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 3ow7_1_B DATA FIRST_RESID 89 DATA SEQUENCE TQNLGVKTAT VTRGPLTFAQ SFPANVSYNE YQYAIVQARA AGFIDKVYPL DATA SEQUENCE TVGDKVQKGT PLLDLTIPDW VEAQSEYLLL RETGGTATQT EGILERLRLA DATA SEQUENCE GMPEADIRRL IATQKIQTRF TLKAPIDGVI TAFDLRAGMN IAKDNVVAKI DATA SEQUENCE QGMDPVWVTA AIPESIAWLV KDASQFTLTV PARPDKTLTI RKWTLLPGVD DATA SEQUENCE AATRTLQLRL EVDNADEALK PGMNAWLQLN TASEPMLLIP SQALIDTGSE DATA SEQUENCE QRVITVDADG RFVPKRVAVF QASQGVTALR SGLAEGEKVV SSGLFLI 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 89 T HA 0.000 nan 4.350 nan 0.000 0.228 89 T C 0.000 174.676 174.700 -0.039 0.000 1.109 89 T CA 0.000 62.130 62.100 0.050 0.000 1.349 89 T CB 0.000 68.953 68.868 0.141 0.000 0.612 90 Q N 0.903 120.672 119.800 -0.051 0.000 2.534 90 Q HA 0.213 4.553 4.340 -0.001 0.000 0.252 90 Q C 0.648 176.609 176.000 -0.066 0.000 0.850 90 Q CA -0.354 55.408 55.803 -0.067 0.000 0.974 90 Q CB 0.339 29.050 28.738 -0.044 0.000 1.205 90 Q HN 0.671 nan 8.270 nan 0.000 0.593 91 N N 2.797 121.461 118.700 -0.060 0.000 2.514 91 N HA 0.090 4.830 4.740 -0.001 0.000 0.277 91 N C -0.586 174.879 175.510 -0.075 0.000 1.126 91 N CA 0.017 53.037 53.050 -0.050 0.000 0.978 91 N CB 0.985 39.455 38.487 -0.029 0.000 1.106 91 N HN 0.058 nan 8.380 nan 0.000 0.461 92 L N 0.691 121.892 121.223 -0.037 0.000 2.337 92 L HA 0.538 4.877 4.340 -0.001 0.000 0.269 92 L C 0.345 177.218 176.870 0.005 0.000 1.018 92 L CA -0.784 54.046 54.840 -0.018 0.000 0.876 92 L CB 0.143 42.224 42.059 0.038 0.000 1.236 92 L HN 0.686 nan 8.230 nan 0.000 0.436 93 G N 3.623 112.429 108.800 0.011 0.000 3.288 93 G HA2 0.541 4.501 3.960 -0.001 0.000 0.337 93 G HA3 0.541 4.501 3.960 -0.001 0.000 0.337 93 G C -0.175 174.765 174.900 0.067 0.000 1.142 93 G CA -0.289 44.834 45.100 0.039 0.000 1.304 93 G HN 0.588 nan 8.290 nan 0.000 0.475 94 V N -1.841 118.109 119.914 0.061 0.000 3.087 94 V HA 0.649 4.768 4.120 -0.001 0.000 0.306 94 V C -0.572 175.553 176.094 0.052 0.000 1.187 94 V CA -1.636 60.707 62.300 0.072 0.000 0.999 94 V CB 1.943 33.826 31.823 0.101 0.000 1.049 94 V HN 0.294 nan 8.190 nan 0.000 0.431 95 K N 1.142 121.566 120.400 0.041 0.000 2.087 95 K HA 0.755 5.074 4.320 -0.001 0.000 0.255 95 K C -0.126 176.497 176.600 0.037 0.000 0.988 95 K CA -0.141 56.165 56.287 0.031 0.000 0.915 95 K CB 1.757 34.268 32.500 0.019 0.000 1.043 95 K HN 1.110 nan 8.250 nan 0.000 0.457 96 T N -1.800 112.774 114.554 0.034 0.000 2.863 96 T HA 0.708 5.057 4.350 -0.001 0.000 0.285 96 T C -0.931 173.784 174.700 0.025 0.000 1.009 96 T CA -0.948 61.174 62.100 0.037 0.000 0.989 96 T CB 1.711 70.605 68.868 0.044 0.000 1.004 96 T HN 0.508 nan 8.240 nan 0.000 0.455 97 A N 2.270 125.104 122.820 0.025 0.000 2.330 97 A HA 0.685 5.004 4.320 -0.001 0.000 0.313 97 A C 0.287 177.881 177.584 0.018 0.000 1.124 97 A CA -0.785 51.262 52.037 0.016 0.000 0.774 97 A CB 1.347 20.354 19.000 0.012 0.000 1.198 97 A HN 0.905 nan 8.150 nan 0.000 0.465 98 T N 2.117 116.679 114.554 0.013 0.000 2.851 98 T HA 0.401 4.750 4.350 -0.001 0.000 0.298 98 T C 0.213 174.918 174.700 0.008 0.000 0.977 98 T CA 0.109 62.216 62.100 0.011 0.000 1.126 98 T CB -0.095 68.778 68.868 0.007 0.000 0.916 98 T HN 0.462 nan 8.240 nan 0.000 0.529 99 V N 5.983 125.903 119.914 0.010 0.000 2.775 99 V HA 0.497 4.616 4.120 -0.001 0.000 0.299 99 V C 0.767 176.862 176.094 0.002 0.000 1.062 99 V CA -0.315 61.989 62.300 0.007 0.000 1.063 99 V CB 1.388 33.217 31.823 0.010 0.000 0.994 99 V HN 1.136 nan 8.190 nan 0.000 0.483 100 T N 2.262 116.815 114.554 -0.002 0.000 2.841 100 T HA 0.690 5.039 4.350 -0.001 0.000 0.296 100 T C -0.731 173.962 174.700 -0.012 0.000 1.166 100 T CA -1.040 61.056 62.100 -0.007 0.000 1.007 100 T CB 2.005 70.867 68.868 -0.010 0.000 1.253 100 T HN 0.455 nan 8.240 nan 0.000 0.511 101 R N -0.367 120.124 120.500 -0.015 0.000 2.428 101 R HA 0.834 5.173 4.340 -0.001 0.000 0.294 101 R C 0.180 176.464 176.300 -0.027 0.000 1.000 101 R CA 0.584 56.672 56.100 -0.021 0.000 0.960 101 R CB 0.725 31.014 30.300 -0.019 0.000 1.076 101 R HN 1.323 nan 8.270 nan 0.000 0.475 102 G N 3.659 112.438 108.800 -0.035 0.000 2.337 102 G HA2 0.184 4.143 3.960 -0.001 0.000 0.298 102 G HA3 0.184 4.143 3.960 -0.001 0.000 0.298 102 G C -3.136 171.729 174.900 -0.058 0.000 1.335 102 G CA -0.771 44.303 45.100 -0.044 0.000 0.875 102 G HN 0.518 nan 8.290 nan 0.000 0.579 103 P HA 0.756 nan 4.420 nan 0.000 0.310 103 P C -1.047 176.166 177.300 -0.145 0.000 1.309 103 P CA -0.555 62.479 63.100 -0.109 0.000 0.769 103 P CB 1.688 33.314 31.700 -0.122 0.000 1.327 104 L N -0.587 120.489 121.223 -0.245 0.000 2.309 104 L HA 0.598 4.937 4.340 -0.001 0.000 0.261 104 L C -0.270 176.265 176.870 -0.558 0.000 1.021 104 L CA -0.361 54.278 54.840 -0.335 0.000 0.823 104 L CB 1.545 43.429 42.059 -0.291 0.000 1.366 104 L HN 0.550 nan 8.230 nan 0.000 0.423 105 T N -0.700 113.577 114.554 -0.463 0.000 2.791 105 T HA 0.611 4.961 4.350 -0.001 0.000 0.288 105 T C -0.772 173.757 174.700 -0.285 0.000 0.999 105 T CA -0.349 61.508 62.100 -0.406 0.000 0.952 105 T CB 0.056 68.807 68.868 -0.195 0.000 0.938 105 T HN 0.112 nan 8.240 nan 0.000 0.444 106 F N 2.346 122.276 119.950 -0.033 0.000 2.405 106 F HA 0.692 5.218 4.527 -0.001 0.000 0.355 106 F C 0.753 176.536 175.800 -0.027 0.000 1.121 106 F CA -1.601 56.381 58.000 -0.029 0.000 1.112 106 F CB 0.804 39.789 39.000 -0.024 0.000 1.126 106 F HN 0.880 nan 8.300 nan 0.000 0.481 107 A N 3.519 126.428 122.820 0.148 0.000 2.304 107 A HA 0.712 5.032 4.320 -0.001 0.000 0.301 107 A C -0.589 177.018 177.584 0.038 0.000 1.132 107 A CA -0.414 51.665 52.037 0.070 0.000 0.819 107 A CB 0.980 19.995 19.000 0.026 0.000 1.094 107 A HN 0.790 nan 8.150 nan 0.000 0.492 108 Q N 0.428 120.243 119.800 0.026 0.000 2.327 108 Q HA 0.444 4.783 4.340 -0.001 0.000 0.265 108 Q C -1.291 174.650 176.000 -0.098 0.000 0.993 108 Q CA -0.227 55.530 55.803 -0.078 0.000 0.885 108 Q CB 2.151 30.887 28.738 -0.004 0.000 1.379 108 Q HN 0.743 nan 8.270 nan 0.000 0.408 109 S N 2.212 117.753 115.700 -0.264 0.000 2.541 109 S HA 0.752 5.221 4.470 -0.001 0.000 0.283 109 S C -1.367 173.068 174.600 -0.275 0.000 1.196 109 S CA -0.204 57.897 58.200 -0.166 0.000 1.062 109 S CB 0.439 63.457 63.200 -0.303 0.000 1.009 109 S HN 0.388 nan 8.310 nan 0.000 0.502 110 F N 3.129 123.251 119.950 0.286 0.000 2.578 110 F HA 0.448 4.975 4.527 -0.001 0.000 0.311 110 F C -2.238 173.803 175.800 0.401 0.000 1.094 110 F CA -1.986 56.191 58.000 0.295 0.000 0.923 110 F CB 1.972 41.051 39.000 0.131 0.000 1.230 110 F HN 0.314 nan 8.300 nan 0.000 0.450 111 P HA 0.329 nan 4.420 nan 0.000 0.271 111 P C -1.355 175.904 177.300 -0.067 0.000 1.220 111 P CA 0.033 63.132 63.100 -0.001 0.000 0.768 111 P CB 1.157 32.908 31.700 0.085 0.000 0.848 112 A N 3.488 126.156 122.820 -0.254 0.000 2.422 112 A HA 0.606 4.925 4.320 -0.001 0.000 0.302 112 A C -0.337 177.129 177.584 -0.197 0.000 1.041 112 A CA -0.637 51.297 52.037 -0.172 0.000 0.708 112 A CB 1.087 20.002 19.000 -0.141 0.000 1.257 112 A HN 0.658 nan 8.150 nan 0.000 0.414 113 N N 0.408 119.031 118.700 -0.128 0.000 2.459 113 N HA 0.637 5.377 4.740 -0.001 0.000 0.288 113 N C -0.955 174.500 175.510 -0.091 0.000 1.186 113 N CA -0.652 52.331 53.050 -0.112 0.000 0.917 113 N CB 1.352 39.792 38.487 -0.080 0.000 1.219 113 N HN 0.291 nan 8.380 nan 0.000 0.525 114 V N -0.382 119.474 119.914 -0.097 0.000 2.547 114 V HA 0.739 4.858 4.120 -0.001 0.000 0.299 114 V C 0.080 176.101 176.094 -0.122 0.000 1.040 114 V CA -0.641 61.598 62.300 -0.101 0.000 0.913 114 V CB 0.933 32.678 31.823 -0.129 0.000 0.992 114 V HN 0.884 nan 8.190 nan 0.000 0.449 115 S N 2.104 117.736 115.700 -0.113 0.000 2.607 115 S HA 0.731 5.200 4.470 -0.001 0.000 0.273 115 S C -1.730 172.729 174.600 -0.234 0.000 1.148 115 S CA -0.485 57.642 58.200 -0.121 0.000 0.833 115 S CB 1.524 64.754 63.200 0.050 0.000 1.130 115 S HN 0.518 nan 8.310 nan 0.000 0.470 116 Y N 1.882 122.095 120.300 -0.145 0.000 2.420 116 Y HA 0.404 4.953 4.550 -0.001 0.000 0.334 116 Y C 0.395 175.940 175.900 -0.591 0.000 1.094 116 Y CA -1.085 56.845 58.100 -0.283 0.000 1.126 116 Y CB 1.134 39.492 38.460 -0.171 0.000 1.217 116 Y HN 0.621 nan 8.280 nan 0.000 0.462 117 N N 2.139 120.446 118.700 -0.656 0.000 2.497 117 N HA 0.011 4.750 4.740 -0.001 0.000 0.268 117 N C 0.027 175.221 175.510 -0.527 0.000 1.171 117 N CA -0.113 52.223 53.050 -1.189 0.000 0.948 117 N CB 0.728 38.692 38.487 -0.872 0.000 1.069 117 N HN 0.658 nan 8.380 nan 0.000 0.460 118 E N 0.754 120.692 120.200 -0.437 0.000 2.409 118 E HA -0.131 4.218 4.350 -0.001 0.000 0.198 118 E C 0.572 177.223 176.600 0.085 0.000 1.024 118 E CA 0.934 57.252 56.400 -0.137 0.000 0.861 118 E CB -0.247 29.444 29.700 -0.016 0.000 0.788 118 E HN 0.662 nan 8.360 nan 0.000 0.521 119 Y N -0.346 119.847 120.300 -0.178 0.000 2.365 119 Y HA -0.088 4.462 4.550 -0.001 0.000 0.293 119 Y C 2.210 178.101 175.900 -0.015 0.000 1.119 119 Y CA 0.261 58.340 58.100 -0.035 0.000 1.203 119 Y CB 0.309 38.795 38.460 0.043 0.000 1.026 119 Y HN 0.015 nan 8.280 nan 0.000 0.549 120 Q N -0.328 119.533 119.800 0.101 0.000 2.515 120 Q HA -0.101 4.238 4.340 -0.001 0.000 0.212 120 Q C -0.498 175.552 176.000 0.084 0.000 0.970 120 Q CA 0.186 56.023 55.803 0.056 0.000 0.941 120 Q CB -0.375 28.359 28.738 -0.008 0.000 0.998 120 Q HN 0.303 nan 8.270 nan 0.000 0.518 121 Y N 0.668 120.927 120.300 -0.069 0.000 2.754 121 Y HA 0.218 4.768 4.550 -0.001 0.000 0.349 121 Y C -0.408 175.449 175.900 -0.071 0.000 1.179 121 Y CA -0.546 57.505 58.100 -0.080 0.000 1.538 121 Y CB -0.223 38.196 38.460 -0.069 0.000 1.200 121 Y HN 0.069 nan 8.280 nan 0.000 0.522 122 A N 8.307 131.035 122.820 -0.154 0.000 2.293 122 A HA 0.539 4.858 4.320 -0.001 0.000 0.312 122 A C -0.444 176.986 177.584 -0.256 0.000 1.309 122 A CA -0.811 51.129 52.037 -0.162 0.000 0.839 122 A CB -0.127 18.804 19.000 -0.115 0.000 1.155 122 A HN 0.620 nan 8.150 nan 0.000 0.501 123 I N 1.216 121.643 120.570 -0.238 0.000 2.532 123 I HA 0.665 4.834 4.170 -0.001 0.000 0.292 123 I C -0.789 175.239 176.117 -0.149 0.000 1.014 123 I CA -0.547 60.617 61.300 -0.226 0.000 1.340 123 I CB 1.205 39.089 38.000 -0.193 0.000 1.422 123 I HN 0.172 nan 8.210 nan 0.000 0.528 124 V N 6.667 126.502 119.914 -0.132 0.000 2.334 124 V HA 0.394 4.514 4.120 -0.001 0.000 0.281 124 V C 0.202 176.246 176.094 -0.083 0.000 1.016 124 V CA -0.586 61.651 62.300 -0.105 0.000 0.832 124 V CB 0.857 32.614 31.823 -0.109 0.000 0.999 124 V HN 0.902 nan 8.190 nan 0.000 0.439 125 Q N 3.722 123.475 119.800 -0.079 0.000 2.359 125 Q HA 0.873 5.212 4.340 -0.001 0.000 0.275 125 Q C -0.378 175.573 176.000 -0.080 0.000 1.082 125 Q CA -1.037 54.724 55.803 -0.070 0.000 0.849 125 Q CB 2.400 31.102 28.738 -0.061 0.000 1.377 125 Q HN 0.674 nan 8.270 nan 0.000 0.452 126 A N 1.052 123.823 122.820 -0.082 0.000 2.409 126 A HA 0.204 4.523 4.320 -0.001 0.000 0.262 126 A C 0.566 178.085 177.584 -0.108 0.000 1.113 126 A CA -0.480 51.492 52.037 -0.108 0.000 0.790 126 A CB 0.170 19.102 19.000 -0.113 0.000 1.046 126 A HN 0.755 nan 8.150 nan 0.000 0.496 127 R N 1.048 121.457 120.500 -0.152 0.000 2.307 127 R HA 0.270 4.609 4.340 -0.001 0.000 0.199 127 R C 0.454 176.699 176.300 -0.091 0.000 1.000 127 R CA 1.003 57.030 56.100 -0.121 0.000 1.023 127 R CB -0.184 30.013 30.300 -0.172 0.000 0.908 127 R HN 0.897 nan 8.270 nan 0.000 0.473 128 A N -0.293 122.435 122.820 -0.154 0.000 2.415 128 A HA 0.510 4.829 4.320 -0.001 0.000 0.294 128 A C -1.614 175.892 177.584 -0.130 0.000 1.019 128 A CA -0.495 51.496 52.037 -0.077 0.000 0.603 128 A CB -0.066 18.922 19.000 -0.020 0.000 1.382 128 A HN 0.087 nan 8.150 nan 0.000 0.483 129 A N 0.006 122.789 122.820 -0.063 0.000 2.476 129 A HA 0.564 4.883 4.320 -0.001 0.000 0.275 129 A C 0.723 178.187 177.584 -0.200 0.000 1.133 129 A CA 1.057 53.013 52.037 -0.134 0.000 0.797 129 A CB -0.988 17.975 19.000 -0.061 0.000 1.081 129 A HN 2.382 nan 8.150 nan 0.000 0.510 130 G N 0.755 109.347 108.800 -0.347 0.000 2.975 130 G HA2 0.742 4.702 3.960 -0.001 0.000 0.291 130 G HA3 0.742 4.702 3.960 -0.001 0.000 0.291 130 G C -1.128 173.390 174.900 -0.637 0.000 1.334 130 G CA -0.666 44.247 45.100 -0.312 0.000 0.843 130 G HN 0.457 nan 8.290 nan 0.000 0.548 131 F N -0.962 118.982 119.950 -0.011 0.000 2.629 131 F HA 0.638 5.165 4.527 -0.001 0.000 0.316 131 F C 0.294 176.095 175.800 0.002 0.000 1.081 131 F CA -0.837 57.160 58.000 -0.004 0.000 0.954 131 F CB 2.018 41.018 39.000 -0.000 0.000 1.337 131 F HN 0.238 nan 8.300 nan 0.000 0.474 132 I N 0.404 121.097 120.570 0.204 0.000 2.793 132 I HA 0.571 4.740 4.170 -0.001 0.000 0.313 132 I C -1.136 175.037 176.117 0.092 0.000 0.998 132 I CA -0.576 60.790 61.300 0.111 0.000 1.140 132 I CB 1.784 39.829 38.000 0.075 0.000 1.327 132 I HN 0.457 nan 8.210 nan 0.000 0.491 133 D N 1.504 121.947 120.400 0.071 0.000 2.622 133 D HA 0.297 4.937 4.640 -0.001 0.000 0.255 133 D C -0.173 176.146 176.300 0.032 0.000 1.246 133 D CA -0.267 53.758 54.000 0.042 0.000 0.795 133 D CB 1.568 42.391 40.800 0.038 0.000 1.369 133 D HN 0.429 nan 8.370 nan 0.000 0.425 134 K N -0.353 120.034 120.400 -0.022 0.000 2.844 134 K HA -0.196 4.123 4.320 -0.001 0.000 0.177 134 K C -0.526 176.059 176.600 -0.024 0.000 0.804 134 K CA 1.732 57.966 56.287 -0.088 0.000 0.458 134 K CB -1.554 30.837 32.500 -0.182 0.000 0.759 134 K HN 1.041 nan 8.250 nan 0.000 0.761 135 V N -0.296 119.668 119.914 0.083 0.000 5.592 135 V HA -0.225 3.894 4.120 -0.001 0.000 0.366 135 V C 0.224 176.465 176.094 0.245 0.000 0.528 135 V CA 0.949 63.379 62.300 0.217 0.000 1.340 135 V CB -2.074 29.804 31.823 0.092 0.000 1.573 135 V HN 0.443 nan 8.190 nan 0.000 0.537 136 Y N 2.145 122.525 120.300 0.134 0.000 2.812 136 Y HA 0.098 4.648 4.550 -0.001 0.000 0.348 136 Y C -1.040 174.928 175.900 0.114 0.000 1.274 136 Y CA -0.707 57.449 58.100 0.093 0.000 1.489 136 Y CB 0.170 38.663 38.460 0.055 0.000 1.348 136 Y HN 0.332 nan 8.280 nan 0.000 0.646 137 P HA 0.008 nan 4.420 nan 0.000 0.254 137 P C -1.207 176.193 177.300 0.167 0.000 1.467 137 P CA 0.566 63.750 63.100 0.141 0.000 1.281 137 P CB -0.192 31.563 31.700 0.092 0.000 1.754 138 L N 2.466 123.829 121.223 0.234 0.000 2.408 138 L HA 0.494 4.833 4.340 -0.001 0.000 0.268 138 L C 0.885 177.929 176.870 0.290 0.000 0.986 138 L CA -0.248 54.749 54.840 0.263 0.000 0.820 138 L CB 1.996 44.237 42.059 0.303 0.000 1.303 138 L HN 0.156 nan 8.230 nan 0.000 0.411 139 T N -0.471 114.196 114.554 0.189 0.000 2.898 139 T HA 0.506 4.855 4.350 -0.001 0.000 0.283 139 T C 1.043 175.857 174.700 0.189 0.000 1.059 139 T CA -0.197 61.992 62.100 0.149 0.000 0.958 139 T CB 0.613 69.529 68.868 0.078 0.000 1.594 139 T HN 0.145 nan 8.240 nan 0.000 0.598 140 V N 0.607 120.594 119.914 0.121 0.000 2.446 140 V HA 0.192 4.311 4.120 -0.001 0.000 0.244 140 V C 3.011 179.140 176.094 0.059 0.000 1.039 140 V CA 1.656 64.022 62.300 0.110 0.000 1.045 140 V CB -1.469 30.399 31.823 0.075 0.000 0.681 140 V HN 1.036 nan 8.190 nan 0.000 0.459 141 G N 1.442 110.269 108.800 0.045 0.000 2.422 141 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.218 141 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.218 141 G C 0.379 175.287 174.900 0.014 0.000 1.146 141 G CA 0.637 45.753 45.100 0.027 0.000 0.769 141 G HN 0.676 nan 8.290 nan 0.000 0.547 142 D N 0.888 121.299 120.400 0.019 0.000 2.488 142 D HA 0.211 4.850 4.640 -0.001 0.000 0.238 142 D C -0.088 176.193 176.300 -0.031 0.000 1.138 142 D CA 0.161 54.161 54.000 0.001 0.000 0.873 142 D CB 0.638 41.445 40.800 0.013 0.000 1.183 142 D HN 0.242 nan 8.370 nan 0.000 0.458 143 K N 0.685 121.066 120.400 -0.031 0.000 2.201 143 K HA 0.377 4.697 4.320 -0.001 0.000 0.278 143 K C -0.265 176.299 176.600 -0.060 0.000 1.027 143 K CA -1.118 55.141 56.287 -0.046 0.000 0.909 143 K CB 1.617 34.102 32.500 -0.025 0.000 1.062 143 K HN 0.438 nan 8.250 nan 0.000 0.465 144 V N 1.931 121.793 119.914 -0.086 0.000 2.353 144 V HA 0.063 4.182 4.120 -0.001 0.000 0.264 144 V C 0.861 176.909 176.094 -0.076 0.000 1.049 144 V CA -0.192 62.047 62.300 -0.101 0.000 0.896 144 V CB 0.808 32.545 31.823 -0.142 0.000 1.025 144 V HN 0.792 nan 8.190 nan 0.000 0.475 145 Q N 2.799 122.563 119.800 -0.060 0.000 2.045 145 Q HA -0.068 4.272 4.340 -0.001 0.000 0.206 145 Q C 1.041 177.013 176.000 -0.047 0.000 0.991 145 Q CA 1.635 57.413 55.803 -0.043 0.000 0.851 145 Q CB 0.021 28.739 28.738 -0.034 0.000 0.911 145 Q HN 0.745 nan 8.270 nan 0.000 0.418 146 K N -0.320 120.045 120.400 -0.058 0.000 2.279 146 K HA 0.348 4.667 4.320 -0.001 0.000 0.238 146 K C -0.697 175.854 176.600 -0.082 0.000 1.084 146 K CA -0.686 55.565 56.287 -0.059 0.000 0.885 146 K CB 1.327 33.798 32.500 -0.049 0.000 1.319 146 K HN 0.156 nan 8.250 nan 0.000 0.494 147 G N 1.447 110.198 108.800 -0.080 0.000 2.255 147 G HA2 0.204 4.164 3.960 -0.001 0.000 0.267 147 G HA3 0.204 4.164 3.960 -0.001 0.000 0.267 147 G C -0.085 174.750 174.900 -0.110 0.000 1.177 147 G CA 0.448 45.488 45.100 -0.099 0.000 1.027 147 G HN 0.519 nan 8.290 nan 0.000 0.437 148 T N 0.853 115.319 114.554 -0.148 0.000 2.804 148 T HA 0.689 5.038 4.350 -0.001 0.000 0.290 148 T C -3.027 171.516 174.700 -0.262 0.000 1.099 148 T CA -1.906 60.088 62.100 -0.176 0.000 1.011 148 T CB 2.410 71.179 68.868 -0.166 0.000 1.291 148 T HN 0.230 nan 8.240 nan 0.000 0.523 149 P HA 0.190 nan 4.420 nan 0.000 0.265 149 P C 0.054 176.909 177.300 -0.742 0.000 1.222 149 P CA -0.204 62.537 63.100 -0.597 0.000 0.767 149 P CB 0.572 31.706 31.700 -0.943 0.000 0.801 150 L N 4.432 125.408 121.223 -0.412 0.000 2.202 150 L HA 0.197 4.537 4.340 -0.001 0.000 0.205 150 L C 1.273 178.175 176.870 0.052 0.000 1.083 150 L CA 1.319 56.002 54.840 -0.263 0.000 0.790 150 L CB -0.568 41.361 42.059 -0.216 0.000 0.942 150 L HN 0.476 nan 8.230 nan 0.000 0.452 151 L N -5.579 115.731 121.223 0.145 0.000 3.170 151 L HA 0.534 4.873 4.340 -0.001 0.000 0.286 151 L C -2.011 175.046 176.870 0.311 0.000 1.006 151 L CA -1.134 53.949 54.840 0.404 0.000 0.993 151 L CB 1.348 43.570 42.059 0.271 0.000 1.549 151 L HN -0.318 nan 8.230 nan 0.000 0.387 152 D N 1.809 122.351 120.400 0.236 0.000 2.419 152 D HA 0.882 5.522 4.640 -0.001 0.000 0.234 152 D C -0.900 175.478 176.300 0.131 0.000 1.014 152 D CA -0.191 53.911 54.000 0.170 0.000 0.919 152 D CB 2.201 43.072 40.800 0.119 0.000 1.366 152 D HN 0.772 nan 8.370 nan 0.000 0.490 153 L N -1.739 119.575 121.223 0.152 0.000 2.775 153 L HA 0.773 5.112 4.340 -0.001 0.000 0.263 153 L C -0.779 176.188 176.870 0.161 0.000 1.017 153 L CA -0.886 54.039 54.840 0.143 0.000 0.891 153 L CB 0.826 42.952 42.059 0.112 0.000 1.482 153 L HN 0.537 nan 8.230 nan 0.000 0.410 154 T N -1.062 113.568 114.554 0.126 0.000 2.908 154 T HA 0.898 5.248 4.350 -0.001 0.000 0.290 154 T C -0.458 174.335 174.700 0.156 0.000 1.034 154 T CA -0.641 61.499 62.100 0.068 0.000 1.010 154 T CB 2.244 71.126 68.868 0.025 0.000 1.068 154 T HN 0.628 nan 8.240 nan 0.000 0.481 155 I N 2.194 122.848 120.570 0.139 0.000 2.534 155 I HA 0.338 4.507 4.170 -0.001 0.000 0.286 155 I C -2.438 173.816 176.117 0.229 0.000 1.094 155 I CA -2.508 58.886 61.300 0.157 0.000 1.055 155 I CB 2.278 40.254 38.000 -0.041 0.000 1.225 155 I HN 0.421 nan 8.210 nan 0.000 0.435 156 P HA -0.057 nan 4.420 nan 0.000 0.224 156 P C 0.467 177.925 177.300 0.263 0.000 1.268 156 P CA 0.740 63.978 63.100 0.229 0.000 0.686 156 P CB 0.105 31.952 31.700 0.245 0.000 0.830 157 D N -1.593 118.943 120.400 0.225 0.000 4.769 157 D HA -0.346 4.293 4.640 -0.001 0.000 0.434 157 D C 1.728 178.173 176.300 0.241 0.000 1.471 157 D CA 1.952 56.076 54.000 0.206 0.000 1.222 157 D CB -1.702 39.228 40.800 0.217 0.000 0.703 157 D HN 0.353 nan 8.370 nan 0.000 0.751 158 W N 1.120 122.466 121.300 0.077 0.000 2.207 158 W HA -0.366 4.294 4.660 -0.001 0.000 0.335 158 W C 2.605 179.171 176.519 0.077 0.000 1.370 158 W CA 3.139 60.538 57.345 0.089 0.000 1.396 158 W CB -0.791 28.758 29.460 0.147 0.000 1.095 158 W HN 0.158 nan 8.180 nan 0.000 0.490 159 V N -1.724 118.374 119.914 0.307 0.000 2.287 159 V HA -0.319 3.801 4.120 -0.001 0.000 0.248 159 V C 2.025 178.182 176.094 0.105 0.000 1.053 159 V CA 2.613 65.020 62.300 0.179 0.000 1.027 159 V CB -1.373 30.531 31.823 0.136 0.000 0.646 159 V HN 0.291 nan 8.190 nan 0.000 0.447 160 E N 1.038 121.290 120.200 0.087 0.000 2.097 160 E HA -0.252 4.098 4.350 -0.001 0.000 0.196 160 E C 2.210 178.829 176.600 0.032 0.000 1.000 160 E CA 1.773 58.204 56.400 0.052 0.000 0.804 160 E CB -0.439 29.285 29.700 0.042 0.000 0.740 160 E HN 0.738 nan 8.360 nan 0.000 0.454 161 A N 0.848 123.668 122.820 -0.000 0.000 1.902 161 A HA -0.242 4.077 4.320 -0.001 0.000 0.217 161 A C 2.077 179.666 177.584 0.008 0.000 1.181 161 A CA 1.636 53.655 52.037 -0.030 0.000 0.623 161 A CB -0.503 18.418 19.000 -0.131 0.000 0.818 161 A HN 0.369 nan 8.150 nan 0.000 0.443 162 Q N 0.397 120.210 119.800 0.022 0.000 2.084 162 Q HA -0.169 4.171 4.340 -0.001 0.000 0.202 162 Q C 2.430 178.503 176.000 0.123 0.000 0.978 162 Q CA 2.025 57.854 55.803 0.043 0.000 0.844 162 Q CB -0.535 28.240 28.738 0.062 0.000 0.898 162 Q HN 0.823 nan 8.270 nan 0.000 0.426 163 S N 0.851 116.613 115.700 0.104 0.000 2.383 163 S HA -0.209 4.261 4.470 -0.001 0.000 0.227 163 S C 1.906 176.569 174.600 0.104 0.000 1.026 163 S CA 1.177 59.440 58.200 0.105 0.000 0.981 163 S CB -0.267 62.973 63.200 0.067 0.000 0.818 163 S HN 0.435 nan 8.310 nan 0.000 0.472 164 E N 0.795 121.049 120.200 0.089 0.000 2.058 164 E HA -0.280 4.069 4.350 -0.001 0.000 0.194 164 E C 1.988 178.644 176.600 0.093 0.000 0.997 164 E CA 1.578 58.020 56.400 0.069 0.000 0.801 164 E CB -0.478 29.252 29.700 0.050 0.000 0.746 164 E HN 0.752 nan 8.360 nan 0.000 0.450 165 Y N 1.060 121.356 120.300 -0.007 0.000 2.207 165 Y HA -0.192 4.358 4.550 -0.001 0.000 0.287 165 Y C 1.838 177.738 175.900 0.000 0.000 1.156 165 Y CA 1.482 59.579 58.100 -0.005 0.000 1.182 165 Y CB -0.306 38.151 38.460 -0.004 0.000 0.979 165 Y HN 0.076 nan 8.280 nan 0.000 0.521 166 L N 0.134 121.445 121.223 0.145 0.000 2.201 166 L HA -0.156 4.183 4.340 -0.001 0.000 0.212 166 L C 2.385 179.204 176.870 -0.086 0.000 1.105 166 L CA 1.336 56.187 54.840 0.018 0.000 0.775 166 L CB -0.482 41.667 42.059 0.149 0.000 0.913 166 L HN 0.505 nan 8.230 nan 0.000 0.440 167 L N -2.588 118.602 121.223 -0.055 0.000 2.179 167 L HA -0.082 4.258 4.340 -0.001 0.000 0.208 167 L C 2.098 178.910 176.870 -0.098 0.000 1.096 167 L CA 1.384 56.190 54.840 -0.057 0.000 0.779 167 L CB -0.592 41.452 42.059 -0.025 0.000 0.922 167 L HN -0.031 nan 8.230 nan 0.000 0.443 168 L N 0.047 121.184 121.223 -0.144 0.000 2.109 168 L HA -0.002 4.337 4.340 -0.001 0.000 0.207 168 L C 2.922 179.668 176.870 -0.207 0.000 1.086 168 L CA 1.750 56.496 54.840 -0.156 0.000 0.760 168 L CB -0.982 40.989 42.059 -0.147 0.000 0.910 168 L HN 0.413 nan 8.230 nan 0.000 0.437 169 R N -0.368 119.926 120.500 -0.344 0.000 2.091 169 R HA -0.161 4.179 4.340 -0.001 0.000 0.238 169 R C 2.099 178.306 176.300 -0.155 0.000 1.136 169 R CA 1.404 57.326 56.100 -0.297 0.000 0.959 169 R CB -0.024 30.027 30.300 -0.416 0.000 0.856 169 R HN 0.357 nan 8.270 nan 0.000 0.437 170 E N 0.059 120.183 120.200 -0.127 0.000 2.007 170 E HA -0.137 4.212 4.350 -0.001 0.000 0.194 170 E C 1.456 178.019 176.600 -0.061 0.000 0.999 170 E CA 1.911 58.267 56.400 -0.073 0.000 0.811 170 E CB -0.405 29.262 29.700 -0.055 0.000 0.762 170 E HN 0.457 nan 8.360 nan 0.000 0.450 171 T N -0.792 113.725 114.554 -0.062 0.000 3.418 171 T HA 0.359 4.709 4.350 -0.001 0.000 0.239 171 T C 0.741 175.412 174.700 -0.048 0.000 0.905 171 T CA 0.207 62.279 62.100 -0.046 0.000 0.929 171 T CB -0.691 68.154 68.868 -0.038 0.000 1.121 171 T HN 0.272 nan 8.240 nan 0.000 0.608 172 G N 0.393 109.161 108.800 -0.053 0.000 2.432 172 G HA2 0.185 4.145 3.960 -0.001 0.000 0.215 172 G HA3 0.185 4.145 3.960 -0.001 0.000 0.215 172 G C 0.312 175.186 174.900 -0.044 0.000 0.217 172 G CA -0.207 44.865 45.100 -0.048 0.000 1.074 172 G HN 1.042 nan 8.290 nan 0.000 0.486 173 G N 0.334 109.102 108.800 -0.053 0.000 3.140 173 G HA2 0.794 4.754 3.960 -0.001 0.000 0.271 173 G HA3 0.794 4.754 3.960 -0.001 0.000 0.271 173 G C 0.272 175.153 174.900 -0.032 0.000 1.370 173 G CA 0.291 45.366 45.100 -0.042 0.000 1.014 173 G HN 1.260 nan 8.290 nan 0.000 0.541 174 T N -0.200 114.341 114.554 -0.022 0.000 2.754 174 T HA 0.376 4.726 4.350 -0.001 0.000 0.282 174 T C 1.658 176.354 174.700 -0.007 0.000 0.923 174 T CA 0.689 62.782 62.100 -0.012 0.000 1.164 174 T CB 0.380 69.244 68.868 -0.006 0.000 0.873 174 T HN 0.936 nan 8.240 nan 0.000 0.537 175 A N 4.488 127.305 122.820 -0.005 0.000 1.978 175 A HA -0.062 4.257 4.320 -0.001 0.000 0.220 175 A C 2.629 180.225 177.584 0.019 0.000 1.170 175 A CA 2.305 54.345 52.037 0.006 0.000 0.636 175 A CB -1.333 17.671 19.000 0.007 0.000 0.810 175 A HN 1.030 nan 8.150 nan 0.000 0.448 176 T N -2.699 111.862 114.554 0.012 0.000 2.777 176 T HA -0.212 4.138 4.350 -0.001 0.000 0.266 176 T C 1.966 176.677 174.700 0.017 0.000 1.040 176 T CA 1.814 63.922 62.100 0.013 0.000 1.141 176 T CB -0.296 68.576 68.868 0.007 0.000 0.868 176 T HN 0.377 nan 8.240 nan 0.000 0.444 177 Q N 1.245 121.054 119.800 0.014 0.000 2.172 177 Q HA -0.009 4.330 4.340 -0.001 0.000 0.200 177 Q C 2.449 178.469 176.000 0.033 0.000 0.964 177 Q CA 2.077 57.889 55.803 0.015 0.000 0.855 177 Q CB -0.799 27.943 28.738 0.007 0.000 0.918 177 Q HN 0.841 nan 8.270 nan 0.000 0.444 178 T N -1.989 112.593 114.554 0.047 0.000 2.788 178 T HA -0.178 4.171 4.350 -0.001 0.000 0.268 178 T C 1.653 176.430 174.700 0.128 0.000 1.044 178 T CA 1.443 63.608 62.100 0.109 0.000 1.139 178 T CB -0.330 68.597 68.868 0.099 0.000 0.867 178 T HN 0.294 nan 8.240 nan 0.000 0.454 179 E N 1.868 122.116 120.200 0.080 0.000 2.208 179 E HA 0.105 4.455 4.350 -0.001 0.000 0.193 179 E C 2.319 178.934 176.600 0.026 0.000 0.988 179 E CA 1.329 57.762 56.400 0.055 0.000 0.828 179 E CB -1.075 28.650 29.700 0.040 0.000 0.763 179 E HN 0.596 nan 8.360 nan 0.000 0.478 180 G N 1.016 109.829 108.800 0.021 0.000 2.402 180 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.216 180 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.216 180 G C 1.705 176.600 174.900 -0.008 0.000 1.162 180 G CA 0.715 45.817 45.100 0.004 0.000 0.777 180 G HN 0.392 nan 8.290 nan 0.000 0.539 181 I N -0.215 120.358 120.570 0.005 0.000 2.315 181 I HA -0.089 4.081 4.170 -0.001 0.000 0.248 181 I C 2.432 178.522 176.117 -0.045 0.000 1.117 181 I CA 0.670 61.962 61.300 -0.014 0.000 1.404 181 I CB 0.076 38.088 38.000 0.020 0.000 1.071 181 I HN 0.077 nan 8.210 nan 0.000 0.419 182 L N 0.719 121.925 121.223 -0.029 0.000 2.056 182 L HA -0.211 4.128 4.340 -0.001 0.000 0.207 182 L C 2.537 179.369 176.870 -0.063 0.000 1.078 182 L CA 1.641 56.440 54.840 -0.069 0.000 0.749 182 L CB -1.032 40.991 42.059 -0.061 0.000 0.901 182 L HN 0.278 nan 8.230 nan 0.000 0.433 183 E N 0.222 120.398 120.200 -0.041 0.000 2.110 183 E HA -0.213 4.136 4.350 -0.001 0.000 0.193 183 E C 2.303 178.868 176.600 -0.058 0.000 0.988 183 E CA 1.094 57.470 56.400 -0.039 0.000 0.804 183 E CB 0.079 29.765 29.700 -0.023 0.000 0.745 183 E HN 0.418 nan 8.360 nan 0.000 0.458 184 R N -0.238 120.218 120.500 -0.073 0.000 2.148 184 R HA -0.082 4.257 4.340 -0.001 0.000 0.227 184 R C 2.467 178.665 176.300 -0.171 0.000 1.103 184 R CA 0.813 56.853 56.100 -0.101 0.000 0.983 184 R CB -0.120 30.123 30.300 -0.095 0.000 0.874 184 R HN 0.135 nan 8.270 nan 0.000 0.451 185 L N 0.296 121.402 121.223 -0.195 0.000 2.102 185 L HA -0.016 4.323 4.340 -0.001 0.000 0.202 185 L C 2.281 179.046 176.870 -0.174 0.000 1.076 185 L CA 1.411 56.065 54.840 -0.309 0.000 0.761 185 L CB -0.156 41.734 42.059 -0.282 0.000 0.921 185 L HN -0.067 nan 8.230 nan 0.000 0.444 186 R N -0.552 119.899 120.500 -0.082 0.000 2.293 186 R HA -0.145 4.194 4.340 -0.001 0.000 0.219 186 R C 1.940 178.231 176.300 -0.015 0.000 1.091 186 R CA 1.212 57.301 56.100 -0.019 0.000 1.004 186 R CB -0.146 30.143 30.300 -0.019 0.000 0.865 186 R HN 0.362 nan 8.270 nan 0.000 0.469 187 L N -1.147 120.047 121.223 -0.048 0.000 2.202 187 L HA 0.217 4.556 4.340 -0.001 0.000 0.205 187 L C 2.005 178.862 176.870 -0.022 0.000 1.083 187 L CA 1.763 56.582 54.840 -0.035 0.000 0.790 187 L CB -0.871 41.160 42.059 -0.048 0.000 0.942 187 L HN -0.033 nan 8.230 nan 0.000 0.452 188 A N 0.176 122.941 122.820 -0.091 0.000 1.902 188 A HA 0.332 4.652 4.320 -0.001 0.000 0.217 188 A C 1.718 179.491 177.584 0.315 0.000 1.181 188 A CA 1.375 53.378 52.037 -0.058 0.000 0.623 188 A CB -1.026 17.589 19.000 -0.642 0.000 0.818 188 A HN 1.113 nan 8.150 nan 0.000 0.443 189 G N -1.906 107.097 108.800 0.337 0.000 2.519 189 G HA2 0.187 4.146 3.960 -0.001 0.000 0.229 189 G HA3 0.187 4.146 3.960 -0.001 0.000 0.229 189 G C -0.332 174.760 174.900 0.320 0.000 1.333 189 G CA 0.018 45.312 45.100 0.322 0.000 0.939 189 G HN 0.536 nan 8.290 nan 0.000 0.501 190 M N 2.356 122.119 119.600 0.270 0.000 2.149 190 M HA 0.573 5.052 4.480 -0.001 0.000 0.342 190 M C -2.066 174.277 176.300 0.073 0.000 1.068 190 M CA -2.110 53.314 55.300 0.207 0.000 0.991 190 M CB 1.505 34.292 32.600 0.311 0.000 1.596 190 M HN 0.014 nan 8.290 nan 0.000 0.439 191 P HA -0.017 nan 4.420 nan 0.000 0.264 191 P C -0.579 176.741 177.300 0.034 0.000 1.183 191 P CA 0.422 63.527 63.100 0.008 0.000 0.763 191 P CB 0.465 32.161 31.700 -0.006 0.000 0.807 192 E N 1.939 122.149 120.200 0.018 0.000 2.204 192 E HA -0.152 4.198 4.350 -0.001 0.000 0.195 192 E C 1.955 178.569 176.600 0.023 0.000 0.990 192 E CA 1.365 57.775 56.400 0.017 0.000 0.821 192 E CB -0.205 29.500 29.700 0.008 0.000 0.750 192 E HN 0.553 nan 8.360 nan 0.000 0.477 193 A N 1.425 124.261 122.820 0.027 0.000 1.930 193 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 193 A C 1.606 179.219 177.584 0.048 0.000 1.175 193 A CA 1.536 53.592 52.037 0.032 0.000 0.627 193 A CB -0.150 18.867 19.000 0.028 0.000 0.815 193 A HN 0.051 nan 8.150 nan 0.000 0.443 194 D N 0.094 120.539 120.400 0.075 0.000 2.194 194 D HA -0.076 4.564 4.640 -0.001 0.000 0.204 194 D C 1.946 178.291 176.300 0.075 0.000 0.964 194 D CA 1.341 55.403 54.000 0.105 0.000 0.846 194 D CB -0.269 40.657 40.800 0.210 0.000 0.962 194 D HN 0.667 nan 8.370 nan 0.000 0.490 195 I N -1.235 119.368 120.570 0.054 0.000 2.493 195 I HA -0.107 4.063 4.170 -0.001 0.000 0.254 195 I C 1.946 178.062 176.117 -0.002 0.000 1.160 195 I CA 0.778 62.079 61.300 0.002 0.000 1.445 195 I CB -0.319 37.665 38.000 -0.028 0.000 1.086 195 I HN -0.151 nan 8.210 nan 0.000 0.433 196 R N 1.489 121.999 120.500 0.016 0.000 2.066 196 R HA -0.008 4.331 4.340 -0.001 0.000 0.232 196 R C 2.506 178.822 176.300 0.026 0.000 1.131 196 R CA 1.197 57.309 56.100 0.020 0.000 0.955 196 R CB -0.408 29.905 30.300 0.021 0.000 0.851 196 R HN 0.373 nan 8.270 nan 0.000 0.432 197 R N 0.912 121.429 120.500 0.030 0.000 2.127 197 R HA -0.140 4.199 4.340 -0.001 0.000 0.238 197 R C 2.392 178.710 176.300 0.030 0.000 1.134 197 R CA 1.360 57.479 56.100 0.031 0.000 0.975 197 R CB -0.556 29.765 30.300 0.035 0.000 0.865 197 R HN 0.202 nan 8.270 nan 0.000 0.447 198 L N -0.094 121.145 121.223 0.027 0.000 2.005 198 L HA -0.049 4.290 4.340 -0.001 0.000 0.207 198 L C 1.918 178.818 176.870 0.049 0.000 1.072 198 L CA 1.659 56.516 54.840 0.028 0.000 0.744 198 L CB -0.750 41.312 42.059 0.004 0.000 0.895 198 L HN 0.011 nan 8.230 nan 0.000 0.433 199 I N 0.561 121.163 120.570 0.052 0.000 2.454 199 I HA -0.242 3.928 4.170 -0.001 0.000 0.254 199 I C 2.685 178.840 176.117 0.063 0.000 1.156 199 I CA 1.018 62.370 61.300 0.087 0.000 1.433 199 I CB -0.791 37.264 38.000 0.092 0.000 1.082 199 I HN 0.484 nan 8.210 nan 0.000 0.432 200 A N 1.086 123.934 122.820 0.045 0.000 1.840 200 A HA -0.180 4.140 4.320 -0.001 0.000 0.214 200 A C 2.428 180.031 177.584 0.033 0.000 1.198 200 A CA 2.272 54.330 52.037 0.035 0.000 0.608 200 A CB -1.032 17.986 19.000 0.029 0.000 0.839 200 A HN 0.462 nan 8.150 nan 0.000 0.443 201 T N -5.767 108.806 114.554 0.031 0.000 3.065 201 T HA 0.149 4.498 4.350 -0.001 0.000 0.252 201 T C 1.217 175.937 174.700 0.032 0.000 1.099 201 T CA 1.125 63.241 62.100 0.027 0.000 1.063 201 T CB 0.489 69.370 68.868 0.020 0.000 0.948 201 T HN 0.396 nan 8.240 nan 0.000 0.506 202 Q N 0.766 120.593 119.800 0.045 0.000 3.582 202 Q HA -0.230 4.110 4.340 -0.001 0.000 0.212 202 Q C -0.300 175.732 176.000 0.054 0.000 2.682 202 Q CA 1.997 57.837 55.803 0.062 0.000 0.372 202 Q CB -1.645 27.128 28.738 0.058 0.000 0.312 202 Q HN 0.794 nan 8.270 nan 0.000 0.562 203 K N 2.085 122.505 120.400 0.034 0.000 2.392 203 K HA -0.076 4.243 4.320 -0.001 0.000 0.259 203 K C 0.662 177.275 176.600 0.022 0.000 1.141 203 K CA 0.657 56.958 56.287 0.022 0.000 1.208 203 K CB -0.607 31.899 32.500 0.009 0.000 0.786 203 K HN 0.324 nan 8.250 nan 0.000 0.498 204 I N 2.682 123.269 120.570 0.029 0.000 3.115 204 I HA -0.222 3.947 4.170 -0.001 0.000 0.315 204 I C 1.113 177.227 176.117 -0.005 0.000 1.211 204 I CA 0.598 61.915 61.300 0.028 0.000 1.453 204 I CB 0.055 38.073 38.000 0.030 0.000 1.307 204 I HN 0.441 nan 8.210 nan 0.000 0.568 205 Q N 5.032 124.827 119.800 -0.008 0.000 2.324 205 Q HA 0.062 4.402 4.340 -0.001 0.000 0.257 205 Q C 0.748 176.631 176.000 -0.195 0.000 1.080 205 Q CA 0.198 55.964 55.803 -0.063 0.000 0.907 205 Q CB 0.954 29.694 28.738 0.003 0.000 1.274 205 Q HN 0.807 nan 8.270 nan 0.000 0.434 206 T N 2.940 117.366 114.554 -0.214 0.000 2.688 206 T HA 0.029 4.378 4.350 -0.001 0.000 0.237 206 T C 0.371 174.790 174.700 -0.468 0.000 1.120 206 T CA 0.720 62.676 62.100 -0.240 0.000 1.469 206 T CB 0.321 69.107 68.868 -0.137 0.000 1.032 206 T HN 0.704 nan 8.240 nan 0.000 0.405 207 R N 0.380 120.635 120.500 -0.408 0.000 2.599 207 R HA 0.612 4.951 4.340 -0.001 0.000 0.295 207 R C -1.273 174.829 176.300 -0.330 0.000 0.963 207 R CA -0.878 54.937 56.100 -0.476 0.000 0.883 207 R CB 1.120 31.323 30.300 -0.163 0.000 1.171 207 R HN 0.387 nan 8.270 nan 0.000 0.450 208 F N -0.444 119.499 119.950 -0.012 0.000 2.556 208 F HA 0.667 5.194 4.527 -0.001 0.000 0.327 208 F C -0.145 175.651 175.800 -0.007 0.000 1.059 208 F CA -1.679 56.316 58.000 -0.010 0.000 0.953 208 F CB 1.439 40.424 39.000 -0.024 0.000 1.227 208 F HN 0.602 nan 8.300 nan 0.000 0.478 209 T N 0.478 115.171 114.554 0.232 0.000 2.812 209 T HA 0.688 5.038 4.350 -0.001 0.000 0.282 209 T C -0.751 173.974 174.700 0.043 0.000 0.990 209 T CA -0.833 61.350 62.100 0.139 0.000 0.960 209 T CB 1.071 70.032 68.868 0.155 0.000 0.948 209 T HN 0.821 nan 8.240 nan 0.000 0.438 210 L N 0.813 122.032 121.223 -0.006 0.000 2.375 210 L HA 0.772 5.112 4.340 -0.001 0.000 0.271 210 L C -0.324 176.486 176.870 -0.099 0.000 1.107 210 L CA -0.496 54.304 54.840 -0.068 0.000 0.806 210 L CB 0.188 42.191 42.059 -0.092 0.000 1.146 210 L HN 0.652 nan 8.230 nan 0.000 0.447 211 K N 2.364 122.698 120.400 -0.109 0.000 2.397 211 K HA 0.774 5.094 4.320 -0.001 0.000 0.253 211 K C -0.517 176.004 176.600 -0.132 0.000 0.932 211 K CA -0.766 55.441 56.287 -0.135 0.000 0.795 211 K CB 1.974 34.407 32.500 -0.111 0.000 1.159 211 K HN 0.928 nan 8.250 nan 0.000 0.424 212 A N 3.861 126.586 122.820 -0.158 0.000 2.555 212 A HA 0.085 4.404 4.320 -0.001 0.000 0.233 212 A C -1.660 175.854 177.584 -0.117 0.000 1.060 212 A CA -0.597 51.349 52.037 -0.151 0.000 0.759 212 A CB -0.248 18.645 19.000 -0.178 0.000 0.995 212 A HN 0.541 nan 8.150 nan 0.000 0.506 213 P HA -0.006 nan 4.420 nan 0.000 0.212 213 P C 0.551 177.806 177.300 -0.075 0.000 1.179 213 P CA 0.742 63.792 63.100 -0.083 0.000 0.898 213 P CB -0.084 31.568 31.700 -0.080 0.000 0.775 214 I N -1.952 118.569 120.570 -0.081 0.000 2.437 214 I HA 0.420 4.589 4.170 -0.001 0.000 0.298 214 I C -0.554 175.519 176.117 -0.074 0.000 0.984 214 I CA -1.243 60.018 61.300 -0.066 0.000 1.214 214 I CB 0.600 38.564 38.000 -0.059 0.000 1.365 214 I HN -0.224 nan 8.210 nan 0.000 0.469 215 D N 3.716 124.082 120.400 -0.056 0.000 2.478 215 D HA 0.484 5.123 4.640 -0.001 0.000 0.234 215 D C 0.773 177.034 176.300 -0.064 0.000 1.154 215 D CA 1.843 55.810 54.000 -0.054 0.000 0.874 215 D CB 0.785 41.566 40.800 -0.031 0.000 1.198 215 D HN 1.037 nan 8.370 nan 0.000 0.455 216 G N -0.424 108.333 108.800 -0.072 0.000 2.272 216 G HA2 0.111 4.070 3.960 -0.001 0.000 0.068 216 G HA3 0.111 4.070 3.960 -0.001 0.000 0.068 216 G C -1.361 173.484 174.900 -0.092 0.000 1.073 216 G CA -0.215 44.840 45.100 -0.074 0.000 1.154 216 G HN 0.533 nan 8.290 nan 0.000 0.429 217 V N 1.158 120.995 119.914 -0.129 0.000 2.680 217 V HA 0.609 4.728 4.120 -0.001 0.000 0.309 217 V C -0.051 175.959 176.094 -0.141 0.000 1.052 217 V CA -0.629 61.597 62.300 -0.124 0.000 0.908 217 V CB 1.588 33.341 31.823 -0.117 0.000 1.001 217 V HN 0.635 nan 8.190 nan 0.000 0.431 218 I N 3.429 123.931 120.570 -0.112 0.000 2.533 218 I HA 0.278 4.448 4.170 -0.001 0.000 0.284 218 I C 0.855 176.939 176.117 -0.054 0.000 1.109 218 I CA 0.805 62.045 61.300 -0.101 0.000 1.412 218 I CB 1.064 39.013 38.000 -0.086 0.000 1.396 218 I HN 0.824 nan 8.210 nan 0.000 0.543 219 T N 4.165 118.684 114.554 -0.058 0.000 3.064 219 T HA 0.785 5.134 4.350 -0.001 0.000 0.367 219 T C -0.238 174.468 174.700 0.010 0.000 1.202 219 T CA -0.155 61.935 62.100 -0.016 0.000 1.133 219 T CB 0.386 69.252 68.868 -0.004 0.000 1.074 219 T HN 1.405 nan 8.240 nan 0.000 0.519 220 A N 2.274 125.125 122.820 0.052 0.000 2.435 220 A HA 0.318 4.638 4.320 -0.001 0.000 0.686 220 A C -0.313 177.366 177.584 0.157 0.000 0.138 220 A CA -0.111 51.968 52.037 0.071 0.000 0.026 220 A CB -1.768 17.255 19.000 0.037 0.000 3.973 220 A HN 2.421 nan 8.150 nan 0.000 0.548 221 F N 2.812 122.740 119.950 -0.038 0.000 3.796 221 F HA 0.366 4.892 4.527 -0.001 0.000 0.450 221 F C -0.244 175.543 175.800 -0.021 0.000 0.818 221 F CA 0.128 58.106 58.000 -0.037 0.000 1.663 221 F CB 0.149 39.123 39.000 -0.044 0.000 2.576 221 F HN 0.456 nan 8.300 nan 0.000 0.809 222 D N 3.236 123.424 120.400 -0.354 0.000 2.455 222 D HA 0.192 4.831 4.640 -0.001 0.000 0.228 222 D C 0.878 176.956 176.300 -0.371 0.000 1.070 222 D CA 0.361 54.150 54.000 -0.351 0.000 0.881 222 D CB 0.605 41.311 40.800 -0.158 0.000 1.087 222 D HN 0.371 nan 8.370 nan 0.000 0.498 223 L N 2.660 123.701 121.223 -0.304 0.000 2.540 223 L HA 0.177 4.516 4.340 -0.001 0.000 0.276 223 L C 0.818 177.552 176.870 -0.226 0.000 1.212 223 L CA 0.317 55.041 54.840 -0.193 0.000 0.893 223 L CB -0.184 41.813 42.059 -0.102 0.000 1.138 223 L HN -0.020 nan 8.230 nan 0.000 0.491 224 R N 2.996 123.413 120.500 -0.139 0.000 2.855 224 R HA 0.895 5.235 4.340 -0.001 0.000 0.266 224 R C -0.075 176.196 176.300 -0.047 0.000 1.034 224 R CA -0.015 56.025 56.100 -0.101 0.000 0.944 224 R CB 1.529 31.764 30.300 -0.108 0.000 1.219 224 R HN 0.745 nan 8.270 nan 0.000 0.474 225 A N 0.088 122.891 122.820 -0.027 0.000 5.691 225 A HA 0.022 4.341 4.320 -0.001 0.000 0.271 225 A C 0.246 177.838 177.584 0.012 0.000 2.133 225 A CA 0.536 52.568 52.037 -0.010 0.000 0.713 225 A CB -2.118 16.875 19.000 -0.012 0.000 1.115 225 A HN 1.543 nan 8.150 nan 0.000 0.356 226 G N -2.088 106.728 108.800 0.027 0.000 2.574 226 G HA2 0.683 4.642 3.960 -0.001 0.000 0.306 226 G HA3 0.683 4.642 3.960 -0.001 0.000 0.306 226 G C -0.505 174.445 174.900 0.085 0.000 1.334 226 G CA 0.087 45.227 45.100 0.065 0.000 0.954 226 G HN 0.832 nan 8.290 nan 0.000 0.500 227 M N 1.755 121.407 119.600 0.087 0.000 2.777 227 M HA 0.433 4.912 4.480 -0.001 0.000 0.307 227 M C -0.376 175.984 176.300 0.100 0.000 1.228 227 M CA -1.253 54.095 55.300 0.080 0.000 0.871 227 M CB 2.047 34.660 32.600 0.021 0.000 1.721 227 M HN 0.554 nan 8.290 nan 0.000 0.487 228 N N 1.370 120.108 118.700 0.063 0.000 2.434 228 N HA 0.538 5.277 4.740 -0.001 0.000 0.272 228 N C -1.692 173.717 175.510 -0.169 0.000 1.040 228 N CA -0.183 52.814 53.050 -0.088 0.000 0.956 228 N CB 0.930 39.452 38.487 0.058 0.000 1.108 228 N HN 0.462 nan 8.380 nan 0.000 0.481 229 I N 1.005 121.391 120.570 -0.306 0.000 2.466 229 I HA 0.575 4.744 4.170 -0.001 0.000 0.289 229 I C -0.296 175.693 176.117 -0.214 0.000 1.026 229 I CA -0.750 60.426 61.300 -0.206 0.000 1.078 229 I CB 1.791 39.686 38.000 -0.175 0.000 1.249 229 I HN 0.772 nan 8.210 nan 0.000 0.429 230 A N 5.801 128.542 122.820 -0.132 0.000 2.365 230 A HA 0.853 5.172 4.320 -0.001 0.000 0.318 230 A C 0.152 177.696 177.584 -0.068 0.000 1.091 230 A CA -0.167 51.811 52.037 -0.099 0.000 0.763 230 A CB 1.114 20.073 19.000 -0.068 0.000 1.248 230 A HN 0.851 nan 8.150 nan 0.000 0.442 231 K N 0.448 120.818 120.400 -0.050 0.000 1.882 231 K HA -0.237 4.083 4.320 -0.001 0.000 0.199 231 K C -1.080 175.493 176.600 -0.044 0.000 1.562 231 K CA 1.895 58.162 56.287 -0.033 0.000 0.515 231 K CB -1.409 31.078 32.500 -0.022 0.000 0.682 231 K HN 0.423 nan 8.250 nan 0.000 0.843 232 D N 1.807 122.186 120.400 -0.035 0.000 2.767 232 D HA 0.289 4.929 4.640 -0.001 0.000 0.241 232 D C -1.012 175.264 176.300 -0.041 0.000 1.187 232 D CA -0.229 53.748 54.000 -0.039 0.000 0.999 232 D CB -0.414 40.368 40.800 -0.029 0.000 1.042 232 D HN 0.361 nan 8.370 nan 0.000 0.510 233 N N -0.143 118.527 118.700 -0.049 0.000 2.472 233 N HA 0.199 4.938 4.740 -0.001 0.000 0.277 233 N C -0.357 175.127 175.510 -0.044 0.000 1.081 233 N CA -0.674 52.349 53.050 -0.044 0.000 0.973 233 N CB 2.041 40.499 38.487 -0.049 0.000 1.105 233 N HN 0.030 nan 8.380 nan 0.000 0.470 234 V N 4.457 124.348 119.914 -0.038 0.000 2.381 234 V HA 0.011 4.130 4.120 -0.001 0.000 0.257 234 V C 1.211 177.291 176.094 -0.024 0.000 1.057 234 V CA -0.081 62.194 62.300 -0.042 0.000 1.013 234 V CB -0.120 31.674 31.823 -0.048 0.000 1.069 234 V HN 0.673 nan 8.190 nan 0.000 0.484 235 V N 5.001 124.906 119.914 -0.016 0.000 2.488 235 V HA 0.470 4.590 4.120 -0.001 0.000 0.246 235 V C 0.836 176.989 176.094 0.098 0.000 1.046 235 V CA 1.339 63.657 62.300 0.029 0.000 1.053 235 V CB -0.456 31.384 31.823 0.029 0.000 0.679 235 V HN 1.290 nan 8.190 nan 0.000 0.458 236 A N -0.598 122.250 122.820 0.046 0.000 2.609 236 A HA 0.823 5.143 4.320 -0.001 0.000 0.291 236 A C -0.822 176.713 177.584 -0.081 0.000 1.096 236 A CA -0.683 51.385 52.037 0.052 0.000 0.684 236 A CB 1.856 20.850 19.000 -0.010 0.000 1.282 236 A HN 0.435 nan 8.150 nan 0.000 0.412 237 K N 0.480 120.807 120.400 -0.121 0.000 2.523 237 K HA 0.764 5.084 4.320 -0.001 0.000 0.257 237 K C -1.930 174.523 176.600 -0.244 0.000 0.932 237 K CA -0.466 55.676 56.287 -0.241 0.000 0.812 237 K CB 1.581 33.904 32.500 -0.295 0.000 1.326 237 K HN 0.668 nan 8.250 nan 0.000 0.433 238 I N 2.181 122.575 120.570 -0.295 0.000 2.828 238 I HA 0.325 4.495 4.170 -0.001 0.000 0.302 238 I C -0.857 175.135 176.117 -0.209 0.000 1.101 238 I CA -1.153 60.012 61.300 -0.226 0.000 1.031 238 I CB 2.247 40.130 38.000 -0.194 0.000 1.231 238 I HN 0.501 nan 8.210 nan 0.000 0.427 239 Q N 2.348 122.030 119.800 -0.197 0.000 2.312 239 Q HA 0.503 4.843 4.340 -0.001 0.000 0.263 239 Q C -0.301 175.559 176.000 -0.232 0.000 0.995 239 Q CA -0.481 55.178 55.803 -0.241 0.000 0.853 239 Q CB 2.317 30.776 28.738 -0.466 0.000 1.300 239 Q HN 0.863 nan 8.270 nan 0.000 0.448 240 G N 1.603 110.309 108.800 -0.157 0.000 2.420 240 G HA2 0.431 4.391 3.960 -0.001 0.000 0.284 240 G HA3 0.431 4.391 3.960 -0.001 0.000 0.284 240 G C 0.245 175.148 174.900 0.006 0.000 1.177 240 G CA -0.225 44.834 45.100 -0.069 0.000 0.841 240 G HN 0.665 nan 8.290 nan 0.000 0.527 241 M N 0.515 120.148 119.600 0.054 0.000 2.306 241 M HA 0.121 4.600 4.480 -0.001 0.000 0.292 241 M C 1.490 177.850 176.300 0.100 0.000 1.018 241 M CA -0.153 55.234 55.300 0.145 0.000 1.007 241 M CB 0.610 33.281 32.600 0.119 0.000 1.510 241 M HN 0.621 nan 8.290 nan 0.000 0.537 242 D N 1.721 122.161 120.400 0.067 0.000 2.084 242 D HA 0.009 4.648 4.640 -0.001 0.000 0.196 242 D C -1.837 174.506 176.300 0.073 0.000 0.985 242 D CA 1.098 55.133 54.000 0.058 0.000 0.826 242 D CB -0.663 40.164 40.800 0.044 0.000 0.978 242 D HN 0.143 nan 8.370 nan 0.000 0.456 243 P HA 0.263 nan 4.420 nan 0.000 0.298 243 P C -1.152 176.222 177.300 0.123 0.000 1.314 243 P CA -0.507 62.667 63.100 0.123 0.000 0.854 243 P CB 2.251 34.047 31.700 0.159 0.000 1.019 244 V N 3.286 123.292 119.914 0.153 0.000 2.604 244 V HA 0.389 4.508 4.120 -0.001 0.000 0.305 244 V C -0.897 175.378 176.094 0.302 0.000 1.043 244 V CA -0.407 61.964 62.300 0.118 0.000 0.888 244 V CB 1.817 33.647 31.823 0.012 0.000 0.995 244 V HN 0.498 nan 8.190 nan 0.000 0.429 245 W N 4.046 125.292 121.300 -0.089 0.000 2.291 245 W HA 0.623 5.282 4.660 -0.001 0.000 0.312 245 W C -0.143 176.311 176.519 -0.109 0.000 1.061 245 W CA -0.947 56.343 57.345 -0.092 0.000 1.296 245 W CB 1.527 30.937 29.460 -0.083 0.000 1.223 245 W HN 0.386 nan 8.180 nan 0.000 0.421 246 V N 4.799 124.747 119.914 0.057 0.000 2.370 246 V HA 0.666 4.785 4.120 -0.001 0.000 0.283 246 V C -0.254 175.793 176.094 -0.079 0.000 1.023 246 V CA -0.076 62.208 62.300 -0.027 0.000 0.857 246 V CB 1.236 33.023 31.823 -0.060 0.000 0.985 246 V HN 0.412 nan 8.190 nan 0.000 0.443 247 T N 6.849 121.364 114.554 -0.065 0.000 2.794 247 T HA 0.805 5.154 4.350 -0.001 0.000 0.280 247 T C 0.006 174.650 174.700 -0.094 0.000 0.987 247 T CA 0.165 62.213 62.100 -0.087 0.000 0.993 247 T CB 1.425 70.266 68.868 -0.046 0.000 0.939 247 T HN 1.241 nan 8.240 nan 0.000 0.449 248 A N 2.049 124.795 122.820 -0.124 0.000 2.354 248 A HA 0.881 5.200 4.320 -0.001 0.000 0.321 248 A C -0.172 177.337 177.584 -0.126 0.000 1.125 248 A CA -0.969 51.003 52.037 -0.109 0.000 0.799 248 A CB 1.009 19.921 19.000 -0.147 0.000 1.293 248 A HN 0.984 nan 8.150 nan 0.000 0.452 249 A N 1.625 124.406 122.820 -0.065 0.000 2.276 249 A HA 0.602 4.922 4.320 -0.001 0.000 0.300 249 A C -0.371 177.070 177.584 -0.238 0.000 1.235 249 A CA -0.172 51.831 52.037 -0.057 0.000 0.867 249 A CB -0.167 18.876 19.000 0.072 0.000 1.137 249 A HN 0.610 nan 8.150 nan 0.000 0.527 250 I N 3.639 124.066 120.570 -0.238 0.000 2.603 250 I HA 0.465 4.634 4.170 -0.001 0.000 0.300 250 I C -2.507 173.552 176.117 -0.095 0.000 1.017 250 I CA -2.645 58.457 61.300 -0.330 0.000 1.098 250 I CB 2.010 39.840 38.000 -0.283 0.000 1.279 250 I HN 0.328 nan 8.210 nan 0.000 0.437 251 P HA 0.273 nan 4.420 nan 0.000 0.293 251 P C 0.392 177.715 177.300 0.039 0.000 1.300 251 P CA -0.463 62.666 63.100 0.048 0.000 0.792 251 P CB 0.488 32.252 31.700 0.107 0.000 0.925 252 E N 1.156 121.389 120.200 0.055 0.000 2.209 252 E HA -0.159 4.190 4.350 -0.001 0.000 0.196 252 E C 0.837 177.515 176.600 0.129 0.000 0.993 252 E CA 1.319 57.768 56.400 0.082 0.000 0.819 252 E CB -0.615 29.133 29.700 0.080 0.000 0.745 252 E HN 0.235 nan 8.360 nan 0.000 0.477 253 S N 1.035 116.805 115.700 0.116 0.000 2.368 253 S HA -0.093 4.377 4.470 -0.001 0.000 0.225 253 S C 1.753 176.412 174.600 0.099 0.000 1.030 253 S CA 1.146 59.436 58.200 0.151 0.000 0.999 253 S CB -0.128 63.141 63.200 0.115 0.000 0.844 253 S HN 0.197 nan 8.310 nan 0.000 0.459 254 I N 1.584 122.167 120.570 0.020 0.000 3.564 254 I HA 0.110 4.279 4.170 -0.001 0.000 0.294 254 I C 2.033 178.051 176.117 -0.166 0.000 1.289 254 I CA 0.103 61.350 61.300 -0.088 0.000 1.325 254 I CB -0.523 37.476 38.000 -0.001 0.000 1.039 254 I HN 0.182 nan 8.210 nan 0.000 0.474 255 A N 1.925 124.715 122.820 -0.050 0.000 1.835 255 A HA -0.194 4.126 4.320 -0.001 0.000 0.215 255 A C 2.063 179.657 177.584 0.018 0.000 1.199 255 A CA 1.738 53.780 52.037 0.009 0.000 0.615 255 A CB -1.227 17.837 19.000 0.107 0.000 0.838 255 A HN 0.702 nan 8.150 nan 0.000 0.444 256 W N -0.601 120.727 121.300 0.048 0.000 2.560 256 W HA 0.002 4.662 4.660 -0.001 0.000 0.252 256 W C 0.275 176.818 176.519 0.040 0.000 1.242 256 W CA 0.356 57.734 57.345 0.055 0.000 1.242 256 W CB -0.672 28.816 29.460 0.047 0.000 1.136 256 W HN 0.139 nan 8.180 nan 0.000 0.625 257 L N 1.712 122.552 121.223 -0.639 0.000 2.672 257 L HA 0.041 4.381 4.340 -0.001 0.000 0.236 257 L C 1.855 178.536 176.870 -0.315 0.000 1.186 257 L CA 0.176 54.624 54.840 -0.654 0.000 0.977 257 L CB -1.121 40.475 42.059 -0.770 0.000 1.203 257 L HN 0.017 nan 8.230 nan 0.000 0.448 258 V N 0.256 120.050 119.914 -0.201 0.000 2.423 258 V HA -0.063 4.057 4.120 -0.001 0.000 0.233 258 V C 1.735 177.648 176.094 -0.302 0.000 1.067 258 V CA 1.351 63.485 62.300 -0.278 0.000 1.073 258 V CB 0.211 31.861 31.823 -0.288 0.000 0.715 258 V HN 0.599 nan 8.190 nan 0.000 0.485 259 K N -0.069 120.266 120.400 -0.108 0.000 3.575 259 K HA -0.191 4.129 4.320 -0.001 0.000 0.272 259 K C 0.111 176.768 176.600 0.095 0.000 1.019 259 K CA 1.607 57.937 56.287 0.073 0.000 1.123 259 K CB -0.950 31.562 32.500 0.019 0.000 1.364 259 K HN 0.815 nan 8.250 nan 0.000 0.482 260 D N -2.056 118.206 120.400 -0.231 0.000 2.706 260 D HA 0.308 4.948 4.640 -0.001 0.000 0.227 260 D C 0.009 175.932 176.300 -0.627 0.000 1.233 260 D CA 0.317 54.216 54.000 -0.169 0.000 0.768 260 D CB 1.240 41.969 40.800 -0.118 0.000 1.490 260 D HN -0.041 nan 8.370 nan 0.000 0.458 261 A N 1.666 124.330 122.820 -0.261 0.000 2.121 261 A HA -0.067 4.253 4.320 -0.001 0.000 0.218 261 A C 1.952 179.338 177.584 -0.331 0.000 1.154 261 A CA 1.984 53.866 52.037 -0.258 0.000 0.679 261 A CB -0.481 18.665 19.000 0.243 0.000 0.795 261 A HN 0.631 nan 8.150 nan 0.000 0.458 262 S N -0.497 115.025 115.700 -0.297 0.000 2.489 262 S HA -0.152 4.317 4.470 -0.001 0.000 0.228 262 S C 1.740 176.192 174.600 -0.247 0.000 0.995 262 S CA 0.940 59.026 58.200 -0.191 0.000 0.934 262 S CB -0.363 62.763 63.200 -0.123 0.000 0.771 262 S HN 0.709 nan 8.310 nan 0.000 0.522 263 Q N 0.581 120.103 119.800 -0.463 0.000 2.049 263 Q HA 0.126 4.465 4.340 -0.001 0.000 0.198 263 Q C -0.026 175.850 176.000 -0.206 0.000 0.971 263 Q CA 0.509 56.086 55.803 -0.376 0.000 0.833 263 Q CB -0.477 27.954 28.738 -0.511 0.000 0.896 263 Q HN 0.654 nan 8.270 nan 0.000 0.434 264 F N 1.880 121.753 119.950 -0.128 0.000 2.604 264 F HA -0.038 4.488 4.527 -0.001 0.000 0.393 264 F C 0.293 176.072 175.800 -0.035 0.000 1.043 264 F CA -0.125 57.825 58.000 -0.083 0.000 1.227 264 F CB 0.213 39.148 39.000 -0.107 0.000 1.016 264 F HN -0.130 nan 8.300 nan 0.000 0.556 265 T N 5.747 120.415 114.554 0.191 0.000 2.809 265 T HA 0.361 4.711 4.350 -0.001 0.000 0.284 265 T C -0.430 174.345 174.700 0.125 0.000 0.992 265 T CA -0.624 61.550 62.100 0.124 0.000 0.957 265 T CB 0.863 69.780 68.868 0.081 0.000 0.942 265 T HN 0.232 nan 8.240 nan 0.000 0.439 266 L N 3.491 124.776 121.223 0.102 0.000 2.272 266 L HA 0.582 4.921 4.340 -0.001 0.000 0.289 266 L C 0.376 177.295 176.870 0.082 0.000 1.032 266 L CA -0.151 54.739 54.840 0.085 0.000 0.810 266 L CB 1.335 43.425 42.059 0.053 0.000 1.205 266 L HN 0.628 nan 8.230 nan 0.000 0.422 267 T N 3.532 118.151 114.554 0.108 0.000 2.916 267 T HA 0.634 4.983 4.350 -0.001 0.000 0.298 267 T C -0.887 173.880 174.700 0.112 0.000 1.031 267 T CA -0.438 61.728 62.100 0.111 0.000 0.993 267 T CB 1.470 70.418 68.868 0.134 0.000 1.045 267 T HN 0.339 nan 8.240 nan 0.000 0.454 268 V N 4.226 124.183 119.914 0.072 0.000 2.555 268 V HA 0.637 4.756 4.120 -0.001 0.000 0.302 268 V C -2.096 174.035 176.094 0.062 0.000 1.038 268 V CA -2.259 60.064 62.300 0.039 0.000 0.887 268 V CB 1.374 33.196 31.823 -0.001 0.000 0.991 268 V HN 0.611 nan 8.190 nan 0.000 0.434 269 P HA -0.057 nan 4.420 nan 0.000 0.218 269 P C 1.647 178.975 177.300 0.046 0.000 1.149 269 P CA 2.002 65.154 63.100 0.087 0.000 0.817 269 P CB 0.157 31.910 31.700 0.089 0.000 0.785 270 A N -0.171 122.662 122.820 0.021 0.000 1.873 270 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 270 A C 0.951 178.546 177.584 0.018 0.000 1.193 270 A CA 1.436 53.480 52.037 0.012 0.000 0.629 270 A CB -0.606 18.393 19.000 -0.002 0.000 0.826 270 A HN 0.222 nan 8.150 nan 0.000 0.447 271 R N -1.590 118.923 120.500 0.021 0.000 2.535 271 R HA 0.453 4.792 4.340 -0.001 0.000 0.274 271 R C -3.317 172.999 176.300 0.027 0.000 1.090 271 R CA -1.724 54.389 56.100 0.021 0.000 0.930 271 R CB 1.135 31.444 30.300 0.016 0.000 1.223 271 R HN -0.029 nan 8.270 nan 0.000 0.441 272 P HA 0.153 nan 4.420 nan 0.000 0.276 272 P C -1.054 176.260 177.300 0.023 0.000 1.264 272 P CA 0.043 63.159 63.100 0.027 0.000 0.769 272 P CB 0.637 32.351 31.700 0.024 0.000 0.840 273 D N 2.488 122.903 120.400 0.024 0.000 2.419 273 D HA 0.120 4.759 4.640 -0.001 0.000 0.234 273 D C 1.136 177.449 176.300 0.022 0.000 1.014 273 D CA -0.608 53.405 54.000 0.022 0.000 0.919 273 D CB 1.448 42.261 40.800 0.022 0.000 1.366 273 D HN 0.180 nan 8.370 nan 0.000 0.490 274 K N -0.412 120.000 120.400 0.020 0.000 2.097 274 K HA -0.047 4.273 4.320 -0.001 0.000 0.205 274 K C 0.062 176.675 176.600 0.022 0.000 1.050 274 K CA 1.079 57.378 56.287 0.020 0.000 0.938 274 K CB -0.339 32.172 32.500 0.018 0.000 0.718 274 K HN 0.254 nan 8.250 nan 0.000 0.442 275 T N 2.684 117.253 114.554 0.024 0.000 3.068 275 T HA 0.266 4.615 4.350 -0.001 0.000 0.364 275 T C -0.875 173.843 174.700 0.030 0.000 1.161 275 T CA -0.558 61.559 62.100 0.027 0.000 1.155 275 T CB 0.683 69.567 68.868 0.027 0.000 1.060 275 T HN -0.003 nan 8.240 nan 0.000 0.513 276 L N 5.100 126.343 121.223 0.034 0.000 3.064 276 L HA 0.300 4.640 4.340 -0.001 0.000 0.233 276 L C 0.890 177.787 176.870 0.045 0.000 1.333 276 L CA 0.028 54.891 54.840 0.037 0.000 1.140 276 L CB -0.909 41.173 42.059 0.040 0.000 1.519 276 L HN 0.637 nan 8.230 nan 0.000 0.493 277 T N -1.080 113.501 114.554 0.045 0.000 2.729 277 T HA 0.352 4.702 4.350 -0.001 0.000 0.296 277 T C 0.290 175.027 174.700 0.061 0.000 0.928 277 T CA -0.507 61.625 62.100 0.053 0.000 1.045 277 T CB 1.109 70.005 68.868 0.046 0.000 0.902 277 T HN 0.341 nan 8.240 nan 0.000 0.500 278 I N 3.977 124.594 120.570 0.078 0.000 2.365 278 I HA 0.432 4.601 4.170 -0.001 0.000 0.291 278 I C 1.182 177.362 176.117 0.106 0.000 1.004 278 I CA -1.183 60.170 61.300 0.088 0.000 1.311 278 I CB 1.361 39.424 38.000 0.105 0.000 1.401 278 I HN 0.860 nan 8.210 nan 0.000 0.491 279 R N 6.395 126.949 120.500 0.091 0.000 2.074 279 R HA 0.323 4.662 4.340 -0.001 0.000 0.218 279 R C 0.022 176.386 176.300 0.108 0.000 1.137 279 R CA 0.024 56.177 56.100 0.088 0.000 0.998 279 R CB 0.020 30.359 30.300 0.065 0.000 0.895 279 R HN 0.541 nan 8.270 nan 0.000 0.442 280 K N 0.401 120.855 120.400 0.089 0.000 2.385 280 K HA 0.322 4.641 4.320 -0.001 0.000 0.248 280 K C -1.360 175.311 176.600 0.118 0.000 0.955 280 K CA -0.891 55.433 56.287 0.061 0.000 0.816 280 K CB 2.449 34.924 32.500 -0.041 0.000 1.250 280 K HN 0.244 nan 8.250 nan 0.000 0.434 281 W N -0.030 121.250 121.300 -0.034 0.000 3.033 281 W HA 0.680 5.340 4.660 -0.001 0.000 0.336 281 W C -1.287 175.182 176.519 -0.084 0.000 1.173 281 W CA -0.820 56.487 57.345 -0.063 0.000 1.185 281 W CB 1.469 31.014 29.460 0.141 0.000 1.425 281 W HN 0.646 nan 8.180 nan 0.000 0.536 282 T N 0.910 115.488 114.554 0.040 0.000 2.722 282 T HA 0.523 4.872 4.350 -0.001 0.000 0.314 282 T C -2.491 172.210 174.700 0.002 0.000 1.675 282 T CA -0.501 61.497 62.100 -0.169 0.000 1.003 282 T CB 1.370 70.060 68.868 -0.298 0.000 1.602 282 T HN 0.386 nan 8.240 nan 0.000 0.496 283 L N 2.220 123.431 121.223 -0.020 0.000 2.365 283 L HA 0.665 5.005 4.340 -0.001 0.000 0.273 283 L C -0.355 176.494 176.870 -0.035 0.000 1.000 283 L CA -0.570 54.277 54.840 0.012 0.000 0.819 283 L CB 1.800 43.913 42.059 0.088 0.000 1.284 283 L HN 0.610 nan 8.230 nan 0.000 0.418 284 L N 4.045 125.245 121.223 -0.038 0.000 2.334 284 L HA 0.374 4.713 4.340 -0.001 0.000 0.277 284 L C -1.224 175.644 176.870 -0.004 0.000 1.075 284 L CA -1.577 53.246 54.840 -0.028 0.000 0.804 284 L CB 0.693 42.734 42.059 -0.030 0.000 1.174 284 L HN 0.452 nan 8.230 nan 0.000 0.438 285 P HA -0.116 nan 4.420 nan 0.000 0.216 285 P C 0.745 178.053 177.300 0.014 0.000 1.150 285 P CA 0.595 63.703 63.100 0.012 0.000 0.837 285 P CB 0.047 31.756 31.700 0.014 0.000 0.786 286 G N 0.746 109.553 108.800 0.012 0.000 2.225 286 G HA2 0.278 4.237 3.960 -0.001 0.000 0.245 286 G HA3 0.278 4.237 3.960 -0.001 0.000 0.245 286 G C -0.050 174.858 174.900 0.013 0.000 1.249 286 G CA -0.167 44.941 45.100 0.013 0.000 0.919 286 G HN 0.223 nan 8.290 nan 0.000 0.486 287 V N 0.785 120.709 119.914 0.016 0.000 2.547 287 V HA 0.553 4.672 4.120 -0.001 0.000 0.299 287 V C -0.160 175.945 176.094 0.018 0.000 1.040 287 V CA -1.442 60.869 62.300 0.018 0.000 0.913 287 V CB 2.052 33.889 31.823 0.024 0.000 0.992 287 V HN 0.580 nan 8.190 nan 0.000 0.449 288 D N 3.524 123.935 120.400 0.019 0.000 2.344 288 D HA 0.543 5.182 4.640 -0.001 0.000 0.253 288 D C 1.099 177.413 176.300 0.023 0.000 1.255 288 D CA 0.700 54.713 54.000 0.021 0.000 0.894 288 D CB 1.518 42.333 40.800 0.024 0.000 1.067 288 D HN 0.900 nan 8.370 nan 0.000 0.492 289 A N 4.331 127.163 122.820 0.020 0.000 1.851 289 A HA -0.128 4.191 4.320 -0.001 0.000 0.216 289 A C 2.198 179.794 177.584 0.021 0.000 1.195 289 A CA 1.971 54.020 52.037 0.020 0.000 0.622 289 A CB -1.104 17.906 19.000 0.017 0.000 0.831 289 A HN 0.676 nan 8.150 nan 0.000 0.444 290 A N -0.828 122.004 122.820 0.020 0.000 1.842 290 A HA 0.023 4.343 4.320 -0.001 0.000 0.217 290 A C 1.701 179.300 177.584 0.024 0.000 1.206 290 A CA 2.252 54.301 52.037 0.021 0.000 0.630 290 A CB -1.423 17.588 19.000 0.020 0.000 0.839 290 A HN 1.077 nan 8.150 nan 0.000 0.447 291 T N -1.334 113.237 114.554 0.028 0.000 2.770 291 T HA 0.528 4.877 4.350 -0.001 0.000 0.283 291 T C -0.362 174.360 174.700 0.037 0.000 0.988 291 T CA -0.938 61.182 62.100 0.034 0.000 0.957 291 T CB 0.814 69.705 68.868 0.039 0.000 0.930 291 T HN 0.232 nan 8.240 nan 0.000 0.443 292 R N 3.553 124.077 120.500 0.039 0.000 2.561 292 R HA 0.242 4.581 4.340 -0.001 0.000 0.347 292 R C -0.210 176.115 176.300 0.043 0.000 0.916 292 R CA 0.134 56.258 56.100 0.040 0.000 1.063 292 R CB -1.013 29.314 30.300 0.045 0.000 0.916 292 R HN 0.769 nan 8.270 nan 0.000 0.410 293 T N 3.781 118.355 114.554 0.033 0.000 2.991 293 T HA 0.336 4.685 4.350 -0.001 0.000 0.303 293 T C 0.065 174.769 174.700 0.007 0.000 1.015 293 T CA -0.679 61.434 62.100 0.022 0.000 1.007 293 T CB 1.827 70.711 68.868 0.026 0.000 1.034 293 T HN 0.184 nan 8.240 nan 0.000 0.446 294 L N 2.911 124.128 121.223 -0.009 0.000 2.399 294 L HA 0.430 4.769 4.340 -0.001 0.000 0.266 294 L C 0.330 177.175 176.870 -0.042 0.000 1.114 294 L CA -0.481 54.351 54.840 -0.014 0.000 0.804 294 L CB 1.221 43.277 42.059 -0.004 0.000 1.146 294 L HN 0.682 nan 8.230 nan 0.000 0.451 295 Q N 2.754 122.532 119.800 -0.035 0.000 2.398 295 Q HA 0.293 4.632 4.340 -0.001 0.000 0.251 295 Q C -0.645 175.310 176.000 -0.074 0.000 0.999 295 Q CA -0.415 55.355 55.803 -0.054 0.000 0.874 295 Q CB 1.745 30.463 28.738 -0.034 0.000 1.215 295 Q HN 0.309 nan 8.270 nan 0.000 0.470 296 L N 3.623 124.779 121.223 -0.113 0.000 2.375 296 L HA 0.172 4.511 4.340 -0.001 0.000 0.276 296 L C -0.040 176.730 176.870 -0.167 0.000 1.162 296 L CA 0.027 54.791 54.840 -0.127 0.000 0.991 296 L CB 0.014 41.954 42.059 -0.198 0.000 1.315 296 L HN 0.464 nan 8.230 nan 0.000 0.431 297 R N 4.508 124.903 120.500 -0.175 0.000 2.404 297 R HA 0.211 4.550 4.340 -0.001 0.000 0.315 297 R C -1.116 175.000 176.300 -0.308 0.000 1.032 297 R CA -0.068 55.859 56.100 -0.288 0.000 0.992 297 R CB 0.251 30.288 30.300 -0.438 0.000 0.959 297 R HN 0.676 nan 8.270 nan 0.000 0.428 298 L N 3.249 124.288 121.223 -0.307 0.000 2.334 298 L HA 0.437 4.777 4.340 -0.001 0.000 0.270 298 L C -0.652 176.049 176.870 -0.282 0.000 1.018 298 L CA -0.664 54.021 54.840 -0.258 0.000 0.811 298 L CB 1.762 43.665 42.059 -0.260 0.000 1.271 298 L HN 0.768 nan 8.230 nan 0.000 0.443 299 E N 2.610 122.707 120.200 -0.172 0.000 2.244 299 E HA 0.424 4.774 4.350 -0.001 0.000 0.260 299 E C -2.052 174.569 176.600 0.034 0.000 0.884 299 E CA -0.608 55.749 56.400 -0.072 0.000 0.777 299 E CB 2.082 31.720 29.700 -0.103 0.000 1.197 299 E HN 0.345 nan 8.360 nan 0.000 0.416 300 V N 4.065 124.023 119.914 0.073 0.000 2.417 300 V HA 0.176 4.295 4.120 -0.001 0.000 0.291 300 V C -0.347 175.790 176.094 0.072 0.000 1.024 300 V CA -0.900 61.437 62.300 0.061 0.000 0.861 300 V CB 1.693 33.539 31.823 0.038 0.000 0.985 300 V HN 0.790 nan 8.190 nan 0.000 0.436 301 D N 3.792 124.230 120.400 0.064 0.000 2.533 301 D HA -0.006 4.633 4.640 -0.001 0.000 0.236 301 D C 0.522 176.851 176.300 0.049 0.000 1.137 301 D CA 0.874 54.909 54.000 0.059 0.000 0.867 301 D CB 0.355 41.186 40.800 0.052 0.000 1.170 301 D HN 0.657 nan 8.370 nan 0.000 0.474 302 N N 1.471 120.201 118.700 0.049 0.000 2.622 302 N HA 0.168 4.908 4.740 -0.001 0.000 0.304 302 N C 0.643 176.176 175.510 0.039 0.000 1.844 302 N CA -0.359 52.715 53.050 0.041 0.000 0.886 302 N CB 0.358 38.871 38.487 0.043 0.000 1.366 302 N HN 0.302 nan 8.380 nan 0.000 0.491 303 A N 0.608 123.449 122.820 0.035 0.000 1.851 303 A HA -0.208 4.111 4.320 -0.001 0.000 0.216 303 A C 1.872 179.472 177.584 0.026 0.000 1.195 303 A CA 1.673 53.728 52.037 0.029 0.000 0.622 303 A CB -0.581 18.434 19.000 0.026 0.000 0.831 303 A HN 0.530 nan 8.150 nan 0.000 0.444 304 D N -0.811 119.603 120.400 0.024 0.000 2.133 304 D HA -0.247 4.393 4.640 -0.001 0.000 0.192 304 D C 1.112 177.425 176.300 0.023 0.000 1.001 304 D CA 2.022 56.035 54.000 0.021 0.000 0.844 304 D CB -0.090 40.721 40.800 0.019 0.000 0.944 304 D HN 0.601 nan 8.370 nan 0.000 0.447 305 E N -1.951 118.264 120.200 0.026 0.000 3.687 305 E HA -0.216 4.133 4.350 -0.001 0.000 0.319 305 E C -0.328 176.287 176.600 0.025 0.000 0.821 305 E CA 0.895 57.314 56.400 0.031 0.000 1.195 305 E CB -2.072 27.651 29.700 0.038 0.000 1.605 305 E HN 0.279 nan 8.360 nan 0.000 0.419 306 A N 1.530 124.359 122.820 0.016 0.000 2.416 306 A HA 0.433 4.752 4.320 -0.001 0.000 0.252 306 A C 0.777 178.360 177.584 -0.000 0.000 1.353 306 A CA -0.044 51.999 52.037 0.011 0.000 0.996 306 A CB -0.237 18.769 19.000 0.011 0.000 0.961 306 A HN 0.227 nan 8.150 nan 0.000 0.523 307 L N 0.765 121.982 121.223 -0.009 0.000 2.316 307 L HA 0.401 4.741 4.340 -0.001 0.000 0.280 307 L C -0.664 176.166 176.870 -0.065 0.000 1.006 307 L CA -0.910 53.908 54.840 -0.037 0.000 0.836 307 L CB 1.366 43.398 42.059 -0.045 0.000 1.221 307 L HN 0.043 nan 8.230 nan 0.000 0.418 308 K N 3.225 123.587 120.400 -0.063 0.000 2.183 308 K HA 0.345 4.665 4.320 -0.001 0.000 0.274 308 K C -1.956 174.571 176.600 -0.123 0.000 1.009 308 K CA -2.357 53.886 56.287 -0.075 0.000 0.888 308 K CB 1.436 33.917 32.500 -0.031 0.000 1.078 308 K HN 0.122 nan 8.250 nan 0.000 0.459 309 P HA -0.144 nan 4.420 nan 0.000 0.231 309 P C 0.867 178.100 177.300 -0.111 0.000 1.154 309 P CA 1.028 64.002 63.100 -0.210 0.000 0.762 309 P CB 0.212 31.763 31.700 -0.249 0.000 0.790 310 G N -2.402 106.351 108.800 -0.078 0.000 2.719 310 G HA2 0.070 4.029 3.960 -0.001 0.000 0.211 310 G HA3 0.070 4.029 3.960 -0.001 0.000 0.211 310 G C 0.610 175.467 174.900 -0.072 0.000 1.140 310 G CA -0.128 44.936 45.100 -0.059 0.000 0.790 310 G HN 0.153 nan 8.290 nan 0.000 0.529 311 M N 1.094 120.646 119.600 -0.080 0.000 2.233 311 M HA 0.040 4.519 4.480 -0.001 0.000 0.307 311 M C -0.168 176.059 176.300 -0.121 0.000 1.026 311 M CA 0.404 55.653 55.300 -0.085 0.000 1.109 311 M CB 0.138 32.690 32.600 -0.079 0.000 1.463 311 M HN -0.008 nan 8.290 nan 0.000 0.436 312 N N 0.694 119.308 118.700 -0.143 0.000 2.456 312 N HA 0.690 5.429 4.740 -0.001 0.000 0.296 312 N C -1.295 174.044 175.510 -0.285 0.000 1.102 312 N CA -0.304 52.598 53.050 -0.247 0.000 0.924 312 N CB 1.737 40.064 38.487 -0.267 0.000 1.186 312 N HN 0.688 nan 8.380 nan 0.000 0.492 313 A N 1.372 123.943 122.820 -0.415 0.000 2.427 313 A HA 0.552 4.871 4.320 -0.001 0.000 0.298 313 A C -1.679 175.639 177.584 -0.443 0.000 1.036 313 A CA -0.694 51.155 52.037 -0.312 0.000 0.701 313 A CB 0.741 19.644 19.000 -0.162 0.000 1.250 313 A HN 0.673 nan 8.150 nan 0.000 0.412 314 W N 2.170 123.478 121.300 0.014 0.000 2.391 314 W HA 0.534 5.193 4.660 -0.001 0.000 0.311 314 W C -0.289 176.251 176.519 0.036 0.000 1.087 314 W CA -0.585 56.775 57.345 0.024 0.000 1.209 314 W CB 1.901 31.368 29.460 0.012 0.000 1.273 314 W HN 0.554 nan 8.180 nan 0.000 0.482 315 L N 4.802 126.267 121.223 0.402 0.000 2.277 315 L HA 0.298 4.637 4.340 -0.001 0.000 0.284 315 L C -0.008 177.031 176.870 0.282 0.000 1.028 315 L CA -0.755 54.242 54.840 0.263 0.000 0.835 315 L CB 0.980 43.145 42.059 0.177 0.000 1.215 315 L HN 0.487 nan 8.230 nan 0.000 0.425 316 Q N 4.341 124.262 119.800 0.202 0.000 2.402 316 Q HA 0.265 4.604 4.340 -0.001 0.000 0.238 316 Q C -0.867 175.241 176.000 0.179 0.000 1.126 316 Q CA -0.529 55.365 55.803 0.152 0.000 0.904 316 Q CB 0.605 29.395 28.738 0.086 0.000 1.357 316 Q HN 0.746 nan 8.270 nan 0.000 0.491 317 L N 4.118 125.485 121.223 0.240 0.000 2.418 317 L HA 0.372 4.712 4.340 -0.001 0.000 0.265 317 L C -0.941 176.001 176.870 0.120 0.000 1.143 317 L CA 0.282 55.262 54.840 0.232 0.000 0.809 317 L CB 1.252 43.514 42.059 0.338 0.000 1.124 317 L HN 0.664 nan 8.230 nan 0.000 0.456 318 N N 2.435 121.151 118.700 0.027 0.000 2.399 318 N HA 0.379 5.118 4.740 -0.001 0.000 0.284 318 N C -1.100 174.366 175.510 -0.073 0.000 1.025 318 N CA -0.512 52.525 53.050 -0.020 0.000 0.885 318 N CB 1.637 40.085 38.487 -0.066 0.000 1.339 318 N HN 0.667 nan 8.380 nan 0.000 0.487 319 T N 0.859 115.393 114.554 -0.032 0.000 2.923 319 T HA 0.740 5.089 4.350 -0.001 0.000 0.281 319 T C 0.144 174.700 174.700 -0.240 0.000 0.995 319 T CA -0.495 61.557 62.100 -0.081 0.000 0.985 319 T CB 1.739 70.661 68.868 0.089 0.000 1.114 319 T HN 0.569 nan 8.240 nan 0.000 0.548 320 A N 0.776 123.441 122.820 -0.259 0.000 2.443 320 A HA 0.920 5.240 4.320 -0.001 0.000 0.278 320 A C -0.660 176.761 177.584 -0.272 0.000 1.252 320 A CA -0.735 51.106 52.037 -0.326 0.000 0.816 320 A CB 1.260 20.127 19.000 -0.220 0.000 1.369 320 A HN 1.052 nan 8.150 nan 0.000 0.446 321 S N -0.447 115.124 115.700 -0.215 0.000 2.541 321 S HA 0.516 4.985 4.470 -0.001 0.000 0.271 321 S C -0.765 173.807 174.600 -0.047 0.000 1.133 321 S CA -0.428 57.726 58.200 -0.076 0.000 0.876 321 S CB 1.057 64.232 63.200 -0.042 0.000 1.105 321 S HN 1.132 nan 8.310 nan 0.000 0.470 322 E N 1.354 121.554 120.200 -0.001 0.000 2.652 322 E HA 0.142 4.491 4.350 -0.001 0.000 0.255 322 E C -2.394 174.173 176.600 -0.055 0.000 0.952 322 E CA -0.967 55.426 56.400 -0.012 0.000 0.947 322 E CB -0.873 28.826 29.700 -0.002 0.000 0.912 322 E HN 0.299 nan 8.360 nan 0.000 0.489 323 P HA -0.113 nan 4.420 nan 0.000 0.263 323 P C -0.710 176.545 177.300 -0.074 0.000 1.168 323 P CA 0.889 63.955 63.100 -0.057 0.000 0.759 323 P CB 0.452 32.128 31.700 -0.040 0.000 0.782 324 M N 1.335 120.893 119.600 -0.071 0.000 2.812 324 M HA 0.391 4.871 4.480 -0.001 0.000 0.285 324 M C -0.428 175.848 176.300 -0.041 0.000 1.216 324 M CA -1.109 54.145 55.300 -0.077 0.000 0.749 324 M CB 0.996 33.538 32.600 -0.097 0.000 1.756 324 M HN 0.010 nan 8.290 nan 0.000 0.439 325 L N 2.450 123.657 121.223 -0.027 0.000 2.290 325 L HA 0.389 4.728 4.340 -0.001 0.000 0.284 325 L C -1.099 175.773 176.870 0.004 0.000 1.078 325 L CA -0.385 54.450 54.840 -0.008 0.000 0.815 325 L CB 0.399 42.458 42.059 0.000 0.000 1.162 325 L HN 0.366 nan 8.230 nan 0.000 0.435 326 L N 6.056 127.279 121.223 0.001 0.000 2.316 326 L HA 0.492 4.832 4.340 -0.001 0.000 0.280 326 L C -0.422 176.452 176.870 0.006 0.000 1.006 326 L CA -0.534 54.307 54.840 0.003 0.000 0.836 326 L CB 1.698 43.751 42.059 -0.010 0.000 1.221 326 L HN 0.525 nan 8.230 nan 0.000 0.418 327 I N 2.489 123.066 120.570 0.012 0.000 2.509 327 I HA 0.651 4.820 4.170 -0.001 0.000 0.293 327 I C -2.707 173.414 176.117 0.008 0.000 1.020 327 I CA -2.535 58.771 61.300 0.010 0.000 1.088 327 I CB 1.910 39.918 38.000 0.013 0.000 1.267 327 I HN 0.202 nan 8.210 nan 0.000 0.430 328 P HA 0.133 nan 4.420 nan 0.000 0.268 328 P C 0.498 177.797 177.300 -0.001 0.000 1.204 328 P CA 0.144 63.243 63.100 -0.001 0.000 0.768 328 P CB 1.042 32.740 31.700 -0.003 0.000 0.842 329 S N 2.203 117.902 115.700 -0.001 0.000 2.368 329 S HA -0.204 4.266 4.470 -0.001 0.000 0.225 329 S C 1.687 176.279 174.600 -0.013 0.000 1.030 329 S CA 1.268 59.466 58.200 -0.004 0.000 0.999 329 S CB -0.454 62.745 63.200 -0.002 0.000 0.844 329 S HN 0.496 nan 8.310 nan 0.000 0.459 330 Q N 0.023 119.813 119.800 -0.016 0.000 2.133 330 Q HA -0.174 4.165 4.340 -0.001 0.000 0.208 330 Q C 1.937 177.918 176.000 -0.032 0.000 0.991 330 Q CA 1.615 57.404 55.803 -0.024 0.000 0.867 330 Q CB -0.291 28.433 28.738 -0.022 0.000 0.911 330 Q HN 0.618 nan 8.270 nan 0.000 0.417 331 A N 0.116 122.919 122.820 -0.028 0.000 2.278 331 A HA 0.177 4.496 4.320 -0.001 0.000 0.212 331 A C 0.545 178.109 177.584 -0.034 0.000 1.213 331 A CA -0.153 51.862 52.037 -0.037 0.000 0.840 331 A CB 0.004 18.988 19.000 -0.027 0.000 0.866 331 A HN 0.289 nan 8.150 nan 0.000 0.489 332 L N 0.337 121.544 121.223 -0.026 0.000 2.282 332 L HA 0.686 5.025 4.340 -0.001 0.000 0.288 332 L C -1.181 175.672 176.870 -0.029 0.000 1.033 332 L CA -0.832 53.995 54.840 -0.021 0.000 0.807 332 L CB 1.350 43.405 42.059 -0.007 0.000 1.209 332 L HN 0.157 nan 8.230 nan 0.000 0.423 333 I N 5.874 126.425 120.570 -0.032 0.000 2.498 333 I HA 0.639 4.808 4.170 -0.001 0.000 0.290 333 I C -1.272 174.827 176.117 -0.029 0.000 1.032 333 I CA 0.055 61.332 61.300 -0.038 0.000 1.073 333 I CB 1.584 39.550 38.000 -0.057 0.000 1.251 333 I HN 0.817 nan 8.210 nan 0.000 0.426 334 D N 3.250 123.633 120.400 -0.028 0.000 2.912 334 D HA 0.159 4.798 4.640 -0.001 0.000 0.263 334 D C -1.164 175.121 176.300 -0.024 0.000 1.152 334 D CA 0.054 54.040 54.000 -0.023 0.000 0.728 334 D CB 1.240 42.030 40.800 -0.017 0.000 1.337 334 D HN 0.469 nan 8.370 nan 0.000 0.435 335 T N -1.897 112.643 114.554 -0.022 0.000 3.328 335 T HA 0.508 4.857 4.350 -0.001 0.000 0.297 335 T C 0.623 175.311 174.700 -0.019 0.000 0.882 335 T CA 0.445 62.532 62.100 -0.022 0.000 0.906 335 T CB 0.499 69.353 68.868 -0.023 0.000 1.210 335 T HN 0.732 nan 8.240 nan 0.000 0.631 336 G N 1.465 110.255 108.800 -0.017 0.000 3.247 336 G HA2 0.512 4.472 3.960 -0.001 0.000 0.199 336 G HA3 0.512 4.472 3.960 -0.001 0.000 0.199 336 G C 0.895 175.788 174.900 -0.012 0.000 1.172 336 G CA 0.222 45.313 45.100 -0.015 0.000 0.844 336 G HN 0.285 nan 8.290 nan 0.000 0.619 337 S N -0.158 115.536 115.700 -0.010 0.000 2.446 337 S HA -0.021 4.448 4.470 -0.001 0.000 0.225 337 S C 0.978 175.575 174.600 -0.005 0.000 1.016 337 S CA 1.172 59.368 58.200 -0.007 0.000 0.943 337 S CB -0.450 62.746 63.200 -0.005 0.000 0.786 337 S HN 0.676 nan 8.310 nan 0.000 0.508 338 E N 1.869 122.066 120.200 -0.006 0.000 2.558 338 E HA -0.018 4.331 4.350 -0.001 0.000 0.255 338 E C -0.766 175.831 176.600 -0.006 0.000 0.968 338 E CA 0.312 56.709 56.400 -0.005 0.000 0.939 338 E CB 0.171 29.866 29.700 -0.008 0.000 0.921 338 E HN 0.375 nan 8.360 nan 0.000 0.477 339 Q N 3.061 122.860 119.800 -0.001 0.000 3.230 339 Q HA 0.272 4.611 4.340 -0.001 0.000 0.303 339 Q C -0.751 175.251 176.000 0.004 0.000 0.884 339 Q CA -0.307 55.496 55.803 0.001 0.000 0.859 339 Q CB 0.795 29.536 28.738 0.006 0.000 1.432 339 Q HN 0.608 nan 8.270 nan 0.000 0.403 340 R N -1.672 118.827 120.500 -0.001 0.000 3.034 340 R HA 0.782 5.122 4.340 -0.001 0.000 0.264 340 R C -0.454 175.841 176.300 -0.007 0.000 1.030 340 R CA -0.675 55.426 56.100 0.002 0.000 0.903 340 R CB 0.511 30.816 30.300 0.007 0.000 1.414 340 R HN -0.046 nan 8.270 nan 0.000 0.429 341 V N -0.569 119.343 119.914 -0.003 0.000 3.076 341 V HA 0.484 4.604 4.120 -0.001 0.000 0.311 341 V C -0.799 175.296 176.094 0.002 0.000 1.461 341 V CA -1.109 61.181 62.300 -0.016 0.000 1.029 341 V CB 1.316 33.129 31.823 -0.016 0.000 1.061 341 V HN 0.514 nan 8.190 nan 0.000 0.474 342 I N 1.589 122.156 120.570 -0.004 0.000 2.471 342 I HA 0.347 4.517 4.170 -0.001 0.000 0.286 342 I C 0.296 176.458 176.117 0.075 0.000 1.079 342 I CA 0.682 62.007 61.300 0.041 0.000 1.398 342 I CB 0.271 38.277 38.000 0.011 0.000 1.403 342 I HN 0.639 nan 8.210 nan 0.000 0.530 343 T N 6.336 120.954 114.554 0.108 0.000 2.758 343 T HA 0.515 4.865 4.350 -0.001 0.000 0.285 343 T C 0.037 174.823 174.700 0.144 0.000 0.981 343 T CA -0.417 61.743 62.100 0.100 0.000 0.965 343 T CB 1.619 70.531 68.868 0.072 0.000 0.927 343 T HN 0.256 nan 8.240 nan 0.000 0.448 344 V N 3.331 123.324 119.914 0.132 0.000 2.483 344 V HA 0.289 4.409 4.120 -0.001 0.000 0.295 344 V C 0.198 176.336 176.094 0.073 0.000 1.035 344 V CA -0.683 61.703 62.300 0.144 0.000 0.896 344 V CB 1.796 33.723 31.823 0.174 0.000 0.986 344 V HN 0.819 nan 8.190 nan 0.000 0.447 345 D N 3.205 123.629 120.400 0.041 0.000 2.349 345 D HA 0.324 4.963 4.640 -0.001 0.000 0.215 345 D C 1.553 177.858 176.300 0.009 0.000 1.016 345 D CA 0.915 54.924 54.000 0.015 0.000 0.870 345 D CB 0.333 41.129 40.800 -0.008 0.000 0.917 345 D HN 0.863 nan 8.370 nan 0.000 0.524 346 A N 0.534 123.364 122.820 0.017 0.000 3.661 346 A HA -0.270 4.049 4.320 -0.001 0.000 0.269 346 A C 0.923 178.498 177.584 -0.015 0.000 1.056 346 A CA 1.580 53.623 52.037 0.011 0.000 1.159 346 A CB -1.932 17.075 19.000 0.011 0.000 1.105 346 A HN 0.255 nan 8.150 nan 0.000 0.907 347 D N -0.442 119.937 120.400 -0.034 0.000 2.336 347 D HA 0.388 5.027 4.640 -0.001 0.000 0.229 347 D C 1.580 177.819 176.300 -0.102 0.000 1.061 347 D CA 1.741 55.706 54.000 -0.057 0.000 0.875 347 D CB -0.244 40.522 40.800 -0.056 0.000 0.904 347 D HN 1.708 nan 8.370 nan 0.000 0.525 348 G N 1.344 110.073 108.800 -0.117 0.000 2.159 348 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.256 348 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.256 348 G C 0.244 174.851 174.900 -0.489 0.000 0.977 348 G CA -0.018 44.956 45.100 -0.209 0.000 0.652 348 G HN 0.474 nan 8.290 nan 0.000 0.531 349 R N -0.398 119.862 120.500 -0.400 0.000 2.445 349 R HA 0.720 5.060 4.340 -0.001 0.000 0.308 349 R C -0.721 175.372 176.300 -0.346 0.000 0.961 349 R CA -0.875 54.930 56.100 -0.492 0.000 0.862 349 R CB 1.062 31.225 30.300 -0.228 0.000 1.144 349 R HN 0.057 nan 8.270 nan 0.000 0.447 350 F N 1.427 121.401 119.950 0.040 0.000 2.403 350 F HA 0.669 5.195 4.527 -0.001 0.000 0.326 350 F C 0.391 176.228 175.800 0.061 0.000 1.081 350 F CA -1.203 56.843 58.000 0.077 0.000 1.041 350 F CB 1.410 40.506 39.000 0.159 0.000 1.234 350 F HN 0.325 nan 8.300 nan 0.000 0.503 351 V N 1.850 121.910 119.914 0.245 0.000 3.000 351 V HA 0.515 4.634 4.120 -0.001 0.000 0.300 351 V C -2.839 173.318 176.094 0.105 0.000 1.251 351 V CA -2.196 60.187 62.300 0.138 0.000 0.972 351 V CB 2.719 34.593 31.823 0.085 0.000 1.065 351 V HN 0.499 nan 8.190 nan 0.000 0.431 352 P HA 0.355 nan 4.420 nan 0.000 0.277 352 P C -1.179 176.144 177.300 0.040 0.000 1.354 352 P CA -0.053 63.077 63.100 0.050 0.000 0.891 352 P CB 0.151 31.875 31.700 0.040 0.000 1.058 353 K N 3.420 123.842 120.400 0.037 0.000 2.235 353 K HA 0.324 4.644 4.320 -0.001 0.000 0.266 353 K C 0.234 176.848 176.600 0.023 0.000 0.980 353 K CA -0.748 55.557 56.287 0.030 0.000 0.849 353 K CB 2.036 34.555 32.500 0.033 0.000 1.098 353 K HN 0.328 nan 8.250 nan 0.000 0.445 354 R N 1.627 122.139 120.500 0.020 0.000 2.490 354 R HA 0.305 4.644 4.340 -0.001 0.000 0.280 354 R C -0.178 176.133 176.300 0.018 0.000 1.077 354 R CA -0.327 55.783 56.100 0.017 0.000 1.065 354 R CB 0.633 30.942 30.300 0.015 0.000 1.003 354 R HN 0.437 nan 8.270 nan 0.000 0.470 355 V N -0.317 119.608 119.914 0.018 0.000 3.114 355 V HA 0.882 5.001 4.120 -0.001 0.000 0.308 355 V C -1.232 174.877 176.094 0.025 0.000 1.168 355 V CA -1.108 61.205 62.300 0.023 0.000 1.015 355 V CB 1.920 33.757 31.823 0.023 0.000 1.050 355 V HN 0.864 nan 8.190 nan 0.000 0.433 356 A N 2.066 124.907 122.820 0.034 0.000 2.331 356 A HA 0.898 5.218 4.320 -0.001 0.000 0.320 356 A C -0.223 177.399 177.584 0.063 0.000 1.138 356 A CA -0.292 51.770 52.037 0.042 0.000 0.790 356 A CB 1.488 20.515 19.000 0.045 0.000 1.206 356 A HN 2.260 nan 8.150 nan 0.000 0.470 357 V N 0.580 120.529 119.914 0.059 0.000 2.686 357 V HA 0.625 4.744 4.120 -0.001 0.000 0.295 357 V C 0.595 176.767 176.094 0.129 0.000 1.057 357 V CA -0.102 62.248 62.300 0.083 0.000 1.012 357 V CB 1.004 32.853 31.823 0.045 0.000 1.006 357 V HN 0.953 nan 8.190 nan 0.000 0.477 358 F N 2.202 122.162 119.950 0.017 0.000 2.399 358 F HA 0.358 4.884 4.527 -0.001 0.000 0.282 358 F C 0.889 176.703 175.800 0.024 0.000 1.027 358 F CA 1.232 59.245 58.000 0.022 0.000 1.333 358 F CB 0.379 39.398 39.000 0.031 0.000 1.132 358 F HN 0.850 nan 8.300 nan 0.000 0.590 359 Q N -0.035 119.833 119.800 0.113 0.000 2.804 359 Q HA 0.629 4.968 4.340 -0.001 0.000 0.302 359 Q C -2.028 174.033 176.000 0.102 0.000 0.885 359 Q CA -0.967 54.837 55.803 0.002 0.000 0.759 359 Q CB 1.554 30.251 28.738 -0.068 0.000 1.465 359 Q HN 0.197 nan 8.270 nan 0.000 0.432 360 A N 0.479 123.339 122.820 0.066 0.000 2.479 360 A HA 0.952 5.271 4.320 -0.001 0.000 0.296 360 A C -0.963 176.684 177.584 0.106 0.000 1.121 360 A CA -0.004 52.078 52.037 0.076 0.000 0.743 360 A CB 2.200 21.218 19.000 0.030 0.000 1.323 360 A HN 1.141 nan 8.150 nan 0.000 0.415 361 S N -0.389 115.374 115.700 0.105 0.000 2.675 361 S HA 0.381 4.850 4.470 -0.001 0.000 0.297 361 S C -0.311 174.336 174.600 0.079 0.000 1.035 361 S CA 0.578 58.859 58.200 0.135 0.000 0.852 361 S CB 0.944 64.336 63.200 0.319 0.000 1.051 361 S HN 1.809 nan 8.310 nan 0.000 0.451 362 Q N 1.973 121.810 119.800 0.060 0.000 2.377 362 Q HA -0.213 4.127 4.340 -0.001 0.000 0.234 362 Q C 0.927 176.933 176.000 0.010 0.000 0.847 362 Q CA 2.853 58.672 55.803 0.027 0.000 1.280 362 Q CB -1.502 27.247 28.738 0.018 0.000 1.717 362 Q HN 2.408 nan 8.270 nan 0.000 0.579 363 G N -3.248 105.560 108.800 0.013 0.000 2.192 363 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.193 363 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.193 363 G C 0.023 174.926 174.900 0.005 0.000 0.999 363 G CA 0.039 45.141 45.100 0.003 0.000 0.659 363 G HN 1.323 nan 8.290 nan 0.000 0.503 364 V N -2.196 117.726 119.914 0.014 0.000 3.156 364 V HA 1.023 5.142 4.120 -0.001 0.000 0.310 364 V C -0.093 176.022 176.094 0.034 0.000 1.234 364 V CA 0.412 62.721 62.300 0.015 0.000 1.065 364 V CB 1.693 33.520 31.823 0.007 0.000 1.088 364 V HN 1.549 nan 8.190 nan 0.000 0.451 365 T N -1.296 113.280 114.554 0.037 0.000 2.896 365 T HA 0.912 5.261 4.350 -0.001 0.000 0.297 365 T C -0.497 174.246 174.700 0.071 0.000 1.108 365 T CA -0.200 61.936 62.100 0.060 0.000 1.004 365 T CB 1.627 70.523 68.868 0.048 0.000 1.159 365 T HN 2.274 nan 8.240 nan 0.000 0.499 366 A N 1.911 124.801 122.820 0.117 0.000 2.365 366 A HA 0.765 5.084 4.320 -0.001 0.000 0.318 366 A C -1.364 176.312 177.584 0.152 0.000 1.091 366 A CA -0.812 51.296 52.037 0.118 0.000 0.763 366 A CB 1.026 20.109 19.000 0.139 0.000 1.248 366 A HN 0.678 nan 8.150 nan 0.000 0.442 367 L N 2.308 123.587 121.223 0.094 0.000 2.294 367 L HA 0.469 4.808 4.340 -0.001 0.000 0.283 367 L C 0.492 177.407 176.870 0.076 0.000 1.015 367 L CA -0.375 54.519 54.840 0.091 0.000 0.831 367 L CB 1.157 43.247 42.059 0.052 0.000 1.217 367 L HN 0.707 nan 8.230 nan 0.000 0.420 368 R N 2.983 123.563 120.500 0.134 0.000 3.268 368 R HA 0.465 4.804 4.340 -0.001 0.000 0.217 368 R C -0.827 175.512 176.300 0.065 0.000 1.568 368 R CA -0.112 56.046 56.100 0.096 0.000 1.322 368 R CB -1.092 29.346 30.300 0.231 0.000 1.280 368 R HN 0.659 nan 8.270 nan 0.000 0.667 369 S N -0.304 115.416 115.700 0.033 0.000 2.815 369 S HA 0.124 4.593 4.470 -0.001 0.000 0.857 369 S C 0.339 174.957 174.600 0.030 0.000 0.862 369 S CA 0.236 58.452 58.200 0.026 0.000 1.494 369 S CB -1.172 62.045 63.200 0.029 0.000 1.073 369 S HN 0.837 nan 8.310 nan 0.000 0.247 370 G N 2.329 111.142 108.800 0.022 0.000 2.556 370 G HA2 0.331 4.290 3.960 -0.001 0.000 0.114 370 G HA3 0.331 4.290 3.960 -0.001 0.000 0.114 370 G C -0.647 174.264 174.900 0.019 0.000 0.956 370 G CA -0.161 44.953 45.100 0.022 0.000 1.263 370 G HN 0.733 nan 8.290 nan 0.000 0.486 371 L N 1.315 122.549 121.223 0.018 0.000 2.440 371 L HA 0.774 5.114 4.340 -0.001 0.000 0.262 371 L C 1.027 177.905 176.870 0.013 0.000 1.072 371 L CA -0.568 54.282 54.840 0.017 0.000 0.798 371 L CB 1.434 43.504 42.059 0.019 0.000 1.307 371 L HN 0.584 nan 8.230 nan 0.000 0.475 372 A N -0.132 122.696 122.820 0.013 0.000 2.246 372 A HA 0.198 4.518 4.320 -0.001 0.000 0.291 372 A C 0.861 178.450 177.584 0.008 0.000 1.103 372 A CA -0.201 51.842 52.037 0.010 0.000 0.844 372 A CB 0.684 19.691 19.000 0.010 0.000 1.136 372 A HN 0.863 nan 8.150 nan 0.000 0.500 373 E N 0.140 120.343 120.200 0.005 0.000 2.028 373 E HA -0.041 4.308 4.350 -0.001 0.000 0.190 373 E C 1.612 178.215 176.600 0.005 0.000 0.984 373 E CA 1.352 57.754 56.400 0.003 0.000 0.800 373 E CB -0.365 29.334 29.700 -0.001 0.000 0.758 373 E HN 0.743 nan 8.360 nan 0.000 0.448 374 G N 0.222 109.025 108.800 0.006 0.000 2.777 374 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.211 374 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.211 374 G C 0.285 175.193 174.900 0.013 0.000 1.149 374 G CA -0.229 44.875 45.100 0.008 0.000 0.785 374 G HN 0.270 nan 8.290 nan 0.000 0.536 375 E N 0.680 120.889 120.200 0.015 0.000 2.508 375 E HA 0.053 4.403 4.350 -0.001 0.000 0.266 375 E C 0.088 176.704 176.600 0.026 0.000 1.010 375 E CA 0.474 56.887 56.400 0.022 0.000 0.955 375 E CB 0.444 30.157 29.700 0.023 0.000 0.946 375 E HN -0.084 nan 8.360 nan 0.000 0.454 376 K N 2.244 122.666 120.400 0.036 0.000 2.159 376 K HA 0.433 4.753 4.320 -0.001 0.000 0.266 376 K C -0.831 175.801 176.600 0.054 0.000 0.975 376 K CA -0.554 55.759 56.287 0.043 0.000 0.865 376 K CB 1.894 34.423 32.500 0.049 0.000 1.087 376 K HN 0.330 nan 8.250 nan 0.000 0.446 377 V N 1.565 121.508 119.914 0.047 0.000 3.167 377 V HA 0.540 4.660 4.120 -0.001 0.000 0.310 377 V C -1.565 174.553 176.094 0.041 0.000 1.207 377 V CA -0.847 61.480 62.300 0.046 0.000 1.059 377 V CB 2.459 34.299 31.823 0.028 0.000 1.079 377 V HN 0.410 nan 8.190 nan 0.000 0.446 378 V N 3.572 123.500 119.914 0.025 0.000 2.357 378 V HA 0.690 4.809 4.120 -0.001 0.000 0.281 378 V C -0.022 176.065 176.094 -0.011 0.000 1.015 378 V CA 0.406 62.716 62.300 0.017 0.000 0.827 378 V CB 1.390 33.227 31.823 0.024 0.000 1.018 378 V HN 1.312 nan 8.190 nan 0.000 0.432 379 S N 4.750 120.448 115.700 -0.004 0.000 2.617 379 S HA 0.547 5.017 4.470 -0.001 0.000 0.269 379 S C 0.869 175.462 174.600 -0.011 0.000 1.292 379 S CA 0.460 58.651 58.200 -0.015 0.000 1.010 379 S CB 1.461 64.656 63.200 -0.008 0.000 0.944 379 S HN 1.807 nan 8.310 nan 0.000 0.536 380 S N -0.181 115.506 115.700 -0.020 0.000 2.981 380 S HA -0.136 4.333 4.470 -0.001 0.000 0.274 380 S C 0.808 175.402 174.600 -0.010 0.000 1.297 380 S CA 1.124 59.316 58.200 -0.013 0.000 1.266 380 S CB -2.143 61.057 63.200 0.000 0.000 1.542 380 S HN 1.554 nan 8.310 nan 0.000 0.674 381 G N 0.915 109.702 108.800 -0.022 0.000 2.432 381 G HA2 0.420 4.379 3.960 -0.001 0.000 0.239 381 G HA3 0.420 4.379 3.960 -0.001 0.000 0.239 381 G C -0.284 174.570 174.900 -0.076 0.000 1.291 381 G CA 0.105 45.202 45.100 -0.006 0.000 0.863 381 G HN 1.023 nan 8.290 nan 0.000 0.560 382 L N 0.612 121.855 121.223 0.033 0.000 2.541 382 L HA 0.845 5.184 4.340 -0.001 0.000 0.266 382 L C -0.889 176.093 176.870 0.186 0.000 0.966 382 L CA -1.158 53.666 54.840 -0.026 0.000 0.871 382 L CB 1.052 43.117 42.059 0.010 0.000 1.232 382 L HN 0.609 nan 8.230 nan 0.000 0.408 383 F N 1.598 121.500 119.950 -0.080 0.000 2.926 383 F HA 0.850 5.376 4.527 -0.001 0.000 0.321 383 F C -1.224 174.550 175.800 -0.043 0.000 1.168 383 F CA -1.359 56.608 58.000 -0.054 0.000 0.890 383 F CB 0.672 39.641 39.000 -0.052 0.000 1.357 383 F HN 0.474 nan 8.300 nan 0.000 0.468 384 L N 0.726 122.051 121.223 0.171 0.000 2.585 384 L HA 0.728 5.067 4.340 -0.001 0.000 0.260 384 L C 0.347 177.286 176.870 0.114 0.000 1.085 384 L CA -1.591 53.289 54.840 0.067 0.000 0.913 384 L CB -0.282 41.811 42.059 0.056 0.000 1.638 384 L HN 0.700 nan 8.230 nan 0.000 0.531 385 I N 0.000 120.610 120.570 0.067 0.000 2.984 385 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 385 I CA 0.000 61.345 61.300 0.074 0.000 1.566 385 I CB 0.000 38.029 38.000 0.048 0.000 1.214 385 I HN 0.000 nan 8.210 nan 0.000 0.494