -0.044 0.000 1.271 326 P CA -0.760 62.307 63.100 -0.055 0.000 0.795 326 P CB 0.697 32.362 31.700 -0.059 0.000 1.101 327 R N -1.450 119.034 120.500 -0.026 0.000 2.692 327 R HA 0.634 4.973 4.340 -0.000 0.000 0.269 327 R C -3.083 173.226 176.300 0.015 0.000 1.030 327 R CA -1.815 54.282 56.100 -0.005 0.000 0.882 327 R CB 0.578 30.907 30.300 0.048 0.000 1.250 327 R HN 0.177 nan 8.270 nan 0.000 0.465 328 P HA 0.195 nan 4.420 nan 0.000 0.297 328 P C -0.915 176.456 177.300 0.118 0.000 1.307 328 P CA -0.385 62.746 63.100 0.052 0.000 0.773 328 P CB 0.321 32.037 31.700 0.026 0.000 1.265 329 D N 0.061 120.513 120.400 0.086 0.000 2.449 329 D HA 0.016 4.656 4.640 -0.000 0.000 0.236 329 D C -0.070 176.292 176.300 0.104 0.000 1.149 329 D CA 0.636 54.676 54.000 0.067 0.000 0.878 329 D CB -0.216 40.604 40.800 0.034 0.000 1.198 329 D HN 0.235 nan 8.370 nan 0.000 0.446 330 D N 0.119 120.482 120.400 -0.061 0.000 2.493 330 D HA 0.269 4.909 4.640 -0.000 0.000 0.240 330 D C 1.589 177.783 176.300 -0.176 0.000 1.142 330 D CA 0.941 54.753 54.000 -0.313 0.000 0.872 330 D CB 0.511 41.140 40.800 -0.285 0.000 1.173 330 D HN 0.597 nan 8.370 nan 0.000 0.467 331 G N 1.831 110.485 108.800 -0.243 0.000 2.184 331 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.264 331 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.264 331 G C 1.184 176.161 174.900 0.128 0.000 0.975 331 G CA 0.964 46.059 45.100 -0.008 0.000 0.642 331 G HN 0.608 nan 8.290 nan 0.000 0.536 332 S N -0.570 115.254 115.700 0.208 0.000 2.461 332 S HA 0.298 4.768 4.470 -0.000 0.000 0.228 332 S C 1.199 175.854 174.600 0.091 0.000 1.005 332 S CA 0.470 58.745 58.200 0.124 0.000 0.942 332 S CB -0.011 63.247 63.200 0.097 0.000 0.776 332 S HN 0.591 nan 8.310 nan 0.000 0.514 333 I N 4.380 125.020 120.570 0.117 0.000 2.471 333 I HA 0.084 4.254 4.170 -0.000 0.000 0.294 333 I C 0.984 177.115 176.117 0.022 0.000 1.123 333 I CA -0.261 61.030 61.300 -0.016 0.000 1.336 333 I CB -0.130 37.750 38.000 -0.201 0.000 1.430 333 I HN 0.272 nan 8.210 nan 0.000 0.533 334 T N 2.833 117.389 114.554 0.003 0.000 2.788 334 T HA 0.654 5.004 4.350 -0.000 0.000 0.287 334 T C 0.652 175.348 174.700 -0.007 0.000 1.007 334 T CA 0.049 62.151 62.100 0.004 0.000 1.005 334 T CB 1.543 70.410 68.868 -0.001 0.000 1.012 334 T HN 1.026 nan 8.240 nan 0.000 0.530 335 G N 1.375 110.172 108.800 -0.006 0.000 2.725 335 G HA2 0.014 3.974 3.960 -0.000 0.000 0.220 335 G HA3 0.014 3.974 3.960 -0.000 0.000 0.220 335 G C -2.498 172.397 174.900 -0.009 0.000 1.357 335 G CA -0.479 44.614 45.100 -0.011 0.000 0.866 335 G HN 0.912 nan 8.290 nan 0.000 0.548 336 P HA 0.338 nan 4.420 nan 0.000 0.286 336 P C 1.375 178.666 177.300 -0.015 0.000 1.293 336 P CA 0.136 63.228 63.100 -0.013 0.000 0.770 336 P CB 0.198 31.886 31.700 -0.020 0.000 1.206 337 c N -0.269 118.323 118.600 -0.012 0.000 2.403 337 c HA -0.109 4.461 4.570 -0.000 0.000 0.279 337 c C 2.236 176.306 174.090 -0.033 0.000 1.269 337 c CA 1.202 57.524 56.329 -0.011 0.000 1.774 337 c CB -1.462 41.045 42.510 -0.004 0.000 1.993 337 c HN 0.638 nan 8.230 nan 0.000 0.496 338 E N 0.661 120.830 120.200 -0.051 0.000 2.489 338 E HA 0.046 4.395 4.350 -0.000 0.000 0.193 338 E C 0.499 177.058 176.600 -0.068 0.000 1.057 338 E CA 0.193 56.549 56.400 -0.072 0.000 0.866 338 E CB -0.269 29.379 29.700 -0.086 0.000 0.916 338 E HN 0.406 nan 8.360 nan 0.000 0.500 339 S N 2.373 118.038 115.700 -0.058 0.000 2.533 339 S HA 0.059 4.529 4.470 -0.000 0.000 0.282 339 S C 0.982 175.533 174.600 -0.082 0.000 1.304 339 S CA -0.495 57.668 58.200 -0.062 0.000 1.063 339 S CB 0.693 63.862 63.200 -0.052 0.000 0.881 339 S HN 0.189 nan 8.310 nan 0.000 0.493 340 N N 3.196 121.851 118.700 -0.076 0.000 2.013 340 N HA -0.083 4.657 4.740 -0.000 0.000 0.195 340 N C 1.789 177.222 175.510 -0.129 0.000 1.051 340 N CA 1.728 54.733 53.050 -0.075 0.000 0.851 340 N CB -0.601 37.870 38.487 -0.028 0.000 1.044 340 N HN 0.692 nan 8.380 nan 0.000 0.422 341 G N -0.303 108.418 108.800 -0.132 0.000 2.760 341 G HA2 0.051 4.011 3.960 -0.000 0.000 0.214 341 G HA3 0.051 4.011 3.960 -0.000 0.000 0.214 341 G C -0.002 174.853 174.900 -0.074 0.000 1.212 341 G CA 0.050 45.102 45.100 -0.080 0.000 0.858 341 G HN 0.156 nan 8.290 nan 0.000 0.611 342 D N -0.540 119.802 120.400 -0.098 0.000 2.326 342 D HA 0.442 5.082 4.640 -0.000 0.000 0.248 342 D C 0.021 176.266 176.300 -0.091 0.000 1.001 342 D CA -0.528 53.427 54.000 -0.076 0.000 0.961 342 D CB 1.657 42.423 40.800 -0.057 0.000 1.183 342 D HN 0.145 nan 8.370 nan 0.000 0.502 343 K N -0.275 120.082 120.400 -0.071 0.000 3.160 343 K HA -0.177 4.143 4.320 -0.000 0.000 0.280 343 K C 1.080 177.627 176.600 -0.088 0.000 1.154 343 K CA 0.556 56.800 56.287 -0.072 0.000 0.822 343 K CB -1.184 31.279 32.500 -0.061 0.000 1.239 343 K HN 0.626 nan 8.250 nan 0.000 0.489 344 G N 0.462 109.205 108.800 -0.094 0.000 2.494 344 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.216 344 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.216 344 G C 0.355 175.170 174.900 -0.142 0.000 1.140 344 G CA 0.476 45.511 45.100 -0.108 0.000 0.801 344 G HN 0.451 nan 8.290 nan 0.000 0.536 345 S N 0.212 115.825 115.700 -0.146 0.000 2.562 345 S HA 0.519 4.989 4.470 -0.000 0.000 0.281 345 S C 0.667 175.184 174.600 -0.139 0.000 1.333 345 S CA 0.083 58.179 58.200 -0.174 0.000 1.052 345 S CB 1.027 64.138 63.200 -0.149 0.000 0.884 345 S HN 1.699 nan 8.310 nan 0.000 0.506 346 G N 1.163 109.874 108.800 -0.148 0.000 2.795 346 G HA2 0.446 4.406 3.960 -0.000 0.000 0.664 346 G HA3 0.446 4.406 3.960 -0.000 0.000 0.664 346 G C -0.105 174.732 174.900 -0.105 0.000 1.381 346 G CA -0.315 44.720 45.100 -0.108 0.000 0.853 346 G HN 2.217 nan 8.290 nan 0.000 0.545 347 G N -1.480 107.278 108.800 -0.071 0.000 2.342 347 G HA2 0.701 4.661 3.960 -0.000 0.000 0.297 347 G HA3 0.701 4.661 3.960 -0.000 0.000 0.297 347 G C -1.415 173.469 174.900 -0.027 0.000 1.313 347 G CA 0.208 45.273 45.100 -0.057 0.000 0.830 347 G HN 1.896 nan 8.290 nan 0.000 0.506 348 I N -0.552 119.998 120.570 -0.034 0.000 2.908 348 I HA 0.519 4.688 4.170 -0.000 0.000 0.300 348 I C -0.601 175.423 176.117 -0.155 0.000 1.385 348 I CA -0.993 60.286 61.300 -0.034 0.000 1.004 348 I CB 2.258 40.264 38.000 0.010 0.000 1.309 348 I HN 0.625 nan 8.210 nan 0.000 0.449 349 K N 3.515 123.633 120.400 -0.470 0.000 2.350 349 K HA 0.551 4.871 4.320 -0.000 0.000 0.279 349 K C -0.421 176.111 176.600 -0.114 0.000 1.027 349 K CA -0.021 56.011 56.287 -0.426 0.000 0.969 349 K CB 1.007 32.986 32.500 -0.867 0.000 0.954 349 K HN 0.762 nan 8.250 nan 0.000 0.474 350 G N 1.558 110.364 108.800 0.010 0.000 2.519 350 G HA2 0.543 4.503 3.960 -0.000 0.000 0.307 350 G HA3 0.543 4.503 3.960 -0.000 0.000 0.307 350 G C -0.699 174.313 174.900 0.188 0.000 1.266 350 G CA -1.002 44.162 45.100 0.106 0.000 0.970 350 G HN 0.719 nan 8.290 nan 0.000 0.481 351 G N -1.128 107.797 108.800 0.208 0.000 2.476 351 G HA2 0.571 4.531 3.960 -0.000 0.000 0.269 351 G HA3 0.571 4.531 3.960 -0.000 0.000 0.269 351 G C -1.352 173.736 174.900 0.313 0.000 1.195 351 G CA -0.263 44.975 45.100 0.230 0.000 0.843 351 G HN 0.875 nan 8.290 nan 0.000 0.545 352 F N 1.389 121.368 119.950 0.049 0.000 2.652 352 F HA 0.564 5.091 4.527 -0.000 0.000 0.320 352 F C -1.540 174.201 175.800 -0.099 0.000 1.115 352 F CA -1.124 56.818 58.000 -0.097 0.000 1.053 352 F CB 1.362 40.326 39.000 -0.059 0.000 1.297 352 F HN 0.626 nan 8.300 nan 0.000 0.471 353 V N 5.331 124.819 119.914 -0.711 0.000 3.048 353 V HA 0.489 4.609 4.120 -0.000 0.000 0.303 353 V C -1.566 174.166 176.094 -0.604 0.000 1.214 353 V CA -0.528 61.416 62.300 -0.593 0.000 0.984 353 V CB 2.395 34.130 31.823 -0.147 0.000 1.054 353 V HN 0.886 nan 8.190 nan 0.000 0.430 354 H N 3.333 122.225 119.070 -0.298 0.000 2.467 354 H HA 0.564 5.120 4.556 -0.000 0.000 0.331 354 H C -0.237 175.133 175.328 0.070 0.000 1.120 354 H CA -0.100 55.886 56.048 -0.102 0.000 1.270 354 H CB 1.383 31.092 29.762 -0.089 0.000 1.466 354 H HN 0.631 nan 8.280 nan 0.000 0.504 355 Q N 3.421 123.408 119.800 0.311 0.000 2.381 355 Q HA 0.301 4.641 4.340 -0.000 0.000 0.263 355 Q C -0.906 175.243 176.000 0.248 0.000 1.030 355 Q CA -0.914 55.065 55.803 0.293 0.000 0.772 355 Q CB 0.533 29.563 28.738 0.486 0.000 1.232 355 Q HN 0.627 nan 8.270 nan 0.000 0.476 356 R N 3.888 124.493 120.500 0.176 0.000 2.202 356 R HA 0.395 4.735 4.340 -0.000 0.000 0.334 356 R C -0.441 175.930 176.300 0.117 0.000 1.036 356 R CA 0.113 56.294 56.100 0.135 0.000 0.878 356 R CB 0.904 31.257 30.300 0.087 0.000 1.067 356 R HN 0.545 nan 8.270 nan 0.000 0.457 357 M N 0.766 120.441 119.600 0.126 0.000 2.762 357 M HA 0.380 4.859 4.480 -0.000 0.000 0.306 357 M C 1.258 177.599 176.300 0.068 0.000 1.223 357 M CA -0.477 54.882 55.300 0.099 0.000 0.896 357 M CB 1.545 34.216 32.600 0.118 0.000 1.684 357 M HN 0.656 nan 8.290 nan 0.000 0.491 358 A N 0.047 122.896 122.820 0.049 0.000 1.852 358 A HA -0.129 4.190 4.320 -0.000 0.000 0.217 358 A C 1.682 179.286 177.584 0.033 0.000 1.215 358 A CA 2.306 54.362 52.037 0.032 0.000 0.641 358 A CB -0.776 18.238 19.000 0.022 0.000 0.838 358 A HN 0.720 nan 8.150 nan 0.000 0.450 359 S N -1.029 114.693 115.700 0.035 0.000 2.651 359 S HA 0.348 4.818 4.470 -0.000 0.000 0.246 359 S C -0.026 174.603 174.600 0.048 0.000 1.039 359 S CA -0.309 57.911 58.200 0.033 0.000 1.013 359 S CB -0.054 63.159 63.200 0.021 0.000 0.861 359 S HN 0.533 nan 8.310 nan 0.000 0.485 360 K N 1.148 121.591 120.400 0.073 0.000 2.551 360 K HA 0.558 4.878 4.320 -0.000 0.000 0.269 360 K C -2.011 174.680 176.600 0.152 0.000 0.949 360 K CA -0.638 55.715 56.287 0.110 0.000 0.849 360 K CB 1.941 34.506 32.500 0.109 0.000 1.411 360 K HN 0.191 nan 8.250 nan 0.000 0.432 361 I N 1.362 122.042 120.570 0.183 0.000 2.545 361 I HA 0.534 4.704 4.170 -0.000 0.000 0.292 361 I C -0.614 175.626 176.117 0.206 0.000 1.040 361 I CA -0.516 60.902 61.300 0.197 0.000 1.068 361 I CB 1.922 40.017 38.000 0.159 0.000 1.251 361 I HN 0.715 nan 8.210 nan 0.000 0.424 362 G N 6.504 115.404 108.800 0.165 0.000 2.372 362 G HA2 0.577 4.537 3.960 -0.000 0.000 0.323 362 G HA3 0.577 4.537 3.960 -0.000 0.000 0.323 362 G C -1.004 173.803 174.900 -0.156 0.000 1.152 362 G CA -0.647 44.328 45.100 -0.209 0.000 0.906 362 G HN 0.603 nan 8.290 nan 0.000 0.460 363 R N 1.337 121.622 120.500 -0.358 0.000 2.360 363 R HA 0.306 4.646 4.340 -0.000 0.000 0.318 363 R C -1.384 174.608 176.300 -0.512 0.000 0.950 363 R CA -0.534 55.418 56.100 -0.246 0.000 0.837 363 R CB 1.843 32.187 30.300 0.073 0.000 1.165 363 R HN 0.543 nan 8.270 nan 0.000 0.458 364 W N 3.019 124.023 121.300 -0.494 0.000 2.478 364 W HA 0.403 5.063 4.660 -0.000 0.000 0.318 364 W C -0.500 175.758 176.519 -0.435 0.000 1.062 364 W CA -0.237 56.861 57.345 -0.411 0.000 1.210 364 W CB 0.975 30.157 29.460 -0.464 0.000 1.325 364 W HN 0.428 nan 8.180 nan 0.000 0.496 365 Y N 1.156 121.582 120.300 0.211 0.000 2.545 365 Y HA 0.567 5.117 4.550 -0.000 0.000 0.348 365 Y C 0.214 176.221 175.900 0.179 0.000 1.002 365 Y CA -1.276 56.947 58.100 0.204 0.000 1.039 365 Y CB 2.260 40.786 38.460 0.111 0.000 1.271 365 Y HN 0.307 nan 8.280 nan 0.000 0.467 366 S N 2.231 118.116 115.700 0.309 0.000 2.536 366 S HA 0.942 5.412 4.470 -0.000 0.000 0.298 366 S C -0.970 173.732 174.600 0.170 0.000 1.083 366 S CA -1.042 57.300 58.200 0.237 0.000 0.995 366 S CB 2.419 65.701 63.200 0.138 0.000 1.058 366 S HN 0.837 nan 8.310 nan 0.000 0.488 367 R N -0.457 120.136 120.500 0.154 0.000 2.774 367 R HA 0.657 4.996 4.340 -0.000 0.000 0.272 367 R C -0.614 175.745 176.300 0.097 0.000 1.000 367 R CA -0.814 55.328 56.100 0.071 0.000 0.906 367 R CB 0.559 30.825 30.300 -0.056 0.000 1.227 367 R HN 0.710 nan 8.270 nan 0.000 0.468 368 T N -0.448 114.141 114.554 0.058 0.000 2.906 368 T HA 0.041 4.391 4.350 -0.000 0.000 0.320 368 T C 1.027 175.763 174.700 0.059 0.000 1.088 368 T CA -0.406 61.724 62.100 0.051 0.000 1.120 368 T CB 0.521 69.396 68.868 0.011 0.000 1.000 368 T HN 0.590 nan 8.240 nan 0.000 0.550 369 M N 1.715 121.349 119.600 0.057 0.000 2.200 369 M HA 0.163 4.642 4.480 -0.000 0.000 0.265 369 M C 1.478 177.799 176.300 0.036 0.000 1.066 369 M CA 0.864 56.199 55.300 0.057 0.000 1.127 369 M CB -0.596 32.031 32.600 0.045 0.000 1.379 369 M HN 0.794 nan 8.290 nan 0.000 0.420 370 S N 0.038 115.750 115.700 0.020 0.000 2.548 370 S HA 0.113 4.583 4.470 -0.000 0.000 0.277 370 S C 1.086 175.684 174.600 -0.004 0.000 1.315 370 S CA -0.277 57.926 58.200 0.005 0.000 1.050 370 S CB 0.610 63.806 63.200 -0.007 0.000 0.918 370 S HN 0.317 nan 8.310 nan 0.000 0.497 371 K N 2.432 122.830 120.400 -0.003 0.000 2.217 371 K HA -0.026 4.294 4.320 -0.000 0.000 0.202 371 K C 1.229 177.816 176.600 -0.022 0.000 1.051 371 K CA 1.449 57.732 56.287 -0.006 0.000 0.952 371 K CB 0.033 32.535 32.500 0.002 0.000 0.736 371 K HN 0.623 nan 8.250 nan 0.000 0.453 372 T N -0.204 114.333 114.554 -0.030 0.000 2.987 372 T HA 0.114 4.464 4.350 -0.000 0.000 0.248 372 T C 0.287 174.947 174.700 -0.067 0.000 0.997 372 T CA 0.139 62.213 62.100 -0.044 0.000 1.013 372 T CB 0.541 69.389 68.868 -0.034 0.000 1.077 372 T HN 0.008 nan 8.240 nan 0.000 0.483 373 K N 1.234 121.595 120.400 -0.065 0.000 2.185 373 K HA 0.528 4.848 4.320 -0.000 0.000 0.240 373 K C -0.274 176.244 176.600 -0.135 0.000 0.983 373 K CA -0.828 55.401 56.287 -0.098 0.000 0.873 373 K CB 1.514 33.980 32.500 -0.057 0.000 1.118 373 K HN -0.099 nan 8.250 nan 0.000 0.441 374 R N 1.411 121.763 120.500 -0.247 0.000 4.680 374 R HA 0.194 4.534 4.340 -0.000 0.000 0.222 374 R C -0.515 175.719 176.300 -0.110 0.000 1.803 374 R CA -0.023 55.872 56.100 -0.341 0.000 1.560 374 R CB -0.054 29.640 30.300 -1.010 0.000 1.412 374 R HN 0.210 nan 8.270 nan 0.000 0.815 375 M N 0.780 120.368 119.600 -0.019 0.000 2.142 375 M HA 0.353 4.833 4.480 -0.000 0.000 0.299 375 M C 0.393 176.723 176.300 0.049 0.000 0.960 375 M CA -0.504 54.823 55.300 0.046 0.000 0.920 375 M CB 1.423 34.041 32.600 0.030 0.000 1.541 375 M HN 0.558 nan 8.290 nan 0.000 0.429 376 G N 3.221 112.064 108.800 0.072 0.000 2.795 376 G HA2 0.034 3.994 3.960 -0.000 0.000 0.664 376 G HA3 0.034 3.994 3.960 -0.000 0.000 0.664 376 G C -1.235 173.703 174.900 0.064 0.000 1.381 376 G CA -0.706 44.428 45.100 0.057 0.000 0.853 376 G HN 0.701 nan 8.290 nan 0.000 0.545 377 M N 0.288 119.916 119.600 0.046 0.000 2.296 377 M HA 0.616 5.096 4.480 -0.000 0.000 0.268 377 M C -0.040 176.268 176.300 0.014 0.000 1.048 377 M CA 0.493 55.821 55.300 0.048 0.000 0.966 377 M CB 1.474 34.097 32.600 0.039 0.000 1.912 377 M HN 1.920 nan 8.290 nan 0.000 0.484 378 G N 2.846 111.696 108.800 0.084 0.000 2.417 378 G HA2 0.701 4.660 3.960 -0.000 0.000 0.334 378 G HA3 0.701 4.660 3.960 -0.000 0.000 0.334 378 G C -2.045 172.892 174.900 0.061 0.000 1.150 378 G CA -0.635 44.487 45.100 0.037 0.000 0.923 378 G HN 0.744 nan 8.290 nan 0.000 0.485 379 L N 0.616 121.750 121.223 -0.148 0.000 2.317 379 L HA 0.754 5.094 4.340 -0.000 0.000 0.281 379 L C -1.387 175.367 176.870 -0.194 0.000 1.024 379 L CA -0.917 53.886 54.840 -0.061 0.000 0.810 379 L CB 1.127 43.119 42.059 -0.112 0.000 1.240 379 L HN 0.531 nan 8.230 nan 0.000 0.427 380 Y N 3.249 123.574 120.300 0.041 0.000 2.545 380 Y HA 0.771 5.321 4.550 -0.000 0.000 0.348 380 Y C -0.610 175.229 175.900 -0.102 0.000 1.002 380 Y CA -0.796 57.302 58.100 -0.004 0.000 1.039 380 Y CB 2.372 40.843 38.460 0.018 0.000 1.271 380 Y HN 0.430 nan 8.280 nan 0.000 0.467 381 V N 2.210 122.038 119.914 -0.142 0.000 3.049 381 V HA 0.683 4.803 4.120 -0.000 0.000 0.309 381 V C -1.706 174.173 176.094 -0.359 0.000 1.148 381 V CA -0.770 61.182 62.300 -0.581 0.000 0.990 381 V CB 2.345 33.279 31.823 -1.483 0.000 1.039 381 V HN 0.800 nan 8.190 nan 0.000 0.430 382 K N 3.343 123.482 120.400 -0.434 0.000 2.542 382 K HA 0.560 4.879 4.320 -0.000 0.000 0.259 382 K C -2.251 174.126 176.600 -0.372 0.000 0.932 382 K CA -0.588 55.544 56.287 -0.259 0.000 0.820 382 K CB 2.035 34.490 32.500 -0.074 0.000 1.345 382 K HN 0.657 nan 8.250 nan 0.000 0.432 383 Y N 2.781 123.033 120.300 -0.080 0.000 2.342 383 Y HA 0.228 4.778 4.550 -0.000 0.000 0.334 383 Y C 0.426 176.319 175.900 -0.011 0.000 1.067 383 Y CA 0.159 58.235 58.100 -0.041 0.000 1.128 383 Y CB 1.103 39.541 38.460 -0.037 0.000 1.200 383 Y HN 0.787 nan 8.280 nan 0.000 0.464 384 D N 0.501 120.982 120.400 0.136 0.000 3.582 384 D HA -0.159 4.480 4.640 -0.000 0.000 0.258 384 D C 0.616 176.936 176.300 0.033 0.000 1.930 384 D CA 1.698 55.748 54.000 0.083 0.000 1.144 384 D CB -0.814 40.036 40.800 0.083 0.000 0.858 384 D HN 1.098 nan 8.370 nan 0.000 1.045 385 G N 0.052 108.860 108.800 0.013 0.000 2.741 385 G HA2 0.078 4.037 3.960 -0.000 0.000 0.222 385 G HA3 0.078 4.037 3.960 -0.000 0.000 0.222 385 G C -1.010 173.856 174.900 -0.056 0.000 1.364 385 G CA 0.589 45.678 45.100 -0.017 0.000 0.866 385 G HN 0.911 nan 8.290 nan 0.000 0.555 386 D N -0.008 120.342 120.400 -0.083 0.000 2.473 386 D HA 0.592 5.232 4.640 -0.000 0.000 0.253 386 D C -1.294 174.888 176.300 -0.198 0.000 1.233 386 D CA -2.068 51.843 54.000 -0.148 0.000 0.908 386 D CB 1.717 42.467 40.800 -0.083 0.000 1.170 386 D HN 0.006 nan 8.370 nan 0.000 0.558 387 P HA -0.072 nan 4.420 nan 0.000 0.220 387 P C 0.964 178.134 177.300 -0.217 0.000 1.144 387 P CA 0.754 63.573 63.100 -0.469 0.000 0.800 387 P CB 0.130 31.156 31.700 -1.124 0.000 0.772 388 W N -0.302 120.837 121.300 -0.269 0.000 2.518 388 W HA 0.045 4.705 4.660 -0.000 0.000 0.273 388 W C 1.938 178.395 176.519 -0.103 0.000 1.247 388 W CA 1.868 59.122 57.345 -0.152 0.000 1.288 388 W CB -1.698 27.714 29.460 -0.080 0.000 1.107 388 W HN 0.133 nan 8.180 nan 0.000 0.586 389 T N -4.625 109.999 114.554 0.117 0.000 2.959 389 T HA 0.107 4.457 4.350 -0.000 0.000 0.254 389 T C -0.118 174.587 174.700 0.008 0.000 1.003 389 T CA -0.177 61.958 62.100 0.059 0.000 0.950 389 T CB -0.005 68.900 68.868 0.063 0.000 1.090 389 T HN -0.319 nan 8.240 nan 0.000 0.503 390 D N 2.939 123.325 120.400 -0.024 0.000 2.344 390 D HA 0.304 4.944 4.640 -0.000 0.000 0.253 390 D C 1.201 177.470 176.300 -0.052 0.000 1.255 390 D CA 0.088 54.062 54.000 -0.044 0.000 0.894 390 D CB 1.237 41.996 40.800 -0.069 0.000 1.067 390 D HN 0.397 nan 8.370 nan 0.000 0.492 391 S N 1.329 117.007 115.700 -0.037 0.000 2.528 391 S HA -0.028 4.442 4.470 -0.000 0.000 0.219 391 S C 0.635 175.197 174.600 -0.064 0.000 0.985 391 S CA -0.359 57.817 58.200 -0.040 0.000 0.914 391 S CB 0.174 63.362 63.200 -0.019 0.000 0.776 391 S HN 0.272 nan 8.310 nan 0.000 0.526 392 D N 2.906 123.270 120.400 -0.061 0.000 2.419 392 D HA 0.445 5.085 4.640 -0.000 0.000 0.236 392 D C 0.411 176.656 176.300 -0.092 0.000 1.165 392 D CA 0.474 54.436 54.000 -0.063 0.000 0.882 392 D CB 0.676 41.449 40.800 -0.045 0.000 1.201 392 D HN 0.460 nan 8.370 nan 0.000 0.443 393 A N 1.820 124.588 122.820 -0.088 0.000 2.498 393 A HA 0.158 4.478 4.320 -0.000 0.000 0.239 393 A C -0.103 177.434 177.584 -0.078 0.000 1.068 393 A CA -0.362 51.612 52.037 -0.104 0.000 0.766 393 A CB 0.098 19.053 19.000 -0.075 0.000 1.003 393 A HN 0.404 nan 8.150 nan 0.000 0.497 394 L N 1.646 122.812 121.223 -0.095 0.000 2.416 394 L HA 0.361 4.701 4.340 -0.000 0.000 0.272 394 L C 1.052 177.982 176.870 0.100 0.000 1.161 394 L CA 0.592 55.421 54.840 -0.018 0.000 0.845 394 L CB 0.427 42.454 42.059 -0.054 0.000 1.119 394 L HN 0.774 nan 8.230 nan 0.000 0.464 395 A N 4.191 127.043 122.820 0.053 0.000 2.454 395 A HA 0.343 4.662 4.320 -0.000 0.000 0.260 395 A C -0.275 177.300 177.584 -0.015 0.000 1.106 395 A CA -0.433 51.619 52.037 0.025 0.000 0.780 395 A CB -0.106 18.887 19.000 -0.013 0.000 1.044 395 A HN 0.625 nan 8.150 nan 0.000 0.498 396 L N 3.579 124.736 121.223 -0.111 0.000 2.361 396 L HA 0.291 4.630 4.340 -0.000 0.000 0.278 396 L C 1.244 177.953 176.870 -0.268 0.000 1.113 396 L CA 1.018 55.586 54.840 -0.453 0.000 0.849 396 L CB 0.952 42.801 42.059 -0.351 0.000 1.155 396 L HN 0.733 nan 8.230 nan 0.000 0.452 397 S N 3.004 118.535 115.700 -0.282 0.000 2.452 397 S HA 0.538 5.008 4.470 -0.000 0.000 0.225 397 S C 0.538 175.113 174.600 -0.040 0.000 1.057 397 S CA 0.432 58.593 58.200 -0.064 0.000 0.949 397 S CB -0.073 63.182 63.200 0.090 0.000 0.836 397 S HN 0.995 nan 8.310 nan 0.000 0.518 398 G N -0.130 108.601 108.800 -0.114 0.000 2.523 398 G HA2 0.460 4.420 3.960 -0.000 0.000 0.291 398 G HA3 0.460 4.420 3.960 -0.000 0.000 0.291 398 G C -1.855 172.971 174.900 -0.124 0.000 1.450 398 G CA -0.526 44.530 45.100 -0.073 0.000 0.790 398 G HN 0.196 nan 8.290 nan 0.000 0.496 399 V N 1.991 121.863 119.914 -0.070 0.000 2.368 399 V HA 0.215 4.335 4.120 -0.000 0.000 0.266 399 V C 1.227 177.264 176.094 -0.095 0.000 1.045 399 V CA 0.004 62.261 62.300 -0.071 0.000 0.899 399 V CB 0.805 32.614 31.823 -0.022 0.000 1.006 399 V HN 0.780 nan 8.190 nan 0.000 0.470 400 M N 3.961 123.428 119.600 -0.222 0.000 2.287 400 M HA 0.101 4.581 4.480 -0.000 0.000 0.266 400 M C 0.133 176.363 176.300 -0.117 0.000 1.079 400 M CA 1.276 56.306 55.300 -0.449 0.000 1.146 400 M CB 0.312 32.337 32.600 -0.958 0.000 1.374 400 M HN 0.441 nan 8.290 nan 0.000 0.435 401 V N 0.666 120.544 119.914 -0.060 0.000 2.577 401 V HA 0.276 4.395 4.120 -0.000 0.000 0.303 401 V C -0.018 176.083 176.094 0.011 0.000 1.042 401 V CA -1.104 61.203 62.300 0.010 0.000 0.872 401 V CB 1.669 33.516 31.823 0.041 0.000 0.998 401 V HN 0.354 nan 8.190 nan 0.000 0.423 402 S N 4.252 119.958 115.700 0.011 0.000 2.614 402 S HA 0.313 4.783 4.470 -0.000 0.000 0.265 402 S C 1.076 175.690 174.600 0.023 0.000 1.303 402 S CA -0.305 57.902 58.200 0.012 0.000 1.000 402 S CB 0.840 64.042 63.200 0.003 0.000 0.935 402 S HN 0.684 nan 8.310 nan 0.000 0.551 403 M N 0.689 120.302 119.600 0.023 0.000 2.260 403 M HA -0.072 4.408 4.480 -0.000 0.000 0.261 403 M C 1.389 177.707 176.300 0.029 0.000 1.066 403 M CA 1.701 57.017 55.300 0.026 0.000 1.082 403 M CB -0.890 31.723 32.600 0.022 0.000 1.388 403 M HN 0.838 nan 8.290 nan 0.000 0.419 404 E N -0.000 120.214 120.200 0.024 0.000 2.435 404 E HA 0.041 4.391 4.350 -0.000 0.000 0.195 404 E C 0.021 176.641 176.600 0.033 0.000 1.029 404 E CA 0.420 56.834 56.400 0.024 0.000 0.865 404 E CB 0.126 29.836 29.700 0.015 0.000 0.833 404 E HN 0.426 nan 8.360 nan 0.000 0.510 405 E N 0.625 120.848 120.200 0.038 0.000 2.221 405 E HA 0.264 4.614 4.350 -0.000 0.000 0.268 405 E C -2.452 174.198 176.600 0.083 0.000 0.933 405 E CA -2.565 53.864 56.400 0.049 0.000 0.809 405 E CB 1.286 31.008 29.700 0.036 0.000 1.190 405 E HN -0.078 nan 8.360 nan 0.000 0.406 406 P HA 0.137 nan 4.420 nan 0.000 0.271 406 P C -0.364 177.082 177.300 0.243 0.000 1.220 406 P CA -0.258 62.969 63.100 0.212 0.000 0.768 406 P CB 0.607 32.397 31.700 0.149 0.000 0.848 407 G N 2.658 111.641 108.800 0.306 0.000 2.990 407 G HA2 0.382 4.342 3.960 -0.000 0.000 0.300 407 G HA3 0.382 4.342 3.960 -0.000 0.000 0.300 407 G C -0.747 174.353 174.900 0.334 0.000 1.498 407 G CA -0.409 44.853 45.100 0.270 0.000 1.074 407 G HN 0.338 nan 8.290 nan 0.000 0.542 408 W N 0.900 122.267 121.300 0.112 0.000 2.116 408 W HA 0.488 5.148 4.660 -0.000 0.000 0.645 408 W C 0.357 177.077 176.519 0.336 0.000 1.601 408 W CA -0.595 56.861 57.345 0.185 0.000 0.950 408 W CB -0.537 28.984 29.460 0.102 0.000 3.459 408 W HN 0.306 nan 8.180 nan 0.000 0.736 409 Y N 1.674 122.233 120.300 0.432 0.000 2.702 409 Y HA 0.224 4.774 4.550 -0.000 0.000 0.336 409 Y C 0.733 176.845 175.900 0.353 0.000 1.235 409 Y CA -0.726 57.584 58.100 0.350 0.000 1.492 409 Y CB -0.336 38.349 38.460 0.376 0.000 1.308 409 Y HN -0.004 nan 8.280 nan 0.000 0.589 410 S N 3.563 119.509 115.700 0.410 0.000 2.548 410 S HA 0.894 5.364 4.470 -0.000 0.000 0.286 410 S C -1.148 173.660 174.600 0.346 0.000 1.098 410 S CA -0.876 57.497 58.200 0.289 0.000 0.930 410 S CB 1.881 65.175 63.200 0.157 0.000 1.070 410 S HN 0.458 nan 8.310 nan 0.000 0.480 411 F N -1.141 118.984 119.950 0.291 0.000 2.643 411 F HA 0.965 5.492 4.527 -0.000 0.000 0.314 411 F C -0.039 175.964 175.800 0.338 0.000 1.096 411 F CA -1.053 57.123 58.000 0.293 0.000 0.953 411 F CB 0.921 40.114 39.000 0.321 0.000 1.345 411 F HN 0.863 nan 8.300 nan 0.000 0.468 412 G N 0.532 109.621 108.800 0.481 0.000 2.417 412 G HA2 0.720 4.680 3.960 -0.000 0.000 0.334 412 G HA3 0.720 4.680 3.960 -0.000 0.000 0.334 412 G C -1.839 173.413 174.900 0.587 0.000 1.150 412 G CA -0.912 44.399 45.100 0.352 0.000 0.923 412 G HN 1.106 nan 8.290 nan 0.000 0.485 413 F N -1.266 118.831 119.950 0.244 0.000 2.719 413 F HA 0.709 5.236 4.527 -0.000 0.000 0.309 413 F C -1.055 174.842 175.800 0.162 0.000 1.138 413 F CA -1.325 56.827 58.000 0.254 0.000 0.943 413 F CB 1.425 40.647 39.000 0.370 0.000 1.304 413 F HN 0.437 nan 8.300 nan 0.000 0.445 414 E N 2.842 123.169 120.200 0.212 0.000 2.199 414 E HA 0.549 4.899 4.350 -0.000 0.000 0.265 414 E C -1.040 175.654 176.600 0.157 0.000 0.882 414 E CA -0.831 55.597 56.400 0.047 0.000 0.759 414 E CB 2.987 32.735 29.700 0.080 0.000 1.148 414 E HN 0.537 nan 8.360 nan 0.000 0.412 415 I N 2.306 122.908 120.570 0.054 0.000 2.440 415 I HA 0.201 4.371 4.170 -0.000 0.000 0.294 415 I C 0.030 176.177 176.117 0.049 0.000 0.995 415 I CA -0.900 60.465 61.300 0.109 0.000 1.306 415 I CB 0.669 38.719 38.000 0.084 0.000 1.407 415 I HN 0.137 nan 8.210 nan 0.000 0.501 416 K N 4.328 124.762 120.400 0.057 0.000 2.263 416 K HA 0.237 4.557 4.320 -0.000 0.000 0.282 416 K C -0.472 176.136 176.600 0.013 0.000 1.089 416 K CA -0.338 55.966 56.287 0.028 0.000 0.907 416 K CB 0.212 32.725 32.500 0.022 0.000 1.148 416 K HN 0.374 nan 8.250 nan 0.000 0.470 417 D N 1.406 121.806 120.400 0.001 0.000 2.451 417 D HA 0.168 4.808 4.640 -0.000 0.000 0.259 417 D C 0.835 177.133 176.300 -0.003 0.000 1.201 417 D CA -0.279 53.718 54.000 -0.005 0.000 1.028 417 D CB 0.978 41.769 40.800 -0.015 0.000 1.095 417 D HN 0.235 nan 8.370 nan 0.000 0.539 418 K N -0.266 120.131 120.400 -0.005 0.000 2.063 418 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 418 K C 0.998 177.597 176.600 -0.002 0.000 1.048 418 K CA 1.419 57.704 56.287 -0.004 0.000 0.928 418 K CB 0.136 32.633 32.500 -0.006 0.000 0.713 418 K HN 0.266 nan 8.250 nan 0.000 0.442 419 K N -1.141 119.257 120.400 -0.003 0.000 2.554 419 K HA 0.115 4.435 4.320 -0.000 0.000 0.211 419 K C -0.404 176.196 176.600 -0.001 0.000 1.226 419 K CA -0.131 56.155 56.287 -0.002 0.000 1.025 419 K CB 1.197 33.694 32.500 -0.005 0.000 1.021 419 K HN 0.241 nan 8.250 nan 0.000 0.600 420 c N -1.226 117.373 118.600 -0.002 0.000 3.318 420 c HA 0.593 5.163 4.570 -0.000 0.000 0.322 420 c C -1.517 172.572 174.090 -0.002 0.000 1.398 420 c CA -1.239 55.089 56.329 -0.001 0.000 1.339 420 c CB 1.482 43.990 42.510 -0.003 0.000 1.668 420 c HN -0.001 nan 8.230 nan 0.000 0.462 421 D N 0.591 120.990 120.400 -0.000 0.000 2.181 421 D HA 0.599 5.239 4.640 -0.000 0.000 0.248 421 D C -0.657 175.620 176.300 -0.037 0.000 1.020 421 D CA -0.184 53.814 54.000 -0.003 0.000 0.891 421 D CB 2.024 42.836 40.800 0.020 0.000 1.187 421 D HN 0.539 nan 8.370 nan 0.000 0.443 422 V N 3.595 123.468 119.914 -0.068 0.000 2.334 422 V HA 0.299 4.419 4.120 -0.000 0.000 0.281 422 V C -2.242 173.713 176.094 -0.231 0.000 1.016 422 V CA -1.646 60.562 62.300 -0.154 0.000 0.832 422 V CB 1.340 33.063 31.823 -0.166 0.000 0.999 422 V HN 0.376 nan 8.190 nan 0.000 0.439 423 P HA 0.335 nan 4.420 nan 0.000 0.276 423 P C -0.709 176.274 177.300 -0.528 0.000 1.235 423 P CA -0.127 62.804 63.100 -0.282 0.000 0.772 423 P CB 0.867 32.485 31.700 -0.137 0.000 0.871 424 c N 4.106 122.383 118.600 -0.539 0.000 2.802 424 c HA 0.619 5.189 4.570 -0.000 0.000 0.307 424 c C -0.279 173.644 174.090 -0.278 0.000 1.222 424 c CA -0.542 55.407 56.329 -0.633 0.000 1.580 424 c CB 1.718 43.434 42.510 -1.323 0.000 2.119 424 c HN 0.447 nan 8.230 nan 0.000 0.479 425 I N 2.136 122.741 120.570 0.057 0.000 2.466 425 I HA 0.508 4.678 4.170 -0.000 0.000 0.289 425 I C 0.489 176.637 176.117 0.051 0.000 1.026 425 I CA 0.343 61.692 61.300 0.082 0.000 1.078 425 I CB 1.272 39.336 38.000 0.107 0.000 1.249 425 I HN 0.905 nan 8.210 nan 0.000 0.429 426 G N 6.435 115.033 108.800 -0.337 0.000 2.410 426 G HA2 0.801 4.761 3.960 -0.000 0.000 0.330 426 G HA3 0.801 4.761 3.960 -0.000 0.000 0.330 426 G C -0.873 173.660 174.900 -0.613 0.000 1.142 426 G CA -0.427 44.303 45.100 -0.618 0.000 0.902 426 G HN 0.468 nan 8.290 nan 0.000 0.491 427 I N 0.410 120.919 120.570 -0.103 0.000 2.478 427 I HA 0.230 4.399 4.170 -0.000 0.000 0.287 427 I C -0.045 176.224 176.117 0.253 0.000 1.042 427 I CA -0.599 60.763 61.300 0.104 0.000 1.067 427 I CB 2.423 40.499 38.000 0.126 0.000 1.233 427 I HN 0.525 nan 8.210 nan 0.000 0.431 428 E N 7.609 128.033 120.200 0.372 0.000 2.257 428 E HA 0.286 4.636 4.350 -0.000 0.000 0.278 428 E C -1.001 175.718 176.600 0.198 0.000 1.049 428 E CA -0.253 56.340 56.400 0.322 0.000 0.876 428 E CB 0.727 30.655 29.700 0.381 0.000 1.035 428 E HN 0.532 nan 8.360 nan 0.000 0.419 429 M N 5.161 124.787 119.600 0.043 0.000 2.027 429 M HA 0.229 4.709 4.480 -0.000 0.000 0.329 429 M C -0.948 175.088 176.300 -0.439 0.000 0.971 429 M CA -0.784 54.464 55.300 -0.086 0.000 0.933 429 M CB 1.528 34.100 32.600 -0.047 0.000 1.392 429 M HN 0.197 nan 8.290 nan 0.000 0.394 430 V N 3.439 122.947 119.914 -0.675 0.000 2.488 430 V HA 0.091 4.211 4.120 -0.000 0.000 0.277 430 V C 0.470 175.997 176.094 -0.945 0.000 1.046 430 V CA -0.423 61.213 62.300 -1.107 0.000 0.986 430 V CB 0.337 30.911 31.823 -2.083 0.000 0.989 430 V HN 0.598 nan 8.190 nan 0.000 0.475 431 H N 3.382 122.104 119.070 -0.581 0.000 3.004 431 H HA 0.256 4.811 4.556 -0.000 0.000 0.267 431 H C -0.597 174.316 175.328 -0.692 0.000 1.165 431 H CA -0.365 55.359 56.048 -0.541 0.000 1.450 431 H CB 0.562 29.998 29.762 -0.543 0.000 1.488 431 H HN 0.575 nan 8.280 nan 0.000 0.478 432 D N 2.084 122.264 120.400 -0.367 0.000 2.381 432 D HA 0.269 4.909 4.640 -0.000 0.000 0.235 432 D C 0.739 176.959 176.300 -0.135 0.000 1.068 432 D CA -0.617 53.274 54.000 -0.182 0.000 0.832 432 D CB 1.105 41.949 40.800 0.073 0.000 1.101 432 D HN 0.720 nan 8.370 nan 0.000 0.515 433 G N 1.960 110.648 108.800 -0.186 0.000 4.100 433 G HA2 0.550 4.510 3.960 -0.000 0.000 0.294 433 G HA3 0.550 4.510 3.960 -0.000 0.000 0.294 433 G C 0.590 175.432 174.900 -0.097 0.000 1.040 433 G CA 0.088 45.098 45.100 -0.150 0.000 0.829 433 G HN 0.860 nan 8.290 nan 0.000 0.505 434 G N 0.953 109.723 108.800 -0.050 0.000 2.655 434 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.680 434 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.680 434 G C 0.655 175.512 174.900 -0.072 0.000 1.302 434 G CA -0.052 45.021 45.100 -0.044 0.000 0.872 434 G HN 0.804 nan 8.290 nan 0.000 0.540 435 K N -0.522 119.840 120.400 -0.063 0.000 2.525 435 K HA 0.201 4.521 4.320 -0.000 0.000 0.192 435 K C 1.010 177.601 176.600 -0.015 0.000 1.029 435 K CA 1.418 57.669 56.287 -0.059 0.000 1.029 435 K CB 0.321 32.789 32.500 -0.053 0.000 0.814 435 K HN 0.324 nan 8.250 nan 0.000 0.503 436 E N 1.066 121.260 120.200 -0.011 0.000 2.479 436 E HA 0.045 4.395 4.350 -0.000 0.000 0.193 436 E C 0.069 176.703 176.600 0.057 0.000 1.049 436 E CA 0.295 56.708 56.400 0.022 0.000 0.870 436 E CB 0.820 30.527 29.700 0.012 0.000 0.944 436 E HN 0.335 nan 8.360 nan 0.000 0.492 437 T N -0.837 113.728 114.554 0.019 0.000 2.681 437 T HA 0.332 4.682 4.350 -0.000 0.000 0.296 437 T C -1.247 173.401 174.700 -0.088 0.000 1.157 437 T CA -0.971 61.138 62.100 0.014 0.000 1.025 437 T CB 0.587 69.364 68.868 -0.151 0.000 1.441 437 T HN 0.175 nan 8.240 nan 0.000 0.504 438 W N 1.988 123.041 121.300 -0.411 0.000 2.150 438 W HA 0.437 5.097 4.660 -0.000 0.000 0.341 438 W C -0.516 175.880 176.519 -0.204 0.000 1.276 438 W CA -0.433 56.615 57.345 -0.496 0.000 1.238 438 W CB -0.340 28.477 29.460 -1.072 0.000 1.128 438 W HN 0.646 nan 8.180 nan 0.000 0.581 439 H N 1.840 120.881 119.070 -0.048 0.000 2.970 439 H HA 0.345 4.901 4.556 -0.000 0.000 0.315 439 H C -1.198 174.139 175.328 0.016 0.000 0.992 439 H CA 0.053 56.011 56.048 -0.149 0.000 1.363 439 H CB 1.833 31.509 29.762 -0.143 0.000 1.532 439 H HN 0.539 nan 8.280 nan 0.000 0.514 440 S N 3.031 118.596 115.700 -0.225 0.000 2.880 440 S HA 0.884 5.354 4.470 -0.000 0.000 0.308 440 S C -1.667 172.851 174.600 -0.137 0.000 1.195 440 S CA 0.032 58.207 58.200 -0.042 0.000 0.866 440 S CB 1.725 64.961 63.200 0.060 0.000 1.254 440 S HN 0.821 nan 8.310 nan 0.000 0.571 441 A N 0.174 123.041 122.820 0.077 0.000 2.574 441 A HA 0.863 5.183 4.320 -0.000 0.000 0.297 441 A C -0.611 177.074 177.584 0.169 0.000 1.062 441 A CA -0.087 51.905 52.037 -0.075 0.000 0.686 441 A CB 0.990 19.918 19.000 -0.119 0.000 1.285 441 A HN 1.412 nan 8.150 nan 0.000 0.403 442 A N 0.454 123.302 122.820 0.047 0.000 2.269 442 A HA 0.866 5.186 4.320 -0.000 0.000 0.319 442 A C 0.049 177.732 177.584 0.165 0.000 1.110 442 A CA -0.338 51.809 52.037 0.183 0.000 0.847 442 A CB 0.629 19.731 19.000 0.169 0.000 1.161 442 A HN 1.003 nan 8.150 nan 0.000 0.497 443 T N 1.217 115.897 114.554 0.209 0.000 2.809 443 T HA 0.608 4.958 4.350 -0.000 0.000 0.284 443 T C -0.199 174.585 174.700 0.140 0.000 0.992 443 T CA 0.072 62.300 62.100 0.214 0.000 0.957 443 T CB 1.288 70.304 68.868 0.247 0.000 0.942 443 T HN 1.060 nan 8.240 nan 0.000 0.439 444 A N 3.593 126.508 122.820 0.159 0.000 2.301 444 A HA 0.823 5.143 4.320 -0.000 0.000 0.312 444 A C -0.524 177.171 177.584 0.184 0.000 1.182 444 A CA -0.582 51.553 52.037 0.164 0.000 0.826 444 A CB 0.112 19.253 19.000 0.234 0.000 1.134 444 A HN 0.779 nan 8.150 nan 0.000 0.501 445 I N 1.703 122.347 120.570 0.123 0.000 2.436 445 I HA 0.382 4.551 4.170 -0.000 0.000 0.289 445 I C -1.190 174.933 176.117 0.009 0.000 1.010 445 I CA 0.041 61.431 61.300 0.151 0.000 1.098 445 I CB 1.524 39.620 38.000 0.161 0.000 1.266 445 I HN 0.608 nan 8.210 nan 0.000 0.434 446 Y N 4.419 124.766 120.300 0.077 0.000 2.376 446 Y HA 0.644 5.194 4.550 -0.000 0.000 0.340 446 Y C -0.319 175.526 175.900 -0.091 0.000 0.965 446 Y CA -0.431 57.715 58.100 0.078 0.000 1.078 446 Y CB 1.955 40.542 38.460 0.211 0.000 1.193 446 Y HN 0.484 nan 8.280 nan 0.000 0.452 447 c N 3.381 121.811 118.600 -0.284 0.000 2.802 447 c HA 0.420 4.990 4.570 -0.000 0.000 0.307 447 c C -0.432 172.957 174.090 -1.168 0.000 1.222 447 c CA -1.233 54.620 56.329 -0.793 0.000 1.580 447 c CB 1.648 43.879 42.510 -0.465 0.000 2.119 447 c HN 0.771 nan 8.230 nan 0.000 0.479 448 L N 4.404 124.617 121.223 -1.684 0.000 2.562 448 L HA 0.362 4.702 4.340 -0.000 0.000 0.271 448 L C -0.003 176.582 176.870 -0.475 0.000 1.167 448 L CA 1.274 55.477 54.840 -1.063 0.000 0.917 448 L CB -0.185 41.378 42.059 -0.828 0.000 1.187 448 L HN 0.767 nan 8.230 nan 0.000 0.482 449 M N 4.738 124.169 119.600 -0.281 0.000 2.234 449 M HA 0.693 5.172 4.480 -0.000 0.000 0.267 449 M C 0.107 176.369 176.300 -0.064 0.000 1.022 449 M CA -0.136 55.073 55.300 -0.151 0.000 0.993 449 M CB 1.286 33.799 32.600 -0.144 0.000 1.836 449 M HN 0.724 nan 8.290 nan 0.000 0.479 450 G N 2.824 111.602 108.800 -0.037 0.000 2.698 450 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.233 450 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.233 450 G C -0.501 174.417 174.900 0.031 0.000 1.352 450 G CA -0.085 45.013 45.100 -0.003 0.000 0.879 450 G HN 1.568 nan 8.290 nan 0.000 0.567 451 S N -0.948 114.774 115.700 0.038 0.000 2.768 451 S HA 1.019 5.489 4.470 -0.000 0.000 0.300 451 S C 1.068 175.708 174.600 0.066 0.000 1.122 451 S CA 0.661 58.897 58.200 0.060 0.000 0.995 451 S CB 1.544 64.771 63.200 0.044 0.000 1.195 451 S HN 3.005 nan 8.310 nan 0.000 0.547 452 G N -0.003 108.842 108.800 0.076 0.000 2.516 452 G HA2 0.124 4.084 3.960 -0.000 0.000 0.220 452 G HA3 0.124 4.084 3.960 -0.000 0.000 0.220 452 G C -1.439 173.521 174.900 0.100 0.000 1.165 452 G CA -0.033 45.109 45.100 0.071 0.000 1.013 452 G HN 1.269 nan 8.290 nan 0.000 0.590 453 Q N -0.422 119.435 119.800 0.095 0.000 2.456 453 Q HA 0.702 5.042 4.340 -0.000 0.000 0.283 453 Q C -0.439 175.638 176.000 0.129 0.000 1.084 453 Q CA -1.047 54.826 55.803 0.116 0.000 0.801 453 Q CB 2.312 31.103 28.738 0.089 0.000 1.434 453 Q HN 1.299 nan 8.270 nan 0.000 0.419 454 L N 1.725 123.042 121.223 0.156 0.000 2.513 454 L HA -0.063 4.277 4.340 -0.000 0.000 0.272 454 L C -0.031 176.945 176.870 0.177 0.000 1.187 454 L CA -0.114 54.839 54.840 0.189 0.000 0.895 454 L CB 0.295 42.468 42.059 0.190 0.000 1.147 454 L HN 0.597 nan 8.230 nan 0.000 0.483 455 L N 5.230 126.578 121.223 0.208 0.000 2.362 455 L HA 0.250 4.590 4.340 -0.000 0.000 0.204 455 L C -0.209 176.870 176.870 0.348 0.000 1.060 455 L CA 0.832 55.784 54.840 0.188 0.000 0.827 455 L CB -0.385 41.721 42.059 0.079 0.000 1.027 455 L HN 0.589 nan 8.230 nan 0.000 0.474 456 W N 1.098 122.483 121.300 0.142 0.000 2.915 456 W HA 0.325 4.984 4.660 -0.000 0.000 0.337 456 W C -0.300 176.352 176.519 0.221 0.000 1.102 456 W CA -1.735 55.692 57.345 0.136 0.000 1.224 456 W CB 1.122 30.635 29.460 0.089 0.000 1.416 456 W HN 0.074 nan 8.180 nan 0.000 0.503 457 D N 0.879 121.353 120.400 0.124 0.000 2.423 457 D HA 0.446 5.086 4.640 -0.000 0.000 0.255 457 D C -0.688 175.625 176.300 0.021 0.000 1.174 457 D CA -0.141 53.912 54.000 0.088 0.000 1.008 457 D CB 1.236 42.029 40.800 -0.010 0.000 1.101 457 D HN 0.112 nan 8.370 nan 0.000 0.516 458 T N -0.302 114.308 114.554 0.093 0.000 2.824 458 T HA 0.495 4.845 4.350 -0.000 0.000 0.282 458 T C -0.118 174.584 174.700 0.004 0.000 0.993 458 T CA -0.795 61.338 62.100 0.055 0.000 0.967 458 T CB 1.407 70.389 68.868 0.189 0.000 0.960 458 T HN 0.491 nan 8.240 nan 0.000 0.441 459 V N 0.526 120.417 119.914 -0.038 0.000 2.815 459 V HA 0.696 4.816 4.120 -0.000 0.000 0.314 459 V C 1.189 177.290 176.094 0.013 0.000 1.064 459 V CA -0.499 61.789 62.300 -0.020 0.000 0.952 459 V CB 1.357 33.146 31.823 -0.057 0.000 1.020 459 V HN 0.944 nan 8.190 nan 0.000 0.439 460 T N -0.913 113.669 114.554 0.047 0.000 2.942 460 T HA 0.222 4.571 4.350 -0.000 0.000 0.265 460 T C 1.693 176.430 174.700 0.062 0.000 1.062 460 T CA 1.512 63.671 62.100 0.098 0.000 1.139 460 T CB -0.396 68.606 68.868 0.223 0.000 0.883 460 T HN 2.557 nan 8.240 nan 0.000 0.468 461 G N 0.626 109.446 108.800 0.033 0.000 2.184 461 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.264 461 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.264 461 G C 0.101 175.000 174.900 -0.001 0.000 0.975 461 G CA 0.127 45.227 45.100 -0.001 0.000 0.642 461 G HN 0.774 nan 8.290 nan 0.000 0.536 462 V N 1.228 121.164 119.914 0.038 0.000 2.498 462 V HA 0.513 4.633 4.120 -0.000 0.000 0.279 462 V C 0.045 176.157 176.094 0.029 0.000 1.048 462 V CA -0.296 62.010 62.300 0.009 0.000 0.967 462 V CB 1.818 33.605 31.823 -0.059 0.000 0.988 462 V HN 0.349 nan 8.190 nan 0.000 0.473 463 D N 4.430 124.844 120.400 0.023 0.000 2.392 463 D HA 0.332 4.972 4.640 -0.000 0.000 0.228 463 D C 0.614 176.957 176.300 0.072 0.000 1.074 463 D CA -0.415 53.605 54.000 0.034 0.000 0.838 463 D CB 1.601 42.416 40.800 0.025 0.000 1.067 463 D HN 0.473 nan 8.370 nan 0.000 0.511 464 M N 2.494 122.125 119.600 0.052 0.000 2.630 464 M HA 0.024 4.503 4.480 -0.000 0.000 0.254 464 M C 1.597 177.976 176.300 0.132 0.000 1.092 464 M CA 0.316 55.670 55.300 0.090 0.000 1.087 464 M CB 0.284 32.762 32.600 -0.203 0.000 1.453 464 M HN 0.477 nan 8.290 nan 0.000 0.509 465 A N 0.229 123.099 122.820 0.084 0.000 2.169 465 A HA 0.202 4.521 4.320 -0.000 0.000 0.212 465 A C 1.090 178.737 177.584 0.105 0.000 1.153 465 A CA 0.310 52.397 52.037 0.082 0.000 0.756 465 A CB -0.089 18.938 19.000 0.046 0.000 0.813 465 A HN 0.346 nan 8.150 nan 0.000 0.471 466 L N 0.000 121.289 121.223 0.110 0.000 2.949 466 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 466 L CA 0.000 54.889 54.840 0.081 0.000 0.813 466 L CB 0.000 42.089 42.059 0.049 0.000 0.961 466 L HN 0.000 nan 8.230 nan 0.000 0.502