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_F 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 0.000 177.192 177.300 -0.180 0.000 1.155 78 P CA 0.000 63.041 63.100 -0.097 0.000 0.800 78 P CB 0.000 31.654 31.700 -0.076 0.000 0.726 79 E N 0.038 120.146 120.200 -0.153 0.000 2.299 79 E HA 0.552 4.902 4.350 -0.000 0.000 0.265 79 E C -0.920 175.594 176.600 -0.145 0.000 0.911 79 E CA -0.499 55.770 56.400 -0.218 0.000 0.789 79 E CB 0.835 30.491 29.700 -0.073 0.000 1.246 79 E HN 0.401 nan 8.360 nan 0.000 0.427 80 W N 1.525 122.813 121.300 -0.020 0.000 2.293 80 W HA 0.077 4.737 4.660 -0.000 0.000 0.342 80 W C 0.574 176.995 176.519 -0.163 0.000 1.274 80 W CA -0.310 56.957 57.345 -0.131 0.000 1.290 80 W CB 0.265 29.588 29.460 -0.228 0.000 1.176 80 W HN 0.336 nan 8.180 nan 0.000 0.570 81 T N 0.140 114.706 114.554 0.021 0.000 2.928 81 T HA 0.583 4.933 4.350 -0.000 0.000 0.284 81 T C -1.082 173.407 174.700 -0.352 0.000 1.008 81 T CA -0.707 61.366 62.100 -0.045 0.000 1.057 81 T CB 1.135 70.014 68.868 0.019 0.000 1.018 81 T HN 0.316 nan 8.240 nan 0.000 0.493 82 Y N 0.280 120.536 120.300 -0.074 0.000 2.576 82 Y HA 0.525 5.075 4.550 -0.000 0.000 0.346 82 Y C -2.312 173.434 175.900 -0.256 0.000 1.018 82 Y CA -2.745 55.230 58.100 -0.209 0.000 1.050 82 Y CB 1.787 40.161 38.460 -0.143 0.000 1.280 82 Y HN 0.516 nan 8.280 nan 0.000 0.474 83 P HA 0.219 nan 4.420 nan 0.000 0.268 83 P C -1.044 176.215 177.300 -0.069 0.000 1.204 83 P CA -0.086 62.888 63.100 -0.210 0.000 0.768 83 P CB 1.038 32.526 31.700 -0.355 0.000 0.842 84 R N 1.447 121.933 120.500 -0.023 0.000 2.923 84 R HA 0.572 4.912 4.340 -0.000 0.000 0.252 84 R C -0.234 176.068 176.300 0.003 0.000 1.130 84 R CA -1.285 54.810 56.100 -0.008 0.000 1.043 84 R CB 0.047 30.348 30.300 0.001 0.000 1.205 84 R HN 0.210 nan 8.270 nan 0.000 0.495 85 L N 1.031 122.257 121.223 0.005 0.000 2.514 85 L HA 0.024 4.364 4.340 -0.000 0.000 0.280 85 L C 0.041 176.924 176.870 0.022 0.000 1.223 85 L CA 0.962 55.813 54.840 0.018 0.000 0.864 85 L CB 0.435 42.502 42.059 0.014 0.000 1.118 85 L HN 0.594 nan 8.230 nan 0.000 0.494 86 S N 1.133 116.856 115.700 0.038 0.000 2.585 86 S HA 0.166 4.636 4.470 -0.000 0.000 0.273 86 S C 0.003 174.613 174.600 0.016 0.000 1.339 86 S CA -0.952 57.266 58.200 0.030 0.000 1.028 86 S CB 0.409 63.645 63.200 0.059 0.000 0.906 86 S HN 0.678 nan 8.310 nan 0.000 0.528 87 c N 3.607 122.200 118.600 -0.012 0.000 2.689 87 c HA 0.276 4.846 4.570 -0.000 0.000 0.409 87 c C -1.693 172.391 174.090 -0.010 0.000 1.293 87 c CA -1.090 55.227 56.329 -0.020 0.000 2.136 87 c CB -1.047 41.436 42.510 -0.046 0.000 2.719 87 c HN 0.615 nan 8.230 nan 0.000 0.644 88 P HA 0.490 nan 4.420 nan 0.000 0.270 88 P C 0.047 177.348 177.300 0.001 0.000 1.223 88 P CA 0.795 63.901 63.100 0.011 0.000 0.785 88 P CB 0.323 32.027 31.700 0.006 0.000 0.923 89 G N -0.601 108.220 108.800 0.034 0.000 2.350 89 G HA2 0.361 4.321 3.960 -0.000 0.000 0.304 89 G HA3 0.361 4.321 3.960 -0.000 0.000 0.304 89 G C -0.413 174.566 174.900 0.131 0.000 1.421 89 G CA 0.003 45.126 45.100 0.038 0.000 0.934 89 G HN 0.615 nan 8.290 nan 0.000 0.632 90 S N -1.968 113.837 115.700 0.175 0.000 2.904 90 S HA 0.585 5.055 4.470 -0.000 0.000 0.260 90 S C 0.211 175.063 174.600 0.420 0.000 1.000 90 S CA 0.940 59.331 58.200 0.317 0.000 1.274 90 S CB 0.900 64.216 63.200 0.194 0.000 1.196 90 S HN 1.673 nan 8.310 nan 0.000 0.678 91 T N 0.897 115.622 114.554 0.285 0.000 2.894 91 T HA 0.691 5.041 4.350 -0.000 0.000 0.309 91 T C -1.919 172.871 174.700 0.150 0.000 1.208 91 T CA -0.389 61.902 62.100 0.318 0.000 1.016 91 T CB 0.909 69.923 68.868 0.243 0.000 1.192 91 T HN 0.093 nan 8.240 nan 0.000 0.491 92 F N 2.627 122.487 119.950 -0.150 0.000 2.377 92 F HA 0.649 5.176 4.527 -0.000 0.000 0.328 92 F C 0.807 176.632 175.800 0.041 0.000 1.094 92 F CA -0.421 57.486 58.000 -0.155 0.000 1.093 92 F CB 1.417 40.308 39.000 -0.183 0.000 1.214 92 F HN 0.352 nan 8.300 nan 0.000 0.518 93 Q N 0.899 120.780 119.800 0.135 0.000 2.451 93 Q HA 0.235 4.575 4.340 -0.000 0.000 0.281 93 Q C -0.874 175.033 176.000 -0.154 0.000 1.099 93 Q CA -1.174 54.686 55.803 0.095 0.000 0.806 93 Q CB 2.451 31.189 28.738 -0.001 0.000 1.419 93 Q HN 0.515 nan 8.270 nan 0.000 0.427 94 K N 0.599 120.772 120.400 -0.380 0.000 2.436 94 K HA 0.214 4.533 4.320 -0.000 0.000 0.282 94 K C 0.078 176.427 176.600 -0.418 0.000 1.044 94 K CA 0.491 56.226 56.287 -0.920 0.000 1.028 94 K CB 0.405 32.642 32.500 -0.437 0.000 0.919 94 K HN 0.707 nan 8.250 nan 0.000 0.474 95 A N 4.846 127.424 122.820 -0.403 0.000 1.969 95 A HA 0.205 4.525 4.320 -0.000 0.000 0.205 95 A C -0.213 177.313 177.584 -0.097 0.000 1.364 95 A CA 0.180 52.109 52.037 -0.181 0.000 0.756 95 A CB 0.315 19.234 19.000 -0.135 0.000 0.988 95 A HN 0.583 nan 8.150 nan 0.000 0.490 96 L N -1.024 120.151 121.223 -0.081 0.000 2.592 96 L HA 0.635 4.975 4.340 -0.000 0.000 0.258 96 L C -1.989 174.887 176.870 0.011 0.000 0.926 96 L CA -0.441 54.390 54.840 -0.015 0.000 0.885 96 L CB 1.992 44.056 42.059 0.008 0.000 1.380 96 L HN 0.232 nan 8.230 nan 0.000 0.415 97 L N 5.457 126.699 121.223 0.031 0.000 2.322 97 L HA 0.698 5.038 4.340 -0.000 0.000 0.281 97 L C -1.228 175.683 176.870 0.067 0.000 1.014 97 L CA -0.217 54.658 54.840 0.059 0.000 0.815 97 L CB 1.398 43.492 42.059 0.059 0.000 1.247 97 L HN 0.465 nan 8.230 nan 0.000 0.421 98 I N 4.320 124.940 120.570 0.083 0.000 2.359 98 I HA 0.275 4.445 4.170 -0.000 0.000 0.284 98 I C 0.063 176.271 176.117 0.150 0.000 1.018 98 I CA -0.057 61.312 61.300 0.116 0.000 1.173 98 I CB 0.847 38.925 38.000 0.130 0.000 1.326 98 I HN 0.647 nan 8.210 nan 0.000 0.462 99 S N 8.630 124.406 115.700 0.126 0.000 2.150 99 S HA 0.430 4.900 4.470 -0.000 0.000 0.171 99 S C -1.610 173.014 174.600 0.039 0.000 1.620 99 S CA -1.254 57.015 58.200 0.115 0.000 1.190 99 S CB 0.622 63.863 63.200 0.068 0.000 1.102 99 S HN 0.289 nan 8.310 nan 0.000 0.464 100 P HA -0.089 nan 4.420 nan 0.000 0.218 100 P C 0.868 178.019 177.300 -0.249 0.000 1.149 100 P CA 1.053 64.117 63.100 -0.060 0.000 0.817 100 P CB -0.044 31.514 31.700 -0.236 0.000 0.785 101 H N -1.060 117.956 119.070 -0.089 0.000 2.556 101 H HA 0.157 4.713 4.556 -0.000 0.000 0.268 101 H C 1.704 176.835 175.328 -0.328 0.000 0.996 101 H CA 0.438 56.330 56.048 -0.261 0.000 1.157 101 H CB -0.016 29.520 29.762 -0.377 0.000 1.355 101 H HN 0.058 nan 8.280 nan 0.000 0.597 102 R N 0.359 120.614 120.500 -0.408 0.000 2.285 102 R HA -0.062 4.278 4.340 -0.000 0.000 0.213 102 R C 0.460 176.299 176.300 -0.769 0.000 1.068 102 R CA 0.589 56.295 56.100 -0.657 0.000 1.004 102 R CB -0.179 29.558 30.300 -0.937 0.000 0.873 102 R HN 0.292 nan 8.270 nan 0.000 0.467 103 F N -2.002 117.896 119.950 -0.087 0.000 2.688 103 F HA 0.328 4.855 4.527 -0.000 0.000 0.310 103 F C 1.698 177.430 175.800 -0.115 0.000 1.098 103 F CA -0.403 57.543 58.000 -0.091 0.000 1.228 103 F CB 0.250 39.195 39.000 -0.093 0.000 1.042 103 F HN -0.125 nan 8.300 nan 0.000 0.557 104 G N 0.065 108.832 108.800 -0.056 0.000 3.383 104 G HA2 0.133 4.093 3.960 -0.000 0.000 0.251 104 G HA3 0.133 4.093 3.960 -0.000 0.000 0.251 104 G C 0.097 174.937 174.900 -0.100 0.000 1.203 104 G CA -0.238 44.795 45.100 -0.111 0.000 0.852 104 G HN 0.187 nan 8.290 nan 0.000 0.531 105 E N -0.301 119.874 120.200 -0.041 0.000 2.404 105 E HA 0.247 4.597 4.350 -0.000 0.000 0.261 105 E C 1.334 177.936 176.600 0.002 0.000 1.074 105 E CA 0.052 56.444 56.400 -0.013 0.000 0.917 105 E CB 0.674 30.376 29.700 0.003 0.000 0.965 105 E HN -0.012 nan 8.360 nan 0.000 0.433 106 T N 2.074 116.639 114.554 0.018 0.000 2.759 106 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 106 T C 1.206 175.916 174.700 0.017 0.000 1.042 106 T CA 0.994 63.108 62.100 0.023 0.000 1.140 106 T CB 0.006 68.895 68.868 0.035 0.000 0.864 106 T HN 0.281 nan 8.240 nan 0.000 0.455 107 K N 1.109 121.520 120.400 0.018 0.000 2.439 107 K HA 0.127 4.447 4.320 -0.000 0.000 0.197 107 K C 1.384 177.995 176.600 0.018 0.000 1.041 107 K CA 0.115 56.412 56.287 0.017 0.000 0.970 107 K CB -0.370 32.141 32.500 0.018 0.000 0.773 107 K HN 0.415 nan 8.250 nan 0.000 0.479 108 G N 0.879 109.691 108.800 0.021 0.000 2.532 108 G HA2 0.130 4.090 3.960 -0.000 0.000 0.291 108 G HA3 0.130 4.090 3.960 -0.000 0.000 0.291 108 G C 0.130 175.039 174.900 0.016 0.000 1.349 108 G CA -0.455 44.663 45.100 0.029 0.000 1.038 108 G HN 0.114 nan 8.290 nan 0.000 0.518 109 N N -0.567 118.141 118.700 0.012 0.000 2.466 109 N HA 0.208 4.948 4.740 -0.000 0.000 0.272 109 N C -0.557 174.943 175.510 -0.017 0.000 1.455 109 N CA -0.186 52.861 53.050 -0.005 0.000 0.875 109 N CB 1.254 39.733 38.487 -0.013 0.000 1.372 109 N HN 0.254 nan 8.380 nan 0.000 0.492 110 S N 0.033 115.729 115.700 -0.006 0.000 2.689 110 S HA 0.781 5.251 4.470 -0.000 0.000 0.306 110 S C 0.031 174.619 174.600 -0.021 0.000 1.104 110 S CA -0.673 57.512 58.200 -0.024 0.000 0.973 110 S CB 2.334 65.528 63.200 -0.009 0.000 1.121 110 S HN 0.219 nan 8.310 nan 0.000 0.523 111 A N 2.403 125.201 122.820 -0.036 0.000 3.297 111 A HA 0.500 4.820 4.320 -0.000 0.000 0.304 111 A C -2.867 174.683 177.584 -0.055 0.000 0.963 111 A CA -1.441 50.578 52.037 -0.029 0.000 0.935 111 A CB -0.084 18.909 19.000 -0.012 0.000 1.093 111 A HN 0.462 nan 8.150 nan 0.000 0.480 112 P HA 0.131 nan 4.420 nan 0.000 0.268 112 P C -0.128 177.092 177.300 -0.132 0.000 1.204 112 P CA 0.375 63.356 63.100 -0.197 0.000 0.768 112 P CB 0.856 32.286 31.700 -0.450 0.000 0.842 113 L N 3.827 124.989 121.223 -0.101 0.000 2.397 113 L HA 0.222 4.562 4.340 -0.000 0.000 0.271 113 L C 1.077 178.021 176.870 0.124 0.000 1.148 113 L CA -0.621 54.221 54.840 0.002 0.000 0.825 113 L CB 0.139 42.157 42.059 -0.069 0.000 1.117 113 L HN 0.275 nan 8.230 nan 0.000 0.456 114 I N 4.673 125.378 120.570 0.224 0.000 2.436 114 I HA 0.097 4.267 4.170 -0.000 0.000 0.289 114 I C 0.114 176.391 176.117 0.266 0.000 1.083 114 I CA 0.210 61.699 61.300 0.315 0.000 1.372 114 I CB 0.272 38.478 38.000 0.343 0.000 1.408 114 I HN 0.429 nan 8.210 nan 0.000 0.516 115 I N 4.891 125.607 120.570 0.243 0.000 3.322 115 I HA 0.776 4.946 4.170 -0.000 0.000 0.313 115 I C -0.435 175.759 176.117 0.129 0.000 1.129 115 I CA -0.765 60.620 61.300 0.141 0.000 0.963 115 I CB 1.904 39.924 38.000 0.033 0.000 1.273 115 I HN 0.408 nan 8.210 nan 0.000 0.473 116 R N -0.145 120.401 120.500 0.076 0.000 2.764 116 R HA 0.321 4.661 4.340 -0.000 0.000 0.276 116 R C -1.295 175.041 176.300 0.059 0.000 1.021 116 R CA -0.947 55.179 56.100 0.043 0.000 0.870 116 R CB 1.469 31.805 30.300 0.061 0.000 1.293 116 R HN 0.794 nan 8.270 nan 0.000 0.469 117 E N 0.444 120.672 120.200 0.047 0.000 2.210 117 E HA -0.160 4.190 4.350 -0.000 0.000 0.201 117 E C -2.474 174.255 176.600 0.215 0.000 1.339 117 E CA 0.532 57.031 56.400 0.164 0.000 0.699 117 E CB -1.003 28.823 29.700 0.210 0.000 1.126 117 E HN 0.229 nan 8.360 nan 0.000 0.355 118 P HA 0.390 nan 4.420 nan 0.000 0.276 118 P C -0.315 176.910 177.300 -0.125 0.000 1.244 118 P CA -0.289 62.854 63.100 0.072 0.000 0.801 118 P CB 0.616 32.432 31.700 0.195 0.000 1.006 119 F N -1.122 118.591 119.950 -0.395 0.000 2.741 119 F HA 0.712 5.239 4.527 -0.000 0.000 0.313 119 F C -1.774 173.860 175.800 -0.276 0.000 1.153 119 F CA -1.296 56.100 58.000 -1.007 0.000 0.931 119 F CB 0.858 39.481 39.000 -0.628 0.000 1.335 119 F HN 0.049 nan 8.300 nan 0.000 0.460 120 I N 1.723 122.228 120.570 -0.108 0.000 2.647 120 I HA 0.809 4.978 4.170 -0.000 0.000 0.295 120 I C -0.819 175.428 176.117 0.217 0.000 1.078 120 I CA -1.131 60.106 61.300 -0.105 0.000 1.048 120 I CB 2.054 39.608 38.000 -0.743 0.000 1.239 120 I HN 1.004 nan 8.210 nan 0.000 0.421 121 A N 4.467 127.531 122.820 0.407 0.000 2.449 121 A HA 0.840 5.160 4.320 -0.000 0.000 0.302 121 A C -1.416 176.550 177.584 0.636 0.000 1.048 121 A CA -0.419 51.972 52.037 0.590 0.000 0.708 121 A CB 1.625 21.090 19.000 0.775 0.000 1.274 121 A HN 0.750 nan 8.150 nan 0.000 0.410 122 c N 0.945 119.835 118.600 0.482 0.000 2.626 122 c HA 0.885 5.455 4.570 -0.000 0.000 0.310 122 c C 1.009 175.160 174.090 0.102 0.000 1.191 122 c CA -0.117 56.424 56.329 0.353 0.000 1.517 122 c CB 1.309 44.001 42.510 0.303 0.000 2.102 122 c HN 1.221 nan 8.230 nan 0.000 0.479 123 G N 1.909 110.666 108.800 -0.071 0.000 2.753 123 G HA2 0.609 4.569 3.960 -0.000 0.000 0.285 123 G HA3 0.609 4.569 3.960 -0.000 0.000 0.285 123 G C -1.670 173.100 174.900 -0.216 0.000 1.344 123 G CA -0.657 44.163 45.100 -0.466 0.000 1.050 123 G HN 0.446 nan 8.290 nan 0.000 0.532 124 P HA -0.029 nan 4.420 nan 0.000 0.225 124 P C 0.691 177.957 177.300 -0.058 0.000 1.148 124 P CA 1.285 64.329 63.100 -0.092 0.000 0.779 124 P CB 0.193 31.853 31.700 -0.067 0.000 0.780 125 K N -2.306 118.052 120.400 -0.070 0.000 2.529 125 K HA 0.309 4.629 4.320 -0.000 0.000 0.215 125 K C 0.591 177.207 176.600 0.027 0.000 1.286 125 K CA -0.333 55.947 56.287 -0.012 0.000 0.997 125 K CB 1.043 33.539 32.500 -0.007 0.000 1.063 125 K HN -0.101 nan 8.250 nan 0.000 0.590 126 E N 0.512 120.746 120.200 0.057 0.000 2.372 126 E HA 0.319 4.669 4.350 -0.000 0.000 0.279 126 E C -1.616 175.099 176.600 0.192 0.000 0.946 126 E CA -0.887 55.581 56.400 0.113 0.000 0.769 126 E CB 2.337 32.121 29.700 0.141 0.000 1.230 126 E HN 0.217 nan 8.360 nan 0.000 0.442 127 c N 2.879 121.571 118.600 0.153 0.000 2.382 127 c HA 0.532 5.102 4.570 -0.000 0.000 0.327 127 c C -0.330 173.792 174.090 0.053 0.000 1.250 127 c CA -0.658 55.779 56.329 0.180 0.000 1.707 127 c CB 0.636 43.228 42.510 0.137 0.000 2.272 127 c HN 0.509 nan 8.230 nan 0.000 0.506 128 K N 1.481 121.882 120.400 0.001 0.000 2.221 128 K HA 0.321 4.640 4.320 -0.000 0.000 0.258 128 K C -0.509 175.842 176.600 -0.416 0.000 0.944 128 K CA -0.333 55.723 56.287 -0.386 0.000 0.823 128 K CB 1.261 33.203 32.500 -0.929 0.000 1.113 128 K HN 0.817 nan 8.250 nan 0.000 0.431 129 H N 3.830 122.567 119.070 -0.556 0.000 2.705 129 H HA 0.205 4.760 4.556 -0.000 0.000 0.291 129 H C -1.023 173.890 175.328 -0.692 0.000 1.085 129 H CA -0.675 55.090 56.048 -0.471 0.000 1.357 129 H CB 0.317 29.911 29.762 -0.280 0.000 1.419 129 H HN 0.344 nan 8.280 nan 0.000 0.462 130 F N 3.009 122.633 119.950 -0.543 0.000 2.432 130 F HA 0.621 5.148 4.527 -0.000 0.000 0.329 130 F C 0.272 175.675 175.800 -0.662 0.000 1.076 130 F CA -0.256 57.289 58.000 -0.758 0.000 1.018 130 F CB 1.852 40.015 39.000 -1.395 0.000 1.201 130 F HN 0.615 nan 8.300 nan 0.000 0.489 131 A N 1.697 124.377 122.820 -0.234 0.000 2.610 131 A HA 0.745 5.065 4.320 -0.000 0.000 0.291 131 A C -1.920 175.641 177.584 -0.038 0.000 1.086 131 A CA -0.781 51.177 52.037 -0.132 0.000 0.677 131 A CB 1.203 20.069 19.000 -0.224 0.000 1.278 131 A HN 0.678 nan 8.150 nan 0.000 0.414 132 L N 1.473 122.707 121.223 0.018 0.000 2.272 132 L HA 0.570 4.909 4.340 -0.000 0.000 0.289 132 L C 0.450 177.299 176.870 -0.035 0.000 1.032 132 L CA -0.340 54.511 54.840 0.017 0.000 0.810 132 L CB 1.604 43.705 42.059 0.070 0.000 1.205 132 L HN 0.800 nan 8.230 nan 0.000 0.422 133 T N 0.286 114.805 114.554 -0.059 0.000 2.945 133 T HA 0.287 4.637 4.350 -0.000 0.000 0.286 133 T C 0.675 175.392 174.700 0.028 0.000 1.025 133 T CA -0.420 61.663 62.100 -0.027 0.000 1.039 133 T CB 0.836 69.628 68.868 -0.127 0.000 1.068 133 T HN 0.538 nan 8.240 nan 0.000 0.497 134 H N 2.721 121.910 119.070 0.198 0.000 2.524 134 H HA 0.088 4.644 4.556 -0.000 0.000 0.280 134 H C -0.292 175.234 175.328 0.329 0.000 1.018 134 H CA 0.134 56.336 56.048 0.256 0.000 1.165 134 H CB -0.109 29.792 29.762 0.233 0.000 1.411 134 H HN 0.777 nan 8.280 nan 0.000 0.569 135 Y N -0.123 120.322 120.300 0.242 0.000 3.477 135 Y HA -0.220 4.330 4.550 -0.000 0.000 0.216 135 Y C -0.298 175.687 175.900 0.143 0.000 1.296 135 Y CA 0.219 58.439 58.100 0.200 0.000 1.535 135 Y CB -1.455 37.083 38.460 0.129 0.000 1.482 135 Y HN 0.378 nan 8.280 nan 0.000 0.597 136 A N -0.099 122.925 122.820 0.339 0.000 2.572 136 A HA 1.001 5.321 4.320 -0.000 0.000 0.295 136 A C -0.823 176.923 177.584 0.270 0.000 1.072 136 A CA -0.167 52.062 52.037 0.321 0.000 0.691 136 A CB 1.323 20.554 19.000 0.385 0.000 1.291 136 A HN 1.215 nan 8.150 nan 0.000 0.404 137 A N 0.439 123.406 122.820 0.246 0.000 2.386 137 A HA 0.803 5.123 4.320 -0.000 0.000 0.308 137 A C -0.547 177.153 177.584 0.193 0.000 1.128 137 A CA -0.575 51.564 52.037 0.171 0.000 0.789 137 A CB 1.405 20.466 19.000 0.102 0.000 1.325 137 A HN 0.877 nan 8.150 nan 0.000 0.437 138 Q N 1.347 121.191 119.800 0.074 0.000 2.307 138 Q HA 0.466 4.806 4.340 -0.000 0.000 0.262 138 Q C -2.608 173.358 176.000 -0.057 0.000 0.961 138 Q CA -2.193 53.587 55.803 -0.039 0.000 0.882 138 Q CB 1.999 30.459 28.738 -0.464 0.000 1.264 138 Q HN 0.539 nan 8.270 nan 0.000 0.446 139 P HA 0.362 nan 4.420 nan 0.000 0.274 139 P C -0.562 176.775 177.300 0.061 0.000 1.231 139 P CA 0.143 63.293 63.100 0.084 0.000 0.790 139 P CB 1.421 33.148 31.700 0.046 0.000 0.951 140 G N -0.456 108.327 108.800 -0.028 0.000 2.489 140 G HA2 0.481 4.441 3.960 -0.000 0.000 0.305 140 G HA3 0.481 4.441 3.960 -0.000 0.000 0.305 140 G C -0.277 174.292 174.900 -0.552 0.000 1.311 140 G CA -0.163 44.839 45.100 -0.164 0.000 0.813 140 G HN 0.471 nan 8.290 nan 0.000 0.480 141 G N -1.497 106.977 108.800 -0.544 0.000 3.519 141 G HA2 0.387 4.347 3.960 -0.000 0.000 0.269 141 G HA3 0.387 4.347 3.960 -0.000 0.000 0.269 141 G C -0.265 174.194 174.900 -0.736 0.000 1.028 141 G CA 0.134 44.807 45.100 -0.711 0.000 0.809 141 G HN 0.333 nan 8.290 nan 0.000 0.521 142 Y N 0.253 120.417 120.300 -0.226 0.000 2.699 142 Y HA 0.335 4.885 4.550 -0.000 0.000 0.282 142 Y C 1.070 177.045 175.900 0.125 0.000 1.058 142 Y CA -1.492 56.595 58.100 -0.022 0.000 1.194 142 Y CB 0.046 38.537 38.460 0.053 0.000 1.193 142 Y HN 0.124 nan 8.280 nan 0.000 0.562 143 Y N -0.820 119.575 120.300 0.158 0.000 2.242 143 Y HA -0.165 4.385 4.550 0.000 0.000 0.291 143 Y C 1.319 177.270 175.900 0.086 0.000 1.137 143 Y CA -0.030 58.161 58.100 0.152 0.000 1.181 143 Y CB -0.716 37.849 38.460 0.175 0.000 0.989 143 Y HN 0.185 nan 8.280 nan 0.000 0.527 144 N N 0.454 119.281 118.700 0.211 0.000 2.411 144 N HA 0.214 4.954 4.740 -0.000 0.000 0.261 144 N C 1.043 176.604 175.510 0.084 0.000 1.248 144 N CA 1.441 54.562 53.050 0.117 0.000 0.885 144 N CB 0.304 38.842 38.487 0.085 0.000 1.062 144 N HN 0.533 nan 8.380 nan 0.000 0.471 145 G N 1.708 110.519 108.800 0.018 0.000 2.176 145 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.232 145 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.232 145 G C 0.816 175.592 174.900 -0.207 0.000 0.986 145 G CA 0.643 45.724 45.100 -0.031 0.000 0.643 145 G HN 0.770 nan 8.290 nan 0.000 0.522 146 T N -2.185 112.214 114.554 -0.258 0.000 3.113 146 T HA 0.254 4.604 4.350 -0.000 0.000 0.256 146 T C 1.932 176.430 174.700 -0.336 0.000 1.131 146 T CA 1.026 62.763 62.100 -0.605 0.000 1.074 146 T CB 0.025 68.787 68.868 -0.176 0.000 0.944 146 T HN 0.372 nan 8.240 nan 0.000 0.516 147 R N 0.987 121.333 120.500 -0.257 0.000 2.161 147 R HA 0.196 4.536 4.340 -0.000 0.000 0.213 147 R C 1.565 177.758 176.300 -0.178 0.000 1.055 147 R CA 0.493 56.355 56.100 -0.396 0.000 0.996 147 R CB -0.382 29.692 30.300 -0.376 0.000 0.901 147 R HN 0.515 nan 8.270 nan 0.000 0.456 148 G N 0.104 108.866 108.800 -0.065 0.000 2.606 148 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.252 148 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.252 148 G C -0.098 174.913 174.900 0.185 0.000 1.206 148 G CA -0.404 44.718 45.100 0.037 0.000 0.861 148 G HN 0.048 nan 8.290 nan 0.000 0.561 149 D N -0.404 120.062 120.400 0.110 0.000 2.338 149 D HA 0.040 4.680 4.640 -0.000 0.000 0.224 149 D C 0.926 177.267 176.300 0.068 0.000 0.967 149 D CA 0.583 54.657 54.000 0.123 0.000 0.896 149 D CB 0.449 41.293 40.800 0.073 0.000 1.028 149 D HN 0.268 nan 8.370 nan 0.000 0.493 150 R N 1.324 121.756 120.500 -0.113 0.000 2.294 150 R HA 0.420 4.760 4.340 -0.000 0.000 0.319 150 R C -0.468 175.792 176.300 -0.067 0.000 0.984 150 R CA -0.384 55.502 56.100 -0.358 0.000 0.861 150 R CB 1.139 30.898 30.300 -0.900 0.000 1.104 150 R HN 0.158 nan 8.270 nan 0.000 0.451 151 N N -0.223 118.551 118.700 0.124 0.000 3.179 151 N HA 0.108 4.848 4.740 -0.000 0.000 0.250 151 N C -0.588 175.073 175.510 0.252 0.000 1.507 151 N CA -1.039 52.111 53.050 0.166 0.000 0.883 151 N CB 0.872 39.470 38.487 0.185 0.000 1.435 151 N HN 0.159 nan 8.380 nan 0.000 0.532 152 K N -0.385 120.125 120.400 0.183 0.000 2.486 152 K HA 0.246 4.566 4.320 -0.000 0.000 0.194 152 K C 0.633 177.339 176.600 0.177 0.000 1.033 152 K CA 0.653 57.039 56.287 0.166 0.000 1.004 152 K CB -0.268 32.295 32.500 0.104 0.000 0.798 152 K HN 0.422 nan 8.250 nan 0.000 0.495 153 L N -0.114 121.238 121.223 0.216 0.000 2.556 153 L HA 0.114 4.454 4.340 -0.000 0.000 0.226 153 L C 0.807 177.984 176.870 0.512 0.000 1.089 153 L CA -0.323 54.683 54.840 0.275 0.000 0.864 153 L CB 0.211 42.376 42.059 0.175 0.000 1.067 153 L HN -0.046 nan 8.230 nan 0.000 0.477 154 R N 0.281 120.999 120.500 0.364 0.000 2.570 154 R HA 0.110 4.450 4.340 -0.000 0.000 0.277 154 R C -1.052 175.425 176.300 0.294 0.000 1.039 154 R CA 0.613 56.880 56.100 0.279 0.000 1.065 154 R CB 0.037 30.454 30.300 0.194 0.000 0.964 154 R HN 0.045 nan 8.270 nan 0.000 0.428 155 H N 1.773 120.923 119.070 0.132 0.000 2.806 155 H HA 0.321 4.877 4.556 -0.000 0.000 0.367 155 H C -1.263 174.063 175.328 -0.003 0.000 1.136 155 H CA -0.829 55.285 56.048 0.110 0.000 1.178 155 H CB 1.372 31.261 29.762 0.213 0.000 1.718 155 H HN 0.413 nan 8.280 nan 0.000 0.540 156 L N 4.163 125.451 121.223 0.108 0.000 2.360 156 L HA 0.356 4.696 4.340 -0.000 0.000 0.276 156 L C -0.804 176.093 176.870 0.044 0.000 1.121 156 L CA -0.077 54.823 54.840 0.100 0.000 0.845 156 L CB -0.475 41.675 42.059 0.151 0.000 1.143 156 L HN 0.588 nan 8.230 nan 0.000 0.452 157 I N 2.132 122.653 120.570 -0.080 0.000 3.002 157 I HA 0.950 5.120 4.170 -0.000 0.000 0.310 157 I C -0.390 175.613 176.117 -0.190 0.000 1.087 157 I CA -0.423 60.704 61.300 -0.289 0.000 1.017 157 I CB 2.166 39.745 38.000 -0.701 0.000 1.226 157 I HN 0.623 nan 8.210 nan 0.000 0.443 158 S N 2.156 117.654 115.700 -0.337 0.000 2.579 158 S HA 0.931 5.401 4.470 -0.000 0.000 0.272 158 S C -0.723 173.607 174.600 -0.450 0.000 1.141 158 S CA -0.271 57.605 58.200 -0.540 0.000 0.843 158 S CB 1.473 64.132 63.200 -0.902 0.000 1.122 158 S HN 1.735 nan 8.310 nan 0.000 0.468 159 V N -1.127 118.526 119.914 -0.435 0.000 3.102 159 V HA 0.688 4.808 4.120 -0.000 0.000 0.312 159 V C -0.204 175.721 176.094 -0.282 0.000 1.135 159 V CA -1.345 60.776 62.300 -0.298 0.000 1.022 159 V CB 1.476 33.176 31.823 -0.204 0.000 1.056 159 V HN 1.221 nan 8.190 nan 0.000 0.436 160 K N 1.576 121.858 120.400 -0.197 0.000 2.484 160 K HA 0.182 4.502 4.320 -0.000 0.000 0.280 160 K C -0.292 176.254 176.600 -0.089 0.000 1.013 160 K CA -0.435 55.770 56.287 -0.138 0.000 1.029 160 K CB 0.532 32.980 32.500 -0.087 0.000 0.902 160 K HN 0.769 nan 8.250 nan 0.000 0.481 161 L N 5.149 126.329 121.223 -0.071 0.000 2.584 161 L HA 0.080 4.419 4.340 -0.000 0.000 0.272 161 L C 0.990 177.846 176.870 -0.024 0.000 1.195 161 L CA 2.138 56.950 54.840 -0.048 0.000 0.920 161 L CB 0.260 42.284 42.059 -0.058 0.000 1.173 161 L HN 0.999 nan 8.230 nan 0.000 0.489 162 G N 2.919 111.711 108.800 -0.014 0.000 2.428 162 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.199 162 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.199 162 G C 0.199 175.098 174.900 -0.002 0.000 1.005 162 G CA -0.318 44.780 45.100 -0.003 0.000 0.671 162 G HN 0.525 nan 8.290 nan 0.000 0.485 163 K N 1.098 121.489 120.400 -0.016 0.000 2.118 163 K HA 0.564 4.884 4.320 -0.000 0.000 0.264 163 K C 0.412 177.005 176.600 -0.013 0.000 1.000 163 K CA -0.655 55.613 56.287 -0.033 0.000 0.929 163 K CB 1.226 33.687 32.500 -0.064 0.000 1.021 163 K HN 0.191 nan 8.250 nan 0.000 0.463 164 I N 4.487 125.038 120.570 -0.032 0.000 2.371 164 I HA 0.096 4.266 4.170 -0.000 0.000 0.290 164 I C -1.899 174.178 176.117 -0.066 0.000 1.028 164 I CA -2.652 58.640 61.300 -0.013 0.000 1.345 164 I CB 0.659 38.648 38.000 -0.018 0.000 1.407 164 I HN 0.142 nan 8.210 nan 0.000 0.501 165 P HA 0.082 nan 4.420 nan 0.000 0.256 165 P C 0.037 177.251 177.300 -0.144 0.000 1.688 165 P CA -0.061 62.944 63.100 -0.157 0.000 1.162 165 P CB -0.477 31.085 31.700 -0.230 0.000 1.870 166 T N -1.840 112.642 114.554 -0.120 0.000 2.884 166 T HA 0.255 4.605 4.350 -0.000 0.000 0.277 166 T C 1.441 176.098 174.700 -0.072 0.000 0.976 166 T CA -0.698 61.345 62.100 -0.096 0.000 0.956 166 T CB 0.337 69.150 68.868 -0.090 0.000 1.113 166 T HN -0.082 nan 8.240 nan 0.000 0.554 167 V N 1.120 121.015 119.914 -0.031 0.000 2.252 167 V HA -0.181 3.939 4.120 -0.000 0.000 0.249 167 V C 2.815 178.916 176.094 0.012 0.000 1.056 167 V CA 2.274 64.585 62.300 0.018 0.000 1.022 167 V CB -0.934 30.902 31.823 0.021 0.000 0.641 167 V HN 0.922 nan 8.190 nan 0.000 0.445 168 E N -0.382 119.802 120.200 -0.026 0.000 2.076 168 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 168 E C 2.109 178.676 176.600 -0.055 0.000 0.979 168 E CA 1.028 57.405 56.400 -0.038 0.000 0.807 168 E CB -0.197 29.474 29.700 -0.047 0.000 0.761 168 E HN 0.515 nan 8.360 nan 0.000 0.454 169 N N 0.709 119.363 118.700 -0.076 0.000 2.188 169 N HA -0.044 4.696 4.740 -0.000 0.000 0.184 169 N C 0.384 175.820 175.510 -0.124 0.000 1.018 169 N CA 0.479 53.470 53.050 -0.097 0.000 0.858 169 N CB -0.079 38.344 38.487 -0.106 0.000 0.989 169 N HN -0.090 nan 8.380 nan 0.000 0.426 170 S N 0.391 116.008 115.700 -0.138 0.000 2.579 170 S HA 0.179 4.649 4.470 -0.000 0.000 0.275 170 S C 0.351 174.854 174.600 -0.163 0.000 1.345 170 S CA -0.335 57.737 58.200 -0.214 0.000 1.031 170 S CB 1.064 64.076 63.200 -0.314 0.000 0.892 170 S HN 0.191 nan 8.310 nan 0.000 0.529 171 I N 1.675 122.078 120.570 -0.278 0.000 2.474 171 I HA 0.479 4.649 4.170 -0.000 0.000 0.294 171 I C -1.454 174.411 176.117 -0.420 0.000 1.005 171 I CA -0.979 60.158 61.300 -0.272 0.000 1.113 171 I CB 0.849 38.626 38.000 -0.372 0.000 1.289 171 I HN 0.486 nan 8.210 nan 0.000 0.436 172 F N 6.520 126.219 119.950 -0.418 0.000 2.391 172 F HA 0.345 4.872 4.527 0.000 0.000 0.359 172 F C 1.240 176.868 175.800 -0.286 0.000 1.122 172 F CA -0.388 57.429 58.000 -0.304 0.000 1.120 172 F CB 0.718 39.581 39.000 -0.229 0.000 1.142 172 F HN 0.549 nan 8.300 nan 0.000 0.483 173 H N 3.688 122.773 119.070 0.025 0.000 2.370 173 H HA 0.191 4.747 4.556 -0.000 0.000 0.304 173 H C 0.460 175.858 175.328 0.117 0.000 1.055 173 H CA 1.190 57.190 56.048 -0.080 0.000 1.373 173 H CB 0.537 30.110 29.762 -0.316 0.000 1.423 173 H HN 0.575 nan 8.280 nan 0.000 0.533 174 M N -1.424 118.362 119.600 0.310 0.000 2.755 174 M HA 0.560 5.040 4.480 -0.000 0.000 0.276 174 M C -1.676 174.613 176.300 -0.018 0.000 1.129 174 M CA -0.895 54.557 55.300 0.253 0.000 0.832 174 M CB 2.094 34.871 32.600 0.294 0.000 1.700 174 M HN -0.076 nan 8.290 nan 0.000 0.518 175 A N 1.874 124.498 122.820 -0.327 0.000 2.520 175 A HA 0.702 5.022 4.320 -0.000 0.000 0.245 175 A C 0.095 177.488 177.584 -0.318 0.000 1.072 175 A CA 0.496 52.136 52.037 -0.662 0.000 0.761 175 A CB -0.547 18.196 19.000 -0.428 0.000 1.004 175 A HN 1.992 nan 8.150 nan 0.000 0.499 176 A N 2.767 125.426 122.820 -0.268 0.000 2.560 176 A HA 0.509 4.829 4.320 -0.000 0.000 0.300 176 A C -0.187 177.337 177.584 -0.101 0.000 1.062 176 A CA -0.197 51.685 52.037 -0.257 0.000 0.767 176 A CB 0.155 19.076 19.000 -0.132 0.000 1.288 176 A HN 1.560 nan 8.150 nan 0.000 0.396 177 W N 1.514 122.819 121.300 0.009 0.000 3.132 177 W HA 0.536 5.196 4.660 -0.000 0.000 0.364 177 W C 0.026 176.567 176.519 0.038 0.000 1.129 177 W CA 0.292 57.647 57.345 0.017 0.000 1.815 177 W CB 0.185 29.658 29.460 0.022 0.000 1.099 177 W HN 0.799 nan 8.180 nan 0.000 0.605 178 S N 0.437 116.214 115.700 0.128 0.000 2.546 178 S HA 0.738 5.208 4.470 -0.000 0.000 0.272 178 S C -0.558 174.046 174.600 0.007 0.000 1.140 178 S CA -0.155 58.135 58.200 0.150 0.000 0.920 178 S CB 1.572 64.901 63.200 0.216 0.000 1.083 178 S HN 0.262 nan 8.310 nan 0.000 0.476 179 G N 1.064 109.885 108.800 0.035 0.000 2.642 179 G HA2 0.775 4.735 3.960 -0.000 0.000 0.293 179 G HA3 0.775 4.735 3.960 -0.000 0.000 0.293 179 G C -1.202 173.596 174.900 -0.169 0.000 1.341 179 G CA -0.480 44.624 45.100 0.006 0.000 0.916 179 G HN 0.937 nan 8.290 nan 0.000 0.474 180 S N -1.623 113.974 115.700 -0.172 0.000 2.611 180 S HA 0.901 5.371 4.470 -0.000 0.000 0.268 180 S C -1.152 173.344 174.600 -0.172 0.000 1.156 180 S CA 0.382 58.333 58.200 -0.414 0.000 0.817 180 S CB 1.443 64.440 63.200 -0.338 0.000 1.122 180 S HN 2.358 nan 8.310 nan 0.000 0.466 181 A N 0.480 123.201 122.820 -0.165 0.000 2.597 181 A HA 0.826 5.146 4.320 -0.000 0.000 0.292 181 A C -0.932 176.701 177.584 0.082 0.000 1.057 181 A CA -0.160 51.806 52.037 -0.118 0.000 0.674 181 A CB 0.427 19.095 19.000 -0.554 0.000 1.278 181 A HN 2.239 nan 8.150 nan 0.000 0.416 182 c N -0.762 117.928 118.600 0.151 0.000 3.303 182 c HA 0.823 5.393 4.570 -0.000 0.000 0.340 182 c C -0.844 173.237 174.090 -0.014 0.000 1.274 182 c CA -0.776 55.652 56.329 0.165 0.000 1.234 182 c CB 0.522 43.088 42.510 0.094 0.000 1.532 182 c HN 1.340 nan 8.230 nan 0.000 0.483 183 H N 0.612 119.475 119.070 -0.345 0.000 2.466 183 H HA 0.566 5.122 4.556 -0.000 0.000 0.338 183 H C 0.421 175.589 175.328 -0.267 0.000 1.091 183 H CA 0.247 55.915 56.048 -0.633 0.000 1.207 183 H CB 1.474 30.531 29.762 -1.174 0.000 1.466 183 H HN 0.844 nan 8.280 nan 0.000 0.493 184 D N 2.184 122.355 120.400 -0.381 0.000 2.369 184 D HA 0.171 4.811 4.640 -0.000 0.000 0.211 184 D C 1.471 177.823 176.300 0.085 0.000 1.077 184 D CA 0.592 54.552 54.000 -0.067 0.000 0.842 184 D CB 0.605 41.423 40.800 0.030 0.000 0.947 184 D HN 0.805 nan 8.370 nan 0.000 0.509 185 G N 0.392 109.213 108.800 0.035 0.000 2.391 185 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.204 185 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.204 185 G C 1.176 176.108 174.900 0.054 0.000 1.012 185 G CA 0.163 45.343 45.100 0.134 0.000 0.651 185 G HN 0.361 nan 8.290 nan 0.000 0.494 186 K N -0.300 120.039 120.400 -0.101 0.000 2.367 186 K HA 0.441 4.761 4.320 -0.000 0.000 0.198 186 K C 0.413 176.866 176.600 -0.244 0.000 1.132 186 K CA 0.816 57.021 56.287 -0.136 0.000 0.941 186 K CB 0.844 33.230 32.500 -0.189 0.000 1.052 186 K HN 0.238 nan 8.250 nan 0.000 0.507 187 E N -0.856 118.978 120.200 -0.610 0.000 2.390 187 E HA 0.183 4.533 4.350 -0.000 0.000 0.280 187 E C -1.951 174.099 176.600 -0.916 0.000 0.992 187 E CA -0.665 55.330 56.400 -0.675 0.000 0.790 187 E CB 0.575 29.815 29.700 -0.766 0.000 1.248 187 E HN -0.010 nan 8.360 nan 0.000 0.447 188 W N 1.792 122.788 121.300 -0.506 0.000 2.266 188 W HA 0.377 5.037 4.660 -0.000 0.000 0.317 188 W C 0.091 176.228 176.519 -0.636 0.000 1.310 188 W CA -0.014 57.026 57.345 -0.508 0.000 1.207 188 W CB 1.327 30.471 29.460 -0.526 0.000 1.199 188 W HN 0.183 nan 8.180 nan 0.000 0.544 189 T N 4.199 118.624 114.554 -0.216 0.000 2.756 189 T HA 0.307 4.657 4.350 -0.000 0.000 0.290 189 T C -1.102 173.443 174.700 -0.258 0.000 0.985 189 T CA -0.468 61.573 62.100 -0.098 0.000 0.955 189 T CB 0.084 68.982 68.868 0.049 0.000 0.930 189 T HN 0.030 nan 8.240 nan 0.000 0.451 190 Y N 2.507 122.845 120.300 0.063 0.000 2.341 190 Y HA 0.638 5.187 4.550 -0.000 0.000 0.337 190 Y C 0.156 176.036 175.900 -0.033 0.000 1.014 190 Y CA -1.339 56.732 58.100 -0.048 0.000 1.111 190 Y CB 0.910 39.301 38.460 -0.115 0.000 1.194 190 Y HN 0.488 nan 8.280 nan 0.000 0.462 191 I N 2.396 123.013 120.570 0.079 0.000 2.418 191 I HA 0.651 4.821 4.170 -0.000 0.000 0.287 191 I C 0.000 176.117 176.117 -0.000 0.000 1.008 191 I CA -0.335 60.975 61.300 0.017 0.000 1.104 191 I CB 1.940 39.912 38.000 -0.047 0.000 1.264 191 I HN 0.801 nan 8.210 nan 0.000 0.438 192 G N 5.723 114.512 108.800 -0.017 0.000 2.723 192 G HA2 0.595 4.555 3.960 -0.000 0.000 0.295 192 G HA3 0.595 4.555 3.960 -0.000 0.000 0.295 192 G C -1.307 173.476 174.900 -0.196 0.000 1.464 192 G CA -0.387 44.665 45.100 -0.080 0.000 1.012 192 G HN 0.294 nan 8.290 nan 0.000 0.522 193 V N 3.727 123.435 119.914 -0.343 0.000 2.370 193 V HA 0.498 4.618 4.120 -0.000 0.000 0.279 193 V C -0.370 175.028 176.094 -1.160 0.000 1.029 193 V CA -0.663 61.283 62.300 -0.589 0.000 0.870 193 V CB 1.007 32.485 31.823 -0.575 0.000 0.984 193 V HN 0.923 nan 8.190 nan 0.000 0.451 194 D N 3.117 122.980 120.400 -0.894 0.000 2.727 194 D HA 0.840 5.480 4.640 -0.000 0.000 0.264 194 D C 0.134 176.272 176.300 -0.270 0.000 1.101 194 D CA -0.037 53.380 54.000 -0.972 0.000 1.122 194 D CB 1.936 42.457 40.800 -0.465 0.000 1.390 194 D HN 1.047 nan 8.370 nan 0.000 0.606 195 G N -0.875 108.056 108.800 0.218 0.000 2.434 195 G HA2 0.112 4.071 3.960 -0.000 0.000 0.671 195 G HA3 0.112 4.071 3.960 -0.000 0.000 0.671 195 G C -2.946 172.200 174.900 0.409 0.000 1.280 195 G CA -0.513 44.745 45.100 0.263 0.000 0.975 195 G HN 0.672 nan 8.290 nan 0.000 0.510 196 P HA 0.282 nan 4.420 nan 0.000 0.274 196 P C 0.777 178.171 177.300 0.156 0.000 1.237 196 P CA -0.037 63.158 63.100 0.159 0.000 0.793 196 P CB 0.987 32.746 31.700 0.098 0.000 0.977 197 E N 1.264 121.496 120.200 0.052 0.000 2.097 197 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 197 E C 1.375 177.999 176.600 0.041 0.000 1.000 197 E CA 2.071 58.473 56.400 0.002 0.000 0.804 197 E CB -0.356 29.314 29.700 -0.049 0.000 0.740 197 E HN 0.669 nan 8.360 nan 0.000 0.454 198 N N -0.582 118.142 118.700 0.039 0.000 2.398 198 N HA -0.062 4.678 4.740 -0.000 0.000 0.188 198 N C 0.498 176.035 175.510 0.045 0.000 1.122 198 N CA 0.255 53.323 53.050 0.030 0.000 0.866 198 N CB 0.406 38.904 38.487 0.018 0.000 0.970 198 N HN -0.095 nan 8.380 nan 0.000 0.462 199 N N 0.027 118.774 118.700 0.078 0.000 2.704 199 N HA 0.171 4.911 4.740 -0.000 0.000 0.226 199 N C -1.138 174.449 175.510 0.129 0.000 1.368 199 N CA -0.158 52.945 53.050 0.088 0.000 1.385 199 N CB 0.313 38.841 38.487 0.069 0.000 1.500 199 N HN 0.363 nan 8.380 nan 0.000 0.580 200 A N 0.368 123.289 122.820 0.169 0.000 2.455 200 A HA 0.493 4.813 4.320 -0.000 0.000 0.244 200 A C -0.228 177.407 177.584 0.085 0.000 1.099 200 A CA 0.161 52.319 52.037 0.202 0.000 0.786 200 A CB 0.305 19.531 19.000 0.377 0.000 1.051 200 A HN 0.450 nan 8.150 nan 0.000 0.508 201 L N 0.280 121.491 121.223 -0.021 0.000 2.476 201 L HA 0.554 4.894 4.340 -0.000 0.000 0.269 201 L C -0.941 175.847 176.870 -0.137 0.000 0.965 201 L CA -0.270 54.524 54.840 -0.076 0.000 0.845 201 L CB 1.717 43.731 42.059 -0.076 0.000 1.259 201 L HN 0.720 nan 8.230 nan 0.000 0.403 202 L N 5.166 126.341 121.223 -0.080 0.000 2.276 202 L HA 0.530 4.870 4.340 -0.000 0.000 0.286 202 L C -0.833 176.007 176.870 -0.051 0.000 1.061 202 L CA -0.146 54.652 54.840 -0.070 0.000 0.807 202 L CB 0.383 42.445 42.059 0.006 0.000 1.177 202 L HN 0.641 nan 8.230 nan 0.000 0.429 203 K N 6.650 127.023 120.400 -0.046 0.000 2.292 203 K HA 0.558 4.878 4.320 -0.000 0.000 0.257 203 K C -1.188 175.448 176.600 0.061 0.000 0.940 203 K CA -0.562 55.735 56.287 0.016 0.000 0.811 203 K CB 2.339 34.863 32.500 0.039 0.000 1.120 203 K HN 0.515 nan 8.250 nan 0.000 0.428 204 I N 2.198 122.818 120.570 0.085 0.000 2.412 204 I HA 0.335 4.505 4.170 -0.000 0.000 0.296 204 I C -0.322 175.877 176.117 0.138 0.000 0.987 204 I CA -0.759 60.595 61.300 0.091 0.000 1.180 204 I CB 1.533 39.558 38.000 0.042 0.000 1.340 204 I HN 0.438 nan 8.210 nan 0.000 0.455 205 K N 5.281 125.769 120.400 0.147 0.000 2.426 205 K HA 0.374 4.694 4.320 -0.000 0.000 0.254 205 K C -1.868 174.871 176.600 0.232 0.000 0.936 205 K CA -0.655 55.696 56.287 0.108 0.000 0.801 205 K CB 1.672 34.169 32.500 -0.005 0.000 1.139 205 K HN 0.477 nan 8.250 nan 0.000 0.424 206 Y N 4.293 124.612 120.300 0.032 0.000 2.402 206 Y HA 0.332 4.882 4.550 -0.000 0.000 0.332 206 Y C 0.619 176.569 175.900 0.083 0.000 0.960 206 Y CA 0.654 58.775 58.100 0.034 0.000 1.228 206 Y CB 0.990 39.457 38.460 0.011 0.000 1.120 206 Y HN 1.005 nan 8.280 nan 0.000 0.491 207 G N 4.745 113.482 108.800 -0.106 0.000 2.602 207 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.310 207 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.310 207 G C 0.855 175.849 174.900 0.156 0.000 1.183 207 G CA 0.800 45.931 45.100 0.052 0.000 0.979 207 G HN 0.520 nan 8.290 nan 0.000 0.545 208 E N 1.524 121.757 120.200 0.055 0.000 2.472 208 E HA 0.455 4.805 4.350 -0.000 0.000 0.196 208 E C 1.211 177.758 176.600 -0.089 0.000 1.033 208 E CA 0.763 57.163 56.400 0.000 0.000 0.886 208 E CB 0.554 30.271 29.700 0.028 0.000 0.944 208 E HN 0.918 nan 8.360 nan 0.000 0.492 209 A N 1.128 123.925 122.820 -0.039 0.000 2.260 209 A HA 0.428 4.748 4.320 -0.000 0.000 0.314 209 A C -0.921 176.618 177.584 -0.075 0.000 1.257 209 A CA -0.527 51.502 52.037 -0.012 0.000 0.871 209 A CB -0.075 18.981 19.000 0.094 0.000 1.166 209 A HN -0.011 nan 8.150 nan 0.000 0.522 210 Y N 2.284 122.657 120.300 0.122 0.000 2.605 210 Y HA 0.163 4.713 4.550 -0.000 0.000 0.336 210 Y C 1.790 177.743 175.900 0.089 0.000 1.111 210 Y CA 0.945 59.106 58.100 0.103 0.000 1.422 210 Y CB 0.469 38.972 38.460 0.073 0.000 1.193 210 Y HN 0.806 nan 8.280 nan 0.000 0.526 211 T N -2.332 112.329 114.554 0.178 0.000 3.026 211 T HA 0.192 4.542 4.350 -0.000 0.000 0.245 211 T C 0.047 174.796 174.700 0.082 0.000 1.004 211 T CA 0.208 62.377 62.100 0.115 0.000 1.069 211 T CB 0.500 69.417 68.868 0.082 0.000 1.005 211 T HN 0.430 nan 8.240 nan 0.000 0.472 212 D N 0.703 121.150 120.400 0.078 0.000 2.596 212 D HA 0.573 5.213 4.640 -0.000 0.000 0.262 212 D C -1.230 175.095 176.300 0.042 0.000 1.210 212 D CA -0.154 53.875 54.000 0.048 0.000 0.873 212 D CB 2.486 43.299 40.800 0.021 0.000 1.408 212 D HN 0.383 nan 8.370 nan 0.000 0.441 213 T N -1.906 112.655 114.554 0.012 0.000 2.896 213 T HA 0.656 5.006 4.350 -0.000 0.000 0.297 213 T C -1.444 173.243 174.700 -0.022 0.000 1.108 213 T CA -0.663 61.410 62.100 -0.045 0.000 1.004 213 T CB 1.499 70.275 68.868 -0.154 0.000 1.159 213 T HN 0.320 nan 8.240 nan 0.000 0.499 214 Y N 0.701 120.881 120.300 -0.200 0.000 2.512 214 Y HA 0.550 5.100 4.550 -0.000 0.000 0.348 214 Y C -0.372 175.393 175.900 -0.224 0.000 0.990 214 Y CA -0.873 57.133 58.100 -0.156 0.000 1.033 214 Y CB 1.744 40.177 38.460 -0.045 0.000 1.259 214 Y HN 0.808 nan 8.280 nan 0.000 0.461 215 H N 1.966 120.843 119.070 -0.322 0.000 2.479 215 H HA 0.216 4.772 4.556 -0.000 0.000 0.335 215 H C -0.334 174.974 175.328 -0.034 0.000 1.142 215 H CA -0.495 55.467 56.048 -0.144 0.000 1.234 215 H CB 2.106 31.770 29.762 -0.163 0.000 1.503 215 H HN 0.604 nan 8.280 nan 0.000 0.510 216 S N 1.839 117.628 115.700 0.147 0.000 2.546 216 S HA -0.076 4.394 4.470 -0.000 0.000 0.290 216 S C 0.617 175.273 174.600 0.092 0.000 1.290 216 S CA -0.013 58.230 58.200 0.073 0.000 1.069 216 S CB -0.202 63.026 63.200 0.047 0.000 0.846 216 S HN 0.642 nan 8.310 nan 0.000 0.495 217 Y N 2.706 123.065 120.300 0.098 0.000 2.453 217 Y HA 0.680 5.230 4.550 -0.000 0.000 0.247 217 Y C 1.129 177.068 175.900 0.065 0.000 1.124 217 Y CA 0.040 58.188 58.100 0.079 0.000 1.243 217 Y CB -0.211 38.329 38.460 0.134 0.000 1.213 217 Y HN 0.597 nan 8.280 nan 0.000 0.523 218 A N 0.266 122.956 122.820 -0.216 0.000 2.508 218 A HA 0.275 4.594 4.320 -0.000 0.000 0.250 218 A C 0.427 177.969 177.584 -0.070 0.000 1.208 218 A CA 0.062 52.047 52.037 -0.086 0.000 0.960 218 A CB -0.508 18.417 19.000 -0.125 0.000 1.099 218 A HN 0.417 nan 8.150 nan 0.000 0.542 219 N N 0.055 118.710 118.700 -0.076 0.000 2.747 219 N HA -0.165 4.575 4.740 -0.000 0.000 0.249 219 N C -0.534 174.961 175.510 -0.025 0.000 1.107 219 N CA 1.099 54.132 53.050 -0.027 0.000 0.707 219 N CB -1.173 37.312 38.487 -0.003 0.000 1.054 219 N HN 0.430 nan 8.380 nan 0.000 0.555 220 N N 0.852 119.523 118.700 -0.048 0.000 2.710 220 N HA 0.313 5.053 4.740 -0.000 0.000 0.244 220 N C -0.829 174.666 175.510 -0.026 0.000 1.321 220 N CA -0.431 52.600 53.050 -0.032 0.000 0.758 220 N CB 0.172 38.640 38.487 -0.031 0.000 1.284 220 N HN 0.274 nan 8.380 nan 0.000 0.530 221 I N 0.981 121.560 120.570 0.015 0.000 7.356 221 I HA -0.326 3.844 4.170 -0.000 0.000 0.126 221 I C -0.055 176.141 176.117 0.131 0.000 1.829 221 I CA -0.035 61.311 61.300 0.077 0.000 2.068 221 I CB -0.813 37.170 38.000 -0.027 0.000 3.620 221 I HN 0.353 nan 8.210 nan 0.000 0.179 222 L N 5.332 126.643 121.223 0.147 0.000 2.578 222 L HA 0.272 4.612 4.340 -0.000 0.000 0.279 222 L C 0.600 177.592 176.870 0.204 0.000 1.227 222 L CA 1.188 56.082 54.840 0.091 0.000 0.900 222 L CB 0.297 42.400 42.059 0.074 0.000 1.144 222 L HN 0.426 nan 8.230 nan 0.000 0.496 223 R N 2.449 123.023 120.500 0.123 0.000 2.698 223 R HA 0.590 4.930 4.340 -0.000 0.000 0.275 223 R C -0.727 175.603 176.300 0.049 0.000 1.001 223 R CA -0.411 55.778 56.100 0.149 0.000 0.896 223 R CB 2.068 32.447 30.300 0.133 0.000 1.218 223 R HN 0.802 nan 8.270 nan 0.000 0.462 224 T N -0.778 113.793 114.554 0.029 0.000 2.678 224 T HA 0.181 4.531 4.350 -0.000 0.000 0.260 224 T C 0.524 175.191 174.700 -0.054 0.000 0.932 224 T CA -0.337 61.734 62.100 -0.049 0.000 1.043 224 T CB 1.448 70.262 68.868 -0.090 0.000 1.413 224 T HN 0.573 nan 8.240 nan 0.000 0.568 225 Q N -0.003 119.725 119.800 -0.119 0.000 2.167 225 Q HA -0.019 4.321 4.340 -0.000 0.000 0.202 225 Q C -0.036 175.897 176.000 -0.112 0.000 0.970 225 Q CA 0.949 56.680 55.803 -0.121 0.000 0.855 225 Q CB 0.072 28.716 28.738 -0.157 0.000 0.911 225 Q HN 0.609 nan 8.270 nan 0.000 0.438 226 E N 0.045 120.145 120.200 -0.167 0.000 2.660 226 E HA -0.189 4.161 4.350 -0.000 0.000 0.260 226 E C -0.448 175.923 176.600 -0.381 0.000 1.122 226 E CA 1.232 57.539 56.400 -0.156 0.000 0.755 226 E CB -2.179 27.628 29.700 0.179 0.000 1.345 226 E HN 0.456 nan 8.360 nan 0.000 0.421 227 S N -2.499 112.806 115.700 -0.658 0.000 2.656 227 S HA 0.763 5.233 4.470 -0.000 0.000 0.273 227 S C -0.190 174.001 174.600 -0.681 0.000 1.168 227 S CA -0.630 57.179 58.200 -0.651 0.000 0.817 227 S CB 1.928 65.128 63.200 -0.001 0.000 1.146 227 S HN 0.586 nan 8.310 nan 0.000 0.475 228 A N 0.669 123.380 122.820 -0.182 0.000 2.567 228 A HA 0.441 4.761 4.320 -0.000 0.000 0.240 228 A C 0.996 178.588 177.584 0.013 0.000 1.053 228 A CA -0.068 51.998 52.037 0.048 0.000 0.755 228 A CB -1.537 17.655 19.000 0.319 0.000 0.978 228 A HN 1.537 nan 8.150 nan 0.000 0.507 229 c N 1.912 120.513 118.600 0.001 0.000 2.641 229 c HA 0.609 5.179 4.570 -0.000 0.000 0.318 229 c C 0.307 174.450 174.090 0.088 0.000 1.490 229 c CA -1.286 55.057 56.329 0.024 0.000 2.260 229 c CB 0.035 42.541 42.510 -0.007 0.000 2.103 229 c HN 0.801 nan 8.230 nan 0.000 0.641 230 N N -0.439 118.319 118.700 0.096 0.000 2.500 230 N HA 0.381 5.121 4.740 -0.000 0.000 0.291 230 N C -1.638 174.049 175.510 0.294 0.000 1.092 230 N CA -0.130 53.017 53.050 0.161 0.000 0.890 230 N CB 1.756 40.137 38.487 -0.176 0.000 1.466 230 N HN 0.754 nan 8.380 nan 0.000 0.507 231 c N 2.493 121.300 118.600 0.344 0.000 2.355 231 c HA 0.679 5.249 4.570 -0.000 0.000 0.332 231 c C 0.575 174.765 174.090 0.167 0.000 1.255 231 c CA -0.792 55.660 56.329 0.205 0.000 1.792 231 c CB -0.059 42.465 42.510 0.023 0.000 2.300 231 c HN 0.695 nan 8.230 nan 0.000 0.515 232 I N 1.854 122.452 120.570 0.048 0.000 2.534 232 I HA 0.570 4.740 4.170 -0.000 0.000 0.286 232 I C 0.712 176.590 176.117 -0.398 0.000 1.094 232 I CA 0.644 61.809 61.300 -0.224 0.000 1.055 232 I CB 1.140 39.120 38.000 -0.034 0.000 1.225 232 I HN 0.964 nan 8.210 nan 0.000 0.435 233 G N 4.482 112.781 108.800 -0.835 0.000 2.203 233 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.263 233 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.263 233 G C 1.066 175.298 174.900 -1.113 0.000 1.012 233 G CA 0.529 45.192 45.100 -0.728 0.000 0.749 233 G HN 2.050 nan 8.290 nan 0.000 0.512 234 G N -1.446 106.698 108.800 -1.094 0.000 2.213 234 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.236 234 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.236 234 G C 0.121 174.537 174.900 -0.806 0.000 0.991 234 G CA 0.377 44.527 45.100 -1.582 0.000 0.629 234 G HN 1.072 nan 8.290 nan 0.000 0.517 235 N N 0.955 119.342 118.700 -0.523 0.000 2.437 235 N HA 0.452 5.192 4.740 -0.000 0.000 0.243 235 N C -0.118 175.235 175.510 -0.261 0.000 1.041 235 N CA 0.181 53.000 53.050 -0.385 0.000 0.940 235 N CB 0.898 39.231 38.487 -0.257 0.000 1.133 235 N HN 0.310 nan 8.380 nan 0.000 0.506 236 c N 3.038 121.446 118.600 -0.321 0.000 2.307 236 c HA 0.438 5.008 4.570 -0.000 0.000 0.340 236 c C 0.069 173.998 174.090 -0.268 0.000 1.275 236 c CA -0.762 55.473 56.329 -0.157 0.000 1.811 236 c CB -1.293 41.144 42.510 -0.122 0.000 2.372 236 c HN 0.548 nan 8.230 nan 0.000 0.531 237 Y N 2.442 122.718 120.300 -0.039 0.000 2.409 237 Y HA 0.726 5.276 4.550 0.000 0.000 0.339 237 Y C -0.060 175.863 175.900 0.039 0.000 1.033 237 Y CA -0.861 57.235 58.100 -0.006 0.000 1.094 237 Y CB 1.308 39.744 38.460 -0.039 0.000 1.210 237 Y HN 0.532 nan 8.280 nan 0.000 0.456 238 L N 4.485 125.835 121.223 0.212 0.000 2.493 238 L HA 0.486 4.826 4.340 -0.000 0.000 0.265 238 L C -1.291 175.477 176.870 -0.169 0.000 0.954 238 L CA -0.775 54.077 54.840 0.020 0.000 0.844 238 L CB 1.913 43.917 42.059 -0.091 0.000 1.302 238 L HN 0.742 nan 8.230 nan 0.000 0.405 239 M N 6.165 125.518 119.600 -0.412 0.000 2.249 239 M HA 0.568 5.048 4.480 -0.000 0.000 0.351 239 M C -0.990 175.038 176.300 -0.452 0.000 1.180 239 M CA -0.452 54.297 55.300 -0.918 0.000 1.127 239 M CB 0.905 32.996 32.600 -0.849 0.000 1.546 239 M HN 0.721 nan 8.290 nan 0.000 0.461 240 I N 0.641 120.970 120.570 -0.401 0.000 2.865 240 I HA 0.737 4.907 4.170 -0.000 0.000 0.302 240 I C -1.029 175.058 176.117 -0.050 0.000 1.140 240 I CA -0.513 60.692 61.300 -0.158 0.000 1.021 240 I CB 2.558 40.502 38.000 -0.092 0.000 1.233 240 I HN 0.624 nan 8.210 nan 0.000 0.427 241 T N 1.511 116.079 114.554 0.024 0.000 2.841 241 T HA 0.512 4.862 4.350 -0.000 0.000 0.296 241 T C -2.020 172.661 174.700 -0.032 0.000 1.166 241 T CA -0.236 61.903 62.100 0.065 0.000 1.007 241 T CB 1.839 70.703 68.868 -0.006 0.000 1.253 241 T HN 0.886 nan 8.240 nan 0.000 0.511 242 D N -0.486 119.827 120.400 -0.145 0.000 2.886 242 D HA 0.632 5.272 4.640 -0.000 0.000 0.216 242 D C -0.379 175.798 176.300 -0.205 0.000 1.256 242 D CA 0.822 54.631 54.000 -0.319 0.000 0.844 242 D CB 1.789 42.026 40.800 -0.940 0.000 1.669 242 D HN 1.101 nan 8.370 nan 0.000 0.513 243 G N 0.702 109.421 108.800 -0.134 0.000 2.347 243 G HA2 0.251 4.211 3.960 -0.000 0.000 0.477 243 G HA3 0.251 4.211 3.960 -0.000 0.000 0.477 243 G C -0.878 173.999 174.900 -0.038 0.000 1.349 243 G CA -0.268 44.786 45.100 -0.078 0.000 1.000 243 G HN 0.471 nan 8.290 nan 0.000 0.605 244 S N -0.258 115.441 115.700 -0.001 0.000 2.549 244 S HA 0.450 4.919 4.470 -0.000 0.000 0.286 244 S C 1.864 176.521 174.600 0.094 0.000 1.314 244 S CA 0.965 59.183 58.200 0.031 0.000 1.062 244 S CB 0.764 63.985 63.200 0.036 0.000 0.865 244 S HN 2.086 nan 8.310 nan 0.000 0.498 245 A N 4.225 127.094 122.820 0.082 0.000 2.024 245 A HA -0.016 4.304 4.320 -0.000 0.000 0.220 245 A C 2.021 179.634 177.584 0.048 0.000 1.164 245 A CA 1.855 53.963 52.037 0.117 0.000 0.643 245 A CB -0.371 18.654 19.000 0.042 0.000 0.806 245 A HN 0.755 nan 8.150 nan 0.000 0.451 246 S N -1.940 113.756 115.700 -0.005 0.000 2.559 246 S HA 0.427 4.897 4.470 -0.000 0.000 0.226 246 S C 0.902 175.426 174.600 -0.126 0.000 1.000 246 S CA 0.165 58.302 58.200 -0.105 0.000 0.948 246 S CB 0.654 63.809 63.200 -0.075 0.000 0.870 246 S HN 0.793 nan 8.310 nan 0.000 0.497 247 G N 1.135 109.940 108.800 0.009 0.000 3.291 247 G HA2 0.515 4.475 3.960 -0.000 0.000 0.173 247 G HA3 0.515 4.475 3.960 -0.000 0.000 0.173 247 G C -0.810 174.270 174.900 0.299 0.000 1.099 247 G CA -0.652 44.509 45.100 0.102 0.000 0.794 247 G HN 0.150 nan 8.290 nan 0.000 0.651 248 I N 1.924 122.645 120.570 0.252 0.000 2.517 248 I HA 0.291 4.461 4.170 -0.000 0.000 0.285 248 I C -0.246 175.877 176.117 0.010 0.000 1.106 248 I CA 0.377 61.796 61.300 0.197 0.000 1.402 248 I CB 0.452 38.530 38.000 0.130 0.000 1.399 248 I HN 0.045 nan 8.210 nan 0.000 0.535 249 S N 5.900 121.491 115.700 -0.182 0.000 2.539 249 S HA 0.213 4.683 4.470 -0.000 0.000 0.235 249 S C -0.096 174.421 174.600 -0.139 0.000 1.326 249 S CA -0.701 57.313 58.200 -0.309 0.000 1.183 249 S CB 0.830 63.584 63.200 -0.744 0.000 1.073 249 S HN 0.565 nan 8.310 nan 0.000 0.480 250 E N 2.552 122.772 120.200 0.034 0.000 2.089 250 E HA 0.289 4.639 4.350 -0.000 0.000 0.284 250 E C 0.376 177.088 176.600 0.187 0.000 1.023 250 E CA -0.633 55.832 56.400 0.108 0.000 0.819 250 E CB 0.366 30.144 29.700 0.130 0.000 1.076 250 E HN 0.801 nan 8.360 nan 0.000 0.396 251 C N 3.305 122.679 119.300 0.124 0.000 2.580 251 C HA 0.618 5.078 4.460 -0.000 0.000 0.371 251 C C 0.234 175.283 174.990 0.098 0.000 1.308 251 C CA -0.741 58.340 59.018 0.105 0.000 2.428 251 C CB 0.260 27.993 27.740 -0.012 0.000 2.529 251 C HN 0.795 nan 8.230 nan 0.000 0.657 252 R N -0.057 120.438 120.500 -0.008 0.000 2.867 252 R HA 0.694 5.034 4.340 -0.000 0.000 0.268 252 R C -1.653 174.499 176.300 -0.246 0.000 1.014 252 R CA -0.443 55.622 56.100 -0.059 0.000 0.946 252 R CB 1.612 31.814 30.300 -0.163 0.000 1.208 252 R HN 0.730 nan 8.270 nan 0.000 0.477 253 F N 1.191 121.052 119.950 -0.148 0.000 2.495 253 F HA 0.469 4.996 4.527 -0.000 0.000 0.327 253 F C -0.283 175.380 175.800 -0.228 0.000 1.103 253 F CA -0.750 57.168 58.000 -0.135 0.000 0.949 253 F CB 1.492 40.464 39.000 -0.047 0.000 1.142 253 F HN 0.020 nan 8.300 nan 0.000 0.457 254 L N 3.524 124.689 121.223 -0.096 0.000 2.307 254 L HA 0.461 4.801 4.340 -0.000 0.000 0.284 254 L C -0.252 176.493 176.870 -0.209 0.000 1.023 254 L CA -0.834 53.875 54.840 -0.218 0.000 0.810 254 L CB 1.675 43.539 42.059 -0.326 0.000 1.231 254 L HN 0.511 nan 8.230 nan 0.000 0.423 255 K N 4.524 124.745 120.400 -0.298 0.000 2.264 255 K HA 0.553 4.873 4.320 -0.000 0.000 0.277 255 K C -1.069 175.294 176.600 -0.396 0.000 1.067 255 K CA -0.375 55.592 56.287 -0.532 0.000 0.900 255 K CB 0.611 32.804 32.500 -0.512 0.000 1.124 255 K HN 0.497 nan 8.250 nan 0.000 0.469 256 I N 4.211 124.540 120.570 -0.402 0.000 2.406 256 I HA 0.375 4.545 4.170 -0.000 0.000 0.290 256 I C -0.236 175.679 176.117 -0.337 0.000 0.999 256 I CA -0.768 60.354 61.300 -0.297 0.000 1.124 256 I CB 1.821 39.686 38.000 -0.225 0.000 1.289 256 I HN 0.433 nan 8.210 nan 0.000 0.441 257 R N 5.617 125.924 120.500 -0.323 0.000 2.439 257 R HA 0.333 4.673 4.340 -0.000 0.000 0.310 257 R C -0.407 175.645 176.300 -0.414 0.000 0.955 257 R CA -0.310 55.567 56.100 -0.372 0.000 0.853 257 R CB 0.893 30.992 30.300 -0.335 0.000 1.171 257 R HN 0.708 nan 8.270 nan 0.000 0.449 258 E N 2.692 122.531 120.200 -0.601 0.000 2.360 258 E HA -0.269 4.081 4.350 -0.000 0.000 0.238 258 E C 0.449 176.390 176.600 -1.098 0.000 1.186 258 E CA 0.780 56.499 56.400 -1.135 0.000 0.719 258 E CB -1.081 28.311 29.700 -0.512 0.000 1.236 258 E HN 1.184 nan 8.360 nan 0.000 0.386 259 G N -0.148 108.209 108.800 -0.738 0.000 2.175 259 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.244 259 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.244 259 G C 0.177 174.978 174.900 -0.166 0.000 0.982 259 G CA 0.402 45.322 45.100 -0.299 0.000 0.641 259 G HN 0.264 nan 8.290 nan 0.000 0.527 260 R N -0.283 120.094 120.500 -0.205 0.000 2.534 260 R HA 0.592 4.932 4.340 -0.000 0.000 0.301 260 R C 0.194 176.414 176.300 -0.133 0.000 0.961 260 R CA -0.983 55.044 56.100 -0.122 0.000 0.871 260 R CB 1.518 31.761 30.300 -0.094 0.000 1.170 260 R HN 0.228 nan 8.270 nan 0.000 0.446 261 I N 5.094 125.610 120.570 -0.089 0.000 2.587 261 I HA -0.043 4.127 4.170 -0.000 0.000 0.284 261 I C 1.504 177.566 176.117 -0.091 0.000 1.134 261 I CA 0.549 61.789 61.300 -0.100 0.000 1.410 261 I CB 0.438 38.418 38.000 -0.034 0.000 1.392 261 I HN 0.697 nan 8.210 nan 0.000 0.545 262 I N 2.662 123.152 120.570 -0.134 0.000 4.181 262 I HA 0.377 4.547 4.170 -0.000 0.000 0.331 262 I C 0.481 176.539 176.117 -0.099 0.000 1.312 262 I CA -0.049 61.186 61.300 -0.109 0.000 1.146 262 I CB 0.157 38.077 38.000 -0.133 0.000 1.074 262 I HN 0.435 nan 8.210 nan 0.000 0.402 263 K N 1.659 121.983 120.400 -0.127 0.000 2.557 263 K HA 0.423 4.743 4.320 -0.000 0.000 0.261 263 K C -1.424 175.072 176.600 -0.172 0.000 0.932 263 K CA -0.451 55.762 56.287 -0.123 0.000 0.829 263 K CB 2.377 34.807 32.500 -0.115 0.000 1.358 263 K HN 0.078 nan 8.250 nan 0.000 0.430 264 E N 3.387 123.455 120.200 -0.219 0.000 2.156 264 E HA 0.357 4.707 4.350 -0.000 0.000 0.279 264 E C -0.741 175.495 176.600 -0.607 0.000 0.965 264 E CA -0.551 55.601 56.400 -0.414 0.000 0.789 264 E CB 1.704 31.121 29.700 -0.471 0.000 1.098 264 E HN 0.345 nan 8.360 nan 0.000 0.397 265 I N 3.769 124.042 120.570 -0.494 0.000 2.355 265 I HA 0.252 4.422 4.170 -0.000 0.000 0.288 265 I C -0.915 174.988 176.117 -0.357 0.000 0.999 265 I CA -0.720 60.376 61.300 -0.340 0.000 1.163 265 I CB 0.577 38.540 38.000 -0.062 0.000 1.316 265 I HN 0.381 nan 8.210 nan 0.000 0.454 266 F N 6.866 126.843 119.950 0.046 0.000 2.371 266 F HA 0.461 4.988 4.527 -0.000 0.000 0.363 266 F C -1.979 173.855 175.800 0.056 0.000 1.122 266 F CA -2.627 55.395 58.000 0.036 0.000 1.129 266 F CB 0.045 39.048 39.000 0.004 0.000 1.173 266 F HN 0.228 nan 8.300 nan 0.000 0.489 267 P HA 0.228 nan 4.420 nan 0.000 0.272 267 P C -0.127 177.254 177.300 0.135 0.000 1.223 267 P CA -0.325 62.879 63.100 0.173 0.000 0.784 267 P CB 0.738 32.564 31.700 0.210 0.000 0.923 268 T N -1.684 112.927 114.554 0.095 0.000 2.948 268 T HA 0.718 5.068 4.350 -0.000 0.000 0.285 268 T C 0.559 175.270 174.700 0.019 0.000 1.019 268 T CA 0.008 62.141 62.100 0.054 0.000 1.013 268 T CB 1.393 70.287 68.868 0.042 0.000 1.117 268 T HN 0.744 nan 8.240 nan 0.000 0.533 269 G N 0.963 109.751 108.800 -0.021 0.000 2.545 269 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.240 269 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.240 269 G C -0.277 174.581 174.900 -0.069 0.000 1.172 269 G CA -0.251 44.801 45.100 -0.079 0.000 0.949 269 G HN 0.881 nan 8.290 nan 0.000 0.574 270 R N 1.698 122.141 120.500 -0.095 0.000 2.419 270 R HA 0.390 4.730 4.340 -0.000 0.000 0.305 270 R C 1.361 177.658 176.300 -0.006 0.000 1.242 270 R CA 0.688 56.746 56.100 -0.070 0.000 1.105 270 R CB -0.067 30.170 30.300 -0.106 0.000 1.116 270 R HN 1.228 nan 8.270 nan 0.000 0.523 271 V N 1.358 121.276 119.914 0.007 0.000 3.578 271 V HA 0.183 4.303 4.120 -0.000 0.000 0.290 271 V C 1.947 178.076 176.094 0.059 0.000 1.376 271 V CA -0.096 62.234 62.300 0.049 0.000 1.083 271 V CB 0.005 31.861 31.823 0.055 0.000 0.911 271 V HN 0.452 nan 8.190 nan 0.000 0.433 272 K N 0.858 121.278 120.400 0.033 0.000 2.059 272 K HA -0.199 4.121 4.320 -0.000 0.000 0.212 272 K C 0.575 177.297 176.600 0.204 0.000 1.050 272 K CA 2.182 58.489 56.287 0.034 0.000 0.927 272 K CB -0.110 32.313 32.500 -0.129 0.000 0.714 272 K HN 0.776 nan 8.250 nan 0.000 0.447 273 H N -1.152 118.012 119.070 0.156 0.000 3.149 273 H HA 0.214 4.770 4.556 -0.000 0.000 0.334 273 H C -1.849 173.551 175.328 0.121 0.000 1.000 273 H CA -0.600 55.556 56.048 0.181 0.000 1.415 273 H CB 1.681 31.604 29.762 0.269 0.000 1.819 273 H HN -0.076 nan 8.280 nan 0.000 0.486 274 T N 4.956 119.598 114.554 0.148 0.000 2.937 274 T HA 0.323 4.673 4.350 -0.000 0.000 0.297 274 T C -0.996 173.761 174.700 0.095 0.000 0.991 274 T CA -0.950 61.248 62.100 0.164 0.000 0.990 274 T CB 1.452 70.390 68.868 0.118 0.000 0.991 274 T HN 0.737 nan 8.240 nan 0.000 0.440 275 E N 1.099 121.384 120.200 0.142 0.000 2.449 275 E HA 0.541 4.891 4.350 -0.000 0.000 0.278 275 E C -1.135 175.491 176.600 0.043 0.000 0.992 275 E CA -1.261 55.185 56.400 0.077 0.000 0.807 275 E CB 1.128 30.905 29.700 0.128 0.000 1.350 275 E HN 0.475 nan 8.360 nan 0.000 0.462 276 E N -0.288 119.920 120.200 0.013 0.000 2.183 276 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 276 E C -0.759 175.837 176.600 -0.008 0.000 1.364 276 E CA 0.392 56.783 56.400 -0.015 0.000 0.700 276 E CB -1.763 27.897 29.700 -0.067 0.000 1.106 276 E HN 0.424 nan 8.360 nan 0.000 0.347 277 c N 1.083 119.682 118.600 -0.002 0.000 2.648 277 c HA 0.122 4.691 4.570 -0.000 0.000 0.419 277 c C 1.217 175.352 174.090 0.076 0.000 1.352 277 c CA -0.088 56.267 56.329 0.043 0.000 1.816 277 c CB 0.076 42.621 42.510 0.059 0.000 2.598 277 c HN 0.315 nan 8.230 nan 0.000 0.598 278 T N 3.702 118.340 114.554 0.141 0.000 2.753 278 T HA 0.361 4.711 4.350 -0.000 0.000 0.297 278 T C -0.152 174.718 174.700 0.284 0.000 0.981 278 T CA -0.232 61.999 62.100 0.217 0.000 0.956 278 T CB 0.131 69.173 68.868 0.291 0.000 0.936 278 T HN 0.778 nan 8.240 nan 0.000 0.463 279 c N 2.841 121.560 118.600 0.198 0.000 2.529 279 c HA 1.028 5.598 4.570 -0.000 0.000 0.329 279 c C 0.984 175.120 174.090 0.077 0.000 1.194 279 c CA -0.480 55.941 56.329 0.155 0.000 1.779 279 c CB 1.169 43.741 42.510 0.104 0.000 2.322 279 c HN 1.112 nan 8.230 nan 0.000 0.500 280 G N 0.223 109.046 108.800 0.037 0.000 2.600 280 G HA2 0.631 4.591 3.960 -0.000 0.000 0.293 280 G HA3 0.631 4.591 3.960 -0.000 0.000 0.293 280 G C -1.706 173.117 174.900 -0.127 0.000 1.408 280 G CA -0.510 44.593 45.100 0.005 0.000 0.782 280 G HN 0.427 nan 8.290 nan 0.000 0.482 281 F N 1.338 121.273 119.950 -0.025 0.000 2.445 281 F HA 0.488 5.014 4.527 -0.000 0.000 0.359 281 F C 1.512 176.990 175.800 -0.537 0.000 1.101 281 F CA 0.302 58.185 58.000 -0.195 0.000 1.177 281 F CB 1.917 40.862 39.000 -0.092 0.000 1.110 281 F HN 0.574 nan 8.300 nan 0.000 0.522 282 A N 2.486 124.982 122.820 -0.540 0.000 1.970 282 A HA 0.174 4.494 4.320 -0.000 0.000 0.216 282 A C 0.876 178.361 177.584 -0.165 0.000 1.170 282 A CA 1.300 52.988 52.037 -0.582 0.000 0.645 282 A CB -0.260 18.544 19.000 -0.327 0.000 0.816 282 A HN 0.701 nan 8.150 nan 0.000 0.447 283 S N -3.254 112.424 115.700 -0.036 0.000 2.703 283 S HA 0.276 4.746 4.470 -0.000 0.000 0.273 283 S C 0.015 174.653 174.600 0.064 0.000 1.178 283 S CA -0.312 57.892 58.200 0.006 0.000 0.838 283 S CB 0.167 63.361 63.200 -0.010 0.000 1.178 283 S HN 0.040 nan 8.310 nan 0.000 0.494 284 N N 0.716 119.421 118.700 0.008 0.000 2.443 284 N HA -0.027 4.713 4.740 -0.000 0.000 0.184 284 N C 1.214 176.754 175.510 0.051 0.000 1.037 284 N CA 1.150 54.205 53.050 0.007 0.000 0.896 284 N CB -0.300 38.176 38.487 -0.018 0.000 0.959 284 N HN 0.679 nan 8.380 nan 0.000 0.442 285 K N -0.441 119.976 120.400 0.029 0.000 2.308 285 K HA 0.069 4.389 4.320 -0.000 0.000 0.197 285 K C -0.352 176.230 176.600 -0.029 0.000 1.049 285 K CA 0.664 56.952 56.287 0.001 0.000 0.991 285 K CB 0.498 32.990 32.500 -0.014 0.000 0.836 285 K HN -0.078 nan 8.250 nan 0.000 0.500 286 T N 0.875 115.416 114.554 -0.021 0.000 2.886 286 T HA 0.448 4.798 4.350 -0.000 0.000 0.292 286 T C -0.616 173.996 174.700 -0.146 0.000 1.012 286 T CA -0.640 61.400 62.100 -0.100 0.000 0.982 286 T CB 2.031 70.843 68.868 -0.092 0.000 1.018 286 T HN 0.001 nan 8.240 nan 0.000 0.451 287 I N 2.434 122.827 120.570 -0.295 0.000 2.412 287 I HA 0.443 4.613 4.170 -0.000 0.000 0.296 287 I C 0.129 176.097 176.117 -0.248 0.000 0.987 287 I CA -0.675 60.383 61.300 -0.403 0.000 1.180 287 I CB 1.682 39.318 38.000 -0.608 0.000 1.340 287 I HN 0.572 nan 8.210 nan 0.000 0.455 288 E N 4.532 124.684 120.200 -0.081 0.000 2.312 288 E HA 0.610 4.960 4.350 -0.000 0.000 0.267 288 E C -1.622 175.015 176.600 0.061 0.000 0.894 288 E CA -0.708 55.678 56.400 -0.023 0.000 0.773 288 E CB 2.575 32.458 29.700 0.306 0.000 1.241 288 E HN 0.486 nan 8.360 nan 0.000 0.432 289 c N 1.291 119.723 118.600 -0.280 0.000 2.698 289 c HA 0.780 5.350 4.570 -0.000 0.000 0.309 289 c C -0.390 173.412 174.090 -0.480 0.000 1.186 289 c CA -0.778 55.496 56.329 -0.093 0.000 1.474 289 c CB 1.120 43.668 42.510 0.062 0.000 2.020 289 c HN 0.794 nan 8.230 nan 0.000 0.474 290 A N 1.468 124.149 122.820 -0.231 0.000 2.273 290 A HA 0.777 5.097 4.320 -0.000 0.000 0.315 290 A C -0.235 177.354 177.584 0.009 0.000 1.256 290 A CA -0.196 51.733 52.037 -0.180 0.000 0.851 290 A CB 0.083 18.954 19.000 -0.215 0.000 1.172 290 A HN 1.004 nan 8.150 nan 0.000 0.508 291 c N 0.822 119.440 118.600 0.030 0.000 2.710 291 c HA 0.817 5.387 4.570 -0.000 0.000 0.367 291 c C 0.423 174.541 174.090 0.047 0.000 1.315 291 c CA -0.868 55.492 56.329 0.051 0.000 1.764 291 c CB 1.358 43.912 42.510 0.073 0.000 2.182 291 c HN 0.958 nan 8.230 nan 0.000 0.491 292 R N 1.132 121.660 120.500 0.047 0.000 2.393 292 R HA 0.410 4.750 4.340 -0.000 0.000 0.310 292 R C -1.418 174.929 176.300 0.077 0.000 0.968 292 R CA -0.032 56.085 56.100 0.028 0.000 0.867 292 R CB 0.750 31.045 30.300 -0.008 0.000 1.124 292 R HN 0.835 nan 8.270 nan 0.000 0.450 293 D N 3.120 123.526 120.400 0.010 0.000 2.392 293 D HA 0.075 4.714 4.640 -0.000 0.000 0.228 293 D C -0.204 175.903 176.300 -0.322 0.000 1.074 293 D CA -0.303 53.645 54.000 -0.087 0.000 0.838 293 D CB 1.406 42.218 40.800 0.019 0.000 1.067 293 D HN 0.621 nan 8.370 nan 0.000 0.511 294 N N 1.668 119.943 118.700 -0.709 0.000 2.398 294 N HA 0.024 4.764 4.740 -0.000 0.000 0.188 294 N C 0.520 175.733 175.510 -0.494 0.000 1.122 294 N CA 0.416 53.180 53.050 -0.476 0.000 0.866 294 N CB 0.528 38.830 38.487 -0.308 0.000 0.970 294 N HN 0.156 nan 8.380 nan 0.000 0.462 295 S N -1.650 113.648 115.700 -0.670 0.000 2.931 295 S HA 0.183 4.653 4.470 -0.000 0.000 0.251 295 S C 0.618 174.842 174.600 -0.627 0.000 1.078 295 S CA -0.068 57.691 58.200 -0.734 0.000 0.835 295 S CB 0.049 62.531 63.200 -1.196 0.000 0.798 295 S HN 0.291 nan 8.310 nan 0.000 0.495 296 Y N 1.351 121.570 120.300 -0.134 0.000 2.535 296 Y HA 0.466 5.016 4.550 -0.000 0.000 0.266 296 Y C 1.066 176.907 175.900 -0.099 0.000 1.088 296 Y CA 0.124 58.172 58.100 -0.087 0.000 1.285 296 Y CB 0.440 38.871 38.460 -0.048 0.000 1.166 296 Y HN 0.167 nan 8.280 nan 0.000 0.525 297 T N -1.119 113.445 114.554 0.017 0.000 2.894 297 T HA 0.646 4.996 4.350 -0.000 0.000 0.309 297 T C 0.064 174.709 174.700 -0.093 0.000 1.208 297 T CA -0.110 61.960 62.100 -0.049 0.000 1.016 297 T CB 1.499 70.349 68.868 -0.030 0.000 1.192 297 T HN 0.012 nan 8.240 nan 0.000 0.491 298 A N 2.521 125.250 122.820 -0.150 0.000 2.275 298 A HA 0.362 4.682 4.320 -0.000 0.000 0.212 298 A C 0.732 178.265 177.584 -0.084 0.000 1.201 298 A CA 0.187 52.144 52.037 -0.133 0.000 0.843 298 A CB -0.134 18.760 19.000 -0.176 0.000 0.873 298 A HN 0.650 nan 8.150 nan 0.000 0.492 299 K N 1.185 121.530 120.400 -0.091 0.000 2.249 299 K HA 0.299 4.619 4.320 -0.000 0.000 0.280 299 K C -0.343 176.267 176.600 0.017 0.000 1.033 299 K CA -0.413 55.879 56.287 0.008 0.000 0.946 299 K CB 0.944 33.448 32.500 0.007 0.000 1.005 299 K HN 0.295 nan 8.250 nan 0.000 0.469 300 R N 3.161 123.677 120.500 0.026 0.000 2.442 300 R HA 0.110 4.450 4.340 -0.000 0.000 0.291 300 R C -2.302 174.063 176.300 0.108 0.000 1.069 300 R CA -1.787 54.341 56.100 0.047 0.000 1.022 300 R CB 0.074 30.389 30.300 0.025 0.000 0.976 300 R HN 0.314 nan 8.270 nan 0.000 0.443 301 P HA -0.052 nan 4.420 nan 0.000 0.267 301 P C -1.010 176.434 177.300 0.240 0.000 1.205 301 P CA 0.371 63.572 63.100 0.168 0.000 0.765 301 P CB 0.295 32.081 31.700 0.142 0.000 0.828 302 F N 4.493 124.572 119.950 0.214 0.000 2.403 302 F HA 0.337 4.864 4.527 0.000 0.000 0.355 302 F C -0.620 175.424 175.800 0.407 0.000 1.119 302 F CA -0.733 57.425 58.000 0.264 0.000 1.007 302 F CB 0.993 40.160 39.000 0.279 0.000 1.194 302 F HN -0.030 nan 8.300 nan 0.000 0.443 303 V N 6.068 125.932 119.914 -0.084 0.000 2.509 303 V HA 0.353 4.473 4.120 -0.000 0.000 0.284 303 V C -0.434 175.598 176.094 -0.104 0.000 1.047 303 V CA -0.788 61.542 62.300 0.050 0.000 0.952 303 V CB 1.482 33.335 31.823 0.050 0.000 0.988 303 V HN 0.568 nan 8.190 nan 0.000 0.469 304 K N 5.208 125.641 120.400 0.054 0.000 2.394 304 K HA 0.558 4.878 4.320 -0.000 0.000 0.260 304 K C -1.135 175.386 176.600 -0.132 0.000 0.967 304 K CA -0.465 55.771 56.287 -0.084 0.000 0.855 304 K CB 2.087 34.499 32.500 -0.146 0.000 1.101 304 K HN 0.511 nan 8.250 nan 0.000 0.433 305 L N 3.595 124.656 121.223 -0.269 0.000 2.298 305 L HA 0.306 4.646 4.340 -0.000 0.000 0.284 305 L C -0.626 176.067 176.870 -0.295 0.000 1.013 305 L CA -0.715 53.907 54.840 -0.364 0.000 0.824 305 L CB 1.011 42.687 42.059 -0.639 0.000 1.221 305 L HN 0.618 nan 8.230 nan 0.000 0.418 306 N N 3.960 122.536 118.700 -0.205 0.000 2.401 306 N HA 0.030 4.770 4.740 -0.000 0.000 0.255 306 N C 0.737 176.124 175.510 -0.206 0.000 1.110 306 N CA -0.157 52.797 53.050 -0.160 0.000 0.949 306 N CB 1.680 40.118 38.487 -0.081 0.000 1.110 306 N HN 0.578 nan 8.380 nan 0.000 0.490 307 V N 1.262 121.028 119.914 -0.247 0.000 3.306 307 V HA 0.090 4.210 4.120 -0.000 0.000 0.264 307 V C 1.424 177.477 176.094 -0.068 0.000 1.149 307 V CA 0.980 63.099 62.300 -0.302 0.000 1.143 307 V CB -0.424 31.163 31.823 -0.394 0.000 0.767 307 V HN 0.506 nan 8.190 nan 0.000 0.476 308 E N 1.817 121.992 120.200 -0.042 0.000 2.086 308 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 308 E C 2.262 178.865 176.600 0.004 0.000 0.975 308 E CA 1.571 57.971 56.400 -0.000 0.000 0.813 308 E CB -0.144 29.555 29.700 -0.001 0.000 0.768 308 E HN 0.828 nan 8.360 nan 0.000 0.457 309 T N -1.709 112.838 114.554 -0.011 0.000 3.081 309 T HA -0.002 4.348 4.350 -0.000 0.000 0.250 309 T C 0.140 174.840 174.700 -0.000 0.000 1.100 309 T CA 0.105 62.204 62.100 -0.002 0.000 1.038 309 T CB 0.059 68.925 68.868 -0.002 0.000 0.962 309 T HN -0.105 nan 8.240 nan 0.000 0.516 310 D N 2.391 122.786 120.400 -0.009 0.000 2.697 310 D HA -0.117 4.523 4.640 -0.000 0.000 0.238 310 D C -0.132 176.156 176.300 -0.021 0.000 1.152 310 D CA 1.497 55.500 54.000 0.006 0.000 0.666 310 D CB -1.677 39.159 40.800 0.060 0.000 1.037 310 D HN 0.816 nan 8.370 nan 0.000 0.423 311 T N -2.826 111.698 114.554 -0.050 0.000 2.876 311 T HA 0.806 5.156 4.350 -0.000 0.000 0.289 311 T C -0.278 174.383 174.700 -0.065 0.000 1.014 311 T CA -0.495 61.587 62.100 -0.030 0.000 0.986 311 T CB 2.715 71.584 68.868 0.001 0.000 1.021 311 T HN 0.304 nan 8.240 nan 0.000 0.458 312 A N 1.952 124.750 122.820 -0.036 0.000 2.386 312 A HA 0.837 5.157 4.320 -0.000 0.000 0.311 312 A C -0.593 177.027 177.584 0.060 0.000 1.068 312 A CA -0.804 51.201 52.037 -0.054 0.000 0.743 312 A CB 1.638 20.547 19.000 -0.150 0.000 1.258 312 A HN 0.970 nan 8.150 nan 0.000 0.429 313 E N 1.418 121.701 120.200 0.138 0.000 2.317 313 E HA 0.692 5.042 4.350 -0.000 0.000 0.270 313 E C -1.750 175.042 176.600 0.321 0.000 0.885 313 E CA -0.539 55.986 56.400 0.208 0.000 0.760 313 E CB 1.686 31.561 29.700 0.292 0.000 1.227 313 E HN 0.606 nan 8.360 nan 0.000 0.434 314 I N 3.479 124.133 120.570 0.141 0.000 2.499 314 I HA 0.510 4.680 4.170 -0.000 0.000 0.288 314 I C -0.308 175.720 176.117 -0.147 0.000 1.048 314 I CA -0.709 60.691 61.300 0.166 0.000 1.062 314 I CB 1.779 39.864 38.000 0.142 0.000 1.238 314 I HN 0.344 nan 8.210 nan 0.000 0.426 315 R N 5.202 125.553 120.500 -0.249 0.000 2.808 315 R HA 0.654 4.994 4.340 -0.000 0.000 0.272 315 R C -1.108 175.141 176.300 -0.085 0.000 0.995 315 R CA -1.156 54.603 56.100 -0.568 0.000 0.917 315 R CB 2.598 31.971 30.300 -1.546 0.000 1.217 315 R HN 0.449 nan 8.270 nan 0.000 0.471 316 L N 2.107 123.290 121.223 -0.066 0.000 2.439 316 L HA 0.237 4.577 4.340 -0.000 0.000 0.269 316 L C 0.684 177.640 176.870 0.143 0.000 1.179 316 L CA 0.032 54.911 54.840 0.064 0.000 0.828 316 L CB 0.350 42.416 42.059 0.012 0.000 1.106 316 L HN 0.431 nan 8.230 nan 0.000 0.467 317 M N 1.873 121.562 119.600 0.148 0.000 2.269 317 M HA -0.074 4.406 4.480 -0.000 0.000 0.350 317 M C 0.988 177.301 176.300 0.022 0.000 1.429 317 M CA 0.102 55.429 55.300 0.045 0.000 1.063 317 M CB 0.617 33.178 32.600 -0.066 0.000 1.841 317 M HN 0.774 nan 8.290 nan 0.000 0.455 318 c N 2.617 121.217 118.600 0.000 0.000 2.495 318 c HA -0.009 4.561 4.570 -0.000 0.000 0.275 318 c C 1.642 175.716 174.090 -0.027 0.000 1.392 318 c CA 0.479 56.813 56.329 0.008 0.000 1.766 318 c CB -0.424 42.092 42.510 0.010 0.000 1.933 318 c HN 0.876 nan 8.230 nan 0.000 0.519 319 T N 1.239 115.725 114.554 -0.114 0.000 2.934 319 T HA -0.019 4.331 4.350 -0.000 0.000 0.306 319 T C 1.249 175.772 174.700 -0.295 0.000 1.042 319 T CA 0.680 62.661 62.100 -0.198 0.000 1.145 319 T CB 0.458 69.156 68.868 -0.283 0.000 0.982 319 T HN 0.773 nan 8.240 nan 0.000 0.544 320 E N 2.284 122.268 120.200 -0.361 0.000 2.338 320 E HA -0.060 4.290 4.350 -0.000 0.000 0.197 320 E C 0.509 176.440 176.600 -1.114 0.000 1.007 320 E CA 0.653 56.657 56.400 -0.660 0.000 0.849 320 E CB -0.219 29.276 29.700 -0.342 0.000 0.774 320 E HN 0.513 nan 8.360 nan 0.000 0.506 321 T N 2.474 116.606 114.554 -0.703 0.000 4.104 321 T HA 0.084 4.434 4.350 -0.000 0.000 0.285 321 T C -0.887 173.460 174.700 -0.588 0.000 1.346 321 T CA -0.390 61.335 62.100 -0.625 0.000 1.158 321 T CB -0.776 67.790 68.868 -0.504 0.000 1.290 321 T HN 0.100 nan 8.240 nan 0.000 0.975 322 Y N 1.166 121.333 120.300 -0.221 0.000 2.717 322 Y HA 0.083 4.633 4.550 0.000 0.000 0.330 322 Y C 1.258 177.026 175.900 -0.220 0.000 1.217 322 Y CA -0.958 57.025 58.100 -0.196 0.000 1.506 322 Y CB 0.029 38.410 38.460 -0.132 0.000 1.268 322 Y HN 0.426 nan 8.280 nan 0.000 0.561 323 L N 1.543 122.722 121.223 -0.074 0.000 2.640 323 L HA 0.144 4.483 4.340 -0.000 0.000 0.230 323 L C 0.484 177.326 176.870 -0.047 0.000 1.123 323 L CA 0.071 54.836 54.840 -0.125 0.000 0.900 323 L CB 0.064 42.023 42.059 -0.166 0.000 1.146 323 L HN 0.606 nan 8.230 nan 0.000 0.484 324 D N -0.043 120.344 120.400 -0.022 0.000 2.387 324 D HA 0.317 4.957 4.640 -0.000 0.000 0.251 324 D C -0.450 175.832 176.300 -0.030 0.000 1.141 324 D CA 0.203 54.187 54.000 -0.027 0.000 0.987 324 D CB 1.546 42.323 40.800 -0.038 0.000 1.116 324 D HN -0.197 nan 8.370 nan 0.000 0.491 325 T N 2.150 116.679 114.554 -0.042 0.000 2.991 325 T HA 0.445 4.795 4.350 -0.000 0.000 0.303 325 T C -2.528 172.130 174.700 -0.070 0.000 1.015 325 T CA -1.106 60.963 62.100 -0.052 0.000 1.007 325 T CB 2.010 70.844 68.868 -0.057 0.000 1.034 325 T HN 0.187 nan 8.240 nan 0.000 0.446 326 P HA 0.506 nan 4.420 nan 0.000 0.273 326 P C -0.582 176.685 177.300 -0.055 0.000 1.250 326 P CA -0.650 62.413 63.100 -0.061 0.000 0.793 326 P CB 0.562 32.223 31.700 -0.065 0.000 1.011 327 R N -1.107 119.369 120.500 -0.039 0.000 2.664 327 R HA 0.586 4.926 4.340 -0.000 0.000 0.266 327 R C -3.105 173.188 176.300 -0.012 0.000 1.046 327 R CA -1.827 54.255 56.100 -0.029 0.000 0.885 327 R CB 0.655 30.970 30.300 0.026 0.000 1.254 327 R HN 0.179 nan 8.270 nan 0.000 0.465 328 P HA 0.151 nan 4.420 nan 0.000 0.302 328 P C -0.882 176.473 177.300 0.091 0.000 1.307 328 P CA -0.344 62.761 63.100 0.009 0.000 0.754 328 P CB 0.312 31.988 31.700 -0.039 0.000 1.298 329 D N 0.287 120.734 120.400 0.078 0.000 2.455 329 D HA 0.039 4.679 4.640 -0.000 0.000 0.241 329 D C -0.094 176.298 176.300 0.153 0.000 1.138 329 D CA 0.622 54.671 54.000 0.083 0.000 0.877 329 D CB -0.292 40.537 40.800 0.048 0.000 1.187 329 D HN 0.195 nan 8.370 nan 0.000 0.451 330 D N 0.635 121.061 120.400 0.044 0.000 2.533 330 D HA 0.248 4.888 4.640 -0.000 0.000 0.236 330 D C 1.610 177.879 176.300 -0.050 0.000 1.137 330 D CA 1.024 54.948 54.000 -0.128 0.000 0.867 330 D CB 0.587 41.268 40.800 -0.199 0.000 1.170 330 D HN 0.612 nan 8.370 nan 0.000 0.474 331 G N 1.767 110.526 108.800 -0.068 0.000 2.205 331 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.261 331 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.261 331 G C 1.231 176.214 174.900 0.137 0.000 0.980 331 G CA 0.883 46.004 45.100 0.035 0.000 0.632 331 G HN 0.615 nan 8.290 nan 0.000 0.533 332 S N -0.395 115.422 115.700 0.196 0.000 2.461 332 S HA 0.291 4.761 4.470 -0.000 0.000 0.228 332 S C 1.205 175.844 174.600 0.066 0.000 1.005 332 S CA 0.569 58.831 58.200 0.103 0.000 0.942 332 S CB -0.022 63.224 63.200 0.078 0.000 0.776 332 S HN 0.585 nan 8.310 nan 0.000 0.514 333 I N 4.266 124.886 120.570 0.083 0.000 2.483 333 I HA 0.090 4.260 4.170 -0.000 0.000 0.291 333 I C 0.851 176.982 176.117 0.024 0.000 1.112 333 I CA -0.273 61.010 61.300 -0.029 0.000 1.350 333 I CB 0.094 37.965 38.000 -0.216 0.000 1.419 333 I HN 0.281 nan 8.210 nan 0.000 0.523 334 T N 2.849 117.404 114.554 0.001 0.000 2.828 334 T HA 0.660 5.010 4.350 -0.000 0.000 0.290 334 T C 0.570 175.268 174.700 -0.004 0.000 1.019 334 T CA 0.054 62.156 62.100 0.005 0.000 1.031 334 T CB 1.620 70.487 68.868 -0.003 0.000 1.001 334 T HN 1.027 nan 8.240 nan 0.000 0.531 335 G N 1.680 110.479 108.800 -0.002 0.000 2.685 335 G HA2 0.044 4.004 3.960 -0.000 0.000 0.387 335 G HA3 0.044 4.004 3.960 -0.000 0.000 0.387 335 G C -2.478 172.420 174.900 -0.004 0.000 1.324 335 G CA -0.530 44.565 45.100 -0.008 0.000 0.878 335 G HN 0.901 nan 8.290 nan 0.000 0.527 336 P HA 0.258 nan 4.420 nan 0.000 0.282 336 P C 1.380 178.676 177.300 -0.007 0.000 1.286 336 P CA 0.246 63.341 63.100 -0.009 0.000 0.777 336 P CB 0.134 31.824 31.700 -0.017 0.000 1.184 337 c N -0.349 118.248 118.600 -0.006 0.000 2.410 337 c HA -0.098 4.472 4.570 -0.000 0.000 0.281 337 c C 2.380 176.457 174.090 -0.021 0.000 1.318 337 c CA 1.141 57.468 56.329 -0.002 0.000 1.776 337 c CB -1.471 41.040 42.510 0.002 0.000 1.942 337 c HN 0.642 nan 8.230 nan 0.000 0.508 338 E N 0.704 120.880 120.200 -0.041 0.000 2.435 338 E HA 0.029 4.379 4.350 -0.000 0.000 0.195 338 E C 0.664 177.231 176.600 -0.055 0.000 1.029 338 E CA 0.215 56.578 56.400 -0.061 0.000 0.865 338 E CB -0.368 29.285 29.700 -0.078 0.000 0.833 338 E HN 0.423 nan 8.360 nan 0.000 0.510 339 S N 2.374 118.047 115.700 -0.045 0.000 2.552 339 S HA 0.016 4.486 4.470 -0.000 0.000 0.289 339 S C 0.924 175.485 174.600 -0.065 0.000 1.304 339 S CA -0.342 57.828 58.200 -0.050 0.000 1.063 339 S CB 0.580 63.755 63.200 -0.041 0.000 0.848 339 S HN 0.211 nan 8.310 nan 0.000 0.499 340 N N 2.610 121.271 118.700 -0.066 0.000 2.083 340 N HA -0.004 4.736 4.740 -0.000 0.000 0.190 340 N C 1.821 177.254 175.510 -0.128 0.000 1.047 340 N CA 1.515 54.523 53.050 -0.070 0.000 0.845 340 N CB -0.642 37.829 38.487 -0.027 0.000 1.025 340 N HN 0.668 nan 8.380 nan 0.000 0.428 341 G N -0.021 108.698 108.800 -0.135 0.000 2.805 341 G HA2 0.062 4.022 3.960 -0.000 0.000 0.214 341 G HA3 0.062 4.022 3.960 -0.000 0.000 0.214 341 G C 0.074 174.926 174.900 -0.081 0.000 1.220 341 G CA 0.045 45.095 45.100 -0.083 0.000 0.854 341 G HN 0.145 nan 8.290 nan 0.000 0.623 342 D N -0.533 119.802 120.400 -0.108 0.000 2.440 342 D HA 0.408 5.048 4.640 -0.000 0.000 0.258 342 D C 0.119 176.353 176.300 -0.109 0.000 1.092 342 D CA -0.542 53.405 54.000 -0.088 0.000 1.016 342 D CB 1.370 42.129 40.800 -0.070 0.000 1.141 342 D HN 0.137 nan 8.370 nan 0.000 0.552 343 K N -0.560 119.789 120.400 -0.085 0.000 3.020 343 K HA -0.191 4.129 4.320 -0.000 0.000 0.266 343 K C 1.040 177.580 176.600 -0.100 0.000 1.067 343 K CA 0.591 56.827 56.287 -0.086 0.000 0.780 343 K CB -1.162 31.290 32.500 -0.080 0.000 1.220 343 K HN 0.607 nan 8.250 nan 0.000 0.483 344 G N 0.197 108.936 108.800 -0.102 0.000 2.603 344 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.214 344 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.214 344 G C 0.275 175.089 174.900 -0.143 0.000 1.140 344 G CA 0.393 45.425 45.100 -0.112 0.000 0.800 344 G HN 0.433 nan 8.290 nan 0.000 0.533 345 S N 0.182 115.795 115.700 -0.144 0.000 2.562 345 S HA 0.540 5.010 4.470 -0.000 0.000 0.281 345 S C 0.570 175.084 174.600 -0.143 0.000 1.333 345 S CA 0.149 58.244 58.200 -0.174 0.000 1.052 345 S CB 1.078 64.190 63.200 -0.147 0.000 0.884 345 S HN 1.686 nan 8.310 nan 0.000 0.506 346 G N 1.087 109.795 108.800 -0.153 0.000 2.707 346 G HA2 0.464 4.424 3.960 -0.000 0.000 0.686 346 G HA3 0.464 4.424 3.960 -0.000 0.000 0.686 346 G C -0.170 174.660 174.900 -0.116 0.000 1.315 346 G CA -0.306 44.725 45.100 -0.115 0.000 0.832 346 G HN 2.156 nan 8.290 nan 0.000 0.573 347 G N -1.358 107.393 108.800 -0.082 0.000 2.340 347 G HA2 0.724 4.684 3.960 -0.000 0.000 0.299 347 G HA3 0.724 4.684 3.960 -0.000 0.000 0.299 347 G C -1.532 173.344 174.900 -0.039 0.000 1.291 347 G CA 0.170 45.228 45.100 -0.071 0.000 0.841 347 G HN 1.854 nan 8.290 nan 0.000 0.500 348 I N -0.260 120.280 120.570 -0.050 0.000 2.775 348 I HA 0.473 4.643 4.170 -0.000 0.000 0.295 348 I C -0.426 175.587 176.117 -0.174 0.000 1.287 348 I CA -0.934 60.331 61.300 -0.057 0.000 1.029 348 I CB 2.190 40.189 38.000 -0.001 0.000 1.282 348 I HN 0.573 nan 8.210 nan 0.000 0.426 349 K N 4.468 124.565 120.400 -0.504 0.000 2.416 349 K HA 0.387 4.707 4.320 -0.000 0.000 0.283 349 K C -0.286 176.249 176.600 -0.108 0.000 1.037 349 K CA 0.119 56.148 56.287 -0.430 0.000 0.995 349 K CB 0.679 32.680 32.500 -0.832 0.000 0.938 349 K HN 0.766 nan 8.250 nan 0.000 0.475 350 G N 2.251 111.061 108.800 0.016 0.000 2.452 350 G HA2 0.498 4.458 3.960 -0.000 0.000 0.324 350 G HA3 0.498 4.458 3.960 -0.000 0.000 0.324 350 G C -0.378 174.643 174.900 0.202 0.000 1.214 350 G CA -0.863 44.304 45.100 0.111 0.000 0.947 350 G HN 0.724 nan 8.290 nan 0.000 0.478 351 G N -0.658 108.279 108.800 0.227 0.000 2.467 351 G HA2 0.524 4.483 3.960 -0.000 0.000 0.257 351 G HA3 0.524 4.483 3.960 -0.000 0.000 0.257 351 G C -1.243 173.865 174.900 0.347 0.000 1.227 351 G CA -0.172 45.080 45.100 0.253 0.000 0.835 351 G HN 0.778 nan 8.290 nan 0.000 0.556 352 F N 1.360 121.360 119.950 0.084 0.000 2.639 352 F HA 0.568 5.095 4.527 -0.000 0.000 0.320 352 F C -1.438 174.320 175.800 -0.071 0.000 1.128 352 F CA -1.097 56.882 58.000 -0.035 0.000 1.037 352 F CB 1.428 40.450 39.000 0.036 0.000 1.288 352 F HN 0.644 nan 8.300 nan 0.000 0.463 353 V N 5.148 124.612 119.914 -0.750 0.000 3.077 353 V HA 0.455 4.575 4.120 -0.000 0.000 0.299 353 V C -1.663 174.051 176.094 -0.634 0.000 1.276 353 V CA -0.549 61.382 62.300 -0.616 0.000 0.993 353 V CB 2.386 34.119 31.823 -0.151 0.000 1.076 353 V HN 0.886 nan 8.190 nan 0.000 0.434 354 H N 3.420 122.319 119.070 -0.285 0.000 2.473 354 H HA 0.552 5.108 4.556 -0.000 0.000 0.327 354 H C -0.222 175.145 175.328 0.066 0.000 1.105 354 H CA -0.097 55.892 56.048 -0.099 0.000 1.280 354 H CB 1.421 31.130 29.762 -0.088 0.000 1.450 354 H HN 0.642 nan 8.280 nan 0.000 0.492 355 Q N 3.590 123.575 119.800 0.309 0.000 2.372 355 Q HA 0.304 4.644 4.340 -0.000 0.000 0.259 355 Q C -0.843 175.305 176.000 0.247 0.000 0.993 355 Q CA -0.915 55.063 55.803 0.291 0.000 0.854 355 Q CB 0.535 29.569 28.738 0.494 0.000 1.231 355 Q HN 0.627 nan 8.270 nan 0.000 0.462 356 R N 4.014 124.616 120.500 0.170 0.000 2.207 356 R HA 0.445 4.785 4.340 -0.000 0.000 0.334 356 R C -0.534 175.831 176.300 0.109 0.000 1.013 356 R CA 0.012 56.188 56.100 0.127 0.000 0.858 356 R CB 1.092 31.439 30.300 0.079 0.000 1.094 356 R HN 0.558 nan 8.270 nan 0.000 0.457 357 M N 0.746 120.414 119.600 0.112 0.000 2.777 357 M HA 0.389 4.869 4.480 -0.000 0.000 0.307 357 M C 1.137 177.471 176.300 0.058 0.000 1.228 357 M CA -0.553 54.798 55.300 0.085 0.000 0.871 357 M CB 1.765 34.425 32.600 0.101 0.000 1.721 357 M HN 0.673 nan 8.290 nan 0.000 0.487 358 A N 0.136 122.979 122.820 0.038 0.000 1.852 358 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 358 A C 1.592 179.191 177.584 0.025 0.000 1.215 358 A CA 2.363 54.414 52.037 0.024 0.000 0.641 358 A CB -0.761 18.247 19.000 0.015 0.000 0.838 358 A HN 0.723 nan 8.150 nan 0.000 0.450 359 S N -0.948 114.768 115.700 0.027 0.000 2.624 359 S HA 0.375 4.845 4.470 -0.000 0.000 0.246 359 S C -0.089 174.534 174.600 0.038 0.000 1.072 359 S CA -0.314 57.902 58.200 0.025 0.000 1.045 359 S CB -0.033 63.175 63.200 0.014 0.000 0.851 359 S HN 0.531 nan 8.310 nan 0.000 0.480 360 K N 1.143 121.579 120.400 0.061 0.000 2.546 360 K HA 0.540 4.859 4.320 -0.000 0.000 0.264 360 K C -2.036 174.648 176.600 0.139 0.000 0.937 360 K CA -0.604 55.741 56.287 0.095 0.000 0.833 360 K CB 1.939 34.490 32.500 0.086 0.000 1.378 360 K HN 0.189 nan 8.250 nan 0.000 0.432 361 I N 1.531 122.205 120.570 0.173 0.000 2.509 361 I HA 0.532 4.702 4.170 -0.000 0.000 0.293 361 I C -0.504 175.747 176.117 0.224 0.000 1.020 361 I CA -0.424 60.991 61.300 0.193 0.000 1.088 361 I CB 1.865 39.952 38.000 0.146 0.000 1.267 361 I HN 0.699 nan 8.210 nan 0.000 0.430 362 G N 6.507 115.421 108.800 0.189 0.000 2.372 362 G HA2 0.578 4.538 3.960 -0.000 0.000 0.323 362 G HA3 0.578 4.538 3.960 -0.000 0.000 0.323 362 G C -0.991 173.819 174.900 -0.150 0.000 1.152 362 G CA -0.647 44.324 45.100 -0.214 0.000 0.906 362 G HN 0.587 nan 8.290 nan 0.000 0.460 363 R N 1.235 121.510 120.500 -0.375 0.000 2.360 363 R HA 0.316 4.656 4.340 -0.000 0.000 0.318 363 R C -1.390 174.552 176.300 -0.598 0.000 0.950 363 R CA -0.538 55.378 56.100 -0.306 0.000 0.837 363 R CB 1.849 32.132 30.300 -0.029 0.000 1.165 363 R HN 0.542 nan 8.270 nan 0.000 0.458 364 W N 3.023 123.997 121.300 -0.544 0.000 2.520 364 W HA 0.417 5.077 4.660 0.000 0.000 0.323 364 W C -0.509 175.732 176.519 -0.464 0.000 1.062 364 W CA -0.225 56.847 57.345 -0.454 0.000 1.215 364 W CB 0.973 30.143 29.460 -0.484 0.000 1.340 364 W HN 0.429 nan 8.180 nan 0.000 0.516 365 Y N 0.951 121.370 120.300 0.199 0.000 2.581 365 Y HA 0.601 5.150 4.550 -0.000 0.000 0.345 365 Y C 0.199 176.202 175.900 0.172 0.000 1.036 365 Y CA -1.330 56.891 58.100 0.202 0.000 1.042 365 Y CB 2.219 40.746 38.460 0.111 0.000 1.289 365 Y HN 0.307 nan 8.280 nan 0.000 0.471 366 S N 1.649 117.541 115.700 0.321 0.000 2.568 366 S HA 0.965 5.435 4.470 -0.000 0.000 0.293 366 S C -1.067 173.652 174.600 0.199 0.000 1.089 366 S CA -1.043 57.305 58.200 0.247 0.000 0.945 366 S CB 2.683 65.962 63.200 0.133 0.000 1.077 366 S HN 0.855 nan 8.310 nan 0.000 0.485 367 R N -0.625 119.991 120.500 0.194 0.000 2.710 367 R HA 0.624 4.963 4.340 -0.000 0.000 0.270 367 R C -0.620 175.751 176.300 0.120 0.000 1.021 367 R CA -0.773 55.388 56.100 0.101 0.000 0.889 367 R CB 0.495 30.783 30.300 -0.019 0.000 1.243 367 R HN 0.747 nan 8.270 nan 0.000 0.464 368 T N -0.325 114.273 114.554 0.073 0.000 2.906 368 T HA 0.016 4.366 4.350 -0.000 0.000 0.320 368 T C 1.020 175.763 174.700 0.073 0.000 1.088 368 T CA -0.313 61.825 62.100 0.062 0.000 1.120 368 T CB 0.437 69.318 68.868 0.021 0.000 1.000 368 T HN 0.607 nan 8.240 nan 0.000 0.550 369 M N 1.553 121.191 119.600 0.064 0.000 2.254 369 M HA 0.162 4.642 4.480 -0.000 0.000 0.265 369 M C 1.399 177.726 176.300 0.044 0.000 1.066 369 M CA 0.837 56.176 55.300 0.064 0.000 1.123 369 M CB -0.485 32.144 32.600 0.048 0.000 1.388 369 M HN 0.809 nan 8.290 nan 0.000 0.425 370 S N -0.232 115.484 115.700 0.027 0.000 2.537 370 S HA 0.184 4.654 4.470 -0.000 0.000 0.275 370 S C 1.005 175.607 174.600 0.002 0.000 1.272 370 S CA -0.456 57.751 58.200 0.012 0.000 1.050 370 S CB 0.802 64.003 63.200 0.001 0.000 0.961 370 S HN 0.321 nan 8.310 nan 0.000 0.496 371 K N 2.290 122.691 120.400 0.002 0.000 2.217 371 K HA -0.020 4.300 4.320 -0.000 0.000 0.202 371 K C 1.306 177.893 176.600 -0.021 0.000 1.051 371 K CA 1.542 57.827 56.287 -0.003 0.000 0.952 371 K CB -0.027 32.476 32.500 0.005 0.000 0.736 371 K HN 0.648 nan 8.250 nan 0.000 0.453 372 T N 0.013 114.551 114.554 -0.027 0.000 3.026 372 T HA 0.104 4.454 4.350 -0.000 0.000 0.245 372 T C 0.432 175.096 174.700 -0.061 0.000 1.004 372 T CA 0.238 62.314 62.100 -0.041 0.000 1.069 372 T CB 0.433 69.281 68.868 -0.033 0.000 1.005 372 T HN 0.019 nan 8.240 nan 0.000 0.472 373 K N 1.158 121.524 120.400 -0.057 0.000 2.211 373 K HA 0.513 4.833 4.320 -0.000 0.000 0.237 373 K C -0.150 176.380 176.600 -0.116 0.000 1.002 373 K CA -0.809 55.427 56.287 -0.084 0.000 0.885 373 K CB 1.392 33.865 32.500 -0.045 0.000 1.136 373 K HN -0.104 nan 8.250 nan 0.000 0.448 374 R N 1.308 121.681 120.500 -0.211 0.000 4.609 374 R HA 0.189 4.529 4.340 -0.000 0.000 0.235 374 R C -0.491 175.757 176.300 -0.086 0.000 1.836 374 R CA -0.008 55.910 56.100 -0.304 0.000 1.564 374 R CB -0.049 29.703 30.300 -0.914 0.000 1.382 374 R HN 0.226 nan 8.270 nan 0.000 0.776 375 M N 0.536 120.132 119.600 -0.007 0.000 2.243 375 M HA 0.375 4.855 4.480 -0.000 0.000 0.324 375 M C 0.468 176.800 176.300 0.054 0.000 1.031 375 M CA -0.477 54.855 55.300 0.053 0.000 0.949 375 M CB 1.512 34.136 32.600 0.041 0.000 1.615 375 M HN 0.516 nan 8.290 nan 0.000 0.430 376 G N 3.032 111.876 108.800 0.073 0.000 2.781 376 G HA2 0.024 3.984 3.960 -0.000 0.000 0.683 376 G HA3 0.024 3.984 3.960 -0.000 0.000 0.683 376 G C -1.305 173.633 174.900 0.064 0.000 1.390 376 G CA -0.774 44.361 45.100 0.058 0.000 0.850 376 G HN 0.693 nan 8.290 nan 0.000 0.557 377 M N 0.664 120.288 119.600 0.041 0.000 2.274 377 M HA 0.624 5.104 4.480 -0.000 0.000 0.272 377 M C 0.005 176.303 176.300 -0.004 0.000 1.053 377 M CA 0.399 55.721 55.300 0.037 0.000 0.978 377 M CB 1.648 34.265 32.600 0.027 0.000 1.836 377 M HN 1.812 nan 8.290 nan 0.000 0.484 378 G N 3.212 112.050 108.800 0.063 0.000 2.400 378 G HA2 0.658 4.618 3.960 -0.000 0.000 0.333 378 G HA3 0.658 4.618 3.960 -0.000 0.000 0.333 378 G C -1.968 172.925 174.900 -0.013 0.000 1.143 378 G CA -0.568 44.527 45.100 -0.007 0.000 0.914 378 G HN 0.709 nan 8.290 nan 0.000 0.480 379 L N 1.206 122.306 121.223 -0.206 0.000 2.309 379 L HA 0.755 5.095 4.340 -0.000 0.000 0.282 379 L C -1.316 175.398 176.870 -0.260 0.000 1.036 379 L CA -0.945 53.832 54.840 -0.106 0.000 0.806 379 L CB 1.038 43.023 42.059 -0.124 0.000 1.220 379 L HN 0.525 nan 8.230 nan 0.000 0.429 380 Y N 3.143 123.457 120.300 0.023 0.000 2.545 380 Y HA 0.739 5.289 4.550 -0.000 0.000 0.348 380 Y C -0.634 175.191 175.900 -0.124 0.000 1.002 380 Y CA -0.771 57.316 58.100 -0.021 0.000 1.039 380 Y CB 2.326 40.793 38.460 0.011 0.000 1.271 380 Y HN 0.421 nan 8.280 nan 0.000 0.467 381 V N 2.456 122.275 119.914 -0.159 0.000 3.049 381 V HA 0.695 4.815 4.120 -0.000 0.000 0.309 381 V C -1.696 174.176 176.094 -0.370 0.000 1.148 381 V CA -0.774 61.175 62.300 -0.584 0.000 0.990 381 V CB 2.229 33.158 31.823 -1.490 0.000 1.039 381 V HN 0.802 nan 8.190 nan 0.000 0.430 382 K N 3.722 123.866 120.400 -0.427 0.000 2.498 382 K HA 0.577 4.897 4.320 -0.000 0.000 0.254 382 K C -2.200 174.161 176.600 -0.398 0.000 0.933 382 K CA -0.595 55.526 56.287 -0.276 0.000 0.806 382 K CB 2.044 34.497 32.500 -0.080 0.000 1.301 382 K HN 0.676 nan 8.250 nan 0.000 0.432 383 Y N 2.805 123.052 120.300 -0.088 0.000 2.342 383 Y HA 0.220 4.769 4.550 -0.000 0.000 0.334 383 Y C 0.404 176.293 175.900 -0.019 0.000 1.067 383 Y CA 0.189 58.259 58.100 -0.050 0.000 1.128 383 Y CB 1.090 39.523 38.460 -0.044 0.000 1.200 383 Y HN 0.800 nan 8.280 nan 0.000 0.464 384 D N 0.556 121.037 120.400 0.135 0.000 3.831 384 D HA -0.148 4.491 4.640 -0.000 0.000 0.276 384 D C 0.593 176.911 176.300 0.030 0.000 2.100 384 D CA 1.770 55.818 54.000 0.080 0.000 1.140 384 D CB -0.747 40.100 40.800 0.079 0.000 0.949 384 D HN 1.087 nan 8.370 nan 0.000 1.144 385 G N -0.057 108.751 108.800 0.013 0.000 2.693 385 G HA2 0.079 4.039 3.960 -0.000 0.000 0.226 385 G HA3 0.079 4.039 3.960 -0.000 0.000 0.226 385 G C -1.068 173.806 174.900 -0.044 0.000 1.354 385 G CA 0.564 45.656 45.100 -0.013 0.000 0.873 385 G HN 0.867 nan 8.290 nan 0.000 0.562 386 D N -0.055 120.307 120.400 -0.063 0.000 2.505 386 D HA 0.604 5.244 4.640 -0.000 0.000 0.250 386 D C -1.388 174.820 176.300 -0.153 0.000 1.164 386 D CA -2.069 51.865 54.000 -0.110 0.000 0.870 386 D CB 1.834 42.612 40.800 -0.036 0.000 1.160 386 D HN -0.001 nan 8.370 nan 0.000 0.549 387 P HA -0.032 nan 4.420 nan 0.000 0.225 387 P C 0.965 178.174 177.300 -0.152 0.000 1.148 387 P CA 0.605 63.446 63.100 -0.433 0.000 0.779 387 P CB 0.159 31.197 31.700 -1.103 0.000 0.780 388 W N -0.132 121.047 121.300 -0.201 0.000 2.518 388 W HA 0.059 4.719 4.660 -0.000 0.000 0.273 388 W C 1.879 178.357 176.519 -0.069 0.000 1.247 388 W CA 1.778 59.066 57.345 -0.094 0.000 1.288 388 W CB -1.572 27.872 29.460 -0.027 0.000 1.107 388 W HN 0.120 nan 8.180 nan 0.000 0.586 389 T N -4.606 110.037 114.554 0.148 0.000 2.975 389 T HA 0.111 4.460 4.350 -0.000 0.000 0.257 389 T C -0.171 174.540 174.700 0.020 0.000 1.003 389 T CA -0.151 61.994 62.100 0.075 0.000 0.932 389 T CB 0.008 68.922 68.868 0.077 0.000 1.087 389 T HN -0.317 nan 8.240 nan 0.000 0.512 390 D N 2.919 123.312 120.400 -0.011 0.000 2.374 390 D HA 0.312 4.952 4.640 -0.000 0.000 0.240 390 D C 1.198 177.465 176.300 -0.054 0.000 1.229 390 D CA 0.011 53.988 54.000 -0.038 0.000 0.895 390 D CB 1.226 41.989 40.800 -0.063 0.000 1.046 390 D HN 0.389 nan 8.370 nan 0.000 0.498 391 S N 1.212 116.887 115.700 -0.041 0.000 2.527 391 S HA -0.047 4.423 4.470 -0.000 0.000 0.222 391 S C 0.665 175.217 174.600 -0.079 0.000 0.985 391 S CA -0.321 57.848 58.200 -0.052 0.000 0.921 391 S CB 0.128 63.312 63.200 -0.028 0.000 0.772 391 S HN 0.254 nan 8.310 nan 0.000 0.529 392 D N 2.890 123.247 120.400 -0.071 0.000 2.419 392 D HA 0.434 5.074 4.640 -0.000 0.000 0.236 392 D C 0.419 176.654 176.300 -0.107 0.000 1.165 392 D CA 0.499 54.455 54.000 -0.073 0.000 0.882 392 D CB 0.667 41.437 40.800 -0.051 0.000 1.201 392 D HN 0.463 nan 8.370 nan 0.000 0.443 393 A N 1.935 124.695 122.820 -0.100 0.000 2.498 393 A HA 0.140 4.459 4.320 -0.000 0.000 0.239 393 A C -0.080 177.449 177.584 -0.092 0.000 1.068 393 A CA -0.350 51.615 52.037 -0.119 0.000 0.766 393 A CB 0.092 19.043 19.000 -0.082 0.000 1.003 393 A HN 0.405 nan 8.150 nan 0.000 0.497 394 L N 1.697 122.852 121.223 -0.115 0.000 2.416 394 L HA 0.351 4.690 4.340 -0.000 0.000 0.272 394 L C 1.080 178.006 176.870 0.093 0.000 1.161 394 L CA 0.544 55.363 54.840 -0.034 0.000 0.845 394 L CB 0.410 42.415 42.059 -0.090 0.000 1.119 394 L HN 0.781 nan 8.230 nan 0.000 0.464 395 A N 4.273 127.126 122.820 0.055 0.000 2.492 395 A HA 0.279 4.599 4.320 -0.000 0.000 0.254 395 A C -0.188 177.415 177.584 0.032 0.000 1.091 395 A CA -0.407 51.653 52.037 0.037 0.000 0.768 395 A CB -0.266 18.725 19.000 -0.015 0.000 1.028 395 A HN 0.626 nan 8.150 nan 0.000 0.498 396 L N 3.775 124.974 121.223 -0.039 0.000 2.433 396 L HA 0.227 4.566 4.340 -0.000 0.000 0.275 396 L C 1.307 178.033 176.870 -0.240 0.000 1.128 396 L CA 1.070 55.688 54.840 -0.371 0.000 0.875 396 L CB 0.754 42.636 42.059 -0.295 0.000 1.171 396 L HN 0.725 nan 8.230 nan 0.000 0.463 397 S N 3.097 118.638 115.700 -0.265 0.000 2.441 397 S HA 0.512 4.982 4.470 -0.000 0.000 0.224 397 S C 0.582 175.162 174.600 -0.033 0.000 1.043 397 S CA 0.454 58.620 58.200 -0.058 0.000 0.948 397 S CB -0.094 63.158 63.200 0.087 0.000 0.810 397 S HN 1.063 nan 8.310 nan 0.000 0.504 398 G N -0.325 108.402 108.800 -0.121 0.000 2.328 398 G HA2 0.380 4.340 3.960 -0.000 0.000 0.295 398 G HA3 0.380 4.340 3.960 -0.000 0.000 0.295 398 G C -1.861 172.968 174.900 -0.119 0.000 1.413 398 G CA -0.491 44.568 45.100 -0.069 0.000 0.817 398 G HN 0.221 nan 8.290 nan 0.000 0.546 399 V N 1.916 121.792 119.914 -0.063 0.000 2.334 399 V HA 0.259 4.379 4.120 -0.000 0.000 0.267 399 V C 1.337 177.381 176.094 -0.084 0.000 1.040 399 V CA -0.116 62.142 62.300 -0.070 0.000 0.866 399 V CB 0.848 32.658 31.823 -0.022 0.000 1.019 399 V HN 0.773 nan 8.190 nan 0.000 0.468 400 M N 3.773 123.239 119.600 -0.223 0.000 2.288 400 M HA 0.082 4.562 4.480 -0.000 0.000 0.266 400 M C 0.068 176.284 176.300 -0.140 0.000 1.072 400 M CA 1.315 56.340 55.300 -0.458 0.000 1.132 400 M CB 0.300 32.337 32.600 -0.939 0.000 1.386 400 M HN 0.453 nan 8.290 nan 0.000 0.432 401 V N 0.257 120.131 119.914 -0.067 0.000 2.668 401 V HA 0.239 4.359 4.120 -0.000 0.000 0.304 401 V C -0.107 175.993 176.094 0.009 0.000 1.071 401 V CA -1.135 61.167 62.300 0.004 0.000 0.894 401 V CB 1.847 33.691 31.823 0.035 0.000 1.008 401 V HN 0.341 nan 8.190 nan 0.000 0.425 402 S N 4.208 119.915 115.700 0.012 0.000 2.608 402 S HA 0.312 4.782 4.470 -0.000 0.000 0.261 402 S C 1.058 175.673 174.600 0.026 0.000 1.314 402 S CA -0.225 57.983 58.200 0.014 0.000 0.992 402 S CB 0.761 63.965 63.200 0.006 0.000 0.935 402 S HN 0.724 nan 8.310 nan 0.000 0.564 403 M N 0.524 120.139 119.600 0.025 0.000 2.346 403 M HA -0.011 4.469 4.480 -0.000 0.000 0.263 403 M C 1.344 177.664 176.300 0.032 0.000 1.064 403 M CA 1.609 56.926 55.300 0.030 0.000 1.083 403 M CB -0.922 31.693 32.600 0.025 0.000 1.399 403 M HN 0.824 nan 8.290 nan 0.000 0.435 404 E N 0.102 120.318 120.200 0.027 0.000 2.481 404 E HA 0.050 4.400 4.350 -0.000 0.000 0.195 404 E C -0.052 176.569 176.600 0.036 0.000 1.047 404 E CA 0.394 56.810 56.400 0.027 0.000 0.867 404 E CB 0.168 29.879 29.700 0.017 0.000 0.858 404 E HN 0.434 nan 8.360 nan 0.000 0.513 405 E N 0.493 120.719 120.200 0.044 0.000 2.244 405 E HA 0.276 4.626 4.350 -0.000 0.000 0.266 405 E C -2.496 174.159 176.600 0.093 0.000 0.914 405 E CA -2.521 53.913 56.400 0.056 0.000 0.794 405 E CB 1.439 31.165 29.700 0.043 0.000 1.210 405 E HN -0.091 nan 8.360 nan 0.000 0.414 406 P HA 0.133 nan 4.420 nan 0.000 0.271 406 P C -0.359 177.099 177.300 0.263 0.000 1.220 406 P CA -0.236 63.004 63.100 0.233 0.000 0.768 406 P CB 0.598 32.394 31.700 0.159 0.000 0.848 407 G N 2.689 111.683 108.800 0.324 0.000 3.114 407 G HA2 0.379 4.339 3.960 -0.000 0.000 0.320 407 G HA3 0.379 4.339 3.960 -0.000 0.000 0.320 407 G C -0.775 174.320 174.900 0.326 0.000 1.453 407 G CA -0.398 44.865 45.100 0.272 0.000 1.084 407 G HN 0.348 nan 8.290 nan 0.000 0.516 408 W N 0.824 122.198 121.300 0.123 0.000 1.877 408 W HA 0.507 5.167 4.660 -0.000 0.000 0.645 408 W C 0.359 177.084 176.519 0.343 0.000 1.412 408 W CA -0.645 56.816 57.345 0.192 0.000 0.998 408 W CB -0.461 29.062 29.460 0.106 0.000 3.511 408 W HN 0.308 nan 8.180 nan 0.000 0.755 409 Y N 1.595 122.157 120.300 0.436 0.000 2.683 409 Y HA 0.216 4.766 4.550 -0.000 0.000 0.340 409 Y C 0.764 176.896 175.900 0.387 0.000 1.245 409 Y CA -0.589 57.726 58.100 0.359 0.000 1.485 409 Y CB -0.412 38.273 38.460 0.375 0.000 1.328 409 Y HN 0.032 nan 8.280 nan 0.000 0.603 410 S N 3.247 119.224 115.700 0.462 0.000 2.549 410 S HA 0.892 5.362 4.470 -0.000 0.000 0.280 410 S C -1.218 173.644 174.600 0.435 0.000 1.109 410 S CA -0.894 57.534 58.200 0.381 0.000 0.905 410 S CB 1.968 65.287 63.200 0.198 0.000 1.081 410 S HN 0.460 nan 8.310 nan 0.000 0.477 411 F N -1.112 119.022 119.950 0.307 0.000 2.643 411 F HA 0.959 5.486 4.527 0.000 0.000 0.314 411 F C -0.040 175.973 175.800 0.356 0.000 1.096 411 F CA -1.025 57.166 58.000 0.317 0.000 0.953 411 F CB 0.911 40.126 39.000 0.358 0.000 1.345 411 F HN 0.874 nan 8.300 nan 0.000 0.468 412 G N 0.622 109.687 108.800 0.441 0.000 2.400 412 G HA2 0.710 4.670 3.960 -0.000 0.000 0.333 412 G HA3 0.710 4.670 3.960 -0.000 0.000 0.333 412 G C -1.791 173.441 174.900 0.553 0.000 1.143 412 G CA -0.875 44.415 45.100 0.316 0.000 0.914 412 G HN 1.071 nan 8.290 nan 0.000 0.480 413 F N -1.333 118.755 119.950 0.230 0.000 2.713 413 F HA 0.731 5.258 4.527 0.000 0.000 0.311 413 F C -1.000 174.897 175.800 0.161 0.000 1.141 413 F CA -1.334 56.816 58.000 0.251 0.000 0.939 413 F CB 1.509 40.728 39.000 0.364 0.000 1.325 413 F HN 0.411 nan 8.300 nan 0.000 0.453 414 E N 2.382 122.737 120.200 0.259 0.000 2.199 414 E HA 0.525 4.875 4.350 -0.000 0.000 0.265 414 E C -1.158 175.556 176.600 0.189 0.000 0.882 414 E CA -0.798 55.653 56.400 0.085 0.000 0.759 414 E CB 2.975 32.738 29.700 0.106 0.000 1.148 414 E HN 0.536 nan 8.360 nan 0.000 0.412 415 I N 2.674 123.291 120.570 0.078 0.000 2.365 415 I HA 0.179 4.349 4.170 -0.000 0.000 0.291 415 I C 0.010 176.161 176.117 0.057 0.000 1.004 415 I CA -0.829 60.544 61.300 0.120 0.000 1.311 415 I CB 0.617 38.675 38.000 0.096 0.000 1.401 415 I HN 0.113 nan 8.210 nan 0.000 0.491 416 K N 4.677 125.116 120.400 0.065 0.000 2.273 416 K HA 0.197 4.517 4.320 -0.000 0.000 0.287 416 K C -0.402 176.208 176.600 0.018 0.000 1.089 416 K CA -0.250 56.057 56.287 0.035 0.000 0.909 416 K CB 0.068 32.586 32.500 0.030 0.000 1.123 416 K HN 0.378 nan 8.250 nan 0.000 0.473 417 D N 1.491 121.894 120.400 0.004 0.000 2.451 417 D HA 0.149 4.789 4.640 -0.000 0.000 0.259 417 D C 0.800 177.099 176.300 -0.001 0.000 1.201 417 D CA -0.262 53.736 54.000 -0.003 0.000 1.028 417 D CB 0.951 41.742 40.800 -0.015 0.000 1.095 417 D HN 0.240 nan 8.370 nan 0.000 0.539 418 K N -0.197 120.201 120.400 -0.004 0.000 2.074 418 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 418 K C 1.041 177.640 176.600 -0.001 0.000 1.048 418 K CA 1.416 57.701 56.287 -0.002 0.000 0.926 418 K CB 0.117 32.615 32.500 -0.004 0.000 0.713 418 K HN 0.290 nan 8.250 nan 0.000 0.444 419 K N -1.046 119.352 120.400 -0.003 0.000 2.517 419 K HA 0.122 4.442 4.320 -0.000 0.000 0.210 419 K C -0.306 176.293 176.600 -0.001 0.000 1.166 419 K CA -0.087 56.199 56.287 -0.002 0.000 1.030 419 K CB 1.172 33.670 32.500 -0.004 0.000 0.974 419 K HN 0.244 nan 8.250 nan 0.000 0.585 420 c N -1.081 117.518 118.600 -0.002 0.000 3.288 420 c HA 0.563 5.133 4.570 -0.000 0.000 0.318 420 c C -1.599 172.488 174.090 -0.004 0.000 1.356 420 c CA -1.296 55.031 56.329 -0.003 0.000 1.359 420 c CB 1.460 43.967 42.510 -0.006 0.000 1.688 420 c HN 0.008 nan 8.230 nan 0.000 0.467 421 D N 0.680 121.079 120.400 -0.002 0.000 2.193 421 D HA 0.591 5.231 4.640 -0.000 0.000 0.249 421 D C -0.616 175.661 176.300 -0.038 0.000 1.034 421 D CA -0.192 53.806 54.000 -0.004 0.000 0.902 421 D CB 2.005 42.817 40.800 0.019 0.000 1.182 421 D HN 0.536 nan 8.370 nan 0.000 0.436 422 V N 3.747 123.620 119.914 -0.068 0.000 2.313 422 V HA 0.287 4.407 4.120 -0.000 0.000 0.278 422 V C -2.260 173.694 176.094 -0.234 0.000 1.017 422 V CA -1.671 60.534 62.300 -0.158 0.000 0.823 422 V CB 1.358 33.079 31.823 -0.169 0.000 1.010 422 V HN 0.377 nan 8.190 nan 0.000 0.443 423 P HA 0.322 nan 4.420 nan 0.000 0.276 423 P C -0.687 176.289 177.300 -0.539 0.000 1.235 423 P CA -0.104 62.822 63.100 -0.292 0.000 0.772 423 P CB 0.708 32.318 31.700 -0.150 0.000 0.871 424 c N 4.012 122.280 118.600 -0.553 0.000 2.889 424 c HA 0.598 5.168 4.570 -0.000 0.000 0.307 424 c C -0.280 173.633 174.090 -0.296 0.000 1.251 424 c CA -0.584 55.381 56.329 -0.606 0.000 1.593 424 c CB 1.701 43.476 42.510 -1.226 0.000 2.104 424 c HN 0.441 nan 8.230 nan 0.000 0.476 425 I N 2.338 122.937 120.570 0.047 0.000 2.410 425 I HA 0.468 4.638 4.170 -0.000 0.000 0.286 425 I C 0.576 176.691 176.117 -0.004 0.000 1.009 425 I CA 0.424 61.745 61.300 0.034 0.000 1.111 425 I CB 1.033 39.070 38.000 0.062 0.000 1.262 425 I HN 0.919 nan 8.210 nan 0.000 0.443 426 G N 6.803 115.361 108.800 -0.403 0.000 2.412 426 G HA2 0.784 4.744 3.960 -0.000 0.000 0.318 426 G HA3 0.784 4.744 3.960 -0.000 0.000 0.318 426 G C -0.759 173.779 174.900 -0.604 0.000 1.146 426 G CA -0.401 44.301 45.100 -0.664 0.000 0.882 426 G HN 0.483 nan 8.290 nan 0.000 0.501 427 I N 0.355 120.915 120.570 -0.017 0.000 2.534 427 I HA 0.241 4.411 4.170 -0.000 0.000 0.288 427 I C -0.131 176.184 176.117 0.330 0.000 1.077 427 I CA -0.645 60.766 61.300 0.184 0.000 1.051 427 I CB 2.505 40.594 38.000 0.149 0.000 1.234 427 I HN 0.523 nan 8.210 nan 0.000 0.425 428 E N 7.723 128.182 120.200 0.433 0.000 2.223 428 E HA 0.350 4.700 4.350 -0.000 0.000 0.282 428 E C -1.120 175.613 176.600 0.222 0.000 1.046 428 E CA -0.428 56.182 56.400 0.350 0.000 0.857 428 E CB 0.838 30.771 29.700 0.387 0.000 1.055 428 E HN 0.553 nan 8.360 nan 0.000 0.409 429 M N 5.041 124.677 119.600 0.060 0.000 2.060 429 M HA 0.238 4.718 4.480 -0.000 0.000 0.342 429 M C -0.870 175.162 176.300 -0.446 0.000 1.031 429 M CA -0.755 54.499 55.300 -0.077 0.000 0.981 429 M CB 1.547 34.132 32.600 -0.026 0.000 1.376 429 M HN 0.212 nan 8.290 nan 0.000 0.397 430 V N 3.264 122.755 119.914 -0.706 0.000 2.546 430 V HA 0.152 4.272 4.120 -0.000 0.000 0.284 430 V C 0.325 175.839 176.094 -0.967 0.000 1.050 430 V CA -0.512 61.109 62.300 -1.131 0.000 0.981 430 V CB 0.745 31.308 31.823 -2.100 0.000 0.990 430 V HN 0.605 nan 8.190 nan 0.000 0.474 431 H N 3.210 121.905 119.070 -0.625 0.000 2.820 431 H HA 0.308 4.864 4.556 -0.000 0.000 0.278 431 H C -0.720 174.158 175.328 -0.749 0.000 1.142 431 H CA -0.526 55.184 56.048 -0.564 0.000 1.346 431 H CB 0.801 30.254 29.762 -0.516 0.000 1.438 431 H HN 0.578 nan 8.280 nan 0.000 0.473 432 D N 2.274 122.420 120.400 -0.422 0.000 2.414 432 D HA 0.249 4.889 4.640 -0.000 0.000 0.232 432 D C 0.668 176.870 176.300 -0.163 0.000 1.070 432 D CA -0.676 53.179 54.000 -0.241 0.000 0.839 432 D CB 0.997 41.804 40.800 0.011 0.000 1.079 432 D HN 0.714 nan 8.370 nan 0.000 0.521 433 G N 2.172 110.841 108.800 -0.218 0.000 4.250 433 G HA2 0.553 4.513 3.960 -0.000 0.000 0.295 433 G HA3 0.553 4.513 3.960 -0.000 0.000 0.295 433 G C 0.628 175.459 174.900 -0.115 0.000 1.081 433 G CA 0.061 45.052 45.100 -0.182 0.000 0.854 433 G HN 0.875 nan 8.290 nan 0.000 0.524 434 G N 0.984 109.753 108.800 -0.051 0.000 2.728 434 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.294 434 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.294 434 G C 0.738 175.598 174.900 -0.066 0.000 1.342 434 G CA 0.037 45.112 45.100 -0.041 0.000 0.866 434 G HN 0.821 nan 8.290 nan 0.000 0.534 435 K N -0.543 119.823 120.400 -0.056 0.000 2.400 435 K HA 0.242 4.562 4.320 -0.000 0.000 0.194 435 K C 1.150 177.740 176.600 -0.017 0.000 1.033 435 K CA 1.305 57.559 56.287 -0.054 0.000 1.021 435 K CB 0.322 32.794 32.500 -0.047 0.000 0.808 435 K HN 0.319 nan 8.250 nan 0.000 0.505 436 E N 1.289 121.480 120.200 -0.015 0.000 2.502 436 E HA 0.025 4.375 4.350 -0.000 0.000 0.194 436 E C 0.110 176.732 176.600 0.037 0.000 1.062 436 E CA 0.378 56.786 56.400 0.014 0.000 0.867 436 E CB 0.588 30.292 29.700 0.007 0.000 0.888 436 E HN 0.321 nan 8.360 nan 0.000 0.510 437 T N -0.742 113.804 114.554 -0.012 0.000 2.681 437 T HA 0.341 4.691 4.350 -0.000 0.000 0.296 437 T C -1.248 173.357 174.700 -0.158 0.000 1.157 437 T CA -0.995 61.070 62.100 -0.058 0.000 1.025 437 T CB 0.668 69.394 68.868 -0.238 0.000 1.441 437 T HN 0.191 nan 8.240 nan 0.000 0.504 438 W N 2.048 123.060 121.300 -0.480 0.000 2.170 438 W HA 0.436 5.096 4.660 -0.000 0.000 0.336 438 W C -0.547 175.838 176.519 -0.223 0.000 1.283 438 W CA -0.441 56.594 57.345 -0.517 0.000 1.224 438 W CB -0.319 28.499 29.460 -1.070 0.000 1.132 438 W HN 0.635 nan 8.180 nan 0.000 0.571 439 H N 1.855 120.879 119.070 -0.076 0.000 2.800 439 H HA 0.357 4.913 4.556 -0.000 0.000 0.322 439 H C -1.196 174.140 175.328 0.013 0.000 0.979 439 H CA 0.049 55.991 56.048 -0.176 0.000 1.277 439 H CB 1.896 31.559 29.762 -0.165 0.000 1.484 439 H HN 0.545 nan 8.280 nan 0.000 0.512 440 S N 2.961 118.546 115.700 -0.192 0.000 2.790 440 S HA 0.866 5.336 4.470 -0.000 0.000 0.292 440 S C -1.654 172.850 174.600 -0.160 0.000 1.197 440 S CA 0.024 58.212 58.200 -0.019 0.000 0.851 440 S CB 1.684 64.947 63.200 0.105 0.000 1.217 440 S HN 0.824 nan 8.310 nan 0.000 0.526 441 A N 0.187 123.026 122.820 0.032 0.000 2.572 441 A HA 0.913 5.233 4.320 -0.000 0.000 0.295 441 A C -0.622 177.034 177.584 0.119 0.000 1.072 441 A CA -0.128 51.821 52.037 -0.146 0.000 0.691 441 A CB 1.096 20.001 19.000 -0.159 0.000 1.291 441 A HN 1.435 nan 8.150 nan 0.000 0.404 442 A N 0.160 122.975 122.820 -0.008 0.000 2.281 442 A HA 0.876 5.196 4.320 -0.000 0.000 0.329 442 A C -0.080 177.601 177.584 0.163 0.000 1.122 442 A CA -0.400 51.734 52.037 0.161 0.000 0.850 442 A CB 0.783 19.877 19.000 0.157 0.000 1.207 442 A HN 1.010 nan 8.150 nan 0.000 0.495 443 T N 1.139 115.824 114.554 0.217 0.000 2.840 443 T HA 0.621 4.971 4.350 -0.000 0.000 0.287 443 T C -0.259 174.548 174.700 0.178 0.000 0.991 443 T CA 0.041 62.288 62.100 0.246 0.000 0.964 443 T CB 1.334 70.369 68.868 0.278 0.000 0.954 443 T HN 1.094 nan 8.240 nan 0.000 0.438 444 A N 3.500 126.440 122.820 0.201 0.000 2.301 444 A HA 0.831 5.150 4.320 -0.000 0.000 0.312 444 A C -0.524 177.199 177.584 0.232 0.000 1.182 444 A CA -0.622 51.538 52.037 0.205 0.000 0.826 444 A CB 0.135 19.297 19.000 0.271 0.000 1.134 444 A HN 0.779 nan 8.150 nan 0.000 0.501 445 I N 1.627 122.309 120.570 0.186 0.000 2.406 445 I HA 0.388 4.558 4.170 -0.000 0.000 0.290 445 I C -1.052 175.126 176.117 0.103 0.000 0.999 445 I CA 0.002 61.430 61.300 0.212 0.000 1.124 445 I CB 1.434 39.559 38.000 0.208 0.000 1.289 445 I HN 0.610 nan 8.210 nan 0.000 0.441 446 Y N 4.226 124.576 120.300 0.084 0.000 2.376 446 Y HA 0.642 5.192 4.550 -0.000 0.000 0.340 446 Y C -0.253 175.616 175.900 -0.051 0.000 0.965 446 Y CA -0.451 57.703 58.100 0.090 0.000 1.078 446 Y CB 1.947 40.533 38.460 0.209 0.000 1.193 446 Y HN 0.500 nan 8.280 nan 0.000 0.452 447 c N 3.158 121.617 118.600 -0.235 0.000 2.889 447 c HA 0.452 5.022 4.570 -0.000 0.000 0.307 447 c C -0.458 172.941 174.090 -1.152 0.000 1.251 447 c CA -1.183 54.710 56.329 -0.726 0.000 1.593 447 c CB 1.697 43.939 42.510 -0.446 0.000 2.104 447 c HN 0.761 nan 8.230 nan 0.000 0.476 448 L N 4.018 124.247 121.223 -1.657 0.000 2.477 448 L HA 0.444 4.783 4.340 -0.000 0.000 0.272 448 L C -0.066 176.506 176.870 -0.498 0.000 1.157 448 L CA 1.178 55.357 54.840 -1.101 0.000 0.889 448 L CB -0.064 41.461 42.059 -0.890 0.000 1.158 448 L HN 0.784 nan 8.230 nan 0.000 0.473 449 M N 4.834 124.257 119.600 -0.296 0.000 2.265 449 M HA 0.668 5.148 4.480 -0.000 0.000 0.262 449 M C 0.052 176.305 176.300 -0.078 0.000 1.026 449 M CA -0.111 55.090 55.300 -0.165 0.000 0.987 449 M CB 1.202 33.708 32.600 -0.156 0.000 1.937 449 M HN 0.791 nan 8.290 nan 0.000 0.481 450 G N 2.913 111.682 108.800 -0.051 0.000 2.645 450 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.239 450 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.239 450 G C -0.526 174.385 174.900 0.017 0.000 1.331 450 G CA -0.036 45.055 45.100 -0.016 0.000 0.890 450 G HN 1.683 nan 8.290 nan 0.000 0.572 451 S N -1.102 114.614 115.700 0.027 0.000 2.759 451 S HA 1.035 5.505 4.470 -0.000 0.000 0.310 451 S C 0.957 175.591 174.600 0.056 0.000 1.123 451 S CA 0.619 58.851 58.200 0.052 0.000 0.959 451 S CB 1.612 64.835 63.200 0.039 0.000 1.172 451 S HN 3.024 nan 8.310 nan 0.000 0.539 452 G N 0.209 109.051 108.800 0.069 0.000 2.475 452 G HA2 0.103 4.063 3.960 -0.000 0.000 0.223 452 G HA3 0.103 4.063 3.960 -0.000 0.000 0.223 452 G C -1.299 173.660 174.900 0.098 0.000 1.201 452 G CA 0.002 45.143 45.100 0.067 0.000 0.962 452 G HN 1.284 nan 8.290 nan 0.000 0.586 453 Q N -0.380 119.475 119.800 0.091 0.000 2.458 453 Q HA 0.726 5.066 4.340 -0.000 0.000 0.282 453 Q C -0.362 175.714 176.000 0.126 0.000 1.106 453 Q CA -1.066 54.806 55.803 0.115 0.000 0.814 453 Q CB 2.236 31.028 28.738 0.090 0.000 1.425 453 Q HN 1.312 nan 8.270 nan 0.000 0.437 454 L N 1.583 122.900 121.223 0.157 0.000 2.410 454 L HA -0.015 4.325 4.340 -0.000 0.000 0.273 454 L C -0.020 176.955 176.870 0.175 0.000 1.152 454 L CA -0.234 54.722 54.840 0.193 0.000 0.855 454 L CB 0.299 42.490 42.059 0.219 0.000 1.129 454 L HN 0.584 nan 8.230 nan 0.000 0.463 455 L N 5.085 126.423 121.223 0.191 0.000 2.316 455 L HA 0.236 4.575 4.340 -0.000 0.000 0.207 455 L C -0.132 176.936 176.870 0.330 0.000 1.070 455 L CA 0.816 55.757 54.840 0.168 0.000 0.820 455 L CB -0.499 41.587 42.059 0.046 0.000 0.992 455 L HN 0.595 nan 8.230 nan 0.000 0.466 456 W N 1.010 122.393 121.300 0.137 0.000 2.936 456 W HA 0.334 4.994 4.660 -0.000 0.000 0.338 456 W C -0.278 176.374 176.519 0.221 0.000 1.121 456 W CA -1.700 55.724 57.345 0.133 0.000 1.209 456 W CB 1.165 30.674 29.460 0.082 0.000 1.420 456 W HN 0.057 nan 8.180 nan 0.000 0.516 457 D N 0.681 121.181 120.400 0.166 0.000 2.466 457 D HA 0.506 5.146 4.640 -0.000 0.000 0.262 457 D C -0.768 175.551 176.300 0.031 0.000 1.177 457 D CA -0.222 53.846 54.000 0.115 0.000 1.035 457 D CB 1.400 42.203 40.800 0.005 0.000 1.105 457 D HN 0.098 nan 8.370 nan 0.000 0.551 458 T N -0.290 114.320 114.554 0.093 0.000 2.841 458 T HA 0.497 4.847 4.350 -0.000 0.000 0.283 458 T C -0.160 174.543 174.700 0.004 0.000 1.000 458 T CA -0.767 61.369 62.100 0.060 0.000 0.977 458 T CB 1.463 70.455 68.868 0.207 0.000 0.979 458 T HN 0.492 nan 8.240 nan 0.000 0.446 459 V N 0.509 120.401 119.914 -0.037 0.000 2.864 459 V HA 0.690 4.810 4.120 -0.000 0.000 0.314 459 V C 1.197 177.304 176.094 0.021 0.000 1.073 459 V CA -0.457 61.833 62.300 -0.016 0.000 0.956 459 V CB 1.383 33.172 31.823 -0.057 0.000 1.023 459 V HN 0.949 nan 8.190 nan 0.000 0.435 460 T N -0.854 113.735 114.554 0.059 0.000 2.951 460 T HA 0.181 4.531 4.350 -0.000 0.000 0.268 460 T C 1.698 176.435 174.700 0.062 0.000 1.073 460 T CA 1.446 63.614 62.100 0.113 0.000 1.134 460 T CB -0.547 68.482 68.868 0.268 0.000 0.884 460 T HN 2.593 nan 8.240 nan 0.000 0.479 461 G N 0.646 109.462 108.800 0.027 0.000 2.166 461 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 461 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 461 G C 0.075 174.964 174.900 -0.018 0.000 0.986 461 G CA 0.189 45.283 45.100 -0.011 0.000 0.683 461 G HN 0.779 nan 8.290 nan 0.000 0.527 462 V N 1.040 120.962 119.914 0.013 0.000 2.407 462 V HA 0.462 4.582 4.120 -0.000 0.000 0.278 462 V C -0.008 176.083 176.094 -0.004 0.000 1.037 462 V CA -0.757 61.524 62.300 -0.031 0.000 0.900 462 V CB 1.818 33.556 31.823 -0.143 0.000 0.983 462 V HN 0.319 nan 8.190 nan 0.000 0.459 463 D N 4.583 124.980 120.400 -0.004 0.000 2.359 463 D HA 0.300 4.940 4.640 -0.000 0.000 0.230 463 D C 0.782 177.112 176.300 0.051 0.000 1.118 463 D CA -0.244 53.764 54.000 0.013 0.000 0.844 463 D CB 1.555 42.361 40.800 0.010 0.000 1.059 463 D HN 0.470 nan 8.370 nan 0.000 0.493 464 M N 2.497 122.116 119.600 0.032 0.000 2.476 464 M HA -0.046 4.434 4.480 -0.000 0.000 0.262 464 M C 1.793 178.161 176.300 0.112 0.000 1.079 464 M CA 0.463 55.803 55.300 0.067 0.000 1.104 464 M CB 0.195 32.671 32.600 -0.207 0.000 1.409 464 M HN 0.469 nan 8.290 nan 0.000 0.467 465 A N 0.478 123.334 122.820 0.061 0.000 2.119 465 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 465 A C 1.204 178.842 177.584 0.090 0.000 1.153 465 A CA 0.575 52.651 52.037 0.066 0.000 0.692 465 A CB -0.363 18.657 19.000 0.034 0.000 0.799 465 A HN 0.352 nan 8.150 nan 0.000 0.458 466 L N 0.000 121.278 121.223 0.092 0.000 2.949 466 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 466 L CA 0.000 54.881 54.840 0.068 0.000 0.813 466 L CB 0.000 42.081 42.059 0.037 0.000 0.961 466 L HN 0.000 nan 8.230 nan 0.000 0.502