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 3k3a_1_I 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 0.000 177.198 177.300 -0.170 0.000 1.155 78 P CA 0.000 63.044 63.100 -0.093 0.000 0.800 78 P CB 0.000 31.652 31.700 -0.079 0.000 0.726 79 E N -0.190 119.924 120.200 -0.144 0.000 2.339 79 E HA 0.380 4.730 4.350 0.001 0.000 0.262 79 E C -0.738 175.784 176.600 -0.130 0.000 0.934 79 E CA -0.392 55.887 56.400 -0.202 0.000 0.802 79 E CB 1.119 30.788 29.700 -0.051 0.000 1.275 79 E HN 0.398 nan 8.360 nan 0.000 0.427 80 W N 0.486 121.800 121.300 0.024 0.000 2.158 80 W HA 0.136 4.796 4.660 0.001 0.000 0.339 80 W C 1.143 177.601 176.519 -0.101 0.000 1.294 80 W CA 0.069 57.367 57.345 -0.078 0.000 1.231 80 W CB 0.408 29.763 29.460 -0.174 0.000 1.143 80 W HN 0.134 nan 8.180 nan 0.000 0.571 81 T N 2.093 116.702 114.554 0.091 0.000 2.928 81 T HA 0.493 4.843 4.350 0.001 0.000 0.284 81 T C -1.295 173.215 174.700 -0.317 0.000 1.008 81 T CA -0.284 61.818 62.100 0.002 0.000 1.057 81 T CB 0.375 69.268 68.868 0.042 0.000 1.018 81 T HN 0.259 nan 8.240 nan 0.000 0.493 82 Y N 2.445 122.710 120.300 -0.058 0.000 2.553 82 Y HA 0.482 5.032 4.550 0.001 0.000 0.347 82 Y C -1.994 173.757 175.900 -0.247 0.000 1.019 82 Y CA -2.366 55.615 58.100 -0.199 0.000 1.032 82 Y CB 1.650 40.023 38.460 -0.146 0.000 1.284 82 Y HN 0.512 nan 8.280 nan 0.000 0.466 83 P HA 0.237 nan 4.420 nan 0.000 0.268 83 P C -0.934 176.326 177.300 -0.066 0.000 1.204 83 P CA -0.052 62.926 63.100 -0.203 0.000 0.768 83 P CB 1.215 32.698 31.700 -0.361 0.000 0.842 84 R N 1.237 121.728 120.500 -0.015 0.000 3.006 84 R HA 0.571 4.912 4.340 0.001 0.000 0.235 84 R C -0.344 175.963 176.300 0.012 0.000 1.362 84 R CA -1.212 54.887 56.100 -0.002 0.000 1.067 84 R CB 0.020 30.325 30.300 0.009 0.000 1.396 84 R HN 0.237 nan 8.270 nan 0.000 0.504 85 L N 1.140 122.371 121.223 0.014 0.000 2.455 85 L HA 0.154 4.494 4.340 0.001 0.000 0.272 85 L C -0.079 176.813 176.870 0.036 0.000 1.174 85 L CA 0.649 55.506 54.840 0.028 0.000 0.869 85 L CB 0.804 42.877 42.059 0.023 0.000 1.130 85 L HN 0.587 nan 8.230 nan 0.000 0.474 86 S N 1.653 117.386 115.700 0.056 0.000 2.573 86 S HA 0.100 4.570 4.470 0.001 0.000 0.277 86 S C 0.179 174.803 174.600 0.040 0.000 1.346 86 S CA -0.817 57.414 58.200 0.053 0.000 1.034 86 S CB 0.269 63.521 63.200 0.087 0.000 0.879 86 S HN 0.703 nan 8.310 nan 0.000 0.528 87 c N 3.429 122.038 118.600 0.017 0.000 2.689 87 c HA 0.261 4.831 4.570 0.001 0.000 0.409 87 c C -1.764 172.340 174.090 0.024 0.000 1.293 87 c CA -1.120 55.214 56.329 0.008 0.000 2.136 87 c CB -1.024 41.476 42.510 -0.018 0.000 2.719 87 c HN 0.608 nan 8.230 nan 0.000 0.644 88 P HA 0.417 nan 4.420 nan 0.000 0.266 88 P C 0.026 177.347 177.300 0.035 0.000 1.195 88 P CA 1.020 64.142 63.100 0.036 0.000 0.768 88 P CB 0.214 31.928 31.700 0.023 0.000 0.838 89 G N 0.109 108.951 108.800 0.070 0.000 2.358 89 G HA2 0.363 4.323 3.960 0.001 0.000 0.301 89 G HA3 0.363 4.323 3.960 0.001 0.000 0.301 89 G C -0.379 174.622 174.900 0.168 0.000 1.539 89 G CA -0.243 44.906 45.100 0.082 0.000 0.893 89 G HN 0.401 nan 8.290 nan 0.000 0.636 90 S N -1.557 114.257 115.700 0.190 0.000 2.847 90 S HA 0.574 5.044 4.470 0.001 0.000 0.254 90 S C 0.324 175.157 174.600 0.388 0.000 1.039 90 S CA 0.565 58.952 58.200 0.311 0.000 1.113 90 S CB 1.039 64.363 63.200 0.206 0.000 1.092 90 S HN 1.293 nan 8.310 nan 0.000 0.620 91 T N 1.292 116.006 114.554 0.266 0.000 2.956 91 T HA 0.645 4.995 4.350 0.001 0.000 0.312 91 T C -1.619 173.179 174.700 0.164 0.000 1.151 91 T CA -0.455 61.803 62.100 0.263 0.000 1.024 91 T CB 0.632 69.625 68.868 0.209 0.000 1.140 91 T HN 0.066 nan 8.240 nan 0.000 0.473 92 F N 3.289 123.086 119.950 -0.255 0.000 2.418 92 F HA 0.553 5.081 4.527 0.001 0.000 0.341 92 F C 1.032 176.839 175.800 0.013 0.000 1.120 92 F CA -0.323 57.546 58.000 -0.217 0.000 1.232 92 F CB 0.947 39.772 39.000 -0.292 0.000 1.175 92 F HN 0.406 nan 8.300 nan 0.000 0.569 93 Q N 0.785 120.677 119.800 0.153 0.000 2.528 93 Q HA 0.272 4.612 4.340 0.001 0.000 0.289 93 Q C -0.967 175.083 176.000 0.084 0.000 1.091 93 Q CA -1.207 54.702 55.803 0.177 0.000 0.797 93 Q CB 2.423 31.190 28.738 0.048 0.000 1.466 93 Q HN 0.515 nan 8.270 nan 0.000 0.436 94 K N 0.169 120.514 120.400 -0.092 0.000 2.339 94 K HA 0.398 4.718 4.320 0.001 0.000 0.286 94 K C 0.042 176.425 176.600 -0.362 0.000 1.050 94 K CA 0.400 56.276 56.287 -0.685 0.000 0.956 94 K CB 0.616 32.918 32.500 -0.331 0.000 0.990 94 K HN 0.671 nan 8.250 nan 0.000 0.475 95 A N 4.709 127.289 122.820 -0.399 0.000 1.983 95 A HA 0.254 4.575 4.320 0.001 0.000 0.207 95 A C -0.347 177.162 177.584 -0.124 0.000 1.412 95 A CA 0.167 52.088 52.037 -0.193 0.000 0.750 95 A CB 0.190 19.098 19.000 -0.154 0.000 1.047 95 A HN 0.581 nan 8.150 nan 0.000 0.504 96 L N -1.119 120.029 121.223 -0.125 0.000 2.545 96 L HA 0.686 5.026 4.340 0.001 0.000 0.258 96 L C -2.011 174.830 176.870 -0.048 0.000 0.942 96 L CA -0.536 54.269 54.840 -0.058 0.000 0.855 96 L CB 2.100 44.144 42.059 -0.024 0.000 1.374 96 L HN 0.265 nan 8.230 nan 0.000 0.411 97 L N 5.298 126.509 121.223 -0.020 0.000 2.313 97 L HA 0.664 5.004 4.340 0.001 0.000 0.283 97 L C -1.270 175.612 176.870 0.020 0.000 1.013 97 L CA -0.219 54.622 54.840 0.002 0.000 0.816 97 L CB 1.412 43.472 42.059 0.001 0.000 1.236 97 L HN 0.477 nan 8.230 nan 0.000 0.419 98 I N 4.422 125.011 120.570 0.032 0.000 2.361 98 I HA 0.246 4.416 4.170 0.001 0.000 0.282 98 I C 0.117 176.293 176.117 0.099 0.000 1.075 98 I CA 0.000 61.341 61.300 0.068 0.000 1.205 98 I CB 0.673 38.715 38.000 0.070 0.000 1.406 98 I HN 0.654 nan 8.210 nan 0.000 0.481 99 S N 8.295 124.028 115.700 0.056 0.000 2.426 99 S HA 0.443 4.913 4.470 0.001 0.000 0.236 99 S C -1.581 172.971 174.600 -0.081 0.000 1.368 99 S CA -1.270 56.955 58.200 0.041 0.000 1.154 99 S CB 0.755 63.960 63.200 0.009 0.000 1.037 99 S HN 0.277 nan 8.310 nan 0.000 0.481 100 P HA -0.019 nan 4.420 nan 0.000 0.225 100 P C 0.796 177.880 177.300 -0.360 0.000 1.156 100 P CA 0.765 63.780 63.100 -0.142 0.000 0.787 100 P CB 0.003 31.561 31.700 -0.237 0.000 0.802 101 H N -0.985 117.978 119.070 -0.179 0.000 2.547 101 H HA 0.179 4.735 4.556 0.001 0.000 0.266 101 H C 1.643 176.769 175.328 -0.336 0.000 0.988 101 H CA 0.380 56.240 56.048 -0.314 0.000 1.147 101 H CB 0.021 29.499 29.762 -0.473 0.000 1.365 101 H HN 0.004 nan 8.280 nan 0.000 0.589 102 R N 0.401 120.652 120.500 -0.414 0.000 2.316 102 R HA -0.099 4.241 4.340 0.001 0.000 0.232 102 R C 0.376 176.320 176.300 -0.592 0.000 1.137 102 R CA 0.657 56.397 56.100 -0.601 0.000 1.012 102 R CB -0.289 29.434 30.300 -0.962 0.000 0.859 102 R HN 0.294 nan 8.270 nan 0.000 0.474 103 F N -2.498 117.406 119.950 -0.077 0.000 2.798 103 F HA 0.324 4.851 4.527 0.001 0.000 0.328 103 F C 1.568 177.310 175.800 -0.096 0.000 1.098 103 F CA -0.544 57.407 58.000 -0.081 0.000 1.172 103 F CB 0.219 39.162 39.000 -0.096 0.000 1.072 103 F HN -0.143 nan 8.300 nan 0.000 0.555 104 G N 0.470 109.270 108.800 -0.000 0.000 3.814 104 G HA2 0.246 4.206 3.960 0.001 0.000 0.293 104 G HA3 0.246 4.206 3.960 0.001 0.000 0.293 104 G C -0.138 174.730 174.900 -0.054 0.000 1.243 104 G CA -0.221 44.844 45.100 -0.059 0.000 1.053 104 G HN 0.103 nan 8.290 nan 0.000 0.562 105 E N -0.410 119.792 120.200 0.004 0.000 2.373 105 E HA 0.272 4.622 4.350 0.001 0.000 0.267 105 E C 1.413 178.031 176.600 0.030 0.000 1.032 105 E CA -0.162 56.253 56.400 0.024 0.000 0.889 105 E CB 0.898 30.620 29.700 0.036 0.000 0.984 105 E HN -0.026 nan 8.360 nan 0.000 0.425 106 T N 2.552 117.132 114.554 0.043 0.000 2.653 106 T HA -0.229 4.122 4.350 0.001 0.000 0.267 106 T C 1.261 175.979 174.700 0.030 0.000 1.037 106 T CA 1.533 63.658 62.100 0.042 0.000 1.159 106 T CB -0.058 68.841 68.868 0.052 0.000 0.859 106 T HN 0.346 nan 8.240 nan 0.000 0.449 107 K N 0.809 121.227 120.400 0.031 0.000 2.486 107 K HA 0.148 4.469 4.320 0.001 0.000 0.194 107 K C 1.273 177.888 176.600 0.026 0.000 1.033 107 K CA 0.170 56.473 56.287 0.026 0.000 1.004 107 K CB -0.229 32.288 32.500 0.028 0.000 0.798 107 K HN 0.427 nan 8.250 nan 0.000 0.495 108 G N 0.867 109.685 108.800 0.030 0.000 2.583 108 G HA2 0.197 4.157 3.960 0.001 0.000 0.280 108 G HA3 0.197 4.157 3.960 0.001 0.000 0.280 108 G C -0.030 174.880 174.900 0.016 0.000 1.376 108 G CA -0.479 44.640 45.100 0.032 0.000 1.043 108 G HN 0.087 nan 8.290 nan 0.000 0.538 109 N N -0.427 118.277 118.700 0.007 0.000 2.545 109 N HA 0.231 4.972 4.740 0.001 0.000 0.283 109 N C -0.826 174.667 175.510 -0.028 0.000 1.596 109 N CA -0.155 52.888 53.050 -0.011 0.000 0.862 109 N CB 1.281 39.757 38.487 -0.019 0.000 1.422 109 N HN 0.271 nan 8.380 nan 0.000 0.489 110 S N -0.038 115.652 115.700 -0.017 0.000 2.634 110 S HA 0.803 5.273 4.470 0.001 0.000 0.296 110 S C -0.342 174.246 174.600 -0.020 0.000 1.104 110 S CA -0.678 57.500 58.200 -0.037 0.000 0.920 110 S CB 2.498 65.669 63.200 -0.047 0.000 1.111 110 S HN 0.217 nan 8.310 nan 0.000 0.493 111 A N 2.672 125.472 122.820 -0.033 0.000 3.216 111 A HA 0.563 4.883 4.320 0.001 0.000 0.321 111 A C -2.931 174.625 177.584 -0.047 0.000 1.042 111 A CA -1.475 50.547 52.037 -0.024 0.000 0.838 111 A CB 0.069 19.063 19.000 -0.009 0.000 1.136 111 A HN 0.450 nan 8.150 nan 0.000 0.483 112 P HA 0.219 nan 4.420 nan 0.000 0.271 112 P C -0.165 177.072 177.300 -0.106 0.000 1.218 112 P CA 0.118 63.116 63.100 -0.170 0.000 0.780 112 P CB 1.023 32.479 31.700 -0.406 0.000 0.901 113 L N 3.127 124.296 121.223 -0.090 0.000 2.395 113 L HA 0.289 4.629 4.340 0.001 0.000 0.269 113 L C 0.977 177.899 176.870 0.086 0.000 1.133 113 L CA -0.729 54.106 54.840 -0.009 0.000 0.812 113 L CB 0.293 42.300 42.059 -0.086 0.000 1.125 113 L HN 0.262 nan 8.230 nan 0.000 0.452 114 I N 4.424 125.098 120.570 0.173 0.000 2.379 114 I HA 0.155 4.325 4.170 0.001 0.000 0.290 114 I C 0.021 176.283 176.117 0.241 0.000 1.063 114 I CA 0.033 61.487 61.300 0.257 0.000 1.351 114 I CB 0.454 38.621 38.000 0.279 0.000 1.410 114 I HN 0.433 nan 8.210 nan 0.000 0.505 115 I N 4.933 125.640 120.570 0.229 0.000 3.322 115 I HA 0.748 4.918 4.170 0.001 0.000 0.313 115 I C -0.384 175.831 176.117 0.164 0.000 1.129 115 I CA -0.772 60.619 61.300 0.152 0.000 0.963 115 I CB 1.864 39.891 38.000 0.044 0.000 1.273 115 I HN 0.409 nan 8.210 nan 0.000 0.473 116 R N -0.339 120.230 120.500 0.115 0.000 2.902 116 R HA 0.372 4.713 4.340 0.001 0.000 0.264 116 R C -1.139 175.227 176.300 0.112 0.000 1.059 116 R CA -0.961 55.192 56.100 0.089 0.000 0.935 116 R CB 1.332 31.692 30.300 0.101 0.000 1.325 116 R HN 0.773 nan 8.270 nan 0.000 0.438 117 E N 0.679 120.955 120.200 0.127 0.000 2.183 117 E HA -0.165 4.186 4.350 0.001 0.000 0.196 117 E C -2.426 174.353 176.600 0.297 0.000 1.364 117 E CA 0.425 56.980 56.400 0.259 0.000 0.700 117 E CB -1.073 28.796 29.700 0.281 0.000 1.106 117 E HN 0.227 nan 8.360 nan 0.000 0.347 118 P HA 0.298 nan 4.420 nan 0.000 0.272 118 P C -0.227 177.108 177.300 0.059 0.000 1.240 118 P CA -0.042 63.169 63.100 0.184 0.000 0.791 118 P CB 0.446 32.347 31.700 0.334 0.000 0.978 119 F N -2.010 117.742 119.950 -0.331 0.000 2.725 119 F HA 0.570 5.098 4.527 0.001 0.000 0.311 119 F C -1.934 173.663 175.800 -0.339 0.000 1.121 119 F CA -1.208 56.181 58.000 -1.020 0.000 0.978 119 F CB 0.217 38.741 39.000 -0.793 0.000 1.274 119 F HN 0.041 nan 8.300 nan 0.000 0.440 120 I N 2.733 123.125 120.570 -0.297 0.000 2.412 120 I HA 0.829 5.000 4.170 0.001 0.000 0.296 120 I C -0.252 175.942 176.117 0.128 0.000 0.987 120 I CA -1.007 60.164 61.300 -0.213 0.000 1.180 120 I CB 1.882 39.363 38.000 -0.865 0.000 1.340 120 I HN 0.967 nan 8.210 nan 0.000 0.455 121 A N 5.030 128.086 122.820 0.393 0.000 2.414 121 A HA 0.799 5.120 4.320 0.001 0.000 0.306 121 A C -1.188 176.763 177.584 0.612 0.000 1.054 121 A CA -0.428 51.945 52.037 0.560 0.000 0.724 121 A CB 1.356 20.796 19.000 0.734 0.000 1.267 121 A HN 0.767 nan 8.150 nan 0.000 0.418 122 c N 0.814 119.689 118.600 0.459 0.000 2.614 122 c HA 0.935 5.505 4.570 0.001 0.000 0.320 122 c C 1.055 175.202 174.090 0.096 0.000 1.200 122 c CA -0.059 56.485 56.329 0.359 0.000 1.700 122 c CB 1.391 44.071 42.510 0.283 0.000 2.275 122 c HN 1.178 nan 8.230 nan 0.000 0.492 123 G N 1.150 109.919 108.800 -0.052 0.000 3.016 123 G HA2 0.610 4.570 3.960 0.001 0.000 0.270 123 G HA3 0.610 4.570 3.960 0.001 0.000 0.270 123 G C -2.127 172.618 174.900 -0.259 0.000 1.352 123 G CA -0.674 44.140 45.100 -0.476 0.000 1.060 123 G HN 0.409 nan 8.290 nan 0.000 0.538 124 P HA 0.024 nan 4.420 nan 0.000 0.223 124 P C 1.057 178.314 177.300 -0.072 0.000 1.151 124 P CA 1.308 64.331 63.100 -0.129 0.000 0.787 124 P CB 0.177 31.815 31.700 -0.104 0.000 0.788 125 K N -2.323 118.032 120.400 -0.076 0.000 2.425 125 K HA 0.277 4.598 4.320 0.001 0.000 0.201 125 K C 0.760 177.379 176.600 0.031 0.000 1.128 125 K CA -0.103 56.178 56.287 -0.010 0.000 1.000 125 K CB 0.914 33.413 32.500 -0.001 0.000 0.961 125 K HN -0.044 nan 8.250 nan 0.000 0.555 126 E N 0.505 120.745 120.200 0.066 0.000 2.340 126 E HA 0.339 4.690 4.350 0.001 0.000 0.273 126 E C -1.555 175.167 176.600 0.204 0.000 0.891 126 E CA -0.950 55.525 56.400 0.125 0.000 0.757 126 E CB 2.352 32.147 29.700 0.158 0.000 1.231 126 E HN 0.152 nan 8.360 nan 0.000 0.439 127 c N 3.430 122.122 118.600 0.153 0.000 2.298 127 c HA 0.476 5.047 4.570 0.001 0.000 0.323 127 c C -0.216 173.902 174.090 0.047 0.000 1.284 127 c CA -0.660 55.774 56.329 0.175 0.000 1.577 127 c CB 0.251 42.848 42.510 0.145 0.000 2.249 127 c HN 0.523 nan 8.230 nan 0.000 0.497 128 K N 1.772 122.167 120.400 -0.009 0.000 2.164 128 K HA 0.341 4.661 4.320 0.001 0.000 0.258 128 K C -0.424 175.912 176.600 -0.439 0.000 0.951 128 K CA -0.373 55.675 56.287 -0.399 0.000 0.844 128 K CB 1.250 33.191 32.500 -0.931 0.000 1.099 128 K HN 0.811 nan 8.250 nan 0.000 0.435 129 H N 3.903 122.611 119.070 -0.604 0.000 2.623 129 H HA 0.244 4.800 4.556 0.001 0.000 0.299 129 H C -1.106 173.848 175.328 -0.624 0.000 1.052 129 H CA -0.729 55.041 56.048 -0.463 0.000 1.231 129 H CB 0.328 29.926 29.762 -0.273 0.000 1.389 129 H HN 0.349 nan 8.280 nan 0.000 0.469 130 F N 2.948 122.554 119.950 -0.574 0.000 2.403 130 F HA 0.652 5.180 4.527 0.001 0.000 0.326 130 F C 0.283 175.657 175.800 -0.710 0.000 1.081 130 F CA -0.221 57.290 58.000 -0.815 0.000 1.041 130 F CB 1.857 39.980 39.000 -1.461 0.000 1.234 130 F HN 0.626 nan 8.300 nan 0.000 0.503 131 A N 1.268 123.928 122.820 -0.266 0.000 2.608 131 A HA 0.663 4.983 4.320 0.001 0.000 0.292 131 A C -1.903 175.657 177.584 -0.040 0.000 1.066 131 A CA -0.794 51.162 52.037 -0.135 0.000 0.676 131 A CB 1.023 19.898 19.000 -0.209 0.000 1.277 131 A HN 0.675 nan 8.150 nan 0.000 0.413 132 L N 1.829 123.073 121.223 0.036 0.000 2.261 132 L HA 0.452 4.793 4.340 0.001 0.000 0.289 132 L C 0.613 177.459 176.870 -0.039 0.000 1.059 132 L CA -0.258 54.596 54.840 0.022 0.000 0.816 132 L CB 1.320 43.423 42.059 0.074 0.000 1.191 132 L HN 0.790 nan 8.230 nan 0.000 0.431 133 T N 0.869 115.379 114.554 -0.073 0.000 2.922 133 T HA 0.202 4.552 4.350 0.001 0.000 0.285 133 T C 0.917 175.612 174.700 -0.007 0.000 1.005 133 T CA -0.339 61.729 62.100 -0.054 0.000 1.061 133 T CB 0.578 69.348 68.868 -0.165 0.000 1.007 133 T HN 0.505 nan 8.240 nan 0.000 0.502 134 H N 3.097 122.269 119.070 0.171 0.000 2.533 134 H HA 0.063 4.619 4.556 0.001 0.000 0.271 134 H C -0.234 175.278 175.328 0.306 0.000 1.000 134 H CA 0.133 56.323 56.048 0.236 0.000 1.149 134 H CB -0.089 29.805 29.762 0.221 0.000 1.375 134 H HN 0.789 nan 8.280 nan 0.000 0.582 135 Y N -0.174 120.258 120.300 0.220 0.000 3.305 135 Y HA -0.207 4.344 4.550 0.001 0.000 0.209 135 Y C -0.140 175.833 175.900 0.123 0.000 1.354 135 Y CA 0.277 58.484 58.100 0.178 0.000 1.392 135 Y CB -1.420 37.107 38.460 0.113 0.000 1.446 135 Y HN 0.402 nan 8.280 nan 0.000 0.553 136 A N -0.355 122.643 122.820 0.297 0.000 2.609 136 A HA 1.020 5.340 4.320 0.001 0.000 0.291 136 A C -1.016 176.714 177.584 0.242 0.000 1.096 136 A CA -0.196 52.017 52.037 0.293 0.000 0.684 136 A CB 1.223 20.442 19.000 0.366 0.000 1.282 136 A HN 1.295 nan 8.150 nan 0.000 0.412 137 A N 0.065 123.026 122.820 0.235 0.000 2.532 137 A HA 0.832 5.152 4.320 0.001 0.000 0.290 137 A C -0.986 176.708 177.584 0.184 0.000 1.143 137 A CA -0.494 51.640 52.037 0.161 0.000 0.728 137 A CB 1.633 20.693 19.000 0.100 0.000 1.317 137 A HN 0.859 nan 8.150 nan 0.000 0.414 138 Q N 1.062 120.903 119.800 0.067 0.000 2.331 138 Q HA 0.484 4.825 4.340 0.001 0.000 0.267 138 Q C -2.712 173.267 176.000 -0.035 0.000 1.006 138 Q CA -2.115 53.667 55.803 -0.035 0.000 0.818 138 Q CB 2.351 30.803 28.738 -0.476 0.000 1.276 138 Q HN 0.540 nan 8.270 nan 0.000 0.450 139 P HA 0.378 nan 4.420 nan 0.000 0.278 139 P C -0.619 176.729 177.300 0.080 0.000 1.238 139 P CA 0.089 63.251 63.100 0.104 0.000 0.794 139 P CB 1.653 33.393 31.700 0.067 0.000 0.955 140 G N -0.096 108.703 108.800 -0.002 0.000 2.731 140 G HA2 0.536 4.497 3.960 0.001 0.000 0.309 140 G HA3 0.536 4.497 3.960 0.001 0.000 0.309 140 G C -0.285 174.287 174.900 -0.546 0.000 1.273 140 G CA -0.198 44.809 45.100 -0.155 0.000 0.798 140 G HN 0.477 nan 8.290 nan 0.000 0.509 141 G N -1.628 106.870 108.800 -0.504 0.000 3.651 141 G HA2 0.349 4.310 3.960 0.001 0.000 0.267 141 G HA3 0.349 4.310 3.960 0.001 0.000 0.267 141 G C -0.310 174.160 174.900 -0.717 0.000 1.009 141 G CA 0.104 44.802 45.100 -0.670 0.000 0.866 141 G HN 0.335 nan 8.290 nan 0.000 0.488 142 Y N 0.504 120.703 120.300 -0.169 0.000 2.736 142 Y HA 0.351 4.901 4.550 0.001 0.000 0.293 142 Y C 1.218 177.217 175.900 0.166 0.000 1.062 142 Y CA -1.272 56.835 58.100 0.011 0.000 1.247 142 Y CB 0.068 38.571 38.460 0.071 0.000 1.200 142 Y HN 0.089 nan 8.280 nan 0.000 0.552 143 Y N -0.489 119.904 120.300 0.155 0.000 2.274 143 Y HA -0.175 4.375 4.550 0.001 0.000 0.290 143 Y C 1.237 177.191 175.900 0.090 0.000 1.145 143 Y CA 0.026 58.215 58.100 0.149 0.000 1.203 143 Y CB -0.656 37.902 38.460 0.164 0.000 0.984 143 Y HN 0.212 nan 8.280 nan 0.000 0.533 144 N N 0.442 119.276 118.700 0.223 0.000 2.434 144 N HA 0.244 4.985 4.740 0.001 0.000 0.268 144 N C 0.957 176.524 175.510 0.095 0.000 1.256 144 N CA 1.320 54.445 53.050 0.125 0.000 0.914 144 N CB 0.236 38.776 38.487 0.089 0.000 1.088 144 N HN 0.504 nan 8.380 nan 0.000 0.478 145 G N 1.860 110.678 108.800 0.030 0.000 2.159 145 G HA2 -0.279 3.682 3.960 0.001 0.000 0.227 145 G HA3 -0.279 3.682 3.960 0.001 0.000 0.227 145 G C 0.788 175.589 174.900 -0.166 0.000 0.986 145 G CA 0.524 45.618 45.100 -0.011 0.000 0.651 145 G HN 0.744 nan 8.290 nan 0.000 0.523 146 T N -2.295 112.115 114.554 -0.240 0.000 3.100 146 T HA 0.272 4.622 4.350 0.001 0.000 0.253 146 T C 1.819 176.265 174.700 -0.423 0.000 1.118 146 T CA 0.931 62.643 62.100 -0.646 0.000 1.058 146 T CB 0.058 68.816 68.868 -0.183 0.000 0.953 146 T HN 0.338 nan 8.240 nan 0.000 0.515 147 R N 0.749 121.082 120.500 -0.278 0.000 2.276 147 R HA 0.251 4.591 4.340 0.001 0.000 0.196 147 R C 1.575 177.764 176.300 -0.185 0.000 0.961 147 R CA 0.255 56.122 56.100 -0.388 0.000 1.024 147 R CB -0.121 29.951 30.300 -0.379 0.000 0.940 147 R HN 0.528 nan 8.270 nan 0.000 0.480 148 G N 0.029 108.779 108.800 -0.084 0.000 2.525 148 G HA2 -0.026 3.935 3.960 0.001 0.000 0.276 148 G HA3 -0.026 3.935 3.960 0.001 0.000 0.276 148 G C -0.066 174.924 174.900 0.151 0.000 1.388 148 G CA -0.218 44.896 45.100 0.025 0.000 1.050 148 G HN 0.028 nan 8.290 nan 0.000 0.520 149 D N -1.219 119.251 120.400 0.117 0.000 3.050 149 D HA 0.084 4.725 4.640 0.001 0.000 0.281 149 D C 0.670 177.002 176.300 0.052 0.000 1.246 149 D CA 0.241 54.317 54.000 0.126 0.000 1.073 149 D CB 0.571 41.407 40.800 0.060 0.000 1.382 149 D HN 0.245 nan 8.370 nan 0.000 0.433 150 R N 1.712 122.111 120.500 -0.168 0.000 2.233 150 R HA 0.412 4.753 4.340 0.001 0.000 0.334 150 R C -0.533 175.671 176.300 -0.161 0.000 1.037 150 R CA -0.372 55.455 56.100 -0.454 0.000 0.920 150 R CB 0.576 30.077 30.300 -1.332 0.000 1.137 150 R HN 0.206 nan 8.270 nan 0.000 0.492 151 N N -0.412 118.348 118.700 0.100 0.000 2.577 151 N HA 0.218 4.958 4.740 0.001 0.000 0.285 151 N C -0.173 175.493 175.510 0.260 0.000 1.309 151 N CA -1.170 51.976 53.050 0.161 0.000 0.798 151 N CB 1.198 39.791 38.487 0.177 0.000 1.463 151 N HN 0.076 nan 8.380 nan 0.000 0.518 152 K N -0.348 120.169 120.400 0.194 0.000 2.555 152 K HA 0.180 4.501 4.320 0.001 0.000 0.193 152 K C 0.537 177.245 176.600 0.180 0.000 1.032 152 K CA 0.623 57.015 56.287 0.176 0.000 1.004 152 K CB -0.315 32.252 32.500 0.112 0.000 0.804 152 K HN 0.473 nan 8.250 nan 0.000 0.496 153 L N -0.365 120.989 121.223 0.219 0.000 2.609 153 L HA 0.133 4.474 4.340 0.001 0.000 0.230 153 L C 0.737 177.916 176.870 0.516 0.000 1.087 153 L CA -0.349 54.652 54.840 0.268 0.000 0.874 153 L CB 0.272 42.431 42.059 0.166 0.000 1.114 153 L HN -0.038 nan 8.230 nan 0.000 0.488 154 R N 0.176 120.901 120.500 0.376 0.000 2.585 154 R HA 0.105 4.445 4.340 0.001 0.000 0.275 154 R C -1.034 175.449 176.300 0.306 0.000 1.018 154 R CA 0.607 56.886 56.100 0.299 0.000 1.072 154 R CB 0.103 30.532 30.300 0.215 0.000 0.953 154 R HN 0.040 nan 8.270 nan 0.000 0.419 155 H N 1.728 120.870 119.070 0.120 0.000 2.894 155 H HA 0.298 4.854 4.556 0.001 0.000 0.367 155 H C -1.315 173.999 175.328 -0.023 0.000 1.144 155 H CA -0.793 55.309 56.048 0.090 0.000 1.180 155 H CB 1.323 31.186 29.762 0.169 0.000 1.758 155 H HN 0.374 nan 8.280 nan 0.000 0.541 156 L N 4.201 125.470 121.223 0.077 0.000 2.360 156 L HA 0.370 4.711 4.340 0.001 0.000 0.276 156 L C -0.765 176.125 176.870 0.033 0.000 1.121 156 L CA -0.007 54.877 54.840 0.074 0.000 0.845 156 L CB -0.558 41.567 42.059 0.110 0.000 1.143 156 L HN 0.599 nan 8.230 nan 0.000 0.452 157 I N 1.913 122.439 120.570 -0.073 0.000 3.042 157 I HA 0.941 5.111 4.170 0.001 0.000 0.310 157 I C -0.521 175.500 176.117 -0.160 0.000 1.117 157 I CA -0.503 60.635 61.300 -0.270 0.000 1.003 157 I CB 2.208 39.800 38.000 -0.680 0.000 1.228 157 I HN 0.596 nan 8.210 nan 0.000 0.443 158 S N 2.239 117.761 115.700 -0.297 0.000 2.537 158 S HA 0.909 5.380 4.470 0.001 0.000 0.270 158 S C -0.901 173.447 174.600 -0.421 0.000 1.142 158 S CA -0.228 57.690 58.200 -0.469 0.000 0.870 158 S CB 1.492 64.327 63.200 -0.607 0.000 1.112 158 S HN 1.839 nan 8.310 nan 0.000 0.466 159 V N -0.357 119.297 119.914 -0.433 0.000 3.040 159 V HA 0.684 4.804 4.120 0.001 0.000 0.312 159 V C -0.174 175.753 176.094 -0.279 0.000 1.115 159 V CA -1.312 60.810 62.300 -0.296 0.000 0.998 159 V CB 1.550 33.248 31.823 -0.208 0.000 1.042 159 V HN 1.217 nan 8.190 nan 0.000 0.433 160 K N 1.915 122.198 120.400 -0.194 0.000 2.472 160 K HA 0.176 4.497 4.320 0.001 0.000 0.280 160 K C -0.253 176.293 176.600 -0.091 0.000 1.028 160 K CA -0.460 55.743 56.287 -0.140 0.000 1.045 160 K CB 0.550 32.997 32.500 -0.088 0.000 0.902 160 K HN 0.773 nan 8.250 nan 0.000 0.478 161 L N 4.974 126.153 121.223 -0.074 0.000 2.601 161 L HA 0.051 4.391 4.340 0.001 0.000 0.277 161 L C 1.055 177.912 176.870 -0.021 0.000 1.219 161 L CA 2.221 57.038 54.840 -0.038 0.000 0.915 161 L CB 0.212 42.246 42.059 -0.042 0.000 1.160 161 L HN 0.999 nan 8.230 nan 0.000 0.494 162 G N 2.758 111.552 108.800 -0.010 0.000 2.253 162 G HA2 -0.174 3.786 3.960 0.001 0.000 0.209 162 G HA3 -0.174 3.786 3.960 0.001 0.000 0.209 162 G C 0.172 175.074 174.900 0.003 0.000 0.997 162 G CA -0.181 44.918 45.100 -0.002 0.000 0.640 162 G HN 0.539 nan 8.290 nan 0.000 0.496 163 K N 1.169 121.565 120.400 -0.006 0.000 2.159 163 K HA 0.547 4.867 4.320 0.001 0.000 0.266 163 K C 0.539 177.140 176.600 0.001 0.000 0.975 163 K CA -0.904 55.370 56.287 -0.020 0.000 0.865 163 K CB 1.633 34.100 32.500 -0.056 0.000 1.087 163 K HN 0.150 nan 8.250 nan 0.000 0.446 164 I N 5.086 125.655 120.570 -0.001 0.000 2.587 164 I HA 0.007 4.178 4.170 0.001 0.000 0.284 164 I C -1.821 174.266 176.117 -0.049 0.000 1.134 164 I CA -2.178 59.132 61.300 0.016 0.000 1.410 164 I CB -0.097 37.927 38.000 0.039 0.000 1.392 164 I HN 0.149 nan 8.210 nan 0.000 0.545 165 P HA 0.125 nan 4.420 nan 0.000 0.268 165 P C -0.112 177.107 177.300 -0.136 0.000 1.541 165 P CA -0.149 62.862 63.100 -0.149 0.000 1.093 165 P CB -0.146 31.414 31.700 -0.233 0.000 1.551 166 T N -1.407 113.080 114.554 -0.111 0.000 2.910 166 T HA 0.275 4.626 4.350 0.001 0.000 0.279 166 T C 1.438 176.100 174.700 -0.063 0.000 0.989 166 T CA -0.700 61.347 62.100 -0.088 0.000 0.968 166 T CB 0.328 69.148 68.868 -0.081 0.000 1.135 166 T HN -0.072 nan 8.240 nan 0.000 0.562 167 V N 1.027 120.926 119.914 -0.025 0.000 2.343 167 V HA -0.134 3.986 4.120 0.001 0.000 0.247 167 V C 2.707 178.814 176.094 0.022 0.000 1.051 167 V CA 2.013 64.329 62.300 0.027 0.000 1.036 167 V CB -0.936 30.899 31.823 0.020 0.000 0.654 167 V HN 0.888 nan 8.190 nan 0.000 0.451 168 E N -0.333 119.853 120.200 -0.023 0.000 2.122 168 E HA -0.114 4.236 4.350 0.001 0.000 0.190 168 E C 2.036 178.607 176.600 -0.049 0.000 0.977 168 E CA 0.731 57.110 56.400 -0.035 0.000 0.820 168 E CB -0.184 29.488 29.700 -0.047 0.000 0.770 168 E HN 0.496 nan 8.360 nan 0.000 0.462 169 N N 0.872 119.531 118.700 -0.067 0.000 2.244 169 N HA -0.042 4.698 4.740 0.001 0.000 0.183 169 N C 0.468 175.911 175.510 -0.111 0.000 1.016 169 N CA 0.484 53.481 53.050 -0.088 0.000 0.866 169 N CB -0.029 38.399 38.487 -0.098 0.000 0.980 169 N HN -0.078 nan 8.380 nan 0.000 0.430 170 S N 0.298 115.928 115.700 -0.115 0.000 2.584 170 S HA 0.238 4.709 4.470 0.001 0.000 0.270 170 S C 0.349 174.875 174.600 -0.124 0.000 1.346 170 S CA -0.395 57.696 58.200 -0.182 0.000 1.018 170 S CB 1.268 64.302 63.200 -0.278 0.000 0.899 170 S HN 0.199 nan 8.310 nan 0.000 0.542 171 I N 1.168 121.596 120.570 -0.237 0.000 2.569 171 I HA 0.494 4.665 4.170 0.001 0.000 0.296 171 I C -1.556 174.363 176.117 -0.329 0.000 1.028 171 I CA -1.031 60.135 61.300 -0.222 0.000 1.082 171 I CB 0.936 38.721 38.000 -0.359 0.000 1.264 171 I HN 0.499 nan 8.210 nan 0.000 0.429 172 F N 6.523 126.244 119.950 -0.381 0.000 2.391 172 F HA 0.353 4.881 4.527 0.001 0.000 0.359 172 F C 1.238 176.877 175.800 -0.269 0.000 1.122 172 F CA -0.462 57.382 58.000 -0.259 0.000 1.120 172 F CB 0.743 39.636 39.000 -0.179 0.000 1.142 172 F HN 0.556 nan 8.300 nan 0.000 0.483 173 H N 3.749 122.838 119.070 0.031 0.000 2.329 173 H HA 0.175 4.732 4.556 0.001 0.000 0.306 173 H C 0.470 175.848 175.328 0.082 0.000 1.062 173 H CA 1.317 57.304 56.048 -0.102 0.000 1.364 173 H CB 0.470 30.043 29.762 -0.316 0.000 1.409 173 H HN 0.567 nan 8.280 nan 0.000 0.519 174 M N -1.600 118.167 119.600 0.278 0.000 2.790 174 M HA 0.574 5.054 4.480 0.001 0.000 0.272 174 M C -1.629 174.586 176.300 -0.142 0.000 1.168 174 M CA -0.965 54.460 55.300 0.208 0.000 0.829 174 M CB 2.216 34.966 32.600 0.250 0.000 1.675 174 M HN -0.075 nan 8.290 nan 0.000 0.505 175 A N 1.621 124.194 122.820 -0.411 0.000 2.488 175 A HA 0.755 5.075 4.320 0.001 0.000 0.249 175 A C -0.018 177.355 177.584 -0.351 0.000 1.083 175 A CA 0.417 52.001 52.037 -0.755 0.000 0.768 175 A CB -0.443 18.311 19.000 -0.410 0.000 1.017 175 A HN 1.774 nan 8.150 nan 0.000 0.496 176 A N 2.718 125.368 122.820 -0.284 0.000 2.555 176 A HA 0.571 4.891 4.320 0.001 0.000 0.297 176 A C -0.173 177.355 177.584 -0.094 0.000 1.060 176 A CA -0.382 51.508 52.037 -0.245 0.000 0.710 176 A CB 0.531 19.449 19.000 -0.138 0.000 1.282 176 A HN 1.468 nan 8.150 nan 0.000 0.399 177 W N 1.425 122.729 121.300 0.008 0.000 3.005 177 W HA 0.541 5.201 4.660 0.001 0.000 0.374 177 W C 0.002 176.545 176.519 0.040 0.000 1.076 177 W CA 0.253 57.609 57.345 0.019 0.000 1.794 177 W CB 0.103 29.580 29.460 0.029 0.000 1.113 177 W HN 0.812 nan 8.180 nan 0.000 0.584 178 S N 0.287 116.048 115.700 0.102 0.000 2.535 178 S HA 0.732 5.202 4.470 0.001 0.000 0.272 178 S C -0.625 173.977 174.600 0.004 0.000 1.149 178 S CA 0.048 58.323 58.200 0.125 0.000 0.888 178 S CB 1.463 64.764 63.200 0.167 0.000 1.110 178 S HN 0.322 nan 8.310 nan 0.000 0.463 179 G N 1.053 109.874 108.800 0.034 0.000 2.649 179 G HA2 0.771 4.732 3.960 0.001 0.000 0.290 179 G HA3 0.771 4.732 3.960 0.001 0.000 0.290 179 G C -1.275 173.551 174.900 -0.125 0.000 1.426 179 G CA -0.230 44.878 45.100 0.014 0.000 0.794 179 G HN 1.077 nan 8.290 nan 0.000 0.483 180 S N -1.930 113.715 115.700 -0.092 0.000 2.595 180 S HA 0.896 5.366 4.470 0.001 0.000 0.270 180 S C -1.120 173.431 174.600 -0.082 0.000 1.145 180 S CA 0.475 58.503 58.200 -0.287 0.000 0.825 180 S CB 1.340 64.379 63.200 -0.268 0.000 1.107 180 S HN 2.378 nan 8.310 nan 0.000 0.461 181 A N 0.624 123.388 122.820 -0.092 0.000 2.610 181 A HA 0.891 5.211 4.320 0.001 0.000 0.291 181 A C -0.965 176.637 177.584 0.030 0.000 1.086 181 A CA -0.183 51.765 52.037 -0.149 0.000 0.677 181 A CB 0.625 19.236 19.000 -0.648 0.000 1.278 181 A HN 2.209 nan 8.150 nan 0.000 0.414 182 c N -0.914 117.732 118.600 0.078 0.000 3.302 182 c HA 0.782 5.352 4.570 0.001 0.000 0.347 182 c C -0.742 173.239 174.090 -0.181 0.000 1.218 182 c CA -0.771 55.594 56.329 0.059 0.000 1.234 182 c CB 0.312 42.841 42.510 0.032 0.000 1.551 182 c HN 1.257 nan 8.230 nan 0.000 0.501 183 H N 0.780 119.518 119.070 -0.553 0.000 2.467 183 H HA 0.540 5.097 4.556 0.001 0.000 0.331 183 H C 0.529 175.681 175.328 -0.293 0.000 1.120 183 H CA 0.399 55.995 56.048 -0.753 0.000 1.270 183 H CB 1.381 30.426 29.762 -1.194 0.000 1.466 183 H HN 0.840 nan 8.280 nan 0.000 0.504 184 D N 2.135 122.392 120.400 -0.238 0.000 2.395 184 D HA 0.169 4.809 4.640 0.001 0.000 0.213 184 D C 1.464 177.902 176.300 0.230 0.000 1.110 184 D CA 0.505 54.534 54.000 0.050 0.000 0.835 184 D CB 0.507 41.384 40.800 0.129 0.000 0.965 184 D HN 0.833 nan 8.370 nan 0.000 0.505 185 G N 0.872 109.848 108.800 0.294 0.000 2.399 185 G HA2 -0.334 3.626 3.960 0.001 0.000 0.216 185 G HA3 -0.334 3.626 3.960 0.001 0.000 0.216 185 G C 1.213 176.208 174.900 0.159 0.000 1.096 185 G CA 0.237 45.481 45.100 0.240 0.000 0.650 185 G HN 0.380 nan 8.290 nan 0.000 0.512 186 K N 0.161 120.545 120.400 -0.028 0.000 2.287 186 K HA 0.426 4.746 4.320 0.001 0.000 0.199 186 K C 0.653 177.096 176.600 -0.262 0.000 1.061 186 K CA 1.051 57.257 56.287 -0.135 0.000 0.976 186 K CB 0.702 33.040 32.500 -0.270 0.000 0.898 186 K HN 0.362 nan 8.250 nan 0.000 0.492 187 E N -0.912 118.910 120.200 -0.629 0.000 2.401 187 E HA 0.164 4.514 4.350 0.001 0.000 0.280 187 E C -1.977 174.042 176.600 -0.969 0.000 1.039 187 E CA -0.672 55.278 56.400 -0.750 0.000 0.814 187 E CB 0.548 29.802 29.700 -0.744 0.000 1.275 187 E HN -0.008 nan 8.360 nan 0.000 0.448 188 W N 1.759 122.677 121.300 -0.638 0.000 2.311 188 W HA 0.411 5.071 4.660 0.001 0.000 0.310 188 W C -0.040 176.081 176.519 -0.663 0.000 1.274 188 W CA -0.055 56.938 57.345 -0.585 0.000 1.215 188 W CB 1.518 30.634 29.460 -0.573 0.000 1.227 188 W HN 0.203 nan 8.180 nan 0.000 0.523 189 T N 3.975 118.387 114.554 -0.237 0.000 2.795 189 T HA 0.371 4.722 4.350 0.001 0.000 0.282 189 T C -1.171 173.347 174.700 -0.304 0.000 0.980 189 T CA -0.392 61.644 62.100 -0.106 0.000 1.012 189 T CB 0.372 69.273 68.868 0.055 0.000 0.936 189 T HN 0.063 nan 8.240 nan 0.000 0.457 190 Y N 2.139 122.470 120.300 0.051 0.000 2.350 190 Y HA 0.634 5.184 4.550 0.001 0.000 0.338 190 Y C -0.214 175.661 175.900 -0.043 0.000 0.961 190 Y CA -1.218 56.846 58.100 -0.060 0.000 1.100 190 Y CB 0.900 39.277 38.460 -0.139 0.000 1.179 190 Y HN 0.450 nan 8.280 nan 0.000 0.454 191 I N 2.406 123.017 120.570 0.068 0.000 2.474 191 I HA 0.788 4.959 4.170 0.001 0.000 0.294 191 I C 0.130 176.247 176.117 0.001 0.000 1.005 191 I CA -0.325 60.985 61.300 0.017 0.000 1.113 191 I CB 2.207 40.184 38.000 -0.039 0.000 1.289 191 I HN 0.770 nan 8.210 nan 0.000 0.436 192 G N 4.874 113.657 108.800 -0.028 0.000 2.684 192 G HA2 0.567 4.527 3.960 0.001 0.000 0.289 192 G HA3 0.567 4.527 3.960 0.001 0.000 0.289 192 G C -1.680 173.106 174.900 -0.190 0.000 1.416 192 G CA -0.407 44.642 45.100 -0.085 0.000 1.235 192 G HN 0.316 nan 8.290 nan 0.000 0.576 193 V N 3.512 123.230 119.914 -0.327 0.000 2.394 193 V HA 0.635 4.756 4.120 0.001 0.000 0.282 193 V C -0.332 175.111 176.094 -1.086 0.000 1.031 193 V CA -0.407 61.563 62.300 -0.550 0.000 0.881 193 V CB 1.292 32.797 31.823 -0.530 0.000 0.982 193 V HN 0.967 nan 8.190 nan 0.000 0.451 194 D N 2.817 122.677 120.400 -0.901 0.000 2.798 194 D HA 0.808 5.449 4.640 0.001 0.000 0.308 194 D C -0.029 176.118 176.300 -0.254 0.000 1.187 194 D CA -0.009 53.380 54.000 -1.018 0.000 1.033 194 D CB 1.741 42.225 40.800 -0.527 0.000 1.445 194 D HN 1.107 nan 8.370 nan 0.000 0.550 195 G N -0.914 107.992 108.800 0.176 0.000 2.423 195 G HA2 0.176 4.137 3.960 0.001 0.000 0.684 195 G HA3 0.176 4.137 3.960 0.001 0.000 0.684 195 G C -2.983 172.141 174.900 0.373 0.000 1.309 195 G CA -0.535 44.703 45.100 0.231 0.000 0.950 195 G HN 0.646 nan 8.290 nan 0.000 0.587 196 P HA 0.231 nan 4.420 nan 0.000 0.269 196 P C 0.810 178.209 177.300 0.165 0.000 1.215 196 P CA 0.070 63.266 63.100 0.161 0.000 0.780 196 P CB 0.783 32.542 31.700 0.098 0.000 0.898 197 E N 1.203 121.440 120.200 0.061 0.000 2.130 197 E HA -0.230 4.121 4.350 0.001 0.000 0.196 197 E C 1.299 177.925 176.600 0.044 0.000 0.998 197 E CA 1.857 58.262 56.400 0.007 0.000 0.806 197 E CB -0.317 29.346 29.700 -0.063 0.000 0.738 197 E HN 0.671 nan 8.360 nan 0.000 0.459 198 N N -0.668 118.058 118.700 0.043 0.000 2.322 198 N HA -0.032 4.708 4.740 0.001 0.000 0.194 198 N C 0.478 176.018 175.510 0.050 0.000 1.126 198 N CA 0.060 53.130 53.050 0.033 0.000 0.845 198 N CB 0.458 38.958 38.487 0.021 0.000 0.976 198 N HN -0.113 nan 8.380 nan 0.000 0.475 199 N N 0.274 119.023 118.700 0.083 0.000 2.600 199 N HA 0.167 4.908 4.740 0.001 0.000 0.246 199 N C -1.003 174.587 175.510 0.132 0.000 1.454 199 N CA -0.164 52.943 53.050 0.096 0.000 1.120 199 N CB 0.457 38.993 38.487 0.080 0.000 1.478 199 N HN 0.358 nan 8.380 nan 0.000 0.541 200 A N 0.399 123.323 122.820 0.175 0.000 2.364 200 A HA 0.543 4.864 4.320 0.001 0.000 0.258 200 A C -0.180 177.455 177.584 0.086 0.000 1.131 200 A CA 0.131 52.292 52.037 0.207 0.000 0.800 200 A CB 0.297 19.536 19.000 0.398 0.000 1.086 200 A HN 0.482 nan 8.150 nan 0.000 0.508 201 L N -0.414 120.797 121.223 -0.019 0.000 2.562 201 L HA 0.538 4.878 4.340 0.001 0.000 0.266 201 L C -1.107 175.681 176.870 -0.137 0.000 0.949 201 L CA -0.256 54.535 54.840 -0.082 0.000 0.879 201 L CB 1.655 43.657 42.059 -0.095 0.000 1.278 201 L HN 0.729 nan 8.230 nan 0.000 0.404 202 L N 5.049 126.224 121.223 -0.080 0.000 2.305 202 L HA 0.538 4.879 4.340 0.001 0.000 0.281 202 L C -0.737 176.100 176.870 -0.055 0.000 1.085 202 L CA 0.063 54.860 54.840 -0.072 0.000 0.813 202 L CB 0.394 42.456 42.059 0.005 0.000 1.157 202 L HN 0.649 nan 8.230 nan 0.000 0.436 203 K N 6.208 126.578 120.400 -0.050 0.000 2.259 203 K HA 0.613 4.934 4.320 0.001 0.000 0.249 203 K C -1.313 175.318 176.600 0.052 0.000 0.942 203 K CA -0.674 55.619 56.287 0.010 0.000 0.816 203 K CB 2.469 34.984 32.500 0.026 0.000 1.155 203 K HN 0.492 nan 8.250 nan 0.000 0.428 204 I N 1.820 122.444 120.570 0.089 0.000 2.465 204 I HA 0.334 4.504 4.170 0.001 0.000 0.291 204 I C -0.649 175.545 176.117 0.130 0.000 1.014 204 I CA -0.730 60.626 61.300 0.092 0.000 1.093 204 I CB 1.966 39.995 38.000 0.050 0.000 1.267 204 I HN 0.410 nan 8.210 nan 0.000 0.431 205 K N 5.367 125.845 120.400 0.130 0.000 2.426 205 K HA 0.385 4.706 4.320 0.001 0.000 0.254 205 K C -1.900 174.837 176.600 0.230 0.000 0.936 205 K CA -0.644 55.680 56.287 0.061 0.000 0.801 205 K CB 1.604 34.045 32.500 -0.100 0.000 1.139 205 K HN 0.506 nan 8.250 nan 0.000 0.424 206 Y N 4.602 124.923 120.300 0.036 0.000 2.402 206 Y HA 0.321 4.871 4.550 0.001 0.000 0.332 206 Y C 0.682 176.640 175.900 0.097 0.000 0.960 206 Y CA 0.739 58.866 58.100 0.046 0.000 1.228 206 Y CB 0.905 39.375 38.460 0.017 0.000 1.120 206 Y HN 1.018 nan 8.280 nan 0.000 0.491 207 G N 4.792 113.557 108.800 -0.058 0.000 2.620 207 G HA2 -0.363 3.597 3.960 0.001 0.000 0.315 207 G HA3 -0.363 3.597 3.960 0.001 0.000 0.315 207 G C 0.986 175.982 174.900 0.160 0.000 1.179 207 G CA 0.874 46.026 45.100 0.087 0.000 0.971 207 G HN 0.505 nan 8.290 nan 0.000 0.544 208 E N 1.494 121.726 120.200 0.054 0.000 2.364 208 E HA 0.451 4.801 4.350 0.001 0.000 0.196 208 E C 1.514 178.080 176.600 -0.057 0.000 0.990 208 E CA 0.776 57.180 56.400 0.006 0.000 0.886 208 E CB 0.248 29.967 29.700 0.033 0.000 0.866 208 E HN 0.886 nan 8.360 nan 0.000 0.493 209 A N 0.886 123.701 122.820 -0.008 0.000 2.331 209 A HA 0.379 4.700 4.320 0.001 0.000 0.283 209 A C -0.875 176.664 177.584 -0.075 0.000 1.142 209 A CA -0.305 51.748 52.037 0.025 0.000 0.812 209 A CB -0.048 19.020 19.000 0.114 0.000 1.074 209 A HN 0.001 nan 8.150 nan 0.000 0.497 210 Y N 1.531 121.899 120.300 0.114 0.000 2.365 210 Y HA 0.295 4.846 4.550 0.001 0.000 0.340 210 Y C 1.678 177.629 175.900 0.085 0.000 1.016 210 Y CA 0.668 58.827 58.100 0.098 0.000 1.196 210 Y CB 1.266 39.767 38.460 0.068 0.000 1.167 210 Y HN 0.801 nan 8.280 nan 0.000 0.509 211 T N -2.426 112.234 114.554 0.177 0.000 2.964 211 T HA 0.229 4.579 4.350 0.001 0.000 0.249 211 T C -0.013 174.734 174.700 0.078 0.000 1.000 211 T CA 0.152 62.318 62.100 0.111 0.000 0.992 211 T CB 0.573 69.486 68.868 0.076 0.000 1.087 211 T HN 0.475 nan 8.240 nan 0.000 0.489 212 D N 0.378 120.827 120.400 0.081 0.000 2.694 212 D HA 0.474 5.114 4.640 0.001 0.000 0.260 212 D C -1.463 174.865 176.300 0.046 0.000 1.250 212 D CA -0.040 53.992 54.000 0.053 0.000 0.763 212 D CB 2.154 42.972 40.800 0.030 0.000 1.311 212 D HN 0.362 nan 8.370 nan 0.000 0.420 213 T N -1.686 112.882 114.554 0.023 0.000 2.843 213 T HA 0.663 5.014 4.350 0.001 0.000 0.302 213 T C -1.655 173.048 174.700 0.006 0.000 1.232 213 T CA -0.649 61.436 62.100 -0.025 0.000 1.009 213 T CB 1.555 70.338 68.868 -0.142 0.000 1.254 213 T HN 0.327 nan 8.240 nan 0.000 0.504 214 Y N 0.993 121.196 120.300 -0.162 0.000 2.442 214 Y HA 0.532 5.082 4.550 0.001 0.000 0.344 214 Y C -0.255 175.562 175.900 -0.139 0.000 0.976 214 Y CA -0.798 57.251 58.100 -0.085 0.000 1.040 214 Y CB 1.660 40.111 38.460 -0.014 0.000 1.228 214 Y HN 0.822 nan 8.280 nan 0.000 0.451 215 H N 2.290 121.190 119.070 -0.283 0.000 2.483 215 H HA 0.189 4.745 4.556 0.001 0.000 0.338 215 H C -0.183 175.166 175.328 0.035 0.000 1.152 215 H CA -0.447 55.542 56.048 -0.099 0.000 1.264 215 H CB 2.032 31.713 29.762 -0.135 0.000 1.510 215 H HN 0.604 nan 8.280 nan 0.000 0.530 216 S N 1.515 117.335 115.700 0.200 0.000 2.563 216 S HA -0.084 4.386 4.470 0.001 0.000 0.294 216 S C 0.676 175.368 174.600 0.153 0.000 1.279 216 S CA 0.070 58.349 58.200 0.131 0.000 1.069 216 S CB -0.184 63.061 63.200 0.075 0.000 0.828 216 S HN 0.640 nan 8.310 nan 0.000 0.497 217 Y N 2.579 122.951 120.300 0.120 0.000 2.467 217 Y HA 0.641 5.192 4.550 0.001 0.000 0.259 217 Y C 1.315 177.261 175.900 0.076 0.000 1.084 217 Y CA 0.088 58.247 58.100 0.098 0.000 1.275 217 Y CB -0.243 38.310 38.460 0.155 0.000 1.208 217 Y HN 0.593 nan 8.280 nan 0.000 0.511 218 A N 0.495 123.120 122.820 -0.325 0.000 2.503 218 A HA 0.240 4.561 4.320 0.001 0.000 0.263 218 A C 0.348 177.875 177.584 -0.095 0.000 1.258 218 A CA -0.102 51.848 52.037 -0.145 0.000 0.936 218 A CB -1.022 17.858 19.000 -0.201 0.000 1.070 218 A HN 0.527 nan 8.150 nan 0.000 0.522 219 N N 0.566 119.219 118.700 -0.078 0.000 2.708 219 N HA -0.197 4.544 4.740 0.001 0.000 0.251 219 N C -0.434 175.059 175.510 -0.029 0.000 1.017 219 N CA 1.038 54.071 53.050 -0.028 0.000 0.742 219 N CB -0.894 37.592 38.487 -0.001 0.000 0.943 219 N HN 0.461 nan 8.380 nan 0.000 0.539 220 N N 0.752 119.419 118.700 -0.055 0.000 2.751 220 N HA 0.265 5.005 4.740 0.001 0.000 0.238 220 N C -0.939 174.553 175.510 -0.031 0.000 1.351 220 N CA -0.454 52.574 53.050 -0.037 0.000 0.751 220 N CB 0.172 38.637 38.487 -0.036 0.000 1.342 220 N HN 0.277 nan 8.380 nan 0.000 0.540 221 I N 0.953 121.531 120.570 0.014 0.000 7.356 221 I HA -0.321 3.849 4.170 0.001 0.000 0.126 221 I C -0.130 176.062 176.117 0.125 0.000 1.829 221 I CA -0.015 61.330 61.300 0.075 0.000 2.068 221 I CB -0.627 37.364 38.000 -0.014 0.000 3.620 221 I HN 0.372 nan 8.210 nan 0.000 0.179 222 L N 5.360 126.674 121.223 0.152 0.000 2.628 222 L HA 0.193 4.533 4.340 0.001 0.000 0.274 222 L C 0.728 177.718 176.870 0.199 0.000 1.209 222 L CA 1.195 56.100 54.840 0.108 0.000 0.930 222 L CB 0.174 42.294 42.059 0.102 0.000 1.183 222 L HN 0.327 nan 8.230 nan 0.000 0.492 223 R N 2.527 123.103 120.500 0.127 0.000 2.854 223 R HA 0.694 5.035 4.340 0.001 0.000 0.271 223 R C -0.365 175.960 176.300 0.042 0.000 0.994 223 R CA -0.452 55.732 56.100 0.139 0.000 0.945 223 R CB 2.045 32.422 30.300 0.129 0.000 1.194 223 R HN 0.725 nan 8.270 nan 0.000 0.476 224 T N -1.095 113.470 114.554 0.018 0.000 2.718 224 T HA 0.158 4.509 4.350 0.001 0.000 0.267 224 T C 0.594 175.254 174.700 -0.066 0.000 0.957 224 T CA -0.385 61.682 62.100 -0.055 0.000 1.025 224 T CB 1.347 70.162 68.868 -0.089 0.000 1.355 224 T HN 0.565 nan 8.240 nan 0.000 0.572 225 Q N -0.286 119.436 119.800 -0.130 0.000 2.226 225 Q HA -0.046 4.294 4.340 0.001 0.000 0.204 225 Q C 0.211 176.124 176.000 -0.145 0.000 0.975 225 Q CA 1.286 57.003 55.803 -0.142 0.000 0.866 225 Q CB -0.042 28.589 28.738 -0.178 0.000 0.915 225 Q HN 0.680 nan 8.270 nan 0.000 0.440 226 E N -0.971 119.119 120.200 -0.185 0.000 3.370 226 E HA -0.197 4.154 4.350 0.001 0.000 0.291 226 E C -0.917 175.355 176.600 -0.547 0.000 0.916 226 E CA 1.045 57.332 56.400 -0.188 0.000 0.981 226 E CB -1.248 28.518 29.700 0.111 0.000 1.498 226 E HN 0.489 nan 8.360 nan 0.000 0.452 227 S N -2.783 112.445 115.700 -0.787 0.000 2.752 227 S HA 0.815 5.286 4.470 0.001 0.000 0.284 227 S C -0.134 174.016 174.600 -0.750 0.000 1.189 227 S CA -0.850 56.762 58.200 -0.980 0.000 0.835 227 S CB 1.287 64.357 63.200 -0.217 0.000 1.192 227 S HN 0.603 nan 8.310 nan 0.000 0.506 228 A N 0.627 123.296 122.820 -0.252 0.000 2.546 228 A HA 0.456 4.777 4.320 0.001 0.000 0.243 228 A C 0.977 178.547 177.584 -0.025 0.000 1.063 228 A CA -0.129 51.916 52.037 0.014 0.000 0.757 228 A CB -1.547 17.594 19.000 0.235 0.000 0.991 228 A HN 1.465 nan 8.150 nan 0.000 0.503 229 c N 1.985 120.571 118.600 -0.024 0.000 2.641 229 c HA 0.554 5.124 4.570 0.001 0.000 0.318 229 c C 0.307 174.421 174.090 0.039 0.000 1.490 229 c CA -1.289 55.038 56.329 -0.004 0.000 2.260 229 c CB -0.084 42.415 42.510 -0.019 0.000 2.103 229 c HN 0.797 nan 8.230 nan 0.000 0.641 230 N N -0.345 118.378 118.700 0.039 0.000 2.480 230 N HA 0.408 5.149 4.740 0.001 0.000 0.289 230 N C -1.613 174.043 175.510 0.243 0.000 1.073 230 N CA -0.148 52.947 53.050 0.073 0.000 0.885 230 N CB 1.757 40.043 38.487 -0.334 0.000 1.421 230 N HN 0.757 nan 8.380 nan 0.000 0.503 231 c N 2.397 121.189 118.600 0.320 0.000 2.382 231 c HA 0.681 5.251 4.570 0.001 0.000 0.327 231 c C 0.493 174.678 174.090 0.158 0.000 1.250 231 c CA -0.856 55.585 56.329 0.187 0.000 1.707 231 c CB 0.105 42.621 42.510 0.010 0.000 2.272 231 c HN 0.707 nan 8.230 nan 0.000 0.506 232 I N 1.753 122.346 120.570 0.040 0.000 2.534 232 I HA 0.585 4.755 4.170 0.001 0.000 0.288 232 I C 0.786 176.642 176.117 -0.435 0.000 1.077 232 I CA 0.521 61.666 61.300 -0.259 0.000 1.051 232 I CB 1.337 39.273 38.000 -0.106 0.000 1.234 232 I HN 0.984 nan 8.210 nan 0.000 0.425 233 G N 4.826 113.074 108.800 -0.920 0.000 2.379 233 G HA2 -0.131 3.829 3.960 0.001 0.000 0.297 233 G HA3 -0.131 3.829 3.960 0.001 0.000 0.297 233 G C 1.043 175.293 174.900 -1.083 0.000 1.004 233 G CA 0.584 45.213 45.100 -0.786 0.000 0.921 233 G HN 2.069 nan 8.290 nan 0.000 0.511 234 G N -1.482 106.633 108.800 -1.142 0.000 2.179 234 G HA2 -0.302 3.659 3.960 0.001 0.000 0.260 234 G HA3 -0.302 3.659 3.960 0.001 0.000 0.260 234 G C 0.127 174.504 174.900 -0.872 0.000 0.977 234 G CA 0.389 44.510 45.100 -1.633 0.000 0.641 234 G HN 1.054 nan 8.290 nan 0.000 0.533 235 N N 0.546 118.914 118.700 -0.553 0.000 2.485 235 N HA 0.417 5.158 4.740 0.001 0.000 0.243 235 N C 0.006 175.329 175.510 -0.312 0.000 0.987 235 N CA 0.029 52.821 53.050 -0.431 0.000 0.940 235 N CB 1.121 39.390 38.487 -0.365 0.000 1.122 235 N HN 0.236 nan 8.380 nan 0.000 0.509 236 c N 2.611 121.024 118.600 -0.313 0.000 2.435 236 c HA 0.378 4.949 4.570 0.001 0.000 0.375 236 c C 0.144 174.065 174.090 -0.282 0.000 1.281 236 c CA -0.662 55.567 56.329 -0.167 0.000 1.963 236 c CB -1.320 41.125 42.510 -0.109 0.000 2.490 236 c HN 0.532 nan 8.230 nan 0.000 0.557 237 Y N 2.502 122.767 120.300 -0.058 0.000 2.331 237 Y HA 0.626 5.177 4.550 0.001 0.000 0.338 237 Y C -0.025 175.899 175.900 0.039 0.000 0.992 237 Y CA -0.622 57.460 58.100 -0.029 0.000 1.121 237 Y CB 1.115 39.521 38.460 -0.090 0.000 1.184 237 Y HN 0.554 nan 8.280 nan 0.000 0.469 238 L N 5.301 126.641 121.223 0.196 0.000 2.406 238 L HA 0.496 4.836 4.340 0.001 0.000 0.272 238 L C -0.859 175.955 176.870 -0.094 0.000 0.980 238 L CA -0.782 54.092 54.840 0.057 0.000 0.831 238 L CB 1.463 43.482 42.059 -0.066 0.000 1.253 238 L HN 0.691 nan 8.230 nan 0.000 0.406 239 M N 6.551 125.952 119.600 -0.333 0.000 2.228 239 M HA 0.398 4.879 4.480 0.001 0.000 0.351 239 M C -0.918 175.129 176.300 -0.421 0.000 1.233 239 M CA -0.055 54.730 55.300 -0.858 0.000 1.129 239 M CB 0.401 32.521 32.600 -0.799 0.000 1.604 239 M HN 0.721 nan 8.290 nan 0.000 0.457 240 I N 1.279 121.618 120.570 -0.385 0.000 2.730 240 I HA 0.671 4.841 4.170 0.001 0.000 0.298 240 I C -0.867 175.212 176.117 -0.064 0.000 1.089 240 I CA -0.581 60.622 61.300 -0.162 0.000 1.041 240 I CB 2.482 40.422 38.000 -0.099 0.000 1.235 240 I HN 0.549 nan 8.210 nan 0.000 0.423 241 T N 2.013 116.575 114.554 0.013 0.000 2.901 241 T HA 0.507 4.857 4.350 0.001 0.000 0.293 241 T C -1.841 172.860 174.700 0.003 0.000 1.084 241 T CA -0.232 61.902 62.100 0.057 0.000 1.008 241 T CB 1.746 70.597 68.868 -0.028 0.000 1.170 241 T HN 0.833 nan 8.240 nan 0.000 0.509 242 D N -0.147 120.189 120.400 -0.105 0.000 2.977 242 D HA 0.643 5.283 4.640 0.001 0.000 0.220 242 D C -0.380 175.788 176.300 -0.220 0.000 1.267 242 D CA 0.487 54.300 54.000 -0.311 0.000 0.884 242 D CB 1.802 42.004 40.800 -0.998 0.000 1.667 242 D HN 1.040 nan 8.370 nan 0.000 0.536 243 G N 0.681 109.391 108.800 -0.151 0.000 2.368 243 G HA2 0.307 4.267 3.960 0.001 0.000 0.302 243 G HA3 0.307 4.267 3.960 0.001 0.000 0.302 243 G C -1.058 173.809 174.900 -0.056 0.000 1.329 243 G CA -0.284 44.758 45.100 -0.097 0.000 0.935 243 G HN 0.418 nan 8.290 nan 0.000 0.590 244 S N -0.680 115.011 115.700 -0.015 0.000 2.585 244 S HA 0.530 5.001 4.470 0.001 0.000 0.273 244 S C 1.749 176.391 174.600 0.070 0.000 1.339 244 S CA 0.919 59.130 58.200 0.018 0.000 1.028 244 S CB 1.047 64.263 63.200 0.027 0.000 0.906 244 S HN 2.020 nan 8.310 nan 0.000 0.528 245 A N 3.112 125.969 122.820 0.062 0.000 2.119 245 A HA 0.115 4.435 4.320 0.001 0.000 0.217 245 A C 1.541 179.157 177.584 0.053 0.000 1.153 245 A CA 1.199 53.297 52.037 0.100 0.000 0.692 245 A CB -0.233 18.792 19.000 0.042 0.000 0.799 245 A HN 0.755 nan 8.150 nan 0.000 0.458 246 S N -1.561 114.139 115.700 -0.000 0.000 2.846 246 S HA 0.504 4.975 4.470 0.001 0.000 0.249 246 S C 0.594 175.121 174.600 -0.123 0.000 1.028 246 S CA 0.033 58.172 58.200 -0.102 0.000 1.043 246 S CB 0.668 63.824 63.200 -0.073 0.000 0.990 246 S HN 0.798 nan 8.310 nan 0.000 0.564 247 G N 1.115 109.909 108.800 -0.010 0.000 2.896 247 G HA2 0.526 4.486 3.960 0.001 0.000 0.247 247 G HA3 0.526 4.486 3.960 0.001 0.000 0.247 247 G C -1.299 173.762 174.900 0.269 0.000 1.187 247 G CA -0.714 44.440 45.100 0.090 0.000 0.837 247 G HN 0.133 nan 8.290 nan 0.000 0.559 248 I N 1.853 122.564 120.570 0.234 0.000 2.517 248 I HA 0.312 4.483 4.170 0.001 0.000 0.285 248 I C 0.045 176.182 176.117 0.034 0.000 1.106 248 I CA 0.296 61.719 61.300 0.204 0.000 1.402 248 I CB 0.624 38.706 38.000 0.137 0.000 1.399 248 I HN 0.115 nan 8.210 nan 0.000 0.535 249 S N 5.461 121.074 115.700 -0.145 0.000 2.060 249 S HA 0.134 4.605 4.470 0.001 0.000 0.156 249 S C 0.214 174.735 174.600 -0.133 0.000 1.690 249 S CA -0.616 57.412 58.200 -0.286 0.000 1.238 249 S CB -0.032 62.720 63.200 -0.747 0.000 1.150 249 S HN 0.573 nan 8.310 nan 0.000 0.437 250 E N 2.326 122.546 120.200 0.033 0.000 2.491 250 E HA 0.041 4.391 4.350 0.001 0.000 0.250 250 E C 0.681 177.387 176.600 0.177 0.000 1.061 250 E CA -0.231 56.237 56.400 0.113 0.000 0.942 250 E CB 0.110 29.902 29.700 0.154 0.000 0.957 250 E HN 0.734 nan 8.360 nan 0.000 0.480 251 C N 3.646 123.006 119.300 0.100 0.000 2.563 251 C HA 0.642 5.103 4.460 0.001 0.000 0.358 251 C C 0.265 175.282 174.990 0.046 0.000 1.336 251 C CA -0.732 58.325 59.018 0.066 0.000 2.454 251 C CB 0.484 28.193 27.740 -0.053 0.000 2.448 251 C HN 0.859 nan 8.230 nan 0.000 0.670 252 R N -0.346 120.106 120.500 -0.081 0.000 2.799 252 R HA 0.679 5.020 4.340 0.001 0.000 0.270 252 R C -1.774 174.339 176.300 -0.312 0.000 1.010 252 R CA -0.483 55.540 56.100 -0.129 0.000 0.916 252 R CB 1.694 31.854 30.300 -0.233 0.000 1.228 252 R HN 0.763 nan 8.270 nan 0.000 0.469 253 F N 1.538 121.375 119.950 -0.188 0.000 2.508 253 F HA 0.493 5.021 4.527 0.001 0.000 0.325 253 F C -0.242 175.401 175.800 -0.261 0.000 1.090 253 F CA -0.686 57.215 58.000 -0.165 0.000 0.945 253 F CB 1.464 40.421 39.000 -0.072 0.000 1.156 253 F HN 0.033 nan 8.300 nan 0.000 0.463 254 L N 2.972 124.139 121.223 -0.093 0.000 2.322 254 L HA 0.495 4.835 4.340 0.001 0.000 0.279 254 L C -0.327 176.448 176.870 -0.158 0.000 1.036 254 L CA -0.918 53.799 54.840 -0.205 0.000 0.807 254 L CB 1.736 43.618 42.059 -0.295 0.000 1.226 254 L HN 0.514 nan 8.230 nan 0.000 0.433 255 K N 3.815 124.062 120.400 -0.254 0.000 2.293 255 K HA 0.591 4.911 4.320 0.001 0.000 0.267 255 K C -1.216 175.166 176.600 -0.364 0.000 1.010 255 K CA -0.423 55.584 56.287 -0.466 0.000 0.875 255 K CB 0.963 33.172 32.500 -0.484 0.000 1.106 255 K HN 0.508 nan 8.250 nan 0.000 0.450 256 I N 4.142 124.485 120.570 -0.379 0.000 2.406 256 I HA 0.403 4.574 4.170 0.001 0.000 0.290 256 I C -0.324 175.603 176.117 -0.318 0.000 0.999 256 I CA -0.873 60.259 61.300 -0.280 0.000 1.124 256 I CB 1.901 39.777 38.000 -0.207 0.000 1.289 256 I HN 0.488 nan 8.210 nan 0.000 0.441 257 R N 5.046 125.365 120.500 -0.301 0.000 2.476 257 R HA 0.316 4.656 4.340 0.001 0.000 0.305 257 R C -0.391 175.679 176.300 -0.384 0.000 0.965 257 R CA -0.412 55.482 56.100 -0.344 0.000 0.867 257 R CB 1.052 31.172 30.300 -0.301 0.000 1.176 257 R HN 0.667 nan 8.270 nan 0.000 0.447 258 E N 2.531 122.404 120.200 -0.546 0.000 2.294 258 E HA -0.272 4.078 4.350 0.001 0.000 0.228 258 E C 0.507 176.489 176.600 -1.030 0.000 1.253 258 E CA 1.099 56.848 56.400 -1.086 0.000 0.716 258 E CB -0.999 28.396 29.700 -0.507 0.000 1.184 258 E HN 1.130 nan 8.360 nan 0.000 0.374 259 G N -0.497 107.891 108.800 -0.687 0.000 2.159 259 G HA2 -0.359 3.601 3.960 0.001 0.000 0.256 259 G HA3 -0.359 3.601 3.960 0.001 0.000 0.256 259 G C 0.148 174.952 174.900 -0.159 0.000 0.977 259 G CA 0.421 45.349 45.100 -0.286 0.000 0.652 259 G HN 0.284 nan 8.290 nan 0.000 0.531 260 R N -0.549 119.835 120.500 -0.192 0.000 2.637 260 R HA 0.642 4.982 4.340 0.001 0.000 0.291 260 R C 0.075 176.304 176.300 -0.118 0.000 0.963 260 R CA -1.007 55.026 56.100 -0.112 0.000 0.901 260 R CB 1.507 31.753 30.300 -0.091 0.000 1.160 260 R HN 0.209 nan 8.270 nan 0.000 0.457 261 I N 4.379 124.908 120.570 -0.069 0.000 2.396 261 I HA 0.069 4.239 4.170 0.001 0.000 0.289 261 I C 1.527 177.602 176.117 -0.070 0.000 1.056 261 I CA 0.277 61.533 61.300 -0.074 0.000 1.365 261 I CB 0.722 38.721 38.000 -0.002 0.000 1.407 261 I HN 0.690 nan 8.210 nan 0.000 0.509 262 I N 2.384 122.886 120.570 -0.114 0.000 4.288 262 I HA 0.411 4.582 4.170 0.001 0.000 0.331 262 I C 0.361 176.426 176.117 -0.086 0.000 1.322 262 I CA -0.059 61.183 61.300 -0.096 0.000 1.149 262 I CB 0.313 38.240 38.000 -0.121 0.000 1.112 262 I HN 0.431 nan 8.210 nan 0.000 0.403 263 K N 1.697 122.030 120.400 -0.112 0.000 2.557 263 K HA 0.401 4.721 4.320 0.001 0.000 0.261 263 K C -1.419 175.083 176.600 -0.163 0.000 0.932 263 K CA -0.457 55.767 56.287 -0.106 0.000 0.829 263 K CB 2.479 34.921 32.500 -0.097 0.000 1.358 263 K HN 0.085 nan 8.250 nan 0.000 0.430 264 E N 3.364 123.439 120.200 -0.209 0.000 2.156 264 E HA 0.349 4.700 4.350 0.001 0.000 0.279 264 E C -0.727 175.477 176.600 -0.659 0.000 0.965 264 E CA -0.484 55.645 56.400 -0.453 0.000 0.789 264 E CB 1.478 30.889 29.700 -0.483 0.000 1.098 264 E HN 0.331 nan 8.360 nan 0.000 0.397 265 I N 3.909 124.137 120.570 -0.569 0.000 2.355 265 I HA 0.259 4.429 4.170 0.001 0.000 0.288 265 I C -0.888 174.981 176.117 -0.413 0.000 0.999 265 I CA -0.751 60.326 61.300 -0.372 0.000 1.163 265 I CB 0.636 38.587 38.000 -0.081 0.000 1.316 265 I HN 0.379 nan 8.210 nan 0.000 0.454 266 F N 6.920 126.899 119.950 0.049 0.000 2.350 266 F HA 0.460 4.987 4.527 0.001 0.000 0.365 266 F C -1.995 173.843 175.800 0.064 0.000 1.122 266 F CA -2.491 55.532 58.000 0.039 0.000 1.139 266 F CB 0.069 39.075 39.000 0.009 0.000 1.220 266 F HN 0.230 nan 8.300 nan 0.000 0.499 267 P HA 0.297 nan 4.420 nan 0.000 0.272 267 P C -0.131 177.257 177.300 0.146 0.000 1.240 267 P CA -0.377 62.833 63.100 0.184 0.000 0.791 267 P CB 0.821 32.653 31.700 0.220 0.000 0.978 268 T N -3.131 111.486 114.554 0.105 0.000 2.907 268 T HA 0.726 5.077 4.350 0.001 0.000 0.290 268 T C 0.348 175.060 174.700 0.021 0.000 1.066 268 T CA -0.006 62.131 62.100 0.061 0.000 1.012 268 T CB 1.422 70.321 68.868 0.052 0.000 1.184 268 T HN 0.775 nan 8.240 nan 0.000 0.522 269 G N 1.059 109.845 108.800 -0.022 0.000 2.503 269 G HA2 -0.147 3.814 3.960 0.001 0.000 0.235 269 G HA3 -0.147 3.814 3.960 0.001 0.000 0.235 269 G C -0.343 174.517 174.900 -0.067 0.000 1.179 269 G CA -0.263 44.786 45.100 -0.085 0.000 0.944 269 G HN 0.892 nan 8.290 nan 0.000 0.580 270 R N 1.423 121.865 120.500 -0.096 0.000 2.441 270 R HA 0.340 4.681 4.340 0.001 0.000 0.300 270 R C 1.260 177.566 176.300 0.008 0.000 1.284 270 R CA 0.803 56.868 56.100 -0.059 0.000 1.069 270 R CB -0.259 29.989 30.300 -0.087 0.000 1.087 270 R HN 1.304 nan 8.270 nan 0.000 0.519 271 V N 1.502 121.432 119.914 0.025 0.000 3.276 271 V HA 0.191 4.311 4.120 0.001 0.000 0.319 271 V C 1.789 177.931 176.094 0.080 0.000 1.427 271 V CA -0.282 62.057 62.300 0.066 0.000 1.102 271 V CB 0.237 32.101 31.823 0.069 0.000 1.020 271 V HN 0.469 nan 8.190 nan 0.000 0.456 272 K N 1.211 121.652 120.400 0.069 0.000 2.009 272 K HA -0.155 4.166 4.320 0.001 0.000 0.210 272 K C 0.620 177.370 176.600 0.250 0.000 1.049 272 K CA 2.062 58.404 56.287 0.092 0.000 0.929 272 K CB -0.079 32.402 32.500 -0.030 0.000 0.714 272 K HN 0.791 nan 8.250 nan 0.000 0.440 273 H N -1.209 117.956 119.070 0.158 0.000 3.128 273 H HA 0.235 4.791 4.556 0.001 0.000 0.336 273 H C -1.899 173.494 175.328 0.107 0.000 1.026 273 H CA -0.688 55.457 56.048 0.162 0.000 1.376 273 H CB 1.837 31.737 29.762 0.229 0.000 1.882 273 H HN 0.011 nan 8.280 nan 0.000 0.479 274 T N 4.798 119.447 114.554 0.159 0.000 3.172 274 T HA 0.293 4.644 4.350 0.001 0.000 0.320 274 T C -1.295 173.437 174.700 0.053 0.000 1.085 274 T CA -0.962 61.229 62.100 0.153 0.000 1.052 274 T CB 1.594 70.524 68.868 0.103 0.000 1.107 274 T HN 0.730 nan 8.240 nan 0.000 0.458 275 E N 1.212 121.467 120.200 0.092 0.000 2.413 275 E HA 0.535 4.885 4.350 0.001 0.000 0.277 275 E C -1.144 175.467 176.600 0.018 0.000 0.958 275 E CA -1.186 55.236 56.400 0.036 0.000 0.779 275 E CB 1.332 31.074 29.700 0.071 0.000 1.278 275 E HN 0.550 nan 8.360 nan 0.000 0.456 276 E N -0.179 120.013 120.200 -0.014 0.000 2.252 276 E HA -0.198 4.153 4.350 0.001 0.000 0.218 276 E C -0.751 175.831 176.600 -0.030 0.000 1.253 276 E CA 0.505 56.881 56.400 -0.040 0.000 0.705 276 E CB -2.102 27.549 29.700 -0.082 0.000 1.172 276 E HN 0.480 nan 8.360 nan 0.000 0.369 277 c N 1.225 119.809 118.600 -0.026 0.000 2.648 277 c HA 0.104 4.674 4.570 0.001 0.000 0.415 277 c C 1.316 175.435 174.090 0.049 0.000 1.366 277 c CA -0.074 56.267 56.329 0.020 0.000 1.756 277 c CB -0.178 42.354 42.510 0.037 0.000 2.549 277 c HN 0.293 nan 8.230 nan 0.000 0.597 278 T N 3.947 118.568 114.554 0.112 0.000 2.811 278 T HA 0.282 4.632 4.350 0.001 0.000 0.309 278 T C 0.065 174.902 174.700 0.227 0.000 1.005 278 T CA -0.208 61.998 62.100 0.176 0.000 0.955 278 T CB -0.095 68.927 68.868 0.256 0.000 0.970 278 T HN 0.788 nan 8.240 nan 0.000 0.496 279 c N 2.974 121.653 118.600 0.132 0.000 2.365 279 c HA 0.980 5.550 4.570 0.001 0.000 0.349 279 c C 1.139 175.231 174.090 0.003 0.000 1.191 279 c CA -0.604 55.780 56.329 0.091 0.000 2.114 279 c CB 0.792 43.334 42.510 0.053 0.000 2.367 279 c HN 1.054 nan 8.230 nan 0.000 0.530 280 G N 0.125 108.915 108.800 -0.016 0.000 2.695 280 G HA2 0.670 4.631 3.960 0.001 0.000 0.290 280 G HA3 0.670 4.631 3.960 0.001 0.000 0.290 280 G C -1.542 173.287 174.900 -0.117 0.000 1.410 280 G CA -0.477 44.623 45.100 -0.002 0.000 0.844 280 G HN 0.461 nan 8.290 nan 0.000 0.478 281 F N 1.399 121.330 119.950 -0.031 0.000 2.444 281 F HA 0.447 4.974 4.527 0.001 0.000 0.360 281 F C 1.513 176.967 175.800 -0.576 0.000 1.106 281 F CA 0.134 58.007 58.000 -0.213 0.000 1.170 281 F CB 1.824 40.761 39.000 -0.106 0.000 1.113 281 F HN 0.548 nan 8.300 nan 0.000 0.521 282 A N 2.514 124.958 122.820 -0.626 0.000 2.067 282 A HA 0.208 4.528 4.320 0.001 0.000 0.217 282 A C 0.922 178.397 177.584 -0.180 0.000 1.156 282 A CA 1.251 52.900 52.037 -0.646 0.000 0.683 282 A CB -0.277 18.496 19.000 -0.379 0.000 0.808 282 A HN 0.731 nan 8.150 nan 0.000 0.455 283 S N -3.283 112.389 115.700 -0.047 0.000 2.671 283 S HA 0.189 4.659 4.470 0.001 0.000 0.270 283 S C 0.078 174.689 174.600 0.020 0.000 1.166 283 S CA -0.151 58.044 58.200 -0.010 0.000 0.868 283 S CB -0.148 63.039 63.200 -0.022 0.000 1.190 283 S HN 0.019 nan 8.310 nan 0.000 0.494 284 N N 0.966 119.649 118.700 -0.029 0.000 2.364 284 N HA -0.001 4.739 4.740 0.001 0.000 0.183 284 N C 1.700 177.215 175.510 0.009 0.000 1.022 284 N CA 1.684 54.709 53.050 -0.042 0.000 0.883 284 N CB -0.525 37.936 38.487 -0.042 0.000 0.965 284 N HN 0.793 nan 8.380 nan 0.000 0.438 285 K N -0.131 120.273 120.400 0.006 0.000 2.284 285 K HA 0.139 4.460 4.320 0.001 0.000 0.198 285 K C 0.783 177.366 176.600 -0.030 0.000 1.048 285 K CA 0.645 56.927 56.287 -0.009 0.000 0.987 285 K CB -0.044 32.444 32.500 -0.019 0.000 0.800 285 K HN 0.111 nan 8.250 nan 0.000 0.486 286 T N 0.877 115.421 114.554 -0.017 0.000 2.840 286 T HA 0.558 4.908 4.350 0.001 0.000 0.287 286 T C -0.570 174.060 174.700 -0.117 0.000 0.991 286 T CA -0.403 61.646 62.100 -0.085 0.000 0.964 286 T CB 1.186 70.004 68.868 -0.084 0.000 0.954 286 T HN 0.275 nan 8.240 nan 0.000 0.438 287 I N 3.122 123.530 120.570 -0.270 0.000 2.395 287 I HA 0.288 4.458 4.170 0.001 0.000 0.289 287 I C 0.558 176.531 176.117 -0.240 0.000 1.023 287 I CA -0.306 60.765 61.300 -0.382 0.000 1.350 287 I CB 0.898 38.547 38.000 -0.586 0.000 1.409 287 I HN 0.542 nan 8.210 nan 0.000 0.507 288 E N 5.134 125.280 120.200 -0.089 0.000 2.227 288 E HA 0.564 4.914 4.350 0.001 0.000 0.268 288 E C -1.459 175.161 176.600 0.034 0.000 0.907 288 E CA -0.727 55.650 56.400 -0.038 0.000 0.786 288 E CB 2.122 31.959 29.700 0.228 0.000 1.191 288 E HN 0.516 nan 8.360 nan 0.000 0.411 289 c N 1.641 120.091 118.600 -0.251 0.000 2.626 289 c HA 0.778 5.349 4.570 0.001 0.000 0.310 289 c C -0.190 173.653 174.090 -0.411 0.000 1.191 289 c CA -0.863 55.413 56.329 -0.088 0.000 1.517 289 c CB 0.948 43.498 42.510 0.068 0.000 2.102 289 c HN 0.791 nan 8.230 nan 0.000 0.479 290 A N 1.634 124.331 122.820 -0.205 0.000 2.258 290 A HA 0.750 5.070 4.320 0.001 0.000 0.316 290 A C -0.135 177.457 177.584 0.013 0.000 1.279 290 A CA -0.193 51.744 52.037 -0.166 0.000 0.876 290 A CB -0.020 18.849 19.000 -0.218 0.000 1.170 290 A HN 1.008 nan 8.150 nan 0.000 0.520 291 c N 0.833 119.455 118.600 0.036 0.000 2.857 291 c HA 0.803 5.373 4.570 0.001 0.000 0.397 291 c C 0.455 174.573 174.090 0.047 0.000 1.558 291 c CA -0.859 55.498 56.329 0.047 0.000 1.694 291 c CB 1.205 43.752 42.510 0.062 0.000 2.120 291 c HN 0.921 nan 8.230 nan 0.000 0.475 292 R N 1.107 121.637 120.500 0.049 0.000 2.387 292 R HA 0.418 4.759 4.340 0.001 0.000 0.314 292 R C -1.667 174.688 176.300 0.092 0.000 0.958 292 R CA -0.053 56.070 56.100 0.039 0.000 0.846 292 R CB 0.847 31.153 30.300 0.010 0.000 1.147 292 R HN 0.838 nan 8.270 nan 0.000 0.447 293 D N 2.894 123.305 120.400 0.018 0.000 2.303 293 D HA 0.102 4.742 4.640 0.001 0.000 0.236 293 D C -0.258 175.864 176.300 -0.297 0.000 1.068 293 D CA -0.318 53.622 54.000 -0.100 0.000 0.830 293 D CB 1.572 42.352 40.800 -0.033 0.000 1.109 293 D HN 0.608 nan 8.370 nan 0.000 0.496 294 N N 1.477 119.801 118.700 -0.627 0.000 2.280 294 N HA 0.066 4.807 4.740 0.001 0.000 0.192 294 N C 0.549 175.774 175.510 -0.475 0.000 1.109 294 N CA 0.241 53.051 53.050 -0.401 0.000 0.855 294 N CB 0.590 38.970 38.487 -0.177 0.000 0.974 294 N HN 0.156 nan 8.380 nan 0.000 0.482 295 S N -1.307 113.955 115.700 -0.729 0.000 2.748 295 S HA 0.173 4.644 4.470 0.001 0.000 0.241 295 S C 0.623 174.869 174.600 -0.591 0.000 1.064 295 S CA 0.164 57.897 58.200 -0.778 0.000 0.892 295 S CB 0.001 62.350 63.200 -1.418 0.000 0.810 295 S HN 0.277 nan 8.310 nan 0.000 0.555 296 Y N 1.219 121.415 120.300 -0.174 0.000 2.581 296 Y HA 0.451 5.002 4.550 0.001 0.000 0.271 296 Y C 1.097 176.929 175.900 -0.114 0.000 1.100 296 Y CA 0.071 58.105 58.100 -0.111 0.000 1.281 296 Y CB 0.283 38.697 38.460 -0.076 0.000 1.237 296 Y HN 0.195 nan 8.280 nan 0.000 0.514 297 T N -1.208 113.348 114.554 0.003 0.000 2.868 297 T HA 0.659 5.010 4.350 0.001 0.000 0.306 297 T C 0.086 174.721 174.700 -0.108 0.000 1.224 297 T CA -0.108 61.952 62.100 -0.067 0.000 1.012 297 T CB 1.549 70.380 68.868 -0.062 0.000 1.221 297 T HN 0.011 nan 8.240 nan 0.000 0.499 298 A N 2.250 124.970 122.820 -0.165 0.000 2.275 298 A HA 0.371 4.692 4.320 0.001 0.000 0.212 298 A C 0.701 178.200 177.584 -0.143 0.000 1.201 298 A CA 0.103 52.051 52.037 -0.148 0.000 0.843 298 A CB -0.233 18.679 19.000 -0.147 0.000 0.873 298 A HN 0.685 nan 8.150 nan 0.000 0.492 299 K N 1.172 121.464 120.400 -0.179 0.000 2.298 299 K HA 0.258 4.578 4.320 0.001 0.000 0.280 299 K C -0.179 176.411 176.600 -0.016 0.000 1.032 299 K CA -0.248 55.990 56.287 -0.082 0.000 0.958 299 K CB 0.700 33.148 32.500 -0.087 0.000 0.978 299 K HN 0.284 nan 8.250 nan 0.000 0.472 300 R N 3.526 124.037 120.500 0.018 0.000 2.401 300 R HA 0.099 4.439 4.340 0.001 0.000 0.299 300 R C -2.289 174.080 176.300 0.115 0.000 1.064 300 R CA -1.815 54.318 56.100 0.054 0.000 1.000 300 R CB 0.121 30.453 30.300 0.053 0.000 0.973 300 R HN 0.356 nan 8.270 nan 0.000 0.438 301 P HA -0.089 nan 4.420 nan 0.000 0.265 301 P C -0.978 176.476 177.300 0.257 0.000 1.193 301 P CA 0.493 63.697 63.100 0.173 0.000 0.765 301 P CB 0.269 32.055 31.700 0.144 0.000 0.823 302 F N 4.363 124.440 119.950 0.212 0.000 2.460 302 F HA 0.361 4.889 4.527 0.001 0.000 0.341 302 F C -0.765 175.279 175.800 0.408 0.000 1.130 302 F CA -0.804 57.346 58.000 0.251 0.000 0.962 302 F CB 1.064 40.213 39.000 0.247 0.000 1.171 302 F HN -0.031 nan 8.300 nan 0.000 0.436 303 V N 5.830 125.729 119.914 -0.024 0.000 2.481 303 V HA 0.396 4.516 4.120 0.001 0.000 0.286 303 V C -0.463 175.622 176.094 -0.015 0.000 1.042 303 V CA -0.830 61.548 62.300 0.129 0.000 0.928 303 V CB 1.470 33.382 31.823 0.148 0.000 0.986 303 V HN 0.598 nan 8.190 nan 0.000 0.462 304 K N 4.827 125.317 120.400 0.150 0.000 2.450 304 K HA 0.584 4.905 4.320 0.001 0.000 0.257 304 K C -1.262 175.300 176.600 -0.062 0.000 0.953 304 K CA -0.489 55.788 56.287 -0.016 0.000 0.844 304 K CB 2.189 34.627 32.500 -0.102 0.000 1.103 304 K HN 0.533 nan 8.250 nan 0.000 0.429 305 L N 3.237 124.332 121.223 -0.213 0.000 2.305 305 L HA 0.328 4.668 4.340 0.001 0.000 0.284 305 L C -0.560 176.152 176.870 -0.263 0.000 1.013 305 L CA -0.715 53.933 54.840 -0.319 0.000 0.819 305 L CB 1.128 42.818 42.059 -0.616 0.000 1.227 305 L HN 0.585 nan 8.230 nan 0.000 0.417 306 N N 3.743 122.331 118.700 -0.186 0.000 2.406 306 N HA 0.044 4.785 4.740 0.001 0.000 0.251 306 N C 0.700 176.088 175.510 -0.203 0.000 1.069 306 N CA -0.180 52.782 53.050 -0.148 0.000 0.947 306 N CB 1.759 40.205 38.487 -0.069 0.000 1.111 306 N HN 0.574 nan 8.380 nan 0.000 0.497 307 V N 1.238 121.007 119.914 -0.243 0.000 3.380 307 V HA 0.085 4.205 4.120 0.001 0.000 0.268 307 V C 1.355 177.421 176.094 -0.047 0.000 1.168 307 V CA 0.995 63.131 62.300 -0.274 0.000 1.156 307 V CB -0.454 31.164 31.823 -0.342 0.000 0.785 307 V HN 0.524 nan 8.190 nan 0.000 0.487 308 E N 1.671 121.851 120.200 -0.034 0.000 2.140 308 E HA -0.043 4.307 4.350 0.001 0.000 0.191 308 E C 2.113 178.717 176.600 0.006 0.000 0.973 308 E CA 1.447 57.848 56.400 0.001 0.000 0.829 308 E CB 0.045 29.744 29.700 -0.001 0.000 0.781 308 E HN 0.843 nan 8.360 nan 0.000 0.466 309 T N -2.284 112.266 114.554 -0.006 0.000 3.054 309 T HA 0.056 4.407 4.350 0.001 0.000 0.255 309 T C -0.052 174.653 174.700 0.008 0.000 1.035 309 T CA -0.213 61.889 62.100 0.005 0.000 0.941 309 T CB 0.213 69.085 68.868 0.006 0.000 1.026 309 T HN -0.142 nan 8.240 nan 0.000 0.533 310 D N 2.487 122.886 120.400 -0.002 0.000 2.697 310 D HA -0.117 4.523 4.640 0.001 0.000 0.238 310 D C -0.151 176.141 176.300 -0.012 0.000 1.152 310 D CA 1.532 55.538 54.000 0.011 0.000 0.666 310 D CB -1.733 39.105 40.800 0.063 0.000 1.037 310 D HN 0.807 nan 8.370 nan 0.000 0.423 311 T N -2.747 111.785 114.554 -0.038 0.000 2.841 311 T HA 0.784 5.134 4.350 0.001 0.000 0.283 311 T C -0.176 174.497 174.700 -0.045 0.000 1.000 311 T CA -0.568 61.524 62.100 -0.013 0.000 0.977 311 T CB 2.648 71.525 68.868 0.014 0.000 0.979 311 T HN 0.314 nan 8.240 nan 0.000 0.446 312 A N 2.229 125.043 122.820 -0.010 0.000 2.355 312 A HA 0.803 5.124 4.320 0.001 0.000 0.317 312 A C -0.416 177.226 177.584 0.097 0.000 1.094 312 A CA -0.801 51.231 52.037 -0.008 0.000 0.764 312 A CB 1.392 20.361 19.000 -0.052 0.000 1.230 312 A HN 0.938 nan 8.150 nan 0.000 0.448 313 E N 1.345 121.648 120.200 0.172 0.000 2.288 313 E HA 0.735 5.086 4.350 0.001 0.000 0.268 313 E C -1.606 175.194 176.600 0.333 0.000 0.885 313 E CA -0.548 55.993 56.400 0.236 0.000 0.767 313 E CB 1.684 31.595 29.700 0.353 0.000 1.220 313 E HN 0.618 nan 8.360 nan 0.000 0.427 314 I N 3.255 123.907 120.570 0.135 0.000 2.607 314 I HA 0.509 4.679 4.170 0.001 0.000 0.290 314 I C -0.558 175.460 176.117 -0.165 0.000 1.129 314 I CA -0.789 60.603 61.300 0.154 0.000 1.042 314 I CB 1.748 39.836 38.000 0.148 0.000 1.242 314 I HN 0.352 nan 8.210 nan 0.000 0.421 315 R N 5.346 125.723 120.500 -0.206 0.000 2.739 315 R HA 0.614 4.955 4.340 0.001 0.000 0.271 315 R C -1.158 175.126 176.300 -0.026 0.000 1.010 315 R CA -1.127 54.726 56.100 -0.413 0.000 0.897 315 R CB 2.334 31.968 30.300 -1.111 0.000 1.236 315 R HN 0.458 nan 8.270 nan 0.000 0.466 316 L N 1.783 122.989 121.223 -0.028 0.000 2.483 316 L HA 0.194 4.534 4.340 0.001 0.000 0.275 316 L C 0.720 177.665 176.870 0.126 0.000 1.220 316 L CA 0.274 55.150 54.840 0.061 0.000 0.833 316 L CB 0.185 42.243 42.059 -0.003 0.000 1.102 316 L HN 0.379 nan 8.230 nan 0.000 0.490 317 M N 1.798 121.472 119.600 0.123 0.000 2.184 317 M HA 0.012 4.492 4.480 0.001 0.000 0.351 317 M C 0.898 177.211 176.300 0.022 0.000 1.395 317 M CA -0.096 55.234 55.300 0.051 0.000 1.117 317 M CB 0.883 33.467 32.600 -0.026 0.000 1.708 317 M HN 0.762 nan 8.290 nan 0.000 0.468 318 c N 2.760 121.366 118.600 0.010 0.000 2.456 318 c HA -0.028 4.542 4.570 0.001 0.000 0.279 318 c C 1.651 175.748 174.090 0.012 0.000 1.427 318 c CA 0.577 56.916 56.329 0.017 0.000 1.778 318 c CB -0.618 41.901 42.510 0.014 0.000 1.842 318 c HN 0.886 nan 8.230 nan 0.000 0.531 319 T N 0.851 115.373 114.554 -0.053 0.000 2.906 319 T HA -0.028 4.322 4.350 0.001 0.000 0.320 319 T C 1.172 175.800 174.700 -0.120 0.000 1.088 319 T CA 0.796 62.826 62.100 -0.116 0.000 1.120 319 T CB 0.521 69.255 68.868 -0.224 0.000 1.000 319 T HN 0.778 nan 8.240 nan 0.000 0.550 320 E N 1.402 121.446 120.200 -0.259 0.000 2.371 320 E HA 0.019 4.370 4.350 0.001 0.000 0.194 320 E C 0.473 176.486 176.600 -0.978 0.000 1.012 320 E CA 0.333 56.404 56.400 -0.548 0.000 0.860 320 E CB -0.061 29.442 29.700 -0.329 0.000 0.811 320 E HN 0.479 nan 8.360 nan 0.000 0.502 321 T N 2.517 116.713 114.554 -0.597 0.000 3.781 321 T HA 0.084 4.434 4.350 0.001 0.000 0.286 321 T C -0.921 173.497 174.700 -0.470 0.000 1.277 321 T CA -0.418 61.345 62.100 -0.562 0.000 1.136 321 T CB -0.710 67.872 68.868 -0.477 0.000 1.202 321 T HN 0.081 nan 8.240 nan 0.000 0.884 322 Y N 1.460 121.629 120.300 -0.219 0.000 2.620 322 Y HA 0.128 4.678 4.550 0.001 0.000 0.330 322 Y C 1.206 176.978 175.900 -0.214 0.000 1.186 322 Y CA -1.227 56.760 58.100 -0.188 0.000 1.467 322 Y CB 0.079 38.464 38.460 -0.126 0.000 1.262 322 Y HN 0.444 nan 8.280 nan 0.000 0.550 323 L N 1.045 122.246 121.223 -0.036 0.000 2.590 323 L HA 0.139 4.480 4.340 0.001 0.000 0.227 323 L C 0.595 177.450 176.870 -0.024 0.000 1.099 323 L CA 0.081 54.866 54.840 -0.092 0.000 0.872 323 L CB 0.100 42.090 42.059 -0.114 0.000 1.088 323 L HN 0.560 nan 8.230 nan 0.000 0.479 324 D N -0.005 120.391 120.400 -0.006 0.000 2.398 324 D HA 0.259 4.899 4.640 0.001 0.000 0.247 324 D C -0.397 175.895 176.300 -0.013 0.000 1.227 324 D CA 0.425 54.417 54.000 -0.012 0.000 0.980 324 D CB 1.234 42.018 40.800 -0.028 0.000 1.106 324 D HN -0.191 nan 8.370 nan 0.000 0.493 325 T N 1.973 116.513 114.554 -0.024 0.000 3.143 325 T HA 0.397 4.748 4.350 0.001 0.000 0.312 325 T C -2.588 172.081 174.700 -0.052 0.000 0.986 325 T CA -1.005 61.074 62.100 -0.034 0.000 1.024 325 T CB 2.004 70.850 68.868 -0.036 0.000 1.030 325 T HN 0.163 nan 8.240 nan 0.000 0.448 326 P HA 0.501 nan 4.420 nan 0.000 0.272 326 P C -0.496 176.782 177.300 -0.036 0.000 1.240 326 P CA -0.653 62.420 63.100 -0.045 0.000 0.791 326 P CB 0.639 32.310 31.700 -0.049 0.000 0.978 327 R N -0.384 120.106 120.500 -0.016 0.000 2.739 327 R HA 0.695 5.035 4.340 0.001 0.000 0.271 327 R C -3.002 173.314 176.300 0.027 0.000 1.010 327 R CA -1.999 54.103 56.100 0.005 0.000 0.897 327 R CB 0.621 30.957 30.300 0.059 0.000 1.236 327 R HN 0.163 nan 8.270 nan 0.000 0.466 328 P HA 0.207 nan 4.420 nan 0.000 0.317 328 P C -0.922 176.451 177.300 0.123 0.000 1.307 328 P CA -0.405 62.734 63.100 0.063 0.000 0.749 328 P CB 0.239 31.962 31.700 0.037 0.000 1.377 329 D N -0.098 120.357 120.400 0.092 0.000 2.400 329 D HA 0.068 4.709 4.640 0.001 0.000 0.238 329 D C -0.047 176.296 176.300 0.072 0.000 1.157 329 D CA 0.423 54.460 54.000 0.061 0.000 0.889 329 D CB -0.225 40.591 40.800 0.026 0.000 1.199 329 D HN 0.219 nan 8.370 nan 0.000 0.436 330 D N -0.013 120.330 120.400 -0.096 0.000 2.443 330 D HA 0.282 4.923 4.640 0.001 0.000 0.239 330 D C 1.598 177.747 176.300 -0.253 0.000 1.136 330 D CA 0.731 54.503 54.000 -0.380 0.000 0.879 330 D CB 0.776 41.375 40.800 -0.335 0.000 1.195 330 D HN 0.593 nan 8.370 nan 0.000 0.443 331 G N 1.502 110.080 108.800 -0.370 0.000 2.189 331 G HA2 -0.373 3.588 3.960 0.001 0.000 0.267 331 G HA3 -0.373 3.588 3.960 0.001 0.000 0.267 331 G C 1.106 176.057 174.900 0.084 0.000 0.975 331 G CA 1.021 46.074 45.100 -0.079 0.000 0.644 331 G HN 0.609 nan 8.290 nan 0.000 0.537 332 S N -0.643 115.159 115.700 0.169 0.000 2.528 332 S HA 0.380 4.850 4.470 0.001 0.000 0.219 332 S C 1.079 175.746 174.600 0.111 0.000 0.985 332 S CA 0.224 58.497 58.200 0.122 0.000 0.914 332 S CB 0.065 63.323 63.200 0.098 0.000 0.776 332 S HN 0.528 nan 8.310 nan 0.000 0.526 333 I N 4.277 124.948 120.570 0.169 0.000 2.347 333 I HA 0.123 4.294 4.170 0.001 0.000 0.294 333 I C 0.759 176.900 176.117 0.041 0.000 1.090 333 I CA -0.318 60.995 61.300 0.021 0.000 1.314 333 I CB 0.432 38.332 38.000 -0.168 0.000 1.423 333 I HN 0.271 nan 8.210 nan 0.000 0.503 334 T N 2.780 117.341 114.554 0.012 0.000 2.868 334 T HA 0.699 5.050 4.350 0.001 0.000 0.292 334 T C 0.479 175.176 174.700 -0.004 0.000 1.028 334 T CA 0.076 62.181 62.100 0.009 0.000 1.059 334 T CB 1.768 70.637 68.868 0.001 0.000 0.991 334 T HN 1.025 nan 8.240 nan 0.000 0.531 335 G N 2.012 110.810 108.800 -0.003 0.000 2.483 335 G HA2 0.161 4.121 3.960 0.001 0.000 0.521 335 G HA3 0.161 4.121 3.960 0.001 0.000 0.521 335 G C -2.735 172.161 174.900 -0.008 0.000 1.278 335 G CA -0.487 44.607 45.100 -0.011 0.000 0.965 335 G HN 0.893 nan 8.290 nan 0.000 0.504 336 P HA 0.413 nan 4.420 nan 0.000 0.307 336 P C 1.278 178.569 177.300 -0.014 0.000 1.306 336 P CA 0.192 63.284 63.100 -0.013 0.000 0.742 336 P CB 0.163 31.852 31.700 -0.020 0.000 1.349 337 c N -0.499 118.093 118.600 -0.014 0.000 2.419 337 c HA -0.057 4.514 4.570 0.001 0.000 0.283 337 c C 2.168 176.239 174.090 -0.033 0.000 1.373 337 c CA 0.788 57.110 56.329 -0.011 0.000 1.781 337 c CB -1.424 41.084 42.510 -0.003 0.000 1.886 337 c HN 0.613 nan 8.230 nan 0.000 0.520 338 E N 0.670 120.841 120.200 -0.048 0.000 2.478 338 E HA 0.046 4.396 4.350 0.001 0.000 0.194 338 E C 0.543 177.104 176.600 -0.065 0.000 1.045 338 E CA 0.183 56.544 56.400 -0.066 0.000 0.868 338 E CB -0.325 29.328 29.700 -0.079 0.000 0.885 338 E HN 0.394 nan 8.360 nan 0.000 0.505 339 S N 2.502 118.167 115.700 -0.058 0.000 2.552 339 S HA 0.026 4.496 4.470 0.001 0.000 0.289 339 S C 0.958 175.506 174.600 -0.087 0.000 1.304 339 S CA -0.405 57.756 58.200 -0.065 0.000 1.063 339 S CB 0.583 63.751 63.200 -0.054 0.000 0.848 339 S HN 0.191 nan 8.310 nan 0.000 0.499 340 N N 2.893 121.544 118.700 -0.081 0.000 2.004 340 N HA -0.062 4.678 4.740 0.001 0.000 0.196 340 N C 1.728 177.155 175.510 -0.140 0.000 1.064 340 N CA 1.773 54.772 53.050 -0.084 0.000 0.855 340 N CB -0.605 37.858 38.487 -0.041 0.000 1.056 340 N HN 0.693 nan 8.380 nan 0.000 0.423 341 G N -0.704 108.014 108.800 -0.136 0.000 2.639 341 G HA2 0.089 4.049 3.960 0.001 0.000 0.201 341 G HA3 0.089 4.049 3.960 0.001 0.000 0.201 341 G C -0.192 174.665 174.900 -0.072 0.000 1.260 341 G CA -0.074 44.978 45.100 -0.080 0.000 0.749 341 G HN 0.137 nan 8.290 nan 0.000 0.611 342 D N 0.191 120.537 120.400 -0.090 0.000 2.229 342 D HA 0.430 5.071 4.640 0.001 0.000 0.249 342 D C 0.095 176.345 176.300 -0.084 0.000 1.027 342 D CA -0.295 53.663 54.000 -0.070 0.000 0.923 342 D CB 1.616 42.386 40.800 -0.049 0.000 1.174 342 D HN 0.195 nan 8.370 nan 0.000 0.443 343 K N -0.072 120.290 120.400 -0.063 0.000 3.209 343 K HA -0.190 4.130 4.320 0.001 0.000 0.289 343 K C 1.188 177.740 176.600 -0.081 0.000 1.191 343 K CA 0.610 56.858 56.287 -0.064 0.000 0.851 343 K CB -1.223 31.246 32.500 -0.052 0.000 1.242 343 K HN 0.615 nan 8.250 nan 0.000 0.480 344 G N 0.808 109.556 108.800 -0.087 0.000 2.448 344 G HA2 -0.147 3.814 3.960 0.001 0.000 0.218 344 G HA3 -0.147 3.814 3.960 0.001 0.000 0.218 344 G C 0.479 175.300 174.900 -0.131 0.000 1.135 344 G CA 0.614 45.654 45.100 -0.101 0.000 0.784 344 G HN 0.484 nan 8.290 nan 0.000 0.543 345 S N -0.273 115.349 115.700 -0.130 0.000 2.593 345 S HA 0.539 5.010 4.470 0.001 0.000 0.269 345 S C 0.646 175.172 174.600 -0.123 0.000 1.334 345 S CA 0.399 58.504 58.200 -0.158 0.000 1.015 345 S CB 1.080 64.195 63.200 -0.141 0.000 0.912 345 S HN 1.801 nan 8.310 nan 0.000 0.541 346 G N 0.514 109.241 108.800 -0.121 0.000 2.829 346 G HA2 0.431 4.391 3.960 0.001 0.000 0.628 346 G HA3 0.431 4.391 3.960 0.001 0.000 0.628 346 G C 0.008 174.857 174.900 -0.084 0.000 1.412 346 G CA -0.341 44.707 45.100 -0.086 0.000 0.864 346 G HN 2.317 nan 8.290 nan 0.000 0.544 347 G N -1.540 107.230 108.800 -0.051 0.000 2.321 347 G HA2 0.676 4.637 3.960 0.001 0.000 0.296 347 G HA3 0.676 4.637 3.960 0.001 0.000 0.296 347 G C -1.463 173.438 174.900 0.002 0.000 1.287 347 G CA 0.160 45.237 45.100 -0.038 0.000 0.846 347 G HN 1.894 nan 8.290 nan 0.000 0.508 348 I N -0.293 120.276 120.570 -0.002 0.000 2.785 348 I HA 0.399 4.569 4.170 0.001 0.000 0.293 348 I C -0.618 175.425 176.117 -0.123 0.000 1.446 348 I CA -0.844 60.465 61.300 0.015 0.000 1.028 348 I CB 2.176 40.207 38.000 0.052 0.000 1.349 348 I HN 0.613 nan 8.210 nan 0.000 0.438 349 K N 3.906 124.036 120.400 -0.451 0.000 2.350 349 K HA 0.507 4.827 4.320 0.001 0.000 0.279 349 K C -0.301 176.232 176.600 -0.112 0.000 1.027 349 K CA 0.048 56.062 56.287 -0.454 0.000 0.969 349 K CB 0.996 32.907 32.500 -0.981 0.000 0.954 349 K HN 0.757 nan 8.250 nan 0.000 0.474 350 G N 1.710 110.517 108.800 0.013 0.000 2.566 350 G HA2 0.495 4.456 3.960 0.001 0.000 0.311 350 G HA3 0.495 4.456 3.960 0.001 0.000 0.311 350 G C -0.476 174.543 174.900 0.199 0.000 1.322 350 G CA -0.870 44.298 45.100 0.115 0.000 0.969 350 G HN 0.730 nan 8.290 nan 0.000 0.490 351 G N -0.604 108.326 108.800 0.217 0.000 2.544 351 G HA2 0.522 4.482 3.960 0.001 0.000 0.242 351 G HA3 0.522 4.482 3.960 0.001 0.000 0.242 351 G C -1.096 174.006 174.900 0.337 0.000 1.247 351 G CA -0.065 45.177 45.100 0.236 0.000 0.840 351 G HN 1.041 nan 8.290 nan 0.000 0.578 352 F N 1.273 121.262 119.950 0.066 0.000 2.655 352 F HA 0.494 5.021 4.527 0.001 0.000 0.324 352 F C -1.474 174.269 175.800 -0.095 0.000 1.081 352 F CA -1.081 56.875 58.000 -0.074 0.000 1.088 352 F CB 0.871 39.845 39.000 -0.043 0.000 1.327 352 F HN 0.672 nan 8.300 nan 0.000 0.522 353 V N 5.377 124.898 119.914 -0.657 0.000 3.120 353 V HA 0.540 4.661 4.120 0.001 0.000 0.303 353 V C -1.634 174.105 176.094 -0.592 0.000 1.238 353 V CA -0.556 61.390 62.300 -0.590 0.000 1.008 353 V CB 2.546 34.292 31.823 -0.127 0.000 1.064 353 V HN 0.875 nan 8.190 nan 0.000 0.434 354 H N 2.977 121.905 119.070 -0.237 0.000 2.458 354 H HA 0.540 5.097 4.556 0.001 0.000 0.330 354 H C -0.350 175.037 175.328 0.098 0.000 1.111 354 H CA -0.190 55.819 56.048 -0.065 0.000 1.245 354 H CB 1.541 31.260 29.762 -0.071 0.000 1.456 354 H HN 0.624 nan 8.280 nan 0.000 0.488 355 Q N 3.410 123.404 119.800 0.323 0.000 2.431 355 Q HA 0.266 4.606 4.340 0.001 0.000 0.249 355 Q C -0.766 175.379 176.000 0.242 0.000 1.025 355 Q CA -0.827 55.162 55.803 0.310 0.000 0.835 355 Q CB 0.389 29.428 28.738 0.501 0.000 1.207 355 Q HN 0.598 nan 8.270 nan 0.000 0.490 356 R N 3.733 124.338 120.500 0.175 0.000 2.210 356 R HA 0.333 4.674 4.340 0.001 0.000 0.338 356 R C -0.422 175.948 176.300 0.117 0.000 1.062 356 R CA 0.234 56.410 56.100 0.127 0.000 0.902 356 R CB 0.721 31.068 30.300 0.079 0.000 1.050 356 R HN 0.515 nan 8.270 nan 0.000 0.461 357 M N 0.893 120.567 119.600 0.124 0.000 2.705 357 M HA 0.348 4.829 4.480 0.001 0.000 0.311 357 M C 1.274 177.614 176.300 0.066 0.000 1.214 357 M CA -0.425 54.934 55.300 0.099 0.000 0.920 357 M CB 1.704 34.375 32.600 0.119 0.000 1.687 357 M HN 0.668 nan 8.290 nan 0.000 0.481 358 A N 0.195 123.043 122.820 0.047 0.000 1.870 358 A HA -0.155 4.165 4.320 0.001 0.000 0.219 358 A C 1.560 179.161 177.584 0.029 0.000 1.224 358 A CA 2.391 54.445 52.037 0.029 0.000 0.650 358 A CB -0.710 18.302 19.000 0.021 0.000 0.836 358 A HN 0.712 nan 8.150 nan 0.000 0.454 359 S N -0.971 114.748 115.700 0.032 0.000 2.661 359 S HA 0.385 4.856 4.470 0.001 0.000 0.245 359 S C -0.228 174.399 174.600 0.044 0.000 1.117 359 S CA -0.361 57.857 58.200 0.030 0.000 1.091 359 S CB -0.025 63.186 63.200 0.019 0.000 0.887 359 S HN 0.549 nan 8.310 nan 0.000 0.491 360 K N 1.284 121.726 120.400 0.069 0.000 2.557 360 K HA 0.465 4.785 4.320 0.001 0.000 0.261 360 K C -2.093 174.596 176.600 0.148 0.000 0.932 360 K CA -0.551 55.799 56.287 0.105 0.000 0.829 360 K CB 1.748 34.310 32.500 0.104 0.000 1.358 360 K HN 0.244 nan 8.250 nan 0.000 0.430 361 I N 2.568 123.236 120.570 0.163 0.000 2.389 361 I HA 0.462 4.632 4.170 0.001 0.000 0.288 361 I C -0.151 176.058 176.117 0.154 0.000 0.999 361 I CA -0.298 61.102 61.300 0.168 0.000 1.129 361 I CB 1.510 39.586 38.000 0.128 0.000 1.288 361 I HN 0.708 nan 8.210 nan 0.000 0.444 362 G N 6.520 115.384 108.800 0.107 0.000 2.395 362 G HA2 0.498 4.458 3.960 0.001 0.000 0.283 362 G HA3 0.498 4.458 3.960 0.001 0.000 0.283 362 G C -0.682 174.073 174.900 -0.241 0.000 1.178 362 G CA -0.623 44.238 45.100 -0.399 0.000 0.837 362 G HN 0.633 nan 8.290 nan 0.000 0.518 363 R N 1.051 121.297 120.500 -0.423 0.000 2.337 363 R HA 0.242 4.582 4.340 0.001 0.000 0.319 363 R C -1.289 174.683 176.300 -0.546 0.000 0.954 363 R CA -0.519 55.418 56.100 -0.271 0.000 0.840 363 R CB 1.570 31.870 30.300 0.000 0.000 1.164 363 R HN 0.569 nan 8.270 nan 0.000 0.472 364 W N 3.134 124.173 121.300 -0.436 0.000 2.417 364 W HA 0.393 5.054 4.660 0.001 0.000 0.317 364 W C -0.244 176.045 176.519 -0.382 0.000 1.121 364 W CA -0.043 57.071 57.345 -0.385 0.000 1.208 364 W CB 0.728 29.893 29.460 -0.492 0.000 1.253 364 W HN 0.438 nan 8.180 nan 0.000 0.533 365 Y N 0.696 121.131 120.300 0.225 0.000 2.615 365 Y HA 0.598 5.148 4.550 0.001 0.000 0.341 365 Y C 0.170 176.197 175.900 0.212 0.000 1.089 365 Y CA -1.354 56.881 58.100 0.225 0.000 1.049 365 Y CB 2.090 40.627 38.460 0.128 0.000 1.296 365 Y HN 0.313 nan 8.280 nan 0.000 0.470 366 S N 1.263 117.178 115.700 0.359 0.000 2.599 366 S HA 0.948 5.418 4.470 0.001 0.000 0.287 366 S C -1.189 173.549 174.600 0.230 0.000 1.105 366 S CA -1.009 57.363 58.200 0.286 0.000 0.899 366 S CB 2.857 66.158 63.200 0.168 0.000 1.100 366 S HN 0.895 nan 8.310 nan 0.000 0.482 367 R N -0.427 120.210 120.500 0.229 0.000 2.629 367 R HA 0.531 4.872 4.340 0.001 0.000 0.266 367 R C -0.882 175.502 176.300 0.140 0.000 1.051 367 R CA -0.661 55.516 56.100 0.130 0.000 0.895 367 R CB 0.522 30.825 30.300 0.004 0.000 1.246 367 R HN 0.793 nan 8.270 nan 0.000 0.459 368 T N 0.619 115.225 114.554 0.088 0.000 2.939 368 T HA 0.002 4.353 4.350 0.001 0.000 0.319 368 T C 1.162 175.909 174.700 0.079 0.000 1.082 368 T CA -0.349 61.795 62.100 0.073 0.000 1.133 368 T CB 0.393 69.281 68.868 0.033 0.000 1.019 368 T HN 0.598 nan 8.240 nan 0.000 0.548 369 M N 1.808 121.451 119.600 0.072 0.000 2.229 369 M HA 0.092 4.573 4.480 0.001 0.000 0.264 369 M C 1.445 177.773 176.300 0.046 0.000 1.063 369 M CA 0.929 56.269 55.300 0.066 0.000 1.114 369 M CB -0.739 31.891 32.600 0.050 0.000 1.387 369 M HN 0.828 nan 8.290 nan 0.000 0.420 370 S N -0.436 115.282 115.700 0.031 0.000 2.585 370 S HA 0.189 4.659 4.470 0.001 0.000 0.277 370 S C 1.019 175.623 174.600 0.006 0.000 1.241 370 S CA -0.491 57.718 58.200 0.015 0.000 1.041 370 S CB 0.880 64.082 63.200 0.004 0.000 0.987 370 S HN 0.304 nan 8.310 nan 0.000 0.512 371 K N 1.810 122.211 120.400 0.003 0.000 2.366 371 K HA 0.032 4.353 4.320 0.001 0.000 0.198 371 K C 0.806 177.398 176.600 -0.014 0.000 1.044 371 K CA 1.079 57.366 56.287 -0.001 0.000 0.973 371 K CB 0.095 32.598 32.500 0.005 0.000 0.767 371 K HN 0.632 nan 8.250 nan 0.000 0.475 372 T N -0.523 114.016 114.554 -0.024 0.000 2.969 372 T HA 0.157 4.507 4.350 0.001 0.000 0.258 372 T C 0.089 174.751 174.700 -0.063 0.000 0.962 372 T CA -0.084 61.992 62.100 -0.039 0.000 0.903 372 T CB 0.826 69.675 68.868 -0.032 0.000 1.177 372 T HN -0.059 nan 8.240 nan 0.000 0.511 373 K N 1.371 121.733 120.400 -0.062 0.000 2.340 373 K HA 0.511 4.832 4.320 0.001 0.000 0.244 373 K C -0.462 176.065 176.600 -0.121 0.000 0.973 373 K CA -0.878 55.353 56.287 -0.093 0.000 0.828 373 K CB 2.049 34.518 32.500 -0.051 0.000 1.226 373 K HN -0.104 nan 8.250 nan 0.000 0.437 374 R N 1.806 122.168 120.500 -0.230 0.000 4.496 374 R HA 0.212 4.553 4.340 0.001 0.000 0.211 374 R C -0.388 175.872 176.300 -0.067 0.000 1.738 374 R CA 0.024 55.940 56.100 -0.306 0.000 1.528 374 R CB -0.088 29.627 30.300 -0.974 0.000 1.414 374 R HN 0.217 nan 8.270 nan 0.000 0.812 375 M N 0.530 120.132 119.600 0.003 0.000 2.321 375 M HA 0.383 4.864 4.480 0.001 0.000 0.315 375 M C 0.523 176.859 176.300 0.061 0.000 1.052 375 M CA -0.499 54.838 55.300 0.061 0.000 0.936 375 M CB 1.594 34.221 32.600 0.045 0.000 1.639 375 M HN 0.525 nan 8.290 nan 0.000 0.433 376 G N 2.785 111.631 108.800 0.077 0.000 2.860 376 G HA2 -0.004 3.957 3.960 0.001 0.000 0.553 376 G HA3 -0.004 3.957 3.960 0.001 0.000 0.553 376 G C -1.215 173.729 174.900 0.072 0.000 1.439 376 G CA -0.554 44.584 45.100 0.063 0.000 0.879 376 G HN 0.766 nan 8.290 nan 0.000 0.545 377 M N 0.249 119.880 119.600 0.051 0.000 2.325 377 M HA 0.650 5.131 4.480 0.001 0.000 0.285 377 M C -0.066 176.238 176.300 0.007 0.000 1.119 377 M CA 0.537 55.869 55.300 0.054 0.000 0.959 377 M CB 1.719 34.352 32.600 0.055 0.000 1.737 377 M HN 1.919 nan 8.290 nan 0.000 0.486 378 G N 2.901 111.736 108.800 0.059 0.000 2.453 378 G HA2 0.701 4.661 3.960 0.001 0.000 0.323 378 G HA3 0.701 4.661 3.960 0.001 0.000 0.323 378 G C -2.239 172.630 174.900 -0.052 0.000 1.198 378 G CA -0.673 44.399 45.100 -0.047 0.000 0.959 378 G HN 0.761 nan 8.290 nan 0.000 0.482 379 L N 0.942 122.017 121.223 -0.248 0.000 2.296 379 L HA 0.721 5.062 4.340 0.001 0.000 0.286 379 L C -1.301 175.391 176.870 -0.297 0.000 1.023 379 L CA -1.000 53.764 54.840 -0.127 0.000 0.812 379 L CB 0.750 42.732 42.059 -0.130 0.000 1.223 379 L HN 0.524 nan 8.230 nan 0.000 0.421 380 Y N 3.450 123.787 120.300 0.062 0.000 2.598 380 Y HA 0.804 5.355 4.550 0.001 0.000 0.340 380 Y C -0.439 175.413 175.900 -0.080 0.000 1.038 380 Y CA -0.792 57.312 58.100 0.007 0.000 1.100 380 Y CB 2.231 40.693 38.460 0.004 0.000 1.281 380 Y HN 0.416 nan 8.280 nan 0.000 0.488 381 V N 1.591 121.438 119.914 -0.112 0.000 3.048 381 V HA 0.645 4.766 4.120 0.001 0.000 0.303 381 V C -1.862 174.019 176.094 -0.354 0.000 1.214 381 V CA -0.741 61.229 62.300 -0.550 0.000 0.984 381 V CB 2.251 33.226 31.823 -1.413 0.000 1.054 381 V HN 0.791 nan 8.190 nan 0.000 0.430 382 K N 3.903 124.062 120.400 -0.402 0.000 2.501 382 K HA 0.637 4.957 4.320 0.001 0.000 0.252 382 K C -2.218 174.162 176.600 -0.368 0.000 0.934 382 K CA -0.494 55.646 56.287 -0.244 0.000 0.797 382 K CB 1.934 34.385 32.500 -0.081 0.000 1.270 382 K HN 0.647 nan 8.250 nan 0.000 0.431 383 Y N 3.315 123.556 120.300 -0.099 0.000 2.328 383 Y HA 0.258 4.809 4.550 0.001 0.000 0.337 383 Y C 0.103 175.986 175.900 -0.027 0.000 1.008 383 Y CA 0.124 58.188 58.100 -0.060 0.000 1.129 383 Y CB 1.061 39.488 38.460 -0.055 0.000 1.185 383 Y HN 0.787 nan 8.280 nan 0.000 0.476 384 D N 0.890 121.353 120.400 0.106 0.000 4.488 384 D HA -0.116 4.525 4.640 0.001 0.000 0.303 384 D C 0.454 176.764 176.300 0.018 0.000 2.374 384 D CA 1.710 55.747 54.000 0.062 0.000 1.117 384 D CB -0.606 40.234 40.800 0.067 0.000 1.102 384 D HN 1.088 nan 8.370 nan 0.000 1.284 385 G N -0.163 108.638 108.800 0.003 0.000 2.757 385 G HA2 0.129 4.089 3.960 0.001 0.000 0.638 385 G HA3 0.129 4.089 3.960 0.001 0.000 0.638 385 G C -1.182 173.684 174.900 -0.056 0.000 1.344 385 G CA 0.375 45.461 45.100 -0.023 0.000 0.855 385 G HN 0.863 nan 8.290 nan 0.000 0.537 386 D N 0.311 120.668 120.400 -0.072 0.000 2.414 386 D HA 0.621 5.262 4.640 0.001 0.000 0.232 386 D C -1.031 175.164 176.300 -0.176 0.000 1.070 386 D CA -2.289 51.636 54.000 -0.124 0.000 0.839 386 D CB 1.673 42.447 40.800 -0.044 0.000 1.079 386 D HN 0.026 nan 8.370 nan 0.000 0.521 387 P HA -0.036 nan 4.420 nan 0.000 0.225 387 P C 0.877 178.051 177.300 -0.210 0.000 1.148 387 P CA 0.507 63.339 63.100 -0.447 0.000 0.779 387 P CB 0.113 31.182 31.700 -1.050 0.000 0.780 388 W N 0.120 121.277 121.300 -0.238 0.000 2.800 388 W HA 0.071 4.732 4.660 0.001 0.000 0.249 388 W C 1.686 178.155 176.519 -0.084 0.000 1.294 388 W CA 1.670 58.942 57.345 -0.122 0.000 1.402 388 W CB -1.289 28.145 29.460 -0.044 0.000 1.126 388 W HN 0.168 nan 8.180 nan 0.000 0.652 389 T N -5.263 109.362 114.554 0.118 0.000 3.010 389 T HA 0.086 4.436 4.350 0.001 0.000 0.253 389 T C -0.036 174.670 174.700 0.011 0.000 0.939 389 T CA -0.160 61.978 62.100 0.063 0.000 0.910 389 T CB 0.054 68.962 68.868 0.068 0.000 1.226 389 T HN -0.364 nan 8.240 nan 0.000 0.508 390 D N 3.112 123.500 120.400 -0.020 0.000 2.358 390 D HA 0.340 4.981 4.640 0.001 0.000 0.258 390 D C 1.167 177.436 176.300 -0.051 0.000 1.223 390 D CA 0.219 54.194 54.000 -0.042 0.000 0.886 390 D CB 1.485 42.245 40.800 -0.067 0.000 1.120 390 D HN 0.453 nan 8.370 nan 0.000 0.482 391 S N 0.997 116.674 115.700 -0.040 0.000 2.548 391 S HA 0.000 4.471 4.470 0.001 0.000 0.215 391 S C 0.518 175.075 174.600 -0.072 0.000 0.976 391 S CA -0.518 57.656 58.200 -0.045 0.000 0.908 391 S CB 0.175 63.361 63.200 -0.023 0.000 0.781 391 S HN 0.285 nan 8.310 nan 0.000 0.519 392 D N 3.261 123.621 120.400 -0.067 0.000 2.525 392 D HA 0.338 4.978 4.640 0.001 0.000 0.235 392 D C 0.481 176.719 176.300 -0.102 0.000 1.137 392 D CA 0.558 54.516 54.000 -0.070 0.000 0.868 392 D CB 0.691 41.459 40.800 -0.053 0.000 1.180 392 D HN 0.486 nan 8.370 nan 0.000 0.465 393 A N 2.647 125.406 122.820 -0.102 0.000 2.531 393 A HA 0.127 4.447 4.320 0.001 0.000 0.236 393 A C 0.029 177.555 177.584 -0.097 0.000 1.062 393 A CA -0.315 51.647 52.037 -0.124 0.000 0.760 393 A CB 0.188 19.129 19.000 -0.098 0.000 0.995 393 A HN 0.433 nan 8.150 nan 0.000 0.501 394 L N 1.502 122.653 121.223 -0.118 0.000 2.397 394 L HA 0.418 4.759 4.340 0.001 0.000 0.271 394 L C 0.993 177.904 176.870 0.067 0.000 1.148 394 L CA 0.472 55.277 54.840 -0.058 0.000 0.825 394 L CB 0.788 42.770 42.059 -0.128 0.000 1.117 394 L HN 0.775 nan 8.230 nan 0.000 0.456 395 A N 4.080 126.927 122.820 0.045 0.000 2.396 395 A HA 0.351 4.672 4.320 0.001 0.000 0.279 395 A C -0.317 177.289 177.584 0.036 0.000 1.165 395 A CA -0.454 51.603 52.037 0.032 0.000 0.824 395 A CB -0.272 18.717 19.000 -0.018 0.000 1.100 395 A HN 0.614 nan 8.150 nan 0.000 0.516 396 L N 3.832 125.055 121.223 0.000 0.000 2.433 396 L HA 0.260 4.600 4.340 0.001 0.000 0.275 396 L C 1.171 177.906 176.870 -0.224 0.000 1.128 396 L CA 1.133 55.804 54.840 -0.281 0.000 0.875 396 L CB 0.721 42.665 42.059 -0.191 0.000 1.171 396 L HN 0.653 nan 8.230 nan 0.000 0.463 397 S N 3.006 118.540 115.700 -0.276 0.000 2.497 397 S HA 0.558 5.029 4.470 0.001 0.000 0.221 397 S C 0.521 175.095 174.600 -0.044 0.000 1.037 397 S CA 0.364 58.525 58.200 -0.064 0.000 0.920 397 S CB -0.060 63.200 63.200 0.100 0.000 0.800 397 S HN 1.088 nan 8.310 nan 0.000 0.505 398 G N -0.141 108.573 108.800 -0.143 0.000 2.338 398 G HA2 0.397 4.358 3.960 0.001 0.000 0.295 398 G HA3 0.397 4.358 3.960 0.001 0.000 0.295 398 G C -1.888 172.924 174.900 -0.147 0.000 1.461 398 G CA -0.513 44.531 45.100 -0.094 0.000 0.817 398 G HN 0.191 nan 8.290 nan 0.000 0.556 399 V N 2.106 121.969 119.914 -0.086 0.000 2.348 399 V HA 0.272 4.393 4.120 0.001 0.000 0.270 399 V C 1.262 177.293 176.094 -0.105 0.000 1.037 399 V CA -0.150 62.101 62.300 -0.082 0.000 0.872 399 V CB 0.916 32.724 31.823 -0.025 0.000 1.002 399 V HN 0.783 nan 8.190 nan 0.000 0.464 400 M N 3.780 123.252 119.600 -0.214 0.000 2.248 400 M HA 0.111 4.591 4.480 0.001 0.000 0.265 400 M C 0.113 176.365 176.300 -0.081 0.000 1.079 400 M CA 1.341 56.403 55.300 -0.398 0.000 1.150 400 M CB 0.335 32.522 32.600 -0.687 0.000 1.366 400 M HN 0.438 nan 8.290 nan 0.000 0.433 401 V N 0.851 120.746 119.914 -0.032 0.000 2.525 401 V HA 0.220 4.341 4.120 0.001 0.000 0.299 401 V C 0.066 176.170 176.094 0.017 0.000 1.034 401 V CA -1.120 61.196 62.300 0.026 0.000 0.863 401 V CB 1.530 33.387 31.823 0.057 0.000 0.999 401 V HN 0.391 nan 8.190 nan 0.000 0.423 402 S N 4.792 120.499 115.700 0.012 0.000 2.580 402 S HA 0.133 4.604 4.470 0.001 0.000 0.266 402 S C 1.189 175.804 174.600 0.025 0.000 1.354 402 S CA 0.081 58.289 58.200 0.014 0.000 1.008 402 S CB 0.590 63.793 63.200 0.005 0.000 0.898 402 S HN 0.761 nan 8.310 nan 0.000 0.555 403 M N 0.988 120.603 119.600 0.025 0.000 2.435 403 M HA -0.038 4.442 4.480 0.001 0.000 0.262 403 M C 1.376 177.695 176.300 0.031 0.000 1.065 403 M CA 1.679 56.997 55.300 0.030 0.000 1.076 403 M CB -0.783 31.832 32.600 0.025 0.000 1.403 403 M HN 0.840 nan 8.290 nan 0.000 0.454 404 E N 0.111 120.326 120.200 0.026 0.000 2.371 404 E HA 0.032 4.382 4.350 0.001 0.000 0.194 404 E C 0.113 176.733 176.600 0.033 0.000 1.012 404 E CA 0.491 56.907 56.400 0.025 0.000 0.860 404 E CB 0.105 29.814 29.700 0.016 0.000 0.811 404 E HN 0.466 nan 8.360 nan 0.000 0.502 405 E N 0.699 120.922 120.200 0.038 0.000 2.212 405 E HA 0.255 4.606 4.350 0.001 0.000 0.270 405 E C -2.396 174.253 176.600 0.082 0.000 0.956 405 E CA -2.485 53.944 56.400 0.048 0.000 0.825 405 E CB 1.023 30.744 29.700 0.035 0.000 1.167 405 E HN -0.055 nan 8.360 nan 0.000 0.400 406 P HA 0.146 nan 4.420 nan 0.000 0.271 406 P C -0.391 177.050 177.300 0.234 0.000 1.216 406 P CA -0.272 62.950 63.100 0.204 0.000 0.776 406 P CB 0.639 32.424 31.700 0.141 0.000 0.881 407 G N 2.159 111.157 108.800 0.331 0.000 3.113 407 G HA2 0.381 4.341 3.960 0.001 0.000 0.301 407 G HA3 0.381 4.341 3.960 0.001 0.000 0.301 407 G C -0.847 174.274 174.900 0.368 0.000 1.606 407 G CA -0.425 44.849 45.100 0.290 0.000 1.060 407 G HN 0.319 nan 8.290 nan 0.000 0.540 408 W N 0.854 122.222 121.300 0.113 0.000 1.763 408 W HA 0.509 5.169 4.660 0.001 0.000 0.645 408 W C 0.499 177.213 176.519 0.326 0.000 1.367 408 W CA -0.792 56.661 57.345 0.181 0.000 1.064 408 W CB -0.606 28.908 29.460 0.090 0.000 3.517 408 W HN 0.323 nan 8.180 nan 0.000 0.762 409 Y N 1.549 122.110 120.300 0.435 0.000 2.788 409 Y HA 0.186 4.736 4.550 0.001 0.000 0.341 409 Y C 0.865 176.967 175.900 0.337 0.000 1.258 409 Y CA -0.380 57.931 58.100 0.350 0.000 1.503 409 Y CB -0.431 38.258 38.460 0.381 0.000 1.325 409 Y HN 0.063 nan 8.280 nan 0.000 0.614 410 S N 3.016 118.955 115.700 0.399 0.000 2.627 410 S HA 0.925 5.395 4.470 0.001 0.000 0.283 410 S C -1.202 173.600 174.600 0.336 0.000 1.127 410 S CA -0.867 57.496 58.200 0.272 0.000 0.863 410 S CB 2.356 65.641 63.200 0.141 0.000 1.121 410 S HN 0.526 nan 8.310 nan 0.000 0.479 411 F N -1.827 118.296 119.950 0.287 0.000 2.693 411 F HA 0.908 5.435 4.527 0.001 0.000 0.309 411 F C -0.228 175.776 175.800 0.340 0.000 1.129 411 F CA -0.870 57.301 58.000 0.284 0.000 0.948 411 F CB 0.931 40.113 39.000 0.303 0.000 1.315 411 F HN 0.909 nan 8.300 nan 0.000 0.447 412 G N 0.553 109.647 108.800 0.490 0.000 2.454 412 G HA2 0.791 4.752 3.960 0.001 0.000 0.329 412 G HA3 0.791 4.752 3.960 0.001 0.000 0.329 412 G C -1.801 173.463 174.900 0.606 0.000 1.177 412 G CA -0.946 44.377 45.100 0.371 0.000 0.951 412 G HN 1.215 nan 8.290 nan 0.000 0.485 413 F N -1.887 118.204 119.950 0.235 0.000 2.817 413 F HA 0.751 5.279 4.527 0.001 0.000 0.317 413 F C -1.196 174.692 175.800 0.146 0.000 1.168 413 F CA -1.329 56.810 58.000 0.233 0.000 0.911 413 F CB 1.478 40.681 39.000 0.337 0.000 1.337 413 F HN 0.428 nan 8.300 nan 0.000 0.464 414 E N 2.126 122.477 120.200 0.252 0.000 2.260 414 E HA 0.502 4.853 4.350 0.001 0.000 0.266 414 E C -1.203 175.500 176.600 0.171 0.000 0.887 414 E CA -0.699 55.748 56.400 0.078 0.000 0.777 414 E CB 2.967 32.728 29.700 0.102 0.000 1.205 414 E HN 0.515 nan 8.360 nan 0.000 0.414 415 I N 2.683 123.300 120.570 0.077 0.000 2.532 415 I HA 0.196 4.367 4.170 0.001 0.000 0.292 415 I C 0.243 176.393 176.117 0.055 0.000 1.014 415 I CA -0.706 60.661 61.300 0.113 0.000 1.340 415 I CB 0.674 38.723 38.000 0.081 0.000 1.422 415 I HN 0.205 nan 8.210 nan 0.000 0.528 416 K N 4.289 124.722 120.400 0.055 0.000 2.292 416 K HA 0.329 4.649 4.320 0.001 0.000 0.270 416 K C -0.759 175.851 176.600 0.016 0.000 1.062 416 K CA -0.716 55.588 56.287 0.029 0.000 0.916 416 K CB 1.401 33.915 32.500 0.023 0.000 1.166 416 K HN 0.438 nan 8.250 nan 0.000 0.458 417 D N 2.080 122.484 120.400 0.006 0.000 2.414 417 D HA 0.078 4.719 4.640 0.001 0.000 0.259 417 D C 1.058 177.360 176.300 0.002 0.000 1.269 417 D CA -0.285 53.715 54.000 0.000 0.000 1.028 417 D CB 0.967 41.763 40.800 -0.008 0.000 1.093 417 D HN 0.256 nan 8.370 nan 0.000 0.545 418 K N -0.302 120.098 120.400 0.000 0.000 2.026 418 K HA -0.087 4.233 4.320 0.001 0.000 0.208 418 K C 1.137 177.739 176.600 0.002 0.000 1.048 418 K CA 1.273 57.561 56.287 0.001 0.000 0.929 418 K CB 0.104 32.603 32.500 -0.001 0.000 0.713 418 K HN 0.249 nan 8.250 nan 0.000 0.439 419 K N -0.735 119.667 120.400 0.002 0.000 2.447 419 K HA 0.109 4.430 4.320 0.001 0.000 0.205 419 K C -0.394 176.209 176.600 0.005 0.000 1.059 419 K CA -0.196 56.093 56.287 0.003 0.000 1.065 419 K CB 0.990 33.490 32.500 0.001 0.000 0.885 419 K HN 0.251 nan 8.250 nan 0.000 0.545 420 c N -1.278 117.325 118.600 0.006 0.000 3.241 420 c HA 0.535 5.106 4.570 0.001 0.000 0.312 420 c C -1.497 172.598 174.090 0.008 0.000 1.350 420 c CA -1.388 54.946 56.329 0.008 0.000 1.415 420 c CB 1.471 43.986 42.510 0.008 0.000 1.770 420 c HN 0.031 nan 8.230 nan 0.000 0.466 421 D N 1.235 121.643 120.400 0.013 0.000 2.198 421 D HA 0.497 5.138 4.640 0.001 0.000 0.245 421 D C -0.491 175.801 176.300 -0.014 0.000 1.079 421 D CA -0.050 53.958 54.000 0.013 0.000 0.854 421 D CB 2.015 42.836 40.800 0.035 0.000 1.148 421 D HN 0.497 nan 8.370 nan 0.000 0.456 422 V N 5.258 125.144 119.914 -0.046 0.000 2.333 422 V HA 0.255 4.375 4.120 0.001 0.000 0.274 422 V C -2.084 173.891 176.094 -0.199 0.000 1.028 422 V CA -1.507 60.719 62.300 -0.122 0.000 0.851 422 V CB 1.270 33.011 31.823 -0.137 0.000 1.000 422 V HN 0.371 nan 8.190 nan 0.000 0.456 423 P HA 0.381 nan 4.420 nan 0.000 0.281 423 P C -0.790 176.187 177.300 -0.538 0.000 1.252 423 P CA -0.196 62.752 63.100 -0.253 0.000 0.778 423 P CB 1.050 32.700 31.700 -0.083 0.000 0.895 424 c N 3.684 121.931 118.600 -0.589 0.000 2.994 424 c HA 0.623 5.194 4.570 0.001 0.000 0.304 424 c C -0.370 173.474 174.090 -0.411 0.000 1.273 424 c CA -0.548 55.328 56.329 -0.754 0.000 1.537 424 c CB 1.837 43.546 42.510 -1.335 0.000 2.001 424 c HN 0.448 nan 8.230 nan 0.000 0.471 425 I N 2.041 122.567 120.570 -0.073 0.000 2.478 425 I HA 0.469 4.640 4.170 0.001 0.000 0.287 425 I C 0.417 176.554 176.117 0.034 0.000 1.042 425 I CA 0.362 61.700 61.300 0.063 0.000 1.067 425 I CB 1.299 39.397 38.000 0.164 0.000 1.233 425 I HN 0.915 nan 8.210 nan 0.000 0.431 426 G N 6.644 115.259 108.800 -0.309 0.000 2.389 426 G HA2 0.771 4.731 3.960 0.001 0.000 0.317 426 G HA3 0.771 4.731 3.960 0.001 0.000 0.317 426 G C -0.756 173.751 174.900 -0.656 0.000 1.137 426 G CA -0.421 44.325 45.100 -0.591 0.000 0.870 426 G HN 0.487 nan 8.290 nan 0.000 0.496 427 I N 0.639 121.138 120.570 -0.118 0.000 2.439 427 I HA 0.221 4.392 4.170 0.001 0.000 0.285 427 I C 0.131 176.391 176.117 0.238 0.000 1.021 427 I CA -0.602 60.747 61.300 0.082 0.000 1.091 427 I CB 2.303 40.381 38.000 0.130 0.000 1.242 427 I HN 0.518 nan 8.210 nan 0.000 0.439 428 E N 7.559 127.978 120.200 0.366 0.000 2.292 428 E HA 0.174 4.525 4.350 0.001 0.000 0.265 428 E C -0.766 175.953 176.600 0.199 0.000 1.093 428 E CA -0.091 56.507 56.400 0.330 0.000 0.922 428 E CB 0.587 30.530 29.700 0.406 0.000 1.001 428 E HN 0.542 nan 8.360 nan 0.000 0.444 429 M N 5.440 125.073 119.600 0.056 0.000 2.480 429 M HA 0.194 4.674 4.480 0.001 0.000 0.320 429 M C -0.810 175.249 176.300 -0.402 0.000 1.141 429 M CA -0.682 54.577 55.300 -0.068 0.000 1.102 429 M CB 1.213 33.792 32.600 -0.035 0.000 1.249 429 M HN 0.215 nan 8.290 nan 0.000 0.446 430 V N 2.483 122.031 119.914 -0.609 0.000 2.740 430 V HA -0.022 4.099 4.120 0.001 0.000 0.303 430 V C 0.574 176.114 176.094 -0.923 0.000 1.054 430 V CA -0.018 61.677 62.300 -1.007 0.000 1.106 430 V CB 0.214 30.914 31.823 -1.873 0.000 0.957 430 V HN 0.556 nan 8.190 nan 0.000 0.486 431 H N 2.999 121.741 119.070 -0.547 0.000 2.741 431 H HA 0.318 4.874 4.556 0.001 0.000 0.282 431 H C -0.674 174.262 175.328 -0.654 0.000 1.122 431 H CA -0.583 55.177 56.048 -0.480 0.000 1.293 431 H CB 0.829 30.351 29.762 -0.401 0.000 1.415 431 H HN 0.597 nan 8.280 nan 0.000 0.472 432 D N 1.988 122.164 120.400 -0.373 0.000 2.303 432 D HA 0.270 4.910 4.640 0.001 0.000 0.236 432 D C 0.769 176.989 176.300 -0.134 0.000 1.068 432 D CA -0.601 53.287 54.000 -0.187 0.000 0.830 432 D CB 1.209 42.055 40.800 0.076 0.000 1.109 432 D HN 0.721 nan 8.370 nan 0.000 0.496 433 G N 2.032 110.732 108.800 -0.167 0.000 3.969 433 G HA2 0.538 4.498 3.960 0.001 0.000 0.291 433 G HA3 0.538 4.498 3.960 0.001 0.000 0.291 433 G C 0.608 175.449 174.900 -0.099 0.000 1.016 433 G CA 0.092 45.089 45.100 -0.171 0.000 0.819 433 G HN 0.878 nan 8.290 nan 0.000 0.493 434 G N 1.062 109.840 108.800 -0.036 0.000 2.795 434 G HA2 -0.172 3.789 3.960 0.001 0.000 0.664 434 G HA3 -0.172 3.789 3.960 0.001 0.000 0.664 434 G C 0.721 175.585 174.900 -0.061 0.000 1.381 434 G CA 0.020 45.099 45.100 -0.034 0.000 0.853 434 G HN 0.865 nan 8.290 nan 0.000 0.545 435 K N -0.512 119.855 120.400 -0.056 0.000 2.504 435 K HA 0.149 4.470 4.320 0.001 0.000 0.195 435 K C 1.092 177.680 176.600 -0.021 0.000 1.036 435 K CA 1.587 57.840 56.287 -0.057 0.000 0.984 435 K CB 0.253 32.721 32.500 -0.053 0.000 0.788 435 K HN 0.386 nan 8.250 nan 0.000 0.488 436 E N 1.152 121.341 120.200 -0.018 0.000 2.445 436 E HA 0.040 4.390 4.350 0.001 0.000 0.189 436 E C 0.026 176.642 176.600 0.027 0.000 1.069 436 E CA 0.265 56.670 56.400 0.009 0.000 0.871 436 E CB 0.581 30.284 29.700 0.004 0.000 0.991 436 E HN 0.327 nan 8.360 nan 0.000 0.481 437 T N -0.723 113.823 114.554 -0.012 0.000 2.626 437 T HA 0.318 4.669 4.350 0.001 0.000 0.299 437 T C -1.271 173.350 174.700 -0.132 0.000 1.181 437 T CA -0.945 61.126 62.100 -0.049 0.000 1.053 437 T CB 0.498 69.241 68.868 -0.208 0.000 1.566 437 T HN 0.220 nan 8.240 nan 0.000 0.486 438 W N 1.619 122.659 121.300 -0.434 0.000 2.161 438 W HA 0.521 5.182 4.660 0.001 0.000 0.344 438 W C -0.485 175.906 176.519 -0.213 0.000 1.262 438 W CA -0.433 56.609 57.345 -0.505 0.000 1.270 438 W CB -0.219 28.627 29.460 -1.025 0.000 1.126 438 W HN 0.637 nan 8.180 nan 0.000 0.598 439 H N 1.370 120.447 119.070 0.013 0.000 3.177 439 H HA 0.308 4.864 4.556 0.001 0.000 0.314 439 H C -1.312 174.056 175.328 0.068 0.000 1.059 439 H CA 0.077 56.073 56.048 -0.087 0.000 1.515 439 H CB 1.648 31.330 29.762 -0.132 0.000 1.672 439 H HN 0.494 nan 8.280 nan 0.000 0.514 440 S N 2.666 118.341 115.700 -0.041 0.000 2.851 440 S HA 0.913 5.383 4.470 0.001 0.000 0.313 440 S C -1.382 173.210 174.600 -0.014 0.000 1.163 440 S CA -0.031 58.205 58.200 0.060 0.000 0.850 440 S CB 1.826 65.136 63.200 0.182 0.000 1.245 440 S HN 0.753 nan 8.310 nan 0.000 0.558 441 A N 0.248 123.149 122.820 0.136 0.000 2.515 441 A HA 0.898 5.218 4.320 0.001 0.000 0.298 441 A C -0.338 177.350 177.584 0.174 0.000 1.059 441 A CA -0.197 51.806 52.037 -0.055 0.000 0.698 441 A CB 1.127 20.071 19.000 -0.094 0.000 1.289 441 A HN 1.244 nan 8.150 nan 0.000 0.404 442 A N 0.209 123.055 122.820 0.043 0.000 2.239 442 A HA 0.871 5.191 4.320 0.001 0.000 0.303 442 A C 0.089 177.769 177.584 0.160 0.000 1.114 442 A CA -0.333 51.815 52.037 0.184 0.000 0.871 442 A CB 0.583 19.685 19.000 0.170 0.000 1.201 442 A HN 0.964 nan 8.150 nan 0.000 0.506 443 T N 0.663 115.322 114.554 0.175 0.000 2.949 443 T HA 0.584 4.934 4.350 0.001 0.000 0.300 443 T C -0.443 174.330 174.700 0.121 0.000 0.988 443 T CA 0.172 62.385 62.100 0.188 0.000 0.993 443 T CB 1.127 70.116 68.868 0.202 0.000 0.984 443 T HN 1.092 nan 8.240 nan 0.000 0.442 444 A N 3.749 126.654 122.820 0.142 0.000 2.309 444 A HA 0.822 5.142 4.320 0.001 0.000 0.298 444 A C -0.452 177.225 177.584 0.156 0.000 1.165 444 A CA -0.499 51.621 52.037 0.137 0.000 0.821 444 A CB 0.054 19.179 19.000 0.208 0.000 1.102 444 A HN 0.788 nan 8.150 nan 0.000 0.500 445 I N 2.308 122.930 120.570 0.088 0.000 2.410 445 I HA 0.314 4.485 4.170 0.001 0.000 0.286 445 I C -1.097 174.999 176.117 -0.035 0.000 1.009 445 I CA 0.048 61.423 61.300 0.125 0.000 1.111 445 I CB 1.183 39.282 38.000 0.164 0.000 1.262 445 I HN 0.609 nan 8.210 nan 0.000 0.443 446 Y N 4.432 124.747 120.300 0.027 0.000 2.360 446 Y HA 0.631 5.182 4.550 0.001 0.000 0.337 446 Y C 0.078 175.819 175.900 -0.265 0.000 1.039 446 Y CA -0.394 57.696 58.100 -0.017 0.000 1.109 446 Y CB 1.641 40.182 38.460 0.135 0.000 1.201 446 Y HN 0.473 nan 8.280 nan 0.000 0.458 447 c N 3.082 121.455 118.600 -0.378 0.000 2.802 447 c HA 0.386 4.957 4.570 0.001 0.000 0.307 447 c C -0.437 172.996 174.090 -1.095 0.000 1.222 447 c CA -1.233 54.597 56.329 -0.832 0.000 1.580 447 c CB 1.628 43.842 42.510 -0.492 0.000 2.119 447 c HN 0.739 nan 8.230 nan 0.000 0.479 448 L N 4.303 124.640 121.223 -1.477 0.000 2.597 448 L HA 0.360 4.701 4.340 0.001 0.000 0.271 448 L C -0.007 176.623 176.870 -0.399 0.000 1.157 448 L CA 1.295 55.624 54.840 -0.851 0.000 0.928 448 L CB -0.289 41.430 42.059 -0.568 0.000 1.216 448 L HN 0.754 nan 8.230 nan 0.000 0.481 449 M N 4.599 124.060 119.600 -0.231 0.000 2.255 449 M HA 0.695 5.175 4.480 0.001 0.000 0.275 449 M C 0.123 176.394 176.300 -0.048 0.000 1.050 449 M CA -0.136 55.089 55.300 -0.124 0.000 0.978 449 M CB 1.336 33.861 32.600 -0.126 0.000 1.761 449 M HN 0.715 nan 8.290 nan 0.000 0.479 450 G N 2.142 110.929 108.800 -0.021 0.000 2.698 450 G HA2 -0.161 3.799 3.960 0.001 0.000 0.233 450 G HA3 -0.161 3.799 3.960 0.001 0.000 0.233 450 G C -0.847 174.077 174.900 0.040 0.000 1.352 450 G CA -0.030 45.075 45.100 0.008 0.000 0.879 450 G HN 1.101 nan 8.290 nan 0.000 0.567 451 S N -0.875 114.851 115.700 0.043 0.000 2.718 451 S HA 0.906 5.377 4.470 0.001 0.000 0.300 451 S C 0.888 175.528 174.600 0.066 0.000 1.117 451 S CA 1.337 59.575 58.200 0.063 0.000 1.002 451 S CB 1.066 64.293 63.200 0.045 0.000 1.092 451 S HN 2.821 nan 8.310 nan 0.000 0.542 452 G N 0.049 108.896 108.800 0.078 0.000 2.418 452 G HA2 0.289 4.250 3.960 0.001 0.000 0.206 452 G HA3 0.289 4.250 3.960 0.001 0.000 0.206 452 G C -0.504 174.452 174.900 0.094 0.000 1.202 452 G CA 0.172 45.314 45.100 0.070 0.000 1.061 452 G HN 1.333 nan 8.290 nan 0.000 0.563 453 Q N -1.057 118.793 119.800 0.083 0.000 2.337 453 Q HA 0.835 5.176 4.340 0.001 0.000 0.266 453 Q C 0.248 176.314 176.000 0.110 0.000 1.023 453 Q CA -0.204 55.657 55.803 0.097 0.000 0.829 453 Q CB 1.709 30.491 28.738 0.073 0.000 1.306 453 Q HN 1.995 nan 8.270 nan 0.000 0.449 454 L N 2.403 123.707 121.223 0.136 0.000 2.667 454 L HA -0.060 4.280 4.340 0.001 0.000 0.278 454 L C 0.142 177.108 176.870 0.159 0.000 1.217 454 L CA 0.078 55.015 54.840 0.163 0.000 0.935 454 L CB 0.452 42.605 42.059 0.155 0.000 1.193 454 L HN 0.846 nan 8.230 nan 0.000 0.493 455 L N 5.527 126.863 121.223 0.190 0.000 2.362 455 L HA 0.227 4.567 4.340 0.001 0.000 0.204 455 L C -0.059 177.007 176.870 0.326 0.000 1.060 455 L CA 0.872 55.815 54.840 0.172 0.000 0.827 455 L CB -0.484 41.616 42.059 0.068 0.000 1.027 455 L HN 0.603 nan 8.230 nan 0.000 0.474 456 W N 1.098 122.481 121.300 0.139 0.000 2.936 456 W HA 0.333 4.994 4.660 0.001 0.000 0.338 456 W C -0.355 176.300 176.519 0.227 0.000 1.121 456 W CA -1.735 55.690 57.345 0.135 0.000 1.209 456 W CB 1.139 30.649 29.460 0.083 0.000 1.420 456 W HN 0.071 nan 8.180 nan 0.000 0.516 457 D N 0.907 121.391 120.400 0.139 0.000 2.432 457 D HA 0.454 5.095 4.640 0.001 0.000 0.258 457 D C -0.712 175.580 176.300 -0.014 0.000 1.146 457 D CA -0.198 53.860 54.000 0.096 0.000 1.015 457 D CB 1.425 42.221 40.800 -0.006 0.000 1.107 457 D HN 0.086 nan 8.370 nan 0.000 0.529 458 T N -0.232 114.372 114.554 0.084 0.000 2.829 458 T HA 0.501 4.852 4.350 0.001 0.000 0.280 458 T C -0.126 174.564 174.700 -0.017 0.000 0.999 458 T CA -0.750 61.366 62.100 0.026 0.000 0.983 458 T CB 1.408 70.370 68.868 0.157 0.000 0.968 458 T HN 0.478 nan 8.240 nan 0.000 0.446 459 V N 0.525 120.401 119.914 -0.063 0.000 2.864 459 V HA 0.704 4.824 4.120 0.001 0.000 0.314 459 V C 1.151 177.242 176.094 -0.005 0.000 1.073 459 V CA -0.527 61.750 62.300 -0.038 0.000 0.956 459 V CB 1.392 33.171 31.823 -0.074 0.000 1.023 459 V HN 0.933 nan 8.190 nan 0.000 0.435 460 T N -1.086 113.488 114.554 0.034 0.000 3.023 460 T HA 0.233 4.583 4.350 0.001 0.000 0.266 460 T C 1.720 176.449 174.700 0.048 0.000 1.093 460 T CA 1.522 63.673 62.100 0.086 0.000 1.129 460 T CB -0.282 68.722 68.868 0.228 0.000 0.899 460 T HN 2.530 nan 8.240 nan 0.000 0.491 461 G N 0.671 109.482 108.800 0.018 0.000 2.220 461 G HA2 -0.257 3.704 3.960 0.001 0.000 0.269 461 G HA3 -0.257 3.704 3.960 0.001 0.000 0.269 461 G C 0.157 175.055 174.900 -0.003 0.000 0.977 461 G CA 0.235 45.329 45.100 -0.010 0.000 0.634 461 G HN 0.781 nan 8.290 nan 0.000 0.539 462 V N 1.533 121.468 119.914 0.036 0.000 2.498 462 V HA 0.508 4.628 4.120 0.001 0.000 0.279 462 V C 0.101 176.214 176.094 0.032 0.000 1.048 462 V CA -0.231 62.078 62.300 0.015 0.000 0.967 462 V CB 1.757 33.553 31.823 -0.045 0.000 0.988 462 V HN 0.376 nan 8.190 nan 0.000 0.473 463 D N 4.412 124.826 120.400 0.025 0.000 2.280 463 D HA 0.342 4.982 4.640 0.001 0.000 0.236 463 D C 0.622 176.955 176.300 0.055 0.000 1.082 463 D CA -0.450 53.566 54.000 0.027 0.000 0.834 463 D CB 1.649 42.462 40.800 0.022 0.000 1.100 463 D HN 0.462 nan 8.370 nan 0.000 0.486 464 M N 2.616 122.221 119.600 0.008 0.000 2.619 464 M HA 0.064 4.544 4.480 0.001 0.000 0.251 464 M C 1.583 177.909 176.300 0.043 0.000 1.106 464 M CA 0.229 55.518 55.300 -0.017 0.000 1.086 464 M CB 0.262 32.659 32.600 -0.340 0.000 1.465 464 M HN 0.490 nan 8.290 nan 0.000 0.506 465 A N 0.476 123.320 122.820 0.040 0.000 2.169 465 A HA 0.197 4.517 4.320 0.001 0.000 0.212 465 A C 1.152 178.794 177.584 0.097 0.000 1.153 465 A CA 0.296 52.367 52.037 0.057 0.000 0.756 465 A CB -0.166 18.851 19.000 0.028 0.000 0.813 465 A HN 0.342 nan 8.150 nan 0.000 0.471 466 L N 0.000 121.289 121.223 0.111 0.000 2.949 466 L HA 0.000 4.341 4.340 0.001 0.000 0.249 466 L CA 0.000 54.897 54.840 0.095 0.000 0.813 466 L CB 0.000 42.098 42.059 0.065 0.000 0.961 466 L HN 0.000 nan 8.230 nan 0.000 0.502