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 1gwv_1_B DATA FIRST_RESID 82 DATA SEQUENCE KLKLSDWFNP FKRPEVVTMT KWKAPVVWEG TYNRAVLDNY YAKQKITVGL DATA SEQUENCE TVFAVGRYIE HYLEEFLTSA NKHFMVGHPV IFYIMVDDVS RMPLIELGPL DATA SEQUENCE RSFKVFKIKP EKRWQDISMM RMKTIGEHIV AHIQHEVDFL FCMDVDQVFQ DATA SEQUENCE DKFGVETLGE SVAQLQAWWY KADPNDFTYE RRKESAAYIP FGEGDFYYHA DATA SEQUENCE AIFGGTPTQV LNITQECFKG ILKDKKNDIE AQWHDESHLN KYFLLNKPTK DATA SEQUENCE ILSPEYCWDY HIGLPADIKL VKMSWQTKEY NVVRNNV 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 82 K HA 0.000 nan 4.320 nan 0.000 0.191 82 K C 0.000 176.604 176.600 0.007 0.000 0.988 82 K CA 0.000 56.359 56.287 0.119 0.000 0.838 82 K CB 0.000 32.550 32.500 0.084 0.000 1.064 83 L N 1.617 122.778 121.223 -0.104 0.000 2.349 83 L HA 0.518 5.829 4.340 1.619 0.000 0.275 83 L C -0.264 176.573 176.870 -0.055 0.000 1.115 83 L CA 0.257 54.916 54.840 -0.301 0.000 0.820 83 L CB 0.895 42.582 42.059 -0.619 0.000 1.135 83 L HN 0.656 nan 8.230 nan 0.000 0.445 84 K N 4.276 124.667 120.400 -0.014 0.000 2.221 84 K HA 0.223 5.514 4.320 1.619 0.000 0.258 84 K C 0.726 177.382 176.600 0.092 0.000 0.944 84 K CA -0.777 55.536 56.287 0.044 0.000 0.823 84 K CB 1.258 33.771 32.500 0.021 0.000 1.113 84 K HN 0.704 nan 8.250 nan 0.000 0.431 85 L N 3.021 124.288 121.223 0.073 0.000 2.127 85 L HA -0.142 5.170 4.340 1.619 0.000 0.211 85 L C 1.624 178.331 176.870 -0.272 0.000 1.089 85 L CA 2.567 57.379 54.840 -0.046 0.000 0.757 85 L CB -0.684 41.362 42.059 -0.022 0.000 0.899 85 L HN 0.844 nan 8.230 nan 0.000 0.434 86 S N -2.262 113.375 115.700 -0.104 0.000 2.562 86 S HA -0.080 5.361 4.470 1.619 0.000 0.221 86 S C 1.311 175.867 174.600 -0.073 0.000 0.975 86 S CA 0.341 58.483 58.200 -0.096 0.000 0.918 86 S CB -0.231 62.953 63.200 -0.026 0.000 0.772 86 S HN 0.409 nan 8.310 nan 0.000 0.531 87 D N 1.378 121.765 120.400 -0.022 0.000 2.224 87 D HA -0.019 5.593 4.640 1.619 0.000 0.205 87 D C 1.498 177.890 176.300 0.153 0.000 0.965 87 D CA 1.135 55.174 54.000 0.064 0.000 0.852 87 D CB -0.092 40.759 40.800 0.084 0.000 0.947 87 D HN 0.873 nan 8.370 nan 0.000 0.494 88 W N -1.346 119.996 121.300 0.070 0.000 2.413 88 W HA 0.278 5.900 4.660 1.603 0.000 0.288 88 W C -0.540 176.115 176.519 0.227 0.000 0.958 88 W CA -0.493 56.926 57.345 0.123 0.000 1.333 88 W CB -0.145 29.380 29.460 0.108 0.000 1.002 88 W HN -0.280 nan 8.180 nan 0.000 0.562 89 F N 4.507 123.869 119.950 -0.981 0.000 2.402 89 F HA 0.487 5.981 4.527 1.613 0.000 0.355 89 F C -0.669 174.892 175.800 -0.398 0.000 1.123 89 F CA -1.314 56.137 58.000 -0.914 0.000 1.021 89 F CB 0.842 38.933 39.000 -1.514 0.000 1.160 89 F HN -0.253 nan 8.300 nan 0.000 0.451 90 N N 8.340 126.572 118.700 -0.780 0.000 2.626 90 N HA 0.343 6.054 4.740 1.619 0.000 0.242 90 N C -2.139 172.848 175.510 -0.872 0.000 1.005 90 N CA -2.438 50.271 53.050 -0.568 0.000 0.905 90 N CB 1.804 40.162 38.487 -0.215 0.000 1.128 90 N HN 0.282 nan 8.380 nan 0.000 0.512 91 P HA -0.039 nan 4.420 nan 0.000 0.226 91 P C 0.765 177.611 177.300 -0.756 0.000 1.153 91 P CA 0.743 63.241 63.100 -1.002 0.000 0.777 91 P CB -0.015 31.157 31.700 -0.880 0.000 0.794 92 F N 0.357 120.138 119.950 -0.281 0.000 2.748 92 F HA 0.067 5.569 4.527 1.625 0.000 0.299 92 F C 2.101 177.795 175.800 -0.177 0.000 1.154 92 F CA 0.559 58.444 58.000 -0.191 0.000 1.446 92 F CB -0.585 38.323 39.000 -0.154 0.000 1.112 92 F HN -0.190 nan 8.300 nan 0.000 0.584 93 K N 0.193 120.528 120.400 -0.109 0.000 2.418 93 K HA 0.108 5.399 4.320 1.619 0.000 0.195 93 K C 0.452 176.974 176.600 -0.130 0.000 1.035 93 K CA 0.485 56.711 56.287 -0.103 0.000 1.003 93 K CB 0.152 32.577 32.500 -0.125 0.000 0.793 93 K HN 0.070 nan 8.250 nan 0.000 0.494 94 R N 0.833 121.221 120.500 -0.188 0.000 2.629 94 R HA 0.165 5.477 4.340 1.619 0.000 0.277 94 R C -2.073 174.066 176.300 -0.269 0.000 1.637 94 R CA -1.619 54.338 56.100 -0.237 0.000 1.663 94 R CB 0.747 30.872 30.300 -0.292 0.000 1.228 94 R HN -0.039 nan 8.270 nan 0.000 0.632 95 P HA -0.155 nan 4.420 nan 0.000 0.219 95 P C 0.834 178.035 177.300 -0.166 0.000 1.150 95 P CA 1.031 64.039 63.100 -0.152 0.000 0.814 95 P CB 0.450 32.102 31.700 -0.080 0.000 0.787 96 E N 1.207 121.292 120.200 -0.192 0.000 2.511 96 E HA 0.008 5.330 4.350 1.619 0.000 0.196 96 E C 0.693 177.154 176.600 -0.232 0.000 1.066 96 E CA 0.296 56.590 56.400 -0.177 0.000 0.871 96 E CB -0.668 28.941 29.700 -0.153 0.000 0.863 96 E HN 0.192 nan 8.360 nan 0.000 0.520 97 V N -2.765 116.928 119.914 -0.370 0.000 3.141 97 V HA 0.491 5.583 4.120 1.619 0.000 0.312 97 V C 0.150 176.095 176.094 -0.248 0.000 1.157 97 V CA -1.324 60.717 62.300 -0.431 0.000 1.041 97 V CB 1.770 32.853 31.823 -1.232 0.000 1.071 97 V HN -0.170 nan 8.190 nan 0.000 0.441 98 V N 2.473 122.394 119.914 0.011 0.000 2.421 98 V HA 0.203 5.295 4.120 1.619 0.000 0.271 98 V C 1.621 177.842 176.094 0.211 0.000 1.031 98 V CA 1.050 63.445 62.300 0.159 0.000 1.032 98 V CB 0.144 32.183 31.823 0.359 0.000 1.009 98 V HN 1.214 nan 8.190 nan 0.000 0.477 99 T N 1.686 116.299 114.554 0.098 0.000 3.014 99 T HA 0.351 5.673 4.350 1.619 0.000 0.250 99 T C 0.488 175.314 174.700 0.210 0.000 1.060 99 T CA -0.023 62.203 62.100 0.210 0.000 1.040 99 T CB 0.411 69.304 68.868 0.042 0.000 0.971 99 T HN 0.318 nan 8.240 nan 0.000 0.497 100 M N 2.432 122.077 119.600 0.075 0.000 2.550 100 M HA 0.455 5.906 4.480 1.619 0.000 0.292 100 M C -0.440 175.807 176.300 -0.089 0.000 1.221 100 M CA -0.464 54.826 55.300 -0.018 0.000 0.873 100 M CB 2.346 34.934 32.600 -0.021 0.000 1.727 100 M HN 0.310 nan 8.290 nan 0.000 0.459 101 T N -1.878 112.498 114.554 -0.297 0.000 2.923 101 T HA 0.495 5.817 4.350 1.619 0.000 0.281 101 T C 0.892 175.365 174.700 -0.377 0.000 0.995 101 T CA -0.777 61.028 62.100 -0.492 0.000 0.985 101 T CB 1.669 69.653 68.868 -1.474 0.000 1.114 101 T HN 0.650 nan 8.240 nan 0.000 0.548 102 K N -0.273 119.988 120.400 -0.232 0.000 2.209 102 K HA -0.054 5.237 4.320 1.619 0.000 0.204 102 K C 1.296 177.977 176.600 0.134 0.000 1.048 102 K CA 1.543 57.853 56.287 0.039 0.000 0.940 102 K CB -0.185 32.436 32.500 0.201 0.000 0.729 102 K HN 0.872 nan 8.250 nan 0.000 0.451 103 W N 0.697 122.064 121.300 0.113 0.000 3.400 103 W HA 0.282 5.909 4.660 1.612 0.000 0.347 103 W C -0.428 176.137 176.519 0.078 0.000 1.218 103 W CA -0.664 56.734 57.345 0.089 0.000 1.837 103 W CB 0.307 29.821 29.460 0.091 0.000 1.067 103 W HN -0.202 nan 8.180 nan 0.000 0.701 104 K N -0.434 119.931 120.400 -0.058 0.000 3.230 104 K HA -0.204 5.088 4.320 1.619 0.000 0.285 104 K C 0.068 176.619 176.600 -0.081 0.000 1.196 104 K CA 1.217 57.479 56.287 -0.041 0.000 0.838 104 K CB -1.936 30.599 32.500 0.058 0.000 1.262 104 K HN 0.523 nan 8.250 nan 0.000 0.492 105 A N 1.314 123.968 122.820 -0.277 0.000 2.312 105 A HA 0.700 5.992 4.320 1.619 0.000 0.328 105 A C -2.219 175.215 177.584 -0.249 0.000 1.158 105 A CA -1.285 50.643 52.037 -0.181 0.000 0.821 105 A CB 0.987 19.947 19.000 -0.067 0.000 1.170 105 A HN -0.033 nan 8.150 nan 0.000 0.490 106 P HA 0.367 nan 4.420 nan 0.000 0.286 106 P C -0.935 176.178 177.300 -0.312 0.000 1.261 106 P CA -0.248 62.542 63.100 -0.516 0.000 0.821 106 P CB 1.501 32.496 31.700 -1.175 0.000 1.013 107 V N 3.948 123.788 119.914 -0.124 0.000 2.313 107 V HA 0.111 5.203 4.120 1.619 0.000 0.278 107 V C 0.503 176.709 176.094 0.186 0.000 1.017 107 V CA -0.782 61.521 62.300 0.005 0.000 0.823 107 V CB 1.513 33.438 31.823 0.169 0.000 1.010 107 V HN 0.271 nan 8.190 nan 0.000 0.443 108 V N 5.198 125.132 119.914 0.034 0.000 2.415 108 V HA 0.207 5.299 4.120 1.619 0.000 0.267 108 V C -0.366 175.883 176.094 0.259 0.000 1.042 108 V CA -0.135 62.318 62.300 0.255 0.000 1.000 108 V CB -0.223 31.659 31.823 0.099 0.000 1.015 108 V HN 0.825 nan 8.190 nan 0.000 0.478 109 W N 2.125 123.650 121.300 0.376 0.000 2.706 109 W HA 0.566 6.288 4.660 1.771 0.000 0.346 109 W C 0.281 176.955 176.519 0.258 0.000 1.071 109 W CA -1.078 56.421 57.345 0.257 0.000 1.206 109 W CB 0.913 30.436 29.460 0.104 0.000 1.413 109 W HN 0.465 nan 8.180 nan 0.000 0.542 110 E N 0.828 121.259 120.200 0.385 0.000 2.529 110 E HA 0.303 5.624 4.350 1.619 0.000 0.259 110 E C 1.124 177.730 176.600 0.010 0.000 0.966 110 E CA 2.029 58.529 56.400 0.166 0.000 0.937 110 E CB 0.268 30.010 29.700 0.070 0.000 0.923 110 E HN 0.684 nan 8.360 nan 0.000 0.468 111 G N 2.923 111.570 108.800 -0.254 0.000 2.258 111 G HA2 -0.338 4.594 3.960 1.619 0.000 0.233 111 G HA3 -0.338 4.594 3.960 1.619 0.000 0.233 111 G C 1.010 175.797 174.900 -0.188 0.000 1.006 111 G CA 0.844 45.819 45.100 -0.209 0.000 0.620 111 G HN 0.873 nan 8.290 nan 0.000 0.511 112 T N -1.468 113.035 114.554 -0.085 0.000 3.067 112 T HA 0.439 5.760 4.350 1.619 0.000 0.257 112 T C 0.900 175.649 174.700 0.081 0.000 1.105 112 T CA 1.133 63.186 62.100 -0.078 0.000 1.104 112 T CB -0.097 68.783 68.868 0.020 0.000 0.925 112 T HN 1.330 nan 8.240 nan 0.000 0.498 113 Y N 0.286 120.760 120.300 0.291 0.000 2.387 113 Y HA 0.719 6.240 4.550 1.617 0.000 0.336 113 Y C -0.404 175.682 175.900 0.309 0.000 1.067 113 Y CA -2.601 55.775 58.100 0.460 0.000 1.114 113 Y CB 0.796 39.607 38.460 0.584 0.000 1.208 113 Y HN -0.156 nan 8.280 nan 0.000 0.458 114 N N 3.841 122.870 118.700 0.547 0.000 2.699 114 N HA 0.153 5.864 4.740 1.619 0.000 0.232 114 N C 0.691 176.442 175.510 0.402 0.000 1.027 114 N CA -0.212 53.053 53.050 0.358 0.000 0.920 114 N CB 0.495 39.144 38.487 0.269 0.000 1.148 114 N HN 0.999 nan 8.380 nan 0.000 0.509 115 R N 2.470 123.232 120.500 0.437 0.000 2.120 115 R HA -0.064 5.248 4.340 1.619 0.000 0.234 115 R C 1.631 178.054 176.300 0.205 0.000 1.123 115 R CA 1.551 57.828 56.100 0.296 0.000 0.975 115 R CB 0.094 30.566 30.300 0.286 0.000 0.866 115 R HN 0.544 nan 8.270 nan 0.000 0.446 116 A N 0.154 123.085 122.820 0.185 0.000 1.908 116 A HA -0.119 5.173 4.320 1.619 0.000 0.218 116 A C 2.199 179.867 177.584 0.140 0.000 1.181 116 A CA 1.564 53.686 52.037 0.141 0.000 0.627 116 A CB -0.495 18.572 19.000 0.113 0.000 0.818 116 A HN 0.221 nan 8.150 nan 0.000 0.445 117 V N 0.052 120.059 119.914 0.154 0.000 2.358 117 V HA -0.229 4.862 4.120 1.619 0.000 0.246 117 V C 2.539 178.710 176.094 0.128 0.000 1.047 117 V CA 1.897 64.281 62.300 0.139 0.000 1.035 117 V CB -0.644 31.274 31.823 0.159 0.000 0.658 117 V HN 0.570 nan 8.190 nan 0.000 0.452 118 L N -0.658 120.639 121.223 0.124 0.000 2.109 118 L HA -0.122 5.190 4.340 1.619 0.000 0.207 118 L C 2.377 179.379 176.870 0.220 0.000 1.086 118 L CA 1.347 56.229 54.840 0.071 0.000 0.760 118 L CB -0.747 41.313 42.059 0.002 0.000 0.910 118 L HN 0.313 nan 8.230 nan 0.000 0.437 119 D N 0.171 120.721 120.400 0.249 0.000 2.123 119 D HA -0.206 5.406 4.640 1.619 0.000 0.196 119 D C 1.880 178.344 176.300 0.274 0.000 0.992 119 D CA 1.419 55.622 54.000 0.338 0.000 0.833 119 D CB -0.097 40.831 40.800 0.213 0.000 0.954 119 D HN 0.275 nan 8.370 nan 0.000 0.455 120 N N -0.328 118.479 118.700 0.178 0.000 2.109 120 N HA -0.201 5.510 4.740 1.619 0.000 0.188 120 N C 1.863 177.453 175.510 0.133 0.000 1.034 120 N CA 0.914 54.043 53.050 0.132 0.000 0.846 120 N CB -0.472 38.079 38.487 0.106 0.000 1.010 120 N HN 0.142 nan 8.380 nan 0.000 0.425 121 Y N -0.015 120.277 120.300 -0.015 0.000 2.151 121 Y HA -0.271 5.249 4.550 1.617 0.000 0.284 121 Y C 1.676 177.522 175.900 -0.089 0.000 1.166 121 Y CA 1.888 59.923 58.100 -0.109 0.000 1.163 121 Y CB -0.688 37.611 38.460 -0.268 0.000 0.974 121 Y HN 0.258 nan 8.280 nan 0.000 0.511 122 Y N -0.803 119.514 120.300 0.028 0.000 2.314 122 Y HA -0.077 5.444 4.550 1.618 0.000 0.293 122 Y C 2.617 178.530 175.900 0.021 0.000 1.129 122 Y CA 0.422 58.481 58.100 -0.069 0.000 1.201 122 Y CB -0.379 38.050 38.460 -0.052 0.000 0.999 122 Y HN 0.249 nan 8.280 nan 0.000 0.541 123 A N 0.603 123.588 122.820 0.275 0.000 1.902 123 A HA -0.198 5.094 4.320 1.619 0.000 0.217 123 A C 2.048 179.671 177.584 0.065 0.000 1.181 123 A CA 1.644 53.784 52.037 0.172 0.000 0.623 123 A CB -0.406 18.647 19.000 0.088 0.000 0.818 123 A HN 0.364 nan 8.150 nan 0.000 0.443 124 K N -0.741 119.667 120.400 0.013 0.000 2.148 124 K HA -0.153 5.138 4.320 1.619 0.000 0.204 124 K C 2.124 178.694 176.600 -0.050 0.000 1.050 124 K CA 1.421 57.695 56.287 -0.023 0.000 0.942 124 K CB -0.096 32.382 32.500 -0.037 0.000 0.724 124 K HN 0.634 nan 8.250 nan 0.000 0.446 125 Q N 1.429 121.172 119.800 -0.096 0.000 2.451 125 Q HA -0.029 5.282 4.340 1.619 0.000 0.206 125 Q C -0.818 175.183 176.000 0.002 0.000 0.947 125 Q CA 0.224 55.974 55.803 -0.088 0.000 0.937 125 Q CB 0.142 28.769 28.738 -0.185 0.000 1.025 125 Q HN 0.030 nan 8.270 nan 0.000 0.511 126 K N 1.241 121.662 120.400 0.035 0.000 4.856 126 K HA -0.193 5.098 4.320 1.619 0.000 0.306 126 K C -0.407 176.227 176.600 0.056 0.000 0.895 126 K CA 0.584 56.902 56.287 0.051 0.000 0.963 126 K CB -1.972 30.543 32.500 0.025 0.000 1.737 126 K HN 0.464 nan 8.250 nan 0.000 0.424 127 I N -2.423 118.197 120.570 0.083 0.000 2.793 127 I HA 0.563 5.704 4.170 1.619 0.000 0.313 127 I C 0.046 176.184 176.117 0.035 0.000 0.998 127 I CA -0.640 60.690 61.300 0.050 0.000 1.140 127 I CB 2.202 40.224 38.000 0.037 0.000 1.327 127 I HN 0.014 nan 8.210 nan 0.000 0.491 128 T N 3.043 117.611 114.554 0.023 0.000 2.886 128 T HA 0.550 5.871 4.350 1.619 0.000 0.292 128 T C -0.661 174.066 174.700 0.044 0.000 1.012 128 T CA -0.450 61.663 62.100 0.022 0.000 0.982 128 T CB 1.945 70.828 68.868 0.025 0.000 1.018 128 T HN 0.442 nan 8.240 nan 0.000 0.451 129 V N 2.400 122.337 119.914 0.039 0.000 2.417 129 V HA 0.773 5.864 4.120 1.619 0.000 0.291 129 V C 0.731 176.934 176.094 0.181 0.000 1.024 129 V CA -0.683 61.690 62.300 0.123 0.000 0.861 129 V CB 1.652 33.506 31.823 0.051 0.000 0.985 129 V HN 1.033 nan 8.190 nan 0.000 0.436 130 G N 3.199 112.154 108.800 0.259 0.000 2.434 130 G HA2 0.687 5.619 3.960 1.619 0.000 0.330 130 G HA3 0.687 5.619 3.960 1.619 0.000 0.330 130 G C -1.460 173.666 174.900 0.376 0.000 1.155 130 G CA -0.512 44.757 45.100 0.281 0.000 0.917 130 G HN 0.632 nan 8.290 nan 0.000 0.493 131 L N 1.138 122.546 121.223 0.310 0.000 2.596 131 L HA 0.502 5.814 4.340 1.619 0.000 0.265 131 L C 0.326 177.380 176.870 0.307 0.000 0.962 131 L CA -0.483 54.523 54.840 0.276 0.000 0.891 131 L CB 1.541 43.660 42.059 0.099 0.000 1.248 131 L HN 0.760 nan 8.230 nan 0.000 0.410 132 T N 1.508 116.203 114.554 0.235 0.000 2.922 132 T HA 0.778 6.099 4.350 1.619 0.000 0.285 132 T C -0.424 174.289 174.700 0.022 0.000 1.005 132 T CA -0.684 61.499 62.100 0.139 0.000 1.061 132 T CB 1.824 70.716 68.868 0.040 0.000 1.007 132 T HN 0.833 nan 8.240 nan 0.000 0.502 133 V N 2.572 122.431 119.914 -0.091 0.000 2.882 133 V HA 0.563 5.654 4.120 1.619 0.000 0.295 133 V C -2.024 173.945 176.094 -0.209 0.000 1.273 133 V CA -1.045 61.156 62.300 -0.165 0.000 0.949 133 V CB 1.448 33.049 31.823 -0.371 0.000 1.071 133 V HN 0.897 nan 8.190 nan 0.000 0.432 134 F N 4.576 124.423 119.950 -0.171 0.000 2.425 134 F HA 0.891 6.387 4.527 1.615 0.000 0.331 134 F C 0.595 176.336 175.800 -0.099 0.000 1.085 134 F CA -0.100 57.829 58.000 -0.119 0.000 1.028 134 F CB 2.263 41.192 39.000 -0.118 0.000 1.177 134 F HN 0.716 nan 8.300 nan 0.000 0.487 135 A N 2.648 125.533 122.820 0.107 0.000 2.679 135 A HA 0.664 5.955 4.320 1.619 0.000 0.288 135 A C -1.712 175.923 177.584 0.084 0.000 1.160 135 A CA -0.491 51.610 52.037 0.107 0.000 0.763 135 A CB 0.335 19.388 19.000 0.088 0.000 1.270 135 A HN 0.483 nan 8.150 nan 0.000 0.417 136 V N 2.202 122.141 119.914 0.043 0.000 2.513 136 V HA 0.820 5.911 4.120 1.619 0.000 0.299 136 V C 1.124 177.240 176.094 0.036 0.000 1.035 136 V CA 0.834 63.148 62.300 0.023 0.000 0.889 136 V CB 0.834 32.648 31.823 -0.015 0.000 0.988 136 V HN 2.153 nan 8.190 nan 0.000 0.440 137 G N 5.137 113.974 108.800 0.061 0.000 2.528 137 G HA2 -0.227 4.705 3.960 1.619 0.000 0.262 137 G HA3 -0.227 4.705 3.960 1.619 0.000 0.262 137 G C 0.706 175.677 174.900 0.119 0.000 1.200 137 G CA 0.282 45.434 45.100 0.086 0.000 0.951 137 G HN 0.572 nan 8.290 nan 0.000 0.566 138 R N -0.389 120.185 120.500 0.125 0.000 2.241 138 R HA -0.001 5.310 4.340 1.619 0.000 0.224 138 R C 2.302 178.622 176.300 0.033 0.000 1.101 138 R CA 1.867 57.995 56.100 0.047 0.000 0.995 138 R CB -0.873 29.383 30.300 -0.074 0.000 0.870 138 R HN 0.695 nan 8.270 nan 0.000 0.463 139 Y N 0.411 120.676 120.300 -0.058 0.000 2.384 139 Y HA -0.162 5.358 4.550 1.616 0.000 0.289 139 Y C 2.235 178.156 175.900 0.036 0.000 1.152 139 Y CA 0.577 58.686 58.100 0.014 0.000 1.258 139 Y CB -0.238 38.302 38.460 0.133 0.000 0.979 139 Y HN -0.021 nan 8.280 nan 0.000 0.549 140 I N -0.143 120.532 120.570 0.175 0.000 2.110 140 I HA -0.272 4.870 4.170 1.619 0.000 0.236 140 I C 2.015 178.172 176.117 0.067 0.000 1.068 140 I CA 1.436 62.802 61.300 0.109 0.000 1.333 140 I CB -0.329 37.715 38.000 0.073 0.000 1.054 140 I HN 0.100 nan 8.210 nan 0.000 0.402 141 E N -0.006 120.223 120.200 0.049 0.000 2.110 141 E HA -0.200 5.121 4.350 1.619 0.000 0.193 141 E C 2.113 178.695 176.600 -0.031 0.000 0.988 141 E CA 1.117 57.530 56.400 0.021 0.000 0.804 141 E CB -0.317 29.403 29.700 0.033 0.000 0.745 141 E HN 0.512 nan 8.360 nan 0.000 0.458 142 H N -1.768 117.138 119.070 -0.274 0.000 2.333 142 H HA -0.043 5.483 4.556 1.618 0.000 0.302 142 H C 1.130 176.170 175.328 -0.480 0.000 1.075 142 H CA 1.610 57.319 56.048 -0.565 0.000 1.348 142 H CB 0.217 29.273 29.762 -1.176 0.000 1.393 142 H HN 0.315 nan 8.280 nan 0.000 0.509 143 Y N -1.460 118.931 120.300 0.151 0.000 2.526 143 Y HA 0.002 5.528 4.550 1.628 0.000 0.265 143 Y C 2.150 178.130 175.900 0.133 0.000 1.092 143 Y CA -0.410 57.763 58.100 0.121 0.000 1.277 143 Y CB 0.160 38.681 38.460 0.102 0.000 1.228 143 Y HN -0.034 nan 8.280 nan 0.000 0.507 144 L N 1.648 123.014 121.223 0.239 0.000 2.043 144 L HA -0.254 5.058 4.340 1.619 0.000 0.212 144 L C 2.281 179.254 176.870 0.171 0.000 1.075 144 L CA 2.190 57.137 54.840 0.178 0.000 0.752 144 L CB -0.437 41.678 42.059 0.093 0.000 0.891 144 L HN 0.351 nan 8.230 nan 0.000 0.432 145 E N -1.022 119.253 120.200 0.124 0.000 2.072 145 E HA -0.210 5.112 4.350 1.619 0.000 0.190 145 E C 2.043 178.705 176.600 0.104 0.000 0.982 145 E CA 1.169 57.623 56.400 0.090 0.000 0.803 145 E CB -0.141 29.593 29.700 0.056 0.000 0.755 145 E HN 0.592 nan 8.360 nan 0.000 0.453 146 E N -0.270 120.018 120.200 0.147 0.000 2.077 146 E HA -0.182 5.140 4.350 1.619 0.000 0.193 146 E C 1.865 178.557 176.600 0.154 0.000 0.989 146 E CA 1.032 57.520 56.400 0.147 0.000 0.800 146 E CB -0.220 29.594 29.700 0.190 0.000 0.746 146 E HN 0.316 nan 8.360 nan 0.000 0.452 147 F N 1.592 121.590 119.950 0.080 0.000 2.069 147 F HA -0.206 5.286 4.527 1.608 0.000 0.298 147 F C 2.059 177.851 175.800 -0.014 0.000 1.113 147 F CA 1.378 59.417 58.000 0.064 0.000 1.214 147 F CB -0.230 38.790 39.000 0.033 0.000 0.978 147 F HN -0.089 nan 8.300 nan 0.000 0.474 148 L N -0.580 120.631 121.223 -0.020 0.000 2.046 148 L HA -0.220 5.091 4.340 1.619 0.000 0.208 148 L C 2.362 179.067 176.870 -0.275 0.000 1.077 148 L CA 1.765 56.449 54.840 -0.260 0.000 0.747 148 L CB -1.214 40.800 42.059 -0.074 0.000 0.896 148 L HN 0.167 nan 8.230 nan 0.000 0.432 149 T N -0.586 113.898 114.554 -0.116 0.000 2.684 149 T HA -0.187 5.135 4.350 1.619 0.000 0.267 149 T C 2.120 176.727 174.700 -0.155 0.000 1.036 149 T CA 1.796 63.840 62.100 -0.092 0.000 1.148 149 T CB -0.248 68.603 68.868 -0.027 0.000 0.863 149 T HN 0.549 nan 8.240 nan 0.000 0.436 150 S N 1.758 117.375 115.700 -0.138 0.000 2.406 150 S HA 0.105 5.547 4.470 1.619 0.000 0.228 150 S C 2.414 176.816 174.600 -0.330 0.000 1.020 150 S CA 0.818 58.950 58.200 -0.113 0.000 0.965 150 S CB -0.533 62.748 63.200 0.136 0.000 0.798 150 S HN 0.485 nan 8.310 nan 0.000 0.488 151 A N 2.768 125.233 122.820 -0.591 0.000 1.898 151 A HA -0.094 5.198 4.320 1.619 0.000 0.216 151 A C 2.093 179.413 177.584 -0.440 0.000 1.181 151 A CA 1.749 53.145 52.037 -1.069 0.000 0.620 151 A CB -1.358 16.861 19.000 -1.302 0.000 0.819 151 A HN 0.663 nan 8.150 nan 0.000 0.442 152 N N -0.216 118.320 118.700 -0.274 0.000 2.205 152 N HA -0.209 5.503 4.740 1.619 0.000 0.186 152 N C 1.636 177.103 175.510 -0.072 0.000 1.015 152 N CA 2.070 55.129 53.050 0.014 0.000 0.862 152 N CB -0.225 38.259 38.487 -0.006 0.000 0.986 152 N HN 0.585 nan 8.380 nan 0.000 0.429 153 K N -1.771 118.488 120.400 -0.235 0.000 2.211 153 K HA -0.029 5.263 4.320 1.619 0.000 0.201 153 K C 0.927 177.333 176.600 -0.324 0.000 1.052 153 K CA 0.815 56.905 56.287 -0.329 0.000 0.973 153 K CB 0.086 32.274 32.500 -0.520 0.000 0.766 153 K HN 0.341 nan 8.250 nan 0.000 0.466 154 H N -1.632 117.377 119.070 -0.102 0.000 3.017 154 H HA 0.073 5.605 4.556 1.627 0.000 0.255 154 H C -0.473 174.828 175.328 -0.045 0.000 0.990 154 H CA -0.327 55.696 56.048 -0.043 0.000 1.205 154 H CB 0.037 29.835 29.762 0.059 0.000 1.460 154 H HN 0.034 nan 8.280 nan 0.000 0.478 155 F N 2.570 122.329 119.950 -0.318 0.000 2.471 155 F HA 0.216 5.698 4.527 1.593 0.000 0.365 155 F C 0.769 176.555 175.800 -0.023 0.000 1.095 155 F CA -0.584 57.259 58.000 -0.262 0.000 1.174 155 F CB 0.359 39.034 39.000 -0.542 0.000 1.105 155 F HN -0.049 nan 8.300 nan 0.000 0.535 156 M N 4.520 123.788 119.600 -0.553 0.000 2.333 156 M HA -0.205 5.247 4.480 1.619 0.000 0.199 156 M C -0.575 175.667 176.300 -0.097 0.000 0.376 156 M CA 0.411 55.444 55.300 -0.444 0.000 0.440 156 M CB -2.140 29.963 32.600 -0.829 0.000 1.506 156 M HN 0.193 nan 8.290 nan 0.000 0.889 157 V N 0.250 120.148 119.914 -0.026 0.000 2.720 157 V HA 0.289 5.381 4.120 1.619 0.000 0.307 157 V C 1.711 177.795 176.094 -0.016 0.000 1.071 157 V CA 1.650 63.950 62.300 -0.000 0.000 1.199 157 V CB 0.524 32.361 31.823 0.024 0.000 0.900 157 V HN 1.058 nan 8.190 nan 0.000 0.494 158 G N 3.253 111.993 108.800 -0.100 0.000 2.194 158 G HA2 -0.169 4.763 3.960 1.619 0.000 0.236 158 G HA3 -0.169 4.763 3.960 1.619 0.000 0.236 158 G C 0.050 174.668 174.900 -0.470 0.000 0.987 158 G CA 0.103 45.043 45.100 -0.268 0.000 0.635 158 G HN 0.808 nan 8.290 nan 0.000 0.520 159 H N 0.020 119.046 119.070 -0.074 0.000 2.797 159 H HA 0.421 5.948 4.556 1.619 0.000 0.372 159 H C -2.748 172.522 175.328 -0.098 0.000 1.168 159 H CA -1.886 54.116 56.048 -0.076 0.000 1.163 159 H CB 1.959 31.666 29.762 -0.092 0.000 1.778 159 H HN 0.001 nan 8.280 nan 0.000 0.551 160 P HA 0.021 nan 4.420 nan 0.000 0.264 160 P C -0.600 176.660 177.300 -0.066 0.000 1.193 160 P CA 0.167 63.248 63.100 -0.032 0.000 0.763 160 P CB 0.612 32.304 31.700 -0.014 0.000 0.810 161 V N 5.759 125.577 119.914 -0.159 0.000 2.789 161 V HA 0.459 5.550 4.120 1.619 0.000 0.311 161 V C -0.135 175.711 176.094 -0.413 0.000 1.073 161 V CA -0.559 61.590 62.300 -0.251 0.000 0.921 161 V CB 2.080 33.711 31.823 -0.320 0.000 1.009 161 V HN 0.351 nan 8.190 nan 0.000 0.426 162 I N 4.676 124.998 120.570 -0.413 0.000 2.439 162 I HA 0.444 5.586 4.170 1.619 0.000 0.285 162 I C -0.986 174.756 176.117 -0.626 0.000 1.021 162 I CA -0.206 60.793 61.300 -0.502 0.000 1.091 162 I CB 1.553 39.317 38.000 -0.393 0.000 1.242 162 I HN 0.422 nan 8.210 nan 0.000 0.439 163 F N 5.370 125.199 119.950 -0.202 0.000 2.420 163 F HA 0.353 5.848 4.527 1.613 0.000 0.352 163 F C -0.291 175.400 175.800 -0.181 0.000 1.108 163 F CA -0.568 57.359 58.000 -0.121 0.000 1.162 163 F CB 0.691 39.761 39.000 0.116 0.000 1.118 163 F HN 0.315 nan 8.300 nan 0.000 0.510 164 Y N 4.199 124.679 120.300 0.300 0.000 2.491 164 Y HA 0.433 5.953 4.550 1.617 0.000 0.334 164 Y C -0.413 175.507 175.900 0.034 0.000 0.969 164 Y CA -0.972 57.247 58.100 0.198 0.000 1.241 164 Y CB 0.555 39.120 38.460 0.176 0.000 1.105 164 Y HN 0.348 nan 8.280 nan 0.000 0.503 165 I N 4.369 125.000 120.570 0.101 0.000 2.325 165 I HA 0.240 5.381 4.170 1.619 0.000 0.291 165 I C -0.349 175.704 176.117 -0.106 0.000 1.019 165 I CA -0.267 60.988 61.300 -0.074 0.000 1.302 165 I CB 0.734 38.626 38.000 -0.180 0.000 1.401 165 I HN 0.486 nan 8.210 nan 0.000 0.485 166 M N 8.049 127.474 119.600 -0.293 0.000 2.078 166 M HA 0.516 5.968 4.480 1.619 0.000 0.320 166 M C -0.641 175.554 176.300 -0.175 0.000 0.969 166 M CA -0.440 54.639 55.300 -0.368 0.000 0.929 166 M CB 1.417 33.348 32.600 -1.116 0.000 1.504 166 M HN 0.408 nan 8.290 nan 0.000 0.419 167 V N 0.011 119.891 119.914 -0.057 0.000 3.102 167 V HA 0.708 5.799 4.120 1.619 0.000 0.312 167 V C 0.085 176.195 176.094 0.027 0.000 1.135 167 V CA -0.740 61.559 62.300 -0.001 0.000 1.022 167 V CB 2.201 34.015 31.823 -0.014 0.000 1.056 167 V HN 0.831 nan 8.190 nan 0.000 0.436 168 D N -0.399 120.024 120.400 0.038 0.000 2.339 168 D HA 0.099 5.710 4.640 1.619 0.000 0.217 168 D C -0.109 176.207 176.300 0.026 0.000 1.050 168 D CA 0.386 54.408 54.000 0.038 0.000 0.856 168 D CB 0.602 41.425 40.800 0.038 0.000 0.922 168 D HN 0.648 nan 8.370 nan 0.000 0.518 169 D N 0.943 121.354 120.400 0.019 0.000 2.323 169 D HA 0.003 5.615 4.640 1.619 0.000 0.242 169 D C 1.237 177.537 176.300 -0.001 0.000 1.347 169 D CA -0.543 53.464 54.000 0.011 0.000 0.988 169 D CB 1.847 42.657 40.800 0.015 0.000 1.314 169 D HN -0.132 nan 8.370 nan 0.000 0.564 170 V N 1.971 121.879 119.914 -0.009 0.000 3.078 170 V HA -0.075 5.016 4.120 1.619 0.000 0.265 170 V C 1.644 177.723 176.094 -0.025 0.000 1.122 170 V CA 1.960 64.243 62.300 -0.029 0.000 1.141 170 V CB -0.642 31.158 31.823 -0.038 0.000 0.735 170 V HN 0.457 nan 8.190 nan 0.000 0.498 171 S N 0.404 116.097 115.700 -0.012 0.000 2.522 171 S HA 0.053 5.495 4.470 1.619 0.000 0.227 171 S C 1.880 176.477 174.600 -0.006 0.000 0.986 171 S CA 0.367 58.562 58.200 -0.008 0.000 0.929 171 S CB -0.389 62.809 63.200 -0.002 0.000 0.769 171 S HN 0.686 nan 8.310 nan 0.000 0.529 172 R N 0.171 120.668 120.500 -0.005 0.000 2.265 172 R HA 0.311 5.623 4.340 1.619 0.000 0.194 172 R C 0.572 176.868 176.300 -0.006 0.000 0.931 172 R CA 0.019 56.120 56.100 0.001 0.000 1.032 172 R CB -0.508 29.798 30.300 0.011 0.000 0.980 172 R HN 0.538 nan 8.270 nan 0.000 0.497 173 M N 4.440 124.026 119.600 -0.024 0.000 2.427 173 M HA 0.101 5.552 4.480 1.619 0.000 0.345 173 M C -2.258 174.017 176.300 -0.042 0.000 1.653 173 M CA -1.465 53.805 55.300 -0.049 0.000 1.138 173 M CB 0.411 32.957 32.600 -0.091 0.000 1.995 173 M HN -0.212 nan 8.290 nan 0.000 0.459 174 P HA 0.180 nan 4.420 nan 0.000 0.287 174 P C -1.325 175.980 177.300 0.007 0.000 1.294 174 P CA -0.100 62.999 63.100 -0.002 0.000 0.776 174 P CB 0.536 32.243 31.700 0.013 0.000 0.889 175 L N 5.482 126.728 121.223 0.037 0.000 2.261 175 L HA 0.375 5.687 4.340 1.619 0.000 0.289 175 L C 1.068 178.011 176.870 0.121 0.000 1.059 175 L CA -0.781 54.126 54.840 0.112 0.000 0.816 175 L CB 0.220 42.352 42.059 0.121 0.000 1.191 175 L HN 0.381 nan 8.230 nan 0.000 0.431 176 I N -0.644 120.025 120.570 0.164 0.000 2.918 176 I HA 0.511 5.652 4.170 1.619 0.000 0.316 176 I C 0.035 176.214 176.117 0.104 0.000 1.001 176 I CA -0.833 60.533 61.300 0.110 0.000 1.142 176 I CB 1.360 39.415 38.000 0.092 0.000 1.356 176 I HN 0.481 nan 8.210 nan 0.000 0.524 177 E N 2.418 122.647 120.200 0.048 0.000 2.331 177 E HA 0.453 5.775 4.350 1.619 0.000 0.272 177 E C -1.345 175.253 176.600 -0.004 0.000 1.036 177 E CA -0.531 55.877 56.400 0.012 0.000 0.864 177 E CB 1.080 30.780 29.700 -0.000 0.000 1.035 177 E HN 0.521 nan 8.360 nan 0.000 0.408 178 L N 3.127 124.318 121.223 -0.053 0.000 2.334 178 L HA 0.536 5.847 4.340 1.619 0.000 0.276 178 L C 0.769 177.601 176.870 -0.062 0.000 1.014 178 L CA -0.890 53.912 54.840 -0.063 0.000 0.815 178 L CB 1.800 43.754 42.059 -0.176 0.000 1.268 178 L HN 0.684 nan 8.230 nan 0.000 0.428 179 G N 1.893 110.669 108.800 -0.041 0.000 2.535 179 G HA2 0.446 5.378 3.960 1.619 0.000 0.282 179 G HA3 0.446 5.378 3.960 1.619 0.000 0.282 179 G C -2.623 172.240 174.900 -0.062 0.000 1.350 179 G CA -1.119 43.953 45.100 -0.047 0.000 1.039 179 G HN 0.345 nan 8.290 nan 0.000 0.509 180 P HA 0.184 nan 4.420 nan 0.000 0.266 180 P C 0.504 177.759 177.300 -0.076 0.000 1.195 180 P CA 0.140 63.202 63.100 -0.064 0.000 0.768 180 P CB 0.431 32.099 31.700 -0.053 0.000 0.838 181 L N -1.018 120.154 121.223 -0.085 0.000 4.496 181 L HA -0.263 5.048 4.340 1.619 0.000 0.419 181 L C 0.254 177.040 176.870 -0.140 0.000 1.139 181 L CA 0.676 55.458 54.840 -0.096 0.000 0.975 181 L CB -1.167 40.844 42.059 -0.081 0.000 2.099 181 L HN 0.572 nan 8.230 nan 0.000 0.818 182 R N 0.279 120.681 120.500 -0.164 0.000 2.807 182 R HA 0.901 6.213 4.340 1.619 0.000 0.276 182 R C 0.024 176.157 176.300 -0.278 0.000 0.979 182 R CA 0.067 56.012 56.100 -0.258 0.000 0.928 182 R CB 1.998 32.193 30.300 -0.174 0.000 1.191 182 R HN 0.158 nan 8.270 nan 0.000 0.471 183 S N -0.081 115.407 115.700 -0.355 0.000 2.636 183 S HA 0.815 6.257 4.470 1.619 0.000 0.266 183 S C -1.098 173.351 174.600 -0.252 0.000 1.147 183 S CA -0.892 57.079 58.200 -0.381 0.000 0.815 183 S CB 1.389 64.445 63.200 -0.240 0.000 1.119 183 S HN 0.634 nan 8.310 nan 0.000 0.470 184 F N -1.738 118.184 119.950 -0.047 0.000 2.877 184 F HA 0.895 6.392 4.527 1.616 0.000 0.319 184 F C -1.903 173.871 175.800 -0.044 0.000 1.174 184 F CA -1.232 56.746 58.000 -0.037 0.000 0.903 184 F CB 0.602 39.663 39.000 0.102 0.000 1.357 184 F HN 1.032 nan 8.300 nan 0.000 0.472 185 K N 0.680 121.249 120.400 0.282 0.000 2.543 185 K HA 0.747 6.039 4.320 1.619 0.000 0.255 185 K C -2.254 174.191 176.600 -0.258 0.000 0.934 185 K CA -0.932 55.344 56.287 -0.018 0.000 0.810 185 K CB 2.488 34.924 32.500 -0.106 0.000 1.315 185 K HN 0.594 nan 8.250 nan 0.000 0.433 186 V N 2.370 122.042 119.914 -0.402 0.000 2.532 186 V HA 0.570 5.662 4.120 1.619 0.000 0.295 186 V C -0.796 174.997 176.094 -0.502 0.000 1.041 186 V CA -0.628 61.456 62.300 -0.360 0.000 0.926 186 V CB 0.446 32.106 31.823 -0.272 0.000 0.992 186 V HN 0.641 nan 8.190 nan 0.000 0.457 187 F N 1.735 121.643 119.950 -0.069 0.000 2.563 187 F HA 0.557 6.055 4.527 1.618 0.000 0.316 187 F C 0.123 175.897 175.800 -0.043 0.000 1.076 187 F CA -0.838 57.147 58.000 -0.026 0.000 0.921 187 F CB 1.961 40.980 39.000 0.032 0.000 1.209 187 F HN 0.336 nan 8.300 nan 0.000 0.462 188 K N 4.552 125.052 120.400 0.166 0.000 2.227 188 K HA 0.675 5.966 4.320 1.619 0.000 0.280 188 K C -0.901 175.763 176.600 0.108 0.000 1.041 188 K CA -0.365 55.977 56.287 0.091 0.000 0.905 188 K CB 0.770 33.304 32.500 0.057 0.000 1.068 188 K HN 0.760 nan 8.250 nan 0.000 0.470 189 I N -0.283 120.337 120.570 0.084 0.000 3.067 189 I HA 0.471 5.612 4.170 1.619 0.000 0.312 189 I C -0.727 175.431 176.117 0.067 0.000 1.073 189 I CA -1.284 60.070 61.300 0.090 0.000 1.016 189 I CB 1.695 39.771 38.000 0.127 0.000 1.227 189 I HN 0.478 nan 8.210 nan 0.000 0.456 190 K N 3.479 123.913 120.400 0.056 0.000 2.322 190 K HA 0.381 5.673 4.320 1.619 0.000 0.283 190 K C -2.365 174.253 176.600 0.031 0.000 1.042 190 K CA -1.423 54.885 56.287 0.035 0.000 0.958 190 K CB 0.623 33.136 32.500 0.022 0.000 0.984 190 K HN 0.482 nan 8.250 nan 0.000 0.473 191 P HA 0.150 nan 4.420 nan 0.000 0.292 191 P C -1.033 176.266 177.300 -0.001 0.000 1.326 191 P CA -0.390 62.718 63.100 0.013 0.000 0.787 191 P CB 1.111 32.821 31.700 0.017 0.000 0.903 192 E N 2.961 123.151 120.200 -0.017 0.000 2.390 192 E HA 0.039 5.361 4.350 1.619 0.000 0.261 192 E C 0.942 177.526 176.600 -0.027 0.000 1.076 192 E CA -0.233 56.150 56.400 -0.030 0.000 0.905 192 E CB 0.919 30.586 29.700 -0.054 0.000 0.984 192 E HN 0.280 nan 8.360 nan 0.000 0.427 193 K N 1.390 121.772 120.400 -0.031 0.000 2.002 193 K HA -0.072 5.219 4.320 1.619 0.000 0.209 193 K C 0.770 177.351 176.600 -0.032 0.000 1.048 193 K CA 1.278 57.551 56.287 -0.024 0.000 0.930 193 K CB -0.061 32.423 32.500 -0.028 0.000 0.714 193 K HN 0.287 nan 8.250 nan 0.000 0.438 194 R N 0.840 121.289 120.500 -0.085 0.000 2.410 194 R HA 0.087 5.399 4.340 1.619 0.000 0.288 194 R C 1.098 177.296 176.300 -0.170 0.000 1.051 194 R CA -0.344 55.660 56.100 -0.160 0.000 1.021 194 R CB 0.461 30.601 30.300 -0.267 0.000 1.032 194 R HN 0.393 nan 8.270 nan 0.000 0.481 195 W N 2.524 123.745 121.300 -0.131 0.000 2.425 195 W HA -0.137 5.493 4.660 1.618 0.000 0.277 195 W C 0.429 176.805 176.519 -0.237 0.000 1.231 195 W CA 0.464 57.703 57.345 -0.177 0.000 1.248 195 W CB -0.280 29.085 29.460 -0.157 0.000 1.117 195 W HN 0.554 nan 8.180 nan 0.000 0.568 196 Q N 1.346 120.517 119.800 -1.047 0.000 2.084 196 Q HA -0.152 5.160 4.340 1.619 0.000 0.202 196 Q C 1.831 177.551 176.000 -0.468 0.000 0.978 196 Q CA 2.271 57.422 55.803 -1.086 0.000 0.844 196 Q CB -0.541 27.448 28.738 -1.248 0.000 0.898 196 Q HN 0.201 nan 8.270 nan 0.000 0.426 197 D N -0.146 120.056 120.400 -0.331 0.000 2.224 197 D HA -0.056 5.555 4.640 1.619 0.000 0.205 197 D C 1.782 177.996 176.300 -0.143 0.000 0.965 197 D CA 0.707 54.602 54.000 -0.175 0.000 0.852 197 D CB 0.094 40.815 40.800 -0.131 0.000 0.947 197 D HN 0.278 nan 8.370 nan 0.000 0.494 198 I N 0.507 120.988 120.570 -0.148 0.000 2.179 198 I HA -0.243 4.899 4.170 1.619 0.000 0.242 198 I C 2.585 178.578 176.117 -0.207 0.000 1.088 198 I CA 0.761 61.971 61.300 -0.149 0.000 1.357 198 I CB -0.194 37.732 38.000 -0.124 0.000 1.051 198 I HN -0.069 nan 8.210 nan 0.000 0.409 199 S N 0.584 116.193 115.700 -0.153 0.000 2.368 199 S HA -0.155 5.287 4.470 1.619 0.000 0.225 199 S C 2.114 176.635 174.600 -0.131 0.000 1.030 199 S CA 1.361 59.484 58.200 -0.128 0.000 0.999 199 S CB -0.089 63.115 63.200 0.007 0.000 0.844 199 S HN 0.270 nan 8.310 nan 0.000 0.459 200 M N -0.191 119.354 119.600 -0.093 0.000 2.200 200 M HA 0.023 5.475 4.480 1.619 0.000 0.265 200 M C 2.208 178.488 176.300 -0.032 0.000 1.066 200 M CA 1.067 56.355 55.300 -0.020 0.000 1.127 200 M CB -0.309 32.308 32.600 0.029 0.000 1.379 200 M HN 0.355 nan 8.290 nan 0.000 0.420 201 M N 0.473 120.017 119.600 -0.094 0.000 2.358 201 M HA -0.121 5.330 4.480 1.619 0.000 0.264 201 M C 1.859 177.964 176.300 -0.326 0.000 1.064 201 M CA 1.673 56.876 55.300 -0.161 0.000 1.093 201 M CB -0.368 32.152 32.600 -0.134 0.000 1.401 201 M HN 0.060 nan 8.290 nan 0.000 0.440 202 R N -0.984 119.249 120.500 -0.445 0.000 2.117 202 R HA -0.194 5.118 4.340 1.619 0.000 0.243 202 R C 1.948 178.077 176.300 -0.286 0.000 1.143 202 R CA 1.694 57.393 56.100 -0.669 0.000 0.968 202 R CB -0.538 29.236 30.300 -0.876 0.000 0.863 202 R HN 0.394 nan 8.270 nan 0.000 0.444 203 M N 0.648 120.121 119.600 -0.212 0.000 2.159 203 M HA -0.164 5.288 4.480 1.619 0.000 0.263 203 M C 2.147 178.264 176.300 -0.305 0.000 1.063 203 M CA 1.557 56.769 55.300 -0.147 0.000 1.110 203 M CB -0.674 31.899 32.600 -0.045 0.000 1.374 203 M HN 0.110 nan 8.290 nan 0.000 0.411 204 K N -0.060 119.955 120.400 -0.642 0.000 2.007 204 K HA -0.095 5.197 4.320 1.619 0.000 0.206 204 K C 1.864 178.249 176.600 -0.358 0.000 1.047 204 K CA 1.757 57.544 56.287 -0.833 0.000 0.937 204 K CB -0.005 31.677 32.500 -1.363 0.000 0.718 204 K HN 0.185 nan 8.250 nan 0.000 0.438 205 T N 1.818 116.242 114.554 -0.217 0.000 2.720 205 T HA -0.123 5.199 4.350 1.619 0.000 0.268 205 T C 1.882 176.643 174.700 0.101 0.000 1.037 205 T CA 1.559 63.669 62.100 0.017 0.000 1.144 205 T CB -0.198 68.786 68.868 0.194 0.000 0.864 205 T HN 0.190 nan 8.240 nan 0.000 0.444 206 I N 1.221 121.832 120.570 0.069 0.000 2.163 206 I HA -0.148 4.994 4.170 1.619 0.000 0.243 206 I C 2.910 178.999 176.117 -0.047 0.000 1.085 206 I CA 1.438 62.754 61.300 0.027 0.000 1.347 206 I CB -0.718 37.314 38.000 0.052 0.000 1.044 206 I HN 0.327 nan 8.210 nan 0.000 0.408 207 G N 0.234 108.987 108.800 -0.079 0.000 2.422 207 G HA2 -0.224 4.708 3.960 1.619 0.000 0.218 207 G HA3 -0.224 4.708 3.960 1.619 0.000 0.218 207 G C 1.484 176.309 174.900 -0.125 0.000 1.146 207 G CA 0.638 45.675 45.100 -0.106 0.000 0.769 207 G HN 0.449 nan 8.290 nan 0.000 0.547 208 E N -0.177 119.948 120.200 -0.124 0.000 2.110 208 E HA -0.124 5.198 4.350 1.619 0.000 0.193 208 E C 2.209 178.662 176.600 -0.245 0.000 0.988 208 E CA 1.008 57.306 56.400 -0.170 0.000 0.804 208 E CB -0.200 29.389 29.700 -0.185 0.000 0.745 208 E HN 0.578 nan 8.360 nan 0.000 0.458 209 H N 0.283 119.188 119.070 -0.274 0.000 2.428 209 H HA 0.035 5.564 4.556 1.621 0.000 0.296 209 H C 1.973 176.947 175.328 -0.591 0.000 1.062 209 H CA 0.921 56.720 56.048 -0.415 0.000 1.350 209 H CB 0.069 29.524 29.762 -0.511 0.000 1.403 209 H HN 0.098 nan 8.280 nan 0.000 0.533 210 I N -0.338 120.041 120.570 -0.317 0.000 2.226 210 I HA -0.229 4.912 4.170 1.619 0.000 0.245 210 I C 1.803 177.727 176.117 -0.322 0.000 1.100 210 I CA 0.876 61.971 61.300 -0.341 0.000 1.374 210 I CB -0.107 37.760 38.000 -0.223 0.000 1.057 210 I HN 0.130 nan 8.210 nan 0.000 0.413 211 V N 0.921 120.692 119.914 -0.239 0.000 2.323 211 V HA -0.190 4.902 4.120 1.619 0.000 0.244 211 V C 2.709 178.711 176.094 -0.153 0.000 1.041 211 V CA 1.775 63.964 62.300 -0.186 0.000 1.025 211 V CB -1.021 30.727 31.823 -0.125 0.000 0.656 211 V HN 0.448 nan 8.190 nan 0.000 0.451 212 A N 0.052 122.788 122.820 -0.140 0.000 1.933 212 A HA -0.207 5.085 4.320 1.619 0.000 0.218 212 A C 2.029 179.688 177.584 0.124 0.000 1.175 212 A CA 2.265 54.290 52.037 -0.019 0.000 0.628 212 A CB -0.375 18.592 19.000 -0.055 0.000 0.814 212 A HN 0.889 nan 8.150 nan 0.000 0.444 213 H N -4.442 114.580 119.070 -0.079 0.000 2.359 213 H HA 0.171 5.698 4.556 1.619 0.000 0.166 213 H C 1.678 176.967 175.328 -0.066 0.000 0.898 213 H CA 0.456 56.516 56.048 0.020 0.000 0.819 213 H CB -0.741 29.075 29.762 0.090 0.000 0.888 213 H HN 0.297 nan 8.280 nan 0.000 0.441 214 I N 2.816 122.881 120.570 -0.842 0.000 2.315 214 I HA -0.329 4.812 4.170 1.619 0.000 0.251 214 I C 2.831 178.794 176.117 -0.257 0.000 1.125 214 I CA 2.389 63.388 61.300 -0.502 0.000 1.392 214 I CB -0.334 37.267 38.000 -0.664 0.000 1.065 214 I HN 0.425 nan 8.210 nan 0.000 0.424 215 Q N 0.204 119.781 119.800 -0.371 0.000 2.291 215 Q HA -0.197 5.115 4.340 1.619 0.000 0.205 215 Q C 1.458 177.269 176.000 -0.315 0.000 0.970 215 Q CA 1.421 57.005 55.803 -0.365 0.000 0.876 215 Q CB -0.287 28.173 28.738 -0.463 0.000 0.935 215 Q HN 0.591 nan 8.270 nan 0.000 0.455 216 H N -0.004 119.056 119.070 -0.017 0.000 2.551 216 H HA 0.225 5.753 4.556 1.620 0.000 0.271 216 H C 0.538 175.892 175.328 0.043 0.000 0.984 216 H CA 0.605 56.661 56.048 0.013 0.000 1.164 216 H CB 0.630 30.411 29.762 0.032 0.000 1.437 216 H HN 0.575 nan 8.280 nan 0.000 0.550 217 E N 0.600 120.882 120.200 0.137 0.000 2.434 217 E HA 0.123 5.445 4.350 1.619 0.000 0.207 217 E C 0.505 177.175 176.600 0.116 0.000 0.929 217 E CA 0.115 56.614 56.400 0.164 0.000 1.001 217 E CB 1.424 31.291 29.700 0.280 0.000 1.016 217 E HN 0.126 nan 8.360 nan 0.000 0.502 218 V N -1.997 117.959 119.914 0.069 0.000 3.130 218 V HA 0.345 5.437 4.120 1.619 0.000 0.310 218 V C -0.338 175.714 176.094 -0.070 0.000 1.158 218 V CA -0.863 61.460 62.300 0.037 0.000 1.029 218 V CB 2.306 34.194 31.823 0.109 0.000 1.057 218 V HN -0.171 nan 8.190 nan 0.000 0.436 219 D N 0.545 120.870 120.400 -0.125 0.000 2.277 219 D HA 0.233 5.844 4.640 1.619 0.000 0.209 219 D C -0.244 175.597 176.300 -0.764 0.000 0.970 219 D CA 1.577 55.337 54.000 -0.399 0.000 0.874 219 D CB 0.511 41.106 40.800 -0.343 0.000 0.982 219 D HN 0.514 nan 8.370 nan 0.000 0.504 220 F N -0.051 119.855 119.950 -0.075 0.000 2.599 220 F HA 0.479 5.984 4.527 1.629 0.000 0.311 220 F C -0.597 175.173 175.800 -0.050 0.000 1.076 220 F CA -1.151 56.785 58.000 -0.106 0.000 0.937 220 F CB 2.230 41.128 39.000 -0.170 0.000 1.282 220 F HN -0.332 nan 8.300 nan 0.000 0.460 221 L N 1.873 123.141 121.223 0.075 0.000 2.445 221 L HA 0.703 6.015 4.340 1.619 0.000 0.262 221 L C -2.055 174.774 176.870 -0.068 0.000 0.974 221 L CA -0.445 54.443 54.840 0.081 0.000 0.822 221 L CB 1.767 43.849 42.059 0.039 0.000 1.339 221 L HN 0.466 nan 8.230 nan 0.000 0.409 222 F N 2.804 122.841 119.950 0.145 0.000 2.520 222 F HA 0.611 6.129 4.527 1.652 0.000 0.322 222 F C -0.436 175.296 175.800 -0.112 0.000 1.103 222 F CA -0.416 57.609 58.000 0.041 0.000 0.926 222 F CB 1.884 40.989 39.000 0.174 0.000 1.154 222 F HN 0.405 nan 8.300 nan 0.000 0.453 223 C N 4.948 124.149 119.300 -0.166 0.000 2.345 223 C HA 0.819 6.251 4.460 1.619 0.000 0.323 223 C C -0.183 174.638 174.990 -0.281 0.000 1.276 223 C CA -0.979 57.844 59.018 -0.326 0.000 1.543 223 C CB 0.121 27.433 27.740 -0.714 0.000 2.211 223 C HN 0.738 nan 8.230 nan 0.000 0.493 224 M N 1.546 121.062 119.600 -0.140 0.000 2.593 224 M HA 0.375 5.827 4.480 1.619 0.000 0.290 224 M C -1.097 175.083 176.300 -0.198 0.000 1.244 224 M CA -0.499 54.714 55.300 -0.146 0.000 0.857 224 M CB 1.716 34.259 32.600 -0.095 0.000 1.738 224 M HN 0.510 nan 8.290 nan 0.000 0.461 225 D N 0.681 120.959 120.400 -0.204 0.000 2.361 225 D HA 0.094 5.706 4.640 1.619 0.000 0.239 225 D C 0.389 176.478 176.300 -0.352 0.000 1.200 225 D CA -0.010 53.868 54.000 -0.203 0.000 0.915 225 D CB 1.548 42.227 40.800 -0.201 0.000 1.170 225 D HN 0.336 nan 8.370 nan 0.000 0.444 226 V N 0.937 120.688 119.914 -0.272 0.000 3.307 226 V HA -0.062 5.029 4.120 1.619 0.000 0.253 226 V C 0.515 176.506 176.094 -0.171 0.000 1.149 226 V CA 0.616 62.697 62.300 -0.364 0.000 1.112 226 V CB -0.142 31.614 31.823 -0.111 0.000 0.777 226 V HN 0.578 nan 8.190 nan 0.000 0.464 227 D N 2.176 122.417 120.400 -0.266 0.000 2.982 227 D HA 0.034 5.646 4.640 1.619 0.000 0.238 227 D C 0.173 176.259 176.300 -0.358 0.000 1.168 227 D CA -0.021 53.563 54.000 -0.693 0.000 0.947 227 D CB -0.289 40.041 40.800 -0.782 0.000 1.147 227 D HN 0.787 nan 8.370 nan 0.000 0.450 228 Q N -1.743 117.988 119.800 -0.115 0.000 2.633 228 Q HA 0.578 5.889 4.340 1.619 0.000 0.289 228 Q C -1.911 174.166 176.000 0.128 0.000 0.940 228 Q CA -1.161 54.651 55.803 0.014 0.000 0.785 228 Q CB 1.545 30.259 28.738 -0.039 0.000 1.467 228 Q HN -0.041 nan 8.270 nan 0.000 0.401 229 V N 1.330 121.297 119.914 0.087 0.000 2.709 229 V HA 0.494 5.585 4.120 1.619 0.000 0.308 229 V C -0.950 175.181 176.094 0.062 0.000 1.062 229 V CA -0.720 61.646 62.300 0.110 0.000 0.901 229 V CB 1.616 33.544 31.823 0.175 0.000 1.003 229 V HN 0.696 nan 8.190 nan 0.000 0.425 230 F N 2.747 122.733 119.950 0.059 0.000 2.471 230 F HA 0.321 5.825 4.527 1.628 0.000 0.353 230 F C 1.435 177.367 175.800 0.219 0.000 1.113 230 F CA 0.242 58.324 58.000 0.138 0.000 1.262 230 F CB 0.895 39.995 39.000 0.168 0.000 1.146 230 F HN 0.470 nan 8.300 nan 0.000 0.578 231 Q N 0.585 120.521 119.800 0.228 0.000 2.280 231 Q HA 0.186 5.497 4.340 1.619 0.000 0.244 231 Q C -0.252 175.538 176.000 -0.350 0.000 0.847 231 Q CA 0.402 56.250 55.803 0.075 0.000 0.945 231 Q CB 1.105 29.925 28.738 0.137 0.000 1.115 231 Q HN 0.667 nan 8.270 nan 0.000 0.513 232 D N -0.306 119.759 120.400 -0.558 0.000 2.779 232 D HA 0.186 5.798 4.640 1.619 0.000 0.331 232 D C -0.957 175.170 176.300 -0.287 0.000 1.331 232 D CA -0.528 53.097 54.000 -0.623 0.000 0.866 232 D CB 1.415 42.097 40.800 -0.197 0.000 1.409 232 D HN -0.256 nan 8.370 nan 0.000 0.486 233 K N 0.699 121.071 120.400 -0.046 0.000 2.491 233 K HA 0.038 5.330 4.320 1.619 0.000 0.279 233 K C -0.356 176.368 176.600 0.205 0.000 1.026 233 K CA 0.676 57.044 56.287 0.134 0.000 1.070 233 K CB 0.293 32.862 32.500 0.114 0.000 0.887 233 K HN 0.213 nan 8.250 nan 0.000 0.481 234 F N 3.053 123.086 119.950 0.138 0.000 2.564 234 F HA 0.303 5.852 4.527 1.702 0.000 0.361 234 F C 0.402 176.201 175.800 -0.003 0.000 1.161 234 F CA -0.541 57.583 58.000 0.207 0.000 1.198 234 F CB 0.572 39.859 39.000 0.478 0.000 1.424 234 F HN 0.595 nan 8.300 nan 0.000 0.517 235 G N 1.187 109.997 108.800 0.017 0.000 2.606 235 G HA2 0.298 5.229 3.960 1.619 0.000 0.262 235 G HA3 0.298 5.229 3.960 1.619 0.000 0.262 235 G C 0.901 175.676 174.900 -0.207 0.000 1.394 235 G CA -0.056 44.991 45.100 -0.089 0.000 1.044 235 G HN 0.535 nan 8.290 nan 0.000 0.553 236 V N -0.689 119.092 119.914 -0.221 0.000 3.026 236 V HA -0.056 5.036 4.120 1.619 0.000 0.265 236 V C 2.122 177.995 176.094 -0.368 0.000 1.121 236 V CA 2.224 64.327 62.300 -0.328 0.000 1.142 236 V CB -0.660 31.027 31.823 -0.226 0.000 0.730 236 V HN 0.723 nan 8.190 nan 0.000 0.503 237 E N 2.575 122.531 120.200 -0.407 0.000 2.478 237 E HA -0.167 5.155 4.350 1.619 0.000 0.198 237 E C 1.729 177.982 176.600 -0.577 0.000 1.046 237 E CA 1.493 57.536 56.400 -0.595 0.000 0.870 237 E CB -0.663 28.697 29.700 -0.566 0.000 0.818 237 E HN 0.815 nan 8.360 nan 0.000 0.527 238 T N -1.360 112.924 114.554 -0.449 0.000 3.069 238 T HA 0.286 5.607 4.350 1.619 0.000 0.252 238 T C 1.004 175.640 174.700 -0.106 0.000 1.053 238 T CA -0.435 61.467 62.100 -0.329 0.000 0.964 238 T CB -0.216 68.416 68.868 -0.393 0.000 1.005 238 T HN -0.002 nan 8.240 nan 0.000 0.532 239 L N 1.507 122.535 121.223 -0.324 0.000 2.417 239 L HA 0.668 5.980 4.340 1.619 0.000 0.268 239 L C 0.937 177.526 176.870 -0.469 0.000 1.158 239 L CA 0.016 54.517 54.840 -0.564 0.000 0.819 239 L CB 0.678 42.041 42.059 -1.159 0.000 1.112 239 L HN 0.504 nan 8.230 nan 0.000 0.458 240 G N 0.650 109.230 108.800 -0.367 0.000 2.338 240 G HA2 0.097 5.029 3.960 1.619 0.000 0.295 240 G HA3 0.097 5.029 3.960 1.619 0.000 0.295 240 G C -0.112 174.904 174.900 0.194 0.000 1.461 240 G CA -0.542 44.551 45.100 -0.011 0.000 0.817 240 G HN 0.417 nan 8.290 nan 0.000 0.556 241 E N -0.198 120.129 120.200 0.211 0.000 2.068 241 E HA -0.126 5.195 4.350 1.619 0.000 0.207 241 E C 1.465 178.149 176.600 0.139 0.000 1.032 241 E CA 2.159 58.666 56.400 0.178 0.000 0.839 241 E CB -0.337 29.450 29.700 0.144 0.000 0.758 241 E HN 0.958 nan 8.360 nan 0.000 0.457 242 S N -0.630 115.147 115.700 0.129 0.000 2.677 242 S HA 0.539 5.981 4.470 1.619 0.000 0.283 242 S C -0.567 174.090 174.600 0.096 0.000 1.159 242 S CA -0.996 57.298 58.200 0.157 0.000 1.001 242 S CB 1.966 65.317 63.200 0.252 0.000 1.032 242 S HN -0.079 nan 8.310 nan 0.000 0.487 243 V N 1.972 121.941 119.914 0.091 0.000 2.555 243 V HA 0.938 6.029 4.120 1.619 0.000 0.302 243 V C 0.349 176.503 176.094 0.099 0.000 1.038 243 V CA -0.456 61.876 62.300 0.053 0.000 0.887 243 V CB 1.322 33.196 31.823 0.085 0.000 0.991 243 V HN 1.242 nan 8.190 nan 0.000 0.434 244 A N 3.365 126.119 122.820 -0.111 0.000 2.386 244 A HA 0.916 6.207 4.320 1.619 0.000 0.308 244 A C -0.912 176.739 177.584 0.112 0.000 1.128 244 A CA -0.721 51.231 52.037 -0.142 0.000 0.789 244 A CB 1.995 20.340 19.000 -1.092 0.000 1.325 244 A HN 0.754 nan 8.150 nan 0.000 0.437 245 Q N 0.545 120.515 119.800 0.283 0.000 2.333 245 Q HA 0.612 5.923 4.340 1.619 0.000 0.267 245 Q C -1.762 174.445 176.000 0.345 0.000 1.012 245 Q CA -0.211 55.760 55.803 0.280 0.000 0.824 245 Q CB 1.229 30.154 28.738 0.313 0.000 1.290 245 Q HN 0.629 nan 8.270 nan 0.000 0.449 246 L N 3.780 125.132 121.223 0.215 0.000 2.369 246 L HA 0.245 5.557 4.340 1.619 0.000 0.279 246 L C 0.491 177.554 176.870 0.322 0.000 1.108 246 L CA -0.322 54.639 54.840 0.202 0.000 0.852 246 L CB 0.941 43.049 42.059 0.083 0.000 1.169 246 L HN 0.611 nan 8.230 nan 0.000 0.452 247 Q N 2.311 122.341 119.800 0.383 0.000 2.255 247 Q HA -0.007 5.304 4.340 1.619 0.000 0.280 247 Q C 0.975 177.264 176.000 0.483 0.000 1.068 247 Q CA 0.340 56.407 55.803 0.441 0.000 0.911 247 Q CB 1.469 30.487 28.738 0.466 0.000 1.157 247 Q HN 0.855 nan 8.270 nan 0.000 0.380 248 A N 4.523 127.605 122.820 0.437 0.000 1.940 248 A HA -0.216 5.076 4.320 1.619 0.000 0.221 248 A C 1.208 178.860 177.584 0.113 0.000 1.190 248 A CA 1.704 53.875 52.037 0.223 0.000 0.647 248 A CB -0.681 18.118 19.000 -0.334 0.000 0.821 248 A HN 0.916 nan 8.150 nan 0.000 0.457 249 W N -2.730 118.523 121.300 -0.078 0.000 2.800 249 W HA 0.153 5.785 4.660 1.620 0.000 0.249 249 W C 1.094 177.263 176.519 -0.583 0.000 1.294 249 W CA 0.072 57.175 57.345 -0.405 0.000 1.402 249 W CB -0.308 28.765 29.460 -0.644 0.000 1.126 249 W HN 0.539 nan 8.180 nan 0.000 0.652 250 W N -1.739 119.724 121.300 0.272 0.000 2.714 250 W HA 0.161 5.786 4.660 1.608 0.000 0.353 250 W C 1.720 178.391 176.519 0.253 0.000 0.999 250 W CA -0.725 56.732 57.345 0.187 0.000 1.629 250 W CB -1.182 28.282 29.460 0.007 0.000 1.106 250 W HN 0.002 nan 8.180 nan 0.000 0.545 251 Y N 0.434 120.970 120.300 0.393 0.000 2.384 251 Y HA -0.063 5.484 4.550 1.662 0.000 0.289 251 Y C 1.633 177.787 175.900 0.423 0.000 1.152 251 Y CA 1.357 59.702 58.100 0.408 0.000 1.258 251 Y CB -0.446 38.228 38.460 0.356 0.000 0.979 251 Y HN -0.192 nan 8.280 nan 0.000 0.549 252 K N 0.818 121.111 120.400 -0.178 0.000 2.358 252 K HA 0.387 5.678 4.320 1.619 0.000 0.197 252 K C 0.704 177.359 176.600 0.091 0.000 1.025 252 K CA 0.466 56.682 56.287 -0.119 0.000 1.104 252 K CB 0.343 32.623 32.500 -0.367 0.000 0.855 252 K HN 0.353 nan 8.250 nan 0.000 0.531 253 A N 1.778 124.765 122.820 0.280 0.000 2.366 253 A HA 0.034 5.326 4.320 1.619 0.000 0.249 253 A C -0.083 177.604 177.584 0.172 0.000 1.084 253 A CA -0.248 51.994 52.037 0.343 0.000 0.794 253 A CB 0.262 19.705 19.000 0.738 0.000 1.034 253 A HN 0.162 nan 8.150 nan 0.000 0.491 254 D N 1.667 122.055 120.400 -0.020 0.000 2.312 254 D HA 0.164 5.776 4.640 1.619 0.000 0.252 254 D C -1.423 174.477 176.300 -0.666 0.000 1.150 254 D CA -1.529 52.344 54.000 -0.211 0.000 0.870 254 D CB 1.131 41.864 40.800 -0.112 0.000 1.153 254 D HN 0.182 nan 8.370 nan 0.000 0.457 255 P HA -0.187 nan 4.420 nan 0.000 0.218 255 P C 0.643 177.417 177.300 -0.877 0.000 1.147 255 P CA 1.004 63.106 63.100 -1.663 0.000 0.827 255 P CB 0.255 31.578 31.700 -0.628 0.000 0.778 256 N N -0.332 118.150 118.700 -0.363 0.000 2.571 256 N HA -0.067 5.644 4.740 1.619 0.000 0.189 256 N C 0.721 176.252 175.510 0.035 0.000 1.154 256 N CA 0.785 53.833 53.050 -0.004 0.000 0.907 256 N CB -0.187 38.342 38.487 0.070 0.000 0.977 256 N HN 0.270 nan 8.380 nan 0.000 0.449 257 D N -0.584 119.732 120.400 -0.140 0.000 2.433 257 D HA 0.116 5.728 4.640 1.619 0.000 0.211 257 D C 0.342 176.583 176.300 -0.097 0.000 1.114 257 D CA -0.179 53.831 54.000 0.017 0.000 0.837 257 D CB 0.443 41.333 40.800 0.150 0.000 0.984 257 D HN 0.143 nan 8.370 nan 0.000 0.505 258 F N 1.801 121.484 119.950 -0.446 0.000 2.553 258 F HA -0.016 5.488 4.527 1.629 0.000 0.356 258 F C 1.690 176.938 175.800 -0.919 0.000 1.142 258 F CA -0.033 57.379 58.000 -0.980 0.000 1.322 258 F CB 0.677 39.011 39.000 -1.110 0.000 1.126 258 F HN -0.197 nan 8.300 nan 0.000 0.599 259 T N 0.453 114.365 114.554 -1.069 0.000 3.843 259 T HA 0.237 5.558 4.350 1.619 0.000 0.227 259 T C -0.445 174.278 174.700 0.039 0.000 1.043 259 T CA -0.330 61.489 62.100 -0.470 0.000 1.012 259 T CB -1.156 67.432 68.868 -0.466 0.000 1.279 259 T HN 0.343 nan 8.240 nan 0.000 0.730 260 Y N 0.677 121.032 120.300 0.091 0.000 2.298 260 Y HA 0.360 5.879 4.550 1.616 0.000 0.329 260 Y C 1.043 176.977 175.900 0.056 0.000 1.293 260 Y CA -1.532 56.653 58.100 0.142 0.000 1.388 260 Y CB 0.715 39.196 38.460 0.035 0.000 1.309 260 Y HN 0.286 nan 8.280 nan 0.000 0.544 261 E N 1.607 121.927 120.200 0.200 0.000 2.299 261 E HA 0.043 5.365 4.350 1.619 0.000 0.272 261 E C -0.100 176.572 176.600 0.120 0.000 1.043 261 E CA -0.079 56.378 56.400 0.095 0.000 0.895 261 E CB 0.531 30.234 29.700 0.004 0.000 1.011 261 E HN 0.388 nan 8.360 nan 0.000 0.432 262 R N 3.982 124.557 120.500 0.126 0.000 2.393 262 R HA 0.194 5.506 4.340 1.619 0.000 0.244 262 R C -0.124 176.357 176.300 0.301 0.000 0.920 262 R CA -0.044 56.163 56.100 0.178 0.000 1.076 262 R CB 0.031 30.364 30.300 0.055 0.000 1.119 262 R HN 0.393 nan 8.270 nan 0.000 0.524 263 R N 1.706 122.299 120.500 0.156 0.000 2.207 263 R HA 0.112 5.424 4.340 1.619 0.000 0.334 263 R C 1.133 177.221 176.300 -0.354 0.000 1.013 263 R CA -0.141 55.915 56.100 -0.073 0.000 0.858 263 R CB 0.937 31.205 30.300 -0.054 0.000 1.094 263 R HN 0.106 nan 8.270 nan 0.000 0.457 264 K N 1.474 121.329 120.400 -0.908 0.000 2.360 264 K HA -0.165 5.127 4.320 1.619 0.000 0.201 264 K C 0.384 176.729 176.600 -0.425 0.000 1.046 264 K CA 1.330 56.898 56.287 -1.198 0.000 0.945 264 K CB 0.188 32.048 32.500 -1.065 0.000 0.750 264 K HN 0.398 nan 8.250 nan 0.000 0.464 265 E N 1.369 121.412 120.200 -0.262 0.000 2.347 265 E HA -0.017 5.305 4.350 1.619 0.000 0.196 265 E C 0.514 177.062 176.600 -0.086 0.000 1.008 265 E CA 0.418 56.734 56.400 -0.140 0.000 0.852 265 E CB 0.234 29.869 29.700 -0.107 0.000 0.783 265 E HN 0.278 nan 8.360 nan 0.000 0.505 266 S N -0.663 114.995 115.700 -0.070 0.000 2.586 266 S HA 0.464 5.906 4.470 1.619 0.000 0.274 266 S C 1.063 175.684 174.600 0.035 0.000 1.281 266 S CA -0.093 58.100 58.200 -0.012 0.000 1.035 266 S CB 1.359 64.548 63.200 -0.019 0.000 0.962 266 S HN 0.172 nan 8.310 nan 0.000 0.512 267 A N 3.432 126.295 122.820 0.072 0.000 2.119 267 A HA 0.297 5.588 4.320 1.619 0.000 0.217 267 A C 1.925 179.567 177.584 0.095 0.000 1.153 267 A CA 1.201 53.293 52.037 0.093 0.000 0.692 267 A CB -0.778 18.285 19.000 0.105 0.000 0.799 267 A HN 1.126 nan 8.150 nan 0.000 0.458 268 A N -1.716 121.110 122.820 0.011 0.000 2.251 268 A HA 0.277 5.568 4.320 1.619 0.000 0.209 268 A C 0.688 178.233 177.584 -0.064 0.000 1.187 268 A CA -0.400 51.560 52.037 -0.128 0.000 0.823 268 A CB -0.553 18.128 19.000 -0.532 0.000 0.846 268 A HN 0.495 nan 8.150 nan 0.000 0.486 269 Y N 0.915 121.144 120.300 -0.119 0.000 2.895 269 Y HA 0.165 5.687 4.550 1.621 0.000 0.334 269 Y C -0.229 175.586 175.900 -0.141 0.000 1.261 269 Y CA 0.262 58.295 58.100 -0.111 0.000 1.560 269 Y CB -0.039 38.373 38.460 -0.080 0.000 1.253 269 Y HN 0.236 nan 8.280 nan 0.000 0.582 270 I N 9.474 129.593 120.570 -0.752 0.000 2.497 270 I HA 0.241 5.383 4.170 1.619 0.000 0.284 270 I C -2.415 173.141 176.117 -0.935 0.000 1.060 270 I CA -2.093 58.748 61.300 -0.766 0.000 1.071 270 I CB 2.119 39.705 38.000 -0.690 0.000 1.216 270 I HN 0.489 nan 8.210 nan 0.000 0.442 271 P HA 0.153 nan 4.420 nan 0.000 0.274 271 P C -0.573 176.533 177.300 -0.324 0.000 1.237 271 P CA -0.112 62.615 63.100 -0.622 0.000 0.793 271 P CB 0.593 32.117 31.700 -0.294 0.000 0.977 272 F N 0.377 120.323 119.950 -0.008 0.000 2.563 272 F HA 0.316 5.815 4.527 1.619 0.000 0.363 272 F C 2.014 177.813 175.800 -0.001 0.000 1.123 272 F CA 1.930 59.937 58.000 0.011 0.000 1.307 272 F CB -0.292 38.721 39.000 0.020 0.000 1.115 272 F HN 0.702 nan 8.300 nan 0.000 0.592 273 G N 1.281 110.176 108.800 0.159 0.000 2.195 273 G HA2 -0.195 4.737 3.960 1.619 0.000 0.224 273 G HA3 -0.195 4.737 3.960 1.619 0.000 0.224 273 G C -0.205 174.722 174.900 0.046 0.000 0.990 273 G CA -0.377 44.775 45.100 0.085 0.000 0.639 273 G HN 0.577 nan 8.290 nan 0.000 0.514 274 E N -0.522 119.699 120.200 0.035 0.000 2.312 274 E HA 0.615 5.936 4.350 1.619 0.000 0.267 274 E C 0.105 176.776 176.600 0.118 0.000 0.894 274 E CA -0.362 56.053 56.400 0.025 0.000 0.773 274 E CB 2.314 31.981 29.700 -0.056 0.000 1.241 274 E HN 1.489 nan 8.360 nan 0.000 0.432 275 G N 1.729 110.616 108.800 0.144 0.000 2.764 275 G HA2 -0.082 4.850 3.960 1.619 0.000 0.678 275 G HA3 -0.082 4.850 3.960 1.619 0.000 0.678 275 G C -0.587 174.472 174.900 0.264 0.000 1.341 275 G CA -0.665 44.634 45.100 0.332 0.000 0.836 275 G HN 0.533 nan 8.290 nan 0.000 0.632 276 D N 0.011 120.609 120.400 0.331 0.000 2.652 276 D HA 0.287 5.898 4.640 1.619 0.000 0.261 276 D C 0.492 176.681 176.300 -0.185 0.000 1.024 276 D CA 1.228 55.298 54.000 0.117 0.000 0.958 276 D CB 0.459 41.549 40.800 0.485 0.000 1.113 276 D HN 0.303 nan 8.370 nan 0.000 0.471 277 F N -1.055 119.118 119.950 0.371 0.000 2.685 277 F HA 0.320 5.835 4.527 1.646 0.000 0.315 277 F C -0.981 174.593 175.800 -0.376 0.000 1.126 277 F CA -1.277 56.773 58.000 0.084 0.000 0.950 277 F CB 1.614 40.462 39.000 -0.253 0.000 1.360 277 F HN -0.272 nan 8.300 nan 0.000 0.469 278 Y N 1.994 121.834 120.300 -0.767 0.000 2.417 278 Y HA 0.482 6.002 4.550 1.616 0.000 0.336 278 Y C -1.100 174.603 175.900 -0.329 0.000 0.961 278 Y CA -0.950 56.674 58.100 -0.794 0.000 1.215 278 Y CB 0.142 37.758 38.460 -1.407 0.000 1.120 278 Y HN 0.406 nan 8.280 nan 0.000 0.499 279 Y N 4.071 124.225 120.300 -0.243 0.000 2.304 279 Y HA 0.160 5.670 4.550 1.601 0.000 0.327 279 Y C 0.442 176.318 175.900 -0.039 0.000 1.209 279 Y CA -0.197 57.895 58.100 -0.014 0.000 1.299 279 Y CB 0.497 39.067 38.460 0.183 0.000 1.249 279 Y HN 0.556 nan 8.280 nan 0.000 0.519 280 H N 1.216 120.424 119.070 0.229 0.000 2.489 280 H HA 0.437 5.955 4.556 1.602 0.000 0.322 280 H C 0.093 175.542 175.328 0.202 0.000 1.091 280 H CA -0.374 55.785 56.048 0.184 0.000 1.291 280 H CB 1.372 31.270 29.762 0.227 0.000 1.436 280 H HN 0.937 nan 8.280 nan 0.000 0.480 281 A N 3.984 126.966 122.820 0.271 0.000 2.238 281 A HA 0.079 5.371 4.320 1.619 0.000 0.208 281 A C 2.010 179.627 177.584 0.055 0.000 1.177 281 A CA 0.798 52.942 52.037 0.178 0.000 0.804 281 A CB -0.357 18.741 19.000 0.164 0.000 0.823 281 A HN 0.786 nan 8.150 nan 0.000 0.482 282 A N -0.337 122.243 122.820 -0.399 0.000 2.066 282 A HA 0.355 5.646 4.320 1.619 0.000 0.218 282 A C 0.754 178.228 177.584 -0.183 0.000 1.157 282 A CA 0.749 52.496 52.037 -0.484 0.000 0.670 282 A CB -0.150 18.196 19.000 -1.090 0.000 0.804 282 A HN 0.450 nan 8.150 nan 0.000 0.453 283 I N -0.591 119.984 120.570 0.008 0.000 2.610 283 I HA 0.504 5.646 4.170 1.619 0.000 0.289 283 I C -1.239 175.134 176.117 0.427 0.000 1.163 283 I CA -0.689 60.706 61.300 0.160 0.000 1.044 283 I CB 2.170 40.270 38.000 0.168 0.000 1.251 283 I HN 0.307 nan 8.210 nan 0.000 0.424 284 F N 3.649 123.792 119.950 0.322 0.000 2.703 284 F HA 0.944 6.437 4.527 1.609 0.000 0.308 284 F C -0.383 175.587 175.800 0.283 0.000 1.126 284 F CA -0.498 57.699 58.000 0.329 0.000 0.959 284 F CB 1.419 40.575 39.000 0.260 0.000 1.297 284 F HN 0.592 nan 8.300 nan 0.000 0.441 285 G N -0.271 108.672 108.800 0.239 0.000 2.494 285 G HA2 0.817 5.749 3.960 1.619 0.000 0.308 285 G HA3 0.817 5.749 3.960 1.619 0.000 0.308 285 G C -0.747 174.069 174.900 -0.140 0.000 1.263 285 G CA -0.119 44.852 45.100 -0.215 0.000 0.840 285 G HN 2.206 nan 8.290 nan 0.000 0.479 286 G N -1.772 106.883 108.800 -0.242 0.000 2.332 286 G HA2 0.578 5.510 3.960 1.619 0.000 0.265 286 G HA3 0.578 5.510 3.960 1.619 0.000 0.265 286 G C 0.016 174.943 174.900 0.044 0.000 1.329 286 G CA 0.907 45.995 45.100 -0.019 0.000 0.949 286 G HN 1.981 nan 8.290 nan 0.000 0.476 287 T N -0.559 114.019 114.554 0.039 0.000 2.868 287 T HA 0.526 5.847 4.350 1.619 0.000 0.292 287 T C -1.319 173.324 174.700 -0.096 0.000 1.028 287 T CA -0.412 61.612 62.100 -0.126 0.000 1.059 287 T CB 1.694 70.461 68.868 -0.170 0.000 0.991 287 T HN 0.200 nan 8.240 nan 0.000 0.531 288 P HA -0.095 nan 4.420 nan 0.000 0.216 288 P C 1.615 178.856 177.300 -0.098 0.000 1.150 288 P CA 1.185 64.213 63.100 -0.121 0.000 0.843 288 P CB -0.193 31.413 31.700 -0.156 0.000 0.787 289 T N -0.793 113.709 114.554 -0.086 0.000 2.737 289 T HA -0.152 5.169 4.350 1.619 0.000 0.265 289 T C 1.819 176.502 174.700 -0.027 0.000 1.038 289 T CA 1.138 63.204 62.100 -0.057 0.000 1.144 289 T CB -0.616 68.225 68.868 -0.044 0.000 0.866 289 T HN 0.141 nan 8.240 nan 0.000 0.434 290 Q N 0.610 120.406 119.800 -0.006 0.000 2.079 290 Q HA -0.015 5.296 4.340 1.619 0.000 0.200 290 Q C 2.657 178.661 176.000 0.007 0.000 0.974 290 Q CA 0.957 56.781 55.803 0.034 0.000 0.840 290 Q CB -0.847 27.936 28.738 0.074 0.000 0.898 290 Q HN 0.406 nan 8.270 nan 0.000 0.430 291 V N 1.298 121.211 119.914 -0.001 0.000 2.515 291 V HA -0.217 4.875 4.120 1.619 0.000 0.250 291 V C 2.311 178.381 176.094 -0.040 0.000 1.058 291 V CA 1.213 63.520 62.300 0.011 0.000 1.064 291 V CB -0.641 31.190 31.823 0.014 0.000 0.675 291 V HN 0.206 nan 8.190 nan 0.000 0.461 292 L N 0.867 122.054 121.223 -0.060 0.000 2.056 292 L HA -0.114 5.197 4.340 1.619 0.000 0.207 292 L C 2.099 178.918 176.870 -0.085 0.000 1.078 292 L CA 2.184 56.979 54.840 -0.076 0.000 0.749 292 L CB -0.861 41.151 42.059 -0.077 0.000 0.901 292 L HN 0.340 nan 8.230 nan 0.000 0.433 293 N N -0.459 118.200 118.700 -0.069 0.000 2.188 293 N HA -0.153 5.559 4.740 1.619 0.000 0.184 293 N C 1.787 177.161 175.510 -0.227 0.000 1.018 293 N CA 1.664 54.683 53.050 -0.051 0.000 0.858 293 N CB -0.206 38.315 38.487 0.056 0.000 0.989 293 N HN 0.465 nan 8.380 nan 0.000 0.426 294 I N -0.175 120.126 120.570 -0.448 0.000 2.142 294 I HA -0.294 4.848 4.170 1.619 0.000 0.240 294 I C 2.243 177.980 176.117 -0.634 0.000 1.078 294 I CA 1.682 62.364 61.300 -1.029 0.000 1.343 294 I CB -0.831 36.684 38.000 -0.808 0.000 1.046 294 I HN 0.359 nan 8.210 nan 0.000 0.405 295 T N -1.599 112.770 114.554 -0.309 0.000 2.821 295 T HA -0.199 5.122 4.350 1.619 0.000 0.267 295 T C 1.812 176.446 174.700 -0.110 0.000 1.046 295 T CA 1.073 63.069 62.100 -0.173 0.000 1.139 295 T CB -0.446 68.383 68.868 -0.066 0.000 0.871 295 T HN 0.374 nan 8.240 nan 0.000 0.454 296 Q N 0.366 120.108 119.800 -0.096 0.000 2.050 296 Q HA -0.099 5.212 4.340 1.619 0.000 0.202 296 Q C 2.659 178.652 176.000 -0.011 0.000 0.980 296 Q CA 1.354 57.142 55.803 -0.024 0.000 0.840 296 Q CB -0.062 28.660 28.738 -0.026 0.000 0.898 296 Q HN 0.493 nan 8.270 nan 0.000 0.424 297 E N 0.037 120.203 120.200 -0.057 0.000 2.051 297 E HA -0.164 5.158 4.350 1.619 0.000 0.192 297 E C 2.114 178.682 176.600 -0.054 0.000 0.991 297 E CA 0.834 57.228 56.400 -0.010 0.000 0.799 297 E CB -0.431 29.349 29.700 0.134 0.000 0.748 297 E HN 0.371 nan 8.360 nan 0.000 0.449 298 C N 0.428 119.648 119.300 -0.134 0.000 2.429 298 C HA -0.119 5.313 4.460 1.619 0.000 0.277 298 C C 2.506 177.399 174.990 -0.163 0.000 1.262 298 C CA 0.339 59.269 59.018 -0.146 0.000 1.733 298 C CB -1.200 26.423 27.740 -0.195 0.000 2.010 298 C HN 0.328 nan 8.230 nan 0.000 0.483 299 F N 1.813 121.630 119.950 -0.223 0.000 2.234 299 F HA -0.059 5.439 4.527 1.618 0.000 0.299 299 F C 2.250 177.935 175.800 -0.192 0.000 1.087 299 F CA 1.451 59.327 58.000 -0.207 0.000 1.340 299 F CB -0.425 38.485 39.000 -0.149 0.000 1.031 299 F HN 0.170 nan 8.300 nan 0.000 0.500 300 K N -0.450 119.854 120.400 -0.159 0.000 2.057 300 K HA -0.111 5.180 4.320 1.619 0.000 0.207 300 K C 2.357 178.794 176.600 -0.272 0.000 1.049 300 K CA 1.236 57.400 56.287 -0.204 0.000 0.931 300 K CB -0.849 31.599 32.500 -0.087 0.000 0.714 300 K HN 0.405 nan 8.250 nan 0.000 0.440 301 G N 1.159 109.798 108.800 -0.269 0.000 2.403 301 G HA2 -0.183 4.749 3.960 1.619 0.000 0.216 301 G HA3 -0.183 4.749 3.960 1.619 0.000 0.216 301 G C 1.486 176.089 174.900 -0.495 0.000 1.154 301 G CA 0.383 45.318 45.100 -0.275 0.000 0.784 301 G HN 0.122 nan 8.290 nan 0.000 0.538 302 I N 0.317 120.433 120.570 -0.757 0.000 2.226 302 I HA -0.107 5.035 4.170 1.619 0.000 0.245 302 I C 2.641 178.475 176.117 -0.473 0.000 1.100 302 I CA 0.674 61.578 61.300 -0.660 0.000 1.374 302 I CB -0.132 37.555 38.000 -0.522 0.000 1.057 302 I HN 0.127 nan 8.210 nan 0.000 0.413 303 L N 0.515 121.369 121.223 -0.614 0.000 2.093 303 L HA -0.200 5.111 4.340 1.619 0.000 0.208 303 L C 2.621 179.326 176.870 -0.276 0.000 1.085 303 L CA 1.268 55.815 54.840 -0.489 0.000 0.755 303 L CB -0.520 41.191 42.059 -0.580 0.000 0.904 303 L HN 0.226 nan 8.230 nan 0.000 0.435 304 K N 0.266 120.525 120.400 -0.235 0.000 2.057 304 K HA -0.218 5.074 4.320 1.619 0.000 0.207 304 K C 1.619 178.157 176.600 -0.103 0.000 1.049 304 K CA 1.819 58.022 56.287 -0.140 0.000 0.931 304 K CB 0.032 32.468 32.500 -0.108 0.000 0.714 304 K HN 0.169 nan 8.250 nan 0.000 0.440 305 D N 0.680 121.025 120.400 -0.091 0.000 2.144 305 D HA -0.124 5.488 4.640 1.619 0.000 0.199 305 D C 1.682 177.941 176.300 -0.067 0.000 0.984 305 D CA 1.174 55.147 54.000 -0.044 0.000 0.834 305 D CB 0.070 40.885 40.800 0.024 0.000 0.955 305 D HN 0.268 nan 8.370 nan 0.000 0.465 306 K N 0.382 120.722 120.400 -0.101 0.000 2.057 306 K HA -0.087 5.205 4.320 1.619 0.000 0.207 306 K C 1.922 178.472 176.600 -0.082 0.000 1.049 306 K CA 0.765 56.995 56.287 -0.095 0.000 0.931 306 K CB 0.095 32.523 32.500 -0.121 0.000 0.714 306 K HN -0.035 nan 8.250 nan 0.000 0.440 307 K N 0.854 121.201 120.400 -0.089 0.000 2.209 307 K HA -0.061 5.231 4.320 1.619 0.000 0.204 307 K C 1.030 177.594 176.600 -0.060 0.000 1.048 307 K CA 0.927 57.171 56.287 -0.072 0.000 0.940 307 K CB -0.170 32.285 32.500 -0.075 0.000 0.729 307 K HN 0.172 nan 8.250 nan 0.000 0.451 308 N N 1.532 120.196 118.700 -0.059 0.000 2.279 308 N HA -0.048 5.664 4.740 1.619 0.000 0.226 308 N C -0.721 174.759 175.510 -0.050 0.000 1.126 308 N CA 0.030 53.050 53.050 -0.051 0.000 0.846 308 N CB 0.198 38.655 38.487 -0.050 0.000 1.050 308 N HN 0.088 nan 8.380 nan 0.000 0.502 309 D N 1.007 121.376 120.400 -0.052 0.000 2.704 309 D HA -0.204 5.408 4.640 1.619 0.000 0.232 309 D C -0.703 175.567 176.300 -0.050 0.000 1.183 309 D CA 0.687 54.657 54.000 -0.050 0.000 0.647 309 D CB -0.948 39.825 40.800 -0.045 0.000 1.013 309 D HN 0.454 nan 8.370 nan 0.000 0.415 310 I N -0.135 120.405 120.570 -0.050 0.000 3.006 310 I HA 0.470 5.612 4.170 1.619 0.000 0.306 310 I C -1.347 174.744 176.117 -0.043 0.000 1.250 310 I CA -0.877 60.393 61.300 -0.049 0.000 0.996 310 I CB 1.986 39.957 38.000 -0.048 0.000 1.261 310 I HN 0.034 nan 8.210 nan 0.000 0.442 311 E N 4.733 124.901 120.200 -0.053 0.000 2.263 311 E HA 0.649 5.970 4.350 1.619 0.000 0.268 311 E C -0.977 175.561 176.600 -0.103 0.000 0.884 311 E CA -0.746 55.627 56.400 -0.045 0.000 0.766 311 E CB 1.960 31.632 29.700 -0.047 0.000 1.196 311 E HN 0.773 nan 8.360 nan 0.000 0.416 312 A N 3.437 126.199 122.820 -0.097 0.000 2.561 312 A HA -0.088 5.204 4.320 1.619 0.000 0.234 312 A C 1.071 178.434 177.584 -0.368 0.000 1.055 312 A CA 0.529 52.438 52.037 -0.214 0.000 0.756 312 A CB 0.536 19.346 19.000 -0.317 0.000 0.986 312 A HN 0.951 nan 8.150 nan 0.000 0.505 313 Q N 0.819 120.427 119.800 -0.320 0.000 2.135 313 Q HA -0.165 5.146 4.340 1.619 0.000 0.204 313 Q C 0.301 175.775 176.000 -0.877 0.000 0.981 313 Q CA 1.969 57.469 55.803 -0.506 0.000 0.856 313 Q CB -0.033 28.506 28.738 -0.333 0.000 0.902 313 Q HN 0.874 nan 8.270 nan 0.000 0.425 314 W N -0.268 120.864 121.300 -0.281 0.000 2.693 314 W HA 0.220 5.859 4.660 1.632 0.000 0.415 314 W C -0.092 176.364 176.519 -0.106 0.000 0.932 314 W CA -0.210 57.045 57.345 -0.150 0.000 2.200 314 W CB 0.304 29.824 29.460 0.101 0.000 1.188 314 W HN 0.363 nan 8.180 nan 0.000 0.665 315 H N -0.708 118.446 119.070 0.140 0.000 1.452 315 H HA -0.380 5.146 4.556 1.617 0.000 0.090 315 H C 1.724 177.184 175.328 0.220 0.000 0.910 315 H CA 1.932 58.059 56.048 0.132 0.000 1.901 315 H CB -1.192 28.620 29.762 0.084 0.000 2.257 315 H HN 0.176 nan 8.280 nan 0.000 0.961 316 D N 0.978 121.591 120.400 0.355 0.000 2.221 316 D HA -0.161 5.451 4.640 1.619 0.000 0.204 316 D C 1.718 178.118 176.300 0.167 0.000 0.982 316 D CA 1.726 55.870 54.000 0.240 0.000 0.857 316 D CB -0.489 40.389 40.800 0.131 0.000 0.934 316 D HN 0.722 nan 8.370 nan 0.000 0.475 317 E N 0.662 120.989 120.200 0.213 0.000 2.107 317 E HA -0.108 5.214 4.350 1.619 0.000 0.191 317 E C 1.802 178.466 176.600 0.107 0.000 0.982 317 E CA 0.788 57.284 56.400 0.160 0.000 0.809 317 E CB 0.191 30.043 29.700 0.254 0.000 0.756 317 E HN 0.110 nan 8.360 nan 0.000 0.459 318 S N 0.000 115.776 115.700 0.127 0.000 2.368 318 S HA -0.136 5.305 4.470 1.619 0.000 0.224 318 S C 1.706 176.235 174.600 -0.119 0.000 1.029 318 S CA 0.880 59.094 58.200 0.022 0.000 0.988 318 S CB -0.357 62.795 63.200 -0.080 0.000 0.838 318 S HN 0.437 nan 8.310 nan 0.000 0.462 319 H N 0.438 119.512 119.070 0.006 0.000 2.389 319 H HA 0.062 5.589 4.556 1.618 0.000 0.299 319 H C 2.206 177.472 175.328 -0.103 0.000 1.081 319 H CA 1.026 57.046 56.048 -0.047 0.000 1.345 319 H CB -0.536 29.192 29.762 -0.056 0.000 1.393 319 H HN 0.218 nan 8.280 nan 0.000 0.520 320 L N 1.553 122.749 121.223 -0.045 0.000 2.017 320 L HA -0.148 5.164 4.340 1.619 0.000 0.208 320 L C 1.886 178.676 176.870 -0.134 0.000 1.073 320 L CA 1.498 56.187 54.840 -0.252 0.000 0.745 320 L CB -0.743 41.136 42.059 -0.301 0.000 0.894 320 L HN 0.131 nan 8.230 nan 0.000 0.432 321 N N -0.217 118.488 118.700 0.010 0.000 2.166 321 N HA -0.231 5.480 4.740 1.619 0.000 0.186 321 N C 1.846 177.361 175.510 0.007 0.000 1.019 321 N CA 1.334 54.460 53.050 0.126 0.000 0.856 321 N CB -0.078 38.446 38.487 0.062 0.000 0.993 321 N HN 0.264 nan 8.380 nan 0.000 0.426 322 K N 0.895 121.247 120.400 -0.081 0.000 2.057 322 K HA -0.143 5.149 4.320 1.619 0.000 0.206 322 K C 2.002 178.562 176.600 -0.066 0.000 1.050 322 K CA 1.006 57.223 56.287 -0.116 0.000 0.935 322 K CB -0.795 31.654 32.500 -0.084 0.000 0.715 322 K HN 0.194 nan 8.250 nan 0.000 0.439 323 Y N -0.026 120.169 120.300 -0.174 0.000 2.114 323 Y HA -0.158 5.361 4.550 1.616 0.000 0.284 323 Y C 1.688 177.491 175.900 -0.162 0.000 1.143 323 Y CA 2.123 60.086 58.100 -0.228 0.000 1.135 323 Y CB -0.484 37.736 38.460 -0.400 0.000 0.980 323 Y HN 0.099 nan 8.280 nan 0.000 0.499 324 F N -0.996 118.960 119.950 0.010 0.000 2.408 324 F HA -0.213 5.288 4.527 1.625 0.000 0.300 324 F C 2.029 177.749 175.800 -0.134 0.000 1.090 324 F CA 0.199 58.121 58.000 -0.130 0.000 1.427 324 F CB -0.086 38.712 39.000 -0.336 0.000 1.070 324 F HN 0.231 nan 8.300 nan 0.000 0.549 325 L N -0.002 121.256 121.223 0.059 0.000 2.095 325 L HA -0.100 5.211 4.340 1.619 0.000 0.204 325 L C 1.852 178.632 176.870 -0.151 0.000 1.080 325 L CA 1.664 56.488 54.840 -0.027 0.000 0.759 325 L CB -0.498 41.507 42.059 -0.090 0.000 0.914 325 L HN 0.056 nan 8.230 nan 0.000 0.439 326 L N -0.664 120.428 121.223 -0.219 0.000 2.068 326 L HA -0.011 5.301 4.340 1.619 0.000 0.204 326 L C 0.315 176.988 176.870 -0.328 0.000 1.076 326 L CA 0.528 55.210 54.840 -0.264 0.000 0.753 326 L CB -0.352 41.534 42.059 -0.289 0.000 0.910 326 L HN 0.245 nan 8.230 nan 0.000 0.439 327 N N 1.576 119.999 118.700 -0.461 0.000 2.816 327 N HA 0.159 5.871 4.740 1.619 0.000 0.236 327 N C -0.850 174.537 175.510 -0.205 0.000 1.076 327 N CA -0.135 52.677 53.050 -0.397 0.000 0.902 327 N CB 0.901 38.985 38.487 -0.670 0.000 1.149 327 N HN 0.171 nan 8.380 nan 0.000 0.506 328 K N 2.254 122.447 120.400 -0.344 0.000 2.472 328 K HA 0.096 5.387 4.320 1.619 0.000 0.280 328 K C -2.034 174.417 176.600 -0.249 0.000 1.028 328 K CA -0.884 55.073 56.287 -0.549 0.000 1.045 328 K CB 0.271 31.896 32.500 -1.458 0.000 0.902 328 K HN 0.307 nan 8.250 nan 0.000 0.478 329 P HA -0.048 nan 4.420 nan 0.000 0.268 329 P C 0.598 178.018 177.300 0.199 0.000 1.205 329 P CA 0.070 63.117 63.100 -0.088 0.000 0.771 329 P CB 0.587 31.957 31.700 -0.551 0.000 0.858 330 T N -0.559 114.089 114.554 0.157 0.000 3.118 330 T HA 0.030 5.351 4.350 1.619 0.000 0.260 330 T C 0.561 175.344 174.700 0.139 0.000 1.139 330 T CA 0.524 62.744 62.100 0.199 0.000 1.085 330 T CB -0.012 68.946 68.868 0.152 0.000 0.934 330 T HN 0.532 nan 8.240 nan 0.000 0.518 331 K N 0.119 120.565 120.400 0.076 0.000 2.569 331 K HA 0.566 5.858 4.320 1.619 0.000 0.259 331 K C -2.109 174.459 176.600 -0.052 0.000 0.932 331 K CA -0.877 55.410 56.287 -0.001 0.000 0.833 331 K CB 1.729 34.224 32.500 -0.008 0.000 1.340 331 K HN 0.183 nan 8.250 nan 0.000 0.429 332 I N 4.743 125.257 120.570 -0.094 0.000 2.608 332 I HA 0.386 5.527 4.170 1.619 0.000 0.295 332 I C -0.599 175.412 176.117 -0.176 0.000 1.049 332 I CA -1.157 60.073 61.300 -0.117 0.000 1.063 332 I CB 1.892 39.802 38.000 -0.149 0.000 1.248 332 I HN 0.415 nan 8.210 nan 0.000 0.424 333 L N 4.088 125.201 121.223 -0.183 0.000 2.322 333 L HA 0.442 5.754 4.340 1.619 0.000 0.279 333 L C 0.620 177.326 176.870 -0.273 0.000 1.036 333 L CA -0.575 54.074 54.840 -0.318 0.000 0.807 333 L CB 1.671 43.482 42.059 -0.414 0.000 1.226 333 L HN 0.697 nan 8.230 nan 0.000 0.433 334 S N 2.443 117.885 115.700 -0.429 0.000 2.596 334 S HA 0.221 5.662 4.470 1.619 0.000 0.260 334 S C -1.554 172.778 174.600 -0.446 0.000 1.336 334 S CA -0.954 56.717 58.200 -0.882 0.000 0.993 334 S CB 0.549 62.573 63.200 -1.961 0.000 0.923 334 S HN 0.579 nan 8.310 nan 0.000 0.567 335 P HA -0.083 nan 4.420 nan 0.000 0.228 335 P C 0.653 177.933 177.300 -0.034 0.000 1.151 335 P CA 0.993 64.025 63.100 -0.113 0.000 0.770 335 P CB -0.122 31.502 31.700 -0.126 0.000 0.786 336 E N -1.149 118.877 120.200 -0.290 0.000 2.338 336 E HA -0.144 5.178 4.350 1.619 0.000 0.197 336 E C 0.862 177.314 176.600 -0.248 0.000 1.007 336 E CA 0.778 56.998 56.400 -0.300 0.000 0.849 336 E CB -0.441 29.035 29.700 -0.374 0.000 0.774 336 E HN 0.442 nan 8.360 nan 0.000 0.506 337 Y N -1.271 118.981 120.300 -0.080 0.000 2.461 337 Y HA 0.181 4.629 4.550 -0.169 0.000 0.277 337 Y C 0.391 176.399 175.900 0.180 0.000 1.182 337 Y CA -0.199 57.905 58.100 0.007 0.000 1.276 337 Y CB 0.888 39.258 38.460 -0.149 0.000 1.087 337 Y HN -0.030 nan 8.280 nan 0.000 0.519 338 C N 1.171 120.662 119.300 0.319 0.000 2.818 338 C HA 0.091 5.523 4.460 1.619 0.000 0.319 338 C C -0.874 174.420 174.990 0.507 0.000 0.841 338 C CA -1.142 58.126 59.018 0.416 0.000 1.039 338 C CB -1.256 26.754 27.740 0.449 0.000 1.580 338 C HN 0.566 nan 8.230 nan 0.000 0.663 339 W N 3.132 124.444 121.300 0.021 0.000 2.438 339 W HA 0.466 6.070 4.660 1.572 0.000 0.324 339 W C -0.647 175.509 176.519 -0.606 0.000 1.119 339 W CA 0.186 57.356 57.345 -0.292 0.000 1.221 339 W CB 1.181 30.378 29.460 -0.439 0.000 1.253 339 W HN 0.621 nan 8.180 nan 0.000 0.555 340 D N 4.542 123.779 120.400 -1.939 0.000 2.473 340 D HA 0.090 5.702 4.640 1.619 0.000 0.226 340 D C 0.529 175.998 176.300 -1.385 0.000 1.089 340 D CA -0.345 52.590 54.000 -1.774 0.000 0.883 340 D CB 0.018 39.478 40.800 -2.234 0.000 1.029 340 D HN 0.348 nan 8.370 nan 0.000 0.517 341 Y N 1.359 121.308 120.300 -0.585 0.000 2.538 341 Y HA -0.232 5.304 4.550 1.644 0.000 0.287 341 Y C 1.869 177.654 175.900 -0.192 0.000 1.157 341 Y CA 0.760 58.735 58.100 -0.208 0.000 1.338 341 Y CB -0.142 38.323 38.460 0.008 0.000 0.970 341 Y HN 0.600 nan 8.280 nan 0.000 0.564 342 H N -0.064 118.874 119.070 -0.219 0.000 2.545 342 H HA -0.059 5.466 4.556 1.616 0.000 0.282 342 H C 1.631 176.828 175.328 -0.220 0.000 1.020 342 H CA 1.173 57.158 56.048 -0.104 0.000 1.243 342 H CB -0.224 29.555 29.762 0.029 0.000 1.377 342 H HN 0.370 nan 8.280 nan 0.000 0.581 343 I N -0.856 119.325 120.570 -0.649 0.000 3.030 343 I HA 0.142 5.284 4.170 1.619 0.000 0.270 343 I C 1.545 177.486 176.117 -0.294 0.000 1.211 343 I CA 0.537 61.359 61.300 -0.797 0.000 1.479 343 I CB 0.032 37.304 38.000 -1.215 0.000 1.105 343 I HN 0.518 nan 8.210 nan 0.000 0.447 344 G N 1.331 110.083 108.800 -0.079 0.000 2.418 344 G HA2 -0.135 4.796 3.960 1.619 0.000 0.206 344 G HA3 -0.135 4.796 3.960 1.619 0.000 0.206 344 G C -1.161 173.956 174.900 0.361 0.000 1.202 344 G CA -0.461 44.699 45.100 0.100 0.000 1.061 344 G HN 0.027 nan 8.290 nan 0.000 0.563 345 L N 1.867 123.232 121.223 0.236 0.000 2.563 345 L HA 0.627 5.939 4.340 1.619 0.000 0.259 345 L C -2.073 174.809 176.870 0.020 0.000 1.034 345 L CA -0.982 53.956 54.840 0.164 0.000 0.899 345 L CB 0.962 43.114 42.059 0.154 0.000 1.159 345 L HN 0.595 nan 8.230 nan 0.000 0.456 346 P HA 0.415 nan 4.420 nan 0.000 0.275 346 P C 0.640 177.898 177.300 -0.070 0.000 1.266 346 P CA -0.129 62.959 63.100 -0.020 0.000 0.793 346 P CB 0.813 32.534 31.700 0.035 0.000 1.074 347 A N 0.101 122.897 122.820 -0.040 0.000 2.019 347 A HA -0.171 5.120 4.320 1.619 0.000 0.219 347 A C 1.659 179.205 177.584 -0.063 0.000 1.164 347 A CA 1.718 53.725 52.037 -0.051 0.000 0.644 347 A CB -1.053 17.924 19.000 -0.038 0.000 0.805 347 A HN 0.515 nan 8.150 nan 0.000 0.449 348 D N 0.028 120.405 120.400 -0.039 0.000 2.144 348 D HA -0.059 5.552 4.640 1.619 0.000 0.200 348 D C 0.548 176.836 176.300 -0.020 0.000 0.978 348 D CA 0.686 54.680 54.000 -0.011 0.000 0.833 348 D CB -0.161 40.726 40.800 0.145 0.000 0.961 348 D HN 0.291 nan 8.370 nan 0.000 0.470 349 I N 2.409 122.844 120.570 -0.225 0.000 2.278 349 I HA 0.018 5.160 4.170 1.619 0.000 0.300 349 I C 1.369 177.339 176.117 -0.245 0.000 1.174 349 I CA -0.124 60.941 61.300 -0.391 0.000 1.347 349 I CB 0.376 37.780 38.000 -0.994 0.000 1.473 349 I HN -0.190 nan 8.210 nan 0.000 0.595 350 K N 3.735 124.063 120.400 -0.119 0.000 2.031 350 K HA 0.044 5.336 4.320 1.619 0.000 0.205 350 K C 0.461 177.007 176.600 -0.089 0.000 1.049 350 K CA 0.940 57.177 56.287 -0.083 0.000 0.939 350 K CB 0.170 32.648 32.500 -0.036 0.000 0.717 350 K HN 0.369 nan 8.250 nan 0.000 0.438 351 L N 0.645 121.802 121.223 -0.110 0.000 2.541 351 L HA 0.242 5.553 4.340 1.619 0.000 0.266 351 L C -1.346 175.431 176.870 -0.155 0.000 0.966 351 L CA -0.514 54.268 54.840 -0.097 0.000 0.871 351 L CB 1.967 43.990 42.059 -0.060 0.000 1.232 351 L HN -0.254 nan 8.230 nan 0.000 0.408 352 V N 5.995 125.842 119.914 -0.112 0.000 2.479 352 V HA 0.160 5.251 4.120 1.619 0.000 0.281 352 V C 0.910 176.954 176.094 -0.084 0.000 1.031 352 V CA -0.050 62.184 62.300 -0.109 0.000 1.038 352 V CB 0.750 32.576 31.823 0.004 0.000 0.981 352 V HN 0.771 nan 8.190 nan 0.000 0.478 353 K N 3.530 123.841 120.400 -0.147 0.000 2.323 353 K HA 0.346 5.638 4.320 1.619 0.000 0.197 353 K C 0.181 176.870 176.600 0.148 0.000 1.043 353 K CA 0.427 56.691 56.287 -0.037 0.000 0.997 353 K CB 0.299 32.687 32.500 -0.188 0.000 0.807 353 K HN 0.653 nan 8.250 nan 0.000 0.497 354 M N -0.029 119.630 119.600 0.098 0.000 2.413 354 M HA 0.287 5.738 4.480 1.619 0.000 0.287 354 M C -1.808 174.554 176.300 0.103 0.000 1.186 354 M CA -0.350 54.986 55.300 0.061 0.000 0.927 354 M CB 2.245 34.838 32.600 -0.011 0.000 1.715 354 M HN 0.018 nan 8.290 nan 0.000 0.478 355 S N 2.020 117.790 115.700 0.116 0.000 2.548 355 S HA 0.804 6.245 4.470 1.619 0.000 0.286 355 S C -1.616 173.148 174.600 0.273 0.000 1.098 355 S CA -0.770 57.512 58.200 0.137 0.000 0.930 355 S CB 0.880 64.156 63.200 0.126 0.000 1.070 355 S HN 0.687 nan 8.310 nan 0.000 0.480 356 W N 1.702 122.984 121.300 -0.031 0.000 2.202 356 W HA 0.396 6.002 4.660 1.577 0.000 0.332 356 W C 0.776 177.294 176.519 -0.001 0.000 1.263 356 W CA -0.750 56.589 57.345 -0.010 0.000 1.223 356 W CB 0.154 29.619 29.460 0.008 0.000 1.128 356 W HN 0.561 nan 8.180 nan 0.000 0.573 357 Q N 1.348 121.250 119.800 0.169 0.000 2.259 357 Q HA 0.206 5.518 4.340 1.619 0.000 0.249 357 Q C 0.091 176.153 176.000 0.103 0.000 0.914 357 Q CA -0.180 55.670 55.803 0.079 0.000 0.904 357 Q CB 1.063 29.709 28.738 -0.153 0.000 1.213 357 Q HN 0.338 nan 8.270 nan 0.000 0.428 358 T N 3.467 118.089 114.554 0.113 0.000 2.934 358 T HA 0.033 5.355 4.350 1.619 0.000 0.306 358 T C 0.373 175.075 174.700 0.003 0.000 1.042 358 T CA -0.252 61.884 62.100 0.060 0.000 1.145 358 T CB 0.330 69.223 68.868 0.041 0.000 0.982 358 T HN 0.094 nan 8.240 nan 0.000 0.544 359 K N 3.276 123.612 120.400 -0.107 0.000 2.436 359 K HA 0.108 5.399 4.320 1.619 0.000 0.275 359 K C 0.570 177.009 176.600 -0.268 0.000 0.999 359 K CA 0.279 56.373 56.287 -0.322 0.000 0.980 359 K CB 0.380 32.471 32.500 -0.681 0.000 0.919 359 K HN 0.692 nan 8.250 nan 0.000 0.484 360 E N 1.934 121.996 120.200 -0.230 0.000 3.843 360 E HA 0.077 5.398 4.350 1.619 0.000 0.189 360 E C 0.277 176.860 176.600 -0.029 0.000 1.013 360 E CA -0.051 56.295 56.400 -0.091 0.000 1.395 360 E CB 0.129 29.845 29.700 0.028 0.000 1.136 360 E HN 0.525 nan 8.360 nan 0.000 0.444 361 Y N 0.399 120.639 120.300 -0.099 0.000 2.139 361 Y HA -0.335 5.185 4.550 1.617 0.000 0.282 361 Y C 2.472 178.307 175.900 -0.109 0.000 1.179 361 Y CA 1.108 59.118 58.100 -0.149 0.000 1.161 361 Y CB -0.155 38.207 38.460 -0.163 0.000 0.970 361 Y HN 0.284 nan 8.280 nan 0.000 0.511 362 N N 0.293 119.045 118.700 0.087 0.000 2.205 362 N HA -0.157 5.554 4.740 1.619 0.000 0.186 362 N C 1.309 176.830 175.510 0.018 0.000 1.015 362 N CA 1.473 54.550 53.050 0.046 0.000 0.862 362 N CB -0.206 38.300 38.487 0.032 0.000 0.986 362 N HN 0.090 nan 8.380 nan 0.000 0.429 363 V N -0.580 119.326 119.914 -0.014 0.000 2.949 363 V HA 0.004 5.095 4.120 1.619 0.000 0.245 363 V C 1.937 177.956 176.094 -0.126 0.000 1.086 363 V CA 1.087 63.356 62.300 -0.051 0.000 1.097 363 V CB 0.359 32.160 31.823 -0.036 0.000 0.762 363 V HN 0.402 nan 8.190 nan 0.000 0.470 364 V N -1.983 117.824 119.914 -0.178 0.000 3.590 364 V HA 0.308 5.400 4.120 1.619 0.000 0.265 364 V C 0.932 177.065 176.094 0.066 0.000 1.239 364 V CA 0.240 62.437 62.300 -0.172 0.000 1.117 364 V CB -0.408 31.137 31.823 -0.464 0.000 0.818 364 V HN 0.369 nan 8.190 nan 0.000 0.451 365 R N 0.843 121.361 120.500 0.030 0.000 2.514 365 R HA 0.497 5.809 4.340 1.619 0.000 0.301 365 R C -0.109 176.229 176.300 0.063 0.000 0.962 365 R CA -0.032 56.085 56.100 0.028 0.000 0.882 365 R CB 1.303 31.460 30.300 -0.239 0.000 1.143 365 R HN 0.318 nan 8.270 nan 0.000 0.452 366 N N 1.016 119.786 118.700 0.117 0.000 2.236 366 N HA -0.006 5.706 4.740 1.619 0.000 0.196 366 N C -0.486 175.099 175.510 0.126 0.000 1.114 366 N CA -0.086 53.025 53.050 0.102 0.000 0.859 366 N CB 0.363 38.898 38.487 0.081 0.000 0.982 366 N HN 0.569 nan 8.380 nan 0.000 0.493 367 N N -0.456 118.371 118.700 0.213 0.000 2.697 367 N HA 0.170 5.881 4.740 1.619 0.000 0.272 367 N C 0.361 176.037 175.510 0.276 0.000 1.381 367 N CA -0.597 52.571 53.050 0.195 0.000 0.797 367 N CB 1.270 39.834 38.487 0.127 0.000 1.523 367 N HN -0.214 nan 8.380 nan 0.000 0.518 368 V N 0.000 120.019 119.914 0.175 0.000 2.409 368 V HA 0.000 5.092 4.120 1.619 0.000 0.244 368 V CA 0.000 62.407 62.300 0.178 0.000 1.235 368 V CB 0.000 31.864 31.823 0.068 0.000 1.184 368 V HN 0.000 nan 8.190 nan 0.000 0.556