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 3h94_1_A 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 0.000 174.794 174.700 0.157 0.000 1.109 89 T CA 0.000 62.133 62.100 0.054 0.000 1.349 89 T CB 0.000 68.894 68.868 0.043 0.000 0.612 90 Q N 1.251 121.116 119.800 0.108 0.000 3.342 90 Q HA 0.306 4.647 4.340 0.002 0.000 0.186 90 Q C -1.066 175.014 176.000 0.133 0.000 0.790 90 Q CA -0.433 55.475 55.803 0.176 0.000 1.117 90 Q CB 0.029 28.635 28.738 -0.220 0.000 1.585 90 Q HN 0.561 nan 8.270 nan 0.000 0.546 91 N N 1.981 120.773 118.700 0.154 0.000 2.482 91 N HA 0.156 4.897 4.740 0.002 0.000 0.260 91 N C -0.211 175.364 175.510 0.108 0.000 1.236 91 N CA -0.394 52.714 53.050 0.096 0.000 0.938 91 N CB 0.851 39.386 38.487 0.080 0.000 1.128 91 N HN 0.586 nan 8.380 nan 0.000 0.448 92 L N 1.768 123.035 121.223 0.074 0.000 2.516 92 L HA 0.168 4.509 4.340 0.002 0.000 0.288 92 L C 1.233 178.143 176.870 0.067 0.000 1.246 92 L CA 1.872 56.754 54.840 0.069 0.000 0.844 92 L CB -0.054 42.032 42.059 0.046 0.000 1.106 92 L HN 0.945 nan 8.230 nan 0.000 0.509 93 G N 2.987 111.824 108.800 0.061 0.000 3.288 93 G HA2 -0.066 3.895 3.960 0.002 0.000 0.219 93 G HA3 -0.066 3.895 3.960 0.002 0.000 0.219 93 G C -0.119 174.809 174.900 0.047 0.000 0.944 93 G CA 0.033 45.163 45.100 0.051 0.000 0.854 93 G HN 0.538 nan 8.290 nan 0.000 0.632 94 V N 0.635 120.580 119.914 0.052 0.000 3.432 94 V HA 0.527 4.648 4.120 0.002 0.000 0.304 94 V C 0.594 176.702 176.094 0.023 0.000 1.107 94 V CA 0.946 63.268 62.300 0.037 0.000 1.153 94 V CB 1.553 33.398 31.823 0.036 0.000 1.072 94 V HN 0.578 nan 8.190 nan 0.000 0.485 95 K N 0.044 120.450 120.400 0.010 0.000 2.556 95 K HA 0.621 4.942 4.320 0.002 0.000 0.274 95 K C -1.057 175.540 176.600 -0.004 0.000 0.966 95 K CA -0.445 55.846 56.287 0.006 0.000 0.865 95 K CB 2.340 34.843 32.500 0.006 0.000 1.444 95 K HN 0.798 nan 8.250 nan 0.000 0.433 96 T N 0.413 114.966 114.554 -0.002 0.000 2.883 96 T HA 0.876 5.227 4.350 0.002 0.000 0.296 96 T C -1.777 172.920 174.700 -0.004 0.000 1.117 96 T CA -0.241 61.855 62.100 -0.007 0.000 1.006 96 T CB 1.561 70.428 68.868 -0.002 0.000 1.191 96 T HN 0.779 nan 8.240 nan 0.000 0.508 97 A N 1.170 123.987 122.820 -0.006 0.000 2.566 97 A HA 0.834 5.155 4.320 0.002 0.000 0.292 97 A C -0.551 177.032 177.584 -0.001 0.000 1.112 97 A CA -0.681 51.354 52.037 -0.003 0.000 0.707 97 A CB 1.875 20.873 19.000 -0.003 0.000 1.302 97 A HN 0.900 nan 8.150 nan 0.000 0.409 98 T N 0.332 114.887 114.554 0.001 0.000 2.879 98 T HA 0.520 4.871 4.350 0.002 0.000 0.290 98 T C -0.616 174.085 174.700 0.002 0.000 0.993 98 T CA -0.329 61.773 62.100 0.003 0.000 0.975 98 T CB 0.654 69.524 68.868 0.004 0.000 0.981 98 T HN 0.954 nan 8.240 nan 0.000 0.439 99 V N 6.068 125.985 119.914 0.004 0.000 2.694 99 V HA 0.323 4.444 4.120 0.002 0.000 0.306 99 V C 1.009 177.104 176.094 0.001 0.000 1.054 99 V CA 0.377 62.679 62.300 0.004 0.000 1.161 99 V CB 0.403 32.229 31.823 0.006 0.000 0.916 99 V HN 1.101 nan 8.190 nan 0.000 0.490 100 T N 3.090 117.643 114.554 -0.002 0.000 2.906 100 T HA 0.612 4.963 4.350 0.002 0.000 0.295 100 T C -0.580 174.114 174.700 -0.010 0.000 1.075 100 T CA -1.020 61.077 62.100 -0.005 0.000 1.005 100 T CB 1.918 70.783 68.868 -0.006 0.000 1.136 100 T HN 0.655 nan 8.240 nan 0.000 0.498 101 R N 0.172 120.664 120.500 -0.014 0.000 2.294 101 R HA 0.682 5.023 4.340 0.002 0.000 0.319 101 R C -0.250 176.034 176.300 -0.027 0.000 0.984 101 R CA -0.244 55.843 56.100 -0.021 0.000 0.861 101 R CB 0.535 30.822 30.300 -0.021 0.000 1.104 101 R HN 1.082 nan 8.270 nan 0.000 0.451 102 G N 4.077 112.856 108.800 -0.036 0.000 2.576 102 G HA2 0.369 4.330 3.960 0.002 0.000 0.290 102 G HA3 0.369 4.330 3.960 0.002 0.000 0.290 102 G C -3.097 171.765 174.900 -0.064 0.000 1.442 102 G CA -1.063 44.010 45.100 -0.045 0.000 0.792 102 G HN 0.456 nan 8.290 nan 0.000 0.491 103 P HA 0.471 nan 4.420 nan 0.000 0.274 103 P C -0.579 176.650 177.300 -0.119 0.000 1.256 103 P CA -0.428 62.600 63.100 -0.120 0.000 0.795 103 P CB 1.551 33.174 31.700 -0.128 0.000 1.038 104 L N 0.421 121.538 121.223 -0.178 0.000 2.342 104 L HA 0.445 4.786 4.340 0.002 0.000 0.271 104 L C 0.405 177.122 176.870 -0.254 0.000 1.008 104 L CA -0.578 54.200 54.840 -0.103 0.000 0.818 104 L CB 2.044 44.145 42.059 0.069 0.000 1.296 104 L HN 0.417 nan 8.230 nan 0.000 0.427 105 T N -0.874 113.635 114.554 -0.075 0.000 2.767 105 T HA 0.557 4.908 4.350 0.002 0.000 0.284 105 T C -0.642 174.173 174.700 0.192 0.000 0.973 105 T CA -0.521 61.527 62.100 -0.087 0.000 0.996 105 T CB 0.583 69.429 68.868 -0.036 0.000 0.927 105 T HN 0.064 nan 8.240 nan 0.000 0.456 106 F N 1.756 121.682 119.950 -0.040 0.000 2.411 106 F HA 0.675 5.203 4.527 0.002 0.000 0.352 106 F C 0.524 176.305 175.800 -0.032 0.000 1.123 106 F CA -2.294 55.686 58.000 -0.034 0.000 1.044 106 F CB 0.876 39.856 39.000 -0.034 0.000 1.135 106 F HN 0.875 nan 8.300 nan 0.000 0.461 107 A N 3.971 126.886 122.820 0.158 0.000 2.290 107 A HA 0.659 4.980 4.320 0.002 0.000 0.310 107 A C -0.407 177.203 177.584 0.044 0.000 1.202 107 A CA -0.417 51.667 52.037 0.078 0.000 0.837 107 A CB 0.859 19.883 19.000 0.040 0.000 1.139 107 A HN 0.794 nan 8.150 nan 0.000 0.509 108 Q N 0.682 120.518 119.800 0.059 0.000 2.451 108 Q HA 0.638 4.979 4.340 0.002 0.000 0.281 108 Q C -1.035 174.929 176.000 -0.061 0.000 1.099 108 Q CA -0.473 55.312 55.803 -0.031 0.000 0.806 108 Q CB 2.300 31.073 28.738 0.057 0.000 1.419 108 Q HN 0.710 nan 8.270 nan 0.000 0.427 109 S N 1.555 117.065 115.700 -0.316 0.000 2.502 109 S HA 0.761 5.232 4.470 0.002 0.000 0.304 109 S C -1.656 172.727 174.600 -0.363 0.000 1.097 109 S CA -0.385 57.716 58.200 -0.165 0.000 1.045 109 S CB 0.378 63.489 63.200 -0.148 0.000 1.019 109 S HN 0.439 nan 8.310 nan 0.000 0.481 110 F N 4.131 124.243 119.950 0.270 0.000 2.593 110 F HA 0.625 5.153 4.527 0.002 0.000 0.320 110 F C -2.324 173.620 175.800 0.241 0.000 1.060 110 F CA -2.084 56.062 58.000 0.243 0.000 0.940 110 F CB 2.294 41.360 39.000 0.109 0.000 1.268 110 F HN 0.305 nan 8.300 nan 0.000 0.475 111 P HA 0.432 nan 4.420 nan 0.000 0.303 111 P C -1.437 175.740 177.300 -0.204 0.000 1.370 111 P CA -0.280 62.603 63.100 -0.361 0.000 0.854 111 P CB 1.513 32.919 31.700 -0.490 0.000 0.946 112 A N 4.350 127.029 122.820 -0.235 0.000 2.295 112 A HA 0.630 4.951 4.320 0.002 0.000 0.318 112 A C -0.143 177.346 177.584 -0.159 0.000 1.134 112 A CA -0.478 51.473 52.037 -0.144 0.000 0.827 112 A CB 0.210 19.152 19.000 -0.096 0.000 1.136 112 A HN 0.475 nan 8.150 nan 0.000 0.493 113 N N -0.106 118.537 118.700 -0.095 0.000 2.362 113 N HA 0.506 5.247 4.740 0.002 0.000 0.298 113 N C -1.106 174.377 175.510 -0.045 0.000 1.048 113 N CA -0.386 52.617 53.050 -0.079 0.000 0.858 113 N CB 1.853 40.308 38.487 -0.054 0.000 1.218 113 N HN 0.283 nan 8.380 nan 0.000 0.488 114 V N 1.018 120.896 119.914 -0.060 0.000 2.407 114 V HA 0.572 4.693 4.120 0.002 0.000 0.278 114 V C 0.193 176.249 176.094 -0.063 0.000 1.037 114 V CA -0.278 61.993 62.300 -0.048 0.000 0.900 114 V CB 1.045 32.822 31.823 -0.076 0.000 0.983 114 V HN 0.735 nan 8.190 nan 0.000 0.459 115 S N 4.519 120.213 115.700 -0.010 0.000 2.569 115 S HA 0.618 5.089 4.470 0.002 0.000 0.280 115 S C -1.126 173.425 174.600 -0.082 0.000 1.111 115 S CA -0.610 57.567 58.200 -0.039 0.000 0.887 115 S CB 1.337 64.583 63.200 0.077 0.000 1.095 115 S HN 0.529 nan 8.310 nan 0.000 0.476 116 Y N 2.978 123.176 120.300 -0.171 0.000 2.359 116 Y HA 0.200 4.751 4.550 0.002 0.000 0.330 116 Y C 0.952 176.467 175.900 -0.642 0.000 1.143 116 Y CA -0.705 57.208 58.100 -0.313 0.000 1.318 116 Y CB 0.796 39.122 38.460 -0.223 0.000 1.234 116 Y HN 0.748 nan 8.280 nan 0.000 0.522 117 N N 1.931 120.131 118.700 -0.833 0.000 2.520 117 N HA 0.003 4.744 4.740 0.002 0.000 0.273 117 N C 0.028 174.919 175.510 -1.031 0.000 1.155 117 N CA -0.280 51.726 53.050 -1.739 0.000 0.967 117 N CB 0.960 38.540 38.487 -1.511 0.000 1.092 117 N HN 0.564 nan 8.380 nan 0.000 0.457 118 E N 1.044 120.576 120.200 -1.112 0.000 2.110 118 E HA -0.157 4.194 4.350 0.002 0.000 0.193 118 E C 0.581 176.538 176.600 -1.073 0.000 0.988 118 E CA 1.542 57.389 56.400 -0.922 0.000 0.804 118 E CB -0.456 28.727 29.700 -0.862 0.000 0.745 118 E HN 0.745 nan 8.360 nan 0.000 0.458 119 Y N -0.493 119.510 120.300 -0.496 0.000 2.578 119 Y HA 0.065 4.615 4.550 0.001 0.000 0.297 119 Y C 1.807 177.468 175.900 -0.399 0.000 1.176 119 Y CA 0.204 58.014 58.100 -0.485 0.000 1.315 119 Y CB 0.066 38.431 38.460 -0.159 0.000 1.031 119 Y HN -0.017 nan 8.280 nan 0.000 0.524 120 Q N 0.626 120.270 119.800 -0.259 0.000 2.280 120 Q HA 0.096 4.437 4.340 0.002 0.000 0.201 120 Q C -0.022 175.993 176.000 0.024 0.000 0.890 120 Q CA -0.318 55.440 55.803 -0.076 0.000 0.947 120 Q CB -0.320 28.354 28.738 -0.107 0.000 1.081 120 Q HN 0.642 nan 8.270 nan 0.000 0.502 121 Y N -2.370 117.850 120.300 -0.133 0.000 2.344 121 Y HA 0.776 5.326 4.550 0.001 0.000 0.330 121 Y C -0.492 175.351 175.900 -0.094 0.000 1.330 121 Y CA -1.434 56.577 58.100 -0.148 0.000 1.479 121 Y CB 0.724 39.091 38.460 -0.155 0.000 1.428 121 Y HN -0.062 nan 8.280 nan 0.000 0.544 122 A N 2.270 125.009 122.820 -0.134 0.000 2.381 122 A HA 0.540 4.861 4.320 0.002 0.000 0.299 122 A C -1.293 176.022 177.584 -0.449 0.000 1.049 122 A CA -0.804 51.040 52.037 -0.322 0.000 0.715 122 A CB 0.802 19.718 19.000 -0.141 0.000 1.222 122 A HN 0.745 nan 8.150 nan 0.000 0.428 123 I N 0.691 120.945 120.570 -0.527 0.000 2.315 123 I HA 0.623 4.794 4.170 0.002 0.000 0.291 123 I C -0.531 175.470 176.117 -0.194 0.000 1.006 123 I CA -0.551 60.538 61.300 -0.350 0.000 1.265 123 I CB 1.329 39.119 38.000 -0.350 0.000 1.387 123 I HN 0.135 nan 8.210 nan 0.000 0.475 124 V N 7.785 127.622 119.914 -0.128 0.000 2.353 124 V HA 0.362 4.483 4.120 0.002 0.000 0.264 124 V C 0.187 176.248 176.094 -0.054 0.000 1.049 124 V CA -0.173 62.080 62.300 -0.077 0.000 0.896 124 V CB 0.491 32.284 31.823 -0.050 0.000 1.025 124 V HN 0.941 nan 8.190 nan 0.000 0.475 125 Q N 4.479 124.248 119.800 -0.052 0.000 2.387 125 Q HA 0.890 5.231 4.340 0.002 0.000 0.273 125 Q C -0.814 175.172 176.000 -0.024 0.000 1.089 125 Q CA -1.015 54.765 55.803 -0.037 0.000 0.824 125 Q CB 2.673 31.385 28.738 -0.043 0.000 1.367 125 Q HN 0.592 nan 8.270 nan 0.000 0.443 126 A N 2.193 125.002 122.820 -0.018 0.000 2.288 126 A HA 0.514 4.835 4.320 0.002 0.000 0.320 126 A C -0.560 177.027 177.584 0.004 0.000 1.217 126 A CA -0.829 51.202 52.037 -0.010 0.000 0.840 126 A CB 0.703 19.693 19.000 -0.017 0.000 1.179 126 A HN 0.711 nan 8.150 nan 0.000 0.504 127 R N 1.678 122.198 120.500 0.034 0.000 2.389 127 R HA 0.528 4.869 4.340 0.002 0.000 0.295 127 R C 0.572 176.965 176.300 0.155 0.000 1.075 127 R CA 0.981 57.130 56.100 0.081 0.000 1.005 127 R CB 0.705 31.053 30.300 0.080 0.000 0.987 127 R HN 1.694 nan 8.270 nan 0.000 0.452 128 A N 1.439 124.351 122.820 0.154 0.000 6.374 128 A HA 0.110 4.431 4.320 0.002 0.000 0.225 128 A C -1.144 176.425 177.584 -0.025 0.000 2.414 128 A CA -0.298 51.827 52.037 0.147 0.000 0.680 128 A CB -1.374 17.762 19.000 0.227 0.000 0.910 128 A HN 0.932 nan 8.150 nan 0.000 0.349 129 A N -0.497 122.252 122.820 -0.118 0.000 2.371 129 A HA 1.003 5.324 4.320 0.002 0.000 0.311 129 A C 0.425 177.848 177.584 -0.270 0.000 1.068 129 A CA 0.661 52.595 52.037 -0.171 0.000 0.744 129 A CB 1.278 20.185 19.000 -0.154 0.000 1.239 129 A HN 2.752 nan 8.150 nan 0.000 0.435 130 G N 0.186 108.811 108.800 -0.290 0.000 2.660 130 G HA2 0.619 4.580 3.960 0.002 0.000 0.290 130 G HA3 0.619 4.580 3.960 0.002 0.000 0.290 130 G C -1.233 173.459 174.900 -0.347 0.000 1.432 130 G CA -0.626 44.293 45.100 -0.301 0.000 0.807 130 G HN 0.444 nan 8.290 nan 0.000 0.485 131 F N -0.402 119.508 119.950 -0.066 0.000 2.371 131 F HA 0.627 5.155 4.527 0.001 0.000 0.329 131 F C 0.591 176.374 175.800 -0.028 0.000 1.107 131 F CA -0.578 57.394 58.000 -0.045 0.000 1.137 131 F CB 1.174 40.146 39.000 -0.048 0.000 1.214 131 F HN 0.104 nan 8.300 nan 0.000 0.536 132 I N 1.334 121.993 120.570 0.149 0.000 2.566 132 I HA 0.334 4.505 4.170 0.002 0.000 0.303 132 I C -0.432 175.731 176.117 0.077 0.000 0.983 132 I CA -0.076 61.277 61.300 0.089 0.000 1.235 132 I CB 0.988 39.017 38.000 0.048 0.000 1.386 132 I HN 0.449 nan 8.210 nan 0.000 0.494 133 D N 2.339 122.776 120.400 0.062 0.000 2.596 133 D HA 0.399 5.040 4.640 0.002 0.000 0.234 133 D C 0.364 176.672 176.300 0.012 0.000 1.181 133 D CA -0.419 53.598 54.000 0.027 0.000 0.856 133 D CB 1.987 42.799 40.800 0.021 0.000 1.498 133 D HN 0.353 nan 8.370 nan 0.000 0.446 134 K N 0.301 120.674 120.400 -0.045 0.000 10.031 134 K HA -0.329 3.992 4.320 0.002 0.000 0.514 134 K C 0.793 177.325 176.600 -0.114 0.000 0.374 134 K CA 2.751 58.956 56.287 -0.136 0.000 1.951 134 K CB -1.303 31.059 32.500 -0.231 0.000 0.736 134 K HN 0.494 nan 8.250 nan 0.000 1.121 135 V N -3.739 116.180 119.914 0.008 0.000 1.571 135 V HA -0.361 3.760 4.120 0.002 0.000 0.066 135 V C 0.745 176.994 176.094 0.258 0.000 1.481 135 V CA 1.904 64.275 62.300 0.118 0.000 2.255 135 V CB -2.140 29.702 31.823 0.032 0.000 1.591 135 V HN 0.779 nan 8.190 nan 0.000 0.919 136 Y N -1.787 118.572 120.300 0.098 0.000 2.499 136 Y HA -0.131 4.420 4.550 0.003 0.000 0.124 136 Y C -1.886 174.079 175.900 0.108 0.000 1.694 136 Y CA 0.655 58.815 58.100 0.101 0.000 1.424 136 Y CB -1.018 37.505 38.460 0.104 0.000 2.069 136 Y HN 0.317 nan 8.280 nan 0.000 0.253 137 P HA 0.296 nan 4.420 nan 0.000 0.219 137 P C -1.165 176.249 177.300 0.190 0.000 1.832 137 P CA 0.373 63.590 63.100 0.195 0.000 1.014 137 P CB -0.090 31.704 31.700 0.156 0.000 1.939 138 L N 1.643 123.033 121.223 0.278 0.000 2.371 138 L HA 0.464 4.805 4.340 0.002 0.000 0.262 138 L C 1.238 178.366 176.870 0.430 0.000 1.006 138 L CA -0.379 54.641 54.840 0.301 0.000 0.818 138 L CB 1.794 43.977 42.059 0.207 0.000 1.354 138 L HN 0.078 nan 8.230 nan 0.000 0.415 139 T N -3.421 111.328 114.554 0.325 0.000 3.058 139 T HA 0.322 4.673 4.350 0.002 0.000 0.278 139 T C 0.704 175.579 174.700 0.292 0.000 0.974 139 T CA 0.413 62.672 62.100 0.266 0.000 0.893 139 T CB 0.591 69.539 68.868 0.134 0.000 1.138 139 T HN 0.325 nan 8.240 nan 0.000 0.529 140 V N -0.764 119.424 119.914 0.456 0.000 1.833 140 V HA -0.108 4.013 4.120 0.002 0.000 0.138 140 V C 0.924 177.102 176.094 0.140 0.000 2.187 140 V CA 1.023 63.523 62.300 0.333 0.000 2.872 140 V CB -1.859 30.093 31.823 0.215 0.000 1.324 140 V HN 0.919 nan 8.190 nan 0.000 1.110 141 G N 0.288 109.144 108.800 0.094 0.000 4.332 141 G HA2 0.606 4.567 3.960 0.002 0.000 0.321 141 G HA3 0.606 4.567 3.960 0.002 0.000 0.321 141 G C -1.137 173.777 174.900 0.023 0.000 1.439 141 G CA 0.624 45.755 45.100 0.052 0.000 0.900 141 G HN 0.449 nan 8.290 nan 0.000 0.515 142 D N 0.089 120.477 120.400 -0.019 0.000 2.596 142 D HA 0.457 5.098 4.640 0.002 0.000 0.234 142 D C -0.387 175.874 176.300 -0.065 0.000 1.181 142 D CA -0.637 53.339 54.000 -0.040 0.000 0.856 142 D CB 1.714 42.480 40.800 -0.055 0.000 1.498 142 D HN -0.122 nan 8.370 nan 0.000 0.446 143 K N 0.776 121.146 120.400 -0.051 0.000 2.249 143 K HA 0.509 4.830 4.320 0.002 0.000 0.280 143 K C -0.379 176.170 176.600 -0.085 0.000 1.033 143 K CA -0.567 55.686 56.287 -0.056 0.000 0.946 143 K CB 1.251 33.731 32.500 -0.033 0.000 1.005 143 K HN 0.397 nan 8.250 nan 0.000 0.469 144 V N -0.392 119.463 119.914 -0.098 0.000 3.007 144 V HA 0.565 4.686 4.120 0.002 0.000 0.311 144 V C -1.581 174.457 176.094 -0.094 0.000 1.120 144 V CA -0.899 61.331 62.300 -0.117 0.000 0.980 144 V CB 2.168 33.891 31.823 -0.167 0.000 1.033 144 V HN 0.769 nan 8.190 nan 0.000 0.429 145 Q N 3.012 122.759 119.800 -0.089 0.000 2.350 145 Q HA 0.580 4.921 4.340 0.002 0.000 0.255 145 Q C -0.347 175.611 176.000 -0.069 0.000 0.951 145 Q CA -0.705 55.056 55.803 -0.070 0.000 0.751 145 Q CB 1.754 30.461 28.738 -0.052 0.000 1.296 145 Q HN 0.871 nan 8.270 nan 0.000 0.453 146 K N 1.037 121.397 120.400 -0.067 0.000 3.553 146 K HA -0.226 4.095 4.320 0.002 0.000 0.303 146 K C 0.542 177.097 176.600 -0.074 0.000 1.327 146 K CA 0.793 57.044 56.287 -0.060 0.000 0.983 146 K CB -1.124 31.348 32.500 -0.047 0.000 1.275 146 K HN 1.276 nan 8.250 nan 0.000 0.453 147 G N -0.142 108.600 108.800 -0.097 0.000 2.136 147 G HA2 -0.332 3.629 3.960 0.002 0.000 0.242 147 G HA3 -0.332 3.629 3.960 0.002 0.000 0.242 147 G C 0.488 175.299 174.900 -0.149 0.000 0.989 147 G CA 1.245 46.271 45.100 -0.123 0.000 0.682 147 G HN 0.616 nan 8.290 nan 0.000 0.522 148 T N -1.776 112.695 114.554 -0.138 0.000 2.946 148 T HA 0.041 4.392 4.350 0.002 0.000 0.270 148 T C -0.043 174.520 174.700 -0.228 0.000 1.129 148 T CA 1.981 63.999 62.100 -0.137 0.000 1.103 148 T CB -0.267 68.541 68.868 -0.099 0.000 0.839 148 T HN 0.591 nan 8.240 nan 0.000 0.544 149 P HA 0.473 nan 4.420 nan 0.000 0.493 149 P C 0.894 177.832 177.300 -0.603 0.000 0.671 149 P CA -0.029 62.648 63.100 -0.705 0.000 2.306 149 P CB 0.730 31.652 31.700 -1.296 0.000 1.089 150 L N -2.034 118.836 121.223 -0.589 0.000 2.848 150 L HA -0.245 4.096 4.340 0.002 0.000 0.400 150 L C 0.371 177.410 176.870 0.281 0.000 2.308 150 L CA 2.653 57.439 54.840 -0.090 0.000 2.916 150 L CB -1.538 40.485 42.059 -0.061 0.000 1.824 150 L HN 0.472 nan 8.230 nan 0.000 0.807 151 L N -5.536 115.883 121.223 0.327 0.000 3.154 151 L HA 0.522 4.863 4.340 0.002 0.000 0.228 151 L C -2.316 174.718 176.870 0.273 0.000 0.975 151 L CA -1.107 53.981 54.840 0.413 0.000 1.080 151 L CB 0.575 42.807 42.059 0.289 0.000 1.501 151 L HN -0.013 nan 8.230 nan 0.000 0.406 152 D N 2.504 123.029 120.400 0.208 0.000 2.934 152 D HA 0.724 5.365 4.640 0.002 0.000 0.230 152 D C -1.142 175.241 176.300 0.139 0.000 1.204 152 D CA -0.260 53.846 54.000 0.177 0.000 0.873 152 D CB 2.523 43.410 40.800 0.146 0.000 1.645 152 D HN 0.796 nan 8.370 nan 0.000 0.502 153 L N -0.465 120.864 121.223 0.177 0.000 2.362 153 L HA 0.719 5.060 4.340 0.002 0.000 0.275 153 L C 0.016 176.970 176.870 0.140 0.000 0.998 153 L CA -0.736 54.194 54.840 0.151 0.000 0.820 153 L CB 1.062 43.200 42.059 0.132 0.000 1.270 153 L HN 0.378 nan 8.230 nan 0.000 0.415 154 T N 0.812 115.397 114.554 0.053 0.000 2.767 154 T HA 0.763 5.114 4.350 0.002 0.000 0.284 154 T C -0.133 174.571 174.700 0.008 0.000 0.973 154 T CA -0.493 61.567 62.100 -0.068 0.000 0.996 154 T CB 1.307 70.124 68.868 -0.085 0.000 0.927 154 T HN 0.522 nan 8.240 nan 0.000 0.456 155 I N 4.737 125.281 120.570 -0.043 0.000 2.404 155 I HA 0.319 4.490 4.170 0.002 0.000 0.293 155 I C -1.732 174.346 176.117 -0.066 0.000 0.992 155 I CA -2.878 58.366 61.300 -0.093 0.000 1.149 155 I CB 2.270 39.990 38.000 -0.467 0.000 1.315 155 I HN 0.378 nan 8.210 nan 0.000 0.446 156 P HA -0.090 nan 4.420 nan 0.000 0.214 156 P C 0.617 177.956 177.300 0.065 0.000 1.162 156 P CA 1.283 64.403 63.100 0.033 0.000 0.874 156 P CB 0.174 31.923 31.700 0.082 0.000 0.784 157 D N -1.451 118.984 120.400 0.059 0.000 2.117 157 D HA -0.180 4.461 4.640 0.002 0.000 0.197 157 D C 1.662 178.158 176.300 0.327 0.000 0.987 157 D CA 0.910 55.011 54.000 0.168 0.000 0.829 157 D CB -1.108 39.799 40.800 0.179 0.000 0.961 157 D HN 0.203 nan 8.370 nan 0.000 0.460 158 W N 1.421 122.775 121.300 0.091 0.000 2.358 158 W HA -0.062 4.598 4.660 0.000 0.000 0.303 158 W C 2.513 179.083 176.519 0.086 0.000 1.208 158 W CA 1.020 58.422 57.345 0.093 0.000 1.274 158 W CB -1.419 28.132 29.460 0.152 0.000 1.138 158 W HN 0.019 nan 8.180 nan 0.000 0.515 159 V N 0.482 120.581 119.914 0.309 0.000 2.343 159 V HA -0.278 3.844 4.120 0.002 0.000 0.247 159 V C 2.081 178.264 176.094 0.149 0.000 1.051 159 V CA 2.566 64.978 62.300 0.187 0.000 1.036 159 V CB -1.236 30.651 31.823 0.108 0.000 0.654 159 V HN 0.205 nan 8.190 nan 0.000 0.451 160 E N 2.829 123.113 120.200 0.140 0.000 2.077 160 E HA -0.098 4.253 4.350 0.002 0.000 0.193 160 E C 2.030 178.702 176.600 0.119 0.000 0.989 160 E CA 2.188 58.654 56.400 0.110 0.000 0.800 160 E CB -1.026 28.732 29.700 0.096 0.000 0.746 160 E HN 0.647 nan 8.360 nan 0.000 0.452 161 A N 0.604 123.509 122.820 0.142 0.000 1.902 161 A HA -0.233 4.088 4.320 0.002 0.000 0.217 161 A C 2.254 179.918 177.584 0.134 0.000 1.181 161 A CA 1.761 53.870 52.037 0.121 0.000 0.623 161 A CB -0.654 18.407 19.000 0.101 0.000 0.818 161 A HN 0.409 nan 8.150 nan 0.000 0.443 162 Q N -0.088 119.798 119.800 0.143 0.000 2.084 162 Q HA -0.158 4.183 4.340 0.002 0.000 0.202 162 Q C 2.494 178.621 176.000 0.210 0.000 0.978 162 Q CA 1.883 57.788 55.803 0.171 0.000 0.844 162 Q CB -0.304 28.524 28.738 0.151 0.000 0.898 162 Q HN 0.844 nan 8.270 nan 0.000 0.426 163 S N 1.146 116.933 115.700 0.144 0.000 2.368 163 S HA -0.228 4.243 4.470 0.002 0.000 0.225 163 S C 1.956 176.614 174.600 0.097 0.000 1.030 163 S CA 1.505 59.769 58.200 0.107 0.000 0.999 163 S CB -0.218 63.027 63.200 0.076 0.000 0.844 163 S HN 0.446 nan 8.310 nan 0.000 0.459 164 E N 1.266 121.531 120.200 0.107 0.000 2.077 164 E HA -0.230 4.122 4.350 0.002 0.000 0.193 164 E C 1.897 178.557 176.600 0.100 0.000 0.989 164 E CA 1.770 58.222 56.400 0.087 0.000 0.800 164 E CB -1.325 28.426 29.700 0.086 0.000 0.746 164 E HN 0.799 nan 8.360 nan 0.000 0.452 165 Y N 0.815 121.128 120.300 0.022 0.000 2.181 165 Y HA -0.082 4.469 4.550 0.002 0.000 0.288 165 Y C 1.905 177.814 175.900 0.014 0.000 1.146 165 Y CA 1.841 59.950 58.100 0.015 0.000 1.164 165 Y CB -0.233 38.235 38.460 0.014 0.000 0.982 165 Y HN 0.078 nan 8.280 nan 0.000 0.515 166 L N 0.069 121.237 121.223 -0.093 0.000 2.046 166 L HA -0.210 4.131 4.340 0.002 0.000 0.208 166 L C 2.526 179.297 176.870 -0.164 0.000 1.077 166 L CA 1.318 56.045 54.840 -0.188 0.000 0.747 166 L CB -0.874 41.189 42.059 0.006 0.000 0.896 166 L HN 0.450 nan 8.230 nan 0.000 0.432 167 L N -1.394 119.782 121.223 -0.079 0.000 2.046 167 L HA -0.153 4.188 4.340 0.002 0.000 0.208 167 L C 2.209 179.026 176.870 -0.087 0.000 1.077 167 L CA 1.715 56.520 54.840 -0.059 0.000 0.747 167 L CB -1.222 40.825 42.059 -0.020 0.000 0.896 167 L HN 0.027 nan 8.230 nan 0.000 0.432 168 L N -0.378 120.778 121.223 -0.111 0.000 2.046 168 L HA -0.091 4.250 4.340 0.002 0.000 0.208 168 L C 2.978 179.753 176.870 -0.158 0.000 1.077 168 L CA 1.628 56.402 54.840 -0.110 0.000 0.747 168 L CB -0.612 41.400 42.059 -0.080 0.000 0.896 168 L HN 0.296 nan 8.230 nan 0.000 0.432 169 R N -0.806 119.526 120.500 -0.280 0.000 2.081 169 R HA -0.212 4.129 4.340 0.002 0.000 0.235 169 R C 2.236 178.452 176.300 -0.140 0.000 1.131 169 R CA 1.443 57.392 56.100 -0.251 0.000 0.960 169 R CB -0.089 29.987 30.300 -0.375 0.000 0.856 169 R HN 0.256 nan 8.270 nan 0.000 0.436 170 E N 0.299 120.427 120.200 -0.121 0.000 2.077 170 E HA -0.124 4.227 4.350 0.002 0.000 0.193 170 E C 1.278 177.846 176.600 -0.053 0.000 0.989 170 E CA 1.712 58.069 56.400 -0.072 0.000 0.800 170 E CB -0.194 29.471 29.700 -0.057 0.000 0.746 170 E HN 0.360 nan 8.360 nan 0.000 0.452 171 T N -2.595 111.927 114.554 -0.053 0.000 4.893 171 T HA 0.407 4.758 4.350 0.002 0.000 0.358 171 T C 0.788 175.465 174.700 -0.039 0.000 1.100 171 T CA -0.080 61.998 62.100 -0.037 0.000 0.912 171 T CB 0.140 68.989 68.868 -0.032 0.000 1.794 171 T HN 0.142 nan 8.240 nan 0.000 0.457 172 G N -1.097 107.684 108.800 -0.032 0.000 2.566 172 G HA2 0.637 4.598 3.960 0.002 0.000 0.311 172 G HA3 0.637 4.598 3.960 0.002 0.000 0.311 172 G C -0.580 174.303 174.900 -0.028 0.000 1.322 172 G CA -0.480 44.603 45.100 -0.029 0.000 0.969 172 G HN 0.995 nan 8.290 nan 0.000 0.490 173 G N -0.210 108.573 108.800 -0.029 0.000 2.659 173 G HA2 0.650 4.611 3.960 0.002 0.000 0.296 173 G HA3 0.650 4.611 3.960 0.002 0.000 0.296 173 G C -0.024 174.871 174.900 -0.009 0.000 1.369 173 G CA -0.041 45.047 45.100 -0.021 0.000 0.937 173 G HN 1.088 nan 8.290 nan 0.000 0.485 174 T N -0.576 113.977 114.554 -0.000 0.000 2.908 174 T HA 0.371 4.722 4.350 0.002 0.000 0.301 174 T C 1.699 176.406 174.700 0.012 0.000 1.019 174 T CA 0.788 62.892 62.100 0.006 0.000 1.152 174 T CB 1.239 70.112 68.868 0.009 0.000 0.966 174 T HN 1.279 nan 8.240 nan 0.000 0.540 175 A N 3.906 126.733 122.820 0.012 0.000 1.902 175 A HA -0.041 4.280 4.320 0.002 0.000 0.217 175 A C 2.695 180.298 177.584 0.031 0.000 1.181 175 A CA 2.121 54.171 52.037 0.021 0.000 0.623 175 A CB -1.587 17.424 19.000 0.017 0.000 0.818 175 A HN 1.165 nan 8.150 nan 0.000 0.443 176 T N -2.908 111.659 114.554 0.022 0.000 2.746 176 T HA -0.232 4.119 4.350 0.002 0.000 0.267 176 T C 1.964 176.680 174.700 0.027 0.000 1.039 176 T CA 1.791 63.903 62.100 0.021 0.000 1.142 176 T CB -0.346 68.529 68.868 0.013 0.000 0.866 176 T HN 0.326 nan 8.240 nan 0.000 0.444 177 Q N 1.201 121.018 119.800 0.028 0.000 2.084 177 Q HA -0.063 4.278 4.340 0.002 0.000 0.202 177 Q C 2.518 178.554 176.000 0.059 0.000 0.978 177 Q CA 2.446 58.269 55.803 0.034 0.000 0.844 177 Q CB -1.358 27.396 28.738 0.026 0.000 0.898 177 Q HN 0.691 nan 8.270 nan 0.000 0.426 178 T N -0.846 113.754 114.554 0.078 0.000 2.746 178 T HA -0.193 4.158 4.350 0.002 0.000 0.267 178 T C 1.621 176.415 174.700 0.157 0.000 1.039 178 T CA 1.727 63.923 62.100 0.160 0.000 1.142 178 T CB -0.258 68.702 68.868 0.154 0.000 0.866 178 T HN 0.364 nan 8.240 nan 0.000 0.444 179 E N 0.679 120.932 120.200 0.089 0.000 2.077 179 E HA 0.041 4.392 4.350 0.002 0.000 0.193 179 E C 2.308 178.915 176.600 0.013 0.000 0.989 179 E CA 1.828 58.254 56.400 0.043 0.000 0.800 179 E CB -1.195 28.521 29.700 0.027 0.000 0.746 179 E HN 0.580 nan 8.360 nan 0.000 0.452 180 G N 1.031 109.843 108.800 0.020 0.000 2.418 180 G HA2 -0.253 3.708 3.960 0.002 0.000 0.217 180 G HA3 -0.253 3.708 3.960 0.002 0.000 0.217 180 G C 1.752 176.650 174.900 -0.002 0.000 1.158 180 G CA 0.760 45.863 45.100 0.005 0.000 0.771 180 G HN 0.403 nan 8.290 nan 0.000 0.545 181 I N -0.270 120.315 120.570 0.024 0.000 2.226 181 I HA -0.121 4.050 4.170 0.002 0.000 0.245 181 I C 2.546 178.630 176.117 -0.056 0.000 1.100 181 I CA 0.857 62.169 61.300 0.019 0.000 1.374 181 I CB 0.041 38.100 38.000 0.098 0.000 1.057 181 I HN 0.110 nan 8.210 nan 0.000 0.413 182 L N 0.727 121.893 121.223 -0.096 0.000 2.046 182 L HA -0.222 4.119 4.340 0.002 0.000 0.208 182 L C 2.542 179.319 176.870 -0.155 0.000 1.077 182 L CA 1.591 56.307 54.840 -0.207 0.000 0.747 182 L CB -0.839 41.087 42.059 -0.221 0.000 0.896 182 L HN 0.239 nan 8.230 nan 0.000 0.432 183 E N -0.058 120.082 120.200 -0.099 0.000 2.077 183 E HA -0.198 4.153 4.350 0.002 0.000 0.193 183 E C 2.397 178.939 176.600 -0.097 0.000 0.989 183 E CA 1.100 57.447 56.400 -0.089 0.000 0.800 183 E CB 0.040 29.706 29.700 -0.056 0.000 0.746 183 E HN 0.395 nan 8.360 nan 0.000 0.452 184 R N 0.010 120.462 120.500 -0.081 0.000 2.081 184 R HA -0.148 4.193 4.340 0.002 0.000 0.235 184 R C 2.511 178.735 176.300 -0.126 0.000 1.131 184 R CA 1.108 57.162 56.100 -0.076 0.000 0.960 184 R CB -0.418 29.857 30.300 -0.041 0.000 0.856 184 R HN 0.130 nan 8.270 nan 0.000 0.436 185 L N 1.314 122.438 121.223 -0.165 0.000 2.046 185 L HA -0.159 4.182 4.340 0.002 0.000 0.208 185 L C 2.100 178.752 176.870 -0.363 0.000 1.077 185 L CA 1.699 56.377 54.840 -0.270 0.000 0.747 185 L CB -0.258 41.641 42.059 -0.268 0.000 0.896 185 L HN -0.016 nan 8.230 nan 0.000 0.432 186 R N -0.603 119.733 120.500 -0.272 0.000 2.081 186 R HA -0.148 4.193 4.340 0.002 0.000 0.235 186 R C 2.185 178.348 176.300 -0.229 0.000 1.131 186 R CA 1.634 57.579 56.100 -0.259 0.000 0.960 186 R CB -0.827 29.365 30.300 -0.180 0.000 0.856 186 R HN 0.468 nan 8.270 nan 0.000 0.436 187 L N -0.040 121.081 121.223 -0.171 0.000 2.046 187 L HA 0.018 4.359 4.340 0.002 0.000 0.208 187 L C 2.204 179.000 176.870 -0.124 0.000 1.077 187 L CA 1.876 56.644 54.840 -0.120 0.000 0.747 187 L CB -1.175 40.836 42.059 -0.079 0.000 0.896 187 L HN 0.021 nan 8.230 nan 0.000 0.432 188 A N -0.332 122.387 122.820 -0.169 0.000 1.883 188 A HA 0.247 4.568 4.320 0.002 0.000 0.217 188 A C 2.103 179.628 177.584 -0.098 0.000 1.186 188 A CA 2.129 54.104 52.037 -0.103 0.000 0.624 188 A CB -1.063 17.859 19.000 -0.130 0.000 0.822 188 A HN 0.953 nan 8.150 nan 0.000 0.444 189 G N -3.597 104.971 108.800 -0.386 0.000 4.362 189 G HA2 0.105 4.066 3.960 0.002 0.000 0.220 189 G HA3 0.105 4.066 3.960 0.002 0.000 0.220 189 G C 0.160 174.660 174.900 -0.667 0.000 0.795 189 G CA -0.081 44.850 45.100 -0.281 0.000 0.920 189 G HN 0.158 nan 8.290 nan 0.000 0.715 190 M N 1.908 120.894 119.600 -1.023 0.000 2.248 190 M HA 0.150 4.631 4.480 0.002 0.000 0.343 190 M C -2.058 173.993 176.300 -0.415 0.000 1.243 190 M CA -0.405 54.369 55.300 -0.876 0.000 1.025 190 M CB 0.384 32.583 32.600 -0.668 0.000 1.759 190 M HN -0.070 nan 8.290 nan 0.000 0.452 191 P HA 0.021 nan 4.420 nan 0.000 0.271 191 P C 0.377 177.598 177.300 -0.132 0.000 1.216 191 P CA -0.027 62.972 63.100 -0.168 0.000 0.776 191 P CB 0.503 32.133 31.700 -0.118 0.000 0.881 192 E N 2.411 122.549 120.200 -0.104 0.000 2.077 192 E HA -0.172 4.179 4.350 0.002 0.000 0.193 192 E C 1.853 178.422 176.600 -0.052 0.000 0.989 192 E CA 1.595 57.944 56.400 -0.085 0.000 0.800 192 E CB -0.381 29.277 29.700 -0.070 0.000 0.746 192 E HN 0.475 nan 8.360 nan 0.000 0.452 193 A N 1.444 124.245 122.820 -0.032 0.000 1.902 193 A HA -0.194 4.127 4.320 0.002 0.000 0.217 193 A C 1.883 179.475 177.584 0.014 0.000 1.181 193 A CA 1.757 53.791 52.037 -0.005 0.000 0.623 193 A CB -0.372 18.632 19.000 0.006 0.000 0.818 193 A HN 0.111 nan 8.150 nan 0.000 0.443 194 D N -0.012 120.404 120.400 0.026 0.000 2.117 194 D HA -0.107 4.534 4.640 0.002 0.000 0.197 194 D C 1.872 178.197 176.300 0.042 0.000 0.987 194 D CA 1.019 55.069 54.000 0.083 0.000 0.829 194 D CB -0.290 40.612 40.800 0.169 0.000 0.961 194 D HN 0.506 nan 8.370 nan 0.000 0.460 195 I N 0.950 121.504 120.570 -0.027 0.000 2.226 195 I HA -0.251 3.920 4.170 0.002 0.000 0.245 195 I C 2.374 178.466 176.117 -0.043 0.000 1.100 195 I CA 0.987 62.246 61.300 -0.068 0.000 1.374 195 I CB -0.091 37.830 38.000 -0.131 0.000 1.057 195 I HN -0.019 nan 8.210 nan 0.000 0.413 196 R N 0.314 120.799 120.500 -0.025 0.000 2.081 196 R HA -0.181 4.160 4.340 0.002 0.000 0.235 196 R C 2.377 178.686 176.300 0.016 0.000 1.131 196 R CA 1.158 57.254 56.100 -0.007 0.000 0.960 196 R CB -0.527 29.770 30.300 -0.005 0.000 0.856 196 R HN 0.328 nan 8.270 nan 0.000 0.436 197 R N 1.223 121.739 120.500 0.026 0.000 2.081 197 R HA -0.135 4.206 4.340 0.002 0.000 0.235 197 R C 2.299 178.629 176.300 0.050 0.000 1.131 197 R CA 1.220 57.345 56.100 0.041 0.000 0.960 197 R CB -0.258 30.074 30.300 0.055 0.000 0.856 197 R HN 0.192 nan 8.270 nan 0.000 0.436 198 L N 0.890 122.144 121.223 0.052 0.000 2.046 198 L HA -0.105 4.236 4.340 0.002 0.000 0.208 198 L C 1.959 178.884 176.870 0.091 0.000 1.077 198 L CA 1.653 56.534 54.840 0.069 0.000 0.747 198 L CB -0.216 41.876 42.059 0.055 0.000 0.896 198 L HN 0.223 nan 8.230 nan 0.000 0.432 199 I N -0.166 120.447 120.570 0.073 0.000 2.226 199 I HA -0.281 3.890 4.170 0.002 0.000 0.245 199 I C 2.631 178.801 176.117 0.088 0.000 1.100 199 I CA 1.142 62.512 61.300 0.116 0.000 1.374 199 I CB -0.678 37.373 38.000 0.085 0.000 1.057 199 I HN 0.395 nan 8.210 nan 0.000 0.413 200 A N 0.462 123.317 122.820 0.059 0.000 1.902 200 A HA -0.202 4.119 4.320 0.002 0.000 0.217 200 A C 2.232 179.843 177.584 0.045 0.000 1.181 200 A CA 2.322 54.386 52.037 0.046 0.000 0.623 200 A CB -0.935 18.086 19.000 0.035 0.000 0.818 200 A HN 0.510 nan 8.150 nan 0.000 0.443 201 T N -3.990 110.595 114.554 0.051 0.000 3.134 201 T HA 0.236 4.587 4.350 0.002 0.000 0.260 201 T C 0.580 175.312 174.700 0.053 0.000 1.027 201 T CA 0.558 62.685 62.100 0.045 0.000 0.913 201 T CB -0.107 68.785 68.868 0.040 0.000 1.046 201 T HN 0.487 nan 8.240 nan 0.000 0.553 202 Q N 0.928 120.772 119.800 0.072 0.000 2.329 202 Q HA -0.202 4.139 4.340 0.002 0.000 0.325 202 Q C -0.772 175.269 176.000 0.068 0.000 1.228 202 Q CA 0.723 56.575 55.803 0.080 0.000 0.979 202 Q CB -0.625 28.139 28.738 0.043 0.000 1.246 202 Q HN 0.517 nan 8.270 nan 0.000 0.470 203 K N 1.047 121.489 120.400 0.070 0.000 2.274 203 K HA 0.324 4.646 4.320 0.002 0.000 0.262 203 K C 0.164 176.804 176.600 0.067 0.000 0.961 203 K CA -0.781 55.538 56.287 0.054 0.000 0.833 203 K CB 0.949 33.472 32.500 0.039 0.000 1.102 203 K HN 0.237 nan 8.250 nan 0.000 0.436 204 I N 3.330 123.937 120.570 0.062 0.000 2.826 204 I HA -0.131 4.040 4.170 0.002 0.000 0.295 204 I C 0.840 176.993 176.117 0.060 0.000 1.213 204 I CA 0.702 62.047 61.300 0.075 0.000 1.436 204 I CB 0.270 38.306 38.000 0.060 0.000 1.348 204 I HN 0.324 nan 8.210 nan 0.000 0.570 205 Q N 4.537 124.389 119.800 0.087 0.000 2.279 205 Q HA 0.234 4.575 4.340 0.002 0.000 0.256 205 Q C 0.626 176.643 176.000 0.029 0.000 0.937 205 Q CA 0.154 56.006 55.803 0.081 0.000 0.933 205 Q CB 1.571 30.409 28.738 0.166 0.000 1.189 205 Q HN 0.751 nan 8.270 nan 0.000 0.417 206 T N 1.613 116.082 114.554 -0.142 0.000 3.100 206 T HA 0.168 4.519 4.350 0.002 0.000 0.255 206 T C -0.230 174.081 174.700 -0.648 0.000 0.893 206 T CA -0.017 61.919 62.100 -0.274 0.000 0.882 206 T CB 0.525 69.309 68.868 -0.141 0.000 1.266 206 T HN 0.491 nan 8.240 nan 0.000 0.528 207 R N 1.119 121.241 120.500 -0.630 0.000 2.476 207 R HA 0.598 4.939 4.340 0.002 0.000 0.305 207 R C -1.840 174.137 176.300 -0.539 0.000 0.965 207 R CA -0.566 55.168 56.100 -0.610 0.000 0.867 207 R CB 0.632 30.787 30.300 -0.242 0.000 1.176 207 R HN 0.155 nan 8.270 nan 0.000 0.447 208 F N 1.359 121.355 119.950 0.077 0.000 2.520 208 F HA 0.415 4.942 4.527 -0.000 0.000 0.322 208 F C 0.087 175.937 175.800 0.083 0.000 1.103 208 F CA -1.159 56.893 58.000 0.087 0.000 0.926 208 F CB 2.115 41.184 39.000 0.114 0.000 1.154 208 F HN 0.356 nan 8.300 nan 0.000 0.453 209 T N 1.454 116.166 114.554 0.264 0.000 2.758 209 T HA 0.705 5.056 4.350 0.002 0.000 0.285 209 T C -0.669 174.136 174.700 0.175 0.000 0.981 209 T CA -0.807 61.423 62.100 0.216 0.000 0.965 209 T CB 0.873 69.868 68.868 0.212 0.000 0.927 209 T HN 0.610 nan 8.240 nan 0.000 0.448 210 L N 0.810 122.118 121.223 0.142 0.000 2.307 210 L HA 0.762 5.104 4.340 0.002 0.000 0.282 210 L C -0.332 176.547 176.870 0.016 0.000 1.051 210 L CA -1.005 53.880 54.840 0.075 0.000 0.804 210 L CB 0.433 42.528 42.059 0.060 0.000 1.197 210 L HN 0.560 nan 8.230 nan 0.000 0.431 211 K N 2.349 122.740 120.400 -0.015 0.000 2.206 211 K HA 0.802 5.123 4.320 0.002 0.000 0.264 211 K C -0.354 176.207 176.600 -0.065 0.000 0.967 211 K CA -0.653 55.597 56.287 -0.063 0.000 0.844 211 K CB 1.809 34.273 32.500 -0.060 0.000 1.099 211 K HN 0.879 nan 8.250 nan 0.000 0.441 212 A N 4.202 126.967 122.820 -0.092 0.000 2.440 212 A HA 0.198 4.519 4.320 0.002 0.000 0.251 212 A C -1.601 175.934 177.584 -0.083 0.000 1.089 212 A CA -1.199 50.783 52.037 -0.092 0.000 0.779 212 A CB -0.071 18.857 19.000 -0.122 0.000 1.022 212 A HN 0.539 nan 8.150 nan 0.000 0.492 213 P HA -0.109 nan 4.420 nan 0.000 0.215 213 P C 0.552 177.819 177.300 -0.055 0.000 1.157 213 P CA 1.211 64.275 63.100 -0.060 0.000 0.868 213 P CB -0.351 31.315 31.700 -0.057 0.000 0.788 214 I N -3.302 117.230 120.570 -0.062 0.000 2.783 214 I HA 0.450 4.621 4.170 0.002 0.000 0.312 214 I C -0.468 175.610 176.117 -0.066 0.000 0.988 214 I CA -1.174 60.093 61.300 -0.055 0.000 1.182 214 I CB 0.723 38.695 38.000 -0.047 0.000 1.368 214 I HN -0.339 nan 8.210 nan 0.000 0.511 215 D N 2.715 123.082 120.400 -0.054 0.000 2.308 215 D HA 0.637 5.278 4.640 0.002 0.000 0.251 215 D C 0.281 176.542 176.300 -0.065 0.000 1.127 215 D CA 0.388 54.354 54.000 -0.056 0.000 0.876 215 D CB 1.614 42.390 40.800 -0.039 0.000 1.176 215 D HN 0.959 nan 8.370 nan 0.000 0.446 216 G N -0.126 108.626 108.800 -0.079 0.000 2.427 216 G HA2 0.469 4.430 3.960 0.002 0.000 0.306 216 G HA3 0.469 4.430 3.960 0.002 0.000 0.306 216 G C -1.555 173.282 174.900 -0.104 0.000 1.280 216 G CA -0.454 44.589 45.100 -0.096 0.000 0.837 216 G HN 0.368 nan 8.290 nan 0.000 0.482 217 V N -0.236 119.601 119.914 -0.128 0.000 3.046 217 V HA 0.665 4.786 4.120 0.002 0.000 0.316 217 V C -0.757 175.255 176.094 -0.135 0.000 1.104 217 V CA -0.675 61.559 62.300 -0.110 0.000 1.006 217 V CB 1.917 33.691 31.823 -0.082 0.000 1.058 217 V HN 0.611 nan 8.190 nan 0.000 0.440 218 I N 1.651 122.155 120.570 -0.111 0.000 2.354 218 I HA 0.333 4.504 4.170 0.002 0.000 0.292 218 I C 1.345 177.443 176.117 -0.032 0.000 0.989 218 I CA 0.142 61.381 61.300 -0.101 0.000 1.188 218 I CB 1.831 39.748 38.000 -0.139 0.000 1.342 218 I HN 0.853 nan 8.210 nan 0.000 0.457 219 T N 2.637 117.174 114.554 -0.029 0.000 2.809 219 T HA 0.257 4.608 4.350 0.002 0.000 0.260 219 T C 0.728 175.459 174.700 0.053 0.000 1.039 219 T CA 0.592 62.700 62.100 0.012 0.000 1.141 219 T CB 0.106 68.974 68.868 -0.001 0.000 0.869 219 T HN 0.598 nan 8.240 nan 0.000 0.437 220 A N 0.191 123.052 122.820 0.067 0.000 2.330 220 A HA 0.719 5.040 4.320 0.002 0.000 0.313 220 A C -1.101 176.600 177.584 0.195 0.000 1.124 220 A CA -0.900 51.193 52.037 0.093 0.000 0.774 220 A CB 0.624 19.657 19.000 0.054 0.000 1.198 220 A HN 0.609 nan 8.150 nan 0.000 0.465 221 F N 2.605 122.550 119.950 -0.008 0.000 2.883 221 F HA 0.324 4.854 4.527 0.004 0.000 0.383 221 F C -0.440 175.361 175.800 0.002 0.000 1.342 221 F CA -0.312 57.685 58.000 -0.006 0.000 1.150 221 F CB 0.933 39.930 39.000 -0.005 0.000 2.189 221 F HN 0.566 nan 8.300 nan 0.000 0.593 222 D N 1.319 121.559 120.400 -0.267 0.000 2.474 222 D HA 0.226 4.867 4.640 0.002 0.000 0.213 222 D C 0.278 176.403 176.300 -0.292 0.000 1.120 222 D CA 0.441 54.258 54.000 -0.304 0.000 0.836 222 D CB 0.613 41.335 40.800 -0.129 0.000 1.019 222 D HN 0.227 nan 8.370 nan 0.000 0.507 223 L N 1.455 122.521 121.223 -0.262 0.000 2.452 223 L HA 0.324 4.665 4.340 0.002 0.000 0.267 223 L C 0.930 177.684 176.870 -0.194 0.000 1.188 223 L CA 0.532 55.267 54.840 -0.175 0.000 0.821 223 L CB 0.537 42.529 42.059 -0.112 0.000 1.102 223 L HN 0.028 nan 8.230 nan 0.000 0.470 224 R N 2.635 123.066 120.500 -0.116 0.000 2.826 224 R HA 0.660 5.001 4.340 0.002 0.000 0.269 224 R C -0.972 175.303 176.300 -0.041 0.000 1.031 224 R CA -0.246 55.803 56.100 -0.085 0.000 0.900 224 R CB 0.783 31.025 30.300 -0.098 0.000 1.318 224 R HN 0.850 nan 8.270 nan 0.000 0.447 225 A N -0.231 122.574 122.820 -0.025 0.000 2.667 225 A HA 0.025 4.346 4.320 0.002 0.000 0.298 225 A C 1.088 178.680 177.584 0.013 0.000 1.483 225 A CA 1.856 53.886 52.037 -0.010 0.000 0.738 225 A CB -2.323 16.667 19.000 -0.017 0.000 1.067 225 A HN 2.413 nan 8.150 nan 0.000 0.451 226 G N -1.504 107.317 108.800 0.034 0.000 2.370 226 G HA2 -0.030 3.931 3.960 0.002 0.000 0.293 226 G HA3 -0.030 3.931 3.960 0.002 0.000 0.293 226 G C -0.076 174.905 174.900 0.135 0.000 0.992 226 G CA 1.010 46.161 45.100 0.085 0.000 1.247 226 G HN 1.787 nan 8.290 nan 0.000 0.505 227 M N -0.086 119.570 119.600 0.093 0.000 2.644 227 M HA 0.493 4.974 4.480 0.002 0.000 0.316 227 M C 0.173 176.446 176.300 -0.046 0.000 1.200 227 M CA -1.218 54.112 55.300 0.051 0.000 0.944 227 M CB 1.173 33.771 32.600 -0.004 0.000 1.691 227 M HN 0.063 nan 8.290 nan 0.000 0.471 228 N N 1.150 119.761 118.700 -0.147 0.000 2.492 228 N HA 0.471 5.212 4.740 0.002 0.000 0.260 228 N C -1.213 174.159 175.510 -0.231 0.000 1.215 228 N CA 0.113 52.945 53.050 -0.363 0.000 0.923 228 N CB 0.335 38.636 38.487 -0.310 0.000 1.092 228 N HN 0.372 nan 8.380 nan 0.000 0.448 229 I N 0.497 120.908 120.570 -0.264 0.000 2.892 229 I HA 0.760 4.931 4.170 0.002 0.000 0.306 229 I C -0.111 175.906 176.117 -0.168 0.000 1.078 229 I CA -1.246 59.957 61.300 -0.163 0.000 1.032 229 I CB 1.672 39.595 38.000 -0.128 0.000 1.229 229 I HN 0.587 nan 8.210 nan 0.000 0.435 230 A N 3.668 126.423 122.820 -0.109 0.000 2.569 230 A HA 0.735 5.056 4.320 0.002 0.000 0.290 230 A C 0.373 177.925 177.584 -0.053 0.000 1.136 230 A CA 0.035 52.018 52.037 -0.090 0.000 0.710 230 A CB 1.391 20.343 19.000 -0.081 0.000 1.303 230 A HN 0.804 nan 8.150 nan 0.000 0.413 231 K N -0.267 120.111 120.400 -0.037 0.000 2.836 231 K HA -0.280 4.041 4.320 0.002 0.000 0.175 231 K C -0.806 175.790 176.600 -0.007 0.000 0.789 231 K CA 2.400 58.679 56.287 -0.014 0.000 0.485 231 K CB -1.434 31.058 32.500 -0.013 0.000 0.744 231 K HN 0.665 nan 8.250 nan 0.000 0.798 232 D N 2.100 122.492 120.400 -0.012 0.000 2.542 232 D HA 0.353 4.994 4.640 0.002 0.000 0.252 232 D C -1.039 175.248 176.300 -0.021 0.000 1.222 232 D CA -0.542 53.451 54.000 -0.012 0.000 0.895 232 D CB 1.343 42.137 40.800 -0.009 0.000 1.207 232 D HN 0.243 nan 8.370 nan 0.000 0.558 233 N N 0.424 119.107 118.700 -0.028 0.000 2.384 233 N HA 0.270 5.011 4.740 0.002 0.000 0.301 233 N C -0.818 174.676 175.510 -0.027 0.000 1.133 233 N CA -0.584 52.448 53.050 -0.030 0.000 0.853 233 N CB 2.423 40.886 38.487 -0.041 0.000 1.241 233 N HN 0.101 nan 8.380 nan 0.000 0.502 234 V N 2.497 122.396 119.914 -0.025 0.000 2.521 234 V HA 0.058 4.179 4.120 0.002 0.000 0.286 234 V C 0.700 176.788 176.094 -0.010 0.000 1.034 234 V CA 0.235 62.521 62.300 -0.023 0.000 1.045 234 V CB 0.752 32.563 31.823 -0.021 0.000 0.974 234 V HN 0.489 nan 8.190 nan 0.000 0.480 235 V N 6.561 126.476 119.914 0.001 0.000 3.647 235 V HA 0.531 4.652 4.120 0.002 0.000 0.279 235 V C 0.714 176.852 176.094 0.074 0.000 1.314 235 V CA 0.965 63.286 62.300 0.034 0.000 1.125 235 V CB -1.134 30.710 31.823 0.036 0.000 0.907 235 V HN 1.469 nan 8.190 nan 0.000 0.434 236 A N 0.813 123.653 122.820 0.033 0.000 5.690 236 A HA 0.077 4.399 4.320 0.002 0.000 0.316 236 A C -0.287 177.287 177.584 -0.017 0.000 2.270 236 A CA 0.114 52.176 52.037 0.041 0.000 0.632 236 A CB -0.528 18.563 19.000 0.153 0.000 1.620 236 A HN 0.562 nan 8.150 nan 0.000 0.367 237 K N -0.430 119.955 120.400 -0.025 0.000 2.482 237 K HA 0.898 5.219 4.320 0.002 0.000 0.257 237 K C -1.046 175.500 176.600 -0.091 0.000 0.969 237 K CA -0.812 55.416 56.287 -0.098 0.000 0.842 237 K CB 1.956 34.380 32.500 -0.127 0.000 1.359 237 K HN 0.867 nan 8.250 nan 0.000 0.441 238 I N 1.797 122.291 120.570 -0.127 0.000 2.474 238 I HA 0.212 4.383 4.170 0.002 0.000 0.294 238 I C -0.340 175.701 176.117 -0.128 0.000 1.005 238 I CA -1.142 60.081 61.300 -0.129 0.000 1.113 238 I CB 2.052 39.971 38.000 -0.134 0.000 1.289 238 I HN 0.527 nan 8.210 nan 0.000 0.436 239 Q N 3.295 122.971 119.800 -0.207 0.000 2.230 239 Q HA 0.535 4.876 4.340 0.002 0.000 0.248 239 Q C -0.121 175.675 176.000 -0.339 0.000 0.915 239 Q CA -0.300 55.276 55.803 -0.379 0.000 0.900 239 Q CB 2.328 30.626 28.738 -0.733 0.000 1.229 239 Q HN 0.880 nan 8.270 nan 0.000 0.439 240 G N 0.740 109.343 108.800 -0.327 0.000 2.537 240 G HA2 0.581 4.542 3.960 0.002 0.000 0.308 240 G HA3 0.581 4.542 3.960 0.002 0.000 0.308 240 G C -0.121 174.677 174.900 -0.169 0.000 1.237 240 G CA -0.477 44.512 45.100 -0.185 0.000 0.968 240 G HN 0.594 nan 8.290 nan 0.000 0.481 241 M N 0.302 119.874 119.600 -0.048 0.000 2.416 241 M HA 0.168 4.649 4.480 0.002 0.000 0.337 241 M C 1.102 177.427 176.300 0.041 0.000 1.074 241 M CA -0.255 55.072 55.300 0.045 0.000 0.968 241 M CB 0.953 33.620 32.600 0.111 0.000 1.472 241 M HN 0.507 nan 8.290 nan 0.000 0.539 242 D N 1.976 122.387 120.400 0.019 0.000 2.117 242 D HA 0.018 4.659 4.640 0.002 0.000 0.197 242 D C -1.831 174.498 176.300 0.049 0.000 0.987 242 D CA 1.217 55.235 54.000 0.031 0.000 0.829 242 D CB -0.413 40.401 40.800 0.024 0.000 0.961 242 D HN 0.204 nan 8.370 nan 0.000 0.460 243 P HA 0.265 nan 4.420 nan 0.000 0.285 243 P C -0.940 176.401 177.300 0.068 0.000 1.285 243 P CA -0.554 62.597 63.100 0.085 0.000 0.854 243 P CB 2.198 33.969 31.700 0.118 0.000 1.180 244 V N -1.561 118.426 119.914 0.122 0.000 3.130 244 V HA 0.581 4.702 4.120 0.002 0.000 0.310 244 V C -1.433 174.866 176.094 0.341 0.000 1.158 244 V CA -0.465 61.906 62.300 0.118 0.000 1.029 244 V CB 2.453 34.330 31.823 0.089 0.000 1.057 244 V HN 0.494 nan 8.190 nan 0.000 0.436 245 W N 1.577 122.882 121.300 0.007 0.000 2.781 245 W HA 0.735 5.397 4.660 0.002 0.000 0.333 245 W C -0.640 175.859 176.519 -0.033 0.000 1.047 245 W CA -1.118 56.224 57.345 -0.004 0.000 1.236 245 W CB 1.847 31.310 29.460 0.005 0.000 1.394 245 W HN 0.578 nan 8.180 nan 0.000 0.466 246 V N 1.219 121.214 119.914 0.135 0.000 2.384 246 V HA 0.784 4.906 4.120 0.002 0.000 0.287 246 V C -0.224 175.860 176.094 -0.017 0.000 1.020 246 V CA -0.369 61.954 62.300 0.037 0.000 0.850 246 V CB 1.163 32.982 31.823 -0.006 0.000 0.987 246 V HN 0.377 nan 8.190 nan 0.000 0.436 247 T N 5.334 119.878 114.554 -0.016 0.000 2.795 247 T HA 0.819 5.170 4.350 0.002 0.000 0.282 247 T C 0.093 174.756 174.700 -0.062 0.000 0.980 247 T CA 0.190 62.263 62.100 -0.046 0.000 1.012 247 T CB 1.407 70.264 68.868 -0.018 0.000 0.936 247 T HN 1.387 nan 8.240 nan 0.000 0.457 248 A N 2.082 124.851 122.820 -0.084 0.000 2.413 248 A HA 0.910 5.231 4.320 0.002 0.000 0.307 248 A C -0.607 176.910 177.584 -0.111 0.000 1.087 248 A CA -0.923 51.067 52.037 -0.079 0.000 0.750 248 A CB 1.324 20.263 19.000 -0.100 0.000 1.296 248 A HN 0.989 nan 8.150 nan 0.000 0.423 249 A N 1.881 124.649 122.820 -0.087 0.000 2.318 249 A HA 0.727 5.048 4.320 0.002 0.000 0.324 249 A C -0.513 176.934 177.584 -0.227 0.000 1.170 249 A CA -0.399 51.582 52.037 -0.093 0.000 0.810 249 A CB 0.343 19.343 19.000 -0.001 0.000 1.198 249 A HN 0.658 nan 8.150 nan 0.000 0.484 250 I N 1.841 122.260 120.570 -0.251 0.000 2.846 250 I HA 0.469 4.640 4.170 0.002 0.000 0.307 250 I C -2.616 173.445 176.117 -0.094 0.000 1.053 250 I CA -2.553 58.552 61.300 -0.325 0.000 1.050 250 I CB 1.503 39.288 38.000 -0.357 0.000 1.239 250 I HN 0.300 nan 8.210 nan 0.000 0.439 251 P HA 0.195 nan 4.420 nan 0.000 0.276 251 P C 0.497 177.792 177.300 -0.008 0.000 1.244 251 P CA -0.307 62.803 63.100 0.017 0.000 0.801 251 P CB 0.679 32.410 31.700 0.051 0.000 1.006 252 E N 0.254 120.468 120.200 0.023 0.000 2.051 252 E HA -0.179 4.172 4.350 0.002 0.000 0.192 252 E C 1.543 178.171 176.600 0.047 0.000 0.991 252 E CA 1.776 58.205 56.400 0.049 0.000 0.799 252 E CB -0.896 28.850 29.700 0.077 0.000 0.748 252 E HN 0.428 nan 8.360 nan 0.000 0.449 253 S N 1.753 117.459 115.700 0.011 0.000 2.368 253 S HA -0.176 4.295 4.470 0.002 0.000 0.225 253 S C 2.210 176.513 174.600 -0.496 0.000 1.030 253 S CA 1.012 59.134 58.200 -0.131 0.000 0.999 253 S CB -0.618 62.548 63.200 -0.056 0.000 0.844 253 S HN 0.332 nan 8.310 nan 0.000 0.459 254 I N 1.987 122.393 120.570 -0.272 0.000 2.286 254 I HA -0.144 4.027 4.170 0.002 0.000 0.248 254 I C 2.573 178.513 176.117 -0.295 0.000 1.115 254 I CA 1.258 62.387 61.300 -0.285 0.000 1.392 254 I CB -0.514 37.432 38.000 -0.089 0.000 1.065 254 I HN 0.344 nan 8.210 nan 0.000 0.418 255 A N 1.753 124.470 122.820 -0.171 0.000 1.902 255 A HA -0.251 4.070 4.320 0.002 0.000 0.217 255 A C 2.275 179.873 177.584 0.023 0.000 1.181 255 A CA 1.644 53.633 52.037 -0.080 0.000 0.623 255 A CB -1.372 17.619 19.000 -0.015 0.000 0.818 255 A HN 0.848 nan 8.150 nan 0.000 0.443 256 W N -0.227 121.074 121.300 0.002 0.000 2.363 256 W HA -0.125 4.536 4.660 0.002 0.000 0.296 256 W C 1.212 177.727 176.519 -0.007 0.000 1.212 256 W CA 0.628 57.978 57.345 0.009 0.000 1.260 256 W CB -0.567 28.901 29.460 0.013 0.000 1.131 256 W HN 0.156 nan 8.180 nan 0.000 0.530 257 L N 1.627 122.490 121.223 -0.599 0.000 2.127 257 L HA -0.178 4.163 4.340 0.002 0.000 0.211 257 L C 2.629 179.424 176.870 -0.126 0.000 1.089 257 L CA 1.278 55.690 54.840 -0.714 0.000 0.757 257 L CB -1.515 39.958 42.059 -0.977 0.000 0.899 257 L HN -0.037 nan 8.230 nan 0.000 0.434 258 V N -0.175 119.660 119.914 -0.132 0.000 2.315 258 V HA -0.382 3.739 4.120 0.002 0.000 0.237 258 V C 1.230 177.215 176.094 -0.181 0.000 0.979 258 V CA 1.766 63.946 62.300 -0.199 0.000 1.057 258 V CB -0.674 31.021 31.823 -0.213 0.000 0.710 258 V HN 0.565 nan 8.190 nan 0.000 0.515 259 K N -1.040 119.338 120.400 -0.036 0.000 2.672 259 K HA -0.202 4.119 4.320 0.002 0.000 0.595 259 K C -0.072 176.453 176.600 -0.125 0.000 2.575 259 K CA 0.516 56.843 56.287 0.067 0.000 1.990 259 K CB -0.688 31.831 32.500 0.033 0.000 2.751 259 K HN 0.826 nan 8.250 nan 0.000 0.150 260 D N -0.061 120.370 120.400 0.052 0.000 2.806 260 D HA -0.231 4.410 4.640 0.002 0.000 0.055 260 D C 0.847 176.947 176.300 -0.332 0.000 0.874 260 D CA 1.380 55.381 54.000 0.001 0.000 0.316 260 D CB 0.282 41.065 40.800 -0.028 0.000 0.782 260 D HN 0.584 nan 8.370 nan 0.000 0.288 261 A N 3.147 125.964 122.820 -0.005 0.000 2.019 261 A HA -0.127 4.194 4.320 0.002 0.000 0.219 261 A C 2.310 179.924 177.584 0.051 0.000 1.164 261 A CA 2.266 54.406 52.037 0.172 0.000 0.644 261 A CB -0.607 18.692 19.000 0.497 0.000 0.805 261 A HN 0.804 nan 8.150 nan 0.000 0.449 262 S N 0.834 116.507 115.700 -0.044 0.000 2.383 262 S HA -0.239 4.232 4.470 0.002 0.000 0.229 262 S C 1.480 176.006 174.600 -0.124 0.000 1.030 262 S CA 1.085 59.263 58.200 -0.037 0.000 1.002 262 S CB -0.774 62.405 63.200 -0.035 0.000 0.829 262 S HN 0.815 nan 8.310 nan 0.000 0.467 263 Q N 0.386 119.984 119.800 -0.336 0.000 3.179 263 Q HA 0.401 4.742 4.340 0.002 0.000 0.328 263 Q C -1.112 174.602 176.000 -0.476 0.000 1.336 263 Q CA -0.143 55.448 55.803 -0.354 0.000 0.939 263 Q CB -0.975 27.505 28.738 -0.430 0.000 1.658 263 Q HN 0.618 nan 8.270 nan 0.000 0.486 264 F N 0.421 120.335 119.950 -0.060 0.000 2.607 264 F HA 0.349 4.877 4.527 0.002 0.000 0.322 264 F C -0.570 175.229 175.800 -0.003 0.000 1.176 264 F CA -0.982 56.988 58.000 -0.050 0.000 0.977 264 F CB 2.699 41.649 39.000 -0.082 0.000 1.242 264 F HN 0.006 nan 8.300 nan 0.000 0.465 265 T N 5.176 119.870 114.554 0.234 0.000 2.841 265 T HA 0.422 4.773 4.350 0.002 0.000 0.285 265 T C -1.443 173.342 174.700 0.142 0.000 0.991 265 T CA -0.536 61.653 62.100 0.149 0.000 0.966 265 T CB 1.739 70.672 68.868 0.109 0.000 0.962 265 T HN 0.234 nan 8.240 nan 0.000 0.438 266 L N 3.344 124.632 121.223 0.108 0.000 2.341 266 L HA 0.844 5.185 4.340 0.002 0.000 0.278 266 L C -0.215 176.713 176.870 0.098 0.000 1.005 266 L CA -0.028 54.868 54.840 0.093 0.000 0.818 266 L CB 1.456 43.545 42.059 0.051 0.000 1.259 266 L HN 0.782 nan 8.230 nan 0.000 0.418 267 T N 3.987 118.616 114.554 0.126 0.000 2.883 267 T HA 0.770 5.121 4.350 0.002 0.000 0.301 267 T C -1.379 173.408 174.700 0.144 0.000 1.158 267 T CA -0.270 61.906 62.100 0.127 0.000 1.007 267 T CB 1.537 70.487 68.868 0.136 0.000 1.186 267 T HN 0.658 nan 8.240 nan 0.000 0.499 268 V N 2.332 122.318 119.914 0.120 0.000 2.841 268 V HA 0.693 4.814 4.120 0.002 0.000 0.310 268 V C -2.405 173.759 176.094 0.117 0.000 1.090 268 V CA -1.974 60.390 62.300 0.106 0.000 0.930 268 V CB 1.366 33.218 31.823 0.048 0.000 1.014 268 V HN 0.638 nan 8.190 nan 0.000 0.425 269 P HA 0.135 nan 4.420 nan 0.000 0.212 269 P C 0.624 177.963 177.300 0.064 0.000 1.180 269 P CA 1.890 65.060 63.100 0.117 0.000 0.902 269 P CB 0.039 31.815 31.700 0.126 0.000 0.778 270 A N -0.407 122.437 122.820 0.039 0.000 2.388 270 A HA 0.449 4.770 4.320 0.002 0.000 0.257 270 A C 0.539 178.137 177.584 0.024 0.000 1.095 270 A CA -0.111 51.941 52.037 0.025 0.000 0.791 270 A CB -0.423 18.583 19.000 0.011 0.000 1.029 270 A HN 0.144 nan 8.150 nan 0.000 0.489 271 R N -0.143 120.370 120.500 0.022 0.000 3.422 271 R HA -0.103 4.238 4.340 0.002 0.000 0.267 271 R C -2.277 174.039 176.300 0.027 0.000 1.074 271 R CA 0.726 56.839 56.100 0.021 0.000 0.718 271 R CB -2.282 28.026 30.300 0.014 0.000 1.157 271 R HN 0.685 nan 8.270 nan 0.000 0.440 272 P HA 0.058 nan 4.420 nan 0.000 0.264 272 P C -0.142 177.177 177.300 0.032 0.000 1.183 272 P CA 0.274 63.397 63.100 0.039 0.000 0.763 272 P CB 0.746 32.470 31.700 0.039 0.000 0.807 273 D N 1.388 121.808 120.400 0.034 0.000 2.564 273 D HA 0.152 4.793 4.640 0.002 0.000 0.273 273 D C 1.278 177.595 176.300 0.030 0.000 1.192 273 D CA -0.775 53.243 54.000 0.030 0.000 1.080 273 D CB 1.005 41.823 40.800 0.031 0.000 1.160 273 D HN 0.143 nan 8.370 nan 0.000 0.607 274 K N -1.434 118.983 120.400 0.028 0.000 2.057 274 K HA -0.039 4.282 4.320 0.002 0.000 0.207 274 K C -0.014 176.605 176.600 0.031 0.000 1.049 274 K CA 1.614 57.916 56.287 0.026 0.000 0.931 274 K CB -0.038 32.477 32.500 0.025 0.000 0.714 274 K HN 0.670 nan 8.250 nan 0.000 0.440 275 T N -3.430 111.144 114.554 0.034 0.000 2.629 275 T HA 0.249 4.600 4.350 0.002 0.000 0.289 275 T C -1.484 173.241 174.700 0.042 0.000 1.899 275 T CA -1.120 61.004 62.100 0.040 0.000 0.967 275 T CB 0.249 69.142 68.868 0.042 0.000 2.011 275 T HN 0.008 nan 8.240 nan 0.000 0.495 276 L N 0.576 121.827 121.223 0.047 0.000 2.385 276 L HA 0.786 5.127 4.340 0.002 0.000 0.273 276 L C 0.415 177.318 176.870 0.054 0.000 0.990 276 L CA -1.165 53.704 54.840 0.048 0.000 0.821 276 L CB 1.798 43.884 42.059 0.046 0.000 1.279 276 L HN 1.053 nan 8.230 nan 0.000 0.412 277 T N -0.230 114.358 114.554 0.056 0.000 2.868 277 T HA 0.648 4.999 4.350 0.002 0.000 0.292 277 T C -0.176 174.565 174.700 0.069 0.000 1.028 277 T CA -0.398 61.740 62.100 0.064 0.000 1.059 277 T CB 1.542 70.447 68.868 0.062 0.000 0.991 277 T HN 0.321 nan 8.240 nan 0.000 0.531 278 I N 1.810 122.430 120.570 0.084 0.000 2.389 278 I HA 0.391 4.563 4.170 0.002 0.000 0.288 278 I C 1.312 177.492 176.117 0.105 0.000 0.999 278 I CA -0.830 60.519 61.300 0.081 0.000 1.129 278 I CB 1.930 39.985 38.000 0.092 0.000 1.288 278 I HN 0.807 nan 8.210 nan 0.000 0.444 279 R N 3.590 124.147 120.500 0.095 0.000 2.175 279 R HA 0.387 4.728 4.340 0.002 0.000 0.202 279 R C 0.532 176.884 176.300 0.087 0.000 1.018 279 R CA 0.141 56.295 56.100 0.091 0.000 1.029 279 R CB 0.327 30.675 30.300 0.080 0.000 0.959 279 R HN 0.317 nan 8.270 nan 0.000 0.480 280 K N 0.357 120.808 120.400 0.085 0.000 2.499 280 K HA 0.351 4.672 4.320 0.002 0.000 0.277 280 K C -2.131 174.536 176.600 0.112 0.000 1.025 280 K CA -0.944 55.363 56.287 0.032 0.000 0.900 280 K CB 1.543 34.023 32.500 -0.032 0.000 1.494 280 K HN 0.310 nan 8.250 nan 0.000 0.442 281 W N 0.552 121.815 121.300 -0.062 0.000 3.571 281 W HA 0.571 5.232 4.660 0.002 0.000 0.294 281 W C -1.715 174.751 176.519 -0.089 0.000 1.257 281 W CA -0.725 56.556 57.345 -0.106 0.000 1.206 281 W CB 0.833 30.264 29.460 -0.048 0.000 1.325 281 W HN 0.732 nan 8.180 nan 0.000 0.546 282 T N 2.244 116.951 114.554 0.255 0.000 2.889 282 T HA 0.545 4.896 4.350 0.002 0.000 0.315 282 T C -2.251 172.565 174.700 0.194 0.000 1.291 282 T CA -0.639 61.503 62.100 0.069 0.000 1.028 282 T CB 2.145 70.913 68.868 -0.166 0.000 1.235 282 T HN 0.646 nan 8.240 nan 0.000 0.491 283 L N 4.272 125.613 121.223 0.197 0.000 2.287 283 L HA 0.599 4.940 4.340 0.002 0.000 0.287 283 L C -0.523 176.375 176.870 0.047 0.000 1.022 283 L CA -1.059 53.868 54.840 0.145 0.000 0.814 283 L CB 0.937 43.127 42.059 0.218 0.000 1.217 283 L HN 0.631 nan 8.230 nan 0.000 0.420 284 L N 6.832 128.061 121.223 0.010 0.000 2.328 284 L HA 0.284 4.625 4.340 0.002 0.000 0.280 284 L C -1.488 175.390 176.870 0.013 0.000 1.111 284 L CA -1.689 53.149 54.840 -0.003 0.000 0.909 284 L CB 0.187 42.233 42.059 -0.022 0.000 1.277 284 L HN 0.467 nan 8.230 nan 0.000 0.433 285 P HA -0.232 nan 4.420 nan 0.000 0.221 285 P C 1.094 178.408 177.300 0.024 0.000 1.149 285 P CA 1.185 64.302 63.100 0.029 0.000 0.824 285 P CB 0.052 31.767 31.700 0.025 0.000 0.763 286 G N 0.515 109.326 108.800 0.018 0.000 2.305 286 G HA2 0.209 4.170 3.960 0.002 0.000 0.281 286 G HA3 0.209 4.170 3.960 0.002 0.000 0.281 286 G C 0.061 174.972 174.900 0.018 0.000 1.085 286 G CA -0.266 44.845 45.100 0.017 0.000 1.211 286 G HN 0.270 nan 8.290 nan 0.000 0.421 287 V N 1.984 121.910 119.914 0.021 0.000 2.397 287 V HA 0.182 4.303 4.120 0.002 0.000 0.262 287 V C -0.152 175.954 176.094 0.020 0.000 1.047 287 V CA -1.253 61.061 62.300 0.022 0.000 1.003 287 V CB 0.489 32.328 31.823 0.027 0.000 1.037 287 V HN 0.482 nan 8.190 nan 0.000 0.480 288 D N 5.605 126.016 120.400 0.018 0.000 2.569 288 D HA 0.089 4.730 4.640 0.002 0.000 0.254 288 D C 1.440 177.752 176.300 0.021 0.000 1.274 288 D CA 1.015 55.026 54.000 0.018 0.000 1.306 288 D CB 0.662 41.472 40.800 0.017 0.000 1.139 288 D HN 0.879 nan 8.370 nan 0.000 0.511 289 A N 1.619 124.451 122.820 0.021 0.000 2.186 289 A HA 0.018 4.339 4.320 0.002 0.000 0.219 289 A C 1.402 178.999 177.584 0.022 0.000 1.159 289 A CA 0.725 52.776 52.037 0.022 0.000 0.680 289 A CB -0.002 19.010 19.000 0.020 0.000 0.787 289 A HN 0.481 nan 8.150 nan 0.000 0.467 290 A N 0.670 123.502 122.820 0.021 0.000 2.457 290 A HA 0.517 4.838 4.320 0.002 0.000 0.298 290 A C 0.713 178.311 177.584 0.024 0.000 1.288 290 A CA 0.629 52.679 52.037 0.021 0.000 0.956 290 A CB -0.907 18.105 19.000 0.019 0.000 1.135 290 A HN 1.014 nan 8.150 nan 0.000 0.535 291 T N 0.307 114.877 114.554 0.026 0.000 0.541 291 T HA -0.156 4.195 4.350 0.002 0.000 0.774 291 T C 0.020 174.739 174.700 0.031 0.000 0.992 291 T CA 0.448 62.566 62.100 0.031 0.000 4.077 291 T CB -0.393 68.497 68.868 0.037 0.000 2.303 291 T HN 0.948 nan 8.240 nan 0.000 0.398 292 R N 1.621 122.142 120.500 0.035 0.000 2.748 292 R HA 0.546 4.887 4.340 0.002 0.000 0.283 292 R C -0.881 175.440 176.300 0.036 0.000 1.507 292 R CA -0.155 55.966 56.100 0.035 0.000 1.666 292 R CB 0.512 30.834 30.300 0.037 0.000 1.237 292 R HN 0.749 nan 8.270 nan 0.000 0.633 293 T N 1.169 115.741 114.554 0.030 0.000 2.876 293 T HA 0.479 4.830 4.350 0.002 0.000 0.289 293 T C -0.018 174.687 174.700 0.009 0.000 1.014 293 T CA -0.742 61.369 62.100 0.020 0.000 0.986 293 T CB 1.888 70.771 68.868 0.023 0.000 1.021 293 T HN 0.064 nan 8.240 nan 0.000 0.458 294 L N 1.748 122.969 121.223 -0.004 0.000 2.454 294 L HA 0.449 4.790 4.340 0.002 0.000 0.256 294 L C 0.426 177.281 176.870 -0.026 0.000 1.136 294 L CA -0.957 53.881 54.840 -0.003 0.000 0.804 294 L CB 0.886 42.950 42.059 0.007 0.000 1.181 294 L HN 0.441 nan 8.230 nan 0.000 0.469 295 Q N 1.769 121.556 119.800 -0.021 0.000 2.322 295 Q HA 0.402 4.743 4.340 0.002 0.000 0.265 295 Q C -1.211 174.762 176.000 -0.045 0.000 0.985 295 Q CA -0.707 55.074 55.803 -0.037 0.000 0.849 295 Q CB 2.436 31.159 28.738 -0.024 0.000 1.274 295 Q HN 0.347 nan 8.270 nan 0.000 0.449 296 L N 3.235 124.412 121.223 -0.076 0.000 2.282 296 L HA 0.428 4.769 4.340 0.002 0.000 0.288 296 L C -0.301 176.505 176.870 -0.107 0.000 1.033 296 L CA -0.208 54.588 54.840 -0.073 0.000 0.807 296 L CB 1.031 43.014 42.059 -0.126 0.000 1.209 296 L HN 0.441 nan 8.230 nan 0.000 0.423 297 R N 5.128 125.557 120.500 -0.118 0.000 2.312 297 R HA 0.640 4.981 4.340 0.002 0.000 0.311 297 R C -1.678 174.488 176.300 -0.223 0.000 1.004 297 R CA -0.506 55.444 56.100 -0.251 0.000 0.902 297 R CB 0.799 30.857 30.300 -0.404 0.000 1.073 297 R HN 0.718 nan 8.270 nan 0.000 0.457 298 L N 3.307 124.385 121.223 -0.241 0.000 2.409 298 L HA 0.344 4.685 4.340 0.002 0.000 0.272 298 L C -0.807 175.994 176.870 -0.116 0.000 0.980 298 L CA -0.580 54.161 54.840 -0.166 0.000 0.826 298 L CB 2.211 44.158 42.059 -0.187 0.000 1.268 298 L HN 0.692 nan 8.230 nan 0.000 0.407 299 E N 3.025 123.198 120.200 -0.045 0.000 2.035 299 E HA 0.360 4.711 4.350 0.002 0.000 0.271 299 E C -0.991 175.694 176.600 0.142 0.000 0.953 299 E CA -0.534 55.945 56.400 0.131 0.000 0.777 299 E CB 1.242 31.020 29.700 0.130 0.000 1.104 299 E HN 0.290 nan 8.360 nan 0.000 0.408 300 V N 3.461 123.474 119.914 0.165 0.000 3.133 300 V HA 0.008 4.129 4.120 0.002 0.000 0.305 300 V C 0.382 176.541 176.094 0.110 0.000 1.084 300 V CA -0.203 62.161 62.300 0.108 0.000 1.089 300 V CB 1.424 33.298 31.823 0.084 0.000 1.073 300 V HN 0.708 nan 8.190 nan 0.000 0.477 301 D N 2.493 122.942 120.400 0.081 0.000 2.619 301 D HA 0.086 4.727 4.640 0.002 0.000 0.224 301 D C 0.226 176.563 176.300 0.061 0.000 1.133 301 D CA -0.008 54.035 54.000 0.072 0.000 1.017 301 D CB -0.624 40.214 40.800 0.062 0.000 1.077 301 D HN 0.444 nan 8.370 nan 0.000 0.503 302 N N 0.934 119.673 118.700 0.065 0.000 3.050 302 N HA 0.151 4.892 4.740 0.002 0.000 0.289 302 N C 0.536 176.073 175.510 0.045 0.000 1.209 302 N CA -0.165 52.917 53.050 0.053 0.000 1.154 302 N CB 0.340 38.862 38.487 0.058 0.000 1.444 302 N HN 0.248 nan 8.380 nan 0.000 0.529 303 A N 1.488 124.332 122.820 0.039 0.000 1.924 303 A HA 0.123 4.444 4.320 0.002 0.000 0.211 303 A C 0.753 178.353 177.584 0.026 0.000 1.198 303 A CA 0.500 52.556 52.037 0.031 0.000 0.657 303 A CB 0.014 19.032 19.000 0.030 0.000 0.852 303 A HN 0.430 nan 8.150 nan 0.000 0.454 304 D N 0.006 120.422 120.400 0.026 0.000 2.433 304 D HA 0.429 5.070 4.640 0.002 0.000 0.255 304 D C -0.427 175.887 176.300 0.025 0.000 1.226 304 D CA -0.006 54.008 54.000 0.022 0.000 1.015 304 D CB 0.487 41.300 40.800 0.022 0.000 1.091 304 D HN 0.314 nan 8.370 nan 0.000 0.527 305 E N -0.698 119.515 120.200 0.022 0.000 2.182 305 E HA 0.581 4.932 4.350 0.002 0.000 0.258 305 E C -0.946 175.666 176.600 0.020 0.000 0.879 305 E CA -0.488 55.927 56.400 0.024 0.000 0.754 305 E CB 1.497 31.212 29.700 0.025 0.000 1.162 305 E HN 0.395 nan 8.360 nan 0.000 0.419 306 A N 4.678 127.510 122.820 0.018 0.000 2.554 306 A HA 0.271 4.592 4.320 0.002 0.000 0.266 306 A C -0.658 176.928 177.584 0.004 0.000 0.938 306 A CA -0.298 51.746 52.037 0.012 0.000 1.045 306 A CB 0.280 19.289 19.000 0.015 0.000 1.198 306 A HN 0.487 nan 8.150 nan 0.000 0.528 307 L N 0.843 122.066 121.223 0.001 0.000 2.346 307 L HA 0.622 4.963 4.340 0.002 0.000 0.276 307 L C -0.491 176.337 176.870 -0.070 0.000 1.006 307 L CA -0.683 54.143 54.840 -0.023 0.000 0.817 307 L CB 1.993 44.049 42.059 -0.005 0.000 1.272 307 L HN 0.028 nan 8.230 nan 0.000 0.421 308 K N 2.435 122.766 120.400 -0.116 0.000 2.509 308 K HA 0.581 4.902 4.320 0.002 0.000 0.266 308 K C -2.766 173.689 176.600 -0.243 0.000 0.987 308 K CA -1.985 54.182 56.287 -0.200 0.000 0.868 308 K CB 2.430 34.856 32.500 -0.124 0.000 1.421 308 K HN 0.119 nan 8.250 nan 0.000 0.444 309 P HA 0.185 nan 4.420 nan 0.000 0.285 309 P C 0.443 177.656 177.300 -0.145 0.000 1.259 309 P CA 0.392 63.339 63.100 -0.255 0.000 0.794 309 P CB 0.695 32.205 31.700 -0.317 0.000 0.940 310 G N 1.960 110.694 108.800 -0.110 0.000 2.184 310 G HA2 -0.299 3.662 3.960 0.002 0.000 0.264 310 G HA3 -0.299 3.662 3.960 0.002 0.000 0.264 310 G C 0.457 175.308 174.900 -0.082 0.000 0.975 310 G CA -0.185 44.864 45.100 -0.085 0.000 0.642 310 G HN 0.412 nan 8.290 nan 0.000 0.536 311 M N -0.037 119.511 119.600 -0.086 0.000 2.162 311 M HA 0.101 4.582 4.480 0.002 0.000 0.273 311 M C 0.583 176.827 176.300 -0.093 0.000 1.189 311 M CA 0.624 55.879 55.300 -0.074 0.000 1.132 311 M CB -0.018 32.542 32.600 -0.067 0.000 1.358 311 M HN 0.169 nan 8.290 nan 0.000 0.430 312 N N 0.310 118.955 118.700 -0.092 0.000 2.405 312 N HA 0.703 5.444 4.740 0.002 0.000 0.299 312 N C -1.505 173.893 175.510 -0.186 0.000 1.075 312 N CA -0.257 52.697 53.050 -0.160 0.000 0.884 312 N CB 1.870 40.274 38.487 -0.140 0.000 1.194 312 N HN 0.670 nan 8.380 nan 0.000 0.491 313 A N 1.553 124.172 122.820 -0.335 0.000 2.517 313 A HA 0.593 4.914 4.320 0.002 0.000 0.297 313 A C -1.926 175.412 177.584 -0.410 0.000 1.050 313 A CA -0.702 51.188 52.037 -0.245 0.000 0.694 313 A CB 0.851 19.779 19.000 -0.119 0.000 1.277 313 A HN 0.637 nan 8.150 nan 0.000 0.400 314 W N 1.655 122.972 121.300 0.028 0.000 2.429 314 W HA 0.572 5.233 4.660 0.002 0.000 0.314 314 W C -0.325 176.228 176.519 0.057 0.000 1.062 314 W CA -0.449 56.921 57.345 0.042 0.000 1.211 314 W CB 1.937 31.413 29.460 0.026 0.000 1.305 314 W HN 0.565 nan 8.180 nan 0.000 0.476 315 L N 4.684 126.105 121.223 0.329 0.000 2.264 315 L HA 0.350 4.691 4.340 0.002 0.000 0.287 315 L C -0.051 177.016 176.870 0.330 0.000 1.039 315 L CA -0.604 54.388 54.840 0.253 0.000 0.829 315 L CB 0.724 42.888 42.059 0.175 0.000 1.211 315 L HN 0.515 nan 8.230 nan 0.000 0.427 316 Q N 4.995 124.946 119.800 0.253 0.000 2.390 316 Q HA 0.504 4.845 4.340 0.002 0.000 0.249 316 Q C -1.320 174.817 176.000 0.229 0.000 0.996 316 Q CA -0.678 55.251 55.803 0.209 0.000 0.899 316 Q CB 1.313 30.127 28.738 0.127 0.000 1.216 316 Q HN 0.695 nan 8.270 nan 0.000 0.465 317 L N 3.584 124.972 121.223 0.275 0.000 2.282 317 L HA 0.597 4.938 4.340 0.002 0.000 0.288 317 L C -1.420 175.511 176.870 0.103 0.000 1.033 317 L CA -0.381 54.601 54.840 0.237 0.000 0.807 317 L CB 1.159 43.398 42.059 0.299 0.000 1.209 317 L HN 0.617 nan 8.230 nan 0.000 0.423 318 N N 2.935 121.621 118.700 -0.024 0.000 2.524 318 N HA 0.559 5.300 4.740 0.002 0.000 0.283 318 N C -0.240 175.197 175.510 -0.121 0.000 1.142 318 N CA -0.248 52.768 53.050 -0.056 0.000 0.984 318 N CB 1.463 39.904 38.487 -0.076 0.000 1.155 318 N HN 0.795 nan 8.380 nan 0.000 0.467 319 T N -0.119 114.383 114.554 -0.085 0.000 2.773 319 T HA 0.919 5.270 4.350 0.002 0.000 0.278 319 T C -0.722 173.833 174.700 -0.242 0.000 1.011 319 T CA -0.447 61.560 62.100 -0.155 0.000 1.014 319 T CB 1.685 70.492 68.868 -0.103 0.000 1.293 319 T HN 0.567 nan 8.240 nan 0.000 0.554 320 A N 0.596 123.203 122.820 -0.355 0.000 2.529 320 A HA 0.902 5.223 4.320 0.002 0.000 0.296 320 A C -1.162 176.107 177.584 -0.525 0.000 1.205 320 A CA -0.520 51.247 52.037 -0.449 0.000 0.671 320 A CB 1.123 19.968 19.000 -0.259 0.000 1.301 320 A HN 1.136 nan 8.150 nan 0.000 0.450 321 S N -0.617 114.844 115.700 -0.398 0.000 2.588 321 S HA 0.616 5.087 4.470 0.002 0.000 0.275 321 S C -0.890 173.618 174.600 -0.152 0.000 1.130 321 S CA -0.679 57.354 58.200 -0.278 0.000 0.855 321 S CB 1.085 64.093 63.200 -0.319 0.000 1.116 321 S HN 0.726 nan 8.310 nan 0.000 0.472 322 E N 1.773 121.917 120.200 -0.093 0.000 2.568 322 E HA 0.096 4.447 4.350 0.002 0.000 0.262 322 E C -2.290 174.241 176.600 -0.115 0.000 0.961 322 E CA -0.680 55.675 56.400 -0.074 0.000 0.945 322 E CB -0.197 29.470 29.700 -0.056 0.000 0.924 322 E HN 0.362 nan 8.360 nan 0.000 0.467 323 P HA 0.009 nan 4.420 nan 0.000 0.269 323 P C -0.540 176.700 177.300 -0.101 0.000 1.209 323 P CA 0.805 63.852 63.100 -0.090 0.000 0.776 323 P CB 0.620 32.283 31.700 -0.062 0.000 0.876 324 M N 0.966 120.508 119.600 -0.096 0.000 2.755 324 M HA 0.362 4.843 4.480 0.002 0.000 0.273 324 M C -0.788 175.480 176.300 -0.054 0.000 1.278 324 M CA -0.998 54.244 55.300 -0.097 0.000 0.819 324 M CB 1.397 33.901 32.600 -0.159 0.000 1.694 324 M HN -0.008 nan 8.290 nan 0.000 0.460 325 L N 2.281 123.484 121.223 -0.034 0.000 2.319 325 L HA 0.472 4.813 4.340 0.002 0.000 0.280 325 L C -1.094 175.775 176.870 -0.003 0.000 1.099 325 L CA -0.200 54.632 54.840 -0.013 0.000 0.828 325 L CB -0.032 42.027 42.059 -0.001 0.000 1.150 325 L HN 0.425 nan 8.230 nan 0.000 0.442 326 L N 5.288 126.511 121.223 -0.001 0.000 2.325 326 L HA 0.555 4.896 4.340 0.002 0.000 0.281 326 L C -0.362 176.514 176.870 0.009 0.000 1.004 326 L CA -0.730 54.113 54.840 0.006 0.000 0.823 326 L CB 1.907 43.966 42.059 -0.001 0.000 1.236 326 L HN 0.531 nan 8.230 nan 0.000 0.415 327 I N 2.297 122.876 120.570 0.015 0.000 2.750 327 I HA 0.653 4.824 4.170 0.002 0.000 0.308 327 I C -2.595 173.529 176.117 0.011 0.000 1.016 327 I CA -2.718 58.589 61.300 0.012 0.000 1.098 327 I CB 1.411 39.420 38.000 0.014 0.000 1.279 327 I HN 0.220 nan 8.210 nan 0.000 0.454 328 P HA 0.300 nan 4.420 nan 0.000 0.232 328 P C 0.466 177.769 177.300 0.004 0.000 1.814 328 P CA -0.079 63.025 63.100 0.005 0.000 1.085 328 P CB 0.536 32.237 31.700 0.001 0.000 1.901 329 S N 1.580 117.285 115.700 0.009 0.000 2.938 329 S HA -0.402 4.069 4.470 0.002 0.000 0.383 329 S C 1.787 176.386 174.600 -0.000 0.000 1.557 329 S CA 2.243 60.447 58.200 0.007 0.000 1.072 329 S CB -1.221 61.984 63.200 0.007 0.000 1.155 329 S HN 0.514 nan 8.310 nan 0.000 0.463 330 Q N 0.280 120.078 119.800 -0.004 0.000 2.124 330 Q HA -0.001 4.340 4.340 0.002 0.000 0.202 330 Q C 2.488 178.481 176.000 -0.012 0.000 0.977 330 Q CA 1.413 57.211 55.803 -0.009 0.000 0.850 330 Q CB -0.294 28.439 28.738 -0.009 0.000 0.901 330 Q HN 0.761 nan 8.270 nan 0.000 0.429 331 A N 0.725 123.539 122.820 -0.010 0.000 2.209 331 A HA 0.014 4.335 4.320 0.002 0.000 0.212 331 A C 0.984 178.561 177.584 -0.011 0.000 1.158 331 A CA 0.100 52.128 52.037 -0.014 0.000 0.742 331 A CB -0.285 18.706 19.000 -0.014 0.000 0.790 331 A HN 0.372 nan 8.150 nan 0.000 0.472 332 L N 0.522 121.741 121.223 -0.007 0.000 2.265 332 L HA 0.616 4.957 4.340 0.002 0.000 0.288 332 L C -1.190 175.675 176.870 -0.009 0.000 1.058 332 L CA -0.418 54.420 54.840 -0.003 0.000 0.809 332 L CB 0.713 42.775 42.059 0.005 0.000 1.179 332 L HN 0.171 nan 8.230 nan 0.000 0.429 333 I N 4.697 125.261 120.570 -0.010 0.000 2.498 333 I HA 0.368 4.539 4.170 0.002 0.000 0.290 333 I C -1.140 174.970 176.117 -0.011 0.000 1.032 333 I CA -0.593 60.697 61.300 -0.015 0.000 1.073 333 I CB 2.072 40.056 38.000 -0.026 0.000 1.251 333 I HN 0.653 nan 8.210 nan 0.000 0.426 334 D N 2.354 122.747 120.400 -0.012 0.000 2.477 334 D HA 0.564 5.205 4.640 0.002 0.000 0.234 334 D C 0.025 176.315 176.300 -0.017 0.000 1.048 334 D CA -0.501 53.492 54.000 -0.012 0.000 0.959 334 D CB 2.057 42.851 40.800 -0.009 0.000 1.408 334 D HN 0.525 nan 8.370 nan 0.000 0.496 335 T N -2.819 111.726 114.554 -0.016 0.000 3.130 335 T HA 0.499 4.850 4.350 0.002 0.000 0.288 335 T C 0.815 175.506 174.700 -0.016 0.000 0.936 335 T CA 0.124 62.213 62.100 -0.018 0.000 0.897 335 T CB 0.466 69.322 68.868 -0.020 0.000 1.178 335 T HN 0.576 nan 8.240 nan 0.000 0.543 336 G N 0.833 109.625 108.800 -0.014 0.000 3.359 336 G HA2 0.479 4.440 3.960 0.002 0.000 0.187 336 G HA3 0.479 4.440 3.960 0.002 0.000 0.187 336 G C 0.578 175.471 174.900 -0.012 0.000 1.294 336 G CA 0.294 45.386 45.100 -0.012 0.000 0.769 336 G HN 0.074 nan 8.290 nan 0.000 0.733 337 S N 0.466 116.161 115.700 -0.009 0.000 2.492 337 S HA 0.119 4.590 4.470 0.002 0.000 0.218 337 S C 0.870 175.468 174.600 -0.004 0.000 1.016 337 S CA 0.100 58.295 58.200 -0.007 0.000 0.916 337 S CB -0.165 63.032 63.200 -0.007 0.000 0.791 337 S HN 0.586 nan 8.310 nan 0.000 0.513 338 E N 1.972 122.170 120.200 -0.003 0.000 2.442 338 E HA -0.019 4.332 4.350 0.002 0.000 0.262 338 E C -0.544 176.055 176.600 -0.001 0.000 1.004 338 E CA 0.592 56.992 56.400 -0.000 0.000 0.928 338 E CB 0.317 30.017 29.700 -0.001 0.000 0.937 338 E HN 0.123 nan 8.360 nan 0.000 0.446 339 Q N 2.298 122.099 119.800 0.003 0.000 4.082 339 Q HA 0.159 4.500 4.340 0.002 0.000 0.180 339 Q C -0.964 175.041 176.000 0.008 0.000 0.863 339 Q CA -0.151 55.654 55.803 0.003 0.000 0.772 339 Q CB 0.620 29.360 28.738 0.004 0.000 1.527 339 Q HN 0.825 nan 8.270 nan 0.000 0.441 340 R N -1.552 118.953 120.500 0.007 0.000 3.974 340 R HA 0.602 4.943 4.340 0.002 0.000 0.258 340 R C -0.770 175.537 176.300 0.011 0.000 0.895 340 R CA -0.171 55.936 56.100 0.012 0.000 0.725 340 R CB -0.242 30.069 30.300 0.018 0.000 1.848 340 R HN 0.109 nan 8.270 nan 0.000 0.416 341 V N -3.068 116.857 119.914 0.019 0.000 3.276 341 V HA 0.598 4.719 4.120 0.002 0.000 0.288 341 V C -1.186 174.927 176.094 0.032 0.000 1.727 341 V CA -1.201 61.111 62.300 0.020 0.000 1.022 341 V CB 1.350 33.180 31.823 0.011 0.000 1.162 341 V HN 0.642 nan 8.190 nan 0.000 0.483 342 I N 1.335 121.919 120.570 0.024 0.000 2.336 342 I HA 0.596 4.767 4.170 0.002 0.000 0.292 342 I C -0.117 176.001 176.117 0.002 0.000 0.991 342 I CA -0.256 61.059 61.300 0.025 0.000 1.227 342 I CB 1.989 39.993 38.000 0.006 0.000 1.366 342 I HN 0.782 nan 8.210 nan 0.000 0.466 343 T N 5.409 119.988 114.554 0.041 0.000 2.767 343 T HA 0.440 4.791 4.350 0.002 0.000 0.284 343 T C 0.167 174.925 174.700 0.096 0.000 0.973 343 T CA -0.545 61.584 62.100 0.048 0.000 0.996 343 T CB 1.700 70.597 68.868 0.048 0.000 0.927 343 T HN 0.151 nan 8.240 nan 0.000 0.456 344 V N 2.237 122.205 119.914 0.090 0.000 3.214 344 V HA 0.270 4.391 4.120 0.002 0.000 0.306 344 V C 0.283 176.434 176.094 0.095 0.000 1.078 344 V CA -0.356 62.037 62.300 0.154 0.000 1.077 344 V CB 1.092 32.987 31.823 0.121 0.000 1.121 344 V HN 0.904 nan 8.190 nan 0.000 0.468 345 D N 0.819 121.267 120.400 0.079 0.000 2.673 345 D HA 0.448 5.089 4.640 0.002 0.000 0.278 345 D C 1.091 177.404 176.300 0.022 0.000 1.393 345 D CA 0.542 54.564 54.000 0.037 0.000 0.805 345 D CB 0.781 41.593 40.800 0.019 0.000 1.110 345 D HN 0.739 nan 8.370 nan 0.000 0.476 346 A N 0.508 123.346 122.820 0.029 0.000 4.625 346 A HA -0.360 3.961 4.320 0.002 0.000 0.257 346 A C 1.370 178.956 177.584 0.004 0.000 0.700 346 A CA 2.174 54.222 52.037 0.018 0.000 1.106 346 A CB -1.594 17.412 19.000 0.010 0.000 1.082 346 A HN 0.276 nan 8.150 nan 0.000 0.700 347 D N -0.510 119.885 120.400 -0.008 0.000 2.371 347 D HA 0.344 4.985 4.640 0.002 0.000 0.221 347 D C 1.621 177.882 176.300 -0.065 0.000 0.986 347 D CA 1.938 55.916 54.000 -0.037 0.000 0.899 347 D CB -0.455 40.314 40.800 -0.051 0.000 0.902 347 D HN 1.692 nan 8.370 nan 0.000 0.530 348 G N 1.297 110.078 108.800 -0.031 0.000 2.179 348 G HA2 -0.366 3.595 3.960 0.002 0.000 0.257 348 G HA3 -0.366 3.595 3.960 0.002 0.000 0.257 348 G C 0.158 174.876 174.900 -0.303 0.000 1.010 348 G CA 0.415 45.486 45.100 -0.049 0.000 0.736 348 G HN 0.533 nan 8.290 nan 0.000 0.513 349 R N -1.038 119.321 120.500 -0.235 0.000 2.445 349 R HA 0.766 5.107 4.340 0.002 0.000 0.308 349 R C -0.245 175.971 176.300 -0.139 0.000 0.961 349 R CA -1.082 54.777 56.100 -0.402 0.000 0.862 349 R CB 1.100 31.276 30.300 -0.207 0.000 1.144 349 R HN -0.029 nan 8.270 nan 0.000 0.447 350 F N 1.730 121.616 119.950 -0.105 0.000 2.362 350 F HA 0.723 5.251 4.527 0.002 0.000 0.311 350 F C 0.654 176.436 175.800 -0.030 0.000 1.161 350 F CA -1.300 56.648 58.000 -0.085 0.000 1.085 350 F CB 0.814 39.715 39.000 -0.166 0.000 1.311 350 F HN 0.413 nan 8.300 nan 0.000 0.524 351 V N 0.261 120.310 119.914 0.227 0.000 3.279 351 V HA 0.584 4.705 4.120 0.002 0.000 0.281 351 V C -3.035 173.127 176.094 0.113 0.000 1.601 351 V CA -1.773 60.607 62.300 0.133 0.000 1.044 351 V CB 2.661 34.537 31.823 0.087 0.000 1.205 351 V HN 0.539 nan 8.190 nan 0.000 0.464 352 P HA 0.592 nan 4.420 nan 0.000 0.298 352 P C -1.812 175.518 177.300 0.050 0.000 1.314 352 P CA -0.534 62.607 63.100 0.068 0.000 0.854 352 P CB 1.236 32.972 31.700 0.061 0.000 1.019 353 K N 2.506 122.931 120.400 0.042 0.000 2.397 353 K HA 0.370 4.691 4.320 0.002 0.000 0.253 353 K C -0.399 176.218 176.600 0.028 0.000 0.932 353 K CA -0.745 55.563 56.287 0.034 0.000 0.795 353 K CB 2.642 35.161 32.500 0.032 0.000 1.159 353 K HN 0.394 nan 8.250 nan 0.000 0.424 354 R N 2.582 123.097 120.500 0.025 0.000 2.235 354 R HA 0.212 4.553 4.340 0.002 0.000 0.338 354 R C 0.138 176.452 176.300 0.023 0.000 1.087 354 R CA -0.398 55.716 56.100 0.022 0.000 0.948 354 R CB 0.277 30.588 30.300 0.019 0.000 1.099 354 R HN 0.436 nan 8.270 nan 0.000 0.483 355 V N 1.106 121.035 119.914 0.024 0.000 2.973 355 V HA 0.884 5.006 4.120 0.002 0.000 0.314 355 V C -0.185 175.927 176.094 0.030 0.000 1.066 355 V CA -0.851 61.466 62.300 0.029 0.000 1.021 355 V CB 1.678 33.519 31.823 0.030 0.000 1.076 355 V HN 0.722 nan 8.190 nan 0.000 0.462 356 A N 3.017 125.862 122.820 0.041 0.000 2.330 356 A HA 0.859 5.180 4.320 0.002 0.000 0.327 356 A C -0.084 177.538 177.584 0.063 0.000 1.155 356 A CA -0.237 51.826 52.037 0.043 0.000 0.803 356 A CB 1.359 20.389 19.000 0.051 0.000 1.208 356 A HN 1.924 nan 8.150 nan 0.000 0.477 357 V N -0.460 119.485 119.914 0.050 0.000 3.369 357 V HA 0.729 4.850 4.120 0.002 0.000 0.309 357 V C 0.613 176.781 176.094 0.123 0.000 1.069 357 V CA -0.056 62.293 62.300 0.082 0.000 1.042 357 V CB 0.915 32.767 31.823 0.050 0.000 1.192 357 V HN 1.012 nan 8.190 nan 0.000 0.447 358 F N -0.245 119.714 119.950 0.015 0.000 1.965 358 F HA 0.403 4.932 4.527 0.002 0.000 0.237 358 F C 0.560 176.371 175.800 0.017 0.000 1.132 358 F CA 0.552 58.564 58.000 0.020 0.000 1.272 358 F CB 0.506 39.525 39.000 0.032 0.000 1.657 358 F HN 0.705 nan 8.300 nan 0.000 0.525 359 Q N 0.835 120.906 119.800 0.451 0.000 2.605 359 Q HA 0.786 5.127 4.340 0.002 0.000 0.296 359 Q C -1.631 174.464 176.000 0.158 0.000 1.056 359 Q CA -1.306 54.644 55.803 0.245 0.000 0.778 359 Q CB 2.516 31.427 28.738 0.287 0.000 1.497 359 Q HN 0.294 nan 8.270 nan 0.000 0.443 360 A N 0.572 123.439 122.820 0.079 0.000 2.515 360 A HA 0.904 5.225 4.320 0.002 0.000 0.296 360 A C -1.028 176.574 177.584 0.029 0.000 1.094 360 A CA -0.104 51.964 52.037 0.052 0.000 0.718 360 A CB 2.147 21.157 19.000 0.017 0.000 1.307 360 A HN 1.100 nan 8.150 nan 0.000 0.408 361 S N 0.714 116.438 115.700 0.040 0.000 2.669 361 S HA 0.414 4.885 4.470 0.002 0.000 0.304 361 S C 0.060 174.685 174.600 0.043 0.000 1.021 361 S CA 0.485 58.702 58.200 0.027 0.000 0.854 361 S CB 0.812 64.046 63.200 0.057 0.000 1.048 361 S HN 1.318 nan 8.310 nan 0.000 0.452 362 Q N 1.483 121.294 119.800 0.018 0.000 2.374 362 Q HA -0.267 4.074 4.340 0.002 0.000 0.154 362 Q C 1.034 177.042 176.000 0.014 0.000 1.717 362 Q CA 2.635 58.451 55.803 0.021 0.000 1.142 362 Q CB -1.812 26.954 28.738 0.048 0.000 1.099 362 Q HN 1.994 nan 8.270 nan 0.000 0.912 363 G N -1.050 107.762 108.800 0.020 0.000 4.491 363 G HA2 0.245 4.206 3.960 0.002 0.000 0.216 363 G HA3 0.245 4.206 3.960 0.002 0.000 0.216 363 G C -0.238 174.671 174.900 0.016 0.000 0.705 363 G CA 0.430 45.537 45.100 0.012 0.000 0.832 363 G HN 0.692 nan 8.290 nan 0.000 0.602 364 V N -0.758 119.172 119.914 0.027 0.000 3.102 364 V HA 0.978 5.099 4.120 0.002 0.000 0.312 364 V C -0.272 175.847 176.094 0.042 0.000 1.135 364 V CA -0.109 62.208 62.300 0.029 0.000 1.022 364 V CB 1.472 33.311 31.823 0.028 0.000 1.056 364 V HN 0.780 nan 8.190 nan 0.000 0.436 365 T N -0.237 114.342 114.554 0.041 0.000 2.856 365 T HA 0.882 5.233 4.350 0.002 0.000 0.283 365 T C -0.275 174.463 174.700 0.064 0.000 1.008 365 T CA -0.113 62.021 62.100 0.057 0.000 0.997 365 T CB 1.548 70.444 68.868 0.045 0.000 0.992 365 T HN 1.983 nan 8.240 nan 0.000 0.454 366 A N 3.507 126.384 122.820 0.096 0.000 2.291 366 A HA 0.670 4.991 4.320 0.002 0.000 0.311 366 A C -0.696 176.970 177.584 0.136 0.000 1.224 366 A CA -0.839 51.248 52.037 0.083 0.000 0.821 366 A CB 0.250 19.282 19.000 0.053 0.000 1.172 366 A HN 0.700 nan 8.150 nan 0.000 0.494 367 L N 2.388 123.667 121.223 0.093 0.000 2.349 367 L HA 0.442 4.783 4.340 0.002 0.000 0.275 367 L C 1.625 178.575 176.870 0.133 0.000 1.115 367 L CA 0.005 54.913 54.840 0.113 0.000 0.820 367 L CB 0.260 42.359 42.059 0.067 0.000 1.135 367 L HN 0.731 nan 8.230 nan 0.000 0.445 368 R N 0.353 120.975 120.500 0.203 0.000 2.112 368 R HA 0.251 4.592 4.340 0.002 0.000 0.216 368 R C -0.209 176.158 176.300 0.111 0.000 1.080 368 R CA 0.389 56.620 56.100 0.218 0.000 0.996 368 R CB 0.305 30.818 30.300 0.356 0.000 0.902 368 R HN 0.707 nan 8.270 nan 0.000 0.449 369 S N -2.552 113.201 115.700 0.088 0.000 2.541 369 S HA 0.597 5.068 4.470 0.002 0.000 0.271 369 S C 0.096 174.724 174.600 0.046 0.000 1.133 369 S CA -0.130 58.105 58.200 0.057 0.000 0.876 369 S CB 2.277 65.508 63.200 0.052 0.000 1.105 369 S HN 0.358 nan 8.310 nan 0.000 0.470 370 G N 0.926 109.747 108.800 0.035 0.000 3.876 370 G HA2 0.015 3.976 3.960 0.002 0.000 0.203 370 G HA3 0.015 3.976 3.960 0.002 0.000 0.203 370 G C -0.741 174.175 174.900 0.026 0.000 1.162 370 G CA -0.423 44.696 45.100 0.031 0.000 0.903 370 G HN 0.534 nan 8.290 nan 0.000 0.390 371 L N 1.022 122.260 121.223 0.025 0.000 2.301 371 L HA 0.876 5.217 4.340 0.002 0.000 0.264 371 L C 0.296 177.176 176.870 0.017 0.000 1.016 371 L CA -0.761 54.091 54.840 0.020 0.000 0.821 371 L CB 1.919 43.990 42.059 0.019 0.000 1.346 371 L HN 0.402 nan 8.230 nan 0.000 0.429 372 A N 0.294 123.123 122.820 0.014 0.000 2.311 372 A HA 0.449 4.770 4.320 0.002 0.000 0.334 372 A C -0.376 177.213 177.584 0.008 0.000 1.139 372 A CA -0.481 51.563 52.037 0.011 0.000 0.830 372 A CB 1.152 20.159 19.000 0.011 0.000 1.234 372 A HN 0.779 nan 8.150 nan 0.000 0.483 373 E N 0.055 120.257 120.200 0.005 0.000 2.415 373 E HA 0.345 4.696 4.350 0.002 0.000 0.262 373 E C 1.347 177.949 176.600 0.004 0.000 1.038 373 E CA 1.150 57.551 56.400 0.002 0.000 0.921 373 E CB 0.169 29.868 29.700 -0.001 0.000 0.950 373 E HN 1.524 nan 8.360 nan 0.000 0.438 374 G N 3.160 111.962 108.800 0.003 0.000 2.353 374 G HA2 -0.428 3.534 3.960 0.002 0.000 0.258 374 G HA3 -0.428 3.534 3.960 0.002 0.000 0.258 374 G C 0.328 175.233 174.900 0.007 0.000 1.013 374 G CA 0.650 45.753 45.100 0.004 0.000 0.622 374 G HN 0.689 nan 8.290 nan 0.000 0.535 375 E N 1.275 121.481 120.200 0.010 0.000 2.604 375 E HA 0.207 4.558 4.350 0.002 0.000 0.267 375 E C 0.785 177.393 176.600 0.013 0.000 0.970 375 E CA 0.547 56.955 56.400 0.013 0.000 0.956 375 E CB 0.321 30.030 29.700 0.015 0.000 0.939 375 E HN 0.363 nan 8.360 nan 0.000 0.465 376 K N 1.730 122.140 120.400 0.017 0.000 2.118 376 K HA 0.427 4.748 4.320 0.002 0.000 0.264 376 K C -0.862 175.742 176.600 0.006 0.000 1.000 376 K CA -0.511 55.783 56.287 0.013 0.000 0.929 376 K CB 1.736 34.248 32.500 0.019 0.000 1.021 376 K HN 0.279 nan 8.250 nan 0.000 0.463 377 V N 1.643 121.554 119.914 -0.004 0.000 3.188 377 V HA 0.360 4.481 4.120 0.002 0.000 0.305 377 V C -1.519 174.557 176.094 -0.031 0.000 1.232 377 V CA -0.904 61.386 62.300 -0.016 0.000 1.043 377 V CB 2.406 34.224 31.823 -0.007 0.000 1.068 377 V HN 0.493 nan 8.190 nan 0.000 0.439 378 V N 3.783 123.667 119.914 -0.050 0.000 2.435 378 V HA 0.611 4.732 4.120 0.002 0.000 0.290 378 V C 0.820 176.896 176.094 -0.031 0.000 1.030 378 V CA 0.811 63.078 62.300 -0.055 0.000 0.881 378 V CB 1.866 33.624 31.823 -0.109 0.000 0.983 378 V HN 1.248 nan 8.190 nan 0.000 0.445 379 S N 3.868 119.555 115.700 -0.020 0.000 2.535 379 S HA 0.295 4.766 4.470 0.002 0.000 0.214 379 S C 0.630 175.224 174.600 -0.009 0.000 0.980 379 S CA 0.413 58.605 58.200 -0.012 0.000 0.907 379 S CB 0.068 63.264 63.200 -0.007 0.000 0.790 379 S HN 1.251 nan 8.310 nan 0.000 0.510 380 S N -0.742 114.953 115.700 -0.007 0.000 2.570 380 S HA 0.671 5.142 4.470 0.002 0.000 0.270 380 S C -0.347 174.259 174.600 0.010 0.000 1.149 380 S CA 0.266 58.466 58.200 -0.000 0.000 0.837 380 S CB 0.996 64.198 63.200 0.003 0.000 1.124 380 S HN 1.796 nan 8.310 nan 0.000 0.465 381 G N 1.204 110.015 108.800 0.019 0.000 2.629 381 G HA2 0.227 4.188 3.960 0.002 0.000 0.686 381 G HA3 0.227 4.188 3.960 0.002 0.000 0.686 381 G C -1.480 173.454 174.900 0.057 0.000 1.232 381 G CA -0.379 44.751 45.100 0.051 0.000 0.803 381 G HN 1.560 nan 8.290 nan 0.000 0.638 382 L N -0.790 120.493 121.223 0.099 0.000 2.422 382 L HA 1.016 5.357 4.340 0.002 0.000 0.264 382 L C -0.363 176.628 176.870 0.202 0.000 0.984 382 L CA -1.156 53.698 54.840 0.024 0.000 0.819 382 L CB 1.033 43.095 42.059 0.006 0.000 1.330 382 L HN 1.485 nan 8.230 nan 0.000 0.410 383 F N 1.170 121.135 119.950 0.026 0.000 2.741 383 F HA 0.798 5.326 4.527 0.002 0.000 0.313 383 F C -1.336 174.492 175.800 0.048 0.000 1.153 383 F CA -1.389 56.645 58.000 0.057 0.000 0.931 383 F CB 1.419 40.490 39.000 0.118 0.000 1.335 383 F HN 0.583 nan 8.300 nan 0.000 0.460 384 L N 1.203 122.579 121.223 0.255 0.000 2.325 384 L HA 0.745 5.086 4.340 0.002 0.000 0.278 384 L C -0.479 176.483 176.870 0.154 0.000 1.023 384 L CA -0.966 53.948 54.840 0.123 0.000 0.811 384 L CB 1.661 43.772 42.059 0.086 0.000 1.249 384 L HN 0.730 nan 8.230 nan 0.000 0.431 385 I N 0.000 120.622 120.570 0.086 0.000 2.984 385 I HA 0.000 4.171 4.170 0.002 0.000 0.288 385 I CA 0.000 61.354 61.300 0.090 0.000 1.566 385 I CB 0.000 38.032 38.000 0.054 0.000 1.214 385 I HN 0.000 nan 8.210 nan 0.000 0.494