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 1o7o_1_A 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 AQWHDQSHLN 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 0.000 176.638 176.600 0.064 0.000 0.988 82 K CA 0.000 56.369 56.287 0.137 0.000 0.838 82 K CB 0.000 32.558 32.500 0.096 0.000 1.064 83 L N 2.015 123.208 121.223 -0.049 0.000 2.397 83 L HA 0.440 4.776 4.340 -0.007 0.000 0.271 83 L C -0.142 176.706 176.870 -0.036 0.000 1.148 83 L CA 0.490 55.178 54.840 -0.254 0.000 0.825 83 L CB 0.615 42.218 42.059 -0.761 0.000 1.117 83 L HN 0.237 nan 8.230 nan 0.000 0.456 84 K N 3.760 124.171 120.400 0.019 0.000 2.207 84 K HA 0.175 4.491 4.320 -0.007 0.000 0.255 84 K C 0.643 177.315 176.600 0.120 0.000 0.941 84 K CA -0.648 55.681 56.287 0.070 0.000 0.825 84 K CB 1.743 34.270 32.500 0.044 0.000 1.119 84 K HN 0.668 nan 8.250 nan 0.000 0.430 85 L N 3.795 125.073 121.223 0.091 0.000 1.997 85 L HA -0.284 4.051 4.340 -0.007 0.000 0.216 85 L C 1.977 178.694 176.870 -0.255 0.000 1.074 85 L CA 2.852 57.655 54.840 -0.062 0.000 0.763 85 L CB -0.897 41.127 42.059 -0.058 0.000 0.890 85 L HN 0.852 nan 8.230 nan 0.000 0.434 86 S N -1.764 113.879 115.700 -0.094 0.000 2.440 86 S HA -0.184 4.281 4.470 -0.007 0.000 0.238 86 S C 1.592 176.159 174.600 -0.055 0.000 1.010 86 S CA 1.131 59.284 58.200 -0.079 0.000 0.972 86 S CB -0.863 62.327 63.200 -0.017 0.000 0.774 86 S HN 0.555 nan 8.310 nan 0.000 0.501 87 D N 0.912 121.315 120.400 0.005 0.000 2.219 87 D HA -0.042 4.593 4.640 -0.007 0.000 0.205 87 D C 1.564 177.968 176.300 0.174 0.000 0.970 87 D CA 1.267 55.318 54.000 0.084 0.000 0.851 87 D CB -0.184 40.678 40.800 0.104 0.000 0.943 87 D HN 0.904 nan 8.370 nan 0.000 0.488 88 W N -1.632 119.708 121.300 0.067 0.000 2.340 88 W HA 0.294 4.950 4.660 -0.007 0.000 0.250 88 W C -0.587 176.062 176.519 0.217 0.000 0.952 88 W CA -0.511 56.903 57.345 0.115 0.000 1.219 88 W CB -0.125 29.392 29.460 0.095 0.000 0.921 88 W HN -0.245 nan 8.180 nan 0.000 0.603 89 F N 4.460 123.848 119.950 -0.937 0.000 2.426 89 F HA 0.499 5.022 4.527 -0.007 0.000 0.348 89 F C -0.632 174.922 175.800 -0.410 0.000 1.124 89 F CA -1.292 56.172 58.000 -0.892 0.000 1.008 89 F CB 0.995 39.083 39.000 -1.521 0.000 1.139 89 F HN -0.234 nan 8.300 nan 0.000 0.452 90 N N 8.380 126.619 118.700 -0.769 0.000 2.626 90 N HA 0.328 5.064 4.740 -0.007 0.000 0.249 90 N C -2.138 172.889 175.510 -0.805 0.000 1.021 90 N CA -2.427 50.285 53.050 -0.563 0.000 0.886 90 N CB 1.716 40.062 38.487 -0.234 0.000 1.149 90 N HN 0.281 nan 8.380 nan 0.000 0.517 91 P HA -0.085 nan 4.420 nan 0.000 0.220 91 P C 1.092 178.063 177.300 -0.549 0.000 1.148 91 P CA 0.905 63.503 63.100 -0.837 0.000 0.803 91 P CB -0.001 31.275 31.700 -0.706 0.000 0.782 92 F N 0.672 120.466 119.950 -0.261 0.000 2.408 92 F HA -0.076 4.447 4.527 -0.008 0.000 0.300 92 F C 2.237 177.933 175.800 -0.174 0.000 1.090 92 F CA 0.764 58.656 58.000 -0.180 0.000 1.427 92 F CB -0.653 38.261 39.000 -0.145 0.000 1.070 92 F HN -0.160 nan 8.300 nan 0.000 0.549 93 K N 0.135 120.491 120.400 -0.075 0.000 2.288 93 K HA 0.014 4.330 4.320 -0.007 0.000 0.201 93 K C 0.540 177.073 176.600 -0.112 0.000 1.048 93 K CA 0.764 56.997 56.287 -0.090 0.000 0.956 93 K CB -0.003 32.421 32.500 -0.127 0.000 0.746 93 K HN 0.100 nan 8.250 nan 0.000 0.461 94 R N 0.827 121.230 120.500 -0.162 0.000 2.629 94 R HA 0.161 4.496 4.340 -0.007 0.000 0.277 94 R C -2.049 174.110 176.300 -0.234 0.000 1.637 94 R CA -1.558 54.416 56.100 -0.210 0.000 1.663 94 R CB 0.722 30.865 30.300 -0.260 0.000 1.228 94 R HN -0.007 nan 8.270 nan 0.000 0.632 95 P HA -0.070 nan 4.420 nan 0.000 0.223 95 P C 0.458 177.676 177.300 -0.138 0.000 1.151 95 P CA 0.845 63.874 63.100 -0.118 0.000 0.787 95 P CB 0.677 32.352 31.700 -0.041 0.000 0.788 96 E N -0.086 120.007 120.200 -0.177 0.000 2.502 96 E HA 0.046 4.392 4.350 -0.007 0.000 0.194 96 E C 0.785 177.251 176.600 -0.223 0.000 1.062 96 E CA -0.036 56.263 56.400 -0.168 0.000 0.867 96 E CB -0.064 29.546 29.700 -0.150 0.000 0.888 96 E HN 0.227 nan 8.360 nan 0.000 0.510 97 V N -3.888 115.815 119.914 -0.351 0.000 3.155 97 V HA 0.501 4.617 4.120 -0.007 0.000 0.313 97 V C 0.150 176.118 176.094 -0.209 0.000 1.162 97 V CA -1.327 60.725 62.300 -0.414 0.000 1.048 97 V CB 1.762 32.850 31.823 -1.226 0.000 1.092 97 V HN -0.322 nan 8.190 nan 0.000 0.447 98 V N 2.114 122.054 119.914 0.043 0.000 2.470 98 V HA 0.302 4.418 4.120 -0.007 0.000 0.276 98 V C 1.448 177.695 176.094 0.256 0.000 1.040 98 V CA 0.927 63.339 62.300 0.187 0.000 1.008 98 V CB 0.404 32.447 31.823 0.368 0.000 0.990 98 V HN 1.209 nan 8.190 nan 0.000 0.477 99 T N 1.203 115.847 114.554 0.150 0.000 3.003 99 T HA 0.406 4.752 4.350 -0.007 0.000 0.261 99 T C 0.277 175.115 174.700 0.230 0.000 1.003 99 T CA -0.157 62.103 62.100 0.266 0.000 0.917 99 T CB 0.416 69.353 68.868 0.116 0.000 1.084 99 T HN 0.321 nan 8.240 nan 0.000 0.522 100 M N 2.750 122.404 119.600 0.090 0.000 2.371 100 M HA 0.408 4.883 4.480 -0.007 0.000 0.287 100 M C -0.432 175.820 176.300 -0.081 0.000 1.149 100 M CA -0.486 54.804 55.300 -0.017 0.000 0.929 100 M CB 2.141 34.730 32.600 -0.018 0.000 1.683 100 M HN 0.314 nan 8.290 nan 0.000 0.470 101 T N -1.275 113.110 114.554 -0.280 0.000 2.824 101 T HA 0.427 4.772 4.350 -0.007 0.000 0.277 101 T C 1.061 175.549 174.700 -0.354 0.000 0.975 101 T CA -0.626 61.195 62.100 -0.466 0.000 0.966 101 T CB 1.120 69.138 68.868 -1.417 0.000 1.054 101 T HN 0.831 nan 8.240 nan 0.000 0.533 102 K N -0.554 119.717 120.400 -0.214 0.000 2.362 102 K HA -0.031 4.285 4.320 -0.007 0.000 0.200 102 K C 1.068 177.753 176.600 0.142 0.000 1.046 102 K CA 0.730 57.038 56.287 0.037 0.000 0.952 102 K CB -0.373 32.229 32.500 0.169 0.000 0.753 102 K HN 0.878 nan 8.250 nan 0.000 0.466 103 W N 1.309 122.672 121.300 0.105 0.000 3.194 103 W HA 0.442 5.098 4.660 -0.008 0.000 0.408 103 W C -0.585 175.976 176.519 0.070 0.000 1.072 103 W CA -0.954 56.440 57.345 0.082 0.000 1.953 103 W CB 0.504 30.015 29.460 0.085 0.000 1.091 103 W HN -0.137 nan 8.180 nan 0.000 0.699 104 K N -0.711 119.639 120.400 -0.083 0.000 3.391 104 K HA -0.227 4.088 4.320 -0.007 0.000 0.307 104 K C 0.293 176.815 176.600 -0.129 0.000 1.304 104 K CA 1.236 57.480 56.287 -0.070 0.000 0.904 104 K CB -2.111 30.413 32.500 0.041 0.000 1.293 104 K HN 0.502 nan 8.250 nan 0.000 0.470 105 A N 2.069 124.687 122.820 -0.337 0.000 2.328 105 A HA 0.510 4.825 4.320 -0.007 0.000 0.284 105 A C -1.903 175.514 177.584 -0.279 0.000 1.160 105 A CA -1.101 50.800 52.037 -0.227 0.000 0.818 105 A CB 0.434 19.346 19.000 -0.146 0.000 1.087 105 A HN -0.038 nan 8.150 nan 0.000 0.504 106 P HA 0.302 nan 4.420 nan 0.000 0.277 106 P C -0.802 176.296 177.300 -0.337 0.000 1.240 106 P CA -0.191 62.595 63.100 -0.523 0.000 0.798 106 P CB 1.320 32.293 31.700 -1.211 0.000 0.979 107 V N 3.423 123.249 119.914 -0.146 0.000 2.313 107 V HA 0.107 4.223 4.120 -0.007 0.000 0.278 107 V C 0.450 176.648 176.094 0.173 0.000 1.017 107 V CA -0.800 61.490 62.300 -0.016 0.000 0.823 107 V CB 1.517 33.418 31.823 0.130 0.000 1.010 107 V HN 0.259 nan 8.190 nan 0.000 0.443 108 V N 5.088 125.012 119.914 0.017 0.000 2.415 108 V HA 0.202 4.317 4.120 -0.007 0.000 0.267 108 V C -0.346 175.880 176.094 0.219 0.000 1.042 108 V CA -0.095 62.344 62.300 0.232 0.000 1.000 108 V CB -0.203 31.651 31.823 0.052 0.000 1.015 108 V HN 0.826 nan 8.190 nan 0.000 0.478 109 W N 2.111 123.635 121.300 0.374 0.000 2.706 109 W HA 0.555 5.211 4.660 -0.007 0.000 0.346 109 W C 0.275 176.975 176.519 0.301 0.000 1.071 109 W CA -0.984 56.522 57.345 0.269 0.000 1.206 109 W CB 1.023 30.557 29.460 0.124 0.000 1.413 109 W HN 0.454 nan 8.180 nan 0.000 0.542 110 E N 0.838 121.309 120.200 0.452 0.000 2.480 110 E HA 0.322 4.667 4.350 -0.007 0.000 0.258 110 E C 1.047 177.696 176.600 0.082 0.000 0.984 110 E CA 1.977 58.534 56.400 0.262 0.000 0.930 110 E CB 0.241 30.016 29.700 0.124 0.000 0.936 110 E HN 0.662 nan 8.360 nan 0.000 0.466 111 G N 2.924 111.624 108.800 -0.166 0.000 2.254 111 G HA2 -0.332 3.624 3.960 -0.007 0.000 0.225 111 G HA3 -0.332 3.624 3.960 -0.007 0.000 0.225 111 G C 1.026 175.819 174.900 -0.179 0.000 1.003 111 G CA 0.770 45.762 45.100 -0.180 0.000 0.622 111 G HN 0.843 nan 8.290 nan 0.000 0.507 112 T N -1.359 113.152 114.554 -0.072 0.000 3.067 112 T HA 0.431 4.776 4.350 -0.007 0.000 0.257 112 T C 0.969 175.692 174.700 0.039 0.000 1.105 112 T CA 1.123 63.157 62.100 -0.110 0.000 1.104 112 T CB -0.130 68.685 68.868 -0.088 0.000 0.925 112 T HN 1.301 nan 8.240 nan 0.000 0.498 113 Y N 0.376 120.827 120.300 0.250 0.000 2.420 113 Y HA 0.728 5.274 4.550 -0.007 0.000 0.334 113 Y C -0.275 175.799 175.900 0.291 0.000 1.094 113 Y CA -2.378 55.971 58.100 0.415 0.000 1.126 113 Y CB 0.759 39.543 38.460 0.539 0.000 1.217 113 Y HN -0.142 nan 8.280 nan 0.000 0.462 114 N N 3.604 122.612 118.700 0.513 0.000 2.817 114 N HA 0.153 4.889 4.740 -0.007 0.000 0.234 114 N C 0.685 176.432 175.510 0.396 0.000 1.066 114 N CA -0.277 52.973 53.050 0.334 0.000 0.926 114 N CB 0.423 39.065 38.487 0.258 0.000 1.176 114 N HN 0.992 nan 8.380 nan 0.000 0.506 115 R N 2.265 123.031 120.500 0.444 0.000 2.120 115 R HA -0.086 4.250 4.340 -0.007 0.000 0.234 115 R C 1.596 178.033 176.300 0.228 0.000 1.123 115 R CA 1.626 57.924 56.100 0.330 0.000 0.975 115 R CB 0.092 30.598 30.300 0.344 0.000 0.866 115 R HN 0.525 nan 8.270 nan 0.000 0.446 116 A N 0.215 123.154 122.820 0.199 0.000 1.883 116 A HA -0.134 4.181 4.320 -0.007 0.000 0.217 116 A C 2.233 179.911 177.584 0.156 0.000 1.186 116 A CA 1.689 53.819 52.037 0.154 0.000 0.624 116 A CB -0.667 18.405 19.000 0.121 0.000 0.822 116 A HN 0.219 nan 8.150 nan 0.000 0.444 117 V N 0.100 120.112 119.914 0.164 0.000 2.343 117 V HA -0.258 3.858 4.120 -0.007 0.000 0.247 117 V C 2.578 178.763 176.094 0.151 0.000 1.051 117 V CA 2.004 64.395 62.300 0.152 0.000 1.036 117 V CB -0.694 31.228 31.823 0.165 0.000 0.654 117 V HN 0.565 nan 8.190 nan 0.000 0.451 118 L N -0.597 120.720 121.223 0.156 0.000 2.056 118 L HA -0.148 4.187 4.340 -0.007 0.000 0.207 118 L C 2.399 179.434 176.870 0.275 0.000 1.078 118 L CA 1.459 56.377 54.840 0.130 0.000 0.749 118 L CB -0.735 41.367 42.059 0.073 0.000 0.901 118 L HN 0.324 nan 8.230 nan 0.000 0.433 119 D N 0.040 120.604 120.400 0.274 0.000 2.104 119 D HA -0.208 4.427 4.640 -0.007 0.000 0.194 119 D C 1.883 178.366 176.300 0.304 0.000 0.994 119 D CA 1.434 55.654 54.000 0.367 0.000 0.830 119 D CB -0.206 40.760 40.800 0.275 0.000 0.959 119 D HN 0.260 nan 8.370 nan 0.000 0.452 120 N N -0.344 118.477 118.700 0.201 0.000 2.084 120 N HA -0.230 4.505 4.740 -0.007 0.000 0.190 120 N C 1.879 177.476 175.510 0.143 0.000 1.030 120 N CA 1.103 54.242 53.050 0.148 0.000 0.849 120 N CB -0.432 38.127 38.487 0.120 0.000 1.012 120 N HN 0.168 nan 8.380 nan 0.000 0.423 121 Y N -0.038 120.259 120.300 -0.005 0.000 2.081 121 Y HA -0.281 4.265 4.550 -0.007 0.000 0.280 121 Y C 1.715 177.539 175.900 -0.127 0.000 1.163 121 Y CA 2.019 60.045 58.100 -0.124 0.000 1.135 121 Y CB -0.799 37.484 38.460 -0.295 0.000 0.970 121 Y HN 0.233 nan 8.280 nan 0.000 0.498 122 Y N -0.569 119.754 120.300 0.039 0.000 2.263 122 Y HA -0.096 4.449 4.550 -0.008 0.000 0.292 122 Y C 2.639 178.563 175.900 0.041 0.000 1.130 122 Y CA 0.735 58.799 58.100 -0.061 0.000 1.179 122 Y CB -0.628 37.786 38.460 -0.076 0.000 0.998 122 Y HN 0.252 nan 8.280 nan 0.000 0.532 123 A N 0.549 123.560 122.820 0.318 0.000 1.933 123 A HA -0.226 4.090 4.320 -0.007 0.000 0.218 123 A C 2.064 179.696 177.584 0.080 0.000 1.175 123 A CA 1.771 53.936 52.037 0.213 0.000 0.628 123 A CB -0.476 18.600 19.000 0.126 0.000 0.814 123 A HN 0.397 nan 8.150 nan 0.000 0.444 124 K N -0.518 119.892 120.400 0.017 0.000 2.209 124 K HA -0.119 4.196 4.320 -0.007 0.000 0.204 124 K C 1.855 178.421 176.600 -0.056 0.000 1.048 124 K CA 1.401 57.670 56.287 -0.031 0.000 0.940 124 K CB -0.101 32.363 32.500 -0.060 0.000 0.729 124 K HN 0.617 nan 8.250 nan 0.000 0.451 125 Q N 0.467 120.216 119.800 -0.085 0.000 2.360 125 Q HA 0.063 4.399 4.340 -0.007 0.000 0.202 125 Q C -0.599 175.411 176.000 0.015 0.000 0.915 125 Q CA 0.047 55.810 55.803 -0.067 0.000 0.943 125 Q CB 0.359 29.022 28.738 -0.125 0.000 1.064 125 Q HN 0.111 nan 8.270 nan 0.000 0.511 126 K N 1.493 121.924 120.400 0.052 0.000 3.419 126 K HA -0.185 4.131 4.320 -0.007 0.000 0.272 126 K C -0.036 176.617 176.600 0.088 0.000 0.973 126 K CA 0.272 56.602 56.287 0.072 0.000 0.749 126 K CB -2.059 30.464 32.500 0.038 0.000 1.403 126 K HN 0.448 nan 8.250 nan 0.000 0.456 127 I N -2.754 117.896 120.570 0.133 0.000 2.886 127 I HA 0.339 4.504 4.170 -0.007 0.000 0.299 127 I C 0.250 176.427 176.117 0.100 0.000 1.044 127 I CA -0.210 61.160 61.300 0.117 0.000 1.310 127 I CB 1.354 39.446 38.000 0.154 0.000 1.441 127 I HN -0.038 nan 8.210 nan 0.000 0.578 128 T N 3.651 118.253 114.554 0.082 0.000 2.886 128 T HA 0.561 4.906 4.350 -0.007 0.000 0.292 128 T C -0.600 174.161 174.700 0.101 0.000 1.012 128 T CA -0.446 61.700 62.100 0.076 0.000 0.982 128 T CB 1.940 70.847 68.868 0.065 0.000 1.018 128 T HN 0.458 nan 8.240 nan 0.000 0.451 129 V N 2.136 122.114 119.914 0.107 0.000 2.495 129 V HA 0.804 4.919 4.120 -0.007 0.000 0.298 129 V C 0.682 176.942 176.094 0.276 0.000 1.031 129 V CA -0.733 61.685 62.300 0.196 0.000 0.871 129 V CB 1.807 33.708 31.823 0.130 0.000 0.988 129 V HN 1.032 nan 8.190 nan 0.000 0.432 130 G N 2.908 111.917 108.800 0.348 0.000 2.434 130 G HA2 0.697 4.653 3.960 -0.007 0.000 0.330 130 G HA3 0.697 4.653 3.960 -0.007 0.000 0.330 130 G C -1.530 173.640 174.900 0.450 0.000 1.155 130 G CA -0.512 44.825 45.100 0.395 0.000 0.917 130 G HN 0.626 nan 8.290 nan 0.000 0.493 131 L N 1.018 122.473 121.223 0.386 0.000 2.516 131 L HA 0.605 4.941 4.340 -0.007 0.000 0.267 131 L C 0.166 177.237 176.870 0.334 0.000 0.957 131 L CA -0.465 54.544 54.840 0.283 0.000 0.860 131 L CB 1.924 44.001 42.059 0.031 0.000 1.265 131 L HN 0.754 nan 8.230 nan 0.000 0.403 132 T N 1.830 116.525 114.554 0.235 0.000 2.867 132 T HA 0.806 5.151 4.350 -0.007 0.000 0.282 132 T C -0.702 174.025 174.700 0.045 0.000 1.000 132 T CA -0.766 61.427 62.100 0.155 0.000 1.042 132 T CB 1.753 70.663 68.868 0.071 0.000 0.973 132 T HN 0.729 nan 8.240 nan 0.000 0.465 133 V N 3.325 123.209 119.914 -0.050 0.000 2.817 133 V HA 0.646 4.762 4.120 -0.007 0.000 0.303 133 V C -1.964 174.045 176.094 -0.140 0.000 1.151 133 V CA -1.051 61.165 62.300 -0.141 0.000 0.929 133 V CB 1.592 33.159 31.823 -0.427 0.000 1.030 133 V HN 0.911 nan 8.190 nan 0.000 0.427 134 F N 4.498 124.339 119.950 -0.182 0.000 2.450 134 F HA 0.881 5.404 4.527 -0.006 0.000 0.332 134 F C 0.547 176.279 175.800 -0.113 0.000 1.093 134 F CA -0.213 57.716 58.000 -0.119 0.000 1.003 134 F CB 2.238 41.167 39.000 -0.118 0.000 1.151 134 F HN 0.684 nan 8.300 nan 0.000 0.474 135 A N 2.764 125.650 122.820 0.111 0.000 2.599 135 A HA 0.689 5.004 4.320 -0.007 0.000 0.281 135 A C -1.775 175.873 177.584 0.107 0.000 1.137 135 A CA -0.518 51.586 52.037 0.110 0.000 0.767 135 A CB 0.483 19.543 19.000 0.099 0.000 1.266 135 A HN 0.484 nan 8.150 nan 0.000 0.420 136 V N 2.240 122.199 119.914 0.075 0.000 2.495 136 V HA 0.849 4.964 4.120 -0.007 0.000 0.298 136 V C 1.001 177.166 176.094 0.119 0.000 1.031 136 V CA 0.697 63.041 62.300 0.074 0.000 0.871 136 V CB 0.796 32.641 31.823 0.036 0.000 0.988 136 V HN 2.244 nan 8.190 nan 0.000 0.432 137 G N 5.153 114.030 108.800 0.129 0.000 2.525 137 G HA2 -0.199 3.756 3.960 -0.007 0.000 0.248 137 G HA3 -0.199 3.756 3.960 -0.007 0.000 0.248 137 G C 0.441 175.452 174.900 0.184 0.000 1.238 137 G CA 0.074 45.267 45.100 0.155 0.000 0.926 137 G HN 0.589 nan 8.290 nan 0.000 0.574 138 R N -0.209 120.401 120.500 0.184 0.000 2.357 138 R HA 0.072 4.408 4.340 -0.007 0.000 0.202 138 R C 2.075 178.440 176.300 0.110 0.000 1.047 138 R CA 1.323 57.498 56.100 0.125 0.000 1.034 138 R CB -0.825 29.507 30.300 0.053 0.000 0.875 138 R HN 0.663 nan 8.270 nan 0.000 0.473 139 Y N 0.453 120.783 120.300 0.049 0.000 2.352 139 Y HA -0.110 4.436 4.550 -0.008 0.000 0.292 139 Y C 2.227 178.180 175.900 0.089 0.000 1.136 139 Y CA 0.754 58.925 58.100 0.117 0.000 1.227 139 Y CB -0.200 38.377 38.460 0.195 0.000 0.991 139 Y HN -0.056 nan 8.280 nan 0.000 0.545 140 I N 0.006 120.705 120.570 0.216 0.000 2.076 140 I HA -0.319 3.846 4.170 -0.007 0.000 0.237 140 I C 1.984 178.135 176.117 0.056 0.000 1.059 140 I CA 1.701 63.075 61.300 0.123 0.000 1.317 140 I CB -0.366 37.688 38.000 0.090 0.000 1.037 140 I HN 0.166 nan 8.210 nan 0.000 0.398 141 E N -0.226 119.990 120.200 0.026 0.000 2.106 141 E HA -0.195 4.150 4.350 -0.007 0.000 0.192 141 E C 2.172 178.678 176.600 -0.157 0.000 0.984 141 E CA 0.984 57.356 56.400 -0.047 0.000 0.806 141 E CB -0.185 29.488 29.700 -0.047 0.000 0.750 141 E HN 0.500 nan 8.360 nan 0.000 0.458 142 H N -1.813 117.061 119.070 -0.328 0.000 2.428 142 H HA -0.016 4.536 4.556 -0.008 0.000 0.296 142 H C 0.876 175.796 175.328 -0.680 0.000 1.062 142 H CA 1.363 57.012 56.048 -0.665 0.000 1.350 142 H CB 0.379 29.416 29.762 -1.207 0.000 1.403 142 H HN 0.332 nan 8.280 nan 0.000 0.533 143 Y N -1.987 118.386 120.300 0.122 0.000 2.435 143 Y HA 0.002 4.548 4.550 -0.008 0.000 0.270 143 Y C 1.994 177.958 175.900 0.107 0.000 1.093 143 Y CA -0.360 57.803 58.100 0.105 0.000 1.226 143 Y CB 0.207 38.729 38.460 0.103 0.000 1.289 143 Y HN -0.068 nan 8.280 nan 0.000 0.529 144 L N 1.416 122.761 121.223 0.204 0.000 2.012 144 L HA -0.193 4.143 4.340 -0.007 0.000 0.210 144 L C 2.490 179.432 176.870 0.120 0.000 1.073 144 L CA 2.042 56.966 54.840 0.140 0.000 0.748 144 L CB -0.547 41.554 42.059 0.070 0.000 0.891 144 L HN 0.262 nan 8.230 nan 0.000 0.431 145 E N -0.048 120.192 120.200 0.067 0.000 2.051 145 E HA -0.270 4.076 4.350 -0.007 0.000 0.192 145 E C 2.013 178.645 176.600 0.054 0.000 0.991 145 E CA 1.859 58.276 56.400 0.027 0.000 0.799 145 E CB -0.141 29.560 29.700 0.002 0.000 0.748 145 E HN 0.672 nan 8.360 nan 0.000 0.449 146 E N -0.557 119.705 120.200 0.102 0.000 2.077 146 E HA -0.175 4.170 4.350 -0.007 0.000 0.193 146 E C 2.007 178.689 176.600 0.136 0.000 0.989 146 E CA 1.165 57.635 56.400 0.117 0.000 0.800 146 E CB -0.314 29.482 29.700 0.159 0.000 0.746 146 E HN 0.251 nan 8.360 nan 0.000 0.452 147 F N 1.330 121.307 119.950 0.045 0.000 2.075 147 F HA -0.192 4.331 4.527 -0.008 0.000 0.297 147 F C 1.954 177.723 175.800 -0.051 0.000 1.113 147 F CA 1.377 59.393 58.000 0.026 0.000 1.218 147 F CB -0.179 38.817 39.000 -0.007 0.000 0.984 147 F HN -0.089 nan 8.300 nan 0.000 0.472 148 L N -0.504 120.712 121.223 -0.010 0.000 2.046 148 L HA -0.236 4.099 4.340 -0.007 0.000 0.208 148 L C 2.345 179.042 176.870 -0.289 0.000 1.077 148 L CA 1.827 56.492 54.840 -0.291 0.000 0.747 148 L CB -1.243 40.692 42.059 -0.208 0.000 0.896 148 L HN 0.170 nan 8.230 nan 0.000 0.432 149 T N -0.724 113.747 114.554 -0.138 0.000 2.788 149 T HA -0.161 4.185 4.350 -0.007 0.000 0.268 149 T C 2.122 176.755 174.700 -0.111 0.000 1.044 149 T CA 1.646 63.688 62.100 -0.097 0.000 1.139 149 T CB -0.179 68.665 68.868 -0.039 0.000 0.867 149 T HN 0.557 nan 8.240 nan 0.000 0.454 150 S N 1.675 117.324 115.700 -0.085 0.000 2.395 150 S HA 0.142 4.608 4.470 -0.007 0.000 0.225 150 S C 2.438 176.933 174.600 -0.175 0.000 1.027 150 S CA 0.722 58.928 58.200 0.011 0.000 0.965 150 S CB -0.520 62.800 63.200 0.200 0.000 0.812 150 S HN 0.466 nan 8.310 nan 0.000 0.482 151 A N 2.757 125.294 122.820 -0.472 0.000 1.902 151 A HA -0.110 4.206 4.320 -0.007 0.000 0.217 151 A C 2.103 179.487 177.584 -0.333 0.000 1.181 151 A CA 1.827 53.304 52.037 -0.932 0.000 0.623 151 A CB -1.338 16.947 19.000 -1.192 0.000 0.818 151 A HN 0.631 nan 8.150 nan 0.000 0.443 152 N N -0.063 118.543 118.700 -0.156 0.000 2.104 152 N HA -0.209 4.527 4.740 -0.007 0.000 0.190 152 N C 1.687 177.167 175.510 -0.050 0.000 1.024 152 N CA 2.168 55.267 53.050 0.082 0.000 0.853 152 N CB -0.263 38.253 38.487 0.048 0.000 1.008 152 N HN 0.566 nan 8.380 nan 0.000 0.424 153 K N -1.612 118.668 120.400 -0.199 0.000 2.167 153 K HA -0.064 4.251 4.320 -0.007 0.000 0.203 153 K C 0.889 177.235 176.600 -0.423 0.000 1.052 153 K CA 0.992 57.070 56.287 -0.348 0.000 0.956 153 K CB 0.039 32.223 32.500 -0.526 0.000 0.735 153 K HN 0.406 nan 8.250 nan 0.000 0.451 154 H N -1.892 117.122 119.070 -0.094 0.000 3.058 154 H HA 0.058 4.609 4.556 -0.007 0.000 0.258 154 H C -0.532 174.754 175.328 -0.069 0.000 1.015 154 H CA -0.307 55.710 56.048 -0.052 0.000 1.210 154 H CB 0.207 29.996 29.762 0.044 0.000 1.481 154 H HN 0.029 nan 8.280 nan 0.000 0.492 155 F N 3.676 123.430 119.950 -0.327 0.000 2.438 155 F HA 0.191 4.713 4.527 -0.008 0.000 0.360 155 F C 0.686 176.459 175.800 -0.044 0.000 1.118 155 F CA -0.632 57.199 58.000 -0.281 0.000 1.164 155 F CB 0.322 38.997 39.000 -0.543 0.000 1.131 155 F HN -0.016 nan 8.300 nan 0.000 0.527 156 M N 5.133 124.454 119.600 -0.465 0.000 2.249 156 M HA -0.189 4.287 4.480 -0.007 0.000 0.198 156 M C -0.529 175.738 176.300 -0.055 0.000 0.394 156 M CA 0.313 55.405 55.300 -0.347 0.000 0.427 156 M CB -2.864 29.367 32.600 -0.615 0.000 1.307 156 M HN 0.161 nan 8.290 nan 0.000 0.924 157 V N 0.285 120.198 119.914 -0.003 0.000 2.673 157 V HA 0.371 4.486 4.120 -0.007 0.000 0.303 157 V C 1.715 177.810 176.094 0.001 0.000 1.046 157 V CA 1.597 63.902 62.300 0.008 0.000 1.126 157 V CB 0.930 32.764 31.823 0.019 0.000 0.934 157 V HN 1.001 nan 8.190 nan 0.000 0.487 158 G N 3.204 111.955 108.800 -0.083 0.000 2.194 158 G HA2 -0.164 3.791 3.960 -0.007 0.000 0.236 158 G HA3 -0.164 3.791 3.960 -0.007 0.000 0.236 158 G C 0.043 174.650 174.900 -0.488 0.000 0.987 158 G CA 0.014 44.965 45.100 -0.247 0.000 0.635 158 G HN 0.774 nan 8.290 nan 0.000 0.520 159 H N 0.071 119.112 119.070 -0.048 0.000 2.768 159 H HA 0.408 4.959 4.556 -0.008 0.000 0.371 159 H C -2.753 172.538 175.328 -0.061 0.000 1.151 159 H CA -1.807 54.213 56.048 -0.048 0.000 1.165 159 H CB 2.131 31.854 29.762 -0.066 0.000 1.722 159 H HN 0.002 nan 8.280 nan 0.000 0.543 160 P HA 0.030 nan 4.420 nan 0.000 0.267 160 P C -0.609 176.683 177.300 -0.013 0.000 1.205 160 P CA 0.119 63.221 63.100 0.004 0.000 0.765 160 P CB 0.633 32.342 31.700 0.015 0.000 0.828 161 V N 5.527 125.383 119.914 -0.097 0.000 2.789 161 V HA 0.461 4.577 4.120 -0.007 0.000 0.311 161 V C -0.029 175.863 176.094 -0.336 0.000 1.073 161 V CA -0.554 61.654 62.300 -0.153 0.000 0.921 161 V CB 2.210 33.936 31.823 -0.162 0.000 1.009 161 V HN 0.349 nan 8.190 nan 0.000 0.426 162 I N 3.936 124.313 120.570 -0.322 0.000 2.418 162 I HA 0.471 4.637 4.170 -0.007 0.000 0.287 162 I C -1.023 174.773 176.117 -0.535 0.000 1.008 162 I CA -0.225 60.800 61.300 -0.459 0.000 1.104 162 I CB 1.670 39.419 38.000 -0.419 0.000 1.264 162 I HN 0.432 nan 8.210 nan 0.000 0.438 163 F N 5.334 125.142 119.950 -0.237 0.000 2.410 163 F HA 0.388 4.911 4.527 -0.007 0.000 0.349 163 F C -0.431 175.260 175.800 -0.183 0.000 1.117 163 F CA -0.729 57.179 58.000 -0.154 0.000 1.104 163 F CB 0.854 39.846 39.000 -0.012 0.000 1.122 163 F HN 0.319 nan 8.300 nan 0.000 0.483 164 Y N 4.457 124.945 120.300 0.314 0.000 2.417 164 Y HA 0.364 4.909 4.550 -0.008 0.000 0.336 164 Y C -0.159 175.799 175.900 0.097 0.000 0.961 164 Y CA -1.048 57.190 58.100 0.231 0.000 1.215 164 Y CB 0.571 39.128 38.460 0.161 0.000 1.120 164 Y HN 0.254 nan 8.280 nan 0.000 0.499 165 I N 4.906 125.623 120.570 0.245 0.000 2.312 165 I HA 0.254 4.419 4.170 -0.007 0.000 0.290 165 I C -0.379 175.742 176.117 0.008 0.000 1.008 165 I CA -1.024 60.318 61.300 0.070 0.000 1.226 165 I CB 0.961 39.002 38.000 0.069 0.000 1.371 165 I HN 0.586 nan 8.210 nan 0.000 0.468 166 M N 7.797 127.262 119.600 -0.226 0.000 2.066 166 M HA 0.437 4.912 4.480 -0.007 0.000 0.340 166 M C -0.262 175.968 176.300 -0.118 0.000 1.053 166 M CA -0.540 54.584 55.300 -0.293 0.000 0.983 166 M CB 1.343 33.365 32.600 -0.963 0.000 1.520 166 M HN 0.432 nan 8.290 nan 0.000 0.428 167 V N 0.360 120.274 119.914 -0.000 0.000 3.040 167 V HA 0.694 4.810 4.120 -0.007 0.000 0.312 167 V C 0.172 176.305 176.094 0.065 0.000 1.115 167 V CA -0.764 61.562 62.300 0.043 0.000 0.998 167 V CB 2.169 34.018 31.823 0.042 0.000 1.042 167 V HN 0.837 nan 8.190 nan 0.000 0.433 168 D N -0.057 120.386 120.400 0.071 0.000 2.348 168 D HA 0.046 4.681 4.640 -0.007 0.000 0.211 168 D C 0.016 176.352 176.300 0.059 0.000 0.998 168 D CA 0.539 54.581 54.000 0.069 0.000 0.873 168 D CB 0.562 41.403 40.800 0.069 0.000 0.925 168 D HN 0.662 nan 8.370 nan 0.000 0.524 169 D N 0.486 120.920 120.400 0.055 0.000 2.336 169 D HA 0.106 4.741 4.640 -0.007 0.000 0.248 169 D C 1.068 177.393 176.300 0.042 0.000 1.326 169 D CA -0.585 53.443 54.000 0.046 0.000 0.973 169 D CB 1.861 42.687 40.800 0.045 0.000 1.255 169 D HN -0.262 nan 8.370 nan 0.000 0.558 170 V N 2.568 122.506 119.914 0.040 0.000 2.594 170 V HA -0.206 3.910 4.120 -0.007 0.000 0.253 170 V C 2.431 178.544 176.094 0.032 0.000 1.069 170 V CA 2.142 64.465 62.300 0.037 0.000 1.082 170 V CB -0.632 31.211 31.823 0.034 0.000 0.680 170 V HN 0.664 nan 8.190 nan 0.000 0.469 171 S N 0.617 116.334 115.700 0.028 0.000 2.474 171 S HA -0.153 4.313 4.470 -0.007 0.000 0.235 171 S C 1.804 176.416 174.600 0.021 0.000 0.997 171 S CA 0.974 59.188 58.200 0.023 0.000 0.949 171 S CB -0.371 62.842 63.200 0.021 0.000 0.766 171 S HN 0.647 nan 8.310 nan 0.000 0.517 172 R N -0.038 120.476 120.500 0.024 0.000 2.359 172 R HA 0.388 4.724 4.340 -0.007 0.000 0.231 172 R C 0.182 176.491 176.300 0.015 0.000 0.913 172 R CA -0.200 55.911 56.100 0.020 0.000 1.075 172 R CB -0.051 30.266 30.300 0.027 0.000 1.087 172 R HN 0.433 nan 8.270 nan 0.000 0.515 173 M N 3.364 122.974 119.600 0.016 0.000 2.307 173 M HA 0.117 4.592 4.480 -0.007 0.000 0.346 173 M C -2.221 174.068 176.300 -0.017 0.000 1.552 173 M CA -1.940 53.362 55.300 0.003 0.000 1.116 173 M CB 0.482 33.093 32.600 0.020 0.000 1.889 173 M HN -0.194 nan 8.290 nan 0.000 0.460 174 P HA 0.130 nan 4.420 nan 0.000 0.281 174 P C -1.287 175.958 177.300 -0.091 0.000 1.286 174 P CA 0.069 63.140 63.100 -0.048 0.000 0.772 174 P CB 0.296 31.971 31.700 -0.042 0.000 0.862 175 L N 5.812 126.997 121.223 -0.063 0.000 2.302 175 L HA 0.349 4.684 4.340 -0.007 0.000 0.285 175 L C 1.066 177.898 176.870 -0.064 0.000 1.090 175 L CA -0.775 54.018 54.840 -0.078 0.000 0.866 175 L CB 0.039 42.109 42.059 0.017 0.000 1.244 175 L HN 0.365 nan 8.230 nan 0.000 0.435 176 I N -0.901 119.603 120.570 -0.110 0.000 2.797 176 I HA 0.431 4.596 4.170 -0.007 0.000 0.310 176 I C 0.154 176.255 176.117 -0.026 0.000 0.990 176 I CA -0.725 60.537 61.300 -0.062 0.000 1.228 176 I CB 1.289 39.244 38.000 -0.075 0.000 1.406 176 I HN 0.483 nan 8.210 nan 0.000 0.534 177 E N 3.488 123.686 120.200 -0.003 0.000 2.289 177 E HA 0.379 4.724 4.350 -0.007 0.000 0.278 177 E C -1.294 175.324 176.600 0.030 0.000 1.032 177 E CA -0.567 55.847 56.400 0.023 0.000 0.854 177 E CB 1.044 30.753 29.700 0.015 0.000 1.046 177 E HN 0.550 nan 8.360 nan 0.000 0.409 178 L N 3.162 124.423 121.223 0.063 0.000 2.344 178 L HA 0.523 4.859 4.340 -0.007 0.000 0.272 178 L C 0.844 177.741 176.870 0.044 0.000 1.035 178 L CA -0.764 54.123 54.840 0.079 0.000 0.807 178 L CB 1.638 43.780 42.059 0.139 0.000 1.237 178 L HN 0.669 nan 8.230 nan 0.000 0.442 179 G N 0.888 109.707 108.800 0.031 0.000 2.532 179 G HA2 0.499 4.455 3.960 -0.007 0.000 0.291 179 G HA3 0.499 4.455 3.960 -0.007 0.000 0.291 179 G C -2.664 172.233 174.900 -0.005 0.000 1.349 179 G CA -1.318 43.786 45.100 0.006 0.000 1.038 179 G HN 0.345 nan 8.290 nan 0.000 0.518 180 P HA 0.159 nan 4.420 nan 0.000 0.262 180 P C 0.483 177.762 177.300 -0.036 0.000 1.182 180 P CA 0.339 63.424 63.100 -0.024 0.000 0.761 180 P CB 0.345 32.030 31.700 -0.025 0.000 0.795 181 L N -0.876 120.321 121.223 -0.042 0.000 4.560 181 L HA -0.273 4.063 4.340 -0.007 0.000 0.415 181 L C 0.213 177.028 176.870 -0.092 0.000 1.123 181 L CA 0.710 55.516 54.840 -0.056 0.000 0.991 181 L CB -1.171 40.856 42.059 -0.053 0.000 2.127 181 L HN 0.492 nan 8.230 nan 0.000 0.765 182 R N 0.160 120.603 120.500 -0.095 0.000 2.637 182 R HA 0.818 5.153 4.340 -0.007 0.000 0.291 182 R C -0.089 176.143 176.300 -0.113 0.000 0.963 182 R CA 0.281 56.273 56.100 -0.180 0.000 0.901 182 R CB 2.125 32.359 30.300 -0.109 0.000 1.160 182 R HN 0.246 nan 8.270 nan 0.000 0.457 183 S N 1.017 116.616 115.700 -0.168 0.000 2.643 183 S HA 0.811 5.277 4.470 -0.007 0.000 0.270 183 S C -1.202 173.421 174.600 0.037 0.000 1.166 183 S CA -0.963 57.218 58.200 -0.032 0.000 0.815 183 S CB 1.264 64.406 63.200 -0.096 0.000 1.139 183 S HN 0.565 nan 8.310 nan 0.000 0.472 184 F N -0.745 119.150 119.950 -0.093 0.000 2.789 184 F HA 0.812 5.336 4.527 -0.004 0.000 0.319 184 F C 0.047 175.802 175.800 -0.075 0.000 1.168 184 F CA -0.852 57.110 58.000 -0.063 0.000 0.934 184 F CB 1.148 40.195 39.000 0.079 0.000 1.375 184 F HN 0.839 nan 8.300 nan 0.000 0.480 185 K N -0.271 120.077 120.400 -0.086 0.000 2.665 185 K HA 0.536 4.851 4.320 -0.007 0.000 0.197 185 K C -0.794 175.653 176.600 -0.255 0.000 1.463 185 K CA 0.427 56.514 56.287 -0.332 0.000 1.107 185 K CB 0.986 33.327 32.500 -0.265 0.000 1.584 185 K HN 0.707 nan 8.250 nan 0.000 0.558 186 V N 2.065 121.952 119.914 -0.044 0.000 3.456 186 V HA -0.182 3.934 4.120 -0.007 0.000 0.495 186 V C -1.262 174.595 176.094 -0.395 0.000 0.682 186 V CA 0.439 62.707 62.300 -0.052 0.000 2.042 186 V CB -1.154 30.739 31.823 0.117 0.000 2.479 186 V HN 0.327 nan 8.190 nan 0.000 0.506 187 F N 2.968 122.934 119.950 0.027 0.000 2.551 187 F HA 0.629 5.151 4.527 -0.007 0.000 0.316 187 F C 0.156 175.964 175.800 0.013 0.000 1.089 187 F CA -0.794 57.223 58.000 0.028 0.000 0.915 187 F CB 2.012 41.040 39.000 0.047 0.000 1.186 187 F HN 0.504 nan 8.300 nan 0.000 0.456 188 K N 4.940 125.467 120.400 0.212 0.000 2.248 188 K HA 0.633 4.948 4.320 -0.007 0.000 0.281 188 K C -0.876 175.809 176.600 0.142 0.000 1.054 188 K CA -0.304 56.063 56.287 0.133 0.000 0.903 188 K CB 0.595 33.151 32.500 0.093 0.000 1.077 188 K HN 0.761 nan 8.250 nan 0.000 0.474 189 I N 0.110 120.747 120.570 0.113 0.000 2.910 189 I HA 0.456 4.621 4.170 -0.007 0.000 0.310 189 I C -0.698 175.471 176.117 0.086 0.000 1.043 189 I CA -1.267 60.099 61.300 0.109 0.000 1.053 189 I CB 1.719 39.796 38.000 0.128 0.000 1.242 189 I HN 0.490 nan 8.210 nan 0.000 0.452 190 K N 4.328 124.772 120.400 0.074 0.000 2.322 190 K HA 0.388 4.704 4.320 -0.007 0.000 0.283 190 K C -2.379 174.255 176.600 0.056 0.000 1.042 190 K CA -1.389 54.931 56.287 0.056 0.000 0.958 190 K CB 0.662 33.187 32.500 0.041 0.000 0.984 190 K HN 0.491 nan 8.250 nan 0.000 0.473 191 P HA 0.134 nan 4.420 nan 0.000 0.287 191 P C -0.980 176.338 177.300 0.030 0.000 1.294 191 P CA -0.348 62.780 63.100 0.045 0.000 0.776 191 P CB 1.087 32.817 31.700 0.049 0.000 0.889 192 E N 2.972 123.182 120.200 0.017 0.000 2.390 192 E HA 0.034 4.379 4.350 -0.007 0.000 0.261 192 E C 0.975 177.576 176.600 0.001 0.000 1.076 192 E CA -0.195 56.205 56.400 -0.000 0.000 0.905 192 E CB 0.829 30.515 29.700 -0.022 0.000 0.984 192 E HN 0.295 nan 8.360 nan 0.000 0.427 193 K N 1.267 121.662 120.400 -0.008 0.000 2.057 193 K HA -0.065 4.251 4.320 -0.007 0.000 0.206 193 K C 0.673 177.268 176.600 -0.008 0.000 1.050 193 K CA 1.195 57.481 56.287 -0.002 0.000 0.935 193 K CB 0.026 32.521 32.500 -0.009 0.000 0.715 193 K HN 0.258 nan 8.250 nan 0.000 0.439 194 R N 0.855 121.319 120.500 -0.061 0.000 2.368 194 R HA 0.091 4.426 4.340 -0.007 0.000 0.302 194 R C 0.991 177.204 176.300 -0.146 0.000 1.002 194 R CA -0.425 55.595 56.100 -0.133 0.000 0.929 194 R CB 0.553 30.705 30.300 -0.246 0.000 1.073 194 R HN 0.358 nan 8.270 nan 0.000 0.464 195 W N 3.188 124.427 121.300 -0.102 0.000 2.364 195 W HA -0.214 4.441 4.660 -0.008 0.000 0.281 195 W C 0.391 176.781 176.519 -0.215 0.000 1.219 195 W CA 0.718 57.976 57.345 -0.144 0.000 1.220 195 W CB -0.326 29.061 29.460 -0.122 0.000 1.127 195 W HN 0.567 nan 8.180 nan 0.000 0.556 196 Q N 1.160 120.293 119.800 -1.113 0.000 2.124 196 Q HA -0.160 4.175 4.340 -0.007 0.000 0.202 196 Q C 1.801 177.506 176.000 -0.491 0.000 0.977 196 Q CA 2.312 57.407 55.803 -1.180 0.000 0.850 196 Q CB -0.523 27.444 28.738 -1.286 0.000 0.901 196 Q HN 0.212 nan 8.270 nan 0.000 0.429 197 D N -0.311 119.892 120.400 -0.328 0.000 2.234 197 D HA -0.018 4.618 4.640 -0.007 0.000 0.205 197 D C 1.734 177.963 176.300 -0.118 0.000 0.962 197 D CA 0.582 54.482 54.000 -0.166 0.000 0.855 197 D CB 0.114 40.843 40.800 -0.118 0.000 0.951 197 D HN 0.273 nan 8.370 nan 0.000 0.500 198 I N 0.450 120.951 120.570 -0.116 0.000 2.179 198 I HA -0.249 3.916 4.170 -0.007 0.000 0.242 198 I C 2.550 178.567 176.117 -0.167 0.000 1.088 198 I CA 0.793 62.032 61.300 -0.102 0.000 1.357 198 I CB -0.195 37.761 38.000 -0.073 0.000 1.051 198 I HN -0.070 nan 8.210 nan 0.000 0.409 199 S N 0.697 116.314 115.700 -0.138 0.000 2.356 199 S HA -0.169 4.297 4.470 -0.007 0.000 0.223 199 S C 2.132 176.647 174.600 -0.141 0.000 1.032 199 S CA 1.418 59.536 58.200 -0.137 0.000 1.005 199 S CB -0.118 63.072 63.200 -0.017 0.000 0.867 199 S HN 0.272 nan 8.310 nan 0.000 0.449 200 M N 0.170 119.715 119.600 -0.092 0.000 2.200 200 M HA 0.017 4.492 4.480 -0.007 0.000 0.265 200 M C 2.110 178.410 176.300 -0.000 0.000 1.066 200 M CA 0.978 56.263 55.300 -0.024 0.000 1.127 200 M CB -0.335 32.265 32.600 0.000 0.000 1.379 200 M HN 0.315 nan 8.290 nan 0.000 0.420 201 M N 0.053 119.626 119.600 -0.045 0.000 2.446 201 M HA -0.126 4.350 4.480 -0.007 0.000 0.263 201 M C 1.897 178.033 176.300 -0.274 0.000 1.066 201 M CA 1.478 56.724 55.300 -0.090 0.000 1.087 201 M CB -0.985 31.576 32.600 -0.066 0.000 1.406 201 M HN 0.254 nan 8.290 nan 0.000 0.459 202 R N -0.705 119.551 120.500 -0.407 0.000 2.105 202 R HA -0.156 4.179 4.340 -0.007 0.000 0.239 202 R C 2.087 178.205 176.300 -0.304 0.000 1.135 202 R CA 1.167 56.849 56.100 -0.698 0.000 0.967 202 R CB -0.249 29.432 30.300 -1.032 0.000 0.861 202 R HN 0.322 nan 8.270 nan 0.000 0.442 203 M N 0.753 120.225 119.600 -0.214 0.000 2.108 203 M HA -0.183 4.293 4.480 -0.007 0.000 0.261 203 M C 2.194 178.315 176.300 -0.298 0.000 1.066 203 M CA 1.636 56.849 55.300 -0.145 0.000 1.107 203 M CB -0.777 31.804 32.600 -0.032 0.000 1.356 203 M HN 0.083 nan 8.290 nan 0.000 0.406 204 K N -0.205 119.781 120.400 -0.689 0.000 2.001 204 K HA -0.125 4.191 4.320 -0.007 0.000 0.208 204 K C 1.884 178.259 176.600 -0.375 0.000 1.048 204 K CA 1.906 57.670 56.287 -0.872 0.000 0.932 204 K CB -0.033 31.543 32.500 -1.539 0.000 0.715 204 K HN 0.229 nan 8.250 nan 0.000 0.437 205 T N 1.794 116.217 114.554 -0.217 0.000 2.684 205 T HA -0.145 4.200 4.350 -0.007 0.000 0.267 205 T C 1.886 176.654 174.700 0.114 0.000 1.036 205 T CA 1.708 63.826 62.100 0.031 0.000 1.148 205 T CB -0.219 68.803 68.868 0.257 0.000 0.863 205 T HN 0.201 nan 8.240 nan 0.000 0.436 206 I N 1.182 121.814 120.570 0.103 0.000 2.208 206 I HA -0.146 4.020 4.170 -0.007 0.000 0.245 206 I C 2.894 178.982 176.117 -0.049 0.000 1.097 206 I CA 1.379 62.711 61.300 0.053 0.000 1.363 206 I CB -0.754 37.292 38.000 0.077 0.000 1.051 206 I HN 0.328 nan 8.210 nan 0.000 0.413 207 G N 0.330 109.077 108.800 -0.088 0.000 2.446 207 G HA2 -0.237 3.718 3.960 -0.007 0.000 0.217 207 G HA3 -0.237 3.718 3.960 -0.007 0.000 0.217 207 G C 1.492 176.303 174.900 -0.149 0.000 1.168 207 G CA 0.712 45.739 45.100 -0.122 0.000 0.771 207 G HN 0.435 nan 8.290 nan 0.000 0.551 208 E N -0.179 119.923 120.200 -0.164 0.000 2.058 208 E HA -0.149 4.197 4.350 -0.007 0.000 0.194 208 E C 2.264 178.678 176.600 -0.310 0.000 0.997 208 E CA 0.986 57.253 56.400 -0.223 0.000 0.801 208 E CB -0.269 29.280 29.700 -0.252 0.000 0.746 208 E HN 0.515 nan 8.360 nan 0.000 0.450 209 H N -0.096 118.793 119.070 -0.302 0.000 2.423 209 H HA -0.070 4.481 4.556 -0.008 0.000 0.297 209 H C 2.196 177.143 175.328 -0.635 0.000 1.075 209 H CA 0.856 56.613 56.048 -0.485 0.000 1.342 209 H CB 0.130 29.559 29.762 -0.555 0.000 1.395 209 H HN 0.115 nan 8.280 nan 0.000 0.530 210 I N 0.182 120.551 120.570 -0.335 0.000 2.179 210 I HA -0.212 3.953 4.170 -0.007 0.000 0.242 210 I C 2.600 178.530 176.117 -0.313 0.000 1.088 210 I CA 0.771 61.869 61.300 -0.337 0.000 1.357 210 I CB -0.674 37.194 38.000 -0.219 0.000 1.051 210 I HN -0.023 nan 8.210 nan 0.000 0.409 211 V N 0.559 120.329 119.914 -0.240 0.000 2.358 211 V HA -0.242 3.873 4.120 -0.007 0.000 0.246 211 V C 2.634 178.641 176.094 -0.146 0.000 1.047 211 V CA 1.747 63.935 62.300 -0.186 0.000 1.035 211 V CB -1.286 30.458 31.823 -0.132 0.000 0.658 211 V HN 0.480 nan 8.190 nan 0.000 0.452 212 A N 0.134 122.862 122.820 -0.152 0.000 1.930 212 A HA -0.188 4.127 4.320 -0.007 0.000 0.217 212 A C 1.883 179.549 177.584 0.137 0.000 1.175 212 A CA 2.554 54.577 52.037 -0.024 0.000 0.627 212 A CB -0.360 18.610 19.000 -0.050 0.000 0.815 212 A HN 0.979 nan 8.150 nan 0.000 0.443 213 H N -5.597 113.463 119.070 -0.016 0.000 2.721 213 H HA 0.264 4.816 4.556 -0.007 0.000 0.184 213 H C 1.356 176.692 175.328 0.013 0.000 0.894 213 H CA 0.151 56.251 56.048 0.087 0.000 0.856 213 H CB -0.520 29.317 29.762 0.126 0.000 0.988 213 H HN 0.154 nan 8.280 nan 0.000 0.520 214 I N 2.426 122.626 120.570 -0.617 0.000 2.264 214 I HA -0.291 3.874 4.170 -0.007 0.000 0.248 214 I C 2.610 178.617 176.117 -0.182 0.000 1.111 214 I CA 2.225 63.313 61.300 -0.353 0.000 1.382 214 I CB -0.392 37.263 38.000 -0.574 0.000 1.060 214 I HN 0.527 nan 8.210 nan 0.000 0.418 215 Q N 0.392 120.011 119.800 -0.301 0.000 2.234 215 Q HA -0.228 4.108 4.340 -0.007 0.000 0.206 215 Q C 1.586 177.421 176.000 -0.276 0.000 0.980 215 Q CA 1.592 57.203 55.803 -0.320 0.000 0.869 215 Q CB -0.384 28.086 28.738 -0.446 0.000 0.912 215 Q HN 0.587 nan 8.270 nan 0.000 0.436 216 H N 0.027 119.094 119.070 -0.006 0.000 2.553 216 H HA 0.184 4.737 4.556 -0.006 0.000 0.265 216 H C 0.679 176.039 175.328 0.054 0.000 0.964 216 H CA 0.844 56.906 56.048 0.023 0.000 1.156 216 H CB 0.584 30.370 29.762 0.039 0.000 1.411 216 H HN 0.587 nan 8.280 nan 0.000 0.558 217 E N 0.536 120.839 120.200 0.171 0.000 2.372 217 E HA 0.106 4.452 4.350 -0.007 0.000 0.201 217 E C 0.536 177.221 176.600 0.142 0.000 0.938 217 E CA 0.117 56.629 56.400 0.186 0.000 0.944 217 E CB 1.321 31.205 29.700 0.306 0.000 0.937 217 E HN 0.122 nan 8.360 nan 0.000 0.495 218 V N -2.035 117.940 119.914 0.102 0.000 3.130 218 V HA 0.348 4.464 4.120 -0.007 0.000 0.310 218 V C -0.318 175.757 176.094 -0.033 0.000 1.158 218 V CA -0.858 61.487 62.300 0.074 0.000 1.029 218 V CB 2.263 34.175 31.823 0.150 0.000 1.057 218 V HN -0.170 nan 8.190 nan 0.000 0.436 219 D N 0.358 120.710 120.400 -0.079 0.000 2.277 219 D HA 0.248 4.883 4.640 -0.007 0.000 0.209 219 D C -0.299 175.588 176.300 -0.689 0.000 0.970 219 D CA 1.513 55.310 54.000 -0.338 0.000 0.874 219 D CB 0.579 41.217 40.800 -0.271 0.000 0.982 219 D HN 0.510 nan 8.370 nan 0.000 0.504 220 F N 0.008 119.941 119.950 -0.029 0.000 2.599 220 F HA 0.459 4.982 4.527 -0.007 0.000 0.311 220 F C -0.653 175.142 175.800 -0.008 0.000 1.076 220 F CA -1.183 56.777 58.000 -0.066 0.000 0.937 220 F CB 2.265 41.189 39.000 -0.126 0.000 1.282 220 F HN -0.332 nan 8.300 nan 0.000 0.460 221 L N 1.905 123.197 121.223 0.115 0.000 2.422 221 L HA 0.726 5.062 4.340 -0.007 0.000 0.264 221 L C -2.100 174.735 176.870 -0.058 0.000 0.984 221 L CA -0.441 54.467 54.840 0.113 0.000 0.819 221 L CB 1.755 43.849 42.059 0.058 0.000 1.330 221 L HN 0.470 nan 8.230 nan 0.000 0.410 222 F N 3.410 123.465 119.950 0.174 0.000 2.532 222 F HA 0.617 5.140 4.527 -0.008 0.000 0.321 222 F C -0.313 175.427 175.800 -0.101 0.000 1.089 222 F CA -0.401 57.638 58.000 0.066 0.000 0.926 222 F CB 1.893 41.004 39.000 0.185 0.000 1.168 222 F HN 0.631 nan 8.300 nan 0.000 0.459 223 C N 6.667 125.862 119.300 -0.174 0.000 2.319 223 C HA 0.847 5.302 4.460 -0.007 0.000 0.323 223 C C -0.764 174.028 174.990 -0.329 0.000 1.277 223 C CA -0.590 58.196 59.018 -0.386 0.000 1.517 223 C CB -0.753 26.419 27.740 -0.947 0.000 2.206 223 C HN 0.824 nan 8.230 nan 0.000 0.486 224 M N 3.995 123.504 119.600 -0.151 0.000 2.619 224 M HA 0.405 4.880 4.480 -0.007 0.000 0.297 224 M C -0.817 175.355 176.300 -0.214 0.000 1.229 224 M CA -0.427 54.784 55.300 -0.148 0.000 0.860 224 M CB 1.874 34.444 32.600 -0.049 0.000 1.741 224 M HN 0.574 nan 8.290 nan 0.000 0.462 225 D N 0.767 121.030 120.400 -0.227 0.000 2.357 225 D HA 0.088 4.724 4.640 -0.007 0.000 0.242 225 D C 0.429 176.490 176.300 -0.398 0.000 1.153 225 D CA -0.025 53.829 54.000 -0.243 0.000 0.918 225 D CB 1.650 42.308 40.800 -0.236 0.000 1.181 225 D HN 0.329 nan 8.370 nan 0.000 0.435 226 V N 1.133 120.842 119.914 -0.341 0.000 3.174 226 V HA -0.068 4.047 4.120 -0.007 0.000 0.254 226 V C 0.419 176.391 176.094 -0.204 0.000 1.120 226 V CA 0.643 62.677 62.300 -0.444 0.000 1.114 226 V CB -0.189 31.531 31.823 -0.173 0.000 0.756 226 V HN 0.555 nan 8.190 nan 0.000 0.467 227 D N 2.012 122.237 120.400 -0.291 0.000 2.982 227 D HA 0.069 4.704 4.640 -0.007 0.000 0.238 227 D C 0.224 176.323 176.300 -0.335 0.000 1.168 227 D CA -0.043 53.563 54.000 -0.658 0.000 0.947 227 D CB -0.254 40.056 40.800 -0.816 0.000 1.147 227 D HN 0.790 nan 8.370 nan 0.000 0.450 228 Q N -1.590 118.159 119.800 -0.086 0.000 2.687 228 Q HA 0.548 4.883 4.340 -0.007 0.000 0.295 228 Q C -1.518 174.559 176.000 0.128 0.000 0.920 228 Q CA -1.245 54.572 55.803 0.024 0.000 0.766 228 Q CB 1.799 30.511 28.738 -0.043 0.000 1.467 228 Q HN 0.040 nan 8.270 nan 0.000 0.415 229 V N -1.962 117.991 119.914 0.065 0.000 2.841 229 V HA 0.666 4.781 4.120 -0.007 0.000 0.310 229 V C -1.036 175.045 176.094 -0.021 0.000 1.090 229 V CA -0.925 61.408 62.300 0.055 0.000 0.930 229 V CB 1.371 33.281 31.823 0.145 0.000 1.014 229 V HN 0.738 nan 8.190 nan 0.000 0.425 230 F N 2.868 122.803 119.950 -0.024 0.000 2.484 230 F HA 0.457 4.980 4.527 -0.007 0.000 0.360 230 F C 1.532 177.345 175.800 0.021 0.000 1.101 230 F CA 0.263 58.272 58.000 0.014 0.000 1.251 230 F CB 1.139 40.168 39.000 0.049 0.000 1.132 230 F HN 0.574 nan 8.300 nan 0.000 0.570 231 Q N 0.719 120.542 119.800 0.039 0.000 2.353 231 Q HA 0.173 4.508 4.340 -0.007 0.000 0.240 231 Q C -0.176 175.547 176.000 -0.462 0.000 0.868 231 Q CA 0.479 56.231 55.803 -0.084 0.000 0.944 231 Q CB 0.945 29.721 28.738 0.063 0.000 1.104 231 Q HN 0.667 nan 8.270 nan 0.000 0.531 232 D N -0.540 119.513 120.400 -0.578 0.000 2.768 232 D HA 0.129 4.765 4.640 -0.007 0.000 0.327 232 D C -0.918 175.286 176.300 -0.161 0.000 1.302 232 D CA -0.500 53.195 54.000 -0.508 0.000 0.897 232 D CB 1.346 42.056 40.800 -0.149 0.000 1.420 232 D HN -0.330 nan 8.370 nan 0.000 0.494 233 K N 1.048 121.495 120.400 0.077 0.000 2.437 233 K HA 0.031 4.347 4.320 -0.007 0.000 0.277 233 K C -0.235 176.488 176.600 0.204 0.000 1.073 233 K CA 0.400 56.803 56.287 0.193 0.000 1.105 233 K CB -0.511 32.086 32.500 0.161 0.000 0.881 233 K HN 0.298 nan 8.250 nan 0.000 0.475 234 F N 2.753 122.785 119.950 0.137 0.000 2.366 234 F HA 0.317 4.839 4.527 -0.007 0.000 0.357 234 F C 0.688 176.474 175.800 -0.024 0.000 1.107 234 F CA -0.488 57.627 58.000 0.192 0.000 1.208 234 F CB 0.570 39.848 39.000 0.462 0.000 1.464 234 F HN 0.558 nan 8.300 nan 0.000 0.501 235 G N 1.377 110.179 108.800 0.003 0.000 2.702 235 G HA2 0.299 4.254 3.960 -0.007 0.000 0.254 235 G HA3 0.299 4.254 3.960 -0.007 0.000 0.254 235 G C 0.885 175.635 174.900 -0.251 0.000 1.380 235 G CA -0.106 44.924 45.100 -0.116 0.000 1.042 235 G HN 0.520 nan 8.290 nan 0.000 0.557 236 V N -0.685 119.063 119.914 -0.278 0.000 2.982 236 V HA -0.114 4.002 4.120 -0.007 0.000 0.265 236 V C 2.199 178.041 176.094 -0.420 0.000 1.122 236 V CA 2.373 64.421 62.300 -0.419 0.000 1.143 236 V CB -0.764 30.838 31.823 -0.369 0.000 0.726 236 V HN 0.743 nan 8.190 nan 0.000 0.507 237 E N 2.586 122.548 120.200 -0.397 0.000 2.409 237 E HA -0.188 4.158 4.350 -0.007 0.000 0.198 237 E C 1.806 178.086 176.600 -0.533 0.000 1.024 237 E CA 1.608 57.704 56.400 -0.506 0.000 0.861 237 E CB -0.787 28.607 29.700 -0.511 0.000 0.788 237 E HN 0.827 nan 8.360 nan 0.000 0.521 238 T N -1.241 113.029 114.554 -0.473 0.000 3.060 238 T HA 0.250 4.595 4.350 -0.007 0.000 0.249 238 T C 1.117 175.729 174.700 -0.147 0.000 1.079 238 T CA -0.377 61.500 62.100 -0.372 0.000 1.013 238 T CB -0.218 68.376 68.868 -0.455 0.000 0.975 238 T HN 0.004 nan 8.240 nan 0.000 0.518 239 L N 1.575 122.574 121.223 -0.374 0.000 2.439 239 L HA 0.641 4.976 4.340 -0.007 0.000 0.269 239 L C 0.944 177.507 176.870 -0.510 0.000 1.179 239 L CA -0.001 54.463 54.840 -0.627 0.000 0.828 239 L CB 0.573 41.861 42.059 -1.285 0.000 1.106 239 L HN 0.492 nan 8.230 nan 0.000 0.467 240 G N 0.849 109.408 108.800 -0.402 0.000 2.356 240 G HA2 0.128 4.083 3.960 -0.007 0.000 0.294 240 G HA3 0.128 4.083 3.960 -0.007 0.000 0.294 240 G C -0.097 174.915 174.900 0.188 0.000 1.423 240 G CA -0.478 44.595 45.100 -0.046 0.000 0.806 240 G HN 0.438 nan 8.290 nan 0.000 0.527 241 E N -0.338 119.985 120.200 0.205 0.000 2.049 241 E HA -0.079 4.266 4.350 -0.007 0.000 0.198 241 E C 1.328 178.016 176.600 0.146 0.000 1.007 241 E CA 2.005 58.517 56.400 0.188 0.000 0.809 241 E CB -0.189 29.599 29.700 0.147 0.000 0.749 241 E HN 0.714 nan 8.360 nan 0.000 0.450 242 S N -0.389 115.387 115.700 0.127 0.000 2.677 242 S HA 0.526 4.991 4.470 -0.007 0.000 0.283 242 S C -0.580 174.061 174.600 0.069 0.000 1.159 242 S CA -0.976 57.315 58.200 0.152 0.000 1.001 242 S CB 2.051 65.399 63.200 0.246 0.000 1.032 242 S HN -0.095 nan 8.310 nan 0.000 0.487 243 V N 2.143 122.093 119.914 0.060 0.000 2.448 243 V HA 0.891 5.007 4.120 -0.007 0.000 0.295 243 V C 0.307 176.404 176.094 0.005 0.000 1.025 243 V CA -0.469 61.834 62.300 0.006 0.000 0.859 243 V CB 1.209 33.068 31.823 0.061 0.000 0.988 243 V HN 1.222 nan 8.190 nan 0.000 0.431 244 A N 3.728 126.399 122.820 -0.249 0.000 2.354 244 A HA 0.900 5.215 4.320 -0.007 0.000 0.321 244 A C -0.758 176.825 177.584 -0.002 0.000 1.125 244 A CA -0.706 51.131 52.037 -0.333 0.000 0.799 244 A CB 1.877 20.083 19.000 -1.324 0.000 1.293 244 A HN 0.757 nan 8.150 nan 0.000 0.452 245 Q N 0.855 120.770 119.800 0.193 0.000 2.333 245 Q HA 0.613 4.949 4.340 -0.007 0.000 0.267 245 Q C -1.602 174.591 176.000 0.321 0.000 1.012 245 Q CA -0.212 55.734 55.803 0.238 0.000 0.824 245 Q CB 1.130 30.043 28.738 0.293 0.000 1.290 245 Q HN 0.640 nan 8.270 nan 0.000 0.449 246 L N 3.400 124.747 121.223 0.206 0.000 2.360 246 L HA 0.262 4.598 4.340 -0.007 0.000 0.276 246 L C 0.501 177.553 176.870 0.303 0.000 1.121 246 L CA -0.372 54.593 54.840 0.209 0.000 0.845 246 L CB 0.978 43.099 42.059 0.104 0.000 1.143 246 L HN 0.582 nan 8.230 nan 0.000 0.452 247 Q N 2.105 122.105 119.800 0.334 0.000 2.286 247 Q HA 0.073 4.409 4.340 -0.007 0.000 0.267 247 Q C 0.864 177.128 176.000 0.441 0.000 1.028 247 Q CA 0.205 56.228 55.803 0.367 0.000 0.901 247 Q CB 1.670 30.618 28.738 0.351 0.000 1.183 247 Q HN 0.849 nan 8.270 nan 0.000 0.392 248 A N 4.367 127.411 122.820 0.372 0.000 1.971 248 A HA -0.214 4.101 4.320 -0.007 0.000 0.222 248 A C 1.223 178.831 177.584 0.040 0.000 1.182 248 A CA 1.665 53.778 52.037 0.128 0.000 0.649 248 A CB -0.638 18.089 19.000 -0.455 0.000 0.818 248 A HN 0.911 nan 8.150 nan 0.000 0.458 249 W N -2.833 118.436 121.300 -0.052 0.000 2.770 249 W HA 0.154 4.809 4.660 -0.008 0.000 0.256 249 W C 1.144 177.399 176.519 -0.440 0.000 1.291 249 W CA 0.097 57.247 57.345 -0.325 0.000 1.396 249 W CB -0.242 28.894 29.460 -0.540 0.000 1.114 249 W HN 0.522 nan 8.180 nan 0.000 0.637 250 W N -1.568 119.924 121.300 0.320 0.000 2.702 250 W HA 0.167 4.822 4.660 -0.008 0.000 0.369 250 W C 1.644 178.338 176.519 0.291 0.000 0.987 250 W CA -0.731 56.757 57.345 0.237 0.000 1.702 250 W CB -1.150 28.363 29.460 0.089 0.000 1.138 250 W HN -0.001 nan 8.180 nan 0.000 0.552 251 Y N 0.482 121.026 120.300 0.407 0.000 2.465 251 Y HA -0.018 4.527 4.550 -0.007 0.000 0.289 251 Y C 1.510 177.663 175.900 0.422 0.000 1.150 251 Y CA 1.358 59.705 58.100 0.411 0.000 1.293 251 Y CB -0.478 38.196 38.460 0.357 0.000 0.977 251 Y HN -0.116 nan 8.280 nan 0.000 0.556 252 K N 0.636 120.893 120.400 -0.240 0.000 2.353 252 K HA 0.402 4.717 4.320 -0.007 0.000 0.195 252 K C 0.823 177.459 176.600 0.060 0.000 1.031 252 K CA 0.256 56.437 56.287 -0.176 0.000 1.079 252 K CB 0.425 32.676 32.500 -0.416 0.000 0.857 252 K HN 0.308 nan 8.250 nan 0.000 0.535 253 A N 1.578 124.539 122.820 0.236 0.000 2.296 253 A HA 0.152 4.467 4.320 -0.007 0.000 0.264 253 A C -0.365 177.284 177.584 0.109 0.000 1.097 253 A CA -0.335 51.856 52.037 0.258 0.000 0.811 253 A CB 0.327 19.645 19.000 0.531 0.000 1.072 253 A HN 0.034 nan 8.150 nan 0.000 0.495 254 D N 0.462 120.790 120.400 -0.120 0.000 2.225 254 D HA 0.303 4.938 4.640 -0.007 0.000 0.249 254 D C -1.703 174.030 176.300 -0.945 0.000 1.052 254 D CA -1.281 52.511 54.000 -0.347 0.000 0.909 254 D CB 1.050 41.737 40.800 -0.187 0.000 1.186 254 D HN 0.126 nan 8.370 nan 0.000 0.431 255 P HA -0.162 nan 4.420 nan 0.000 0.216 255 P C 0.777 177.633 177.300 -0.740 0.000 1.154 255 P CA 1.178 63.496 63.100 -1.303 0.000 0.865 255 P CB 0.289 31.752 31.700 -0.395 0.000 0.789 256 N N -1.049 117.460 118.700 -0.318 0.000 2.573 256 N HA -0.095 4.640 4.740 -0.007 0.000 0.187 256 N C 0.891 176.409 175.510 0.013 0.000 1.107 256 N CA 0.941 53.998 53.050 0.012 0.000 0.918 256 N CB -0.545 38.007 38.487 0.108 0.000 0.966 256 N HN 0.252 nan 8.380 nan 0.000 0.448 257 D N -0.813 119.474 120.400 -0.189 0.000 2.389 257 D HA 0.066 4.701 4.640 -0.007 0.000 0.206 257 D C 0.249 176.436 176.300 -0.189 0.000 1.055 257 D CA -0.112 53.866 54.000 -0.037 0.000 0.856 257 D CB 0.358 41.225 40.800 0.112 0.000 0.957 257 D HN 0.192 nan 8.370 nan 0.000 0.509 258 F N 1.781 121.410 119.950 -0.535 0.000 2.553 258 F HA -0.031 4.491 4.527 -0.007 0.000 0.356 258 F C 1.776 176.947 175.800 -1.047 0.000 1.142 258 F CA -0.088 57.242 58.000 -1.117 0.000 1.322 258 F CB 0.649 38.872 39.000 -1.296 0.000 1.126 258 F HN -0.194 nan 8.300 nan 0.000 0.599 259 T N 0.510 114.344 114.554 -1.199 0.000 3.467 259 T HA 0.191 4.537 4.350 -0.007 0.000 0.232 259 T C -0.148 174.484 174.700 -0.115 0.000 0.876 259 T CA -0.344 61.407 62.100 -0.581 0.000 0.939 259 T CB -1.203 67.322 68.868 -0.573 0.000 1.165 259 T HN 0.353 nan 8.240 nan 0.000 0.615 260 Y N 0.849 121.115 120.300 -0.057 0.000 2.335 260 Y HA 0.243 4.788 4.550 -0.008 0.000 0.348 260 Y C 1.157 177.070 175.900 0.022 0.000 1.280 260 Y CA -1.290 56.850 58.100 0.067 0.000 1.504 260 Y CB 0.487 38.936 38.460 -0.019 0.000 1.366 260 Y HN 0.243 nan 8.280 nan 0.000 0.621 261 E N 1.318 121.632 120.200 0.190 0.000 2.299 261 E HA 0.044 4.389 4.350 -0.007 0.000 0.272 261 E C -0.116 176.552 176.600 0.112 0.000 1.043 261 E CA -0.098 56.360 56.400 0.095 0.000 0.895 261 E CB 0.542 30.244 29.700 0.004 0.000 1.011 261 E HN 0.375 nan 8.360 nan 0.000 0.432 262 R N 3.804 124.378 120.500 0.123 0.000 2.397 262 R HA 0.197 4.533 4.340 -0.007 0.000 0.241 262 R C -0.077 176.383 176.300 0.267 0.000 0.914 262 R CA -0.044 56.170 56.100 0.191 0.000 1.071 262 R CB 0.080 30.429 30.300 0.082 0.000 1.116 262 R HN 0.388 nan 8.270 nan 0.000 0.524 263 R N 1.990 122.556 120.500 0.109 0.000 2.216 263 R HA 0.093 4.429 4.340 -0.007 0.000 0.332 263 R C 1.276 177.355 176.300 -0.368 0.000 1.056 263 R CA -0.090 55.953 56.100 -0.094 0.000 0.901 263 R CB 0.869 31.129 30.300 -0.067 0.000 1.039 263 R HN 0.114 nan 8.270 nan 0.000 0.456 264 K N 1.681 121.593 120.400 -0.815 0.000 2.281 264 K HA -0.186 4.130 4.320 -0.007 0.000 0.203 264 K C 0.393 176.732 176.600 -0.436 0.000 1.046 264 K CA 1.418 57.022 56.287 -1.138 0.000 0.938 264 K CB 0.176 32.139 32.500 -0.895 0.000 0.737 264 K HN 0.390 nan 8.250 nan 0.000 0.458 265 E N 1.378 121.420 120.200 -0.263 0.000 2.338 265 E HA -0.017 4.328 4.350 -0.007 0.000 0.197 265 E C 0.498 177.041 176.600 -0.094 0.000 1.007 265 E CA 0.464 56.778 56.400 -0.143 0.000 0.849 265 E CB 0.202 29.837 29.700 -0.109 0.000 0.774 265 E HN 0.295 nan 8.360 nan 0.000 0.506 266 S N -0.706 114.943 115.700 -0.086 0.000 2.585 266 S HA 0.493 4.959 4.470 -0.007 0.000 0.277 266 S C 1.094 175.695 174.600 0.003 0.000 1.241 266 S CA -0.111 58.067 58.200 -0.037 0.000 1.041 266 S CB 1.394 64.563 63.200 -0.052 0.000 0.987 266 S HN 0.157 nan 8.310 nan 0.000 0.512 267 A N 3.686 126.522 122.820 0.027 0.000 2.121 267 A HA 0.221 4.536 4.320 -0.007 0.000 0.218 267 A C 1.942 179.530 177.584 0.007 0.000 1.154 267 A CA 1.403 53.471 52.037 0.052 0.000 0.679 267 A CB -0.837 18.228 19.000 0.108 0.000 0.795 267 A HN 1.168 nan 8.150 nan 0.000 0.458 268 A N -1.772 120.960 122.820 -0.147 0.000 2.251 268 A HA 0.285 4.601 4.320 -0.007 0.000 0.209 268 A C 0.660 178.175 177.584 -0.114 0.000 1.187 268 A CA -0.401 51.476 52.037 -0.267 0.000 0.823 268 A CB -0.560 18.032 19.000 -0.681 0.000 0.846 268 A HN 0.503 nan 8.150 nan 0.000 0.486 269 Y N 0.891 121.096 120.300 -0.158 0.000 2.810 269 Y HA 0.229 4.774 4.550 -0.008 0.000 0.332 269 Y C -0.250 175.560 175.900 -0.150 0.000 1.243 269 Y CA 0.021 58.043 58.100 -0.130 0.000 1.537 269 Y CB -0.043 38.363 38.460 -0.091 0.000 1.265 269 Y HN 0.222 nan 8.280 nan 0.000 0.572 270 I N 9.810 129.949 120.570 -0.718 0.000 2.476 270 I HA 0.258 4.423 4.170 -0.007 0.000 0.281 270 I C -2.311 173.253 176.117 -0.922 0.000 1.040 270 I CA -2.180 58.665 61.300 -0.758 0.000 1.094 270 I CB 1.908 39.503 38.000 -0.675 0.000 1.219 270 I HN 0.508 nan 8.210 nan 0.000 0.450 271 P HA 0.106 nan 4.420 nan 0.000 0.272 271 P C -0.515 176.635 177.300 -0.250 0.000 1.230 271 P CA -0.042 62.724 63.100 -0.557 0.000 0.788 271 P CB 0.579 32.124 31.700 -0.259 0.000 0.949 272 F N 0.292 120.235 119.950 -0.011 0.000 2.553 272 F HA 0.309 4.832 4.527 -0.007 0.000 0.356 272 F C 2.047 177.844 175.800 -0.004 0.000 1.142 272 F CA 2.018 60.025 58.000 0.012 0.000 1.322 272 F CB -0.247 38.766 39.000 0.023 0.000 1.126 272 F HN 0.700 nan 8.300 nan 0.000 0.599 273 G N 1.101 110.004 108.800 0.171 0.000 2.194 273 G HA2 -0.214 3.741 3.960 -0.007 0.000 0.236 273 G HA3 -0.214 3.741 3.960 -0.007 0.000 0.236 273 G C -0.147 174.779 174.900 0.045 0.000 0.987 273 G CA -0.200 44.953 45.100 0.088 0.000 0.635 273 G HN 0.584 nan 8.290 nan 0.000 0.520 274 E N -0.576 119.643 120.200 0.031 0.000 2.336 274 E HA 0.618 4.963 4.350 -0.007 0.000 0.267 274 E C 0.175 176.831 176.600 0.095 0.000 0.906 274 E CA -0.344 56.065 56.400 0.015 0.000 0.781 274 E CB 2.250 31.913 29.700 -0.062 0.000 1.261 274 E HN 1.503 nan 8.360 nan 0.000 0.436 275 G N 1.434 110.301 108.800 0.111 0.000 2.528 275 G HA2 -0.088 3.867 3.960 -0.007 0.000 0.681 275 G HA3 -0.088 3.867 3.960 -0.007 0.000 0.681 275 G C -0.631 174.411 174.900 0.236 0.000 1.340 275 G CA -0.627 44.637 45.100 0.274 0.000 0.855 275 G HN 0.534 nan 8.290 nan 0.000 0.649 276 D N -0.255 120.319 120.400 0.289 0.000 2.725 276 D HA 0.304 4.940 4.640 -0.007 0.000 0.269 276 D C 0.566 176.708 176.300 -0.263 0.000 1.018 276 D CA 1.225 55.266 54.000 0.067 0.000 0.956 276 D CB 0.461 41.519 40.800 0.429 0.000 1.141 276 D HN 0.307 nan 8.370 nan 0.000 0.478 277 F N -1.081 119.059 119.950 0.317 0.000 2.715 277 F HA 0.337 4.860 4.527 -0.007 0.000 0.318 277 F C -1.052 174.456 175.800 -0.487 0.000 1.141 277 F CA -1.291 56.715 58.000 0.011 0.000 0.950 277 F CB 1.692 40.512 39.000 -0.300 0.000 1.374 277 F HN -0.294 nan 8.300 nan 0.000 0.477 278 Y N 1.885 121.682 120.300 -0.838 0.000 2.491 278 Y HA 0.487 5.032 4.550 -0.007 0.000 0.334 278 Y C -1.125 174.586 175.900 -0.316 0.000 0.969 278 Y CA -0.892 56.706 58.100 -0.837 0.000 1.241 278 Y CB 0.230 37.860 38.460 -1.383 0.000 1.105 278 Y HN 0.411 nan 8.280 nan 0.000 0.503 279 Y N 3.653 123.817 120.300 -0.228 0.000 2.301 279 Y HA 0.174 4.720 4.550 -0.007 0.000 0.328 279 Y C 0.286 176.124 175.900 -0.103 0.000 1.242 279 Y CA -0.338 57.741 58.100 -0.036 0.000 1.323 279 Y CB 0.593 39.158 38.460 0.175 0.000 1.266 279 Y HN 0.533 nan 8.280 nan 0.000 0.527 280 H N 1.111 120.293 119.070 0.185 0.000 2.519 280 H HA 0.416 4.968 4.556 -0.007 0.000 0.316 280 H C 0.150 175.594 175.328 0.193 0.000 1.065 280 H CA -0.425 55.707 56.048 0.140 0.000 1.264 280 H CB 1.334 31.218 29.762 0.203 0.000 1.413 280 H HN 0.957 nan 8.280 nan 0.000 0.465 281 A N 4.019 127.010 122.820 0.287 0.000 2.239 281 A HA -0.009 4.307 4.320 -0.007 0.000 0.209 281 A C 2.112 179.770 177.584 0.123 0.000 1.171 281 A CA 0.980 53.149 52.037 0.221 0.000 0.768 281 A CB -0.399 18.705 19.000 0.174 0.000 0.790 281 A HN 0.786 nan 8.150 nan 0.000 0.478 282 A N -0.548 122.098 122.820 -0.290 0.000 2.121 282 A HA 0.339 4.655 4.320 -0.007 0.000 0.218 282 A C 0.747 178.219 177.584 -0.187 0.000 1.154 282 A CA 0.747 52.521 52.037 -0.439 0.000 0.679 282 A CB -0.210 18.150 19.000 -1.066 0.000 0.795 282 A HN 0.457 nan 8.150 nan 0.000 0.458 283 I N -0.579 119.999 120.570 0.013 0.000 2.649 283 I HA 0.472 4.638 4.170 -0.007 0.000 0.289 283 I C -1.299 175.069 176.117 0.418 0.000 1.222 283 I CA -0.662 60.729 61.300 0.152 0.000 1.046 283 I CB 2.153 40.251 38.000 0.162 0.000 1.272 283 I HN 0.291 nan 8.210 nan 0.000 0.425 284 F N 3.731 123.875 119.950 0.324 0.000 2.678 284 F HA 0.965 5.488 4.527 -0.007 0.000 0.308 284 F C -0.323 175.631 175.800 0.257 0.000 1.118 284 F CA -0.549 57.644 58.000 0.321 0.000 0.959 284 F CB 1.490 40.653 39.000 0.272 0.000 1.305 284 F HN 0.556 nan 8.300 nan 0.000 0.443 285 G N -0.389 108.549 108.800 0.230 0.000 2.570 285 G HA2 0.817 4.772 3.960 -0.007 0.000 0.310 285 G HA3 0.817 4.772 3.960 -0.007 0.000 0.310 285 G C -0.758 174.060 174.900 -0.137 0.000 1.266 285 G CA -0.166 44.784 45.100 -0.249 0.000 0.825 285 G HN 2.150 nan 8.290 nan 0.000 0.483 286 G N -1.771 106.895 108.800 -0.223 0.000 2.339 286 G HA2 0.571 4.527 3.960 -0.007 0.000 0.275 286 G HA3 0.571 4.527 3.960 -0.007 0.000 0.275 286 G C 0.011 174.965 174.900 0.090 0.000 1.323 286 G CA 0.889 45.996 45.100 0.012 0.000 0.927 286 G HN 1.964 nan 8.290 nan 0.000 0.486 287 T N -0.616 113.983 114.554 0.075 0.000 2.860 287 T HA 0.523 4.868 4.350 -0.007 0.000 0.299 287 T C -1.348 173.304 174.700 -0.079 0.000 1.045 287 T CA -0.405 61.634 62.100 -0.102 0.000 1.071 287 T CB 1.707 70.491 68.868 -0.140 0.000 0.985 287 T HN 0.198 nan 8.240 nan 0.000 0.537 288 P HA -0.077 nan 4.420 nan 0.000 0.216 288 P C 1.643 178.887 177.300 -0.092 0.000 1.150 288 P CA 1.113 64.147 63.100 -0.109 0.000 0.843 288 P CB -0.187 31.426 31.700 -0.146 0.000 0.787 289 T N -0.696 113.807 114.554 -0.085 0.000 2.708 289 T HA -0.163 4.182 4.350 -0.007 0.000 0.266 289 T C 1.805 176.490 174.700 -0.026 0.000 1.037 289 T CA 1.202 63.267 62.100 -0.058 0.000 1.146 289 T CB -0.611 68.229 68.868 -0.047 0.000 0.865 289 T HN 0.136 nan 8.240 nan 0.000 0.435 290 Q N 0.518 120.317 119.800 -0.000 0.000 2.079 290 Q HA 0.013 4.348 4.340 -0.007 0.000 0.200 290 Q C 2.647 178.657 176.000 0.017 0.000 0.974 290 Q CA 0.866 56.695 55.803 0.043 0.000 0.840 290 Q CB -0.870 27.921 28.738 0.088 0.000 0.898 290 Q HN 0.396 nan 8.270 nan 0.000 0.430 291 V N 1.319 121.239 119.914 0.010 0.000 2.515 291 V HA -0.218 3.897 4.120 -0.007 0.000 0.250 291 V C 2.316 178.385 176.094 -0.041 0.000 1.058 291 V CA 1.232 63.545 62.300 0.022 0.000 1.064 291 V CB -0.637 31.212 31.823 0.044 0.000 0.675 291 V HN 0.219 nan 8.190 nan 0.000 0.461 292 L N 1.000 122.187 121.223 -0.059 0.000 2.046 292 L HA -0.165 4.170 4.340 -0.007 0.000 0.208 292 L C 2.075 178.890 176.870 -0.092 0.000 1.077 292 L CA 2.316 57.108 54.840 -0.080 0.000 0.747 292 L CB -0.965 41.044 42.059 -0.083 0.000 0.896 292 L HN 0.384 nan 8.230 nan 0.000 0.432 293 N N -0.640 118.014 118.700 -0.076 0.000 2.216 293 N HA -0.130 4.605 4.740 -0.007 0.000 0.183 293 N C 1.784 177.143 175.510 -0.251 0.000 1.017 293 N CA 1.475 54.488 53.050 -0.062 0.000 0.861 293 N CB -0.182 38.337 38.487 0.054 0.000 0.986 293 N HN 0.475 nan 8.380 nan 0.000 0.428 294 I N -0.072 120.216 120.570 -0.470 0.000 2.113 294 I HA -0.294 3.871 4.170 -0.007 0.000 0.238 294 I C 2.284 177.988 176.117 -0.687 0.000 1.070 294 I CA 1.686 62.338 61.300 -1.080 0.000 1.332 294 I CB -0.838 36.654 38.000 -0.847 0.000 1.044 294 I HN 0.356 nan 8.210 nan 0.000 0.402 295 T N -1.305 113.042 114.554 -0.346 0.000 2.746 295 T HA -0.175 4.171 4.350 -0.007 0.000 0.267 295 T C 1.082 175.697 174.700 -0.141 0.000 1.039 295 T CA 0.734 62.714 62.100 -0.200 0.000 1.142 295 T CB -0.469 68.353 68.868 -0.076 0.000 0.866 295 T HN 0.312 nan 8.240 nan 0.000 0.444 296 Q N 0.534 120.258 119.800 -0.126 0.000 2.382 296 Q HA 0.254 4.590 4.340 -0.007 0.000 0.229 296 Q C 0.474 176.431 176.000 -0.073 0.000 1.006 296 Q CA -0.376 55.398 55.803 -0.050 0.000 0.916 296 Q CB 0.614 29.328 28.738 -0.040 0.000 1.235 296 Q HN 0.299 nan 8.270 nan 0.000 0.512 297 E N -1.126 119.066 120.200 -0.015 0.000 4.363 297 E HA -0.293 4.053 4.350 -0.007 0.000 0.168 297 E C 1.316 177.898 176.600 -0.030 0.000 1.142 297 E CA 1.771 58.176 56.400 0.007 0.000 2.522 297 E CB -1.784 27.974 29.700 0.097 0.000 1.706 297 E HN 0.777 nan 8.360 nan 0.000 0.510 298 C N 0.627 119.861 119.300 -0.111 0.000 2.432 298 C HA -0.060 4.395 4.460 -0.007 0.000 0.277 298 C C 2.461 177.357 174.990 -0.156 0.000 1.249 298 C CA 1.204 60.141 59.018 -0.136 0.000 1.725 298 C CB -1.248 26.355 27.740 -0.228 0.000 2.028 298 C HN 0.461 nan 8.230 nan 0.000 0.477 299 F N 1.719 121.535 119.950 -0.224 0.000 2.234 299 F HA -0.062 4.461 4.527 -0.007 0.000 0.299 299 F C 2.223 177.912 175.800 -0.185 0.000 1.087 299 F CA 1.500 59.373 58.000 -0.211 0.000 1.340 299 F CB -0.404 38.503 39.000 -0.155 0.000 1.031 299 F HN 0.168 nan 8.300 nan 0.000 0.500 300 K N -0.490 119.833 120.400 -0.129 0.000 2.097 300 K HA -0.094 4.222 4.320 -0.007 0.000 0.206 300 K C 2.358 178.830 176.600 -0.214 0.000 1.049 300 K CA 1.165 57.354 56.287 -0.163 0.000 0.933 300 K CB -0.794 31.672 32.500 -0.057 0.000 0.717 300 K HN 0.398 nan 8.250 nan 0.000 0.442 301 G N 1.253 109.933 108.800 -0.200 0.000 2.403 301 G HA2 -0.170 3.786 3.960 -0.007 0.000 0.216 301 G HA3 -0.170 3.786 3.960 -0.007 0.000 0.216 301 G C 1.419 176.117 174.900 -0.336 0.000 1.154 301 G CA 0.272 45.292 45.100 -0.134 0.000 0.784 301 G HN 0.044 nan 8.290 nan 0.000 0.538 302 I N 0.888 121.036 120.570 -0.703 0.000 2.179 302 I HA -0.087 4.078 4.170 -0.007 0.000 0.242 302 I C 2.804 178.637 176.117 -0.473 0.000 1.088 302 I CA 0.985 61.881 61.300 -0.672 0.000 1.357 302 I CB -0.943 36.657 38.000 -0.666 0.000 1.051 302 I HN 0.166 nan 8.210 nan 0.000 0.409 303 L N 0.357 121.223 121.223 -0.595 0.000 2.093 303 L HA -0.210 4.125 4.340 -0.007 0.000 0.208 303 L C 2.622 179.345 176.870 -0.246 0.000 1.085 303 L CA 1.214 55.785 54.840 -0.447 0.000 0.755 303 L CB -0.598 41.168 42.059 -0.489 0.000 0.904 303 L HN 0.261 nan 8.230 nan 0.000 0.435 304 K N 0.424 120.705 120.400 -0.199 0.000 2.026 304 K HA -0.220 4.096 4.320 -0.007 0.000 0.208 304 K C 1.653 178.203 176.600 -0.083 0.000 1.048 304 K CA 1.944 58.164 56.287 -0.111 0.000 0.929 304 K CB -0.004 32.453 32.500 -0.073 0.000 0.713 304 K HN 0.150 nan 8.250 nan 0.000 0.439 305 D N 0.684 121.045 120.400 -0.066 0.000 2.149 305 D HA -0.135 4.500 4.640 -0.007 0.000 0.198 305 D C 1.706 177.966 176.300 -0.066 0.000 0.990 305 D CA 1.224 55.202 54.000 -0.037 0.000 0.839 305 D CB 0.033 40.848 40.800 0.025 0.000 0.948 305 D HN 0.283 nan 8.370 nan 0.000 0.460 306 K N 0.294 120.634 120.400 -0.100 0.000 2.097 306 K HA -0.086 4.230 4.320 -0.007 0.000 0.206 306 K C 1.877 178.429 176.600 -0.080 0.000 1.049 306 K CA 0.775 57.004 56.287 -0.097 0.000 0.933 306 K CB 0.121 32.545 32.500 -0.126 0.000 0.717 306 K HN -0.016 nan 8.250 nan 0.000 0.442 307 K N 0.709 121.060 120.400 -0.083 0.000 2.283 307 K HA -0.032 4.284 4.320 -0.007 0.000 0.202 307 K C 1.058 177.625 176.600 -0.055 0.000 1.048 307 K CA 0.839 57.086 56.287 -0.066 0.000 0.948 307 K CB -0.084 32.376 32.500 -0.067 0.000 0.742 307 K HN 0.164 nan 8.250 nan 0.000 0.458 308 N N 1.426 120.093 118.700 -0.055 0.000 2.235 308 N HA -0.058 4.678 4.740 -0.007 0.000 0.209 308 N C -0.653 174.827 175.510 -0.049 0.000 1.122 308 N CA 0.101 53.121 53.050 -0.049 0.000 0.845 308 N CB 0.250 38.708 38.487 -0.048 0.000 1.004 308 N HN 0.117 nan 8.380 nan 0.000 0.499 309 D N 0.922 121.291 120.400 -0.051 0.000 2.697 309 D HA -0.203 4.432 4.640 -0.007 0.000 0.238 309 D C -0.741 175.528 176.300 -0.052 0.000 1.152 309 D CA 0.575 54.544 54.000 -0.051 0.000 0.666 309 D CB -1.133 39.640 40.800 -0.045 0.000 1.037 309 D HN 0.443 nan 8.370 nan 0.000 0.423 310 I N -0.070 120.468 120.570 -0.053 0.000 2.827 310 I HA 0.457 4.622 4.170 -0.007 0.000 0.298 310 I C -1.392 174.695 176.117 -0.050 0.000 1.235 310 I CA -0.866 60.401 61.300 -0.054 0.000 1.021 310 I CB 1.910 39.878 38.000 -0.053 0.000 1.259 310 I HN 0.084 nan 8.210 nan 0.000 0.427 311 E N 5.678 125.841 120.200 -0.061 0.000 2.260 311 E HA 0.635 4.981 4.350 -0.007 0.000 0.266 311 E C -0.860 175.678 176.600 -0.104 0.000 0.887 311 E CA -0.757 55.610 56.400 -0.055 0.000 0.777 311 E CB 1.914 31.577 29.700 -0.061 0.000 1.205 311 E HN 0.781 nan 8.360 nan 0.000 0.414 312 A N 3.697 126.468 122.820 -0.082 0.000 2.587 312 A HA -0.113 4.203 4.320 -0.007 0.000 0.233 312 A C 1.095 178.465 177.584 -0.357 0.000 1.049 312 A CA 0.614 52.549 52.037 -0.171 0.000 0.754 312 A CB 0.486 19.385 19.000 -0.168 0.000 0.977 312 A HN 0.964 nan 8.150 nan 0.000 0.509 313 Q N 1.148 120.748 119.800 -0.335 0.000 2.096 313 Q HA -0.169 4.166 4.340 -0.007 0.000 0.204 313 Q C 0.334 175.759 176.000 -0.959 0.000 0.982 313 Q CA 2.010 57.472 55.803 -0.568 0.000 0.850 313 Q CB -0.042 28.438 28.738 -0.430 0.000 0.901 313 Q HN 0.884 nan 8.270 nan 0.000 0.422 314 W N 0.027 121.148 121.300 -0.299 0.000 2.764 314 W HA 0.219 4.875 4.660 -0.008 0.000 0.427 314 W C -0.017 176.456 176.519 -0.077 0.000 0.896 314 W CA -0.261 56.995 57.345 -0.149 0.000 2.307 314 W CB 0.169 29.688 29.460 0.098 0.000 1.192 314 W HN 0.360 nan 8.180 nan 0.000 0.731 315 H N -0.560 118.618 119.070 0.180 0.000 1.452 315 H HA -0.392 4.160 4.556 -0.007 0.000 0.090 315 H C 1.750 177.233 175.328 0.258 0.000 0.964 315 H CA 1.881 58.025 56.048 0.161 0.000 1.901 315 H CB -1.128 28.679 29.762 0.075 0.000 2.257 315 H HN 0.195 nan 8.280 nan 0.000 0.961 316 D N 0.548 121.154 120.400 0.342 0.000 2.221 316 D HA -0.201 4.434 4.640 -0.007 0.000 0.204 316 D C 1.910 178.322 176.300 0.187 0.000 0.982 316 D CA 1.821 55.953 54.000 0.219 0.000 0.857 316 D CB -0.534 40.327 40.800 0.102 0.000 0.934 316 D HN 0.655 nan 8.370 nan 0.000 0.475 317 Q N 0.628 120.570 119.800 0.236 0.000 2.119 317 Q HA -0.112 4.223 4.340 -0.007 0.000 0.201 317 Q C 2.046 178.134 176.000 0.146 0.000 0.972 317 Q CA 1.335 57.248 55.803 0.184 0.000 0.847 317 Q CB 0.119 29.005 28.738 0.247 0.000 0.903 317 Q HN 0.147 nan 8.270 nan 0.000 0.433 318 S N -0.303 115.505 115.700 0.181 0.000 2.368 318 S HA -0.135 4.331 4.470 -0.007 0.000 0.224 318 S C 1.619 176.190 174.600 -0.048 0.000 1.029 318 S CA 0.892 59.144 58.200 0.086 0.000 0.988 318 S CB -0.340 62.869 63.200 0.015 0.000 0.838 318 S HN 0.525 nan 8.310 nan 0.000 0.462 319 H N 0.365 119.444 119.070 0.015 0.000 2.389 319 H HA 0.031 4.582 4.556 -0.007 0.000 0.299 319 H C 2.212 177.489 175.328 -0.086 0.000 1.081 319 H CA 1.192 57.218 56.048 -0.038 0.000 1.345 319 H CB -0.445 29.285 29.762 -0.053 0.000 1.393 319 H HN 0.231 nan 8.280 nan 0.000 0.520 320 L N 1.350 122.567 121.223 -0.012 0.000 2.083 320 L HA -0.118 4.218 4.340 -0.007 0.000 0.209 320 L C 1.882 178.707 176.870 -0.076 0.000 1.083 320 L CA 1.370 56.086 54.840 -0.208 0.000 0.752 320 L CB -0.545 41.358 42.059 -0.262 0.000 0.899 320 L HN 0.115 nan 8.230 nan 0.000 0.433 321 N N -0.216 118.519 118.700 0.059 0.000 2.188 321 N HA -0.207 4.528 4.740 -0.007 0.000 0.184 321 N C 1.812 177.343 175.510 0.035 0.000 1.018 321 N CA 1.122 54.276 53.050 0.173 0.000 0.858 321 N CB 0.001 38.568 38.487 0.134 0.000 0.989 321 N HN 0.258 nan 8.380 nan 0.000 0.426 322 K N 0.810 121.172 120.400 -0.064 0.000 2.057 322 K HA -0.138 4.178 4.320 -0.007 0.000 0.206 322 K C 1.986 178.546 176.600 -0.067 0.000 1.050 322 K CA 1.007 57.226 56.287 -0.114 0.000 0.935 322 K CB -0.752 31.686 32.500 -0.104 0.000 0.715 322 K HN 0.184 nan 8.250 nan 0.000 0.439 323 Y N -0.173 120.025 120.300 -0.170 0.000 2.145 323 Y HA -0.128 4.418 4.550 -0.007 0.000 0.286 323 Y C 1.602 177.403 175.900 -0.165 0.000 1.145 323 Y CA 1.980 59.941 58.100 -0.232 0.000 1.148 323 Y CB -0.339 37.872 38.460 -0.416 0.000 0.981 323 Y HN 0.094 nan 8.280 nan 0.000 0.507 324 F N -1.124 118.836 119.950 0.015 0.000 2.546 324 F HA -0.152 4.370 4.527 -0.008 0.000 0.298 324 F C 1.969 177.716 175.800 -0.088 0.000 1.120 324 F CA 0.091 58.037 58.000 -0.091 0.000 1.456 324 F CB 0.011 38.879 39.000 -0.219 0.000 1.088 324 F HN 0.226 nan 8.300 nan 0.000 0.572 325 L N 0.086 121.362 121.223 0.089 0.000 2.095 325 L HA -0.069 4.267 4.340 -0.007 0.000 0.204 325 L C 1.829 178.608 176.870 -0.152 0.000 1.080 325 L CA 1.700 56.532 54.840 -0.013 0.000 0.759 325 L CB -0.586 41.422 42.059 -0.084 0.000 0.914 325 L HN 0.056 nan 8.230 nan 0.000 0.439 326 L N -0.379 120.717 121.223 -0.212 0.000 2.131 326 L HA -0.017 4.319 4.340 -0.007 0.000 0.206 326 L C 0.275 176.950 176.870 -0.326 0.000 1.087 326 L CA 0.556 55.241 54.840 -0.258 0.000 0.767 326 L CB -0.302 41.595 42.059 -0.270 0.000 0.917 326 L HN 0.304 nan 8.230 nan 0.000 0.441 327 N N 1.011 119.448 118.700 -0.439 0.000 2.776 327 N HA 0.141 4.876 4.740 -0.007 0.000 0.245 327 N C -0.904 174.473 175.510 -0.221 0.000 1.121 327 N CA -0.348 52.461 53.050 -0.401 0.000 0.852 327 N CB 1.084 39.156 38.487 -0.693 0.000 1.142 327 N HN 0.002 nan 8.380 nan 0.000 0.514 328 K N 1.934 122.131 120.400 -0.340 0.000 2.524 328 K HA 0.086 4.402 4.320 -0.007 0.000 0.279 328 K C -2.014 174.494 176.600 -0.153 0.000 0.993 328 K CA -0.876 55.112 56.287 -0.497 0.000 1.030 328 K CB 0.151 31.813 32.500 -1.396 0.000 0.891 328 K HN 0.336 nan 8.250 nan 0.000 0.488 329 P HA 0.024 nan 4.420 nan 0.000 0.275 329 P C 0.536 177.961 177.300 0.207 0.000 1.228 329 P CA -0.136 62.929 63.100 -0.059 0.000 0.786 329 P CB 0.535 31.919 31.700 -0.527 0.000 0.927 330 T N -0.839 113.802 114.554 0.145 0.000 3.088 330 T HA 0.046 4.391 4.350 -0.007 0.000 0.259 330 T C 0.564 175.327 174.700 0.105 0.000 1.122 330 T CA 0.599 62.806 62.100 0.177 0.000 1.095 330 T CB 0.020 68.971 68.868 0.138 0.000 0.930 330 T HN 0.496 nan 8.240 nan 0.000 0.508 331 K N 0.063 120.485 120.400 0.035 0.000 2.542 331 K HA 0.619 4.935 4.320 -0.007 0.000 0.259 331 K C -2.061 174.482 176.600 -0.095 0.000 0.932 331 K CA -0.958 55.305 56.287 -0.039 0.000 0.820 331 K CB 1.881 34.355 32.500 -0.044 0.000 1.345 331 K HN 0.174 nan 8.250 nan 0.000 0.432 332 I N 4.521 125.011 120.570 -0.133 0.000 2.608 332 I HA 0.378 4.544 4.170 -0.007 0.000 0.295 332 I C -0.675 175.319 176.117 -0.206 0.000 1.049 332 I CA -1.102 60.104 61.300 -0.157 0.000 1.063 332 I CB 1.890 39.780 38.000 -0.183 0.000 1.248 332 I HN 0.414 nan 8.210 nan 0.000 0.424 333 L N 4.058 125.156 121.223 -0.210 0.000 2.322 333 L HA 0.445 4.780 4.340 -0.007 0.000 0.279 333 L C 0.588 177.279 176.870 -0.297 0.000 1.036 333 L CA -0.558 54.079 54.840 -0.339 0.000 0.807 333 L CB 1.760 43.569 42.059 -0.418 0.000 1.226 333 L HN 0.704 nan 8.230 nan 0.000 0.433 334 S N 1.961 117.387 115.700 -0.456 0.000 2.608 334 S HA 0.234 4.699 4.470 -0.007 0.000 0.261 334 S C -1.938 172.394 174.600 -0.447 0.000 1.314 334 S CA -0.955 56.712 58.200 -0.888 0.000 0.992 334 S CB 0.801 62.832 63.200 -1.948 0.000 0.935 334 S HN 0.444 nan 8.310 nan 0.000 0.564 335 P HA -0.007 nan 4.420 nan 0.000 0.231 335 P C 0.676 177.945 177.300 -0.052 0.000 1.158 335 P CA 0.904 63.928 63.100 -0.127 0.000 0.763 335 P CB -0.090 31.513 31.700 -0.163 0.000 0.805 336 E N -1.872 118.157 120.200 -0.285 0.000 2.268 336 E HA -0.158 4.188 4.350 -0.007 0.000 0.195 336 E C 0.818 177.258 176.600 -0.267 0.000 0.995 336 E CA 0.856 57.073 56.400 -0.304 0.000 0.836 336 E CB -0.411 29.072 29.700 -0.360 0.000 0.763 336 E HN 0.439 nan 8.360 nan 0.000 0.491 337 Y N -0.498 119.735 120.300 -0.112 0.000 2.490 337 Y HA 0.069 4.614 4.550 -0.008 0.000 0.281 337 Y C 0.703 176.694 175.900 0.153 0.000 1.174 337 Y CA -0.174 57.906 58.100 -0.033 0.000 1.295 337 Y CB 0.498 38.837 38.460 -0.202 0.000 1.062 337 Y HN 0.135 nan 8.280 nan 0.000 0.522 338 C N -2.327 117.146 119.300 0.287 0.000 3.096 338 C HA 0.195 4.651 4.460 -0.007 0.000 0.329 338 C C -0.690 174.586 174.990 0.478 0.000 0.912 338 C CA -1.588 57.664 59.018 0.389 0.000 1.168 338 C CB -1.221 26.777 27.740 0.429 0.000 1.627 338 C HN 0.476 nan 8.230 nan 0.000 0.622 339 W N 2.953 124.262 121.300 0.016 0.000 2.449 339 W HA 0.537 5.192 4.660 -0.008 0.000 0.331 339 W C -1.081 175.089 176.519 -0.581 0.000 1.119 339 W CA 0.170 57.332 57.345 -0.305 0.000 1.240 339 W CB 1.504 30.682 29.460 -0.470 0.000 1.251 339 W HN 0.711 nan 8.180 nan 0.000 0.576 340 D N 3.915 123.146 120.400 -1.948 0.000 2.427 340 D HA 0.111 4.747 4.640 -0.007 0.000 0.226 340 D C 0.343 175.814 176.300 -1.383 0.000 1.076 340 D CA -0.349 52.627 54.000 -1.706 0.000 0.849 340 D CB 0.356 39.910 40.800 -2.077 0.000 1.052 340 D HN 0.338 nan 8.370 nan 0.000 0.515 341 Y N 1.646 121.643 120.300 -0.505 0.000 2.569 341 Y HA -0.169 4.377 4.550 -0.008 0.000 0.293 341 Y C 1.958 177.773 175.900 -0.142 0.000 1.144 341 Y CA 0.643 58.652 58.100 -0.151 0.000 1.321 341 Y CB -0.035 38.452 38.460 0.045 0.000 0.982 341 Y HN 0.610 nan 8.280 nan 0.000 0.558 342 H N 0.169 119.146 119.070 -0.155 0.000 2.489 342 H HA -0.122 4.429 4.556 -0.007 0.000 0.293 342 H C 1.761 176.988 175.328 -0.170 0.000 1.066 342 H CA 1.500 57.511 56.048 -0.061 0.000 1.305 342 H CB -0.260 29.538 29.762 0.060 0.000 1.386 342 H HN 0.353 nan 8.280 nan 0.000 0.551 343 I N -0.710 119.522 120.570 -0.563 0.000 2.617 343 I HA 0.062 4.228 4.170 -0.007 0.000 0.256 343 I C 1.564 177.533 176.117 -0.246 0.000 1.167 343 I CA 0.641 61.508 61.300 -0.723 0.000 1.469 343 I CB -0.215 37.073 38.000 -1.186 0.000 1.098 343 I HN 0.553 nan 8.210 nan 0.000 0.436 344 G N 1.118 109.904 108.800 -0.023 0.000 2.416 344 G HA2 -0.125 3.831 3.960 -0.007 0.000 0.203 344 G HA3 -0.125 3.831 3.960 -0.007 0.000 0.203 344 G C -1.197 173.920 174.900 0.361 0.000 1.227 344 G CA -0.507 44.672 45.100 0.131 0.000 1.041 344 G HN 0.037 nan 8.290 nan 0.000 0.546 345 L N 2.411 123.763 121.223 0.214 0.000 2.514 345 L HA 0.571 4.907 4.340 -0.007 0.000 0.257 345 L C -1.594 175.271 176.870 -0.007 0.000 1.101 345 L CA -1.097 53.811 54.840 0.115 0.000 0.911 345 L CB 1.022 43.155 42.059 0.123 0.000 1.162 345 L HN 0.731 nan 8.230 nan 0.000 0.477 346 P HA 0.284 nan 4.420 nan 0.000 0.275 346 P C 0.666 177.916 177.300 -0.083 0.000 1.266 346 P CA -0.147 62.934 63.100 -0.032 0.000 0.793 346 P CB 0.997 32.714 31.700 0.027 0.000 1.074 347 A N 0.636 123.427 122.820 -0.049 0.000 1.940 347 A HA -0.211 4.105 4.320 -0.007 0.000 0.219 347 A C 1.777 179.316 177.584 -0.075 0.000 1.176 347 A CA 2.024 54.026 52.037 -0.059 0.000 0.631 347 A CB -1.125 17.848 19.000 -0.044 0.000 0.814 347 A HN 0.556 nan 8.150 nan 0.000 0.446 348 D N -0.187 120.181 120.400 -0.053 0.000 2.218 348 D HA -0.060 4.575 4.640 -0.007 0.000 0.204 348 D C 0.461 176.749 176.300 -0.020 0.000 0.976 348 D CA 0.663 54.641 54.000 -0.036 0.000 0.853 348 D CB -0.151 40.709 40.800 0.101 0.000 0.939 348 D HN 0.294 nan 8.370 nan 0.000 0.481 349 I N 2.136 122.579 120.570 -0.212 0.000 2.256 349 I HA 0.039 4.204 4.170 -0.007 0.000 0.294 349 I C 1.328 177.298 176.117 -0.245 0.000 1.127 349 I CA -0.151 60.922 61.300 -0.379 0.000 1.247 349 I CB 0.784 38.195 38.000 -0.982 0.000 1.460 349 I HN -0.238 nan 8.210 nan 0.000 0.511 350 K N 3.801 124.131 120.400 -0.117 0.000 2.076 350 K HA 0.112 4.428 4.320 -0.007 0.000 0.204 350 K C 0.362 176.911 176.600 -0.086 0.000 1.051 350 K CA 0.786 57.024 56.287 -0.081 0.000 0.949 350 K CB 0.295 32.777 32.500 -0.030 0.000 0.726 350 K HN 0.360 nan 8.250 nan 0.000 0.443 351 L N 0.756 121.916 121.223 -0.105 0.000 2.555 351 L HA 0.256 4.592 4.340 -0.007 0.000 0.264 351 L C -1.335 175.436 176.870 -0.164 0.000 0.972 351 L CA -0.525 54.257 54.840 -0.097 0.000 0.876 351 L CB 1.902 43.928 42.059 -0.054 0.000 1.216 351 L HN -0.271 nan 8.230 nan 0.000 0.415 352 V N 6.026 125.860 119.914 -0.134 0.000 2.479 352 V HA 0.163 4.279 4.120 -0.007 0.000 0.281 352 V C 0.890 176.916 176.094 -0.115 0.000 1.031 352 V CA -0.028 62.187 62.300 -0.141 0.000 1.038 352 V CB 0.871 32.667 31.823 -0.044 0.000 0.981 352 V HN 0.770 nan 8.190 nan 0.000 0.478 353 K N 3.507 123.799 120.400 -0.180 0.000 2.308 353 K HA 0.343 4.658 4.320 -0.007 0.000 0.197 353 K C 0.162 176.813 176.600 0.084 0.000 1.049 353 K CA 0.414 56.649 56.287 -0.086 0.000 0.991 353 K CB 0.281 32.631 32.500 -0.249 0.000 0.836 353 K HN 0.642 nan 8.250 nan 0.000 0.500 354 M N -0.070 119.565 119.600 0.058 0.000 2.413 354 M HA 0.310 4.785 4.480 -0.007 0.000 0.287 354 M C -1.779 174.579 176.300 0.097 0.000 1.186 354 M CA -0.383 54.934 55.300 0.028 0.000 0.927 354 M CB 2.274 34.845 32.600 -0.048 0.000 1.715 354 M HN 0.019 nan 8.290 nan 0.000 0.478 355 S N 2.133 117.908 115.700 0.126 0.000 2.542 355 S HA 0.797 5.263 4.470 -0.007 0.000 0.293 355 S C -1.523 173.259 174.600 0.303 0.000 1.089 355 S CA -0.757 57.556 58.200 0.188 0.000 0.961 355 S CB 0.846 64.190 63.200 0.240 0.000 1.062 355 S HN 0.693 nan 8.310 nan 0.000 0.483 356 W N 1.776 123.079 121.300 0.005 0.000 2.170 356 W HA 0.367 5.023 4.660 -0.007 0.000 0.336 356 W C 0.875 177.411 176.519 0.029 0.000 1.283 356 W CA -0.636 56.718 57.345 0.015 0.000 1.224 356 W CB 0.138 29.614 29.460 0.026 0.000 1.132 356 W HN 0.573 nan 8.180 nan 0.000 0.571 357 Q N 1.141 121.054 119.800 0.188 0.000 2.260 357 Q HA 0.237 4.572 4.340 -0.007 0.000 0.242 357 Q C 0.047 176.122 176.000 0.125 0.000 0.932 357 Q CA -0.257 55.618 55.803 0.120 0.000 0.891 357 Q CB 1.119 29.828 28.738 -0.047 0.000 1.222 357 Q HN 0.327 nan 8.270 nan 0.000 0.453 358 T N 3.006 117.639 114.554 0.132 0.000 2.940 358 T HA 0.063 4.408 4.350 -0.007 0.000 0.309 358 T C 0.305 175.002 174.700 -0.006 0.000 1.056 358 T CA -0.289 61.852 62.100 0.069 0.000 1.137 358 T CB 0.363 69.265 68.868 0.057 0.000 0.976 358 T HN 0.084 nan 8.240 nan 0.000 0.547 359 K N 3.194 123.514 120.400 -0.134 0.000 2.326 359 K HA 0.171 4.487 4.320 -0.007 0.000 0.275 359 K C 0.455 176.855 176.600 -0.334 0.000 1.018 359 K CA 0.098 56.158 56.287 -0.378 0.000 0.962 359 K CB 0.550 32.600 32.500 -0.750 0.000 0.953 359 K HN 0.681 nan 8.250 nan 0.000 0.475 360 E N 2.061 122.071 120.200 -0.316 0.000 4.017 360 E HA 0.088 4.434 4.350 -0.007 0.000 0.205 360 E C 0.223 176.730 176.600 -0.155 0.000 1.054 360 E CA -0.056 56.222 56.400 -0.203 0.000 1.398 360 E CB 0.156 29.757 29.700 -0.165 0.000 1.164 360 E HN 0.524 nan 8.360 nan 0.000 0.445 361 Y N 0.312 120.520 120.300 -0.155 0.000 2.193 361 Y HA -0.320 4.226 4.550 -0.008 0.000 0.285 361 Y C 2.461 178.271 175.900 -0.150 0.000 1.166 361 Y CA 1.021 59.008 58.100 -0.189 0.000 1.181 361 Y CB -0.137 38.211 38.460 -0.187 0.000 0.976 361 Y HN 0.295 nan 8.280 nan 0.000 0.520 362 N N 0.325 119.053 118.700 0.047 0.000 2.272 362 N HA -0.153 4.582 4.740 -0.007 0.000 0.185 362 N C 1.274 176.774 175.510 -0.016 0.000 1.014 362 N CA 1.479 54.539 53.050 0.016 0.000 0.870 362 N CB -0.198 38.294 38.487 0.008 0.000 0.975 362 N HN 0.109 nan 8.380 nan 0.000 0.433 363 V N -0.567 119.303 119.914 -0.073 0.000 2.627 363 V HA -0.020 4.095 4.120 -0.007 0.000 0.239 363 V C 2.185 178.192 176.094 -0.146 0.000 1.077 363 V CA 1.061 63.296 62.300 -0.108 0.000 1.103 363 V CB -0.156 31.573 31.823 -0.157 0.000 0.802 363 V HN 0.357 nan 8.190 nan 0.000 0.482 364 V N -1.088 118.666 119.914 -0.266 0.000 2.970 364 V HA 0.087 4.203 4.120 -0.007 0.000 0.260 364 V C 1.100 177.234 176.094 0.066 0.000 1.100 364 V CA 0.818 62.977 62.300 -0.234 0.000 1.122 364 V CB -0.750 30.658 31.823 -0.691 0.000 0.721 364 V HN 0.387 nan 8.190 nan 0.000 0.483 365 R N 1.191 121.705 120.500 0.024 0.000 2.532 365 R HA 0.499 4.835 4.340 -0.007 0.000 0.295 365 R C -0.224 176.112 176.300 0.060 0.000 0.968 365 R CA -0.328 55.789 56.100 0.030 0.000 0.916 365 R CB 0.899 31.029 30.300 -0.284 0.000 1.124 365 R HN 0.248 nan 8.270 nan 0.000 0.463 366 N N 2.094 120.871 118.700 0.127 0.000 2.234 366 N HA 0.040 4.776 4.740 -0.007 0.000 0.227 366 N C -0.949 174.641 175.510 0.132 0.000 1.151 366 N CA -0.011 53.106 53.050 0.111 0.000 0.865 366 N CB 0.333 38.879 38.487 0.099 0.000 1.066 366 N HN 0.644 nan 8.380 nan 0.000 0.515 367 N N -1.541 117.282 118.700 0.204 0.000 2.859 367 N HA 0.137 4.873 4.740 -0.007 0.000 0.250 367 N C -0.745 174.944 175.510 0.299 0.000 1.341 367 N CA -0.449 52.723 53.050 0.204 0.000 0.881 367 N CB 1.400 39.982 38.487 0.159 0.000 1.516 367 N HN -0.375 nan 8.380 nan 0.000 0.503 368 V N 0.000 120.037 119.914 0.205 0.000 2.409 368 V HA 0.000 4.116 4.120 -0.007 0.000 0.244 368 V CA 0.000 62.437 62.300 0.228 0.000 1.235 368 V CB 0.000 31.894 31.823 0.118 0.000 1.184 368 V HN 0.000 nan 8.190 nan 0.000 0.556