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 1o7q_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 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 4.453 4.320 0.222 0.000 0.191 82 K C 0.000 176.642 176.600 0.069 0.000 0.988 82 K CA 0.000 56.374 56.287 0.145 0.000 0.838 82 K CB 0.000 32.570 32.500 0.116 0.000 1.064 83 L N 1.704 122.900 121.223 -0.046 0.000 2.410 83 L HA 0.034 4.196 4.340 -0.298 0.000 0.273 83 L C 0.271 177.126 176.870 -0.026 0.000 1.152 83 L CA -0.009 54.683 54.840 -0.246 0.000 0.855 83 L CB 0.781 42.480 42.059 -0.600 0.000 1.129 83 L HN 0.304 8.547 8.230 0.022 0.000 0.463 84 K N 5.136 125.549 120.400 0.022 0.000 2.164 84 K HA 0.215 4.578 4.320 0.071 0.000 0.258 84 K C 0.674 177.347 176.600 0.121 0.000 0.951 84 K CA -1.358 54.970 56.287 0.069 0.000 0.844 84 K CB 2.084 34.611 32.500 0.045 0.000 1.099 84 K HN 0.120 8.711 8.250 -0.001 -0.342 0.435 85 L N 6.751 128.023 121.223 0.082 0.000 2.043 85 L HA -0.356 3.982 4.340 -0.003 0.000 0.212 85 L C 1.276 177.987 176.870 -0.265 0.000 1.075 85 L CA 3.030 57.826 54.840 -0.074 0.000 0.752 85 L CB -0.142 41.872 42.059 -0.075 0.000 0.891 85 L HN 0.644 8.919 8.230 0.075 0.000 0.432 86 S N -2.961 112.679 115.700 -0.100 0.000 2.515 86 S HA -0.204 4.188 4.470 -0.130 0.000 0.231 86 S C 0.792 175.362 174.600 -0.051 0.000 0.987 86 S CA 1.735 59.883 58.200 -0.087 0.000 0.936 86 S CB -0.520 62.665 63.200 -0.025 0.000 0.766 86 S HN 0.111 8.380 8.310 -0.043 0.016 0.528 87 D N 1.435 121.843 120.400 0.012 0.000 2.218 87 D HA -0.182 4.497 4.640 0.064 0.000 0.204 87 D C 0.324 176.726 176.300 0.171 0.000 0.976 87 D CA 2.233 56.287 54.000 0.090 0.000 0.853 87 D CB 0.183 41.054 40.800 0.117 0.000 0.939 87 D HN -0.333 7.896 8.370 0.023 0.154 0.481 88 W N -6.428 114.907 121.300 0.058 0.000 2.413 88 W HA 0.163 4.874 4.660 0.085 0.000 0.288 88 W C -1.855 174.783 176.519 0.199 0.000 0.958 88 W CA -1.010 56.396 57.345 0.103 0.000 1.333 88 W CB 1.898 31.405 29.460 0.078 0.000 1.002 88 W HN -0.704 7.380 8.180 -0.091 0.042 0.562 89 F N 4.504 123.967 119.950 -0.813 0.000 2.460 89 F HA 0.609 4.955 4.527 -0.602 -0.180 0.341 89 F C -1.287 174.267 175.800 -0.410 0.000 1.130 89 F CA -1.269 56.214 58.000 -0.862 0.000 0.962 89 F CB 1.608 39.688 39.000 -1.533 0.000 1.171 89 F HN -0.501 7.451 8.300 -0.580 0.000 0.436 90 N N 9.643 127.891 118.700 -0.753 0.000 2.626 90 N HA 0.443 4.910 4.740 -0.454 0.000 0.249 90 N C -1.401 173.638 175.510 -0.785 0.000 1.021 90 N CA -3.087 49.630 53.050 -0.556 0.000 0.886 90 N CB 0.350 38.696 38.487 -0.235 0.000 1.149 90 N HN 0.234 nan 8.380 nan 0.000 0.517 91 P HA -0.016 3.898 4.420 -0.842 0.000 0.221 91 P C 0.882 177.858 177.300 -0.540 0.000 1.150 91 P CA 1.138 63.748 63.100 -0.816 0.000 0.800 91 P CB 0.400 31.684 31.700 -0.693 0.000 0.787 92 F N -1.607 118.195 119.950 -0.247 0.000 2.546 92 F HA -0.202 4.237 4.527 -0.148 0.000 0.298 92 F C 1.450 177.151 175.800 -0.165 0.000 1.120 92 F CA 1.867 59.765 58.000 -0.170 0.000 1.456 92 F CB -0.809 38.109 39.000 -0.136 0.000 1.088 92 F HN -0.581 7.540 8.300 -0.504 -0.123 0.572 93 K N -2.693 117.667 120.400 -0.067 0.000 2.365 93 K HA -0.123 4.167 4.320 -0.051 0.000 0.199 93 K C 0.591 177.127 176.600 -0.107 0.000 1.045 93 K CA 0.959 57.196 56.287 -0.085 0.000 0.962 93 K CB 0.301 32.729 32.500 -0.120 0.000 0.759 93 K HN -0.694 7.422 8.250 -0.140 0.050 0.469 94 R N -2.247 118.162 120.500 -0.150 0.000 2.629 94 R HA 0.594 4.927 4.340 -0.179 -0.101 0.277 94 R C -2.050 174.122 176.300 -0.214 0.000 1.637 94 R CA -3.144 52.836 56.100 -0.201 0.000 1.663 94 R CB -0.726 29.426 30.300 -0.248 0.000 1.228 94 R HN -0.690 7.428 8.270 -0.175 0.048 0.632 95 P HA 0.029 4.393 4.420 -0.094 0.000 0.233 95 P C -0.272 176.957 177.300 -0.118 0.000 1.167 95 P CA 1.334 64.376 63.100 -0.096 0.000 0.770 95 P CB 0.291 31.975 31.700 -0.026 0.000 0.837 96 E N -2.109 117.991 120.200 -0.166 0.000 2.481 96 E HA 0.059 4.347 4.350 -0.104 0.000 0.198 96 E C -0.403 176.074 176.600 -0.206 0.000 1.027 96 E CA -0.448 55.861 56.400 -0.152 0.000 0.900 96 E CB -0.341 29.276 29.700 -0.139 0.000 0.993 96 E HN -0.017 8.165 8.360 -0.197 0.060 0.482 97 V N -4.929 114.788 119.914 -0.327 0.000 3.126 97 V HA 0.344 4.338 4.120 -0.211 0.000 0.314 97 V C -1.040 174.946 176.094 -0.179 0.000 1.138 97 V CA -3.167 58.898 62.300 -0.392 0.000 1.034 97 V CB 2.212 33.311 31.823 -1.208 0.000 1.075 97 V HN -0.863 7.059 8.190 -0.345 0.061 0.442 98 V N 1.121 121.086 119.914 0.084 0.000 2.439 98 V HA 0.082 4.280 4.120 0.130 0.000 0.271 98 V C -0.207 176.071 176.094 0.306 0.000 1.040 98 V CA 0.821 63.253 62.300 0.221 0.000 1.002 98 V CB -0.649 31.395 31.823 0.369 0.000 1.000 98 V HN 0.278 8.578 8.190 0.183 0.000 0.477 99 T N 3.504 118.169 114.554 0.184 0.000 2.985 99 T HA 0.177 4.801 4.350 0.457 0.000 0.254 99 T C -0.420 174.414 174.700 0.223 0.000 1.021 99 T CA -0.096 62.171 62.100 0.279 0.000 0.957 99 T CB 0.931 69.877 68.868 0.131 0.000 1.047 99 T HN 0.361 8.663 8.240 0.103 0.000 0.511 100 M N 1.454 121.108 119.600 0.091 0.000 2.433 100 M HA 0.557 5.162 4.480 -0.061 -0.162 0.290 100 M C -1.492 174.758 176.300 -0.084 0.000 1.173 100 M CA -1.606 53.682 55.300 -0.020 0.000 0.905 100 M CB 3.895 36.483 32.600 -0.020 0.000 1.692 100 M HN -0.736 7.608 8.290 0.091 0.000 0.462 101 T N 0.606 114.989 114.554 -0.286 0.000 2.881 101 T HA 0.477 4.694 4.350 -0.222 0.000 0.278 101 T C 1.190 175.663 174.700 -0.378 0.000 0.982 101 T CA -1.560 60.253 62.100 -0.478 0.000 0.989 101 T CB 1.807 69.846 68.868 -1.382 0.000 1.058 101 T HN 0.458 8.486 8.240 -0.353 0.000 0.529 102 K N -0.510 119.750 120.400 -0.232 0.000 2.283 102 K HA -0.142 4.185 4.320 0.010 0.000 0.202 102 K C -0.315 176.364 176.600 0.133 0.000 1.048 102 K CA 2.334 58.640 56.287 0.031 0.000 0.948 102 K CB -0.656 31.947 32.500 0.172 0.000 0.742 102 K HN 0.601 8.705 8.250 -0.243 0.000 0.458 103 W N -4.371 116.988 121.300 0.099 0.000 3.325 103 W HA 0.183 4.882 4.660 0.065 0.000 0.370 103 W C -0.941 175.617 176.519 0.065 0.000 1.169 103 W CA -1.787 55.604 57.345 0.077 0.000 1.874 103 W CB -0.200 29.308 29.460 0.080 0.000 1.076 103 W HN -0.983 7.055 8.180 -0.180 0.034 0.684 104 K N -6.117 114.201 120.400 -0.137 0.000 3.339 104 K HA -0.408 3.840 4.320 -0.120 0.000 0.299 104 K C -0.454 176.057 176.600 -0.148 0.000 1.270 104 K CA 0.532 56.759 56.287 -0.101 0.000 0.875 104 K CB -3.436 29.073 32.500 0.015 0.000 1.298 104 K HN -0.449 7.470 8.250 -0.233 0.191 0.485 105 A N -0.112 122.506 122.820 -0.337 0.000 2.331 105 A HA 0.313 4.566 4.320 -0.111 0.000 0.283 105 A C -2.359 175.051 177.584 -0.289 0.000 1.142 105 A CA -2.223 49.677 52.037 -0.229 0.000 0.812 105 A CB 0.790 19.706 19.000 -0.139 0.000 1.074 105 A HN -0.354 7.366 8.150 -0.637 0.048 0.497 106 P HA -0.009 4.269 4.420 -0.476 -0.144 0.275 106 P C -1.660 175.448 177.300 -0.320 0.000 1.228 106 P CA -0.720 62.046 63.100 -0.556 0.000 0.786 106 P CB 0.766 31.729 31.700 -1.228 0.000 0.927 107 V N 1.950 121.787 119.914 -0.127 0.000 2.328 107 V HA 0.322 4.561 4.120 -0.132 -0.199 0.278 107 V C 0.034 176.226 176.094 0.163 0.000 1.021 107 V CA -1.672 60.618 62.300 -0.016 0.000 0.838 107 V CB 0.185 32.065 31.823 0.094 0.000 0.999 107 V HN -0.153 7.925 8.190 -0.020 0.101 0.447 108 V N 8.252 128.173 119.914 0.010 0.000 2.389 108 V HA 0.024 4.460 4.120 0.527 0.000 0.264 108 V C -0.976 175.218 176.094 0.167 0.000 1.049 108 V CA -0.454 61.978 62.300 0.220 0.000 0.932 108 V CB -1.182 30.680 31.823 0.064 0.000 1.011 108 V HN 0.498 8.612 8.190 -0.126 0.000 0.475 109 W N 7.377 128.882 121.300 0.342 0.000 2.639 109 W HA 0.357 5.292 4.660 0.234 -0.134 0.347 109 W C -0.486 176.209 176.519 0.293 0.000 1.067 109 W CA -1.892 55.602 57.345 0.248 0.000 1.218 109 W CB 2.766 32.293 29.460 0.112 0.000 1.393 109 W HN -0.193 8.410 8.180 0.705 0.000 0.557 110 E N 1.087 121.552 120.200 0.441 0.000 2.529 110 E HA -0.234 4.344 4.350 0.381 0.000 0.259 110 E C 1.093 177.749 176.600 0.094 0.000 0.966 110 E CA 1.526 58.083 56.400 0.263 0.000 0.937 110 E CB 0.534 30.307 29.700 0.122 0.000 0.923 110 E HN 0.303 9.278 8.360 0.394 -0.379 0.468 111 G N 5.387 114.104 108.800 -0.139 0.000 2.279 111 G HA2 -0.399 3.504 3.960 -0.096 0.000 0.223 111 G HA3 -0.399 3.433 3.960 -0.214 0.000 0.223 111 G C 0.353 175.149 174.900 -0.174 0.000 1.015 111 G CA 1.069 46.070 45.100 -0.166 0.000 0.621 111 G HN 0.585 8.676 8.290 -0.331 0.000 0.506 112 T N -1.207 113.311 114.554 -0.061 0.000 3.067 112 T HA -0.027 4.318 4.350 -0.234 -0.136 0.257 112 T C -0.629 174.082 174.700 0.019 0.000 1.105 112 T CA 1.232 63.266 62.100 -0.109 0.000 1.104 112 T CB 1.342 70.156 68.868 -0.091 0.000 0.925 112 T HN -0.347 7.857 8.240 0.065 0.075 0.498 113 Y N 0.380 120.809 120.300 0.215 0.000 2.420 113 Y HA 0.697 5.721 4.550 0.484 -0.183 0.334 113 Y C 0.337 176.402 175.900 0.275 0.000 1.094 113 Y CA -2.976 55.359 58.100 0.392 0.000 1.126 113 Y CB 0.623 39.392 38.460 0.514 0.000 1.217 113 Y HN -0.605 7.471 8.280 -0.264 0.047 0.462 114 N N 5.708 124.697 118.700 0.482 0.000 2.817 114 N HA 0.210 5.071 4.740 0.201 0.000 0.234 114 N C 0.093 175.823 175.510 0.366 0.000 1.066 114 N CA -1.201 52.036 53.050 0.313 0.000 0.926 114 N CB -0.480 38.151 38.487 0.240 0.000 1.176 114 N HN 0.240 nan 8.380 nan 0.000 0.506 115 R N 4.313 125.053 120.500 0.400 0.000 2.115 115 R HA -0.369 4.147 4.340 0.293 0.000 0.230 115 R C 0.906 177.335 176.300 0.216 0.000 1.111 115 R CA 2.727 59.020 56.100 0.322 0.000 0.976 115 R CB 0.330 30.838 30.300 0.345 0.000 0.870 115 R HN 0.497 9.007 8.270 0.401 0.000 0.445 116 A N -1.020 121.911 122.820 0.184 0.000 1.877 116 A HA -0.200 4.204 4.320 0.140 0.000 0.216 116 A C 1.264 178.933 177.584 0.142 0.000 1.186 116 A CA 2.668 54.791 52.037 0.143 0.000 0.620 116 A CB -0.769 18.298 19.000 0.111 0.000 0.822 116 A HN -0.274 8.034 8.150 0.186 -0.047 0.443 117 V N -1.860 118.143 119.914 0.149 0.000 2.287 117 V HA -0.384 3.809 4.120 0.121 0.000 0.248 117 V C 1.808 177.978 176.094 0.127 0.000 1.053 117 V CA 3.312 65.694 62.300 0.136 0.000 1.027 117 V CB -0.243 31.672 31.823 0.153 0.000 0.646 117 V HN -0.713 7.829 8.190 0.160 -0.256 0.447 118 L N -0.717 120.581 121.223 0.125 0.000 2.056 118 L HA -0.438 3.879 4.340 -0.037 0.000 0.207 118 L C 2.025 179.024 176.870 0.214 0.000 1.078 118 L CA 3.260 58.145 54.840 0.075 0.000 0.749 118 L CB -0.673 41.399 42.059 0.023 0.000 0.901 118 L HN -0.734 7.591 8.230 0.157 0.000 0.433 119 D N 0.046 120.591 120.400 0.241 0.000 2.123 119 D HA -0.357 4.567 4.640 0.474 0.000 0.196 119 D C 2.732 179.197 176.300 0.276 0.000 0.992 119 D CA 3.072 57.273 54.000 0.334 0.000 0.833 119 D CB -0.603 40.354 40.800 0.261 0.000 0.954 119 D HN 0.218 8.712 8.370 0.207 0.000 0.455 120 N N 0.688 119.497 118.700 0.182 0.000 2.106 120 N HA -0.208 4.602 4.740 0.117 0.000 0.188 120 N C 1.875 177.465 175.510 0.133 0.000 1.029 120 N CA 1.546 54.677 53.050 0.135 0.000 0.848 120 N CB -0.054 38.498 38.487 0.108 0.000 1.007 120 N HN 0.020 nan 8.380 nan 0.000 0.423 121 Y N 1.330 121.618 120.300 -0.020 0.000 2.097 121 Y HA -0.537 3.964 4.550 -0.080 0.000 0.282 121 Y C 1.942 177.776 175.900 -0.110 0.000 1.152 121 Y CA 3.465 61.486 58.100 -0.131 0.000 1.136 121 Y CB 0.459 38.731 38.460 -0.314 0.000 0.975 121 Y HN -0.513 7.893 8.280 0.210 0.000 0.498 122 Y N -3.968 116.392 120.300 0.100 0.000 2.314 122 Y HA -0.467 4.001 4.550 -0.138 0.000 0.293 122 Y C 1.901 177.839 175.900 0.063 0.000 1.129 122 Y CA 2.369 60.465 58.100 -0.006 0.000 1.201 122 Y CB -0.023 38.411 38.460 -0.043 0.000 0.999 122 Y HN -0.241 8.143 8.280 0.174 0.000 0.541 123 A N -1.169 121.843 122.820 0.320 0.000 1.933 123 A HA -0.284 4.190 4.320 0.255 0.000 0.218 123 A C 2.117 179.747 177.584 0.077 0.000 1.175 123 A CA 2.645 54.806 52.037 0.207 0.000 0.628 123 A CB -0.852 18.227 19.000 0.130 0.000 0.814 123 A HN -0.116 8.249 8.150 0.359 0.000 0.444 124 K N -1.126 119.280 120.400 0.010 0.000 2.211 124 K HA -0.277 4.035 4.320 -0.013 0.000 0.203 124 K C 2.074 178.636 176.600 -0.064 0.000 1.050 124 K CA 2.506 58.769 56.287 -0.040 0.000 0.945 124 K CB -0.138 32.318 32.500 -0.073 0.000 0.732 124 K HN -0.514 7.740 8.250 0.008 0.000 0.451 125 Q N -4.077 115.666 119.800 -0.094 0.000 2.451 125 Q HA -0.005 4.291 4.340 -0.072 0.000 0.206 125 Q C -0.909 175.104 176.000 0.021 0.000 0.947 125 Q CA -0.121 55.647 55.803 -0.058 0.000 0.937 125 Q CB 0.444 29.126 28.738 -0.093 0.000 1.025 125 Q HN -0.660 7.430 8.270 -0.121 0.107 0.511 126 K N -2.729 117.704 120.400 0.056 0.000 3.653 126 K HA -0.407 3.968 4.320 0.093 0.000 0.275 126 K C -0.505 176.146 176.600 0.086 0.000 0.962 126 K CA 0.377 56.707 56.287 0.072 0.000 0.773 126 K CB -2.530 29.994 32.500 0.040 0.000 1.463 126 K HN -0.497 7.602 8.250 0.058 0.186 0.450 127 I N -4.935 115.712 120.570 0.129 0.000 2.764 127 I HA 0.417 4.820 4.170 0.087 -0.181 0.294 127 I C -0.151 176.023 176.117 0.095 0.000 1.045 127 I CA -1.112 60.253 61.300 0.108 0.000 1.340 127 I CB 1.436 39.510 38.000 0.124 0.000 1.436 127 I HN -0.722 7.589 8.210 0.167 0.000 0.567 128 T N 3.438 118.038 114.554 0.076 0.000 2.863 128 T HA 0.531 5.096 4.350 0.068 -0.173 0.285 128 T C -1.216 173.540 174.700 0.094 0.000 1.009 128 T CA -0.958 61.185 62.100 0.071 0.000 0.989 128 T CB 2.773 71.678 68.868 0.062 0.000 1.004 128 T HN -0.108 8.459 8.240 0.070 -0.285 0.455 129 V N 5.027 124.999 119.914 0.096 0.000 2.495 129 V HA 0.509 4.916 4.120 0.207 -0.163 0.298 129 V C -0.894 175.352 176.094 0.253 0.000 1.031 129 V CA -1.661 60.744 62.300 0.175 0.000 0.871 129 V CB 2.112 33.991 31.823 0.093 0.000 0.988 129 V HN 0.320 8.551 8.190 0.069 0.000 0.432 130 G N 4.706 113.702 108.800 0.327 0.000 2.437 130 G HA2 0.826 5.080 3.960 0.489 0.000 0.319 130 G HA3 0.826 5.101 3.960 0.237 -0.173 0.319 130 G C -3.027 172.139 174.900 0.443 0.000 1.158 130 G CA -2.082 43.245 45.100 0.378 0.000 0.899 130 G HN 0.495 8.973 8.290 0.313 0.000 0.502 131 L N 1.825 123.272 121.223 0.374 0.000 2.482 131 L HA 0.857 5.581 4.340 0.276 -0.218 0.269 131 L C -1.880 175.190 176.870 0.333 0.000 0.967 131 L CA -1.195 53.815 54.840 0.283 0.000 0.851 131 L CB 4.199 46.291 42.059 0.055 0.000 1.242 131 L HN -0.012 8.400 8.230 0.303 0.000 0.404 132 T N 4.772 119.474 114.554 0.246 0.000 2.882 132 T HA 0.782 5.462 4.350 0.231 -0.192 0.287 132 T C -1.546 173.189 174.700 0.059 0.000 0.992 132 T CA -1.853 60.346 62.100 0.166 0.000 1.076 132 T CB 1.536 70.458 68.868 0.090 0.000 0.961 132 T HN 0.548 8.906 8.240 0.197 0.000 0.490 133 V N 3.184 123.078 119.914 -0.033 0.000 2.851 133 V HA 0.600 4.844 4.120 -0.063 -0.161 0.307 133 V C -2.875 173.129 176.094 -0.150 0.000 1.129 133 V CA -1.829 60.394 62.300 -0.128 0.000 0.932 133 V CB 3.818 35.402 31.823 -0.398 0.000 1.024 133 V HN 0.032 8.188 8.190 -0.057 0.000 0.426 134 F N 7.673 127.522 119.950 -0.168 0.000 2.443 134 F HA 0.646 5.325 4.527 -0.072 -0.195 0.335 134 F C -1.484 174.253 175.800 -0.106 0.000 1.104 134 F CA -2.146 55.787 58.000 -0.112 0.000 1.013 134 F CB 2.543 41.474 39.000 -0.115 0.000 1.136 134 F HN 0.120 8.568 8.300 0.247 0.000 0.470 135 A N 3.965 126.843 122.820 0.096 0.000 2.446 135 A HA 0.418 4.804 4.320 0.110 0.000 0.282 135 A C -2.493 175.153 177.584 0.103 0.000 1.102 135 A CA -0.395 51.707 52.037 0.108 0.000 0.737 135 A CB 2.223 21.293 19.000 0.118 0.000 1.212 135 A HN 0.674 8.863 8.150 0.065 0.000 0.434 136 V N 4.929 124.889 119.914 0.076 0.000 2.487 136 V HA 0.493 4.858 4.120 0.087 -0.192 0.298 136 V C 1.202 177.367 176.094 0.120 0.000 1.028 136 V CA -2.027 60.317 62.300 0.074 0.000 0.860 136 V CB 2.426 34.273 31.823 0.040 0.000 0.991 136 V HN 0.120 8.320 8.190 0.018 0.000 0.427 137 G N 6.882 115.757 108.800 0.125 0.000 2.539 137 G HA2 -0.362 3.696 3.960 0.163 0.000 0.256 137 G HA3 -0.362 3.664 3.960 0.110 0.000 0.256 137 G C 0.847 175.849 174.900 0.169 0.000 1.233 137 G CA 0.385 45.572 45.100 0.144 0.000 0.936 137 G HN 0.133 8.770 8.290 0.102 -0.286 0.571 138 R N 2.178 122.772 120.500 0.158 0.000 2.316 138 R HA 0.015 4.619 4.340 0.083 -0.214 0.202 138 R C 2.144 178.470 176.300 0.043 0.000 1.029 138 R CA 0.414 56.558 56.100 0.073 0.000 1.018 138 R CB -0.321 29.967 30.300 -0.021 0.000 0.888 138 R HN 0.428 8.797 8.270 0.166 0.000 0.471 139 Y N -0.375 119.934 120.300 0.015 0.000 2.315 139 Y HA -0.342 4.247 4.550 0.065 0.000 0.288 139 Y C 2.102 178.052 175.900 0.084 0.000 1.154 139 Y CA 3.227 61.389 58.100 0.103 0.000 1.229 139 Y CB -0.651 37.932 38.460 0.205 0.000 0.980 139 Y HN -0.854 7.686 8.280 0.511 0.047 0.540 140 I N -1.464 119.228 120.570 0.204 0.000 2.113 140 I HA -0.613 3.639 4.170 0.137 0.000 0.238 140 I C 2.093 178.251 176.117 0.068 0.000 1.070 140 I CA 4.168 65.543 61.300 0.125 0.000 1.332 140 I CB -0.415 37.642 38.000 0.094 0.000 1.044 140 I HN -0.396 7.911 8.210 0.212 0.030 0.402 141 E N -2.959 117.268 120.200 0.045 0.000 2.110 141 E HA -0.275 4.068 4.350 -0.012 0.000 0.193 141 E C 1.832 178.377 176.600 -0.093 0.000 0.988 141 E CA 2.973 59.370 56.400 -0.005 0.000 0.804 141 E CB -0.327 29.382 29.700 0.014 0.000 0.745 141 E HN 0.165 8.563 8.360 0.065 0.000 0.458 142 H N -4.114 114.755 119.070 -0.335 0.000 2.403 142 H HA -0.097 4.198 4.556 -0.434 0.000 0.298 142 H C 1.361 176.342 175.328 -0.578 0.000 1.059 142 H CA 3.085 58.747 56.048 -0.643 0.000 1.363 142 H CB 1.358 30.357 29.762 -1.272 0.000 1.410 142 H HN -0.390 7.875 8.280 -0.024 0.000 0.528 143 Y N -6.875 113.509 120.300 0.140 0.000 2.494 143 Y HA 0.094 4.715 4.550 0.117 0.000 0.271 143 Y C 0.496 176.472 175.900 0.126 0.000 1.113 143 Y CA 0.069 58.244 58.100 0.126 0.000 1.240 143 Y CB 1.745 40.284 38.460 0.133 0.000 1.268 143 Y HN -0.486 7.760 8.280 -0.057 0.000 0.510 144 L N 1.284 122.636 121.223 0.216 0.000 2.056 144 L HA -0.294 4.162 4.340 0.194 0.000 0.207 144 L C 0.782 177.734 176.870 0.137 0.000 1.078 144 L CA 3.091 58.030 54.840 0.165 0.000 0.749 144 L CB -0.060 42.056 42.059 0.095 0.000 0.901 144 L HN -0.594 7.737 8.230 0.168 0.000 0.433 145 E N 0.115 120.363 120.200 0.080 0.000 2.038 145 E HA -0.482 3.871 4.350 0.005 0.000 0.195 145 E C 1.963 178.599 176.600 0.061 0.000 1.000 145 E CA 3.697 60.118 56.400 0.036 0.000 0.803 145 E CB -0.732 28.974 29.700 0.009 0.000 0.750 145 E HN 0.193 8.595 8.360 0.070 0.000 0.448 146 E N -0.787 119.479 120.200 0.109 0.000 2.110 146 E HA -0.301 4.093 4.350 0.073 0.000 0.193 146 E C 2.538 179.218 176.600 0.134 0.000 0.988 146 E CA 2.673 59.142 56.400 0.115 0.000 0.804 146 E CB -0.375 29.416 29.700 0.152 0.000 0.745 146 E HN -0.185 8.248 8.360 0.122 0.000 0.458 147 F N 1.773 121.757 119.950 0.056 0.000 2.075 147 F HA -0.320 4.256 4.527 0.082 0.000 0.297 147 F C 1.560 177.337 175.800 -0.038 0.000 1.113 147 F CA 3.754 61.777 58.000 0.038 0.000 1.218 147 F CB 0.365 39.373 39.000 0.013 0.000 0.984 147 F HN -0.397 8.103 8.300 0.334 0.000 0.472 148 L N -3.188 118.023 121.223 -0.019 0.000 2.056 148 L HA -0.386 3.644 4.340 -0.516 0.000 0.207 148 L C 1.712 178.404 176.870 -0.295 0.000 1.078 148 L CA 2.968 57.636 54.840 -0.286 0.000 0.749 148 L CB -0.317 41.619 42.059 -0.205 0.000 0.901 148 L HN -0.216 8.097 8.230 0.139 0.000 0.433 149 T N -1.912 112.554 114.554 -0.148 0.000 2.720 149 T HA -0.329 3.952 4.350 -0.114 0.000 0.268 149 T C 1.861 176.486 174.700 -0.126 0.000 1.037 149 T CA 3.964 65.997 62.100 -0.111 0.000 1.144 149 T CB 0.196 69.034 68.868 -0.049 0.000 0.864 149 T HN -0.176 8.009 8.240 -0.092 0.000 0.444 150 S N 1.744 117.385 115.700 -0.098 0.000 2.387 150 S HA -0.287 4.193 4.470 0.018 0.000 0.226 150 S C 1.624 176.100 174.600 -0.207 0.000 1.026 150 S CA 3.428 61.624 58.200 -0.007 0.000 0.972 150 S CB -0.439 62.862 63.200 0.169 0.000 0.814 150 S HN -0.582 7.676 8.310 -0.086 0.000 0.477 151 A N 2.511 125.023 122.820 -0.514 0.000 1.902 151 A HA -0.439 2.887 4.320 -1.656 0.000 0.217 151 A C 2.292 179.655 177.584 -0.369 0.000 1.181 151 A CA 2.968 54.437 52.037 -0.946 0.000 0.623 151 A CB -0.912 17.401 19.000 -1.146 0.000 0.818 151 A HN 0.001 7.857 8.150 -0.490 0.000 0.443 152 N N -0.378 118.198 118.700 -0.207 0.000 2.094 152 N HA -0.259 4.647 4.740 0.277 0.000 0.191 152 N C 2.130 177.601 175.510 -0.065 0.000 1.023 152 N CA 1.638 54.713 53.050 0.042 0.000 0.857 152 N CB -0.195 38.297 38.487 0.009 0.000 1.013 152 N HN 0.330 nan 8.380 nan 0.000 0.426 153 K N -1.534 118.743 120.400 -0.204 0.000 2.103 153 K HA -0.212 3.960 4.320 -0.247 0.000 0.204 153 K C 1.934 178.304 176.600 -0.383 0.000 1.052 153 K CA 2.242 58.318 56.287 -0.352 0.000 0.945 153 K CB 0.389 32.542 32.500 -0.579 0.000 0.722 153 K HN -0.422 7.679 8.250 -0.224 0.015 0.443 154 H N -5.880 113.122 119.070 -0.113 0.000 3.255 154 H HA 0.217 4.775 4.556 0.004 0.000 0.256 154 H C -1.198 174.089 175.328 -0.068 0.000 1.049 154 H CA -0.438 55.571 56.048 -0.065 0.000 1.202 154 H CB 2.531 32.295 29.762 0.004 0.000 1.497 154 H HN -0.603 7.534 8.280 -0.237 0.000 0.503 155 F N 2.700 122.476 119.950 -0.291 0.000 2.404 155 F HA 0.303 4.890 4.527 -0.154 -0.153 0.358 155 F C -0.913 174.869 175.800 -0.031 0.000 1.120 155 F CA -0.909 56.937 58.000 -0.256 0.000 1.144 155 F CB 1.069 39.773 39.000 -0.494 0.000 1.133 155 F HN -0.348 7.898 8.300 -0.090 0.000 0.495 156 M N 3.625 123.002 119.600 -0.372 0.000 2.302 156 M HA -0.384 3.967 4.480 -0.214 0.000 0.200 156 M C -1.560 174.726 176.300 -0.024 0.000 0.366 156 M CA 0.407 55.531 55.300 -0.293 0.000 0.440 156 M CB -3.056 29.206 32.600 -0.564 0.000 1.475 156 M HN 0.566 8.683 8.290 -0.289 0.000 0.905 157 V N -0.219 119.706 119.914 0.019 0.000 2.673 157 V HA -0.308 3.813 4.120 0.002 0.000 0.303 157 V C 0.949 177.048 176.094 0.009 0.000 1.046 157 V CA 1.779 64.090 62.300 0.020 0.000 1.126 157 V CB -0.334 31.504 31.823 0.025 0.000 0.934 157 V HN 0.101 8.304 8.190 0.020 0.000 0.487 158 G N 6.899 115.649 108.800 -0.084 0.000 2.176 158 G HA2 -0.264 3.515 3.960 -0.302 0.000 0.232 158 G HA3 -0.264 3.579 3.960 -0.195 0.000 0.232 158 G C -0.529 174.056 174.900 -0.525 0.000 0.986 158 G CA 0.020 44.963 45.100 -0.261 0.000 0.643 158 G HN 0.506 8.758 8.290 -0.063 0.000 0.522 159 H N 0.359 119.404 119.070 -0.040 0.000 2.690 159 H HA 0.480 5.023 4.556 -0.022 0.000 0.368 159 H C -2.768 172.527 175.328 -0.055 0.000 1.150 159 H CA -2.514 53.509 56.048 -0.042 0.000 1.174 159 H CB 2.013 31.739 29.762 -0.060 0.000 1.684 159 H HN -0.496 7.699 8.280 -0.030 0.068 0.538 160 P HA 0.061 4.657 4.420 -0.028 -0.192 0.267 160 P C -1.132 176.161 177.300 -0.011 0.000 1.205 160 P CA 0.139 63.241 63.100 0.004 0.000 0.765 160 P CB 0.400 32.107 31.700 0.010 0.000 0.828 161 V N -2.125 117.732 119.914 -0.095 0.000 2.789 161 V HA 1.066 5.395 4.120 -0.049 -0.238 0.311 161 V C -1.944 173.950 176.094 -0.334 0.000 1.073 161 V CA -3.001 59.206 62.300 -0.156 0.000 0.921 161 V CB 4.126 35.865 31.823 -0.140 0.000 1.009 161 V HN 0.411 8.527 8.190 -0.124 0.000 0.426 162 I N 3.036 123.412 120.570 -0.323 0.000 2.418 162 I HA 0.400 4.490 4.170 -0.441 -0.185 0.287 162 I C -1.149 174.646 176.117 -0.536 0.000 1.008 162 I CA -1.218 59.808 61.300 -0.457 0.000 1.104 162 I CB 2.321 40.063 38.000 -0.430 0.000 1.264 162 I HN -0.184 7.914 8.210 -0.187 0.000 0.438 163 F N 5.624 125.442 119.950 -0.220 0.000 2.411 163 F HA 0.272 4.874 4.527 -0.127 -0.151 0.355 163 F C -0.557 175.146 175.800 -0.162 0.000 1.117 163 F CA -1.777 56.139 58.000 -0.140 0.000 1.139 163 F CB 1.394 40.388 39.000 -0.011 0.000 1.120 163 F HN 0.201 8.285 8.300 -0.360 0.000 0.493 164 Y N 2.605 123.088 120.300 0.305 0.000 2.369 164 Y HA 0.388 5.268 4.550 0.284 -0.159 0.337 164 Y C -0.801 175.162 175.900 0.105 0.000 0.961 164 Y CA -1.781 56.461 58.100 0.235 0.000 1.186 164 Y CB 0.772 39.356 38.460 0.207 0.000 1.139 164 Y HN 0.584 9.021 8.280 0.262 0.000 0.494 165 I N 3.990 124.702 120.570 0.235 0.000 2.362 165 I HA 0.397 4.730 4.170 -0.011 -0.169 0.289 165 I C -1.254 174.865 176.117 0.002 0.000 0.994 165 I CA -1.043 60.297 61.300 0.066 0.000 1.158 165 I CB 2.195 40.249 38.000 0.089 0.000 1.315 165 I HN 0.389 8.776 8.210 0.295 0.000 0.451 166 M N 8.995 128.456 119.600 -0.232 0.000 2.101 166 M HA 0.634 5.231 4.480 -0.105 -0.181 0.340 166 M C -1.652 174.567 176.300 -0.135 0.000 1.057 166 M CA -1.604 53.516 55.300 -0.299 0.000 0.984 166 M CB 0.865 32.901 32.600 -0.940 0.000 1.560 166 M HN 0.312 8.404 8.290 -0.329 0.000 0.435 167 V N -1.324 118.584 119.914 -0.010 0.000 3.040 167 V HA 0.921 5.278 4.120 0.045 -0.210 0.312 167 V C -0.418 175.711 176.094 0.059 0.000 1.115 167 V CA -3.669 58.653 62.300 0.037 0.000 0.998 167 V CB 3.874 35.722 31.823 0.041 0.000 1.042 167 V HN 0.378 8.577 8.190 0.015 0.000 0.433 168 D N -0.402 120.038 120.400 0.066 0.000 2.333 168 D HA 0.047 4.942 4.640 0.067 -0.215 0.208 168 D C -0.742 175.592 176.300 0.056 0.000 0.984 168 D CA 1.531 55.570 54.000 0.064 0.000 0.873 168 D CB 0.831 41.670 40.800 0.064 0.000 0.935 168 D HN 0.206 8.618 8.370 0.070 0.000 0.521 169 D N -1.380 119.051 120.400 0.053 0.000 2.336 169 D HA 0.210 4.876 4.640 0.043 0.000 0.248 169 D C 0.321 176.646 176.300 0.042 0.000 1.326 169 D CA -0.842 53.185 54.000 0.046 0.000 0.973 169 D CB 1.536 42.362 40.800 0.045 0.000 1.255 169 D HN -0.460 7.900 8.370 0.056 0.043 0.558 170 V N 5.120 125.058 119.914 0.040 0.000 2.626 170 V HA -0.249 3.895 4.120 0.041 0.000 0.252 170 V C 1.401 177.516 176.094 0.034 0.000 1.067 170 V CA 2.038 64.361 62.300 0.038 0.000 1.081 170 V CB -0.234 31.608 31.823 0.033 0.000 0.686 170 V HN 0.491 8.704 8.190 0.039 0.000 0.468 171 S N -0.013 115.705 115.700 0.030 0.000 2.507 171 S HA -0.240 4.245 4.470 0.025 0.000 0.235 171 S C 0.763 175.378 174.600 0.025 0.000 0.988 171 S CA 2.525 60.741 58.200 0.026 0.000 0.944 171 S CB -0.373 62.840 63.200 0.022 0.000 0.762 171 S HN -0.435 8.020 8.310 0.030 -0.126 0.526 172 R N -0.240 120.277 120.500 0.029 0.000 2.393 172 R HA 0.163 4.516 4.340 0.022 0.000 0.244 172 R C -0.445 175.869 176.300 0.024 0.000 0.920 172 R CA -0.804 55.312 56.100 0.026 0.000 1.076 172 R CB 0.495 30.815 30.300 0.033 0.000 1.119 172 R HN -0.829 7.411 8.270 0.032 0.049 0.524 173 M N 2.734 122.350 119.600 0.025 0.000 2.303 173 M HA -0.007 4.483 4.480 0.016 0.000 0.350 173 M C -2.053 174.247 176.300 -0.001 0.000 1.518 173 M CA -1.503 53.808 55.300 0.017 0.000 1.070 173 M CB 0.604 33.224 32.600 0.033 0.000 1.910 173 M HN -0.954 7.179 8.290 0.029 0.175 0.458 174 P HA 0.104 4.511 4.420 -0.023 0.000 0.275 174 P C -1.616 175.639 177.300 -0.075 0.000 1.276 174 P CA -0.602 62.477 63.100 -0.035 0.000 0.782 174 P CB 0.111 31.791 31.700 -0.033 0.000 0.851 175 L N 6.472 127.660 121.223 -0.059 0.000 2.648 175 L HA 0.107 4.343 4.340 -0.173 0.000 0.238 175 L C 0.304 177.121 176.870 -0.087 0.000 1.316 175 L CA -1.070 53.720 54.840 -0.084 0.000 1.241 175 L CB -1.494 40.576 42.059 0.020 0.000 1.499 175 L HN 0.217 8.429 8.230 -0.031 0.000 0.411 176 I N -2.097 118.399 120.570 -0.124 0.000 3.094 176 I HA -0.146 3.988 4.170 -0.060 0.000 0.291 176 I C -0.148 175.926 176.117 -0.072 0.000 1.250 176 I CA 0.022 61.267 61.300 -0.091 0.000 1.401 176 I CB 0.696 38.633 38.000 -0.104 0.000 1.343 176 I HN -0.696 7.361 8.210 -0.155 0.061 0.599 177 E N 2.915 123.093 120.200 -0.036 0.000 2.316 177 E HA -0.002 4.351 4.350 0.005 0.000 0.275 177 E C -0.944 175.652 176.600 -0.007 0.000 1.029 177 E CA -0.336 56.058 56.400 -0.010 0.000 0.871 177 E CB 0.434 30.132 29.700 -0.004 0.000 1.022 177 E HN 0.038 8.377 8.360 -0.034 0.000 0.418 178 L N 4.984 126.222 121.223 0.023 0.000 2.344 178 L HA 0.112 4.586 4.340 0.043 -0.108 0.272 178 L C 0.062 176.950 176.870 0.031 0.000 1.035 178 L CA -1.032 53.836 54.840 0.047 0.000 0.807 178 L CB 1.799 43.919 42.059 0.103 0.000 1.237 178 L HN 0.095 8.348 8.230 0.037 0.000 0.442 179 G N 0.675 109.489 108.800 0.023 0.000 2.537 179 G HA2 0.446 4.404 3.960 -0.004 0.000 0.297 179 G HA3 0.446 4.407 3.960 0.001 0.000 0.297 179 G C -2.625 172.274 174.900 -0.002 0.000 1.310 179 G CA -1.969 43.133 45.100 0.004 0.000 1.027 179 G HN 0.243 8.903 8.290 0.035 -0.348 0.505 180 P HA -0.131 4.279 4.420 -0.017 0.000 0.264 180 P C -0.757 176.525 177.300 -0.030 0.000 1.183 180 P CA 1.317 64.405 63.100 -0.020 0.000 0.763 180 P CB 0.442 32.129 31.700 -0.023 0.000 0.807 181 L N -4.410 116.792 121.223 -0.035 0.000 4.937 181 L HA -0.457 3.856 4.340 -0.045 0.000 0.422 181 L C -0.844 175.978 176.870 -0.079 0.000 1.059 181 L CA 1.060 55.870 54.840 -0.049 0.000 1.111 181 L CB -1.569 40.461 42.059 -0.048 0.000 2.033 181 L HN 0.327 8.539 8.230 -0.029 0.000 0.708 182 R N -2.562 117.889 120.500 -0.081 0.000 2.532 182 R HA 0.511 4.832 4.340 -0.276 -0.147 0.295 182 R C -0.640 175.606 176.300 -0.091 0.000 0.968 182 R CA -1.168 54.837 56.100 -0.158 0.000 0.916 182 R CB 1.943 32.192 30.300 -0.085 0.000 1.124 182 R HN -0.793 7.372 8.270 -0.048 0.076 0.463 183 S N 1.359 116.976 115.700 -0.138 0.000 2.671 183 S HA 0.347 4.894 4.470 0.129 0.000 0.277 183 S C -2.379 172.275 174.600 0.089 0.000 1.165 183 S CA -1.146 57.062 58.200 0.014 0.000 0.822 183 S CB 3.201 66.373 63.200 -0.046 0.000 1.150 183 S HN 0.272 8.412 8.310 -0.283 0.000 0.479 184 F N -5.088 114.815 119.950 -0.078 0.000 2.715 184 F HA 1.003 5.572 4.527 -0.115 -0.111 0.318 184 F C -2.187 173.569 175.800 -0.073 0.000 1.141 184 F CA -1.374 56.596 58.000 -0.050 0.000 0.950 184 F CB 3.833 42.878 39.000 0.075 0.000 1.374 184 F HN 0.057 8.411 8.300 0.091 0.000 0.477 185 K N -2.892 117.502 120.400 -0.011 0.000 2.551 185 K HA 0.373 4.359 4.320 -0.557 0.000 0.269 185 K C -2.836 173.719 176.600 -0.075 0.000 0.949 185 K CA -0.947 55.176 56.287 -0.272 0.000 0.849 185 K CB 3.880 36.171 32.500 -0.348 0.000 1.411 185 K HN 0.501 8.865 8.250 0.190 0.000 0.432 186 V N 0.122 119.862 119.914 -0.291 0.000 2.680 186 V HA 0.839 5.138 4.120 -0.011 -0.186 0.309 186 V C -0.650 175.161 176.094 -0.471 0.000 1.052 186 V CA -1.330 60.871 62.300 -0.165 0.000 0.908 186 V CB 2.052 33.903 31.823 0.047 0.000 1.001 186 V HN 0.246 8.183 8.190 -0.422 0.000 0.431 187 F N 5.153 125.114 119.950 0.018 0.000 2.540 187 F HA 0.285 4.833 4.527 0.036 0.000 0.317 187 F C -1.480 174.321 175.800 0.001 0.000 1.104 187 F CA -1.351 56.659 58.000 0.017 0.000 0.913 187 F CB 4.127 43.142 39.000 0.025 0.000 1.170 187 F HN 0.647 9.015 8.300 0.113 0.000 0.450 188 K N 5.305 125.821 120.400 0.194 0.000 2.297 188 K HA 0.548 5.139 4.320 0.100 -0.211 0.286 188 K C -0.413 176.266 176.600 0.133 0.000 1.053 188 K CA -0.474 55.888 56.287 0.125 0.000 0.940 188 K CB 0.752 33.305 32.500 0.089 0.000 1.019 188 K HN 0.253 8.621 8.250 0.196 0.000 0.475 189 I N 0.965 121.596 120.570 0.102 0.000 2.846 189 I HA 0.412 4.641 4.170 0.099 0.000 0.307 189 I C -1.522 174.642 176.117 0.078 0.000 1.053 189 I CA -2.218 59.140 61.300 0.097 0.000 1.050 189 I CB 3.481 41.548 38.000 0.111 0.000 1.239 189 I HN 0.531 8.795 8.210 0.090 0.000 0.439 190 K N 2.964 123.404 120.400 0.066 0.000 2.412 190 K HA 0.133 4.481 4.320 0.048 0.000 0.281 190 K C -1.423 175.209 176.600 0.052 0.000 1.027 190 K CA -1.398 54.919 56.287 0.051 0.000 0.989 190 K CB 0.032 32.554 32.500 0.037 0.000 0.935 190 K HN 0.307 8.597 8.250 0.066 0.000 0.475 191 P HA 0.087 4.536 4.420 0.048 0.000 0.287 191 P C -1.113 176.203 177.300 0.027 0.000 1.307 191 P CA -0.513 62.612 63.100 0.043 0.000 0.777 191 P CB 0.772 32.500 31.700 0.046 0.000 0.883 192 E N 4.865 125.074 120.200 0.015 0.000 2.404 192 E HA -0.129 4.221 4.350 0.000 0.000 0.261 192 E C 0.161 176.760 176.600 -0.002 0.000 1.074 192 E CA -0.109 56.290 56.400 -0.002 0.000 0.917 192 E CB 0.577 30.263 29.700 -0.023 0.000 0.965 192 E HN 0.187 8.556 8.360 0.016 0.000 0.433 193 K N 0.730 121.123 120.400 -0.012 0.000 2.103 193 K HA -0.180 4.145 4.320 0.010 0.000 0.204 193 K C 0.724 177.314 176.600 -0.016 0.000 1.052 193 K CA 1.238 57.521 56.287 -0.007 0.000 0.945 193 K CB 0.062 32.554 32.500 -0.012 0.000 0.722 193 K HN 0.349 8.588 8.250 -0.019 0.000 0.443 194 R N -1.496 118.964 120.500 -0.067 0.000 2.368 194 R HA 0.146 4.610 4.340 -0.092 -0.178 0.302 194 R C 1.376 177.587 176.300 -0.148 0.000 1.002 194 R CA -1.481 54.535 56.100 -0.140 0.000 0.929 194 R CB 0.996 31.145 30.300 -0.251 0.000 1.073 194 R HN -0.541 7.683 8.270 -0.077 0.000 0.464 195 W N 4.626 125.867 121.300 -0.098 0.000 2.350 195 W HA -0.385 4.202 4.660 -0.122 0.000 0.289 195 W C 0.202 176.602 176.519 -0.198 0.000 1.215 195 W CA 3.154 60.420 57.345 -0.131 0.000 1.236 195 W CB -0.840 28.557 29.460 -0.105 0.000 1.130 195 W HN 0.483 8.979 8.180 0.023 -0.302 0.541 196 Q N -0.690 118.454 119.800 -1.093 0.000 2.084 196 Q HA -0.338 3.221 4.340 -1.301 0.000 0.202 196 Q C 2.133 177.845 176.000 -0.479 0.000 0.978 196 Q CA 4.232 59.348 55.803 -1.146 0.000 0.844 196 Q CB -0.972 26.969 28.738 -1.329 0.000 0.898 196 Q HN 0.214 7.622 8.270 -1.391 0.026 0.426 197 D N 0.103 120.306 120.400 -0.330 0.000 2.183 197 D HA -0.138 4.418 4.640 -0.140 0.000 0.203 197 D C 2.263 178.494 176.300 -0.115 0.000 0.969 197 D CA 2.858 56.760 54.000 -0.165 0.000 0.842 197 D CB -0.293 40.435 40.800 -0.119 0.000 0.957 197 D HN -0.670 7.476 8.370 -0.374 0.000 0.484 198 I N 0.815 121.323 120.570 -0.103 0.000 2.163 198 I HA -0.656 3.466 4.170 -0.080 0.000 0.243 198 I C 1.843 177.871 176.117 -0.150 0.000 1.085 198 I CA 4.513 65.758 61.300 -0.091 0.000 1.347 198 I CB -0.118 37.848 38.000 -0.057 0.000 1.044 198 I HN -0.403 7.664 8.210 -0.107 0.079 0.408 199 S N -0.364 115.268 115.700 -0.113 0.000 2.356 199 S HA -0.352 4.021 4.470 -0.162 0.000 0.223 199 S C 2.417 176.943 174.600 -0.123 0.000 1.032 199 S CA 3.284 61.419 58.200 -0.107 0.000 1.005 199 S CB -0.085 63.132 63.200 0.029 0.000 0.867 199 S HN -0.558 7.706 8.310 -0.077 0.000 0.449 200 M N 1.447 121.000 119.600 -0.079 0.000 2.254 200 M HA -0.253 4.226 4.480 -0.002 0.000 0.265 200 M C 2.158 178.451 176.300 -0.012 0.000 1.066 200 M CA 3.645 58.935 55.300 -0.017 0.000 1.123 200 M CB 0.303 32.910 32.600 0.011 0.000 1.388 200 M HN -0.468 7.763 8.290 -0.097 0.000 0.425 201 M N -2.468 117.092 119.600 -0.065 0.000 2.460 201 M HA -0.224 4.198 4.480 -0.095 0.000 0.263 201 M C 1.346 177.462 176.300 -0.307 0.000 1.071 201 M CA 1.333 56.552 55.300 -0.136 0.000 1.096 201 M CB -1.444 31.098 32.600 -0.097 0.000 1.408 201 M HN -0.032 8.210 8.290 -0.081 0.000 0.463 202 R N -0.545 119.695 120.500 -0.434 0.000 2.117 202 R HA -0.396 3.394 4.340 -0.917 0.000 0.243 202 R C 2.421 178.527 176.300 -0.323 0.000 1.143 202 R CA 3.240 58.914 56.100 -0.709 0.000 0.968 202 R CB -0.493 29.205 30.300 -1.004 0.000 0.863 202 R HN -0.682 7.312 8.270 -0.403 0.035 0.444 203 M N -2.093 117.372 119.600 -0.225 0.000 2.108 203 M HA -0.279 4.154 4.480 -0.078 0.000 0.261 203 M C 1.974 178.100 176.300 -0.290 0.000 1.066 203 M CA 2.468 57.677 55.300 -0.152 0.000 1.107 203 M CB -1.115 31.460 32.600 -0.041 0.000 1.356 203 M HN -0.493 7.660 8.290 -0.200 0.018 0.406 204 K N -0.262 119.732 120.400 -0.677 0.000 2.002 204 K HA -0.333 3.553 4.320 -0.724 0.000 0.209 204 K C 2.367 178.756 176.600 -0.352 0.000 1.048 204 K CA 3.411 59.204 56.287 -0.822 0.000 0.930 204 K CB -0.286 31.357 32.500 -1.428 0.000 0.714 204 K HN -0.580 7.192 8.250 -0.796 0.000 0.438 205 T N 1.603 116.030 114.554 -0.213 0.000 2.746 205 T HA -0.241 4.275 4.350 -0.003 -0.168 0.267 205 T C 2.264 177.023 174.700 0.098 0.000 1.039 205 T CA 4.708 66.822 62.100 0.023 0.000 1.142 205 T CB -0.307 68.686 68.868 0.207 0.000 0.866 205 T HN -0.548 7.533 8.240 -0.266 0.000 0.444 206 I N 0.764 121.382 120.570 0.080 0.000 2.163 206 I HA -0.536 3.652 4.170 0.030 0.000 0.243 206 I C 1.742 177.832 176.117 -0.045 0.000 1.085 206 I CA 4.509 65.832 61.300 0.039 0.000 1.347 206 I CB -0.531 37.509 38.000 0.067 0.000 1.044 206 I HN 0.181 8.428 8.210 0.061 0.000 0.408 207 G N -1.852 106.900 108.800 -0.080 0.000 2.418 207 G HA2 -0.382 3.511 3.960 -0.112 0.000 0.217 207 G HA3 -0.382 3.514 3.960 -0.108 0.000 0.217 207 G C 0.980 175.801 174.900 -0.132 0.000 1.158 207 G CA 2.009 47.044 45.100 -0.109 0.000 0.771 207 G HN -0.583 7.652 8.290 -0.091 0.000 0.545 208 E N 1.555 121.675 120.200 -0.133 0.000 2.085 208 E HA -0.504 3.743 4.350 -0.172 0.000 0.194 208 E C 2.215 178.649 176.600 -0.277 0.000 0.994 208 E CA 3.601 59.890 56.400 -0.186 0.000 0.801 208 E CB -0.064 29.520 29.700 -0.194 0.000 0.743 208 E HN -0.574 7.713 8.360 -0.121 0.000 0.453 209 H N -0.924 117.972 119.070 -0.291 0.000 2.428 209 H HA -0.156 4.161 4.556 -0.398 0.000 0.296 209 H C 2.553 177.514 175.328 -0.612 0.000 1.062 209 H CA 4.059 59.823 56.048 -0.473 0.000 1.350 209 H CB 0.378 29.817 29.762 -0.538 0.000 1.403 209 H HN -0.558 7.698 8.280 -0.040 0.000 0.533 210 I N 0.032 120.407 120.570 -0.325 0.000 2.127 210 I HA -0.523 3.405 4.170 -0.403 0.000 0.241 210 I C 1.953 177.883 176.117 -0.311 0.000 1.075 210 I CA 4.518 65.621 61.300 -0.327 0.000 1.334 210 I CB -0.090 37.779 38.000 -0.218 0.000 1.040 210 I HN -0.028 8.044 8.210 -0.231 0.000 0.405 211 V N -0.255 119.517 119.914 -0.235 0.000 2.343 211 V HA -0.476 3.530 4.120 -0.190 0.000 0.247 211 V C 1.372 177.373 176.094 -0.154 0.000 1.051 211 V CA 3.972 66.163 62.300 -0.183 0.000 1.036 211 V CB -0.335 31.410 31.823 -0.129 0.000 0.654 211 V HN -0.446 7.615 8.190 -0.216 0.000 0.451 212 A N -2.880 119.844 122.820 -0.160 0.000 1.929 212 A HA -0.174 4.148 4.320 0.003 0.000 0.216 212 A C 0.623 178.275 177.584 0.113 0.000 1.176 212 A CA 2.511 54.526 52.037 -0.036 0.000 0.628 212 A CB 0.351 19.308 19.000 -0.071 0.000 0.816 212 A HN -0.353 7.664 8.150 -0.222 0.000 0.444 213 H N -8.415 110.626 119.070 -0.050 0.000 2.950 213 H HA 0.170 4.853 4.556 0.212 0.000 0.202 213 H C 1.710 177.020 175.328 -0.030 0.000 0.893 213 H CA 0.662 56.744 56.048 0.057 0.000 0.931 213 H CB 1.199 31.023 29.762 0.103 0.000 1.158 213 H HN -0.419 7.665 8.280 -0.326 0.000 0.545 214 I N 2.399 122.615 120.570 -0.590 0.000 2.286 214 I HA -0.333 3.909 4.170 -0.138 -0.154 0.248 214 I C 1.974 177.969 176.117 -0.203 0.000 1.115 214 I CA 3.592 64.677 61.300 -0.359 0.000 1.392 214 I CB -0.019 37.648 38.000 -0.555 0.000 1.065 214 I HN 0.017 7.674 8.210 -0.923 0.000 0.418 215 Q N -1.585 118.017 119.800 -0.329 0.000 2.234 215 Q HA -0.339 3.858 4.340 -0.238 0.000 0.206 215 Q C 0.770 176.593 176.000 -0.295 0.000 0.980 215 Q CA 2.603 58.201 55.803 -0.342 0.000 0.869 215 Q CB -0.315 28.152 28.738 -0.453 0.000 0.912 215 Q HN -0.420 7.603 8.270 -0.391 0.013 0.436 216 H N -3.561 115.506 119.070 -0.005 0.000 2.553 216 H HA 0.196 4.754 4.556 0.004 0.000 0.265 216 H C 0.483 175.840 175.328 0.048 0.000 0.964 216 H CA 0.801 56.861 56.048 0.020 0.000 1.156 216 H CB 0.477 30.260 29.762 0.036 0.000 1.411 216 H HN -0.430 7.533 8.280 -0.281 0.149 0.558 217 E N -2.133 118.160 120.200 0.155 0.000 2.372 217 E HA 0.090 4.539 4.350 0.166 0.000 0.201 217 E C -0.110 176.571 176.600 0.134 0.000 0.938 217 E CA 0.712 57.219 56.400 0.178 0.000 0.944 217 E CB 2.172 32.050 29.700 0.298 0.000 0.937 217 E HN -0.399 7.842 8.360 0.100 0.179 0.495 218 V N -5.540 114.429 119.914 0.091 0.000 3.078 218 V HA 0.237 4.403 4.120 0.075 0.000 0.311 218 V C -1.772 174.302 176.094 -0.033 0.000 1.138 218 V CA -2.444 59.898 62.300 0.070 0.000 1.007 218 V CB 2.593 34.502 31.823 0.144 0.000 1.045 218 V HN -0.804 7.423 8.190 0.062 0.000 0.432 219 D N -0.451 119.904 120.400 -0.075 0.000 2.240 219 D HA 0.093 4.541 4.640 -0.321 0.000 0.206 219 D C -0.387 175.503 176.300 -0.683 0.000 0.963 219 D CA 3.173 56.977 54.000 -0.328 0.000 0.863 219 D CB 2.068 42.715 40.800 -0.255 0.000 0.973 219 D HN 0.040 8.409 8.370 -0.002 0.000 0.501 220 F N -3.992 115.934 119.950 -0.039 0.000 2.613 220 F HA 0.473 5.090 4.527 -0.087 -0.143 0.310 220 F C -2.381 173.410 175.800 -0.016 0.000 1.085 220 F CA -0.771 57.185 58.000 -0.072 0.000 0.945 220 F CB 4.534 43.456 39.000 -0.130 0.000 1.298 220 F HN -0.899 7.434 8.300 0.054 0.000 0.455 221 L N -0.481 120.808 121.223 0.109 0.000 2.436 221 L HA 0.632 5.281 4.340 0.232 -0.170 0.268 221 L C -2.522 174.309 176.870 -0.065 0.000 0.974 221 L CA -1.008 53.893 54.840 0.103 0.000 0.826 221 L CB 4.377 46.458 42.059 0.037 0.000 1.291 221 L HN 0.547 8.807 8.230 0.050 0.000 0.406 222 F N 4.634 124.694 119.950 0.183 0.000 2.458 222 F HA 0.498 5.164 4.527 0.007 -0.135 0.330 222 F C -0.901 174.842 175.800 -0.096 0.000 1.082 222 F CA -1.442 56.593 58.000 0.059 0.000 0.995 222 F CB 3.822 42.921 39.000 0.165 0.000 1.170 222 F HN 0.150 8.715 8.300 0.442 0.000 0.478 223 C N 2.789 121.986 119.300 -0.173 0.000 2.322 223 C HA 0.653 5.023 4.460 -0.150 0.000 0.324 223 C C -1.284 173.523 174.990 -0.306 0.000 1.249 223 C CA -1.401 57.396 59.018 -0.367 0.000 1.453 223 C CB 0.928 28.129 27.740 -0.898 0.000 2.145 223 C HN 0.635 8.718 8.230 -0.245 0.000 0.466 224 M N 3.505 123.027 119.600 -0.131 0.000 2.530 224 M HA 0.624 5.231 4.480 -0.126 -0.203 0.307 224 M C -1.276 174.913 176.300 -0.186 0.000 1.161 224 M CA -1.223 54.001 55.300 -0.127 0.000 0.903 224 M CB 4.863 37.440 32.600 -0.038 0.000 1.711 224 M HN 0.089 8.329 8.290 -0.083 0.000 0.451 225 D N 2.132 122.415 120.400 -0.195 0.000 2.400 225 D HA -0.039 4.494 4.640 -0.179 0.000 0.238 225 D C -0.211 175.863 176.300 -0.376 0.000 1.157 225 D CA 1.110 54.976 54.000 -0.223 0.000 0.889 225 D CB 0.774 41.447 40.800 -0.212 0.000 1.199 225 D HN -0.038 8.225 8.370 -0.178 0.000 0.436 226 V N 1.346 121.062 119.914 -0.329 0.000 3.052 226 V HA -0.053 3.507 4.120 -0.933 0.000 0.254 226 V C -0.573 175.425 176.094 -0.161 0.000 1.100 226 V CA 1.405 63.457 62.300 -0.413 0.000 1.112 226 V CB 0.614 32.341 31.823 -0.160 0.000 0.738 226 V HN 0.413 8.484 8.190 -0.198 0.000 0.469 227 D N -1.924 118.324 120.400 -0.253 0.000 3.032 227 D HA -0.055 4.019 4.640 -0.943 0.000 0.241 227 D C -1.330 174.803 176.300 -0.280 0.000 1.196 227 D CA -0.658 52.987 54.000 -0.590 0.000 0.927 227 D CB -2.798 37.561 40.800 -0.734 0.000 1.129 227 D HN 0.269 8.514 8.370 -0.209 0.000 0.458 228 Q N -5.623 114.148 119.800 -0.049 0.000 2.633 228 Q HA 0.574 5.048 4.340 0.064 -0.096 0.289 228 Q C -2.228 173.855 176.000 0.138 0.000 0.940 228 Q CA -1.096 54.736 55.803 0.049 0.000 0.785 228 Q CB 3.987 32.713 28.738 -0.020 0.000 1.467 228 Q HN -0.415 7.787 8.270 0.031 0.086 0.401 229 V N -1.383 118.575 119.914 0.074 0.000 2.686 229 V HA 0.321 4.488 4.120 0.078 0.000 0.306 229 V C -1.364 174.740 176.094 0.016 0.000 1.065 229 V CA -2.018 60.329 62.300 0.078 0.000 0.894 229 V CB 3.140 35.052 31.823 0.149 0.000 1.004 229 V HN 0.226 8.459 8.190 0.071 0.000 0.424 230 F N 6.892 126.821 119.950 -0.035 0.000 2.529 230 F HA -0.053 4.607 4.527 0.004 -0.131 0.365 230 F C 0.103 175.895 175.800 -0.012 0.000 1.102 230 F CA 2.065 60.060 58.000 -0.010 0.000 1.271 230 F CB 0.256 39.261 39.000 0.008 0.000 1.120 230 F HN 0.085 8.514 8.300 0.215 0.000 0.579 231 Q N 1.666 121.473 119.800 0.013 0.000 2.322 231 Q HA 0.166 4.501 4.340 -0.007 0.000 0.250 231 Q C -0.819 174.913 176.000 -0.446 0.000 0.853 231 Q CA 0.069 55.810 55.803 -0.103 0.000 0.951 231 Q CB 2.923 31.693 28.738 0.054 0.000 1.114 231 Q HN 0.416 8.589 8.270 0.039 0.121 0.523 232 D N -1.834 118.219 120.400 -0.579 0.000 2.779 232 D HA 0.132 4.392 4.640 -0.632 0.000 0.331 232 D C -1.969 174.243 176.300 -0.146 0.000 1.331 232 D CA -0.956 52.779 54.000 -0.441 0.000 0.866 232 D CB 2.348 43.073 40.800 -0.125 0.000 1.409 232 D HN -0.792 7.362 8.370 -0.359 0.000 0.486 233 K N -1.088 119.363 120.400 0.085 0.000 2.472 233 K HA -0.004 4.640 4.320 0.285 -0.153 0.280 233 K C -0.539 176.192 176.600 0.217 0.000 1.028 233 K CA 0.003 56.411 56.287 0.202 0.000 1.045 233 K CB -0.474 32.130 32.500 0.173 0.000 0.902 233 K HN 0.067 8.364 8.250 0.079 0.000 0.478 234 F N 7.645 127.682 119.950 0.145 0.000 2.451 234 F HA 0.187 4.861 4.527 0.244 0.000 0.367 234 F C -1.866 173.930 175.800 -0.007 0.000 1.100 234 F CA -1.556 56.563 58.000 0.198 0.000 1.171 234 F CB 1.727 41.000 39.000 0.456 0.000 1.405 234 F HN 0.166 8.699 8.300 0.387 0.000 0.482 235 G N 2.936 111.751 108.800 0.025 0.000 2.971 235 G HA2 0.355 4.322 3.960 -0.057 0.000 0.235 235 G HA3 0.355 4.263 3.960 -0.087 0.000 0.235 235 G C -0.496 174.273 174.900 -0.219 0.000 1.351 235 G CA -1.477 43.572 45.100 -0.085 0.000 1.039 235 G HN -0.435 8.129 8.290 -0.057 -0.308 0.563 236 V N -2.848 116.925 119.914 -0.234 0.000 3.026 236 V HA -0.186 3.651 4.120 -0.472 0.000 0.265 236 V C 1.657 177.528 176.094 -0.370 0.000 1.121 236 V CA 1.763 63.846 62.300 -0.361 0.000 1.142 236 V CB 0.017 31.649 31.823 -0.318 0.000 0.730 236 V HN 0.405 8.506 8.190 -0.149 0.000 0.503 237 E N -0.272 119.708 120.200 -0.367 0.000 2.333 237 E HA -0.246 3.740 4.350 -0.605 0.000 0.198 237 E C 1.012 177.307 176.600 -0.510 0.000 1.007 237 E CA 2.880 58.986 56.400 -0.489 0.000 0.845 237 E CB -1.524 27.869 29.700 -0.511 0.000 0.766 237 E HN 0.496 8.621 8.360 -0.314 0.047 0.507 238 T N -3.615 110.667 114.554 -0.454 0.000 3.107 238 T HA -0.039 4.054 4.350 -0.428 0.000 0.249 238 T C 0.343 174.957 174.700 -0.145 0.000 1.096 238 T CA 0.343 62.228 62.100 -0.358 0.000 1.012 238 T CB 0.093 68.706 68.868 -0.424 0.000 0.977 238 T HN -0.472 7.457 8.240 -0.421 0.058 0.527 239 L N 1.300 122.304 121.223 -0.364 0.000 2.436 239 L HA 0.099 4.175 4.340 -0.440 0.000 0.265 239 L C -0.474 176.117 176.870 -0.464 0.000 1.168 239 L CA 0.579 55.064 54.840 -0.591 0.000 0.815 239 L CB 0.711 42.023 42.059 -1.246 0.000 1.109 239 L HN -0.721 7.177 8.230 -0.456 0.059 0.462 240 G N -1.117 107.475 108.800 -0.346 0.000 2.349 240 G HA2 0.034 3.976 3.960 -0.030 0.000 0.294 240 G HA3 0.034 3.999 3.960 0.009 0.000 0.294 240 G C -0.377 174.639 174.900 0.194 0.000 1.380 240 G CA 0.244 45.327 45.100 -0.028 0.000 0.811 240 G HN -0.518 7.539 8.290 -0.388 0.000 0.519 241 E N -0.158 120.159 120.200 0.195 0.000 2.051 241 E HA -0.177 4.300 4.350 0.211 0.000 0.192 241 E C -0.363 176.319 176.600 0.138 0.000 0.991 241 E CA 2.954 59.461 56.400 0.179 0.000 0.799 241 E CB 1.052 30.837 29.700 0.142 0.000 0.748 241 E HN 0.023 8.480 8.360 0.162 0.000 0.449 242 S N -4.673 111.101 115.700 0.123 0.000 2.677 242 S HA 0.541 5.266 4.470 0.152 -0.164 0.283 242 S C -1.778 172.860 174.600 0.064 0.000 1.159 242 S CA -1.036 57.253 58.200 0.148 0.000 1.001 242 S CB 2.724 66.072 63.200 0.247 0.000 1.032 242 S HN -0.586 7.791 8.310 0.112 0.000 0.487 243 V N 3.721 123.668 119.914 0.055 0.000 2.487 243 V HA 0.749 5.055 4.120 -0.059 -0.222 0.298 243 V C -1.440 174.654 176.094 0.001 0.000 1.028 243 V CA -1.844 60.455 62.300 -0.002 0.000 0.860 243 V CB 2.671 34.516 31.823 0.036 0.000 0.991 243 V HN 0.475 8.738 8.190 0.122 0.000 0.427 244 A N 6.497 129.176 122.820 -0.234 0.000 2.354 244 A HA 0.520 4.794 4.320 -0.076 0.000 0.321 244 A C -2.460 175.120 177.584 -0.007 0.000 1.125 244 A CA -1.834 50.015 52.037 -0.314 0.000 0.799 244 A CB 3.758 22.041 19.000 -1.196 0.000 1.293 244 A HN 0.368 8.366 8.150 -0.253 0.000 0.452 245 Q N 0.941 120.848 119.800 0.178 0.000 2.322 245 Q HA 0.318 4.738 4.340 0.134 0.000 0.265 245 Q C -0.888 175.294 176.000 0.304 0.000 0.985 245 Q CA -2.154 53.783 55.803 0.224 0.000 0.849 245 Q CB 2.189 31.096 28.738 0.282 0.000 1.274 245 Q HN 0.393 8.801 8.270 0.230 0.000 0.449 246 L N 7.226 128.563 121.223 0.190 0.000 2.410 246 L HA 0.006 4.479 4.340 0.221 0.000 0.273 246 L C -0.662 176.396 176.870 0.312 0.000 1.144 246 L CA 0.261 55.225 54.840 0.208 0.000 0.863 246 L CB -0.093 42.027 42.059 0.101 0.000 1.140 246 L HN 0.038 8.322 8.230 0.090 0.000 0.463 247 Q N 3.595 123.616 119.800 0.369 0.000 2.289 247 Q HA -0.167 4.404 4.340 0.384 0.000 0.273 247 Q C 1.227 177.491 176.000 0.439 0.000 1.029 247 Q CA 0.569 56.617 55.803 0.409 0.000 0.896 247 Q CB 1.417 30.425 28.738 0.451 0.000 1.182 247 Q HN -0.456 8.012 8.270 0.331 0.000 0.385 248 A N 8.152 131.185 122.820 0.353 0.000 1.940 248 A HA -0.182 4.303 4.320 0.276 0.000 0.219 248 A C 1.433 179.034 177.584 0.028 0.000 1.176 248 A CA 2.851 54.956 52.037 0.113 0.000 0.631 248 A CB -0.288 18.430 19.000 -0.470 0.000 0.814 248 A HN 0.893 9.295 8.150 0.421 0.000 0.446 249 W N -3.934 117.310 121.300 -0.092 0.000 2.800 249 W HA -0.147 4.288 4.660 -0.375 0.000 0.249 249 W C 0.692 176.900 176.519 -0.518 0.000 1.294 249 W CA 1.976 59.073 57.345 -0.414 0.000 1.402 249 W CB 0.211 29.285 29.460 -0.644 0.000 1.126 249 W HN -0.116 8.578 8.180 0.368 -0.292 0.652 250 W N -3.438 118.045 121.300 0.305 0.000 2.534 250 W HA 0.165 4.953 4.660 0.213 0.000 0.339 250 W C 1.309 178.001 176.519 0.288 0.000 0.961 250 W CA 0.064 57.548 57.345 0.231 0.000 1.545 250 W CB 0.486 29.990 29.460 0.073 0.000 1.104 250 W HN -0.371 8.030 8.180 0.473 0.063 0.538 251 Y N -0.369 120.166 120.300 0.392 0.000 2.403 251 Y HA -0.224 4.588 4.550 0.437 0.000 0.291 251 Y C 0.398 176.549 175.900 0.417 0.000 1.143 251 Y CA 2.119 60.463 58.100 0.407 0.000 1.257 251 Y CB -0.631 38.044 38.460 0.359 0.000 0.984 251 Y HN -0.370 8.293 8.280 0.639 0.000 0.550 252 K N -2.086 118.160 120.400 -0.256 0.000 2.374 252 K HA 0.061 4.352 4.320 -0.048 0.000 0.196 252 K C -0.205 176.435 176.600 0.067 0.000 1.023 252 K CA -0.639 55.551 56.287 -0.161 0.000 1.103 252 K CB -0.233 32.045 32.500 -0.370 0.000 0.848 252 K HN -0.147 7.835 8.250 -0.395 0.031 0.528 253 A N 1.050 124.020 122.820 0.249 0.000 2.287 253 A HA -0.012 4.403 4.320 0.159 0.000 0.273 253 A C -1.218 176.454 177.584 0.146 0.000 1.091 253 A CA -0.169 52.037 52.037 0.281 0.000 0.817 253 A CB 0.913 20.258 19.000 0.575 0.000 1.069 253 A HN -0.639 7.543 8.150 0.345 0.175 0.492 254 D N 0.303 120.674 120.400 -0.047 0.000 2.302 254 D HA 0.241 4.758 4.640 -0.205 0.000 0.248 254 D C 0.171 176.017 176.300 -0.757 0.000 1.094 254 D CA -1.535 52.316 54.000 -0.249 0.000 0.897 254 D CB 0.540 41.258 40.800 -0.137 0.000 1.200 254 D HN 0.271 8.645 8.370 0.006 0.000 0.429 255 P HA -0.244 2.267 4.420 -3.182 0.000 0.216 255 P C 1.711 178.556 177.300 -0.758 0.000 1.150 255 P CA 2.102 64.356 63.100 -1.410 0.000 0.843 255 P CB 0.255 31.670 31.700 -0.475 0.000 0.787 256 N N -3.574 114.946 118.700 -0.299 0.000 2.573 256 N HA -0.097 4.738 4.740 0.158 0.000 0.187 256 N C 0.496 176.025 175.510 0.032 0.000 1.107 256 N CA 0.836 53.898 53.050 0.020 0.000 0.918 256 N CB -0.813 37.737 38.487 0.104 0.000 0.966 256 N HN 0.412 nan 8.380 nan 0.000 0.448 257 D N -1.811 118.504 120.400 -0.141 0.000 2.354 257 D HA 0.027 4.710 4.640 0.070 0.000 0.209 257 D C -0.404 175.818 176.300 -0.130 0.000 1.015 257 D CA 0.411 54.411 54.000 0.001 0.000 0.867 257 D CB 0.999 41.897 40.800 0.162 0.000 0.933 257 D HN -0.398 7.636 8.370 -0.294 0.159 0.520 258 F N 0.388 120.080 119.950 -0.429 0.000 2.506 258 F HA -0.001 3.750 4.527 -1.294 0.000 0.351 258 F C 1.156 176.425 175.800 -0.884 0.000 1.136 258 F CA -0.915 56.518 58.000 -0.945 0.000 1.298 258 F CB 0.772 39.113 39.000 -1.099 0.000 1.145 258 F HN -0.583 7.308 8.300 -0.480 0.121 0.593 259 T N 0.100 114.066 114.554 -0.979 0.000 3.624 259 T HA -0.086 4.118 4.350 -0.242 0.000 0.231 259 T C -0.874 173.804 174.700 -0.036 0.000 0.865 259 T CA -0.745 61.077 62.100 -0.463 0.000 0.926 259 T CB -2.121 66.480 68.868 -0.444 0.000 1.189 259 T HN 0.134 7.403 8.240 -1.618 0.000 0.640 260 Y N 1.093 121.415 120.300 0.036 0.000 2.459 260 Y HA -0.376 4.307 4.550 0.221 0.000 0.349 260 Y C -0.259 175.663 175.900 0.037 0.000 1.266 260 Y CA -0.149 58.015 58.100 0.106 0.000 1.483 260 Y CB 0.541 39.008 38.460 0.012 0.000 1.362 260 Y HN -0.793 7.299 8.280 -0.149 0.099 0.628 261 E N -0.045 120.268 120.200 0.188 0.000 2.366 261 E HA -0.178 4.217 4.350 0.075 0.000 0.266 261 E C 0.248 176.913 176.600 0.107 0.000 1.015 261 E CA 0.787 57.237 56.400 0.084 0.000 0.906 261 E CB 0.015 29.713 29.700 -0.004 0.000 0.979 261 E HN 0.412 8.882 8.360 0.185 0.000 0.443 262 R N 4.323 124.891 120.500 0.114 0.000 2.472 262 R HA 0.257 4.717 4.340 0.200 0.000 0.279 262 R C -0.219 176.219 176.300 0.230 0.000 0.953 262 R CA -1.471 54.732 56.100 0.171 0.000 1.088 262 R CB -0.034 30.292 30.300 0.043 0.000 1.197 262 R HN 0.293 8.614 8.270 0.086 0.000 0.536 263 R N 1.124 121.676 120.500 0.086 0.000 2.221 263 R HA 0.173 4.435 4.340 -0.129 0.000 0.327 263 R C 0.461 176.536 176.300 -0.374 0.000 1.033 263 R CA -0.637 55.397 56.100 -0.110 0.000 0.887 263 R CB 0.569 30.826 30.300 -0.072 0.000 1.057 263 R HN -0.298 8.312 8.270 0.091 -0.285 0.455 264 K N 4.123 124.059 120.400 -0.773 0.000 2.360 264 K HA -0.303 2.926 4.320 -1.819 0.000 0.201 264 K C 0.126 176.485 176.600 -0.402 0.000 1.046 264 K CA 2.623 58.273 56.287 -1.062 0.000 0.945 264 K CB -0.201 31.780 32.500 -0.865 0.000 0.750 264 K HN 0.528 8.410 8.250 -0.613 0.000 0.464 265 E N -2.279 117.774 120.200 -0.247 0.000 2.418 265 E HA -0.028 4.247 4.350 -0.125 0.000 0.197 265 E C -0.536 176.013 176.600 -0.086 0.000 1.026 265 E CA 1.174 57.493 56.400 -0.135 0.000 0.862 265 E CB -0.494 29.144 29.700 -0.103 0.000 0.799 265 E HN -0.004 8.156 8.360 -0.252 0.050 0.518 266 S N -2.394 113.261 115.700 -0.075 0.000 2.554 266 S HA 0.119 4.726 4.470 -0.019 -0.149 0.278 266 S C 0.729 175.335 174.600 0.010 0.000 1.242 266 S CA -1.984 56.200 58.200 -0.027 0.000 1.051 266 S CB 1.242 64.418 63.200 -0.040 0.000 0.986 266 S HN -0.790 7.402 8.310 -0.106 0.054 0.502 267 A N 7.731 130.574 122.820 0.039 0.000 2.070 267 A HA -0.250 4.097 4.320 0.045 0.000 0.220 267 A C 0.696 178.293 177.584 0.023 0.000 1.159 267 A CA 2.645 54.719 52.037 0.061 0.000 0.656 267 A CB -0.275 18.794 19.000 0.115 0.000 0.800 267 A HN 0.880 9.454 8.150 0.057 -0.389 0.453 268 A N -3.613 119.138 122.820 -0.114 0.000 2.251 268 A HA -0.073 4.126 4.320 -0.201 0.000 0.209 268 A C -1.034 176.487 177.584 -0.104 0.000 1.187 268 A CA -0.632 51.255 52.037 -0.250 0.000 0.823 268 A CB -0.217 18.391 19.000 -0.653 0.000 0.846 268 A HN -0.685 7.337 8.150 -0.127 0.052 0.486 269 Y N 0.997 121.206 120.300 -0.150 0.000 2.805 269 Y HA -0.293 4.382 4.550 -0.126 -0.201 0.331 269 Y C -1.416 174.390 175.900 -0.157 0.000 1.241 269 Y CA 0.801 58.823 58.100 -0.130 0.000 1.546 269 Y CB -0.116 38.289 38.460 -0.092 0.000 1.248 269 Y HN -0.884 7.397 8.280 0.112 0.066 0.559 270 I N 8.804 129.004 120.570 -0.616 0.000 2.410 270 I HA 0.394 4.122 4.170 -0.736 0.000 0.286 270 I C -2.181 173.387 176.117 -0.914 0.000 1.009 270 I CA -3.180 57.674 61.300 -0.743 0.000 1.111 270 I CB 2.434 40.014 38.000 -0.700 0.000 1.262 270 I HN 0.332 8.306 8.210 -0.394 0.000 0.443 271 P HA 0.100 4.172 4.420 -0.580 0.000 0.272 271 P C -0.357 176.780 177.300 -0.271 0.000 1.223 271 P CA -1.038 61.723 63.100 -0.565 0.000 0.784 271 P CB 0.373 31.920 31.700 -0.255 0.000 0.923 272 F N -0.200 119.748 119.950 -0.004 0.000 2.602 272 F HA -0.536 4.006 4.527 0.024 0.000 0.367 272 F C 1.997 177.796 175.800 -0.003 0.000 1.126 272 F CA 2.056 60.065 58.000 0.016 0.000 1.321 272 F CB -0.062 38.955 39.000 0.028 0.000 1.094 272 F HN 0.084 8.369 8.300 -0.025 0.000 0.594 273 G N 1.577 110.480 108.800 0.171 0.000 2.175 273 G HA2 -0.435 3.574 3.960 0.082 0.000 0.244 273 G HA3 -0.435 3.570 3.960 0.075 0.000 0.244 273 G C -1.059 173.866 174.900 0.042 0.000 0.982 273 G CA -0.242 44.909 45.100 0.085 0.000 0.641 273 G HN 0.416 9.149 8.290 0.205 -0.320 0.527 274 E N 0.375 120.593 120.200 0.029 0.000 2.299 274 E HA 0.263 4.625 4.350 0.019 0.000 0.265 274 E C -1.312 175.349 176.600 0.100 0.000 0.911 274 E CA -1.402 55.006 56.400 0.013 0.000 0.789 274 E CB 2.965 32.624 29.700 -0.069 0.000 1.246 274 E HN -0.661 7.645 8.360 0.030 0.072 0.427 275 G N 0.943 109.811 108.800 0.114 0.000 2.592 275 G HA2 -0.176 4.095 3.960 0.520 0.000 0.685 275 G HA3 -0.176 3.904 3.960 0.201 0.000 0.685 275 G C -1.698 173.343 174.900 0.235 0.000 1.278 275 G CA -0.298 44.967 45.100 0.274 0.000 0.822 275 G HN 0.076 8.403 8.290 0.061 0.000 0.652 276 D N 1.191 121.754 120.400 0.272 0.000 2.566 276 D HA 0.168 4.800 4.640 -0.012 0.000 0.253 276 D C 0.237 176.403 176.300 -0.223 0.000 0.992 276 D CA 0.650 54.697 54.000 0.079 0.000 0.940 276 D CB 1.454 42.484 40.800 0.383 0.000 1.095 276 D HN 0.361 8.932 8.370 0.335 0.000 0.480 277 F N -4.705 115.412 119.950 0.278 0.000 2.664 277 F HA 0.227 4.885 4.527 0.218 0.000 0.317 277 F C -2.080 173.365 175.800 -0.591 0.000 1.108 277 F CA -1.582 56.370 58.000 -0.080 0.000 0.957 277 F CB 3.449 42.233 39.000 -0.361 0.000 1.365 277 F HN -0.740 7.731 8.300 0.285 0.000 0.475 278 Y N 2.447 122.204 120.300 -0.906 0.000 2.417 278 Y HA 0.348 4.694 4.550 -0.584 -0.146 0.336 278 Y C -1.643 174.063 175.900 -0.324 0.000 0.961 278 Y CA -1.125 56.470 58.100 -0.842 0.000 1.215 278 Y CB 0.972 38.638 38.460 -1.323 0.000 1.120 278 Y HN 0.381 8.325 8.280 -0.560 0.000 0.499 279 Y N 7.489 127.595 120.300 -0.324 0.000 2.320 279 Y HA 0.372 5.131 4.550 0.057 -0.175 0.324 279 Y C -0.215 175.628 175.900 -0.094 0.000 1.190 279 Y CA -1.413 56.649 58.100 -0.062 0.000 1.215 279 Y CB 2.128 40.660 38.460 0.119 0.000 1.221 279 Y HN -0.074 8.203 8.280 -0.560 -0.333 0.486 280 H N 2.384 121.570 119.070 0.193 0.000 2.562 280 H HA 0.052 4.832 4.556 0.116 -0.155 0.314 280 H C 0.394 175.837 175.328 0.191 0.000 1.079 280 H CA -1.433 54.715 56.048 0.168 0.000 1.349 280 H CB 2.278 32.174 29.762 0.224 0.000 1.432 280 H HN 0.140 8.699 8.280 0.464 0.000 0.479 281 A N 7.312 130.293 122.820 0.269 0.000 2.235 281 A HA -0.059 4.418 4.320 0.262 0.000 0.208 281 A C -0.375 177.256 177.584 0.079 0.000 1.172 281 A CA 1.216 53.371 52.037 0.197 0.000 0.786 281 A CB -0.132 18.969 19.000 0.167 0.000 0.804 281 A HN 0.254 8.953 8.150 0.356 -0.335 0.479 282 A N -3.604 119.017 122.820 -0.330 0.000 2.066 282 A HA -0.134 4.231 4.320 -0.274 -0.210 0.218 282 A C -0.842 176.632 177.584 -0.184 0.000 1.157 282 A CA 1.249 53.025 52.037 -0.435 0.000 0.670 282 A CB 0.624 19.033 19.000 -0.984 0.000 0.804 282 A HN 0.125 7.824 8.150 -0.624 0.076 0.453 283 I N -3.300 117.265 120.570 -0.007 0.000 2.548 283 I HA 0.455 4.818 4.170 0.062 -0.155 0.287 283 I C -2.282 174.054 176.117 0.366 0.000 1.103 283 I CA -0.866 60.516 61.300 0.137 0.000 1.049 283 I CB 2.308 40.408 38.000 0.167 0.000 1.232 283 I HN -0.975 7.207 8.210 0.013 0.036 0.429 284 F N 1.575 121.693 119.950 0.279 0.000 2.662 284 F HA 0.833 5.667 4.527 0.315 -0.118 0.312 284 F C -2.224 173.699 175.800 0.204 0.000 1.113 284 F CA -2.310 55.858 58.000 0.280 0.000 0.951 284 F CB 3.100 42.246 39.000 0.242 0.000 1.344 284 F HN 0.084 8.328 8.300 -0.094 0.000 0.462 285 G N -2.805 106.074 108.800 0.132 0.000 2.561 285 G HA2 0.675 4.071 3.960 -1.005 0.000 0.310 285 G HA3 0.675 4.515 3.960 -0.272 -0.043 0.310 285 G C -2.451 172.346 174.900 -0.171 0.000 1.292 285 G CA -0.249 44.640 45.100 -0.352 0.000 0.811 285 G HN 0.148 8.622 8.290 0.307 0.000 0.482 286 G N -2.987 105.671 108.800 -0.237 0.000 2.352 286 G HA2 -0.011 4.065 3.960 0.042 0.000 0.283 286 G HA3 -0.011 4.193 3.960 0.038 -0.221 0.283 286 G C -2.311 172.628 174.900 0.065 0.000 1.308 286 G CA 0.572 45.672 45.100 -0.000 0.000 0.892 286 G HN -0.288 7.768 8.290 -0.391 0.000 0.504 287 T N -2.677 111.907 114.554 0.051 0.000 2.856 287 T HA 0.464 4.819 4.350 -0.231 -0.143 0.306 287 T C -0.267 174.378 174.700 -0.092 0.000 1.062 287 T CA -1.746 60.282 62.100 -0.119 0.000 1.083 287 T CB -0.519 68.248 68.868 -0.168 0.000 0.984 287 T HN -0.357 7.934 8.240 0.084 0.000 0.542 288 P HA -0.221 4.140 4.420 -0.099 0.000 0.216 288 P C 1.236 178.478 177.300 -0.097 0.000 1.150 288 P CA 3.197 66.229 63.100 -0.114 0.000 0.843 288 P CB -0.046 31.566 31.700 -0.147 0.000 0.787 289 T N -2.250 112.251 114.554 -0.089 0.000 2.684 289 T HA -0.368 3.940 4.350 -0.070 0.000 0.267 289 T C 1.562 176.242 174.700 -0.033 0.000 1.036 289 T CA 4.470 66.532 62.100 -0.062 0.000 1.148 289 T CB -0.636 68.203 68.868 -0.049 0.000 0.863 289 T HN 0.210 8.376 8.240 -0.102 0.013 0.436 290 Q N -1.662 118.132 119.800 -0.011 0.000 2.083 290 Q HA -0.163 4.201 4.340 0.041 0.000 0.198 290 Q C 1.963 177.962 176.000 -0.000 0.000 0.969 290 Q CA 1.954 57.774 55.803 0.028 0.000 0.838 290 Q CB 0.187 28.969 28.738 0.074 0.000 0.900 290 Q HN -0.735 7.524 8.270 -0.018 0.000 0.436 291 V N 0.079 119.991 119.914 -0.004 0.000 2.490 291 V HA -0.373 3.766 4.120 0.032 0.000 0.250 291 V C 2.135 178.200 176.094 -0.048 0.000 1.061 291 V CA 3.437 65.742 62.300 0.008 0.000 1.064 291 V CB -1.175 30.666 31.823 0.030 0.000 0.670 291 V HN -0.071 8.114 8.190 -0.007 0.000 0.461 292 L N 1.633 122.816 121.223 -0.066 0.000 2.012 292 L HA -0.307 3.981 4.340 -0.086 0.000 0.210 292 L C 2.517 179.330 176.870 -0.096 0.000 1.073 292 L CA 3.178 57.968 54.840 -0.083 0.000 0.748 292 L CB -0.880 41.129 42.059 -0.084 0.000 0.891 292 L HN -0.066 8.127 8.230 -0.062 0.000 0.431 293 N N -1.014 117.637 118.700 -0.081 0.000 2.142 293 N HA -0.250 4.460 4.740 -0.051 0.000 0.186 293 N C 2.039 177.388 175.510 -0.269 0.000 1.023 293 N CA 2.048 55.053 53.050 -0.075 0.000 0.852 293 N CB -0.170 38.341 38.487 0.041 0.000 0.998 293 N HN -0.009 nan 8.380 nan 0.000 0.424 294 I N 0.126 120.390 120.570 -0.510 0.000 2.091 294 I HA -0.555 2.333 4.170 -2.138 0.000 0.239 294 I C 1.586 177.289 176.117 -0.690 0.000 1.061 294 I CA 3.358 63.998 61.300 -1.100 0.000 1.317 294 I CB 0.058 37.540 38.000 -0.864 0.000 1.031 294 I HN 0.031 8.041 8.210 -0.333 0.000 0.401 295 T N -0.949 113.395 114.554 -0.350 0.000 2.857 295 T HA -0.301 3.894 4.350 -0.257 0.000 0.266 295 T C 2.465 177.083 174.700 -0.137 0.000 1.048 295 T CA 3.669 65.643 62.100 -0.210 0.000 1.139 295 T CB -0.448 68.372 68.868 -0.081 0.000 0.874 295 T HN -0.187 7.891 8.240 -0.270 0.000 0.455 296 Q N 1.544 121.275 119.800 -0.116 0.000 2.084 296 Q HA -0.346 3.995 4.340 0.001 0.000 0.202 296 Q C 2.600 178.584 176.000 -0.027 0.000 0.978 296 Q CA 3.482 59.261 55.803 -0.040 0.000 0.844 296 Q CB -0.178 28.537 28.738 -0.037 0.000 0.898 296 Q HN -0.122 8.066 8.270 -0.136 0.000 0.426 297 E N -0.543 119.615 120.200 -0.071 0.000 2.072 297 E HA -0.211 4.142 4.350 0.005 0.000 0.191 297 E C 2.324 178.896 176.600 -0.047 0.000 0.985 297 E CA 2.521 58.913 56.400 -0.013 0.000 0.801 297 E CB -0.387 29.390 29.700 0.127 0.000 0.750 297 E HN -0.340 7.946 8.360 -0.123 0.000 0.452 298 C N -0.204 119.017 119.300 -0.131 0.000 2.429 298 C HA -0.262 4.150 4.460 -0.081 0.000 0.277 298 C C 2.113 177.009 174.990 -0.158 0.000 1.262 298 C CA 4.812 63.749 59.018 -0.135 0.000 1.733 298 C CB -1.579 26.040 27.740 -0.202 0.000 2.010 298 C HN -0.217 7.881 8.230 -0.220 0.000 0.483 299 F N 0.966 120.783 119.950 -0.222 0.000 2.234 299 F HA -0.415 3.963 4.527 -0.248 0.000 0.299 299 F C 1.323 177.012 175.800 -0.185 0.000 1.087 299 F CA 3.184 61.059 58.000 -0.208 0.000 1.340 299 F CB -0.076 38.831 39.000 -0.155 0.000 1.031 299 F HN -0.030 8.302 8.300 0.053 0.000 0.500 300 K N -0.814 119.496 120.400 -0.150 0.000 2.063 300 K HA -0.417 3.773 4.320 -0.216 0.000 0.208 300 K C 2.559 179.018 176.600 -0.234 0.000 1.048 300 K CA 3.871 60.049 56.287 -0.182 0.000 0.928 300 K CB -0.416 32.040 32.500 -0.074 0.000 0.713 300 K HN -0.220 8.003 8.250 -0.045 0.000 0.442 301 G N -1.456 107.213 108.800 -0.218 0.000 2.408 301 G HA2 -0.194 3.739 3.960 -0.044 0.000 0.217 301 G HA3 -0.194 3.726 3.960 -0.067 0.000 0.217 301 G C 1.073 175.751 174.900 -0.371 0.000 1.150 301 G CA 1.778 46.779 45.100 -0.165 0.000 0.776 301 G HN -0.526 7.649 8.290 -0.191 0.000 0.542 302 I N 3.154 123.286 120.570 -0.730 0.000 2.163 302 I HA -0.512 3.290 4.170 -0.613 0.000 0.243 302 I C 1.851 177.685 176.117 -0.472 0.000 1.085 302 I CA 3.974 64.879 61.300 -0.659 0.000 1.347 302 I CB 0.026 37.648 38.000 -0.631 0.000 1.044 302 I HN -0.412 7.358 8.210 -0.733 0.000 0.408 303 L N -2.091 118.777 121.223 -0.591 0.000 2.093 303 L HA -0.439 3.652 4.340 -0.416 0.000 0.208 303 L C 1.907 178.629 176.870 -0.246 0.000 1.085 303 L CA 3.013 57.589 54.840 -0.440 0.000 0.755 303 L CB -0.631 41.130 42.059 -0.497 0.000 0.904 303 L HN -0.228 7.568 8.230 -0.723 0.000 0.435 304 K N -0.594 119.684 120.400 -0.202 0.000 2.057 304 K HA -0.409 3.846 4.320 -0.108 0.000 0.207 304 K C 1.496 178.044 176.600 -0.086 0.000 1.049 304 K CA 3.401 59.618 56.287 -0.116 0.000 0.931 304 K CB -0.236 32.216 32.500 -0.080 0.000 0.714 304 K HN -0.353 7.755 8.250 -0.236 0.000 0.440 305 D N -2.013 118.343 120.400 -0.073 0.000 2.123 305 D HA -0.195 4.428 4.640 -0.028 0.000 0.196 305 D C 2.209 178.470 176.300 -0.065 0.000 0.992 305 D CA 2.744 56.721 54.000 -0.039 0.000 0.833 305 D CB 0.026 40.840 40.800 0.024 0.000 0.954 305 D HN -0.553 7.766 8.370 -0.087 0.000 0.455 306 K N -1.158 119.183 120.400 -0.099 0.000 2.063 306 K HA -0.346 3.925 4.320 -0.081 0.000 0.208 306 K C 2.741 179.295 176.600 -0.077 0.000 1.048 306 K CA 3.123 59.354 56.287 -0.094 0.000 0.928 306 K CB -0.144 32.284 32.500 -0.121 0.000 0.713 306 K HN -0.635 7.537 8.250 -0.129 0.000 0.442 307 K N -0.328 120.024 120.400 -0.080 0.000 2.288 307 K HA -0.140 4.144 4.320 -0.060 0.000 0.201 307 K C 1.419 177.987 176.600 -0.053 0.000 1.048 307 K CA 1.913 58.162 56.287 -0.064 0.000 0.956 307 K CB -0.793 31.668 32.500 -0.065 0.000 0.746 307 K HN -0.290 7.893 8.250 -0.093 0.012 0.461 308 N N -0.186 118.482 118.700 -0.053 0.000 2.251 308 N HA 0.027 4.741 4.740 -0.044 0.000 0.217 308 N C -1.371 174.112 175.510 -0.046 0.000 1.124 308 N CA -0.463 52.559 53.050 -0.047 0.000 0.843 308 N CB 0.057 38.516 38.487 -0.045 0.000 1.024 308 N HN -0.239 nan 8.380 nan 0.000 0.501 309 D N -1.116 119.255 120.400 -0.048 0.000 2.723 309 D HA -0.459 4.151 4.640 -0.049 0.000 0.236 309 D C -1.460 174.812 176.300 -0.046 0.000 1.138 309 D CA 1.356 55.328 54.000 -0.046 0.000 0.676 309 D CB -0.870 39.905 40.800 -0.042 0.000 1.069 309 D HN -0.237 7.927 8.370 -0.051 0.175 0.430 310 I N -2.255 118.287 120.570 -0.046 0.000 2.769 310 I HA 0.242 4.384 4.170 -0.047 0.000 0.298 310 I C -2.577 173.518 176.117 -0.036 0.000 1.128 310 I CA -1.931 59.343 61.300 -0.044 0.000 1.031 310 I CB 3.302 41.276 38.000 -0.044 0.000 1.235 310 I HN -0.528 7.654 8.210 -0.046 0.000 0.423 311 E N 5.651 125.827 120.200 -0.040 0.000 2.241 311 E HA 0.251 4.605 4.350 0.007 0.000 0.263 311 E C -1.163 175.401 176.600 -0.061 0.000 0.882 311 E CA -1.522 54.864 56.400 -0.023 0.000 0.769 311 E CB 2.756 32.440 29.700 -0.026 0.000 1.185 311 E HN 0.183 8.512 8.360 -0.051 0.000 0.415 312 A N 6.796 129.592 122.820 -0.040 0.000 2.483 312 A HA 0.003 4.426 4.320 -0.129 -0.181 0.238 312 A C 1.001 178.402 177.584 -0.305 0.000 1.070 312 A CA 0.439 52.393 52.037 -0.137 0.000 0.770 312 A CB 0.627 19.518 19.000 -0.182 0.000 1.008 312 A HN 0.688 8.868 8.150 0.049 0.000 0.497 313 Q N 3.972 123.597 119.800 -0.293 0.000 2.112 313 Q HA -0.271 3.762 4.340 -0.511 0.000 0.206 313 Q C 0.767 176.219 176.000 -0.914 0.000 0.987 313 Q CA 2.865 58.366 55.803 -0.504 0.000 0.858 313 Q CB 0.591 29.139 28.738 -0.317 0.000 0.905 313 Q HN 0.446 8.885 8.270 -0.188 -0.281 0.420 314 W N -3.245 117.876 121.300 -0.298 0.000 2.570 314 W HA 0.150 4.657 4.660 -0.254 0.000 0.410 314 W C -1.461 174.982 176.519 -0.126 0.000 0.889 314 W CA -0.789 56.443 57.345 -0.189 0.000 2.386 314 W CB -0.275 29.239 29.460 0.091 0.000 1.228 314 W HN -0.493 7.623 8.180 -0.107 0.000 0.692 315 H N -2.114 117.062 119.070 0.177 0.000 1.452 315 H HA -0.589 4.035 4.556 0.114 0.000 0.090 315 H C 1.022 176.499 175.328 0.248 0.000 0.789 315 H CA 2.563 58.704 56.048 0.155 0.000 1.901 315 H CB -1.753 28.067 29.762 0.096 0.000 2.257 315 H HN -0.433 7.313 8.280 -0.582 0.185 0.961 316 D N -0.334 120.267 120.400 0.335 0.000 2.182 316 D HA -0.405 4.379 4.640 0.241 0.000 0.201 316 D C 1.660 178.071 176.300 0.185 0.000 0.986 316 D CA 2.788 56.920 54.000 0.219 0.000 0.847 316 D CB -0.478 40.382 40.800 0.101 0.000 0.942 316 D HN 0.423 9.000 8.370 0.344 0.000 0.467 317 E N -0.497 119.839 120.200 0.226 0.000 2.110 317 E HA -0.342 4.077 4.350 0.116 0.000 0.193 317 E C 1.382 178.065 176.600 0.139 0.000 0.988 317 E CA 2.406 58.915 56.400 0.181 0.000 0.804 317 E CB -0.167 29.692 29.700 0.264 0.000 0.745 317 E HN -0.647 7.865 8.360 0.293 0.024 0.458 318 S N -1.786 114.013 115.700 0.166 0.000 2.356 318 S HA -0.259 4.292 4.470 0.135 0.000 0.223 318 S C 1.610 176.154 174.600 -0.094 0.000 1.032 318 S CA 3.412 61.642 58.200 0.050 0.000 1.005 318 S CB 0.112 63.293 63.200 -0.031 0.000 0.867 318 S HN -0.735 7.705 8.310 0.216 0.000 0.449 319 H N 1.523 120.598 119.070 0.008 0.000 2.357 319 H HA -0.196 4.338 4.556 -0.037 0.000 0.301 319 H C 2.442 177.718 175.328 -0.087 0.000 1.082 319 H CA 3.349 59.371 56.048 -0.043 0.000 1.342 319 H CB 0.143 29.870 29.762 -0.058 0.000 1.389 319 H HN -0.922 7.390 8.280 0.053 0.000 0.511 320 L N 1.320 122.529 121.223 -0.023 0.000 2.046 320 L HA -0.278 3.858 4.340 -0.340 0.000 0.208 320 L C 2.319 179.153 176.870 -0.060 0.000 1.077 320 L CA 3.061 57.783 54.840 -0.197 0.000 0.747 320 L CB -0.525 41.386 42.059 -0.246 0.000 0.896 320 L HN 0.083 8.326 8.230 0.021 0.000 0.432 321 N N -0.447 118.280 118.700 0.045 0.000 2.166 321 N HA -0.222 4.737 4.740 0.367 0.000 0.186 321 N C 2.325 177.842 175.510 0.012 0.000 1.019 321 N CA 2.077 55.209 53.050 0.136 0.000 0.856 321 N CB -0.549 37.982 38.487 0.074 0.000 0.993 321 N HN 0.193 nan 8.380 nan 0.000 0.426 322 K N 0.787 121.137 120.400 -0.084 0.000 2.026 322 K HA -0.283 3.920 4.320 -0.194 0.000 0.208 322 K C 1.465 178.021 176.600 -0.074 0.000 1.048 322 K CA 1.780 57.993 56.287 -0.123 0.000 0.929 322 K CB -0.100 32.331 32.500 -0.115 0.000 0.713 322 K HN -0.433 7.770 8.250 -0.078 0.000 0.439 323 Y N -0.083 120.115 120.300 -0.169 0.000 2.097 323 Y HA -0.392 4.053 4.550 -0.174 0.000 0.282 323 Y C 1.669 177.476 175.900 -0.155 0.000 1.152 323 Y CA 3.535 61.497 58.100 -0.229 0.000 1.136 323 Y CB 0.113 38.322 38.460 -0.417 0.000 0.975 323 Y HN -0.396 7.905 8.280 0.036 0.000 0.498 324 F N -4.908 115.040 119.950 -0.002 0.000 2.502 324 F HA -0.235 4.384 4.527 -0.166 -0.192 0.298 324 F C 1.612 177.355 175.800 -0.095 0.000 1.111 324 F CA 1.608 59.553 58.000 -0.092 0.000 1.445 324 F CB 0.485 39.367 39.000 -0.197 0.000 1.081 324 F HN -0.438 7.914 8.300 0.086 0.000 0.558 325 L N 1.117 122.392 121.223 0.087 0.000 2.056 325 L HA -0.219 4.132 4.340 0.018 0.000 0.207 325 L C 1.099 177.873 176.870 -0.159 0.000 1.078 325 L CA 3.104 57.923 54.840 -0.034 0.000 0.749 325 L CB -0.036 41.961 42.059 -0.102 0.000 0.901 325 L HN -0.459 7.793 8.230 0.081 0.027 0.433 326 L N -2.263 118.829 121.223 -0.219 0.000 2.131 326 L HA -0.140 4.074 4.340 -0.211 0.000 0.206 326 L C 1.103 177.781 176.870 -0.319 0.000 1.087 326 L CA 1.598 56.281 54.840 -0.262 0.000 0.767 326 L CB -0.265 41.628 42.059 -0.276 0.000 0.917 326 L HN -0.670 7.428 8.230 -0.220 0.000 0.441 327 N N 1.200 119.646 118.700 -0.424 0.000 2.776 327 N HA 0.233 4.793 4.740 -0.300 0.000 0.245 327 N C -1.725 173.661 175.510 -0.207 0.000 1.121 327 N CA -0.712 52.107 53.050 -0.385 0.000 0.852 327 N CB 0.245 38.325 38.487 -0.678 0.000 1.142 327 N HN -0.070 nan 8.380 nan 0.000 0.514 328 K N 3.289 123.501 120.400 -0.314 0.000 2.448 328 K HA 0.213 4.462 4.320 -0.419 -0.180 0.278 328 K C -1.341 175.171 176.600 -0.147 0.000 1.009 328 K CA -1.774 54.228 56.287 -0.475 0.000 0.995 328 K CB -0.700 31.014 32.500 -1.311 0.000 0.917 328 K HN 0.211 8.250 8.250 -0.352 0.000 0.481 329 P HA 0.162 4.583 4.420 0.003 0.000 0.271 329 P C 0.575 177.999 177.300 0.207 0.000 1.218 329 P CA -0.540 62.530 63.100 -0.049 0.000 0.780 329 P CB 0.875 32.279 31.700 -0.494 0.000 0.901 330 T N -2.759 111.881 114.554 0.144 0.000 3.113 330 T HA -0.138 4.366 4.350 0.256 0.000 0.256 330 T C -0.147 174.609 174.700 0.093 0.000 1.131 330 T CA 0.944 63.146 62.100 0.169 0.000 1.074 330 T CB 0.427 69.377 68.868 0.137 0.000 0.944 330 T HN 0.020 8.322 8.240 0.103 0.000 0.516 331 K N -0.071 120.345 120.400 0.027 0.000 2.542 331 K HA 0.403 4.812 4.320 -0.060 -0.124 0.259 331 K C -2.834 173.708 176.600 -0.097 0.000 0.932 331 K CA -0.549 55.711 56.287 -0.044 0.000 0.820 331 K CB 3.304 35.774 32.500 -0.050 0.000 1.345 331 K HN -0.779 7.428 8.250 0.013 0.051 0.432 332 I N 3.756 124.245 120.570 -0.135 0.000 2.569 332 I HA 0.653 4.925 4.170 -0.150 -0.192 0.296 332 I C -1.576 174.415 176.117 -0.210 0.000 1.028 332 I CA -1.754 59.449 61.300 -0.161 0.000 1.082 332 I CB 3.958 41.845 38.000 -0.188 0.000 1.264 332 I HN 0.182 8.305 8.210 -0.145 0.000 0.429 333 L N 4.468 125.562 121.223 -0.215 0.000 2.307 333 L HA 0.366 4.452 4.340 -0.423 0.000 0.282 333 L C -0.161 176.530 176.870 -0.299 0.000 1.051 333 L CA -1.319 53.321 54.840 -0.333 0.000 0.804 333 L CB 0.563 42.375 42.059 -0.412 0.000 1.197 333 L HN 0.460 8.603 8.230 -0.144 0.000 0.431 334 S N 2.908 118.327 115.700 -0.468 0.000 2.580 334 S HA 0.164 4.066 4.470 -0.946 0.000 0.266 334 S C 0.189 174.511 174.600 -0.462 0.000 1.354 334 S CA -1.479 56.184 58.200 -0.894 0.000 1.008 334 S CB -0.084 61.955 63.200 -1.935 0.000 0.898 334 S HN -0.077 7.981 8.310 -0.421 0.000 0.555 335 P HA -0.035 4.423 4.420 0.063 0.000 0.223 335 P C 1.222 178.491 177.300 -0.052 0.000 1.144 335 P CA 1.703 64.734 63.100 -0.116 0.000 0.783 335 P CB -0.022 31.633 31.700 -0.076 0.000 0.771 336 E N 0.141 120.166 120.200 -0.291 0.000 2.209 336 E HA -0.329 3.834 4.350 -0.313 0.000 0.196 336 E C 1.997 178.444 176.600 -0.256 0.000 0.993 336 E CA 3.035 59.257 56.400 -0.298 0.000 0.819 336 E CB -0.648 28.842 29.700 -0.350 0.000 0.745 336 E HN -0.335 7.700 8.360 -0.468 0.045 0.477 337 Y N -5.399 114.830 120.300 -0.119 0.000 2.546 337 Y HA -0.076 4.437 4.550 -0.063 0.000 0.287 337 Y C -0.802 175.175 175.900 0.128 0.000 1.158 337 Y CA 2.226 60.290 58.100 -0.059 0.000 1.307 337 Y CB 0.621 38.939 38.460 -0.237 0.000 1.036 337 Y HN -0.639 7.624 8.280 0.036 0.039 0.532 338 C N 0.458 119.929 119.300 0.284 0.000 3.238 338 C HA 0.239 5.003 4.460 0.336 -0.102 0.308 338 C C -1.927 173.360 174.990 0.494 0.000 0.971 338 C CA -0.816 58.438 59.018 0.393 0.000 1.207 338 C CB 0.238 28.231 27.740 0.421 0.000 1.696 338 C HN -0.541 7.660 8.230 0.242 0.174 0.609 339 W N 5.699 127.028 121.300 0.048 0.000 2.496 339 W HA 0.354 4.856 4.660 -0.263 0.000 0.327 339 W C -2.484 173.699 176.519 -0.560 0.000 1.086 339 W CA -0.765 56.411 57.345 -0.281 0.000 1.222 339 W CB 3.406 32.594 29.460 -0.453 0.000 1.304 339 W HN 0.644 9.013 8.180 0.316 0.000 0.547 340 D N 6.362 125.585 120.400 -1.961 0.000 2.412 340 D HA 0.156 4.041 4.640 -1.258 0.000 0.224 340 D C -0.246 175.225 176.300 -1.382 0.000 1.093 340 D CA -2.296 50.652 54.000 -1.753 0.000 0.850 340 D CB 0.734 40.266 40.800 -2.113 0.000 1.046 340 D HN 0.337 7.261 8.370 -2.411 0.000 0.507 341 Y N 6.043 126.026 120.300 -0.528 0.000 2.569 341 Y HA -0.295 4.221 4.550 -0.057 0.000 0.293 341 Y C 1.884 177.688 175.900 -0.160 0.000 1.144 341 Y CA 1.956 59.951 58.100 -0.174 0.000 1.321 341 Y CB -0.302 38.177 38.460 0.033 0.000 0.982 341 Y HN 0.652 8.716 8.280 -0.359 0.000 0.558 342 H N 1.177 120.144 119.070 -0.173 0.000 2.489 342 H HA -0.207 4.346 4.556 -0.005 0.000 0.293 342 H C 0.895 176.101 175.328 -0.203 0.000 1.066 342 H CA 2.940 58.939 56.048 -0.082 0.000 1.305 342 H CB -0.379 29.416 29.762 0.055 0.000 1.386 342 H HN -0.265 8.228 8.280 -0.066 -0.253 0.551 343 I N -3.749 116.454 120.570 -0.612 0.000 2.546 343 I HA -0.324 3.373 4.170 -0.790 0.000 0.255 343 I C 0.409 176.375 176.117 -0.252 0.000 1.163 343 I CA 1.004 61.873 61.300 -0.718 0.000 1.457 343 I CB 0.538 37.857 38.000 -1.135 0.000 1.092 343 I HN -0.436 7.290 8.210 -0.748 0.035 0.434 344 G N -1.124 107.646 108.800 -0.050 0.000 2.428 344 G HA2 -0.276 3.715 3.960 0.051 0.000 0.202 344 G HA3 -0.276 3.744 3.960 0.100 0.000 0.202 344 G C -3.012 172.085 174.900 0.329 0.000 1.247 344 G CA -0.674 44.490 45.100 0.107 0.000 1.020 344 G HN -0.537 7.542 8.290 -0.062 0.174 0.529 345 L N 0.889 122.234 121.223 0.204 0.000 2.490 345 L HA 0.483 4.894 4.340 0.119 0.000 0.256 345 L C -1.956 174.915 176.870 0.001 0.000 1.089 345 L CA -2.611 52.302 54.840 0.122 0.000 0.916 345 L CB 1.384 43.520 42.059 0.129 0.000 1.188 345 L HN -0.046 8.260 8.230 0.126 0.000 0.476 346 P HA 0.302 4.717 4.420 -0.009 0.000 0.279 346 P C 0.203 177.456 177.300 -0.078 0.000 1.276 346 P CA -0.993 62.091 63.100 -0.027 0.000 0.801 346 P CB 1.093 32.811 31.700 0.031 0.000 1.127 347 A N -0.110 122.682 122.820 -0.048 0.000 1.940 347 A HA -0.312 3.970 4.320 -0.062 0.000 0.219 347 A C 1.519 179.056 177.584 -0.078 0.000 1.176 347 A CA 2.544 54.546 52.037 -0.059 0.000 0.631 347 A CB -0.081 18.892 19.000 -0.044 0.000 0.814 347 A HN 0.397 8.530 8.150 -0.028 0.000 0.446 348 D N -4.460 115.903 120.400 -0.061 0.000 2.312 348 D HA -0.092 4.481 4.640 -0.112 0.000 0.211 348 D C -0.500 175.770 176.300 -0.050 0.000 0.964 348 D CA 1.798 55.761 54.000 -0.062 0.000 0.877 348 D CB 0.016 40.841 40.800 0.042 0.000 0.924 348 D HN 0.134 8.455 8.370 -0.032 0.030 0.515 349 I N -1.253 119.195 120.570 -0.203 0.000 2.310 349 I HA 0.027 4.047 4.170 -0.250 0.000 0.287 349 I C -0.650 175.318 176.117 -0.248 0.000 1.073 349 I CA -1.980 59.101 61.300 -0.365 0.000 1.216 349 I CB -2.284 35.146 38.000 -0.950 0.000 1.415 349 I HN -0.681 7.339 8.210 -0.220 0.059 0.480 350 K N 5.388 125.712 120.400 -0.126 0.000 2.242 350 K HA -0.015 4.251 4.320 -0.091 0.000 0.200 350 K C -0.011 176.537 176.600 -0.086 0.000 1.050 350 K CA 0.084 56.320 56.287 -0.085 0.000 0.981 350 K CB 1.099 33.578 32.500 -0.034 0.000 0.795 350 K HN 0.195 8.713 8.250 -0.072 -0.312 0.477 351 L N -1.295 119.864 121.223 -0.108 0.000 2.596 351 L HA 0.203 4.499 4.340 -0.074 0.000 0.265 351 L C -2.420 174.353 176.870 -0.161 0.000 0.962 351 L CA -0.290 54.492 54.840 -0.096 0.000 0.891 351 L CB 1.885 43.911 42.059 -0.055 0.000 1.248 351 L HN -0.873 7.283 8.230 -0.124 0.000 0.410 352 V N 7.305 127.138 119.914 -0.135 0.000 2.508 352 V HA -0.104 4.035 4.120 -0.222 -0.153 0.281 352 V C 0.055 176.079 176.094 -0.118 0.000 1.041 352 V CA 0.475 62.687 62.300 -0.148 0.000 1.016 352 V CB -0.322 31.459 31.823 -0.071 0.000 0.984 352 V HN 0.446 8.586 8.190 -0.084 0.000 0.478 353 K N 7.163 127.455 120.400 -0.180 0.000 2.334 353 K HA 0.138 4.407 4.320 -0.086 0.000 0.195 353 K C -1.190 175.455 176.600 0.075 0.000 1.045 353 K CA 1.208 57.441 56.287 -0.091 0.000 1.004 353 K CB 1.061 33.419 32.500 -0.236 0.000 0.837 353 K HN 0.671 8.772 8.250 -0.249 0.000 0.510 354 M N -1.428 118.206 119.600 0.057 0.000 2.365 354 M HA 0.465 5.121 4.480 -0.001 -0.177 0.287 354 M C -2.717 173.645 176.300 0.103 0.000 1.154 354 M CA -0.498 54.823 55.300 0.035 0.000 0.941 354 M CB 4.579 37.157 32.600 -0.036 0.000 1.704 354 M HN -0.744 7.562 8.290 0.027 0.000 0.479 355 S N 2.875 118.654 115.700 0.131 0.000 2.536 355 S HA 0.883 5.661 4.470 0.157 -0.214 0.298 355 S C -0.503 174.276 174.600 0.299 0.000 1.083 355 S CA -1.914 56.399 58.200 0.188 0.000 0.995 355 S CB 2.904 66.246 63.200 0.236 0.000 1.058 355 S HN 0.488 8.862 8.310 0.106 0.000 0.488 356 W N 1.240 122.544 121.300 0.007 0.000 2.158 356 W HA 0.012 4.683 4.660 0.018 0.000 0.339 356 W C 0.768 177.308 176.519 0.035 0.000 1.294 356 W CA -1.202 56.156 57.345 0.022 0.000 1.231 356 W CB -0.314 29.165 29.460 0.031 0.000 1.143 356 W HN 0.050 8.490 8.180 0.434 0.000 0.571 357 Q N 1.568 121.486 119.800 0.197 0.000 2.340 357 Q HA 0.068 4.516 4.340 0.181 0.000 0.249 357 Q C 0.514 176.600 176.000 0.143 0.000 0.957 357 Q CA -0.388 55.497 55.803 0.136 0.000 0.882 357 Q CB 1.026 29.767 28.738 0.005 0.000 1.235 357 Q HN -0.005 8.328 8.270 0.105 0.000 0.439 358 T N 4.638 119.273 114.554 0.135 0.000 2.934 358 T HA -0.197 4.193 4.350 0.067 0.000 0.306 358 T C 0.211 174.913 174.700 0.005 0.000 1.042 358 T CA 1.110 63.251 62.100 0.069 0.000 1.145 358 T CB 0.771 69.672 68.868 0.055 0.000 0.982 358 T HN 0.094 8.425 8.240 0.151 0.000 0.544 359 K N 4.193 124.522 120.400 -0.119 0.000 2.382 359 K HA -0.100 4.037 4.320 -0.306 0.000 0.275 359 K C 0.192 176.613 176.600 -0.298 0.000 1.009 359 K CA 0.283 56.356 56.287 -0.356 0.000 0.970 359 K CB -0.039 32.002 32.500 -0.766 0.000 0.934 359 K HN 0.241 8.428 8.250 -0.105 0.000 0.479 360 E N 2.122 122.163 120.200 -0.265 0.000 4.017 360 E HA 0.217 4.491 4.350 -0.126 0.000 0.205 360 E C 0.367 176.907 176.600 -0.100 0.000 1.054 360 E CA -0.374 55.942 56.400 -0.140 0.000 1.398 360 E CB 0.193 29.859 29.700 -0.056 0.000 1.164 360 E HN 0.460 8.652 8.360 -0.280 0.000 0.445 361 Y N 1.387 121.616 120.300 -0.119 0.000 2.333 361 Y HA -0.518 3.906 4.550 -0.210 0.000 0.290 361 Y C 2.598 178.421 175.900 -0.128 0.000 1.144 361 Y CA 1.485 59.487 58.100 -0.163 0.000 1.228 361 Y CB -0.187 38.174 38.460 -0.165 0.000 0.985 361 Y HN 0.039 8.146 8.280 -0.289 0.000 0.542 362 N N -0.291 118.445 118.700 0.059 0.000 2.272 362 N HA -0.212 4.552 4.740 0.040 0.000 0.185 362 N C 0.872 176.377 175.510 -0.008 0.000 1.014 362 N CA 1.627 54.692 53.050 0.026 0.000 0.870 362 N CB -0.269 38.230 38.487 0.020 0.000 0.975 362 N HN 0.311 nan 8.380 nan 0.000 0.433 363 V N -2.095 117.783 119.914 -0.060 0.000 2.581 363 V HA -0.041 4.046 4.120 -0.055 0.000 0.240 363 V C 0.735 176.734 176.094 -0.159 0.000 1.054 363 V CA 1.867 64.103 62.300 -0.108 0.000 1.076 363 V CB 1.343 33.068 31.823 -0.163 0.000 0.748 363 V HN -0.464 7.652 8.190 -0.071 0.032 0.474 364 V N -6.333 113.436 119.914 -0.242 0.000 3.235 364 V HA -0.081 3.886 4.120 -0.254 0.000 0.259 364 V C -0.421 175.683 176.094 0.016 0.000 1.133 364 V CA 0.711 62.852 62.300 -0.265 0.000 1.128 364 V CB -0.219 31.201 31.823 -0.672 0.000 0.757 364 V HN -0.655 7.399 8.190 -0.226 0.000 0.469 365 R N 0.143 120.646 120.500 0.004 0.000 2.604 365 R HA 0.195 4.612 4.340 0.127 0.000 0.287 365 R C -0.022 176.315 176.300 0.062 0.000 0.970 365 R CA -0.207 55.910 56.100 0.028 0.000 0.946 365 R CB 1.218 31.368 30.300 -0.251 0.000 1.127 365 R HN -0.810 7.440 8.270 -0.033 0.000 0.473 366 N N 1.210 119.987 118.700 0.129 0.000 2.177 366 N HA 0.214 5.002 4.740 0.080 0.000 0.218 366 N C -0.666 174.921 175.510 0.128 0.000 1.182 366 N CA -0.374 52.741 53.050 0.108 0.000 0.882 366 N CB 0.525 39.067 38.487 0.092 0.000 1.052 366 N HN 0.210 nan 8.380 nan 0.000 0.519 367 N N 0.001 118.826 118.700 0.209 0.000 2.525 367 N HA 0.160 4.976 4.740 0.126 0.000 0.270 367 N C -1.430 174.243 175.510 0.272 0.000 1.321 367 N CA -0.595 52.567 53.050 0.186 0.000 0.797 367 N CB 1.790 40.352 38.487 0.125 0.000 1.529 367 N HN -0.442 nan 8.380 nan 0.000 0.491 368 V N 0.000 120.024 119.914 0.184 0.000 2.409 368 V HA 0.000 4.253 4.120 0.221 0.000 0.244 368 V CA 0.000 62.425 62.300 0.209 0.000 1.235 368 V CB 0.000 31.889 31.823 0.111 0.000 1.184 368 V HN 0.000 8.264 8.190 0.124 0.000 0.556