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 3eg5_1_B DATA FIRST_RESID 83 DATA SEQUENCE VLVLFEQMLV DMNLNEEKQQ PLREKDIVIK REMVSQYLHT SXXXXXXXXX DATA SEQUENCE SRSAMMYIQE LRSGLRDMHL LSCLESLRVS LTSHPVSWVQ TFGAEGLASL DATA SEQUENCE LDILKRLHDE KXXXXXXXDS RNQHEIIRCL KAFMNNKFGI KTMLETEEGI DATA SEQUENCE LLLVRAMDPA VPNMMIDAAK LLSALCILPQ PEDMNERVLE AMTERAEMDE DATA SEQUENCE VERFQPLLDG LKSGTSIALK VGCLQLINAL ITPAEELDFR VHIRSELMRL DATA SEQUENCE GLHQVLQELR EIENEDMKVQ LCVFDEQGDE DFFDLKGRLD DIRMEMDDFG DATA SEQUENCE EVFQIILNTV KDSKAEPHFL SILQHLLLVR NDYEARPQYY KLIEECVSQI DATA SEQUENCE VLH 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 83 V HA 0.000 nan 4.120 nan 0.000 0.244 83 V C 0.000 176.109 176.094 0.025 0.000 1.182 83 V CA 0.000 62.312 62.300 0.019 0.000 1.235 83 V CB 0.000 31.826 31.823 0.004 0.000 1.184 84 L N 0.539 121.781 121.223 0.032 0.000 2.728 84 L HA 0.415 4.755 4.340 -0.000 0.000 0.238 84 L C 1.755 178.700 176.870 0.125 0.000 1.143 84 L CA 1.332 56.208 54.840 0.059 0.000 0.937 84 L CB 1.115 43.185 42.059 0.019 0.000 1.225 84 L HN 0.330 nan 8.230 nan 0.000 0.507 85 V N -0.445 119.521 119.914 0.087 0.000 2.427 85 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 85 V C 2.052 178.197 176.094 0.085 0.000 1.051 85 V CA 1.802 64.148 62.300 0.077 0.000 1.048 85 V CB 0.093 31.946 31.823 0.051 0.000 0.666 85 V HN 0.439 nan 8.190 nan 0.000 0.456 86 L N -1.030 120.255 121.223 0.103 0.000 2.376 86 L HA -0.048 4.292 4.340 -0.000 0.000 0.219 86 L C 2.145 179.073 176.870 0.096 0.000 1.133 86 L CA 1.342 56.248 54.840 0.110 0.000 0.816 86 L CB -0.456 41.686 42.059 0.137 0.000 0.933 86 L HN 0.472 nan 8.230 nan 0.000 0.449 87 F N 0.679 120.609 119.950 -0.033 0.000 2.163 87 F HA -0.146 4.379 4.527 -0.002 0.000 0.297 87 F C 2.468 178.212 175.800 -0.093 0.000 1.094 87 F CA 1.307 59.263 58.000 -0.074 0.000 1.290 87 F CB 0.053 39.028 39.000 -0.042 0.000 1.017 87 F HN 0.008 nan 8.300 nan 0.000 0.483 88 E N 0.677 120.863 120.200 -0.023 0.000 2.085 88 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 88 E C 2.139 178.631 176.600 -0.179 0.000 0.994 88 E CA 1.881 58.216 56.400 -0.108 0.000 0.801 88 E CB -0.776 28.925 29.700 0.001 0.000 0.743 88 E HN 0.754 nan 8.360 nan 0.000 0.453 89 Q N 0.006 119.727 119.800 -0.131 0.000 2.123 89 Q HA -0.033 4.307 4.340 -0.000 0.000 0.199 89 Q C 2.267 178.121 176.000 -0.243 0.000 0.966 89 Q CA 1.152 56.883 55.803 -0.120 0.000 0.845 89 Q CB -0.402 28.322 28.738 -0.023 0.000 0.907 89 Q HN 0.175 nan 8.270 nan 0.000 0.439 90 M N 0.882 120.211 119.600 -0.451 0.000 2.082 90 M HA -0.182 4.297 4.480 -0.000 0.000 0.258 90 M C 1.992 177.965 176.300 -0.546 0.000 1.069 90 M CA 1.599 56.403 55.300 -0.826 0.000 1.102 90 M CB -0.073 31.933 32.600 -0.991 0.000 1.336 90 M HN 0.375 nan 8.290 nan 0.000 0.404 91 L N -0.452 120.453 121.223 -0.530 0.000 2.042 91 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 91 L C 2.316 179.045 176.870 -0.234 0.000 1.076 91 L CA 1.089 55.688 54.840 -0.403 0.000 0.749 91 L CB -0.678 41.107 42.059 -0.457 0.000 0.893 91 L HN 0.221 nan 8.230 nan 0.000 0.432 92 V N -0.782 119.015 119.914 -0.195 0.000 2.427 92 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 92 V C 2.020 178.064 176.094 -0.084 0.000 1.051 92 V CA 1.815 64.049 62.300 -0.111 0.000 1.048 92 V CB -0.463 31.311 31.823 -0.081 0.000 0.666 92 V HN 0.410 nan 8.190 nan 0.000 0.456 93 D N -0.441 119.900 120.400 -0.098 0.000 2.312 93 D HA -0.044 4.596 4.640 -0.000 0.000 0.211 93 D C 1.747 178.039 176.300 -0.013 0.000 0.964 93 D CA 0.900 54.884 54.000 -0.025 0.000 0.877 93 D CB -0.033 40.794 40.800 0.045 0.000 0.924 93 D HN 0.371 nan 8.370 nan 0.000 0.515 94 M N -0.606 118.951 119.600 -0.072 0.000 2.453 94 M HA 0.081 4.561 4.480 -0.000 0.000 0.239 94 M C 0.137 176.412 176.300 -0.042 0.000 1.151 94 M CA -0.162 55.109 55.300 -0.048 0.000 0.989 94 M CB 0.122 32.672 32.600 -0.083 0.000 1.548 94 M HN -0.198 nan 8.290 nan 0.000 0.479 95 N N 1.963 120.638 118.700 -0.040 0.000 2.738 95 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 95 N C -1.636 173.854 175.510 -0.033 0.000 1.047 95 N CA 0.594 53.627 53.050 -0.028 0.000 0.707 95 N CB -1.087 37.392 38.487 -0.013 0.000 0.937 95 N HN 0.420 nan 8.380 nan 0.000 0.545 96 L N 0.651 121.844 121.223 -0.049 0.000 2.329 96 L HA 0.473 4.812 4.340 -0.000 0.000 0.279 96 L C 0.773 177.619 176.870 -0.040 0.000 1.014 96 L CA -1.228 53.585 54.840 -0.045 0.000 0.814 96 L CB 1.400 43.422 42.059 -0.062 0.000 1.257 96 L HN 0.299 nan 8.230 nan 0.000 0.424 97 N N 0.831 119.515 118.700 -0.027 0.000 2.347 97 N HA 0.045 4.785 4.740 -0.000 0.000 0.253 97 N C 0.482 175.979 175.510 -0.021 0.000 1.274 97 N CA -0.430 52.608 53.050 -0.021 0.000 0.941 97 N CB 0.431 38.911 38.487 -0.012 0.000 1.200 97 N HN 0.555 nan 8.380 nan 0.000 0.514 98 E N -0.784 119.407 120.200 -0.015 0.000 2.118 98 E HA -0.264 4.085 4.350 -0.000 0.000 0.195 98 E C 1.206 177.803 176.600 -0.005 0.000 0.992 98 E CA 1.192 57.586 56.400 -0.010 0.000 0.804 98 E CB -0.029 29.668 29.700 -0.005 0.000 0.741 98 E HN 0.756 nan 8.360 nan 0.000 0.458 99 E N 0.789 120.987 120.200 -0.005 0.000 2.047 99 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 99 E C 1.663 178.262 176.600 -0.001 0.000 0.987 99 E CA 0.878 57.278 56.400 -0.001 0.000 0.799 99 E CB 0.241 29.940 29.700 -0.001 0.000 0.752 99 E HN -0.025 nan 8.360 nan 0.000 0.449 100 K N 0.412 120.807 120.400 -0.007 0.000 2.365 100 K HA -0.062 4.258 4.320 -0.000 0.000 0.199 100 K C 1.970 178.563 176.600 -0.012 0.000 1.045 100 K CA 0.661 56.942 56.287 -0.009 0.000 0.962 100 K CB -0.014 32.477 32.500 -0.015 0.000 0.759 100 K HN 0.315 nan 8.250 nan 0.000 0.469 101 Q N 0.125 119.915 119.800 -0.016 0.000 2.245 101 Q HA -0.119 4.220 4.340 -0.000 0.000 0.201 101 Q C 1.975 177.988 176.000 0.022 0.000 0.955 101 Q CA 0.684 56.476 55.803 -0.018 0.000 0.870 101 Q CB 0.080 28.797 28.738 -0.035 0.000 0.945 101 Q HN 0.142 nan 8.270 nan 0.000 0.461 102 Q N 1.152 120.965 119.800 0.021 0.000 2.045 102 Q HA -0.151 4.189 4.340 -0.000 0.000 0.206 102 Q C -0.899 175.126 176.000 0.041 0.000 0.991 102 Q CA 2.051 57.873 55.803 0.031 0.000 0.851 102 Q CB -0.922 27.827 28.738 0.019 0.000 0.911 102 Q HN 0.273 nan 8.270 nan 0.000 0.418 103 P HA -0.094 nan 4.420 nan 0.000 0.226 103 P C 0.797 178.133 177.300 0.061 0.000 1.153 103 P CA 0.984 64.106 63.100 0.037 0.000 0.777 103 P CB 0.039 31.754 31.700 0.026 0.000 0.794 104 L N -0.857 120.421 121.223 0.091 0.000 2.270 104 L HA 0.089 4.429 4.340 -0.000 0.000 0.210 104 L C 2.721 179.759 176.870 0.280 0.000 1.104 104 L CA 0.725 55.669 54.840 0.174 0.000 0.804 104 L CB -0.382 41.776 42.059 0.164 0.000 0.937 104 L HN -0.165 nan 8.230 nan 0.000 0.450 105 R N -0.098 120.532 120.500 0.216 0.000 2.236 105 R HA -0.071 4.268 4.340 -0.000 0.000 0.208 105 R C 1.593 177.925 176.300 0.055 0.000 1.036 105 R CA 0.680 56.902 56.100 0.204 0.000 1.001 105 R CB 0.038 30.437 30.300 0.165 0.000 0.896 105 R HN 0.421 nan 8.270 nan 0.000 0.464 106 E N 0.275 120.499 120.200 0.040 0.000 2.400 106 E HA 0.020 4.370 4.350 -0.000 0.000 0.195 106 E C -0.070 176.519 176.600 -0.019 0.000 1.012 106 E CA 0.127 56.530 56.400 0.005 0.000 0.875 106 E CB 0.377 30.085 29.700 0.013 0.000 0.859 106 E HN 0.011 nan 8.360 nan 0.000 0.498 107 K N 2.396 122.785 120.400 -0.018 0.000 2.448 107 K HA 0.020 4.340 4.320 -0.000 0.000 0.278 107 K C -0.095 176.450 176.600 -0.092 0.000 1.009 107 K CA 0.235 56.498 56.287 -0.040 0.000 0.995 107 K CB 0.308 32.796 32.500 -0.019 0.000 0.917 107 K HN 0.036 nan 8.250 nan 0.000 0.481 108 D N 1.853 122.210 120.400 -0.072 0.000 2.378 108 D HA -0.018 4.621 4.640 -0.000 0.000 0.238 108 D C 1.829 178.060 176.300 -0.116 0.000 1.180 108 D CA -0.019 53.932 54.000 -0.082 0.000 0.895 108 D CB 0.656 41.425 40.800 -0.052 0.000 1.192 108 D HN 0.350 nan 8.370 nan 0.000 0.438 109 I N 0.675 121.175 120.570 -0.117 0.000 2.300 109 I HA -0.312 3.858 4.170 -0.000 0.000 0.252 109 I C 2.238 178.299 176.117 -0.095 0.000 1.119 109 I CA 0.774 61.997 61.300 -0.128 0.000 1.384 109 I CB -0.493 37.452 38.000 -0.091 0.000 1.062 109 I HN 0.200 nan 8.210 nan 0.000 0.426 110 V N 1.397 121.273 119.914 -0.063 0.000 2.287 110 V HA -0.269 3.850 4.120 -0.000 0.000 0.248 110 V C 2.365 178.439 176.094 -0.032 0.000 1.053 110 V CA 2.131 64.409 62.300 -0.038 0.000 1.027 110 V CB -0.593 31.214 31.823 -0.026 0.000 0.646 110 V HN 0.366 nan 8.190 nan 0.000 0.447 111 I N -0.593 119.953 120.570 -0.041 0.000 2.286 111 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 111 I C 2.551 178.653 176.117 -0.025 0.000 1.104 111 I CA 1.398 62.685 61.300 -0.022 0.000 1.397 111 I CB -0.479 37.510 38.000 -0.017 0.000 1.072 111 I HN 0.191 nan 8.210 nan 0.000 0.417 112 K N 0.550 120.886 120.400 -0.106 0.000 2.074 112 K HA -0.228 4.091 4.320 -0.000 0.000 0.209 112 K C 2.319 178.895 176.600 -0.040 0.000 1.048 112 K CA 1.464 57.645 56.287 -0.178 0.000 0.926 112 K CB -0.246 31.946 32.500 -0.514 0.000 0.713 112 K HN 0.215 nan 8.250 nan 0.000 0.444 113 R N 1.064 121.542 120.500 -0.036 0.000 2.092 113 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 113 R C 2.204 178.534 176.300 0.051 0.000 1.119 113 R CA 1.220 57.327 56.100 0.012 0.000 0.970 113 R CB 0.093 30.392 30.300 -0.002 0.000 0.864 113 R HN 0.220 nan 8.270 nan 0.000 0.440 114 E N -0.029 120.198 120.200 0.045 0.000 2.158 114 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 114 E C 1.857 178.515 176.600 0.097 0.000 0.982 114 E CA 0.815 57.253 56.400 0.063 0.000 0.823 114 E CB 0.123 29.849 29.700 0.044 0.000 0.766 114 E HN 0.347 nan 8.360 nan 0.000 0.468 115 M N 0.445 120.111 119.600 0.110 0.000 2.067 115 M HA -0.169 4.311 4.480 -0.000 0.000 0.260 115 M C 2.535 178.957 176.300 0.204 0.000 1.069 115 M CA 1.598 56.990 55.300 0.153 0.000 1.117 115 M CB -0.404 32.306 32.600 0.183 0.000 1.334 115 M HN 0.120 nan 8.290 nan 0.000 0.407 116 V N -2.618 117.425 119.914 0.215 0.000 2.469 116 V HA -0.202 3.918 4.120 -0.000 0.000 0.251 116 V C 2.050 178.299 176.094 0.258 0.000 1.064 116 V CA 2.210 64.671 62.300 0.267 0.000 1.066 116 V CB -1.255 30.704 31.823 0.225 0.000 0.667 116 V HN 0.346 nan 8.190 nan 0.000 0.461 117 S N 0.175 115.984 115.700 0.181 0.000 2.355 117 S HA -0.174 4.296 4.470 -0.000 0.000 0.222 117 S C 2.002 176.724 174.600 0.204 0.000 1.031 117 S CA 1.767 60.062 58.200 0.158 0.000 0.993 117 S CB -0.442 62.845 63.200 0.145 0.000 0.859 117 S HN 0.735 nan 8.310 nan 0.000 0.453 118 Q N -0.630 119.291 119.800 0.202 0.000 2.435 118 Q HA -0.014 4.326 4.340 -0.000 0.000 0.207 118 Q C 1.583 177.705 176.000 0.203 0.000 0.956 118 Q CA 0.591 56.508 55.803 0.191 0.000 0.917 118 Q CB -0.102 28.713 28.738 0.127 0.000 0.997 118 Q HN 0.729 nan 8.270 nan 0.000 0.497 119 Y N 0.484 120.837 120.300 0.090 0.000 2.269 119 Y HA -0.040 4.511 4.550 0.002 0.000 0.294 119 Y C 1.605 177.537 175.900 0.053 0.000 1.120 119 Y CA 0.883 59.022 58.100 0.065 0.000 1.159 119 Y CB -0.073 38.419 38.460 0.053 0.000 1.024 119 Y HN -0.035 nan 8.280 nan 0.000 0.532 120 L N -0.506 120.640 121.223 -0.129 0.000 2.217 120 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 120 L C 2.374 179.120 176.870 -0.208 0.000 1.107 120 L CA 0.835 55.518 54.840 -0.261 0.000 0.783 120 L CB -0.595 41.384 42.059 -0.133 0.000 0.919 120 L HN 0.329 nan 8.230 nan 0.000 0.442 121 H N -0.180 118.845 119.070 -0.075 0.000 2.372 121 H HA -0.080 4.476 4.556 0.000 0.000 0.301 121 H C 2.341 177.633 175.328 -0.061 0.000 1.065 121 H CA 2.046 58.065 56.048 -0.048 0.000 1.364 121 H CB -0.020 29.735 29.762 -0.011 0.000 1.406 121 H HN 0.376 nan 8.280 nan 0.000 0.521 122 T N -1.144 113.447 114.554 0.061 0.000 2.977 122 T HA -0.019 4.330 4.350 -0.000 0.000 0.271 122 T C 1.323 175.988 174.700 -0.059 0.000 1.105 122 T CA 0.216 62.326 62.100 0.016 0.000 1.116 122 T CB -0.067 68.830 68.868 0.049 0.000 0.878 122 T HN -0.028 nan 8.240 nan 0.000 0.509 134 R N -0.009 120.581 120.500 0.150 0.000 2.854 134 R HA 0.851 5.191 4.340 -0.000 0.000 0.271 134 R C 0.158 176.649 176.300 0.318 0.000 0.994 134 R CA -0.899 55.272 56.100 0.119 0.000 0.945 134 R CB 1.091 31.366 30.300 -0.040 0.000 1.194 134 R HN 0.609 nan 8.270 nan 0.000 0.476 135 S N 0.695 116.554 115.700 0.265 0.000 2.587 135 S HA 0.149 4.619 4.470 -0.000 0.000 0.260 135 S C 1.313 176.199 174.600 0.476 0.000 1.353 135 S CA -0.143 58.276 58.200 0.365 0.000 0.995 135 S CB 1.029 64.312 63.200 0.138 0.000 0.912 135 S HN 0.804 nan 8.310 nan 0.000 0.568 136 A N 1.023 123.940 122.820 0.162 0.000 1.930 136 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 136 A C 2.190 179.913 177.584 0.231 0.000 1.175 136 A CA 1.738 53.808 52.037 0.055 0.000 0.627 136 A CB -0.950 17.701 19.000 -0.581 0.000 0.815 136 A HN 0.852 nan 8.150 nan 0.000 0.443 137 M N -0.995 118.659 119.600 0.089 0.000 2.108 137 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 137 M C 2.022 178.377 176.300 0.091 0.000 1.066 137 M CA 1.565 56.904 55.300 0.065 0.000 1.107 137 M CB -0.350 32.260 32.600 0.018 0.000 1.356 137 M HN 0.310 nan 8.290 nan 0.000 0.406 138 M N -1.814 117.832 119.600 0.076 0.000 2.213 138 M HA -0.199 4.281 4.480 -0.000 0.000 0.263 138 M C 2.060 178.366 176.300 0.010 0.000 1.062 138 M CA 1.777 57.075 55.300 -0.003 0.000 1.105 138 M CB -1.313 31.230 32.600 -0.096 0.000 1.385 138 M HN 0.333 nan 8.290 nan 0.000 0.417 139 Y N 0.157 120.581 120.300 0.206 0.000 2.220 139 Y HA -0.104 4.446 4.550 -0.001 0.000 0.291 139 Y C 2.359 178.399 175.900 0.233 0.000 1.129 139 Y CA 0.931 59.180 58.100 0.249 0.000 1.161 139 Y CB -0.338 38.340 38.460 0.363 0.000 0.997 139 Y HN 0.092 nan 8.280 nan 0.000 0.522 140 I N -0.185 120.605 120.570 0.367 0.000 2.208 140 I HA -0.370 3.800 4.170 -0.000 0.000 0.245 140 I C 2.391 178.577 176.117 0.115 0.000 1.097 140 I CA 1.447 62.853 61.300 0.178 0.000 1.363 140 I CB -0.464 37.566 38.000 0.051 0.000 1.051 140 I HN 0.236 nan 8.210 nan 0.000 0.413 141 Q N 0.821 120.678 119.800 0.095 0.000 2.045 141 Q HA -0.267 4.072 4.340 -0.000 0.000 0.206 141 Q C 2.137 178.173 176.000 0.060 0.000 0.991 141 Q CA 2.085 57.921 55.803 0.054 0.000 0.851 141 Q CB -0.021 28.736 28.738 0.032 0.000 0.911 141 Q HN 0.495 nan 8.270 nan 0.000 0.418 142 E N -0.341 119.909 120.200 0.084 0.000 2.072 142 E HA -0.133 4.216 4.350 -0.000 0.000 0.190 142 E C 1.999 178.662 176.600 0.104 0.000 0.982 142 E CA 0.825 57.275 56.400 0.084 0.000 0.803 142 E CB -0.081 29.675 29.700 0.094 0.000 0.755 142 E HN 0.376 nan 8.360 nan 0.000 0.453 143 L N 0.570 121.880 121.223 0.145 0.000 2.265 143 L HA -0.141 4.199 4.340 -0.000 0.000 0.215 143 L C 2.159 179.074 176.870 0.076 0.000 1.117 143 L CA 0.959 55.875 54.840 0.126 0.000 0.782 143 L CB -0.225 41.931 42.059 0.162 0.000 0.914 143 L HN 0.041 nan 8.230 nan 0.000 0.441 144 R N -0.840 119.697 120.500 0.061 0.000 2.362 144 R HA 0.050 4.390 4.340 -0.000 0.000 0.227 144 R C 1.774 178.091 176.300 0.030 0.000 0.905 144 R CA 0.606 56.728 56.100 0.036 0.000 1.067 144 R CB 0.242 30.557 30.300 0.024 0.000 1.078 144 R HN 0.288 nan 8.270 nan 0.000 0.516 145 S N -0.519 115.203 115.700 0.035 0.000 2.597 145 S HA 0.138 4.608 4.470 -0.000 0.000 0.224 145 S C 1.108 175.720 174.600 0.021 0.000 0.955 145 S CA 0.190 58.404 58.200 0.023 0.000 0.933 145 S CB 0.626 63.838 63.200 0.019 0.000 0.788 145 S HN 0.385 nan 8.310 nan 0.000 0.488 146 G N 1.618 110.435 108.800 0.028 0.000 2.246 146 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.273 146 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.273 146 G C -0.120 174.800 174.900 0.033 0.000 1.055 146 G CA -0.056 45.060 45.100 0.027 0.000 0.851 146 G HN 0.449 nan 8.290 nan 0.000 0.500 147 L N -0.274 120.977 121.223 0.047 0.000 2.483 147 L HA 0.478 4.818 4.340 -0.000 0.000 0.276 147 L C 1.207 178.121 176.870 0.074 0.000 1.213 147 L CA 0.713 55.594 54.840 0.068 0.000 0.843 147 L CB 0.342 42.455 42.059 0.089 0.000 1.107 147 L HN 0.431 nan 8.230 nan 0.000 0.487 148 R N 1.725 122.287 120.500 0.103 0.000 2.725 148 R HA 0.313 4.652 4.340 -0.000 0.000 0.277 148 R C -0.291 176.060 176.300 0.085 0.000 0.987 148 R CA -0.907 55.243 56.100 0.084 0.000 0.901 148 R CB 1.939 32.284 30.300 0.075 0.000 1.207 148 R HN 0.734 nan 8.270 nan 0.000 0.463 149 D N 0.883 121.307 120.400 0.040 0.000 3.750 149 D HA -0.408 4.232 4.640 -0.000 0.000 0.149 149 D C 1.164 177.452 176.300 -0.020 0.000 0.867 149 D CA 1.687 55.690 54.000 0.006 0.000 1.010 149 D CB -0.427 40.370 40.800 -0.006 0.000 0.462 149 D HN 0.534 nan 8.370 nan 0.000 0.436 150 M N 0.444 119.988 119.600 -0.093 0.000 2.149 150 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 150 M C 2.322 178.525 176.300 -0.162 0.000 1.064 150 M CA 2.068 57.268 55.300 -0.166 0.000 1.102 150 M CB -0.371 32.062 32.600 -0.279 0.000 1.369 150 M HN 0.315 nan 8.290 nan 0.000 0.408 151 H N -0.886 118.194 119.070 0.017 0.000 2.428 151 H HA -0.114 4.442 4.556 -0.000 0.000 0.296 151 H C 1.744 177.090 175.328 0.030 0.000 1.062 151 H CA 1.328 57.389 56.048 0.021 0.000 1.350 151 H CB 0.012 29.785 29.762 0.019 0.000 1.403 151 H HN 0.277 nan 8.280 nan 0.000 0.533 152 L N 0.325 121.628 121.223 0.132 0.000 2.017 152 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 152 L C 2.087 178.997 176.870 0.066 0.000 1.073 152 L CA 1.193 56.088 54.840 0.092 0.000 0.745 152 L CB -0.663 41.436 42.059 0.067 0.000 0.894 152 L HN 0.232 nan 8.230 nan 0.000 0.432 153 L N -0.863 120.382 121.223 0.036 0.000 1.990 153 L HA -0.245 4.095 4.340 -0.000 0.000 0.213 153 L C 2.611 179.495 176.870 0.024 0.000 1.072 153 L CA 2.213 57.063 54.840 0.016 0.000 0.755 153 L CB -1.095 40.960 42.059 -0.007 0.000 0.889 153 L HN 0.347 nan 8.230 nan 0.000 0.432 154 S N -1.448 114.271 115.700 0.031 0.000 2.368 154 S HA -0.315 4.155 4.470 -0.000 0.000 0.226 154 S C 2.197 176.844 174.600 0.079 0.000 1.044 154 S CA 1.570 59.797 58.200 0.045 0.000 1.062 154 S CB -0.983 62.252 63.200 0.058 0.000 0.931 154 S HN 0.785 nan 8.310 nan 0.000 0.440 155 C N 1.512 120.879 119.300 0.111 0.000 2.398 155 C HA -0.081 4.379 4.460 -0.000 0.000 0.276 155 C C 2.447 177.530 174.990 0.154 0.000 1.222 155 C CA 0.990 60.112 59.018 0.172 0.000 1.746 155 C CB -1.616 26.227 27.740 0.171 0.000 2.039 155 C HN 0.606 nan 8.230 nan 0.000 0.470 156 L N 0.456 121.727 121.223 0.081 0.000 2.046 156 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 156 L C 2.769 179.621 176.870 -0.031 0.000 1.077 156 L CA 2.036 56.889 54.840 0.021 0.000 0.747 156 L CB -0.821 41.245 42.059 0.012 0.000 0.896 156 L HN 0.464 nan 8.230 nan 0.000 0.432 157 E N -0.748 119.441 120.200 -0.018 0.000 2.110 157 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 157 E C 2.318 178.885 176.600 -0.054 0.000 0.988 157 E CA 1.442 57.815 56.400 -0.045 0.000 0.804 157 E CB -0.089 29.593 29.700 -0.030 0.000 0.745 157 E HN 0.280 nan 8.360 nan 0.000 0.458 158 S N 0.389 116.092 115.700 0.004 0.000 2.414 158 S HA -0.073 4.396 4.470 -0.000 0.000 0.227 158 S C 1.862 176.395 174.600 -0.112 0.000 1.022 158 S CA 0.291 58.516 58.200 0.042 0.000 0.958 158 S CB -0.005 63.322 63.200 0.210 0.000 0.797 158 S HN 0.149 nan 8.310 nan 0.000 0.493 159 L N 2.299 123.365 121.223 -0.262 0.000 2.056 159 L HA 0.143 4.483 4.340 -0.000 0.000 0.207 159 L C 2.375 178.965 176.870 -0.465 0.000 1.078 159 L CA 1.722 56.145 54.840 -0.696 0.000 0.749 159 L CB -0.814 40.918 42.059 -0.545 0.000 0.901 159 L HN 0.225 nan 8.230 nan 0.000 0.433 160 R N -0.838 119.498 120.500 -0.274 0.000 2.083 160 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 160 R C 2.060 178.212 176.300 -0.246 0.000 1.137 160 R CA 2.044 58.017 56.100 -0.211 0.000 0.951 160 R CB -0.341 29.871 30.300 -0.146 0.000 0.851 160 R HN 0.373 nan 8.270 nan 0.000 0.434 161 V N 0.443 120.200 119.914 -0.261 0.000 2.287 161 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 161 V C 2.334 178.131 176.094 -0.495 0.000 1.053 161 V CA 2.163 64.284 62.300 -0.298 0.000 1.027 161 V CB -0.559 31.120 31.823 -0.240 0.000 0.646 161 V HN 0.367 nan 8.190 nan 0.000 0.447 162 S N 0.315 115.625 115.700 -0.649 0.000 2.365 162 S HA -0.180 4.290 4.470 -0.000 0.000 0.225 162 S C 1.911 176.033 174.600 -0.796 0.000 1.039 162 S CA 1.754 59.306 58.200 -1.081 0.000 1.033 162 S CB -0.483 62.017 63.200 -1.168 0.000 0.887 162 S HN 0.481 nan 8.310 nan 0.000 0.447 163 L N 0.919 121.870 121.223 -0.454 0.000 2.201 163 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 163 L C 2.482 179.287 176.870 -0.108 0.000 1.105 163 L CA 1.067 55.825 54.840 -0.137 0.000 0.775 163 L CB -0.895 41.133 42.059 -0.052 0.000 0.913 163 L HN 0.359 nan 8.230 nan 0.000 0.440 164 T N -2.040 112.401 114.554 -0.188 0.000 2.852 164 T HA -0.042 4.307 4.350 -0.000 0.000 0.256 164 T C 2.029 176.639 174.700 -0.149 0.000 1.038 164 T CA 1.295 63.314 62.100 -0.136 0.000 1.141 164 T CB 0.152 68.938 68.868 -0.137 0.000 0.869 164 T HN 0.178 nan 8.240 nan 0.000 0.439 165 S N -0.472 115.070 115.700 -0.263 0.000 2.483 165 S HA 0.179 4.649 4.470 -0.000 0.000 0.221 165 S C 0.532 175.039 174.600 -0.156 0.000 1.030 165 S CA -0.163 57.899 58.200 -0.229 0.000 0.925 165 S CB 0.016 63.036 63.200 -0.300 0.000 0.795 165 S HN 0.586 nan 8.310 nan 0.000 0.511 166 H N 1.477 120.434 119.070 -0.188 0.000 2.603 166 H HA 0.246 4.802 4.556 0.001 0.000 0.370 166 H C -2.356 172.973 175.328 0.001 0.000 1.225 166 H CA -1.993 53.964 56.048 -0.152 0.000 1.410 166 H CB 0.094 29.613 29.762 -0.404 0.000 1.495 166 H HN 0.081 nan 8.280 nan 0.000 0.602 167 P HA -0.112 nan 4.420 nan 0.000 0.269 167 P C 0.733 178.140 177.300 0.179 0.000 1.215 167 P CA 0.011 63.226 63.100 0.191 0.000 0.780 167 P CB 0.695 32.543 31.700 0.246 0.000 0.898 168 V N 1.437 121.412 119.914 0.101 0.000 2.370 168 V HA -0.303 3.817 4.120 -0.000 0.000 0.252 168 V C 2.275 178.379 176.094 0.017 0.000 1.068 168 V CA 2.685 65.015 62.300 0.050 0.000 1.061 168 V CB -1.680 30.146 31.823 0.004 0.000 0.656 168 V HN 0.742 nan 8.190 nan 0.000 0.455 169 S N -1.295 114.428 115.700 0.039 0.000 2.400 169 S HA -0.318 4.152 4.470 -0.000 0.000 0.232 169 S C 1.605 176.222 174.600 0.028 0.000 1.025 169 S CA 1.695 59.891 58.200 -0.007 0.000 0.993 169 S CB -0.883 62.334 63.200 0.030 0.000 0.808 169 S HN 0.772 nan 8.310 nan 0.000 0.478 170 W N 2.263 123.547 121.300 -0.026 0.000 2.381 170 W HA -0.039 4.619 4.660 -0.003 0.000 0.301 170 W C 2.076 178.624 176.519 0.050 0.000 1.205 170 W CA 1.221 58.572 57.345 0.010 0.000 1.285 170 W CB -0.320 29.166 29.460 0.044 0.000 1.133 170 W HN 0.106 nan 8.180 nan 0.000 0.521 171 V N 1.268 121.405 119.914 0.372 0.000 2.332 171 V HA -0.387 3.732 4.120 -0.000 0.000 0.248 171 V C 2.507 178.596 176.094 -0.010 0.000 1.055 171 V CA 2.154 64.617 62.300 0.273 0.000 1.038 171 V CB -1.207 30.704 31.823 0.147 0.000 0.651 171 V HN 0.266 nan 8.190 nan 0.000 0.450 172 Q N 0.169 119.749 119.800 -0.366 0.000 2.045 172 Q HA -0.231 4.109 4.340 -0.000 0.000 0.206 172 Q C 2.367 178.193 176.000 -0.291 0.000 0.991 172 Q CA 2.460 57.831 55.803 -0.720 0.000 0.851 172 Q CB -1.020 27.369 28.738 -0.581 0.000 0.911 172 Q HN 0.692 nan 8.270 nan 0.000 0.418 173 T N 1.210 115.620 114.554 -0.240 0.000 2.803 173 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 173 T C 1.482 176.089 174.700 -0.154 0.000 1.052 173 T CA 1.154 63.116 62.100 -0.230 0.000 1.136 173 T CB -0.371 68.271 68.868 -0.376 0.000 0.864 173 T HN 0.180 nan 8.240 nan 0.000 0.467 174 F N 1.869 121.637 119.950 -0.302 0.000 2.060 174 F HA 0.235 4.761 4.527 -0.001 0.000 0.295 174 F C 1.826 177.688 175.800 0.104 0.000 1.120 174 F CA 0.999 58.922 58.000 -0.129 0.000 1.205 174 F CB -0.975 38.010 39.000 -0.025 0.000 0.986 174 F HN 0.389 nan 8.300 nan 0.000 0.470 175 G N -0.005 109.032 108.800 0.395 0.000 2.578 175 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.275 175 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.275 175 G C 1.078 176.122 174.900 0.241 0.000 1.271 175 G CA 0.698 46.100 45.100 0.504 0.000 0.941 175 G HN 1.013 nan 8.290 nan 0.000 0.564 176 A N -1.387 121.525 122.820 0.153 0.000 1.877 176 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 176 A C 2.220 179.732 177.584 -0.120 0.000 1.186 176 A CA 2.670 54.711 52.037 0.007 0.000 0.620 176 A CB -0.706 18.300 19.000 0.011 0.000 0.822 176 A HN 1.035 nan 8.150 nan 0.000 0.443 177 E N -0.466 119.654 120.200 -0.133 0.000 2.070 177 E HA -0.137 4.212 4.350 -0.000 0.000 0.197 177 E C 2.038 178.437 176.600 -0.335 0.000 1.004 177 E CA 1.704 57.995 56.400 -0.183 0.000 0.805 177 E CB -0.630 28.982 29.700 -0.146 0.000 0.744 177 E HN 0.514 nan 8.360 nan 0.000 0.451 178 G N 0.073 108.481 108.800 -0.654 0.000 2.402 178 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 178 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 178 G C 1.497 175.873 174.900 -0.874 0.000 1.162 178 G CA 0.733 45.038 45.100 -1.325 0.000 0.777 178 G HN 0.290 nan 8.290 nan 0.000 0.539 179 L N 1.488 122.339 121.223 -0.621 0.000 2.042 179 L HA 0.088 4.428 4.340 -0.000 0.000 0.210 179 L C 3.074 179.812 176.870 -0.220 0.000 1.076 179 L CA 2.175 56.782 54.840 -0.388 0.000 0.749 179 L CB -0.748 41.058 42.059 -0.421 0.000 0.893 179 L HN 0.240 nan 8.230 nan 0.000 0.432 180 A N -0.740 121.968 122.820 -0.188 0.000 1.873 180 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 180 A C 2.483 180.017 177.584 -0.083 0.000 1.193 180 A CA 2.670 54.640 52.037 -0.111 0.000 0.629 180 A CB -1.304 17.639 19.000 -0.095 0.000 0.826 180 A HN 0.677 nan 8.150 nan 0.000 0.447 181 S N -0.764 114.877 115.700 -0.098 0.000 2.406 181 S HA -0.075 4.394 4.470 -0.000 0.000 0.228 181 S C 1.796 176.396 174.600 -0.001 0.000 1.020 181 S CA 1.296 59.472 58.200 -0.040 0.000 0.965 181 S CB -0.527 62.652 63.200 -0.034 0.000 0.798 181 S HN 0.321 nan 8.310 nan 0.000 0.488 182 L N 1.315 122.537 121.223 -0.002 0.000 2.083 182 L HA 0.203 4.543 4.340 -0.000 0.000 0.209 182 L C 2.187 179.066 176.870 0.015 0.000 1.083 182 L CA 1.464 56.332 54.840 0.045 0.000 0.752 182 L CB -0.613 41.498 42.059 0.087 0.000 0.899 182 L HN 0.358 nan 8.230 nan 0.000 0.433 183 L N -1.323 119.891 121.223 -0.015 0.000 2.313 183 L HA -0.091 4.249 4.340 -0.000 0.000 0.214 183 L C 1.916 178.797 176.870 0.019 0.000 1.119 183 L CA 0.419 55.259 54.840 0.000 0.000 0.809 183 L CB -0.574 41.473 42.059 -0.019 0.000 0.933 183 L HN 0.208 nan 8.230 nan 0.000 0.449 184 D N 0.487 120.893 120.400 0.010 0.000 2.144 184 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 184 D C 2.273 178.591 176.300 0.030 0.000 0.978 184 D CA 1.196 55.207 54.000 0.018 0.000 0.833 184 D CB 0.091 40.895 40.800 0.008 0.000 0.961 184 D HN 0.280 nan 8.370 nan 0.000 0.470 185 I N 0.514 121.102 120.570 0.030 0.000 2.252 185 I HA -0.183 3.986 4.170 -0.000 0.000 0.245 185 I C 2.500 178.630 176.117 0.021 0.000 1.102 185 I CA 0.417 61.734 61.300 0.029 0.000 1.385 185 I CB -0.018 38.003 38.000 0.036 0.000 1.064 185 I HN 0.010 nan 8.210 nan 0.000 0.414 186 L N 0.741 121.982 121.223 0.029 0.000 2.043 186 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 186 L C 2.674 179.602 176.870 0.097 0.000 1.075 186 L CA 1.722 56.579 54.840 0.028 0.000 0.752 186 L CB -0.346 41.758 42.059 0.076 0.000 0.891 186 L HN 0.258 nan 8.230 nan 0.000 0.432 187 K N -0.661 119.820 120.400 0.136 0.000 2.026 187 K HA -0.235 4.084 4.320 -0.000 0.000 0.208 187 K C 2.147 178.817 176.600 0.117 0.000 1.048 187 K CA 1.205 57.594 56.287 0.170 0.000 0.929 187 K CB -0.244 32.310 32.500 0.090 0.000 0.713 187 K HN 0.257 nan 8.250 nan 0.000 0.439 188 R N 1.265 121.801 120.500 0.059 0.000 2.113 188 R HA -0.162 4.178 4.340 -0.000 0.000 0.244 188 R C 2.322 178.635 176.300 0.022 0.000 1.142 188 R CA 1.408 57.530 56.100 0.037 0.000 0.953 188 R CB -0.388 29.927 30.300 0.025 0.000 0.860 188 R HN 0.159 nan 8.270 nan 0.000 0.438 189 L N -0.851 120.360 121.223 -0.020 0.000 2.131 189 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 189 L C 2.167 178.977 176.870 -0.101 0.000 1.092 189 L CA 1.559 56.349 54.840 -0.082 0.000 0.759 189 L CB -0.398 41.572 42.059 -0.149 0.000 0.903 189 L HN 0.366 nan 8.230 nan 0.000 0.435 190 H N -0.986 118.092 119.070 0.014 0.000 2.462 190 H HA -0.105 4.451 4.556 -0.000 0.000 0.292 190 H C 1.312 176.645 175.328 0.009 0.000 1.049 190 H CA 1.015 57.070 56.048 0.011 0.000 1.334 190 H CB 0.179 29.946 29.762 0.009 0.000 1.404 190 H HN 0.259 nan 8.280 nan 0.000 0.544 191 D N 0.414 120.885 120.400 0.118 0.000 2.349 191 D HA -0.006 4.634 4.640 -0.000 0.000 0.224 191 D C -0.189 176.138 176.300 0.045 0.000 1.029 191 D CA 0.582 54.625 54.000 0.071 0.000 0.879 191 D CB 0.201 41.035 40.800 0.055 0.000 0.906 191 D HN 0.489 nan 8.370 nan 0.000 0.528 192 E N 1.197 121.419 120.200 0.037 0.000 2.402 192 E HA 0.170 4.520 4.350 -0.000 0.000 0.244 192 E C -0.380 176.231 176.600 0.018 0.000 0.945 192 E CA -0.665 55.749 56.400 0.023 0.000 0.774 192 E CB 1.487 31.197 29.700 0.016 0.000 1.296 192 E HN 0.069 nan 8.360 nan 0.000 0.414 202 S N 1.340 117.037 115.700 -0.004 0.000 2.515 202 S HA -0.053 4.417 4.470 -0.000 0.000 0.231 202 S C 1.540 176.165 174.600 0.043 0.000 0.987 202 S CA 0.468 58.669 58.200 0.002 0.000 0.936 202 S CB 0.266 63.462 63.200 -0.005 0.000 0.766 202 S HN 0.362 nan 8.310 nan 0.000 0.528 203 R N 1.723 122.249 120.500 0.043 0.000 2.073 203 R HA 0.142 4.482 4.340 -0.000 0.000 0.229 203 R C 2.063 178.392 176.300 0.049 0.000 1.120 203 R CA 1.261 57.401 56.100 0.067 0.000 0.967 203 R CB -0.330 29.991 30.300 0.035 0.000 0.862 203 R HN 0.371 nan 8.270 nan 0.000 0.436 204 N N 0.861 119.574 118.700 0.021 0.000 2.120 204 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 204 N C 1.710 177.227 175.510 0.011 0.000 1.024 204 N CA 1.304 54.360 53.050 0.010 0.000 0.852 204 N CB -0.079 38.409 38.487 0.001 0.000 1.003 204 N HN 0.362 nan 8.380 nan 0.000 0.424 205 Q N -0.323 119.479 119.800 0.004 0.000 2.050 205 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 205 Q C 1.901 177.951 176.000 0.083 0.000 0.980 205 Q CA 1.294 57.095 55.803 -0.004 0.000 0.840 205 Q CB -0.242 28.463 28.738 -0.055 0.000 0.898 205 Q HN 0.459 nan 8.270 nan 0.000 0.424 206 H N 0.823 119.882 119.070 -0.018 0.000 2.352 206 H HA -0.134 4.422 4.556 0.000 0.000 0.299 206 H C 1.794 177.120 175.328 -0.003 0.000 1.097 206 H CA 1.852 57.897 56.048 -0.006 0.000 1.311 206 H CB 0.125 29.883 29.762 -0.006 0.000 1.377 206 H HN 0.150 nan 8.280 nan 0.000 0.504 207 E N 0.102 120.285 120.200 -0.028 0.000 2.106 207 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 207 E C 2.452 179.022 176.600 -0.049 0.000 0.984 207 E CA 1.098 57.435 56.400 -0.104 0.000 0.806 207 E CB -0.333 29.326 29.700 -0.068 0.000 0.750 207 E HN 0.603 nan 8.360 nan 0.000 0.458 208 I N 0.310 120.880 120.570 -0.001 0.000 2.286 208 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 208 I C 1.692 177.826 176.117 0.028 0.000 1.115 208 I CA 0.489 61.797 61.300 0.014 0.000 1.392 208 I CB -0.270 37.745 38.000 0.025 0.000 1.065 208 I HN 0.179 nan 8.210 nan 0.000 0.418 209 I N 0.772 121.375 120.570 0.056 0.000 2.315 209 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 209 I C 2.622 178.770 176.117 0.052 0.000 1.117 209 I CA 1.447 62.797 61.300 0.082 0.000 1.404 209 I CB -1.339 36.750 38.000 0.148 0.000 1.071 209 I HN 0.296 nan 8.210 nan 0.000 0.419 210 R N 0.419 120.911 120.500 -0.014 0.000 2.081 210 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 210 R C 2.453 178.738 176.300 -0.025 0.000 1.131 210 R CA 1.610 57.675 56.100 -0.058 0.000 0.960 210 R CB -1.102 29.095 30.300 -0.172 0.000 0.856 210 R HN 0.368 nan 8.270 nan 0.000 0.436 211 C N 1.213 120.498 119.300 -0.025 0.000 2.413 211 C HA -0.065 4.395 4.460 -0.000 0.000 0.276 211 C C 2.899 177.936 174.990 0.078 0.000 1.236 211 C CA 0.548 59.562 59.018 -0.006 0.000 1.735 211 C CB -1.075 26.649 27.740 -0.027 0.000 2.031 211 C HN 0.407 nan 8.230 nan 0.000 0.474 212 L N 0.853 122.124 121.223 0.079 0.000 2.046 212 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 212 L C 2.695 179.671 176.870 0.177 0.000 1.077 212 L CA 1.729 56.649 54.840 0.133 0.000 0.747 212 L CB -0.799 41.313 42.059 0.089 0.000 0.896 212 L HN 0.449 nan 8.230 nan 0.000 0.432 213 K N 0.565 121.033 120.400 0.113 0.000 2.032 213 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 213 K C 2.126 178.786 176.600 0.100 0.000 1.048 213 K CA 1.632 57.976 56.287 0.095 0.000 0.927 213 K CB -0.108 32.429 32.500 0.061 0.000 0.712 213 K HN 0.265 nan 8.250 nan 0.000 0.441 214 A N 0.541 123.415 122.820 0.090 0.000 1.930 214 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 214 A C 1.989 179.656 177.584 0.139 0.000 1.175 214 A CA 1.186 53.268 52.037 0.075 0.000 0.627 214 A CB -0.801 18.214 19.000 0.025 0.000 0.815 214 A HN 0.524 nan 8.150 nan 0.000 0.443 215 F N 0.146 120.134 119.950 0.062 0.000 2.202 215 F HA -0.116 4.411 4.527 -0.001 0.000 0.301 215 F C 2.019 177.894 175.800 0.126 0.000 1.082 215 F CA 1.853 59.929 58.000 0.127 0.000 1.313 215 F CB -0.078 39.016 39.000 0.157 0.000 1.024 215 F HN 0.141 nan 8.300 nan 0.000 0.495 216 M N 0.122 119.832 119.600 0.184 0.000 2.428 216 M HA 0.059 4.539 4.480 -0.000 0.000 0.239 216 M C 0.982 177.305 176.300 0.038 0.000 1.121 216 M CA 0.143 55.502 55.300 0.099 0.000 1.019 216 M CB -0.225 32.471 32.600 0.159 0.000 1.485 216 M HN 0.168 nan 8.290 nan 0.000 0.484 217 N N 1.637 120.355 118.700 0.030 0.000 2.521 217 N HA -0.073 4.667 4.740 -0.000 0.000 0.188 217 N C -0.375 175.136 175.510 0.002 0.000 1.146 217 N CA 0.198 53.258 53.050 0.017 0.000 0.893 217 N CB -0.653 37.844 38.487 0.017 0.000 0.975 217 N HN 0.522 nan 8.380 nan 0.000 0.451 218 N N -1.724 116.968 118.700 -0.012 0.000 2.262 218 N HA 0.326 5.066 4.740 -0.000 0.000 0.295 218 N C 0.284 175.793 175.510 -0.001 0.000 1.161 218 N CA -1.021 52.026 53.050 -0.005 0.000 0.767 218 N CB 1.783 40.270 38.487 -0.001 0.000 1.499 218 N HN -0.375 nan 8.380 nan 0.000 0.476 219 K N 0.676 121.088 120.400 0.020 0.000 2.032 219 K HA -0.226 4.094 4.320 -0.000 0.000 0.218 219 K C 1.367 177.980 176.600 0.022 0.000 1.054 219 K CA 1.695 57.996 56.287 0.023 0.000 0.941 219 K CB -0.838 31.686 32.500 0.038 0.000 0.720 219 K HN 0.701 nan 8.250 nan 0.000 0.449 220 F N 1.455 121.354 119.950 -0.086 0.000 2.091 220 F HA -0.190 4.338 4.527 0.001 0.000 0.299 220 F C 2.216 177.912 175.800 -0.174 0.000 1.103 220 F CA 2.099 60.038 58.000 -0.102 0.000 1.228 220 F CB -0.701 38.236 39.000 -0.106 0.000 0.984 220 F HN 0.119 nan 8.300 nan 0.000 0.477 221 G N 0.704 109.379 108.800 -0.210 0.000 2.446 221 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 221 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 221 G C 1.782 176.579 174.900 -0.171 0.000 1.168 221 G CA 1.310 46.077 45.100 -0.554 0.000 0.771 221 G HN 0.486 nan 8.290 nan 0.000 0.551 222 I N 0.451 120.970 120.570 -0.086 0.000 2.179 222 I HA -0.134 4.036 4.170 -0.000 0.000 0.242 222 I C 2.718 178.807 176.117 -0.046 0.000 1.088 222 I CA 1.501 62.792 61.300 -0.016 0.000 1.357 222 I CB -0.167 37.830 38.000 -0.006 0.000 1.051 222 I HN 0.158 nan 8.210 nan 0.000 0.409 223 K N 0.580 120.914 120.400 -0.111 0.000 2.020 223 K HA -0.238 4.082 4.320 -0.000 0.000 0.212 223 K C 2.028 178.537 176.600 -0.152 0.000 1.050 223 K CA 2.399 58.609 56.287 -0.130 0.000 0.929 223 K CB -0.259 32.144 32.500 -0.163 0.000 0.714 223 K HN 0.236 nan 8.250 nan 0.000 0.443 224 T N 1.253 115.644 114.554 -0.272 0.000 2.788 224 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 224 T C 1.653 176.356 174.700 0.006 0.000 1.044 224 T CA 1.613 63.599 62.100 -0.189 0.000 1.139 224 T CB -0.180 68.504 68.868 -0.307 0.000 0.867 224 T HN 0.279 nan 8.240 nan 0.000 0.454 225 M N 1.007 120.663 119.600 0.093 0.000 2.132 225 M HA 0.136 4.616 4.480 -0.000 0.000 0.263 225 M C 1.816 178.136 176.300 0.033 0.000 1.065 225 M CA 1.421 56.780 55.300 0.099 0.000 1.122 225 M CB -0.726 31.969 32.600 0.158 0.000 1.365 225 M HN 0.166 nan 8.290 nan 0.000 0.411 226 L N -0.469 120.761 121.223 0.012 0.000 2.191 226 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 226 L C 1.763 178.627 176.870 -0.009 0.000 1.103 226 L CA 1.190 56.030 54.840 0.000 0.000 0.769 226 L CB -0.706 41.347 42.059 -0.009 0.000 0.908 226 L HN 0.374 nan 8.230 nan 0.000 0.438 227 E N -0.841 119.347 120.200 -0.020 0.000 2.502 227 E HA -0.007 4.343 4.350 -0.000 0.000 0.194 227 E C 0.282 176.872 176.600 -0.018 0.000 1.062 227 E CA 0.015 56.401 56.400 -0.023 0.000 0.867 227 E CB 0.149 29.827 29.700 -0.037 0.000 0.888 227 E HN 0.355 nan 8.360 nan 0.000 0.510 228 T N 0.632 115.178 114.554 -0.013 0.000 2.910 228 T HA 0.081 4.431 4.350 -0.000 0.000 0.293 228 T C 0.912 175.606 174.700 -0.010 0.000 1.015 228 T CA -0.255 61.837 62.100 -0.014 0.000 1.094 228 T CB 1.450 70.309 68.868 -0.015 0.000 0.968 228 T HN 0.062 nan 8.240 nan 0.000 0.521 229 E N 0.904 121.097 120.200 -0.012 0.000 2.158 229 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 229 E C 1.601 178.196 176.600 -0.008 0.000 0.982 229 E CA 0.682 57.077 56.400 -0.009 0.000 0.823 229 E CB 0.238 29.932 29.700 -0.010 0.000 0.766 229 E HN 0.695 nan 8.360 nan 0.000 0.468 230 E N -0.770 119.425 120.200 -0.009 0.000 2.526 230 E HA 0.076 4.426 4.350 -0.000 0.000 0.208 230 E C 1.633 178.232 176.600 -0.002 0.000 0.997 230 E CA 0.214 56.609 56.400 -0.008 0.000 0.961 230 E CB 0.460 30.156 29.700 -0.007 0.000 1.030 230 E HN 0.225 nan 8.360 nan 0.000 0.483 231 G N 1.576 110.376 108.800 -0.000 0.000 2.514 231 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 231 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 231 G C 1.450 176.361 174.900 0.018 0.000 1.198 231 G CA 0.960 46.065 45.100 0.008 0.000 0.780 231 G HN 0.266 nan 8.290 nan 0.000 0.565 232 I N 0.246 120.826 120.570 0.016 0.000 2.439 232 I HA -0.036 4.134 4.170 -0.000 0.000 0.251 232 I C 2.542 178.667 176.117 0.014 0.000 1.139 232 I CA 0.305 61.618 61.300 0.021 0.000 1.438 232 I CB -0.181 37.831 38.000 0.020 0.000 1.085 232 I HN 0.177 nan 8.210 nan 0.000 0.427 233 L N 1.121 122.344 121.223 0.000 0.000 2.017 233 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 233 L C 2.293 179.151 176.870 -0.021 0.000 1.073 233 L CA 1.894 56.723 54.840 -0.017 0.000 0.745 233 L CB -0.504 41.536 42.059 -0.030 0.000 0.894 233 L HN 0.112 nan 8.230 nan 0.000 0.432 234 L N -1.159 120.062 121.223 -0.004 0.000 2.131 234 L HA -0.233 4.106 4.340 -0.000 0.000 0.210 234 L C 2.521 179.427 176.870 0.061 0.000 1.092 234 L CA 1.141 55.997 54.840 0.027 0.000 0.759 234 L CB -0.472 41.623 42.059 0.060 0.000 0.903 234 L HN 0.344 nan 8.230 nan 0.000 0.435 235 L N -1.234 120.018 121.223 0.049 0.000 2.017 235 L HA -0.208 4.131 4.340 -0.000 0.000 0.208 235 L C 2.505 179.405 176.870 0.050 0.000 1.073 235 L CA 0.956 55.830 54.840 0.058 0.000 0.745 235 L CB -0.407 41.684 42.059 0.054 0.000 0.894 235 L HN 0.038 nan 8.230 nan 0.000 0.432 236 V N -0.138 119.794 119.914 0.031 0.000 2.332 236 V HA -0.307 3.812 4.120 -0.000 0.000 0.248 236 V C 2.504 178.607 176.094 0.015 0.000 1.055 236 V CA 1.797 64.110 62.300 0.023 0.000 1.038 236 V CB -0.682 31.145 31.823 0.006 0.000 0.651 236 V HN 0.432 nan 8.190 nan 0.000 0.450 237 R N 0.177 120.672 120.500 -0.008 0.000 2.189 237 R HA -0.017 4.323 4.340 -0.000 0.000 0.223 237 R C 2.099 178.454 176.300 0.092 0.000 1.092 237 R CA 1.127 57.210 56.100 -0.029 0.000 0.989 237 R CB -0.411 29.751 30.300 -0.230 0.000 0.876 237 R HN 0.528 nan 8.270 nan 0.000 0.457 238 A N 0.654 123.542 122.820 0.112 0.000 2.235 238 A HA 0.054 4.374 4.320 -0.000 0.000 0.208 238 A C 1.057 178.680 177.584 0.065 0.000 1.172 238 A CA 0.238 52.347 52.037 0.119 0.000 0.786 238 A CB -0.123 18.943 19.000 0.109 0.000 0.804 238 A HN 0.149 nan 8.150 nan 0.000 0.479 239 M N 1.611 121.242 119.600 0.051 0.000 3.436 239 M HA 0.104 4.584 4.480 -0.000 0.000 0.240 239 M C -0.765 175.551 176.300 0.026 0.000 1.469 239 M CA -0.064 55.257 55.300 0.033 0.000 1.622 239 M CB -0.370 32.252 32.600 0.037 0.000 1.098 239 M HN 0.086 nan 8.290 nan 0.000 0.568 240 D N 2.473 122.884 120.400 0.018 0.000 2.317 240 D HA 0.244 4.884 4.640 -0.000 0.000 0.234 240 D C -1.855 174.441 176.300 -0.006 0.000 1.112 240 D CA -2.049 51.958 54.000 0.012 0.000 0.840 240 D CB 1.924 42.733 40.800 0.015 0.000 1.078 240 D HN 0.116 nan 8.370 nan 0.000 0.486 241 P HA -0.058 nan 4.420 nan 0.000 0.222 241 P C 0.861 178.152 177.300 -0.015 0.000 1.147 241 P CA 0.780 63.876 63.100 -0.008 0.000 0.790 241 P CB 0.302 32.001 31.700 -0.001 0.000 0.780 242 A N -0.764 122.049 122.820 -0.012 0.000 1.969 242 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 242 A C 1.130 178.696 177.584 -0.029 0.000 1.169 242 A CA 1.124 53.152 52.037 -0.015 0.000 0.635 242 A CB -0.847 18.148 19.000 -0.007 0.000 0.810 242 A HN 0.101 nan 8.150 nan 0.000 0.445 243 V N 0.673 120.561 119.914 -0.043 0.000 2.220 243 V HA 0.184 4.304 4.120 -0.000 0.000 0.265 243 V C -1.987 174.039 176.094 -0.113 0.000 1.078 243 V CA -1.003 61.247 62.300 -0.084 0.000 0.872 243 V CB 0.790 32.553 31.823 -0.100 0.000 1.121 243 V HN 0.191 nan 8.190 nan 0.000 0.460 244 P HA -0.102 nan 4.420 nan 0.000 0.215 244 P C 1.425 178.661 177.300 -0.107 0.000 1.157 244 P CA 1.292 64.347 63.100 -0.075 0.000 0.868 244 P CB 0.234 31.905 31.700 -0.049 0.000 0.788 245 N N -1.087 117.513 118.700 -0.167 0.000 2.188 245 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 245 N C 1.715 177.038 175.510 -0.313 0.000 1.018 245 N CA 1.032 53.972 53.050 -0.183 0.000 0.858 245 N CB -0.701 37.716 38.487 -0.116 0.000 0.989 245 N HN 0.212 nan 8.380 nan 0.000 0.426 246 M N 0.206 119.454 119.600 -0.587 0.000 2.132 246 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 246 M C 2.224 178.471 176.300 -0.088 0.000 1.065 246 M CA 1.180 56.256 55.300 -0.373 0.000 1.122 246 M CB 0.016 32.431 32.600 -0.309 0.000 1.365 246 M HN 0.045 nan 8.290 nan 0.000 0.411 247 M N 0.669 120.219 119.600 -0.083 0.000 2.080 247 M HA -0.234 4.246 4.480 -0.000 0.000 0.260 247 M C 1.813 178.113 176.300 -0.001 0.000 1.068 247 M CA 2.028 57.315 55.300 -0.023 0.000 1.109 247 M CB -0.316 32.271 32.600 -0.022 0.000 1.342 247 M HN 0.370 nan 8.290 nan 0.000 0.405 248 I N 0.341 120.905 120.570 -0.010 0.000 2.194 248 I HA -0.358 3.812 4.170 -0.000 0.000 0.246 248 I C 1.786 177.925 176.117 0.037 0.000 1.093 248 I CA 1.501 62.809 61.300 0.013 0.000 1.355 248 I CB -0.835 37.172 38.000 0.011 0.000 1.046 248 I HN 0.336 nan 8.210 nan 0.000 0.413 249 D N 0.960 121.394 120.400 0.057 0.000 2.084 249 D HA -0.104 4.536 4.640 -0.000 0.000 0.196 249 D C 2.314 178.659 176.300 0.074 0.000 0.985 249 D CA 1.601 55.653 54.000 0.086 0.000 0.826 249 D CB -0.359 40.533 40.800 0.154 0.000 0.978 249 D HN 0.328 nan 8.370 nan 0.000 0.456 250 A N 1.239 124.101 122.820 0.070 0.000 1.865 250 A HA -0.143 4.176 4.320 -0.000 0.000 0.217 250 A C 2.329 179.946 177.584 0.055 0.000 1.191 250 A CA 2.745 54.820 52.037 0.064 0.000 0.623 250 A CB -1.009 18.027 19.000 0.060 0.000 0.826 250 A HN 0.241 nan 8.150 nan 0.000 0.444 251 A N -0.524 122.324 122.820 0.047 0.000 1.883 251 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 251 A C 2.176 179.787 177.584 0.045 0.000 1.186 251 A CA 2.194 54.258 52.037 0.044 0.000 0.624 251 A CB -0.517 18.503 19.000 0.035 0.000 0.822 251 A HN 0.560 nan 8.150 nan 0.000 0.444 252 K N -0.625 119.801 120.400 0.043 0.000 2.097 252 K HA -0.044 4.276 4.320 -0.000 0.000 0.206 252 K C 1.915 178.542 176.600 0.045 0.000 1.049 252 K CA 1.214 57.526 56.287 0.041 0.000 0.933 252 K CB -0.272 32.252 32.500 0.040 0.000 0.717 252 K HN 0.493 nan 8.250 nan 0.000 0.442 253 L N 0.769 122.024 121.223 0.053 0.000 2.027 253 L HA -0.187 4.152 4.340 -0.000 0.000 0.206 253 L C 2.329 179.231 176.870 0.053 0.000 1.074 253 L CA 1.008 55.882 54.840 0.057 0.000 0.745 253 L CB -0.341 41.759 42.059 0.068 0.000 0.898 253 L HN 0.190 nan 8.230 nan 0.000 0.433 254 L N -1.011 120.244 121.223 0.053 0.000 2.079 254 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 254 L C 2.684 179.584 176.870 0.050 0.000 1.081 254 L CA 1.108 55.979 54.840 0.053 0.000 0.752 254 L CB -0.480 41.613 42.059 0.057 0.000 0.896 254 L HN 0.214 nan 8.230 nan 0.000 0.433 255 S N -0.156 115.572 115.700 0.047 0.000 2.382 255 S HA -0.143 4.327 4.470 -0.000 0.000 0.228 255 S C 2.101 176.723 174.600 0.037 0.000 1.027 255 S CA 1.162 59.388 58.200 0.043 0.000 0.991 255 S CB -0.236 62.988 63.200 0.040 0.000 0.823 255 S HN 0.511 nan 8.310 nan 0.000 0.469 256 A N 0.802 123.643 122.820 0.036 0.000 2.066 256 A HA 0.165 4.485 4.320 -0.000 0.000 0.218 256 A C 1.975 179.576 177.584 0.028 0.000 1.157 256 A CA 0.699 52.754 52.037 0.030 0.000 0.670 256 A CB -0.417 18.602 19.000 0.032 0.000 0.804 256 A HN 0.449 nan 8.150 nan 0.000 0.453 257 L N -1.261 119.981 121.223 0.032 0.000 2.127 257 L HA -0.140 4.200 4.340 -0.000 0.000 0.203 257 L C 2.559 179.443 176.870 0.023 0.000 1.080 257 L CA 0.810 55.666 54.840 0.028 0.000 0.768 257 L CB -0.687 41.392 42.059 0.033 0.000 0.924 257 L HN 0.420 nan 8.230 nan 0.000 0.444 258 C N 0.215 119.532 119.300 0.029 0.000 2.401 258 C HA -0.204 4.256 4.460 -0.000 0.000 0.276 258 C C 2.702 177.700 174.990 0.014 0.000 1.233 258 C CA 0.635 59.668 59.018 0.025 0.000 1.753 258 C CB -0.746 27.017 27.740 0.039 0.000 2.029 258 C HN 0.429 nan 8.230 nan 0.000 0.478 259 I N 0.111 120.691 120.570 0.016 0.000 2.454 259 I HA -0.106 4.064 4.170 -0.000 0.000 0.254 259 I C 0.599 176.719 176.117 0.005 0.000 1.156 259 I CA 0.469 61.776 61.300 0.011 0.000 1.433 259 I CB -0.173 37.835 38.000 0.015 0.000 1.082 259 I HN 0.205 nan 8.210 nan 0.000 0.432 260 L N 3.108 124.335 121.223 0.006 0.000 2.615 260 L HA -0.007 4.333 4.340 -0.000 0.000 0.271 260 L C -0.970 175.897 176.870 -0.005 0.000 1.183 260 L CA -0.530 54.311 54.840 0.002 0.000 0.933 260 L CB -0.252 41.809 42.059 0.004 0.000 1.199 260 L HN 0.002 nan 8.230 nan 0.000 0.487 261 P HA -0.136 nan 4.420 nan 0.000 0.219 261 P C 1.057 178.352 177.300 -0.010 0.000 1.154 261 P CA 0.745 63.839 63.100 -0.010 0.000 0.826 261 P CB 0.248 31.943 31.700 -0.007 0.000 0.795 262 Q N 1.161 120.957 119.800 -0.007 0.000 2.014 262 Q HA -0.048 4.292 4.340 -0.000 0.000 0.207 262 Q C -1.093 174.902 176.000 -0.008 0.000 0.993 262 Q CA 0.965 56.765 55.803 -0.006 0.000 0.850 262 Q CB -2.960 25.776 28.738 -0.005 0.000 0.916 262 Q HN 0.331 nan 8.270 nan 0.000 0.417 263 P HA 0.207 nan 4.420 nan 0.000 0.292 263 P C -1.156 176.136 177.300 -0.014 0.000 1.287 263 P CA -0.196 62.898 63.100 -0.010 0.000 0.800 263 P CB 1.173 32.868 31.700 -0.009 0.000 0.945 264 E N 1.716 121.906 120.200 -0.017 0.000 2.360 264 E HA 0.057 4.407 4.350 -0.000 0.000 0.269 264 E C -0.271 176.310 176.600 -0.031 0.000 1.022 264 E CA -0.139 56.246 56.400 -0.025 0.000 0.887 264 E CB 0.074 29.759 29.700 -0.024 0.000 0.990 264 E HN 0.423 nan 8.360 nan 0.000 0.426 265 D N 2.619 122.991 120.400 -0.045 0.000 2.873 265 D HA -0.187 4.453 4.640 -0.000 0.000 0.228 265 D C 0.800 177.076 176.300 -0.040 0.000 1.122 265 D CA 0.376 54.339 54.000 -0.063 0.000 0.758 265 D CB -0.538 40.220 40.800 -0.069 0.000 1.094 265 D HN 0.525 nan 8.370 nan 0.000 0.434 266 M N 0.266 119.851 119.600 -0.026 0.000 2.202 266 M HA -0.144 4.335 4.480 -0.000 0.000 0.262 266 M C 2.153 178.456 176.300 0.005 0.000 1.063 266 M CA 1.463 56.759 55.300 -0.006 0.000 1.097 266 M CB -0.650 31.950 32.600 -0.000 0.000 1.382 266 M HN 0.373 nan 8.290 nan 0.000 0.413 267 N N 0.542 119.238 118.700 -0.007 0.000 2.188 267 N HA -0.196 4.544 4.740 -0.000 0.000 0.184 267 N C 1.285 176.828 175.510 0.055 0.000 1.018 267 N CA 1.390 54.454 53.050 0.024 0.000 0.858 267 N CB -0.699 37.790 38.487 0.003 0.000 0.989 267 N HN 0.504 nan 8.380 nan 0.000 0.426 268 E N 0.189 120.392 120.200 0.004 0.000 2.150 268 E HA -0.025 4.325 4.350 -0.000 0.000 0.193 268 E C 2.106 178.736 176.600 0.050 0.000 0.985 268 E CA 0.239 56.667 56.400 0.047 0.000 0.814 268 E CB 0.009 29.700 29.700 -0.015 0.000 0.752 268 E HN 0.346 nan 8.360 nan 0.000 0.466 269 R N 0.803 121.319 120.500 0.027 0.000 2.092 269 R HA -0.087 4.253 4.340 -0.000 0.000 0.231 269 R C 2.290 178.609 176.300 0.033 0.000 1.119 269 R CA 0.789 56.903 56.100 0.024 0.000 0.970 269 R CB -0.083 30.225 30.300 0.013 0.000 0.864 269 R HN 0.067 nan 8.270 nan 0.000 0.440 270 V N 1.297 121.239 119.914 0.047 0.000 2.270 270 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 270 V C 2.366 178.498 176.094 0.063 0.000 1.043 270 V CA 1.430 63.763 62.300 0.056 0.000 1.014 270 V CB -0.486 31.379 31.823 0.070 0.000 0.645 270 V HN 0.247 nan 8.190 nan 0.000 0.447 271 L N 0.205 121.486 121.223 0.097 0.000 2.013 271 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 271 L C 2.585 179.466 176.870 0.017 0.000 1.073 271 L CA 2.432 57.327 54.840 0.092 0.000 0.753 271 L CB -0.534 41.632 42.059 0.178 0.000 0.890 271 L HN 0.445 nan 8.230 nan 0.000 0.432 272 E N -0.747 119.471 120.200 0.029 0.000 2.070 272 E HA -0.326 4.024 4.350 -0.000 0.000 0.197 272 E C 2.052 178.643 176.600 -0.015 0.000 1.004 272 E CA 1.460 57.863 56.400 0.005 0.000 0.805 272 E CB -0.213 29.497 29.700 0.016 0.000 0.744 272 E HN 0.622 nan 8.360 nan 0.000 0.451 273 A N 0.576 123.393 122.820 -0.006 0.000 1.972 273 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 273 A C 2.154 179.717 177.584 -0.034 0.000 1.169 273 A CA 1.596 53.624 52.037 -0.016 0.000 0.635 273 A CB -0.440 18.559 19.000 -0.002 0.000 0.810 273 A HN 0.313 nan 8.150 nan 0.000 0.446 274 M N -0.881 118.695 119.600 -0.039 0.000 2.319 274 M HA -0.080 4.400 4.480 -0.000 0.000 0.265 274 M C 1.973 178.191 176.300 -0.136 0.000 1.068 274 M CA 1.580 56.833 55.300 -0.079 0.000 1.118 274 M CB -0.489 32.062 32.600 -0.082 0.000 1.395 274 M HN 0.381 nan 8.290 nan 0.000 0.435 275 T N -0.097 114.381 114.554 -0.126 0.000 2.812 275 T HA -0.139 4.211 4.350 -0.000 0.000 0.264 275 T C 1.653 176.301 174.700 -0.087 0.000 1.042 275 T CA 1.283 63.306 62.100 -0.127 0.000 1.140 275 T CB -0.139 68.668 68.868 -0.101 0.000 0.870 275 T HN 0.457 nan 8.240 nan 0.000 0.445 276 E N 1.067 121.228 120.200 -0.065 0.000 2.106 276 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 276 E C 2.295 178.859 176.600 -0.059 0.000 0.984 276 E CA 0.982 57.350 56.400 -0.052 0.000 0.806 276 E CB 0.052 29.728 29.700 -0.041 0.000 0.750 276 E HN 0.434 nan 8.360 nan 0.000 0.458 277 R N 0.185 120.645 120.500 -0.067 0.000 2.153 277 R HA 0.101 4.441 4.340 -0.000 0.000 0.218 277 R C 1.989 178.249 176.300 -0.067 0.000 1.072 277 R CA 1.303 57.361 56.100 -0.071 0.000 0.990 277 R CB -0.414 29.843 30.300 -0.072 0.000 0.889 277 R HN 0.102 nan 8.270 nan 0.000 0.452 278 A N 1.209 123.982 122.820 -0.078 0.000 1.930 278 A HA -0.077 4.242 4.320 -0.000 0.000 0.217 278 A C 1.651 179.199 177.584 -0.060 0.000 1.175 278 A CA 1.431 53.421 52.037 -0.078 0.000 0.627 278 A CB -0.334 18.596 19.000 -0.116 0.000 0.815 278 A HN 0.537 nan 8.150 nan 0.000 0.443 279 E N -0.740 119.426 120.200 -0.058 0.000 2.476 279 E HA 0.038 4.387 4.350 -0.000 0.000 0.191 279 E C 1.563 178.142 176.600 -0.035 0.000 1.064 279 E CA 0.630 57.004 56.400 -0.043 0.000 0.866 279 E CB -0.063 29.613 29.700 -0.040 0.000 0.952 279 E HN 0.941 nan 8.360 nan 0.000 0.492 280 M N -2.045 117.531 119.600 -0.039 0.000 2.638 280 M HA 0.223 4.703 4.480 -0.000 0.000 0.256 280 M C 0.674 176.956 176.300 -0.030 0.000 1.282 280 M CA 0.423 55.703 55.300 -0.034 0.000 1.155 280 M CB 0.340 32.915 32.600 -0.042 0.000 1.345 280 M HN -0.247 nan 8.290 nan 0.000 0.523 281 D N 1.915 122.295 120.400 -0.034 0.000 2.347 281 D HA 0.026 4.665 4.640 -0.000 0.000 0.213 281 D C -0.135 176.154 176.300 -0.019 0.000 0.985 281 D CA 0.603 54.589 54.000 -0.025 0.000 0.879 281 D CB -0.020 40.763 40.800 -0.027 0.000 0.919 281 D HN 0.496 nan 8.370 nan 0.000 0.526 282 E N -0.489 119.698 120.200 -0.022 0.000 2.320 282 E HA -0.177 4.173 4.350 -0.000 0.000 0.234 282 E C -0.731 175.859 176.600 -0.017 0.000 1.183 282 E CA -0.030 56.359 56.400 -0.018 0.000 0.713 282 E CB -1.170 28.524 29.700 -0.010 0.000 1.226 282 E HN 0.080 nan 8.360 nan 0.000 0.382 283 V N -0.018 119.881 119.914 -0.025 0.000 3.160 283 V HA 0.262 4.382 4.120 -0.000 0.000 0.310 283 V C -0.399 175.673 176.094 -0.037 0.000 1.181 283 V CA -0.853 61.434 62.300 -0.022 0.000 1.047 283 V CB 2.169 33.983 31.823 -0.015 0.000 1.068 283 V HN 0.129 nan 8.190 nan 0.000 0.441 284 E N 1.827 122.010 120.200 -0.029 0.000 2.413 284 E HA 0.036 4.386 4.350 -0.000 0.000 0.263 284 E C 0.942 177.490 176.600 -0.087 0.000 1.015 284 E CA 0.180 56.553 56.400 -0.046 0.000 0.916 284 E CB 0.648 30.347 29.700 -0.002 0.000 0.947 284 E HN 0.679 nan 8.360 nan 0.000 0.440 285 R N 1.891 122.271 120.500 -0.200 0.000 2.115 285 R HA -0.059 4.281 4.340 -0.000 0.000 0.230 285 R C 1.352 177.467 176.300 -0.308 0.000 1.111 285 R CA 1.346 57.247 56.100 -0.332 0.000 0.976 285 R CB -0.183 29.787 30.300 -0.551 0.000 0.870 285 R HN 0.363 nan 8.270 nan 0.000 0.445 286 F N 0.451 120.393 119.950 -0.013 0.000 2.660 286 F HA 0.214 4.741 4.527 -0.000 0.000 0.302 286 F C 2.027 177.822 175.800 -0.009 0.000 1.103 286 F CA -0.732 57.262 58.000 -0.009 0.000 1.340 286 F CB 0.433 39.428 39.000 -0.010 0.000 1.048 286 F HN 0.040 nan 8.300 nan 0.000 0.551 287 Q N 1.836 121.709 119.800 0.121 0.000 2.050 287 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 287 Q C -0.796 175.241 176.000 0.061 0.000 0.980 287 Q CA 2.022 57.870 55.803 0.074 0.000 0.840 287 Q CB -1.285 27.475 28.738 0.035 0.000 0.898 287 Q HN 0.151 nan 8.270 nan 0.000 0.424 288 P HA -0.150 nan 4.420 nan 0.000 0.215 288 P C 0.968 178.297 177.300 0.048 0.000 1.153 288 P CA 1.163 64.289 63.100 0.044 0.000 0.853 288 P CB -0.111 31.614 31.700 0.041 0.000 0.788 289 L N -1.790 119.481 121.223 0.080 0.000 2.042 289 L HA -0.187 4.152 4.340 -0.000 0.000 0.210 289 L C 2.436 179.319 176.870 0.021 0.000 1.076 289 L CA 1.389 56.264 54.840 0.058 0.000 0.749 289 L CB -0.859 41.254 42.059 0.089 0.000 0.893 289 L HN -0.004 nan 8.230 nan 0.000 0.432 290 L N -0.768 120.474 121.223 0.032 0.000 2.095 290 L HA -0.161 4.179 4.340 -0.000 0.000 0.204 290 L C 2.198 179.067 176.870 -0.000 0.000 1.080 290 L CA 0.916 55.759 54.840 0.005 0.000 0.759 290 L CB -0.417 41.653 42.059 0.018 0.000 0.914 290 L HN 0.203 nan 8.230 nan 0.000 0.439 291 D N -0.078 120.329 120.400 0.010 0.000 2.149 291 D HA -0.169 4.471 4.640 -0.000 0.000 0.198 291 D C 2.088 178.385 176.300 -0.004 0.000 0.990 291 D CA 1.495 55.497 54.000 0.004 0.000 0.839 291 D CB -0.347 40.459 40.800 0.008 0.000 0.948 291 D HN 0.388 nan 8.370 nan 0.000 0.460 292 G N 0.121 108.919 108.800 -0.003 0.000 2.471 292 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.219 292 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.219 292 G C 1.585 176.473 174.900 -0.021 0.000 1.125 292 G CA 0.121 45.215 45.100 -0.010 0.000 0.775 292 G HN 0.275 nan 8.290 nan 0.000 0.548 293 L N -0.163 121.043 121.223 -0.027 0.000 2.554 293 L HA 0.195 4.535 4.340 -0.000 0.000 0.225 293 L C 0.655 177.501 176.870 -0.039 0.000 1.104 293 L CA -0.234 54.580 54.840 -0.043 0.000 0.866 293 L CB 0.054 42.075 42.059 -0.065 0.000 1.047 293 L HN -0.073 nan 8.230 nan 0.000 0.468 294 K N 1.852 122.235 120.400 -0.028 0.000 2.527 294 K HA 0.021 4.340 4.320 -0.000 0.000 0.278 294 K C 0.495 177.080 176.600 -0.025 0.000 0.981 294 K CA 0.196 56.468 56.287 -0.024 0.000 1.009 294 K CB 0.269 32.760 32.500 -0.016 0.000 0.895 294 K HN 0.098 nan 8.250 nan 0.000 0.493 295 S N 0.513 116.198 115.700 -0.025 0.000 2.533 295 S HA 0.405 4.875 4.470 -0.000 0.000 0.282 295 S C 1.202 175.791 174.600 -0.018 0.000 1.304 295 S CA -0.006 58.180 58.200 -0.023 0.000 1.063 295 S CB 0.937 64.123 63.200 -0.024 0.000 0.881 295 S HN 0.850 nan 8.310 nan 0.000 0.493 296 G N 1.983 110.773 108.800 -0.017 0.000 2.481 296 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.200 296 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.200 296 G C 0.302 175.194 174.900 -0.014 0.000 1.012 296 G CA -0.110 44.982 45.100 -0.014 0.000 0.676 296 G HN 1.362 nan 8.290 nan 0.000 0.488 297 T N 0.962 115.507 114.554 -0.016 0.000 2.860 297 T HA 0.550 4.900 4.350 -0.000 0.000 0.299 297 T C 1.023 175.713 174.700 -0.017 0.000 1.045 297 T CA 0.795 62.885 62.100 -0.017 0.000 1.071 297 T CB 1.347 70.204 68.868 -0.018 0.000 0.985 297 T HN 1.680 nan 8.240 nan 0.000 0.537 298 S N 1.199 116.889 115.700 -0.016 0.000 2.584 298 S HA 0.138 4.608 4.470 -0.000 0.000 0.270 298 S C 1.546 176.137 174.600 -0.015 0.000 1.346 298 S CA -0.302 57.890 58.200 -0.014 0.000 1.018 298 S CB -0.158 63.035 63.200 -0.012 0.000 0.899 298 S HN 0.863 nan 8.310 nan 0.000 0.542 299 I N 0.146 120.708 120.570 -0.013 0.000 2.286 299 I HA 0.062 4.232 4.170 -0.000 0.000 0.248 299 I C 2.415 178.525 176.117 -0.012 0.000 1.115 299 I CA 1.551 62.843 61.300 -0.014 0.000 1.392 299 I CB -1.291 36.701 38.000 -0.013 0.000 1.065 299 I HN 0.701 nan 8.210 nan 0.000 0.418 300 A N 1.092 123.907 122.820 -0.008 0.000 1.940 300 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 300 A C 2.293 179.874 177.584 -0.005 0.000 1.176 300 A CA 2.123 54.157 52.037 -0.004 0.000 0.631 300 A CB -0.998 18.002 19.000 0.001 0.000 0.814 300 A HN 0.547 nan 8.150 nan 0.000 0.446 301 L N -0.445 120.772 121.223 -0.010 0.000 2.044 301 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 301 L C 2.204 179.065 176.870 -0.014 0.000 1.075 301 L CA 2.121 56.954 54.840 -0.012 0.000 0.747 301 L CB -0.488 41.561 42.059 -0.016 0.000 0.903 301 L HN 0.305 nan 8.230 nan 0.000 0.435 302 K N -0.906 119.482 120.400 -0.020 0.000 2.044 302 K HA -0.176 4.144 4.320 -0.000 0.000 0.210 302 K C 1.922 178.505 176.600 -0.029 0.000 1.049 302 K CA 1.889 58.158 56.287 -0.029 0.000 0.927 302 K CB -0.489 31.991 32.500 -0.033 0.000 0.713 302 K HN 0.255 nan 8.250 nan 0.000 0.443 303 V N 0.723 120.625 119.914 -0.019 0.000 2.343 303 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 303 V C 2.360 178.451 176.094 -0.005 0.000 1.051 303 V CA 2.192 64.485 62.300 -0.013 0.000 1.036 303 V CB -0.987 30.833 31.823 -0.006 0.000 0.654 303 V HN 0.534 nan 8.190 nan 0.000 0.451 304 G N -1.136 107.663 108.800 -0.002 0.000 2.421 304 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 304 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 304 G C 1.740 176.644 174.900 0.007 0.000 1.171 304 G CA 1.326 46.431 45.100 0.007 0.000 0.775 304 G HN 0.535 nan 8.290 nan 0.000 0.543 305 C N -0.051 119.247 119.300 -0.004 0.000 2.432 305 C HA 0.099 4.559 4.460 -0.000 0.000 0.277 305 C C 2.783 177.762 174.990 -0.018 0.000 1.249 305 C CA 0.445 59.458 59.018 -0.007 0.000 1.725 305 C CB -1.081 26.647 27.740 -0.019 0.000 2.028 305 C HN 0.438 nan 8.230 nan 0.000 0.477 306 L N 0.435 121.638 121.223 -0.034 0.000 2.083 306 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 306 L C 2.828 179.705 176.870 0.012 0.000 1.083 306 L CA 1.587 56.402 54.840 -0.041 0.000 0.752 306 L CB -0.632 41.388 42.059 -0.064 0.000 0.899 306 L HN 0.507 nan 8.230 nan 0.000 0.433 307 Q N -0.136 119.674 119.800 0.016 0.000 2.096 307 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 307 Q C 2.337 178.361 176.000 0.040 0.000 0.982 307 Q CA 1.716 57.538 55.803 0.031 0.000 0.850 307 Q CB -0.088 28.666 28.738 0.026 0.000 0.901 307 Q HN 0.542 nan 8.270 nan 0.000 0.422 308 L N 0.211 121.455 121.223 0.036 0.000 2.027 308 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 308 L C 2.322 179.221 176.870 0.048 0.000 1.074 308 L CA 1.075 55.944 54.840 0.047 0.000 0.745 308 L CB -0.282 41.809 42.059 0.053 0.000 0.898 308 L HN 0.394 nan 8.230 nan 0.000 0.433 309 I N 0.394 120.979 120.570 0.026 0.000 2.113 309 I HA -0.409 3.761 4.170 -0.000 0.000 0.242 309 I C 2.190 178.351 176.117 0.073 0.000 1.064 309 I CA 1.624 62.931 61.300 0.011 0.000 1.320 309 I CB -0.482 37.512 38.000 -0.010 0.000 1.028 309 I HN 0.397 nan 8.210 nan 0.000 0.406 310 N N 0.872 119.635 118.700 0.106 0.000 2.120 310 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 310 N C 1.804 177.355 175.510 0.069 0.000 1.024 310 N CA 1.664 54.779 53.050 0.110 0.000 0.852 310 N CB -0.454 38.100 38.487 0.111 0.000 1.003 310 N HN 0.408 nan 8.380 nan 0.000 0.424 311 A N 0.678 123.535 122.820 0.062 0.000 2.014 311 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 311 A C 2.312 179.934 177.584 0.063 0.000 1.163 311 A CA 0.661 52.730 52.037 0.053 0.000 0.652 311 A CB -0.509 18.521 19.000 0.049 0.000 0.808 311 A HN 0.204 nan 8.150 nan 0.000 0.449 312 L N -0.918 120.355 121.223 0.083 0.000 2.109 312 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 312 L C 2.284 179.249 176.870 0.159 0.000 1.086 312 L CA 1.055 55.971 54.840 0.127 0.000 0.760 312 L CB -0.334 41.814 42.059 0.149 0.000 0.910 312 L HN 0.361 nan 8.230 nan 0.000 0.437 313 I N -1.322 119.316 120.570 0.113 0.000 2.585 313 I HA -0.145 4.024 4.170 -0.000 0.000 0.254 313 I C 2.418 178.575 176.117 0.066 0.000 1.129 313 I CA 0.701 62.070 61.300 0.114 0.000 1.455 313 I CB -0.302 37.718 38.000 0.034 0.000 1.111 313 I HN 0.140 nan 8.210 nan 0.000 0.433 314 T N 1.804 116.380 114.554 0.037 0.000 2.607 314 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 314 T C -0.371 174.330 174.700 0.001 0.000 1.049 314 T CA 1.681 63.791 62.100 0.016 0.000 1.162 314 T CB -1.477 67.401 68.868 0.017 0.000 0.863 314 T HN 0.247 nan 8.240 nan 0.000 0.424 315 P HA 0.242 nan 4.420 nan 0.000 0.233 315 P C -0.024 177.228 177.300 -0.080 0.000 1.167 315 P CA 0.299 63.376 63.100 -0.039 0.000 0.770 315 P CB -0.157 31.518 31.700 -0.042 0.000 0.837 316 A N 0.821 123.583 122.820 -0.097 0.000 2.484 316 A HA 0.003 4.323 4.320 -0.000 0.000 0.268 316 A C 1.176 178.717 177.584 -0.073 0.000 1.114 316 A CA 0.121 52.051 52.037 -0.178 0.000 0.780 316 A CB -0.154 18.758 19.000 -0.146 0.000 1.061 316 A HN 0.166 nan 8.150 nan 0.000 0.505 317 E N 1.858 122.008 120.200 -0.085 0.000 2.230 317 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 317 E C 0.354 176.956 176.600 0.003 0.000 0.987 317 E CA 0.362 56.743 56.400 -0.031 0.000 0.841 317 E CB 0.214 29.892 29.700 -0.036 0.000 0.783 317 E HN 0.850 nan 8.360 nan 0.000 0.481 318 E N 2.085 122.292 120.200 0.012 0.000 2.223 318 E HA -0.001 4.349 4.350 -0.000 0.000 0.282 318 E C 0.803 177.476 176.600 0.121 0.000 1.046 318 E CA -0.307 56.133 56.400 0.068 0.000 0.857 318 E CB 0.755 30.509 29.700 0.091 0.000 1.055 318 E HN 0.098 nan 8.360 nan 0.000 0.409 319 L N 5.262 126.540 121.223 0.091 0.000 2.127 319 L HA -0.181 4.159 4.340 -0.000 0.000 0.211 319 L C 0.851 177.788 176.870 0.111 0.000 1.089 319 L CA 1.934 56.828 54.840 0.089 0.000 0.757 319 L CB -0.348 41.745 42.059 0.055 0.000 0.899 319 L HN 0.639 nan 8.230 nan 0.000 0.434 320 D N -0.414 120.059 120.400 0.121 0.000 2.144 320 D HA -0.232 4.408 4.640 -0.000 0.000 0.199 320 D C 1.936 178.351 176.300 0.193 0.000 0.984 320 D CA 1.194 55.270 54.000 0.127 0.000 0.834 320 D CB -0.303 40.566 40.800 0.114 0.000 0.955 320 D HN 0.420 nan 8.370 nan 0.000 0.465 321 F N 1.495 121.497 119.950 0.088 0.000 2.113 321 F HA -0.089 4.438 4.527 -0.000 0.000 0.297 321 F C 2.408 178.251 175.800 0.073 0.000 1.103 321 F CA 1.246 59.299 58.000 0.089 0.000 1.248 321 F CB 0.108 39.135 39.000 0.044 0.000 0.999 321 F HN -0.228 nan 8.300 nan 0.000 0.475 322 R N -0.368 120.317 120.500 0.310 0.000 2.083 322 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 322 R C 2.292 178.623 176.300 0.050 0.000 1.137 322 R CA 1.700 57.900 56.100 0.167 0.000 0.951 322 R CB -1.020 29.352 30.300 0.120 0.000 0.851 322 R HN 0.376 nan 8.270 nan 0.000 0.434 323 V N 0.794 120.747 119.914 0.065 0.000 2.427 323 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 323 V C 2.237 178.366 176.094 0.058 0.000 1.051 323 V CA 2.020 64.347 62.300 0.046 0.000 1.048 323 V CB -0.462 31.389 31.823 0.047 0.000 0.666 323 V HN 0.402 nan 8.190 nan 0.000 0.456 324 H N 1.429 120.452 119.070 -0.078 0.000 2.265 324 H HA -0.188 4.368 4.556 -0.000 0.000 0.295 324 H C 2.167 177.414 175.328 -0.136 0.000 1.084 324 H CA 2.947 58.923 56.048 -0.121 0.000 1.261 324 H CB -0.598 29.051 29.762 -0.189 0.000 1.360 324 H HN 0.616 nan 8.280 nan 0.000 0.487 325 I N -0.230 120.264 120.570 -0.126 0.000 2.439 325 I HA -0.046 4.124 4.170 -0.000 0.000 0.251 325 I C 2.665 178.731 176.117 -0.085 0.000 1.139 325 I CA 1.387 62.606 61.300 -0.135 0.000 1.438 325 I CB -0.486 37.367 38.000 -0.244 0.000 1.085 325 I HN 0.065 nan 8.210 nan 0.000 0.427 326 R N 1.199 121.661 120.500 -0.063 0.000 2.096 326 R HA -0.137 4.202 4.340 -0.000 0.000 0.235 326 R C 2.137 178.420 176.300 -0.029 0.000 1.127 326 R CA 1.901 57.968 56.100 -0.054 0.000 0.968 326 R CB -0.291 29.966 30.300 -0.071 0.000 0.861 326 R HN 0.676 nan 8.270 nan 0.000 0.440 327 S N -0.371 115.335 115.700 0.009 0.000 2.470 327 S HA -0.053 4.416 4.470 -0.000 0.000 0.225 327 S C 1.690 176.317 174.600 0.045 0.000 1.006 327 S CA 0.571 58.783 58.200 0.020 0.000 0.934 327 S CB 0.132 63.347 63.200 0.025 0.000 0.778 327 S HN 0.423 nan 8.310 nan 0.000 0.517 328 E N 0.548 120.802 120.200 0.090 0.000 2.152 328 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 328 E C 1.619 178.297 176.600 0.130 0.000 0.983 328 E CA 0.568 57.058 56.400 0.149 0.000 0.818 328 E CB -0.034 29.830 29.700 0.272 0.000 0.758 328 E HN 0.301 nan 8.360 nan 0.000 0.467 329 L N 0.293 121.526 121.223 0.018 0.000 2.005 329 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 329 L C 2.347 179.213 176.870 -0.006 0.000 1.072 329 L CA 1.504 56.314 54.840 -0.049 0.000 0.744 329 L CB -0.797 41.172 42.059 -0.150 0.000 0.895 329 L HN 0.259 nan 8.230 nan 0.000 0.433 330 M N -0.787 118.807 119.600 -0.011 0.000 2.106 330 M HA -0.212 4.267 4.480 -0.000 0.000 0.259 330 M C 2.372 178.691 176.300 0.031 0.000 1.068 330 M CA 1.476 56.777 55.300 0.000 0.000 1.100 330 M CB -0.593 31.990 32.600 -0.029 0.000 1.351 330 M HN 0.113 nan 8.290 nan 0.000 0.404 331 R N -0.248 120.272 120.500 0.033 0.000 2.105 331 R HA -0.122 4.218 4.340 -0.000 0.000 0.239 331 R C 1.407 177.731 176.300 0.039 0.000 1.135 331 R CA 1.216 57.336 56.100 0.035 0.000 0.967 331 R CB -0.431 29.890 30.300 0.034 0.000 0.861 331 R HN 0.387 nan 8.270 nan 0.000 0.442 332 L N 0.232 121.483 121.223 0.047 0.000 2.660 332 L HA 0.154 4.494 4.340 -0.000 0.000 0.238 332 L C 0.820 177.710 176.870 0.033 0.000 1.161 332 L CA 0.510 55.377 54.840 0.045 0.000 0.937 332 L CB 0.271 42.369 42.059 0.066 0.000 1.122 332 L HN 0.537 nan 8.230 nan 0.000 0.435 333 G N 0.151 108.973 108.800 0.037 0.000 2.142 333 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.225 333 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.225 333 G C 0.626 175.542 174.900 0.027 0.000 1.015 333 G CA 0.312 45.436 45.100 0.041 0.000 0.716 333 G HN 0.298 nan 8.290 nan 0.000 0.508 334 L N 0.202 121.433 121.223 0.013 0.000 2.083 334 L HA 0.062 4.402 4.340 -0.000 0.000 0.209 334 L C 2.382 179.244 176.870 -0.013 0.000 1.083 334 L CA 3.097 57.914 54.840 -0.038 0.000 0.752 334 L CB -0.526 41.484 42.059 -0.082 0.000 0.899 334 L HN 0.523 nan 8.230 nan 0.000 0.433 335 H N -0.945 118.111 119.070 -0.023 0.000 2.319 335 H HA -0.232 4.324 4.556 -0.000 0.000 0.299 335 H C 2.240 177.582 175.328 0.023 0.000 1.092 335 H CA 2.336 58.414 56.048 0.049 0.000 1.302 335 H CB 0.013 29.856 29.762 0.134 0.000 1.373 335 H HN 0.474 nan 8.280 nan 0.000 0.497 336 Q N 0.334 120.106 119.800 -0.046 0.000 2.123 336 Q HA -0.063 4.277 4.340 -0.000 0.000 0.199 336 Q C 2.520 178.456 176.000 -0.107 0.000 0.966 336 Q CA 1.702 57.440 55.803 -0.107 0.000 0.845 336 Q CB -0.550 28.180 28.738 -0.014 0.000 0.907 336 Q HN 0.492 nan 8.270 nan 0.000 0.439 337 V N -1.264 118.601 119.914 -0.081 0.000 2.759 337 V HA -0.102 4.018 4.120 -0.000 0.000 0.256 337 V C 1.912 177.936 176.094 -0.117 0.000 1.080 337 V CA 1.338 63.587 62.300 -0.085 0.000 1.101 337 V CB -0.536 31.243 31.823 -0.073 0.000 0.698 337 V HN 0.312 nan 8.190 nan 0.000 0.477 338 L N 0.428 121.561 121.223 -0.151 0.000 2.217 338 L HA 0.002 4.342 4.340 -0.000 0.000 0.211 338 L C 2.723 179.506 176.870 -0.145 0.000 1.107 338 L CA 1.660 56.397 54.840 -0.172 0.000 0.783 338 L CB -0.693 41.252 42.059 -0.190 0.000 0.919 338 L HN 0.363 nan 8.230 nan 0.000 0.442 339 Q N -0.351 119.350 119.800 -0.165 0.000 2.084 339 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 339 Q C 1.996 177.942 176.000 -0.091 0.000 0.978 339 Q CA 1.628 57.351 55.803 -0.134 0.000 0.844 339 Q CB -0.305 28.346 28.738 -0.145 0.000 0.898 339 Q HN 0.621 nan 8.270 nan 0.000 0.426 340 E N 0.668 120.817 120.200 -0.085 0.000 2.058 340 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 340 E C 2.181 178.745 176.600 -0.060 0.000 0.997 340 E CA 0.880 57.242 56.400 -0.064 0.000 0.801 340 E CB -0.113 29.552 29.700 -0.058 0.000 0.746 340 E HN 0.317 nan 8.360 nan 0.000 0.450 341 L N 0.112 121.291 121.223 -0.072 0.000 2.313 341 L HA -0.031 4.309 4.340 -0.000 0.000 0.214 341 L C 2.433 179.269 176.870 -0.055 0.000 1.119 341 L CA 0.423 55.223 54.840 -0.066 0.000 0.809 341 L CB -0.231 41.777 42.059 -0.085 0.000 0.933 341 L HN -0.054 nan 8.230 nan 0.000 0.449 342 R N 0.341 120.806 120.500 -0.058 0.000 2.285 342 R HA -0.163 4.177 4.340 -0.000 0.000 0.213 342 R C 2.001 178.281 176.300 -0.033 0.000 1.068 342 R CA 0.811 56.886 56.100 -0.043 0.000 1.004 342 R CB 0.015 30.289 30.300 -0.044 0.000 0.873 342 R HN 0.269 nan 8.270 nan 0.000 0.467 343 E N 0.058 120.237 120.200 -0.036 0.000 2.099 343 E HA 0.051 4.401 4.350 -0.000 0.000 0.191 343 E C 0.050 176.636 176.600 -0.024 0.000 0.962 343 E CA 0.415 56.798 56.400 -0.029 0.000 0.826 343 E CB 0.058 29.740 29.700 -0.030 0.000 0.788 343 E HN 0.370 nan 8.360 nan 0.000 0.461 344 I N 1.081 121.635 120.570 -0.026 0.000 2.581 344 I HA 0.109 4.279 4.170 -0.000 0.000 0.285 344 I C -0.491 175.615 176.117 -0.018 0.000 1.129 344 I CA 0.196 61.483 61.300 -0.022 0.000 1.397 344 I CB 0.533 38.518 38.000 -0.023 0.000 1.399 344 I HN -0.061 nan 8.210 nan 0.000 0.537 345 E N 5.479 125.671 120.200 -0.014 0.000 1.791 345 E HA 0.108 4.458 4.350 -0.000 0.000 0.263 345 E C -0.611 175.983 176.600 -0.010 0.000 1.213 345 E CA -0.072 56.321 56.400 -0.011 0.000 0.991 345 E CB 0.103 29.798 29.700 -0.010 0.000 1.068 345 E HN 0.539 nan 8.360 nan 0.000 0.417 346 N N 1.875 120.569 118.700 -0.010 0.000 2.336 346 N HA 0.022 4.762 4.740 -0.000 0.000 0.290 346 N C 0.114 175.620 175.510 -0.006 0.000 1.058 346 N CA -0.425 52.620 53.050 -0.008 0.000 0.865 346 N CB 1.623 40.104 38.487 -0.010 0.000 1.581 346 N HN 0.187 nan 8.380 nan 0.000 0.480 347 E N 1.554 121.751 120.200 -0.004 0.000 2.150 347 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 347 E C 0.119 176.719 176.600 0.000 0.000 0.985 347 E CA 1.227 57.627 56.400 -0.001 0.000 0.814 347 E CB 0.317 30.017 29.700 -0.000 0.000 0.752 347 E HN 0.586 nan 8.360 nan 0.000 0.466 348 D N -0.080 120.320 120.400 -0.000 0.000 2.194 348 D HA -0.113 4.527 4.640 -0.000 0.000 0.204 348 D C 1.831 178.131 176.300 -0.000 0.000 0.964 348 D CA 0.688 54.688 54.000 0.001 0.000 0.846 348 D CB 0.030 40.830 40.800 0.001 0.000 0.962 348 D HN 0.229 nan 8.370 nan 0.000 0.490 349 M N 1.354 120.950 119.600 -0.006 0.000 2.200 349 M HA -0.054 4.426 4.480 -0.000 0.000 0.265 349 M C 1.714 178.009 176.300 -0.008 0.000 1.066 349 M CA 1.506 56.798 55.300 -0.013 0.000 1.127 349 M CB 0.000 32.588 32.600 -0.021 0.000 1.379 349 M HN -0.274 nan 8.290 nan 0.000 0.420 350 K N -0.516 119.881 120.400 -0.004 0.000 2.148 350 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 350 K C 1.783 178.390 176.600 0.012 0.000 1.050 350 K CA 1.579 57.867 56.287 0.002 0.000 0.942 350 K CB -0.487 32.013 32.500 0.000 0.000 0.724 350 K HN 0.484 nan 8.250 nan 0.000 0.446 351 V N -1.106 118.816 119.914 0.012 0.000 2.548 351 V HA -0.153 3.967 4.120 -0.000 0.000 0.249 351 V C 1.881 177.993 176.094 0.031 0.000 1.055 351 V CA 1.168 63.480 62.300 0.020 0.000 1.065 351 V CB -0.316 31.516 31.823 0.016 0.000 0.681 351 V HN 0.141 nan 8.190 nan 0.000 0.462 352 Q N 0.368 120.185 119.800 0.028 0.000 2.137 352 Q HA 0.186 4.526 4.340 -0.000 0.000 0.198 352 Q C 2.271 178.311 176.000 0.067 0.000 0.960 352 Q CA 1.556 57.384 55.803 0.041 0.000 0.847 352 Q CB -0.384 28.366 28.738 0.019 0.000 0.915 352 Q HN 0.654 nan 8.270 nan 0.000 0.448 353 L N -0.256 120.990 121.223 0.037 0.000 2.083 353 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 353 L C 2.671 179.610 176.870 0.115 0.000 1.083 353 L CA 0.915 55.786 54.840 0.051 0.000 0.752 353 L CB -0.462 41.600 42.059 0.006 0.000 0.899 353 L HN 0.293 nan 8.230 nan 0.000 0.433 354 C N -0.779 118.567 119.300 0.077 0.000 2.432 354 C HA -0.116 4.344 4.460 -0.000 0.000 0.277 354 C C 2.784 177.823 174.990 0.082 0.000 1.249 354 C CA 0.760 59.819 59.018 0.069 0.000 1.725 354 C CB -0.396 27.368 27.740 0.040 0.000 2.028 354 C HN 0.355 nan 8.230 nan 0.000 0.477 355 V N 0.273 120.240 119.914 0.087 0.000 2.295 355 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 355 V C 2.105 178.258 176.094 0.098 0.000 1.049 355 V CA 2.505 64.851 62.300 0.077 0.000 1.024 355 V CB -1.011 30.854 31.823 0.070 0.000 0.648 355 V HN 0.640 nan 8.190 nan 0.000 0.447 356 F N 1.287 121.242 119.950 0.008 0.000 2.069 356 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 356 F C 2.307 178.123 175.800 0.027 0.000 1.113 356 F CA 2.256 60.262 58.000 0.010 0.000 1.214 356 F CB -0.277 38.721 39.000 -0.003 0.000 0.978 356 F HN 0.203 nan 8.300 nan 0.000 0.474 357 D N 0.054 120.619 120.400 0.275 0.000 2.144 357 D HA -0.195 4.445 4.640 -0.000 0.000 0.199 357 D C 2.158 178.487 176.300 0.048 0.000 0.984 357 D CA 1.347 55.452 54.000 0.176 0.000 0.834 357 D CB -0.427 40.469 40.800 0.161 0.000 0.955 357 D HN 0.506 nan 8.370 nan 0.000 0.465 358 E N 0.019 120.238 120.200 0.031 0.000 2.106 358 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 358 E C 1.899 178.489 176.600 -0.016 0.000 0.984 358 E CA 0.853 57.256 56.400 0.006 0.000 0.806 358 E CB 0.201 29.905 29.700 0.008 0.000 0.750 358 E HN 0.028 nan 8.360 nan 0.000 0.458 359 Q N -0.289 119.477 119.800 -0.058 0.000 2.083 359 Q HA -0.032 4.308 4.340 -0.000 0.000 0.198 359 Q C 1.965 177.908 176.000 -0.096 0.000 0.969 359 Q CA 1.805 57.556 55.803 -0.086 0.000 0.838 359 Q CB -0.604 28.052 28.738 -0.136 0.000 0.900 359 Q HN 0.302 nan 8.270 nan 0.000 0.436 360 G N -0.033 108.659 108.800 -0.180 0.000 2.432 360 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 360 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 360 G C 0.948 175.899 174.900 0.084 0.000 1.135 360 G CA 1.059 46.109 45.100 -0.083 0.000 0.767 360 G HN 0.364 nan 8.290 nan 0.000 0.550 361 D N 0.432 120.869 120.400 0.062 0.000 2.084 361 D HA -0.025 4.615 4.640 -0.000 0.000 0.196 361 D C 2.494 178.906 176.300 0.186 0.000 0.985 361 D CA 0.881 54.943 54.000 0.104 0.000 0.826 361 D CB -0.196 40.623 40.800 0.032 0.000 0.978 361 D HN 0.413 nan 8.370 nan 0.000 0.456 362 E N 0.183 120.450 120.200 0.111 0.000 2.110 362 E HA -0.153 4.196 4.350 -0.000 0.000 0.193 362 E C 1.345 178.062 176.600 0.195 0.000 0.988 362 E CA 0.940 57.420 56.400 0.134 0.000 0.804 362 E CB 0.054 29.792 29.700 0.063 0.000 0.745 362 E HN 0.266 nan 8.360 nan 0.000 0.458 363 D N 0.079 120.567 120.400 0.146 0.000 2.144 363 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 363 D C 1.547 177.946 176.300 0.166 0.000 0.978 363 D CA 0.540 54.616 54.000 0.128 0.000 0.833 363 D CB -0.293 40.552 40.800 0.075 0.000 0.961 363 D HN 0.090 nan 8.370 nan 0.000 0.470 364 F N 0.749 120.751 119.950 0.086 0.000 2.046 364 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 364 F C 2.111 177.981 175.800 0.117 0.000 1.123 364 F CA 1.147 59.200 58.000 0.088 0.000 1.199 364 F CB -0.506 38.544 39.000 0.083 0.000 0.972 364 F HN -0.113 nan 8.300 nan 0.000 0.474 365 F N 1.760 121.783 119.950 0.122 0.000 2.063 365 F HA -0.320 4.207 4.527 -0.000 0.000 0.298 365 F C 2.284 178.033 175.800 -0.086 0.000 1.109 365 F CA 2.444 60.452 58.000 0.012 0.000 1.212 365 F CB -0.930 38.119 39.000 0.083 0.000 0.973 365 F HN 0.036 nan 8.300 nan 0.000 0.480 366 D N -0.001 120.398 120.400 -0.001 0.000 2.097 366 D HA -0.169 4.471 4.640 -0.000 0.000 0.195 366 D C 2.250 178.447 176.300 -0.172 0.000 0.989 366 D CA 1.356 55.293 54.000 -0.106 0.000 0.827 366 D CB -0.667 40.143 40.800 0.017 0.000 0.966 366 D HN 0.297 nan 8.370 nan 0.000 0.456 367 L N 0.600 121.731 121.223 -0.154 0.000 2.156 367 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 367 L C 2.005 178.720 176.870 -0.259 0.000 1.095 367 L CA 1.395 56.136 54.840 -0.166 0.000 0.770 367 L CB -0.255 41.736 42.059 -0.114 0.000 0.914 367 L HN -0.172 nan 8.230 nan 0.000 0.439 368 K N -0.538 119.615 120.400 -0.412 0.000 2.097 368 K HA -0.039 4.281 4.320 -0.000 0.000 0.205 368 K C 1.995 178.398 176.600 -0.328 0.000 1.050 368 K CA 1.435 57.456 56.287 -0.444 0.000 0.938 368 K CB -0.789 31.320 32.500 -0.653 0.000 0.718 368 K HN 0.294 nan 8.250 nan 0.000 0.442 369 G N 0.143 108.722 108.800 -0.368 0.000 2.432 369 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.219 369 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.219 369 G C 1.640 176.418 174.900 -0.202 0.000 1.135 369 G CA 0.765 45.677 45.100 -0.314 0.000 0.767 369 G HN 0.291 nan 8.290 nan 0.000 0.550 370 R N -0.883 119.511 120.500 -0.176 0.000 2.115 370 R HA 0.107 4.446 4.340 -0.000 0.000 0.226 370 R C 2.375 178.609 176.300 -0.109 0.000 1.100 370 R CA 0.734 56.763 56.100 -0.119 0.000 0.980 370 R CB -0.288 29.955 30.300 -0.095 0.000 0.875 370 R HN 0.377 nan 8.270 nan 0.000 0.445 371 L N 0.613 121.757 121.223 -0.131 0.000 2.131 371 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 371 L C 1.039 177.845 176.870 -0.107 0.000 1.087 371 L CA 1.822 56.594 54.840 -0.112 0.000 0.767 371 L CB -0.226 41.758 42.059 -0.125 0.000 0.917 371 L HN 0.087 nan 8.230 nan 0.000 0.441 372 D N -0.122 120.203 120.400 -0.125 0.000 2.144 372 D HA -0.184 4.456 4.640 -0.000 0.000 0.199 372 D C 1.601 177.847 176.300 -0.090 0.000 0.984 372 D CA 1.450 55.386 54.000 -0.107 0.000 0.834 372 D CB -0.099 40.629 40.800 -0.120 0.000 0.955 372 D HN 0.413 nan 8.370 nan 0.000 0.465 373 D N 0.129 120.474 120.400 -0.092 0.000 2.103 373 D HA -0.058 4.582 4.640 -0.000 0.000 0.199 373 D C 2.116 178.377 176.300 -0.065 0.000 0.978 373 D CA 0.197 54.153 54.000 -0.074 0.000 0.829 373 D CB -0.243 40.514 40.800 -0.072 0.000 0.981 373 D HN 0.103 nan 8.370 nan 0.000 0.464 374 I N 0.742 121.273 120.570 -0.065 0.000 2.264 374 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 374 I C 2.220 178.296 176.117 -0.067 0.000 1.111 374 I CA 1.169 62.434 61.300 -0.058 0.000 1.382 374 I CB -0.052 37.918 38.000 -0.050 0.000 1.060 374 I HN -0.090 nan 8.210 nan 0.000 0.418 375 R N -0.972 119.484 120.500 -0.074 0.000 2.148 375 R HA -0.063 4.277 4.340 -0.000 0.000 0.223 375 R C 2.096 178.351 176.300 -0.075 0.000 1.088 375 R CA 0.945 56.998 56.100 -0.079 0.000 0.985 375 R CB -0.141 30.113 30.300 -0.078 0.000 0.880 375 R HN 0.274 nan 8.270 nan 0.000 0.451 376 M N 0.112 119.673 119.600 -0.066 0.000 2.160 376 M HA -0.070 4.410 4.480 -0.000 0.000 0.264 376 M C 1.723 177.989 176.300 -0.057 0.000 1.073 376 M CA 1.715 56.980 55.300 -0.058 0.000 1.142 376 M CB -0.494 32.074 32.600 -0.053 0.000 1.358 376 M HN 0.113 nan 8.290 nan 0.000 0.422 377 E N -0.122 120.045 120.200 -0.055 0.000 2.014 377 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 377 E C 0.476 177.040 176.600 -0.060 0.000 0.980 377 E CA 0.655 57.024 56.400 -0.051 0.000 0.807 377 E CB 0.061 29.735 29.700 -0.043 0.000 0.770 377 E HN 0.258 nan 8.360 nan 0.000 0.451 378 M N 2.777 122.336 119.600 -0.067 0.000 3.422 378 M HA 0.030 4.510 4.480 -0.000 0.000 0.248 378 M C -0.054 176.172 176.300 -0.122 0.000 1.433 378 M CA 0.217 55.467 55.300 -0.084 0.000 1.592 378 M CB -0.543 32.015 32.600 -0.069 0.000 1.078 378 M HN 0.121 nan 8.290 nan 0.000 0.578 379 D N -0.081 120.244 120.400 -0.124 0.000 2.349 379 D HA -0.015 4.625 4.640 -0.000 0.000 0.215 379 D C -0.004 176.170 176.300 -0.210 0.000 1.016 379 D CA 0.314 54.226 54.000 -0.146 0.000 0.870 379 D CB 0.577 41.313 40.800 -0.107 0.000 0.917 379 D HN 0.474 nan 8.370 nan 0.000 0.524 380 D N -1.290 118.966 120.400 -0.239 0.000 2.664 380 D HA 0.076 4.715 4.640 -0.000 0.000 0.292 380 D C 0.350 176.411 176.300 -0.398 0.000 1.214 380 D CA -0.894 52.905 54.000 -0.335 0.000 0.932 380 D CB 0.164 40.851 40.800 -0.187 0.000 1.420 380 D HN -0.126 nan 8.370 nan 0.000 0.471 381 F N 0.482 120.232 119.950 -0.333 0.000 2.134 381 F HA 0.062 4.589 4.527 -0.000 0.000 0.299 381 F C 2.635 177.966 175.800 -0.781 0.000 1.097 381 F CA 1.571 59.148 58.000 -0.706 0.000 1.264 381 F CB -0.286 38.240 39.000 -0.789 0.000 1.001 381 F HN 0.581 nan 8.300 nan 0.000 0.479 382 G N -0.013 108.670 108.800 -0.194 0.000 2.491 382 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 382 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 382 G C 1.569 176.453 174.900 -0.028 0.000 1.180 382 G CA 1.019 46.089 45.100 -0.049 0.000 0.774 382 G HN 0.250 nan 8.290 nan 0.000 0.562 383 E N 0.191 120.352 120.200 -0.065 0.000 2.049 383 E HA -0.141 4.209 4.350 -0.000 0.000 0.198 383 E C 2.845 179.433 176.600 -0.021 0.000 1.007 383 E CA 1.416 57.791 56.400 -0.043 0.000 0.809 383 E CB -0.637 29.022 29.700 -0.069 0.000 0.749 383 E HN 0.330 nan 8.360 nan 0.000 0.450 384 V N 1.184 121.056 119.914 -0.070 0.000 2.427 384 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 384 V C 2.206 178.410 176.094 0.183 0.000 1.051 384 V CA 1.440 63.744 62.300 0.007 0.000 1.048 384 V CB -0.586 31.209 31.823 -0.046 0.000 0.666 384 V HN 0.094 nan 8.190 nan 0.000 0.456 385 F N 0.061 120.065 119.950 0.090 0.000 2.134 385 F HA -0.135 4.392 4.527 -0.000 0.000 0.299 385 F C 2.601 178.410 175.800 0.015 0.000 1.097 385 F CA 0.924 58.962 58.000 0.063 0.000 1.264 385 F CB -1.164 37.879 39.000 0.071 0.000 1.001 385 F HN 0.174 nan 8.300 nan 0.000 0.479 386 Q N -0.019 119.899 119.800 0.198 0.000 2.124 386 Q HA -0.144 4.195 4.340 -0.000 0.000 0.202 386 Q C 2.396 178.424 176.000 0.048 0.000 0.977 386 Q CA 0.990 56.850 55.803 0.094 0.000 0.850 386 Q CB -0.538 28.236 28.738 0.060 0.000 0.901 386 Q HN 0.312 nan 8.270 nan 0.000 0.429 387 I N 0.386 120.982 120.570 0.044 0.000 2.226 387 I HA -0.222 3.947 4.170 -0.000 0.000 0.245 387 I C 2.334 178.425 176.117 -0.043 0.000 1.100 387 I CA 0.936 62.238 61.300 0.003 0.000 1.374 387 I CB -1.141 36.862 38.000 0.006 0.000 1.057 387 I HN 0.145 nan 8.210 nan 0.000 0.413 388 I N 0.310 120.857 120.570 -0.038 0.000 2.226 388 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 388 I C 2.521 178.552 176.117 -0.144 0.000 1.100 388 I CA 1.217 62.411 61.300 -0.177 0.000 1.374 388 I CB -0.273 37.640 38.000 -0.144 0.000 1.057 388 I HN 0.132 nan 8.210 nan 0.000 0.413 389 L N 0.273 121.461 121.223 -0.057 0.000 2.056 389 L HA -0.175 4.164 4.340 -0.000 0.000 0.207 389 L C 2.154 178.994 176.870 -0.050 0.000 1.078 389 L CA 1.198 56.008 54.840 -0.051 0.000 0.749 389 L CB -0.646 41.403 42.059 -0.017 0.000 0.901 389 L HN 0.270 nan 8.230 nan 0.000 0.433 390 N N -1.264 117.413 118.700 -0.038 0.000 2.270 390 N HA -0.106 4.634 4.740 -0.000 0.000 0.181 390 N C 1.691 177.173 175.510 -0.046 0.000 1.016 390 N CA 1.378 54.408 53.050 -0.033 0.000 0.870 390 N CB -0.061 38.414 38.487 -0.020 0.000 0.979 390 N HN 0.173 nan 8.380 nan 0.000 0.431 391 T N -1.252 113.258 114.554 -0.072 0.000 2.987 391 T HA 0.236 4.586 4.350 -0.000 0.000 0.248 391 T C 1.645 176.281 174.700 -0.108 0.000 0.997 391 T CA 0.059 62.113 62.100 -0.077 0.000 1.013 391 T CB 0.515 69.339 68.868 -0.074 0.000 1.077 391 T HN -0.116 nan 8.240 nan 0.000 0.483 392 V N 0.505 120.315 119.914 -0.174 0.000 2.806 392 V HA 0.298 4.418 4.120 -0.000 0.000 0.239 392 V C 0.946 176.956 176.094 -0.139 0.000 1.113 392 V CA 0.039 62.209 62.300 -0.217 0.000 1.137 392 V CB 0.008 31.518 31.823 -0.522 0.000 0.865 392 V HN 0.195 nan 8.190 nan 0.000 0.482 393 K N 1.112 121.433 120.400 -0.132 0.000 2.489 393 K HA -0.091 4.229 4.320 -0.000 0.000 0.278 393 K C 0.324 176.891 176.600 -0.055 0.000 1.000 393 K CA 0.801 57.040 56.287 -0.081 0.000 1.012 393 K CB 0.123 32.579 32.500 -0.073 0.000 0.903 393 K HN 0.396 nan 8.250 nan 0.000 0.485 394 D N 0.619 120.995 120.400 -0.040 0.000 2.978 394 D HA -0.161 4.479 4.640 -0.000 0.000 0.205 394 D C -0.547 175.740 176.300 -0.022 0.000 1.093 394 D CA 1.109 55.092 54.000 -0.028 0.000 1.006 394 D CB -0.994 39.791 40.800 -0.025 0.000 1.116 394 D HN 0.433 nan 8.370 nan 0.000 0.419 395 S N -1.006 114.679 115.700 -0.025 0.000 2.707 395 S HA 0.291 4.761 4.470 -0.000 0.000 0.276 395 S C 1.466 176.067 174.600 0.002 0.000 1.179 395 S CA -0.600 57.594 58.200 -0.010 0.000 0.992 395 S CB 1.768 64.960 63.200 -0.012 0.000 1.030 395 S HN 0.073 nan 8.310 nan 0.000 0.554 396 K N 0.887 121.300 120.400 0.023 0.000 2.283 396 K HA -0.024 4.296 4.320 -0.000 0.000 0.202 396 K C 1.775 178.421 176.600 0.076 0.000 1.048 396 K CA 1.035 57.347 56.287 0.042 0.000 0.948 396 K CB -0.194 32.343 32.500 0.062 0.000 0.742 396 K HN 0.564 nan 8.250 nan 0.000 0.458 397 A N 1.283 124.158 122.820 0.092 0.000 2.167 397 A HA -0.144 4.176 4.320 -0.000 0.000 0.214 397 A C 1.936 179.594 177.584 0.123 0.000 1.151 397 A CA 0.929 53.067 52.037 0.169 0.000 0.735 397 A CB -0.290 18.791 19.000 0.136 0.000 0.802 397 A HN 0.392 nan 8.150 nan 0.000 0.467 398 E N 0.564 120.780 120.200 0.028 0.000 2.065 398 E HA -0.205 4.145 4.350 -0.000 0.000 0.201 398 E C -0.802 175.802 176.600 0.007 0.000 1.016 398 E CA 1.987 58.393 56.400 0.011 0.000 0.818 398 E CB -0.692 28.994 29.700 -0.024 0.000 0.749 398 E HN 0.445 nan 8.360 nan 0.000 0.453 399 P HA -0.149 nan 4.420 nan 0.000 0.218 399 P C 0.741 177.956 177.300 -0.142 0.000 1.149 399 P CA 1.362 64.351 63.100 -0.184 0.000 0.817 399 P CB -0.070 31.426 31.700 -0.340 0.000 0.785 400 H N -2.319 116.811 119.070 0.100 0.000 2.372 400 H HA 0.040 4.596 4.556 -0.000 0.000 0.301 400 H C 1.982 177.376 175.328 0.110 0.000 1.065 400 H CA 0.830 56.931 56.048 0.088 0.000 1.364 400 H CB -1.106 28.697 29.762 0.068 0.000 1.406 400 H HN 0.132 nan 8.280 nan 0.000 0.521 401 F N 1.387 121.415 119.950 0.129 0.000 2.134 401 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 401 F C 2.446 178.285 175.800 0.064 0.000 1.097 401 F CA 0.639 58.688 58.000 0.082 0.000 1.264 401 F CB -0.171 38.866 39.000 0.060 0.000 1.001 401 F HN 0.008 nan 8.300 nan 0.000 0.479 402 L N -0.436 120.955 121.223 0.281 0.000 2.042 402 L HA -0.211 4.128 4.340 -0.000 0.000 0.210 402 L C 2.595 179.532 176.870 0.111 0.000 1.076 402 L CA 2.219 57.157 54.840 0.164 0.000 0.749 402 L CB -1.208 40.906 42.059 0.092 0.000 0.893 402 L HN 0.219 nan 8.230 nan 0.000 0.432 403 S N -0.841 114.930 115.700 0.118 0.000 2.382 403 S HA -0.151 4.319 4.470 -0.000 0.000 0.228 403 S C 2.047 176.790 174.600 0.238 0.000 1.027 403 S CA 1.493 59.792 58.200 0.165 0.000 0.991 403 S CB -0.451 62.859 63.200 0.182 0.000 0.823 403 S HN 0.495 nan 8.310 nan 0.000 0.469 404 I N 0.950 121.574 120.570 0.090 0.000 2.179 404 I HA -0.167 4.002 4.170 -0.000 0.000 0.242 404 I C 2.178 178.315 176.117 0.035 0.000 1.088 404 I CA 0.747 62.047 61.300 0.000 0.000 1.357 404 I CB -0.375 37.503 38.000 -0.204 0.000 1.051 404 I HN 0.296 nan 8.210 nan 0.000 0.409 405 L N 0.412 121.635 121.223 -0.001 0.000 2.013 405 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 405 L C 2.601 179.519 176.870 0.080 0.000 1.073 405 L CA 1.914 56.780 54.840 0.044 0.000 0.753 405 L CB -1.121 40.983 42.059 0.075 0.000 0.890 405 L HN 0.303 nan 8.230 nan 0.000 0.432 406 Q N -1.686 118.159 119.800 0.075 0.000 2.124 406 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 406 Q C 2.138 178.150 176.000 0.019 0.000 0.977 406 Q CA 1.699 57.519 55.803 0.029 0.000 0.850 406 Q CB -0.266 28.464 28.738 -0.014 0.000 0.901 406 Q HN 0.593 nan 8.270 nan 0.000 0.429 407 H N -0.029 119.066 119.070 0.042 0.000 2.456 407 H HA -0.044 4.512 4.556 -0.000 0.000 0.296 407 H C 1.461 176.849 175.328 0.100 0.000 1.079 407 H CA 0.961 57.042 56.048 0.055 0.000 1.322 407 H CB 0.112 29.896 29.762 0.037 0.000 1.388 407 H HN 0.129 nan 8.280 nan 0.000 0.538 408 L N 0.130 121.489 121.223 0.226 0.000 2.610 408 L HA 0.016 4.356 4.340 -0.000 0.000 0.232 408 L C 0.392 177.464 176.870 0.337 0.000 1.149 408 L CA 0.423 55.436 54.840 0.288 0.000 0.872 408 L CB 0.229 42.425 42.059 0.228 0.000 0.992 408 L HN 0.271 nan 8.230 nan 0.000 0.447 409 L N -1.010 120.334 121.223 0.202 0.000 3.202 409 L HA 0.172 4.511 4.340 -0.000 0.000 0.278 409 L C 1.324 178.246 176.870 0.087 0.000 1.268 409 L CA -0.164 54.776 54.840 0.168 0.000 1.034 409 L CB 0.403 42.524 42.059 0.104 0.000 1.407 409 L HN 0.167 nan 8.230 nan 0.000 0.581 410 L N -1.018 120.246 121.223 0.068 0.000 2.307 410 L HA 0.132 4.472 4.340 -0.000 0.000 0.211 410 L C 1.201 178.034 176.870 -0.062 0.000 1.099 410 L CA 0.260 55.096 54.840 -0.007 0.000 0.816 410 L CB 0.199 42.248 42.059 -0.016 0.000 0.952 410 L HN 0.088 nan 8.230 nan 0.000 0.455 411 V N 2.147 122.011 119.914 -0.084 0.000 2.655 411 V HA 0.056 4.175 4.120 -0.000 0.000 0.300 411 V C 0.739 176.785 176.094 -0.079 0.000 1.044 411 V CA -0.325 61.844 62.300 -0.219 0.000 1.095 411 V CB 0.605 32.183 31.823 -0.408 0.000 0.952 411 V HN 0.228 nan 8.190 nan 0.000 0.485 412 R N 5.167 125.613 120.500 -0.091 0.000 2.641 412 R HA 0.166 4.506 4.340 -0.000 0.000 0.269 412 R C 1.242 177.579 176.300 0.061 0.000 1.074 412 R CA -0.270 55.825 56.100 -0.009 0.000 1.133 412 R CB 0.234 30.523 30.300 -0.018 0.000 1.029 412 R HN 0.834 nan 8.270 nan 0.000 0.488 413 N N 1.954 120.694 118.700 0.067 0.000 2.166 413 N HA -0.168 4.572 4.740 -0.000 0.000 0.186 413 N C 0.782 176.344 175.510 0.086 0.000 1.019 413 N CA 1.344 54.446 53.050 0.086 0.000 0.856 413 N CB -0.094 38.431 38.487 0.062 0.000 0.993 413 N HN 0.544 nan 8.380 nan 0.000 0.426 414 D N 0.393 120.837 120.400 0.073 0.000 2.144 414 D HA -0.177 4.463 4.640 -0.000 0.000 0.199 414 D C 0.598 176.956 176.300 0.097 0.000 0.984 414 D CA 0.437 54.477 54.000 0.068 0.000 0.834 414 D CB -0.468 40.365 40.800 0.054 0.000 0.955 414 D HN 0.216 nan 8.370 nan 0.000 0.465 415 Y N 3.263 123.544 120.300 -0.031 0.000 2.944 415 Y HA -0.160 4.389 4.550 -0.000 0.000 0.340 415 Y C 1.527 177.414 175.900 -0.022 0.000 1.275 415 Y CA -0.286 57.784 58.100 -0.049 0.000 1.590 415 Y CB 0.335 38.732 38.460 -0.106 0.000 1.218 415 Y HN 0.061 nan 8.280 nan 0.000 0.576 416 E N 3.782 123.741 120.200 -0.402 0.000 2.478 416 E HA 0.099 4.449 4.350 -0.000 0.000 0.198 416 E C 0.695 176.996 176.600 -0.498 0.000 1.046 416 E CA 0.802 56.994 56.400 -0.346 0.000 0.870 416 E CB 0.064 29.637 29.700 -0.212 0.000 0.818 416 E HN 0.548 nan 8.360 nan 0.000 0.527 417 A N 1.437 123.625 122.820 -1.053 0.000 2.616 417 A HA 0.256 4.576 4.320 -0.000 0.000 0.294 417 A C 1.414 178.821 177.584 -0.296 0.000 1.091 417 A CA -0.435 51.208 52.037 -0.658 0.000 0.971 417 A CB -0.087 18.579 19.000 -0.557 0.000 1.222 417 A HN 0.249 nan 8.150 nan 0.000 0.521 418 R N -0.218 120.211 120.500 -0.118 0.000 2.081 418 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 418 R C -1.134 175.310 176.300 0.239 0.000 1.131 418 R CA 1.641 57.845 56.100 0.174 0.000 0.960 418 R CB -2.235 28.184 30.300 0.198 0.000 0.856 418 R HN 0.279 nan 8.270 nan 0.000 0.436 419 P HA -0.179 nan 4.420 nan 0.000 0.215 419 P C 1.031 178.442 177.300 0.184 0.000 1.157 419 P CA 1.478 64.706 63.100 0.214 0.000 0.874 419 P CB -0.012 31.756 31.700 0.115 0.000 0.790 420 Q N -1.972 117.900 119.800 0.121 0.000 2.050 420 Q HA -0.211 4.128 4.340 -0.000 0.000 0.202 420 Q C 2.188 178.281 176.000 0.154 0.000 0.980 420 Q CA 1.531 57.400 55.803 0.109 0.000 0.840 420 Q CB -1.389 27.389 28.738 0.068 0.000 0.898 420 Q HN 0.280 nan 8.270 nan 0.000 0.424 421 Y N -0.138 120.200 120.300 0.063 0.000 2.081 421 Y HA -0.338 4.212 4.550 -0.000 0.000 0.280 421 Y C 1.749 177.664 175.900 0.026 0.000 1.163 421 Y CA 1.766 59.884 58.100 0.030 0.000 1.135 421 Y CB -0.519 37.941 38.460 0.001 0.000 0.970 421 Y HN 0.200 nan 8.280 nan 0.000 0.498 422 Y N 0.212 120.540 120.300 0.047 0.000 2.352 422 Y HA -0.218 4.332 4.550 -0.000 0.000 0.292 422 Y C 2.668 178.530 175.900 -0.064 0.000 1.136 422 Y CA 1.356 59.422 58.100 -0.056 0.000 1.227 422 Y CB -0.176 38.329 38.460 0.075 0.000 0.991 422 Y HN 0.116 nan 8.280 nan 0.000 0.545 423 K N 0.597 121.078 120.400 0.134 0.000 2.057 423 K HA -0.214 4.105 4.320 -0.000 0.000 0.206 423 K C 2.018 178.627 176.600 0.014 0.000 1.050 423 K CA 1.387 57.715 56.287 0.068 0.000 0.935 423 K CB -0.292 32.248 32.500 0.066 0.000 0.715 423 K HN 0.300 nan 8.250 nan 0.000 0.439 424 L N 1.186 122.396 121.223 -0.022 0.000 2.056 424 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 424 L C 1.933 178.742 176.870 -0.102 0.000 1.078 424 L CA 1.360 56.168 54.840 -0.054 0.000 0.749 424 L CB -0.346 41.685 42.059 -0.046 0.000 0.901 424 L HN 0.137 nan 8.230 nan 0.000 0.433 425 I N 0.187 120.637 120.570 -0.200 0.000 2.264 425 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 425 I C 2.603 178.685 176.117 -0.059 0.000 1.111 425 I CA 1.292 62.489 61.300 -0.170 0.000 1.382 425 I CB -1.538 36.328 38.000 -0.224 0.000 1.060 425 I HN 0.503 nan 8.210 nan 0.000 0.418 426 E N 1.343 121.531 120.200 -0.020 0.000 2.077 426 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 426 E C 1.998 178.591 176.600 -0.011 0.000 0.989 426 E CA 1.406 57.804 56.400 -0.004 0.000 0.800 426 E CB 0.104 29.811 29.700 0.012 0.000 0.746 426 E HN 0.539 nan 8.360 nan 0.000 0.452 427 E N -0.416 119.776 120.200 -0.013 0.000 2.077 427 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 427 E C 2.359 178.950 176.600 -0.015 0.000 0.989 427 E CA 1.485 57.879 56.400 -0.009 0.000 0.800 427 E CB -0.108 29.588 29.700 -0.006 0.000 0.746 427 E HN 0.333 nan 8.360 nan 0.000 0.452 428 C N 0.070 119.355 119.300 -0.025 0.000 2.432 428 C HA -0.106 4.354 4.460 -0.000 0.000 0.277 428 C C 2.695 177.671 174.990 -0.024 0.000 1.249 428 C CA 0.339 59.341 59.018 -0.026 0.000 1.725 428 C CB -0.745 26.973 27.740 -0.037 0.000 2.028 428 C HN 0.264 nan 8.230 nan 0.000 0.477 429 V N 0.408 120.306 119.914 -0.027 0.000 2.343 429 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 429 V C 2.652 178.736 176.094 -0.016 0.000 1.051 429 V CA 2.395 64.679 62.300 -0.027 0.000 1.036 429 V CB -0.891 30.914 31.823 -0.031 0.000 0.654 429 V HN 0.647 nan 8.190 nan 0.000 0.451 430 S N -0.647 115.047 115.700 -0.009 0.000 2.356 430 S HA -0.303 4.167 4.470 -0.000 0.000 0.223 430 S C 2.079 176.691 174.600 0.020 0.000 1.032 430 S CA 2.125 60.327 58.200 0.003 0.000 1.005 430 S CB -0.271 62.933 63.200 0.006 0.000 0.867 430 S HN 0.604 nan 8.310 nan 0.000 0.449 431 Q N 0.811 120.616 119.800 0.009 0.000 2.170 431 Q HA 0.056 4.396 4.340 -0.000 0.000 0.203 431 Q C 1.765 177.784 176.000 0.031 0.000 0.976 431 Q CA 1.530 57.337 55.803 0.006 0.000 0.858 431 Q CB -0.472 28.243 28.738 -0.039 0.000 0.907 431 Q HN 0.708 nan 8.270 nan 0.000 0.433 432 I N -1.252 119.328 120.570 0.016 0.000 2.202 432 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 432 I C 1.907 178.041 176.117 0.029 0.000 1.091 432 I CA 0.797 62.107 61.300 0.017 0.000 1.368 432 I CB -0.121 37.873 38.000 -0.009 0.000 1.058 432 I HN 0.039 nan 8.210 nan 0.000 0.410 433 V N 0.443 120.369 119.914 0.019 0.000 2.302 433 V HA -0.067 4.052 4.120 -0.000 0.000 0.243 433 V C 0.991 177.113 176.094 0.046 0.000 1.036 433 V CA 0.972 63.281 62.300 0.015 0.000 1.020 433 V CB -0.197 31.621 31.823 -0.007 0.000 0.657 433 V HN 0.188 nan 8.190 nan 0.000 0.453 434 L N 0.892 122.154 121.223 0.065 0.000 2.264 434 L HA 0.346 4.686 4.340 -0.000 0.000 0.287 434 L C 0.443 177.456 176.870 0.238 0.000 1.039 434 L CA -0.261 54.657 54.840 0.129 0.000 0.829 434 L CB 0.785 42.876 42.059 0.053 0.000 1.211 434 L HN 0.408 nan 8.230 nan 0.000 0.427 435 H N 0.000 119.180 119.070 0.184 0.000 2.539 435 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 435 H CA 0.000 56.109 56.048 0.103 0.000 1.023 435 H CB 0.000 29.814 29.762 0.086 0.000 1.292 435 H HN 0.000 nan 8.280 nan 0.000 0.496