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 1vsy_1_C DATA FIRST_RESID 3014 DATA SEQUENCE SPEGRLYQVE YALESISHAG TAIGIMASDG IVLAAERKVT STLLEQDTST DATA SEQUENCE EKLYKLNDKI AVAVAGLTAD AEILINTARI HAQNYLKTYN EDIPVEILVR DATA SEQUENCE RLSDIKQGYT QHGGLRPFGV SFIYAGYDDR YGYQLYTSNP SGNYTGWKAI DATA SEQUENCE SVGANTSAAQ TLLQMDYKDD MKVDDAIELA LKTLSKTTDS SALTYDRLEF DATA SEQUENCE ATIRKGANDG EVYQKIFKPQ EIKDILVKTG IT 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 3014 S HA 0.000 nan 4.470 nan 0.000 0.327 3014 S C 0.000 174.646 174.600 0.077 0.000 1.055 3014 S CA 0.000 58.273 58.200 0.122 0.000 1.107 3014 S CB 0.000 63.220 63.200 0.033 0.000 0.593 3015 P HA -0.238 nan 4.420 nan 0.000 0.224 3015 P C 0.778 178.116 177.300 0.062 0.000 1.130 3015 P CA 1.878 65.061 63.100 0.139 0.000 0.976 3015 P CB 0.118 31.968 31.700 0.250 0.000 0.781 3016 E N -2.832 117.385 120.200 0.028 0.000 2.501 3016 E HA 0.397 4.747 4.350 0.000 0.000 0.200 3016 E C 0.713 177.296 176.600 -0.029 0.000 1.016 3016 E CA 0.422 56.824 56.400 0.003 0.000 0.921 3016 E CB 0.167 29.873 29.700 0.010 0.000 1.034 3016 E HN 0.297 nan 8.360 nan 0.000 0.468 3017 G N 1.816 110.587 108.800 -0.048 0.000 2.226 3017 G HA2 -0.234 3.727 3.960 0.000 0.000 0.176 3017 G HA3 -0.234 3.727 3.960 0.000 0.000 0.176 3017 G C -0.256 174.577 174.900 -0.112 0.000 1.042 3017 G CA -0.623 44.442 45.100 -0.059 0.000 0.732 3017 G HN 0.072 nan 8.290 nan 0.000 0.494 3018 R N -0.237 120.143 120.500 -0.201 0.000 2.589 3018 R HA 0.603 4.943 4.340 0.000 0.000 0.293 3018 R C 0.815 176.898 176.300 -0.362 0.000 0.963 3018 R CA -0.951 54.927 56.100 -0.369 0.000 0.905 3018 R CB 1.097 30.962 30.300 -0.726 0.000 1.144 3018 R HN 0.387 nan 8.270 nan 0.000 0.459 3019 L N 1.081 122.151 121.223 -0.255 0.000 2.397 3019 L HA 0.329 4.669 4.340 0.000 0.000 0.263 3019 L C 0.065 176.898 176.870 -0.061 0.000 1.136 3019 L CA -0.628 54.145 54.840 -0.111 0.000 1.019 3019 L CB -0.155 41.883 42.059 -0.036 0.000 1.352 3019 L HN 0.611 nan 8.230 nan 0.000 0.420 3020 Y N 0.811 121.143 120.300 0.055 0.000 2.070 3020 Y HA -0.176 4.374 4.550 0.000 0.000 0.279 3020 Y C 2.542 178.502 175.900 0.100 0.000 1.134 3020 Y CA 1.500 59.658 58.100 0.097 0.000 1.113 3020 Y CB -0.249 38.251 38.460 0.066 0.000 0.981 3020 Y HN 0.609 nan 8.280 nan 0.000 0.487 3021 Q N -0.354 119.514 119.800 0.114 0.000 2.449 3021 Q HA -0.162 4.179 4.340 0.000 0.000 0.214 3021 Q C 2.189 178.251 176.000 0.104 0.000 0.986 3021 Q CA 1.255 57.038 55.803 -0.033 0.000 0.893 3021 Q CB -0.296 28.401 28.738 -0.068 0.000 0.940 3021 Q HN 0.368 nan 8.270 nan 0.000 0.477 3022 V N 0.331 120.326 119.914 0.135 0.000 2.374 3022 V HA -0.175 3.945 4.120 0.000 0.000 0.241 3022 V C 1.873 178.051 176.094 0.140 0.000 1.034 3022 V CA 1.310 63.682 62.300 0.120 0.000 1.037 3022 V CB -0.196 31.677 31.823 0.084 0.000 0.682 3022 V HN 0.307 nan 8.190 nan 0.000 0.463 3023 E N -0.688 119.604 120.200 0.153 0.000 2.130 3023 E HA -0.287 4.064 4.350 0.000 0.000 0.196 3023 E C 2.099 178.789 176.600 0.150 0.000 0.998 3023 E CA 1.870 58.347 56.400 0.128 0.000 0.806 3023 E CB -0.290 29.491 29.700 0.134 0.000 0.738 3023 E HN 0.637 nan 8.360 nan 0.000 0.459 3024 Y N 0.564 120.901 120.300 0.061 0.000 2.069 3024 Y HA -0.304 4.246 4.550 0.000 0.000 0.278 3024 Y C 2.419 178.329 175.900 0.017 0.000 1.175 3024 Y CA 1.749 59.875 58.100 0.043 0.000 1.134 3024 Y CB -0.432 38.057 38.460 0.049 0.000 0.965 3024 Y HN 0.062 nan 8.280 nan 0.000 0.498 3025 A N -1.275 121.655 122.820 0.184 0.000 2.081 3025 A HA 0.016 4.336 4.320 0.000 0.000 0.214 3025 A C 2.169 179.776 177.584 0.038 0.000 1.158 3025 A CA 0.444 52.537 52.037 0.093 0.000 0.724 3025 A CB -0.760 18.289 19.000 0.082 0.000 0.826 3025 A HN 0.499 nan 8.150 nan 0.000 0.463 3026 L N -0.804 120.443 121.223 0.039 0.000 2.141 3026 L HA -0.112 4.228 4.340 0.000 0.000 0.209 3026 L C 2.345 179.188 176.870 -0.045 0.000 1.094 3026 L CA 1.678 56.520 54.840 0.003 0.000 0.763 3026 L CB -0.014 42.056 42.059 0.018 0.000 0.908 3026 L HN 0.550 nan 8.230 nan 0.000 0.437 3027 E N -1.677 118.483 120.200 -0.066 0.000 2.415 3027 E HA -0.120 4.230 4.350 0.000 0.000 0.197 3027 E C 2.026 178.474 176.600 -0.253 0.000 1.007 3027 E CA 0.401 56.705 56.400 -0.161 0.000 0.890 3027 E CB 0.417 30.021 29.700 -0.160 0.000 0.891 3027 E HN 0.291 nan 8.360 nan 0.000 0.496 3028 S N 0.161 115.792 115.700 -0.114 0.000 2.474 3028 S HA -0.022 4.448 4.470 0.000 0.000 0.235 3028 S C 1.796 176.379 174.600 -0.028 0.000 0.997 3028 S CA 0.364 58.545 58.200 -0.032 0.000 0.949 3028 S CB -0.072 63.156 63.200 0.046 0.000 0.766 3028 S HN 0.294 nan 8.310 nan 0.000 0.517 3029 I N 1.647 122.178 120.570 -0.066 0.000 2.277 3029 I HA -0.087 4.083 4.170 0.000 0.000 0.243 3029 I C 2.369 178.443 176.117 -0.071 0.000 1.094 3029 I CA 1.170 62.437 61.300 -0.054 0.000 1.393 3029 I CB -0.338 37.625 38.000 -0.062 0.000 1.078 3029 I HN 0.421 nan 8.210 nan 0.000 0.417 3030 S N -0.316 115.302 115.700 -0.136 0.000 2.584 3030 S HA -0.146 4.324 4.470 0.000 0.000 0.240 3030 S C 1.508 176.045 174.600 -0.105 0.000 0.975 3030 S CA 0.721 58.838 58.200 -0.137 0.000 0.949 3030 S CB -0.613 62.485 63.200 -0.170 0.000 0.761 3030 S HN 0.443 nan 8.310 nan 0.000 0.536 3031 H N 1.960 121.014 119.070 -0.027 0.000 2.300 3031 H HA 0.532 5.088 4.556 0.000 0.000 0.322 3031 H C 1.555 176.870 175.328 -0.021 0.000 1.088 3031 H CA 0.420 56.454 56.048 -0.023 0.000 1.532 3031 H CB -1.095 28.654 29.762 -0.022 0.000 1.488 3031 H HN 0.516 nan 8.280 nan 0.000 0.607 3032 A N 0.818 123.713 122.820 0.124 0.000 2.448 3032 A HA 0.432 4.752 4.320 0.000 0.000 0.239 3032 A C 0.959 178.559 177.584 0.026 0.000 1.080 3032 A CA 0.502 52.572 52.037 0.055 0.000 0.779 3032 A CB -0.730 18.294 19.000 0.041 0.000 1.026 3032 A HN 0.704 nan 8.150 nan 0.000 0.499 3033 G N -0.394 108.417 108.800 0.017 0.000 2.909 3033 G HA2 0.106 4.066 3.960 0.000 0.000 0.385 3033 G HA3 0.106 4.066 3.960 0.000 0.000 0.385 3033 G C -0.029 174.868 174.900 -0.004 0.000 1.436 3033 G CA 0.261 45.365 45.100 0.006 0.000 0.949 3033 G HN 1.719 nan 8.290 nan 0.000 0.556 3034 T N 0.238 114.787 114.554 -0.009 0.000 3.483 3034 T HA 0.694 5.044 4.350 0.000 0.000 0.329 3034 T C 0.015 174.702 174.700 -0.022 0.000 1.014 3034 T CA 0.647 62.735 62.100 -0.020 0.000 1.056 3034 T CB 0.991 69.850 68.868 -0.015 0.000 1.090 3034 T HN 1.980 nan 8.240 nan 0.000 0.460 3035 A N 3.878 126.674 122.820 -0.040 0.000 2.423 3035 A HA 1.004 5.324 4.320 0.000 0.000 0.304 3035 A C -1.211 176.332 177.584 -0.069 0.000 1.104 3035 A CA -0.683 51.328 52.037 -0.044 0.000 0.757 3035 A CB 1.237 20.213 19.000 -0.039 0.000 1.313 3035 A HN 0.777 nan 8.150 nan 0.000 0.423 3036 I N 0.303 120.830 120.570 -0.071 0.000 2.722 3036 I HA 0.597 4.767 4.170 0.000 0.000 0.295 3036 I C 0.071 176.131 176.117 -0.094 0.000 1.161 3036 I CA -0.581 60.667 61.300 -0.085 0.000 1.032 3036 I CB 2.738 40.704 38.000 -0.056 0.000 1.244 3036 I HN 0.837 nan 8.210 nan 0.000 0.421 3037 G N 6.225 114.969 108.800 -0.092 0.000 2.687 3037 G HA2 0.770 4.730 3.960 0.000 0.000 0.301 3037 G HA3 0.770 4.730 3.960 0.000 0.000 0.301 3037 G C -1.306 173.573 174.900 -0.035 0.000 1.416 3037 G CA -0.309 44.753 45.100 -0.062 0.000 1.005 3037 G HN 0.421 nan 8.290 nan 0.000 0.509 3038 I N 2.457 123.022 120.570 -0.008 0.000 2.478 3038 I HA 0.331 4.501 4.170 0.000 0.000 0.287 3038 I C -0.133 176.029 176.117 0.075 0.000 1.042 3038 I CA -0.651 60.678 61.300 0.049 0.000 1.067 3038 I CB 2.356 40.406 38.000 0.084 0.000 1.233 3038 I HN 0.316 nan 8.210 nan 0.000 0.431 3039 M N 6.110 125.778 119.600 0.114 0.000 2.077 3039 M HA 0.547 5.027 4.480 0.000 0.000 0.348 3039 M C 0.037 176.437 176.300 0.167 0.000 1.252 3039 M CA -0.158 55.211 55.300 0.116 0.000 1.096 3039 M CB 0.871 33.546 32.600 0.124 0.000 1.568 3039 M HN 0.802 nan 8.290 nan 0.000 0.456 3040 A N 3.050 125.899 122.820 0.049 0.000 2.249 3040 A HA 0.417 4.738 4.320 0.000 0.000 0.281 3040 A C 1.038 178.611 177.584 -0.019 0.000 1.127 3040 A CA 0.086 52.129 52.037 0.009 0.000 0.833 3040 A CB 0.240 19.206 19.000 -0.056 0.000 1.140 3040 A HN 0.949 nan 8.150 nan 0.000 0.502 3041 S N -0.664 115.022 115.700 -0.024 0.000 2.428 3041 S HA -0.077 4.393 4.470 0.000 0.000 0.230 3041 S C 0.363 174.949 174.600 -0.024 0.000 1.014 3041 S CA 1.275 59.480 58.200 0.008 0.000 0.957 3041 S CB -0.260 62.947 63.200 0.011 0.000 0.784 3041 S HN 0.775 nan 8.310 nan 0.000 0.499 3042 D N -0.387 119.932 120.400 -0.134 0.000 2.673 3042 D HA 0.509 5.149 4.640 0.000 0.000 0.278 3042 D C 0.375 176.371 176.300 -0.507 0.000 1.393 3042 D CA -0.102 53.783 54.000 -0.193 0.000 0.805 3042 D CB 0.259 41.026 40.800 -0.056 0.000 1.110 3042 D HN 0.499 nan 8.370 nan 0.000 0.476 3043 G N -0.612 107.726 108.800 -0.770 0.000 2.451 3043 G HA2 0.519 4.479 3.960 0.000 0.000 0.292 3043 G HA3 0.519 4.479 3.960 0.000 0.000 0.292 3043 G C -1.855 172.761 174.900 -0.474 0.000 1.427 3043 G CA -0.911 43.744 45.100 -0.741 0.000 0.792 3043 G HN 0.090 nan 8.290 nan 0.000 0.498 3044 I N -0.634 119.801 120.570 -0.225 0.000 2.934 3044 I HA 0.645 4.816 4.170 0.000 0.000 0.306 3044 I C -0.719 175.379 176.117 -0.032 0.000 1.110 3044 I CA -1.285 59.983 61.300 -0.054 0.000 1.019 3044 I CB 2.599 40.641 38.000 0.070 0.000 1.227 3044 I HN 0.306 nan 8.210 nan 0.000 0.434 3045 V N 5.194 125.078 119.914 -0.049 0.000 2.638 3045 V HA 0.517 4.637 4.120 0.000 0.000 0.306 3045 V C -0.463 175.505 176.094 -0.211 0.000 1.052 3045 V CA -0.539 61.670 62.300 -0.152 0.000 0.885 3045 V CB 2.257 33.989 31.823 -0.152 0.000 0.999 3045 V HN 0.443 nan 8.190 nan 0.000 0.424 3046 L N 3.307 124.323 121.223 -0.346 0.000 2.341 3046 L HA 1.015 5.355 4.340 0.000 0.000 0.267 3046 L C -0.136 176.405 176.870 -0.549 0.000 1.009 3046 L CA -0.655 54.001 54.840 -0.308 0.000 0.819 3046 L CB 2.202 44.173 42.059 -0.147 0.000 1.323 3046 L HN 0.843 nan 8.230 nan 0.000 0.425 3047 A N 1.826 124.470 122.820 -0.293 0.000 2.594 3047 A HA 0.884 5.205 4.320 0.000 0.000 0.296 3047 A C -1.630 175.940 177.584 -0.024 0.000 1.061 3047 A CA -0.168 51.772 52.037 -0.162 0.000 0.689 3047 A CB 1.887 20.844 19.000 -0.071 0.000 1.280 3047 A HN 0.843 nan 8.150 nan 0.000 0.406 3048 A N 0.978 123.824 122.820 0.043 0.000 2.572 3048 A HA 0.777 5.097 4.320 0.000 0.000 0.295 3048 A C -0.820 176.790 177.584 0.043 0.000 1.072 3048 A CA -0.414 51.642 52.037 0.030 0.000 0.691 3048 A CB 1.176 20.187 19.000 0.018 0.000 1.291 3048 A HN 0.788 nan 8.150 nan 0.000 0.404 3049 E N 0.692 120.907 120.200 0.025 0.000 2.277 3049 E HA 0.392 4.742 4.350 0.000 0.000 0.274 3049 E C -0.409 176.201 176.600 0.016 0.000 1.022 3049 E CA -0.557 55.854 56.400 0.019 0.000 0.853 3049 E CB 1.068 30.773 29.700 0.009 0.000 1.086 3049 E HN 0.520 nan 8.360 nan 0.000 0.397 3050 R N 2.223 122.731 120.500 0.013 0.000 2.486 3050 R HA 0.243 4.583 4.340 0.000 0.000 0.286 3050 R C 0.034 176.338 176.300 0.007 0.000 0.999 3050 R CA -0.602 55.505 56.100 0.012 0.000 0.993 3050 R CB 1.193 31.500 30.300 0.012 0.000 1.084 3050 R HN 0.386 nan 8.270 nan 0.000 0.487 3051 K N 0.647 121.053 120.400 0.011 0.000 2.339 3051 K HA -0.016 4.304 4.320 0.000 0.000 0.260 3051 K C -0.051 176.550 176.600 0.000 0.000 0.989 3051 K CA -0.134 56.158 56.287 0.008 0.000 0.888 3051 K CB 0.275 32.783 32.500 0.014 0.000 0.983 3051 K HN 0.228 nan 8.250 nan 0.000 0.515 3052 V N 2.956 122.867 119.914 -0.004 0.000 2.536 3052 V HA -0.097 4.023 4.120 0.000 0.000 0.287 3052 V C 0.170 176.259 176.094 -0.008 0.000 0.979 3052 V CA 0.793 63.087 62.300 -0.009 0.000 1.161 3052 V CB -0.899 30.916 31.823 -0.013 0.000 0.915 3052 V HN 0.659 nan 8.190 nan 0.000 0.467 3053 T N 4.555 119.102 114.554 -0.011 0.000 2.845 3053 T HA 0.347 4.697 4.350 0.000 0.000 0.288 3053 T C 0.315 175.007 174.700 -0.012 0.000 0.980 3053 T CA -0.270 61.824 62.100 -0.010 0.000 1.071 3053 T CB 1.512 70.371 68.868 -0.015 0.000 0.941 3053 T HN 0.735 nan 8.240 nan 0.000 0.487 3054 S N 1.517 117.212 115.700 -0.008 0.000 2.646 3054 S HA 0.200 4.670 4.470 0.000 0.000 0.276 3054 S C 1.621 176.216 174.600 -0.009 0.000 1.222 3054 S CA -0.596 57.599 58.200 -0.008 0.000 1.014 3054 S CB 0.648 63.846 63.200 -0.003 0.000 0.991 3054 S HN 0.688 nan 8.310 nan 0.000 0.533 3055 T N 3.586 118.134 114.554 -0.010 0.000 2.737 3055 T HA -0.099 4.251 4.350 0.000 0.000 0.269 3055 T C 1.324 176.023 174.700 -0.003 0.000 1.040 3055 T CA 1.291 63.385 62.100 -0.010 0.000 1.142 3055 T CB -0.250 68.613 68.868 -0.009 0.000 0.861 3055 T HN 0.417 nan 8.240 nan 0.000 0.456 3056 L N -0.090 121.133 121.223 0.000 0.000 2.529 3056 L HA 0.401 4.741 4.340 0.000 0.000 0.223 3056 L C 0.650 177.526 176.870 0.009 0.000 1.113 3056 L CA 0.295 55.138 54.840 0.005 0.000 0.861 3056 L CB -0.868 41.194 42.059 0.005 0.000 1.012 3056 L HN 0.266 nan 8.230 nan 0.000 0.461 3057 L N 0.745 121.973 121.223 0.008 0.000 2.490 3057 L HA -0.041 4.299 4.340 0.000 0.000 0.274 3057 L C 0.613 177.494 176.870 0.017 0.000 1.201 3057 L CA -0.018 54.829 54.840 0.012 0.000 0.869 3057 L CB 0.481 42.546 42.059 0.010 0.000 1.123 3057 L HN 0.077 nan 8.230 nan 0.000 0.484 3058 E N 3.548 123.761 120.200 0.022 0.000 2.104 3058 E HA -0.033 4.317 4.350 0.000 0.000 0.278 3058 E C 0.693 177.313 176.600 0.033 0.000 1.127 3058 E CA 0.251 56.668 56.400 0.028 0.000 0.897 3058 E CB 0.744 30.460 29.700 0.028 0.000 1.043 3058 E HN 0.484 nan 8.360 nan 0.000 0.410 3059 Q N 3.536 123.360 119.800 0.040 0.000 1.927 3059 Q HA -0.196 4.144 4.340 0.000 0.000 0.210 3059 Q C -0.086 175.947 176.000 0.055 0.000 1.001 3059 Q CA 1.634 57.468 55.803 0.052 0.000 0.862 3059 Q CB -0.143 28.642 28.738 0.078 0.000 0.934 3059 Q HN 0.584 nan 8.270 nan 0.000 0.420 3060 D N -0.115 120.321 120.400 0.061 0.000 2.359 3060 D HA 0.094 4.734 4.640 0.000 0.000 0.250 3060 D C -0.424 175.900 176.300 0.039 0.000 1.264 3060 D CA 0.564 54.595 54.000 0.052 0.000 0.911 3060 D CB 0.484 41.314 40.800 0.051 0.000 1.056 3060 D HN 0.320 nan 8.370 nan 0.000 0.499 3061 T N 0.773 115.347 114.554 0.034 0.000 3.776 3061 T HA -0.086 4.265 4.350 0.000 0.000 0.210 3061 T C 1.631 176.346 174.700 0.025 0.000 0.630 3061 T CA 0.322 62.440 62.100 0.031 0.000 1.026 3061 T CB -0.884 68.004 68.868 0.033 0.000 0.776 3061 T HN 0.243 nan 8.240 nan 0.000 0.330 3062 S N 1.690 117.404 115.700 0.024 0.000 2.429 3062 S HA -0.232 4.238 4.470 0.000 0.000 0.263 3062 S C 0.776 175.358 174.600 -0.030 0.000 1.084 3062 S CA 2.618 60.826 58.200 0.014 0.000 1.284 3062 S CB -1.186 62.021 63.200 0.011 0.000 1.192 3062 S HN 1.069 nan 8.310 nan 0.000 0.436 3063 T N 1.737 116.259 114.554 -0.053 0.000 3.287 3063 T HA -0.199 4.151 4.350 0.000 0.000 0.428 3063 T C 0.495 175.010 174.700 -0.307 0.000 0.770 3063 T CA 1.087 63.104 62.100 -0.139 0.000 2.165 3063 T CB -1.709 67.084 68.868 -0.125 0.000 1.677 3063 T HN 0.866 nan 8.240 nan 0.000 0.633 3064 E N 0.659 120.747 120.200 -0.186 0.000 2.250 3064 E HA 0.079 4.429 4.350 0.000 0.000 0.192 3064 E C 1.504 178.031 176.600 -0.121 0.000 0.986 3064 E CA 0.335 56.667 56.400 -0.113 0.000 0.849 3064 E CB 0.136 29.840 29.700 0.007 0.000 0.797 3064 E HN 0.591 nan 8.360 nan 0.000 0.482 3065 K N -0.044 120.261 120.400 -0.159 0.000 2.501 3065 K HA 0.261 4.581 4.320 0.000 0.000 0.204 3065 K C -1.006 175.562 176.600 -0.054 0.000 1.067 3065 K CA -0.281 55.994 56.287 -0.021 0.000 1.060 3065 K CB 1.090 33.610 32.500 0.034 0.000 0.873 3065 K HN -0.031 nan 8.250 nan 0.000 0.540 3066 L N 1.414 122.486 121.223 -0.252 0.000 2.427 3066 L HA 0.399 4.739 4.340 0.000 0.000 0.264 3066 L C -1.632 175.089 176.870 -0.247 0.000 0.989 3066 L CA -0.661 54.099 54.840 -0.132 0.000 0.865 3066 L CB 0.614 42.642 42.059 -0.053 0.000 1.209 3066 L HN 0.004 nan 8.230 nan 0.000 0.430 3067 Y N 2.663 123.000 120.300 0.061 0.000 2.377 3067 Y HA 0.460 5.010 4.550 0.000 0.000 0.339 3067 Y C 0.420 176.341 175.900 0.035 0.000 1.011 3067 Y CA -0.603 57.526 58.100 0.049 0.000 1.093 3067 Y CB 1.927 40.416 38.460 0.048 0.000 1.201 3067 Y HN 0.356 nan 8.280 nan 0.000 0.455 3068 K N 3.034 123.550 120.400 0.192 0.000 2.249 3068 K HA 0.300 4.620 4.320 0.000 0.000 0.280 3068 K C 0.088 176.749 176.600 0.101 0.000 1.033 3068 K CA -0.045 56.315 56.287 0.121 0.000 0.946 3068 K CB 0.570 33.124 32.500 0.092 0.000 1.005 3068 K HN 0.819 nan 8.250 nan 0.000 0.469 3069 L N 2.520 123.781 121.223 0.063 0.000 2.349 3069 L HA 0.114 4.455 4.340 0.000 0.000 0.200 3069 L C 0.931 177.812 176.870 0.018 0.000 1.064 3069 L CA 0.359 55.215 54.840 0.025 0.000 0.821 3069 L CB -0.001 42.057 42.059 -0.003 0.000 1.027 3069 L HN 0.801 nan 8.230 nan 0.000 0.476 3070 N N -2.385 116.328 118.700 0.022 0.000 3.039 3070 N HA 0.047 4.787 4.740 0.000 0.000 0.257 3070 N C -0.871 174.655 175.510 0.026 0.000 1.497 3070 N CA -0.533 52.527 53.050 0.017 0.000 0.861 3070 N CB 1.205 39.692 38.487 0.001 0.000 1.479 3070 N HN -0.272 nan 8.380 nan 0.000 0.547 3071 D N -0.220 120.191 120.400 0.017 0.000 2.384 3071 D HA -0.033 4.607 4.640 0.000 0.000 0.222 3071 D C 0.300 176.623 176.300 0.038 0.000 0.976 3071 D CA 1.359 55.368 54.000 0.015 0.000 0.915 3071 D CB 0.019 40.815 40.800 -0.007 0.000 0.896 3071 D HN 0.438 nan 8.370 nan 0.000 0.523 3072 K N -0.837 119.592 120.400 0.049 0.000 2.520 3072 K HA 0.359 4.679 4.320 0.000 0.000 0.206 3072 K C -0.184 176.471 176.600 0.091 0.000 1.122 3072 K CA 0.001 56.338 56.287 0.084 0.000 1.045 3072 K CB 1.655 34.196 32.500 0.069 0.000 0.932 3072 K HN -0.029 nan 8.250 nan 0.000 0.571 3073 I N 0.417 121.028 120.570 0.068 0.000 2.827 3073 I HA 0.597 4.767 4.170 0.000 0.000 0.298 3073 I C -1.561 174.603 176.117 0.079 0.000 1.235 3073 I CA -1.117 60.224 61.300 0.069 0.000 1.021 3073 I CB 2.349 40.355 38.000 0.010 0.000 1.259 3073 I HN -0.068 nan 8.210 nan 0.000 0.427 3074 A N 4.243 127.126 122.820 0.106 0.000 2.604 3074 A HA 0.831 5.151 4.320 0.000 0.000 0.295 3074 A C -1.495 176.155 177.584 0.110 0.000 1.067 3074 A CA -0.633 51.465 52.037 0.102 0.000 0.683 3074 A CB 1.913 20.972 19.000 0.098 0.000 1.281 3074 A HN 0.646 nan 8.150 nan 0.000 0.407 3075 V N -1.336 118.627 119.914 0.082 0.000 2.735 3075 V HA 0.969 5.089 4.120 0.000 0.000 0.310 3075 V C 0.170 176.322 176.094 0.097 0.000 1.061 3075 V CA -0.350 61.969 62.300 0.031 0.000 0.913 3075 V CB 1.185 32.908 31.823 -0.168 0.000 1.005 3075 V HN 2.116 nan 8.190 nan 0.000 0.428 3076 A N 3.379 126.248 122.820 0.082 0.000 2.312 3076 A HA 0.891 5.211 4.320 0.000 0.000 0.326 3076 A C -0.385 177.313 177.584 0.190 0.000 1.172 3076 A CA -0.659 51.436 52.037 0.098 0.000 0.821 3076 A CB 1.402 20.414 19.000 0.020 0.000 1.166 3076 A HN 1.377 nan 8.150 nan 0.000 0.493 3077 V N 0.504 120.525 119.914 0.179 0.000 2.628 3077 V HA 0.770 4.890 4.120 0.000 0.000 0.306 3077 V C 0.253 176.356 176.094 0.015 0.000 1.045 3077 V CA -0.239 62.142 62.300 0.134 0.000 0.905 3077 V CB 1.540 33.514 31.823 0.252 0.000 0.997 3077 V HN 1.292 nan 8.190 nan 0.000 0.436 3078 A N 2.814 125.587 122.820 -0.078 0.000 2.605 3078 A HA 0.951 5.271 4.320 0.000 0.000 0.293 3078 A C 0.074 177.605 177.584 -0.089 0.000 1.216 3078 A CA 0.246 52.244 52.037 -0.064 0.000 0.742 3078 A CB 0.890 19.848 19.000 -0.070 0.000 1.170 3078 A HN 1.743 nan 8.150 nan 0.000 0.443 3079 G N 0.172 108.946 108.800 -0.044 0.000 2.345 3079 G HA2 0.496 4.456 3.960 0.000 0.000 0.285 3079 G HA3 0.496 4.456 3.960 0.000 0.000 0.285 3079 G C -1.613 173.289 174.900 0.003 0.000 1.297 3079 G CA -0.533 44.544 45.100 -0.038 0.000 0.875 3079 G HN 1.514 nan 8.290 nan 0.000 0.506 3080 L N 1.537 122.766 121.223 0.010 0.000 2.418 3080 L HA 0.511 4.851 4.340 0.000 0.000 0.274 3080 L C 1.778 178.679 176.870 0.051 0.000 1.135 3080 L CA 1.168 56.026 54.840 0.029 0.000 0.870 3080 L CB 0.374 42.444 42.059 0.018 0.000 1.154 3080 L HN 0.699 nan 8.230 nan 0.000 0.462 3081 T N 3.985 118.581 114.554 0.070 0.000 2.595 3081 T HA -0.190 4.160 4.350 0.000 0.000 0.264 3081 T C 1.698 176.451 174.700 0.088 0.000 1.058 3081 T CA 1.884 64.050 62.100 0.109 0.000 1.166 3081 T CB -0.349 68.597 68.868 0.130 0.000 0.863 3081 T HN 0.788 nan 8.240 nan 0.000 0.415 3082 A N 1.181 124.040 122.820 0.065 0.000 2.139 3082 A HA -0.186 4.134 4.320 0.000 0.000 0.221 3082 A C 1.990 179.604 177.584 0.050 0.000 1.159 3082 A CA 1.976 54.042 52.037 0.049 0.000 0.662 3082 A CB -0.652 18.366 19.000 0.031 0.000 0.796 3082 A HN 0.426 nan 8.150 nan 0.000 0.463 3083 D N -1.022 119.416 120.400 0.063 0.000 2.216 3083 D HA 0.206 4.846 4.640 0.000 0.000 0.208 3083 D C 2.191 178.624 176.300 0.223 0.000 0.960 3083 D CA 1.141 55.206 54.000 0.108 0.000 0.861 3083 D CB -0.110 40.735 40.800 0.075 0.000 0.985 3083 D HN 0.353 nan 8.370 nan 0.000 0.493 3084 A N 0.499 123.408 122.820 0.148 0.000 1.968 3084 A HA -0.097 4.223 4.320 0.000 0.000 0.217 3084 A C 1.925 179.555 177.584 0.077 0.000 1.169 3084 A CA 0.938 53.078 52.037 0.172 0.000 0.638 3084 A CB -0.368 18.736 19.000 0.173 0.000 0.812 3084 A HN 0.131 nan 8.150 nan 0.000 0.446 3085 E N -0.212 119.977 120.200 -0.020 0.000 2.153 3085 E HA -0.158 4.192 4.350 0.000 0.000 0.194 3085 E C 1.672 178.264 176.600 -0.013 0.000 0.988 3085 E CA 0.883 57.217 56.400 -0.110 0.000 0.811 3085 E CB -0.176 29.481 29.700 -0.071 0.000 0.746 3085 E HN 0.509 nan 8.360 nan 0.000 0.466 3086 I N 0.867 121.484 120.570 0.079 0.000 2.394 3086 I HA -0.210 3.960 4.170 0.000 0.000 0.251 3086 I C 2.297 178.497 176.117 0.139 0.000 1.136 3086 I CA 1.016 62.391 61.300 0.124 0.000 1.425 3086 I CB -0.739 37.367 38.000 0.176 0.000 1.079 3086 I HN 0.178 nan 8.210 nan 0.000 0.425 3087 L N 0.069 121.377 121.223 0.142 0.000 2.049 3087 L HA -0.139 4.201 4.340 0.000 0.000 0.203 3087 L C 2.559 179.419 176.870 -0.018 0.000 1.074 3087 L CA 1.220 56.084 54.840 0.039 0.000 0.749 3087 L CB -0.221 41.846 42.059 0.013 0.000 0.907 3087 L HN 0.076 nan 8.230 nan 0.000 0.439 3088 I N 0.085 120.625 120.570 -0.050 0.000 2.208 3088 I HA -0.368 3.802 4.170 0.000 0.000 0.245 3088 I C 2.235 178.304 176.117 -0.080 0.000 1.097 3088 I CA 1.564 62.787 61.300 -0.128 0.000 1.363 3088 I CB -0.497 37.360 38.000 -0.240 0.000 1.051 3088 I HN 0.400 nan 8.210 nan 0.000 0.413 3089 N N 0.751 119.417 118.700 -0.056 0.000 2.091 3089 N HA -0.240 4.500 4.740 0.000 0.000 0.193 3089 N C 1.842 177.352 175.510 -0.001 0.000 1.021 3089 N CA 2.405 55.442 53.050 -0.020 0.000 0.862 3089 N CB -0.221 38.265 38.487 -0.001 0.000 1.018 3089 N HN 0.468 nan 8.380 nan 0.000 0.429 3090 T N -3.443 111.113 114.554 0.004 0.000 3.067 3090 T HA 0.255 4.605 4.350 0.000 0.000 0.261 3090 T C 1.656 176.359 174.700 0.005 0.000 1.110 3090 T CA 0.761 62.870 62.100 0.014 0.000 1.113 3090 T CB -0.227 68.656 68.868 0.024 0.000 0.917 3090 T HN 0.210 nan 8.240 nan 0.000 0.499 3091 A N 1.544 124.348 122.820 -0.027 0.000 1.984 3091 A HA 0.286 4.606 4.320 0.000 0.000 0.214 3091 A C 2.485 180.067 177.584 -0.004 0.000 1.173 3091 A CA 0.337 52.352 52.037 -0.038 0.000 0.673 3091 A CB -0.400 18.535 19.000 -0.109 0.000 0.830 3091 A HN 0.474 nan 8.150 nan 0.000 0.453 3092 R N -0.565 119.929 120.500 -0.010 0.000 2.189 3092 R HA 0.089 4.429 4.340 0.000 0.000 0.223 3092 R C 1.605 177.916 176.300 0.019 0.000 1.092 3092 R CA 1.067 57.168 56.100 0.002 0.000 0.989 3092 R CB -0.246 30.056 30.300 0.003 0.000 0.876 3092 R HN 0.542 nan 8.270 nan 0.000 0.457 3093 I N -1.173 119.417 120.570 0.034 0.000 2.339 3093 I HA -0.187 3.983 4.170 0.000 0.000 0.245 3093 I C 2.199 178.358 176.117 0.070 0.000 1.096 3093 I CA 0.841 62.167 61.300 0.045 0.000 1.408 3093 I CB -0.154 37.875 38.000 0.047 0.000 1.092 3093 I HN 0.164 nan 8.210 nan 0.000 0.423 3094 H N 1.448 120.511 119.070 -0.012 0.000 2.319 3094 H HA -0.215 4.341 4.556 0.000 0.000 0.297 3094 H C 2.143 177.480 175.328 0.015 0.000 1.097 3094 H CA 1.960 58.005 56.048 -0.005 0.000 1.285 3094 H CB -0.107 29.627 29.762 -0.046 0.000 1.368 3094 H HN 0.332 nan 8.280 nan 0.000 0.495 3095 A N 0.458 123.284 122.820 0.011 0.000 1.869 3095 A HA -0.282 4.038 4.320 0.000 0.000 0.218 3095 A C 2.270 179.853 177.584 -0.001 0.000 1.203 3095 A CA 2.152 54.171 52.037 -0.030 0.000 0.638 3095 A CB -0.612 18.378 19.000 -0.016 0.000 0.831 3095 A HN 0.561 nan 8.150 nan 0.000 0.450 3096 Q N -0.343 119.461 119.800 0.007 0.000 2.291 3096 Q HA -0.080 4.260 4.340 0.000 0.000 0.205 3096 Q C 1.550 177.553 176.000 0.005 0.000 0.970 3096 Q CA 0.976 56.786 55.803 0.012 0.000 0.876 3096 Q CB -0.449 28.295 28.738 0.009 0.000 0.935 3096 Q HN 0.677 nan 8.270 nan 0.000 0.455 3097 N N -0.215 118.478 118.700 -0.011 0.000 2.300 3097 N HA -0.116 4.624 4.740 0.000 0.000 0.179 3097 N C 1.441 176.943 175.510 -0.014 0.000 1.016 3097 N CA 0.611 53.646 53.050 -0.026 0.000 0.876 3097 N CB -0.152 38.318 38.487 -0.029 0.000 0.979 3097 N HN 0.297 nan 8.380 nan 0.000 0.432 3098 Y N 0.704 120.922 120.300 -0.136 0.000 2.561 3098 Y HA 0.023 4.573 4.550 0.000 0.000 0.291 3098 Y C 1.850 177.781 175.900 0.052 0.000 1.141 3098 Y CA 0.367 58.456 58.100 -0.019 0.000 1.303 3098 Y CB 0.090 38.466 38.460 -0.140 0.000 1.015 3098 Y HN -0.084 nan 8.280 nan 0.000 0.547 3099 L N 1.019 122.300 121.223 0.095 0.000 2.051 3099 L HA -0.047 4.293 4.340 0.000 0.000 0.202 3099 L C 2.484 179.335 176.870 -0.032 0.000 1.097 3099 L CA 1.880 56.743 54.840 0.039 0.000 0.762 3099 L CB -1.230 40.852 42.059 0.038 0.000 0.913 3099 L HN 0.148 nan 8.230 nan 0.000 0.447 3100 K N -1.483 118.894 120.400 -0.038 0.000 2.318 3100 K HA -0.227 4.093 4.320 0.000 0.000 0.204 3100 K C 1.388 177.912 176.600 -0.126 0.000 1.044 3100 K CA 2.023 58.270 56.287 -0.067 0.000 0.932 3100 K CB -0.085 32.383 32.500 -0.054 0.000 0.734 3100 K HN 0.439 nan 8.250 nan 0.000 0.473 3101 T N -0.859 113.584 114.554 -0.185 0.000 2.988 3101 T HA 0.035 4.385 4.350 0.000 0.000 0.240 3101 T C 0.815 175.222 174.700 -0.488 0.000 1.014 3101 T CA 0.819 62.694 62.100 -0.376 0.000 1.155 3101 T CB -0.110 68.447 68.868 -0.518 0.000 0.872 3101 T HN 0.291 nan 8.240 nan 0.000 0.440 3102 Y N 0.814 120.927 120.300 -0.312 0.000 2.467 3102 Y HA 0.426 4.976 4.550 0.000 0.000 0.250 3102 Y C 1.217 176.993 175.900 -0.206 0.000 1.155 3102 Y CA -0.740 57.171 58.100 -0.314 0.000 1.249 3102 Y CB 0.080 38.214 38.460 -0.543 0.000 1.146 3102 Y HN 0.097 nan 8.280 nan 0.000 0.524 3103 N N 1.605 120.284 118.700 -0.035 0.000 2.714 3103 N HA -0.228 4.513 4.740 0.000 0.000 0.250 3103 N C -0.778 174.735 175.510 0.005 0.000 1.117 3103 N CA 1.119 54.159 53.050 -0.016 0.000 0.719 3103 N CB -0.715 37.758 38.487 -0.024 0.000 1.081 3103 N HN 0.565 nan 8.380 nan 0.000 0.557 3104 E N -0.137 120.075 120.200 0.020 0.000 2.312 3104 E HA 0.271 4.621 4.350 0.000 0.000 0.267 3104 E C -1.035 175.649 176.600 0.141 0.000 0.894 3104 E CA -0.819 55.614 56.400 0.055 0.000 0.773 3104 E CB 1.186 30.913 29.700 0.045 0.000 1.241 3104 E HN 0.038 nan 8.360 nan 0.000 0.432 3105 D N 1.721 122.180 120.400 0.098 0.000 2.424 3105 D HA 0.065 4.706 4.640 0.000 0.000 0.244 3105 D C -0.150 176.198 176.300 0.080 0.000 1.134 3105 D CA 0.107 54.156 54.000 0.082 0.000 0.881 3105 D CB 0.675 41.481 40.800 0.010 0.000 1.191 3105 D HN 0.348 nan 8.370 nan 0.000 0.445 3106 I N 3.849 124.412 120.570 -0.010 0.000 2.683 3106 I HA 0.040 4.210 4.170 0.000 0.000 0.286 3106 I C -2.152 173.737 176.117 -0.381 0.000 1.175 3106 I CA -1.085 59.955 61.300 -0.433 0.000 1.429 3106 I CB 0.668 38.393 38.000 -0.457 0.000 1.371 3106 I HN 0.125 nan 8.210 nan 0.000 0.569 3107 P HA 0.045 nan 4.420 nan 0.000 0.271 3107 P C 0.755 177.857 177.300 -0.329 0.000 1.216 3107 P CA -0.339 62.575 63.100 -0.310 0.000 0.771 3107 P CB 1.013 32.554 31.700 -0.264 0.000 0.864 3108 V N 3.149 122.905 119.914 -0.263 0.000 2.255 3108 V HA -0.275 3.845 4.120 0.000 0.000 0.247 3108 V C 2.295 178.049 176.094 -0.567 0.000 1.051 3108 V CA 2.301 64.398 62.300 -0.338 0.000 1.018 3108 V CB -1.140 30.569 31.823 -0.190 0.000 0.641 3108 V HN 0.701 nan 8.190 nan 0.000 0.445 3109 E N 0.039 119.896 120.200 -0.572 0.000 2.130 3109 E HA -0.247 4.104 4.350 0.000 0.000 0.196 3109 E C 2.093 178.319 176.600 -0.623 0.000 0.998 3109 E CA 1.787 57.734 56.400 -0.755 0.000 0.806 3109 E CB -0.191 29.226 29.700 -0.471 0.000 0.738 3109 E HN 0.656 nan 8.360 nan 0.000 0.459 3110 I N 0.786 121.093 120.570 -0.439 0.000 2.439 3110 I HA -0.209 3.961 4.170 0.000 0.000 0.251 3110 I C 2.518 178.435 176.117 -0.333 0.000 1.139 3110 I CA 0.505 61.604 61.300 -0.336 0.000 1.438 3110 I CB -0.218 37.597 38.000 -0.309 0.000 1.085 3110 I HN 0.304 nan 8.210 nan 0.000 0.427 3111 L N 0.392 121.377 121.223 -0.396 0.000 2.044 3111 L HA -0.147 4.193 4.340 0.000 0.000 0.205 3111 L C 2.602 179.151 176.870 -0.536 0.000 1.075 3111 L CA 1.200 55.831 54.840 -0.348 0.000 0.747 3111 L CB -0.020 41.837 42.059 -0.337 0.000 0.903 3111 L HN -0.001 nan 8.230 nan 0.000 0.435 3112 V N 0.406 119.839 119.914 -0.801 0.000 2.255 3112 V HA -0.347 3.773 4.120 0.000 0.000 0.247 3112 V C 2.728 178.398 176.094 -0.707 0.000 1.051 3112 V CA 2.327 64.016 62.300 -1.018 0.000 1.018 3112 V CB -0.788 30.215 31.823 -1.366 0.000 0.641 3112 V HN 0.544 nan 8.190 nan 0.000 0.445 3113 R N 0.094 120.153 120.500 -0.736 0.000 2.117 3113 R HA -0.265 4.075 4.340 0.000 0.000 0.243 3113 R C 2.390 178.545 176.300 -0.241 0.000 1.143 3113 R CA 2.178 58.045 56.100 -0.388 0.000 0.968 3113 R CB -0.305 29.854 30.300 -0.236 0.000 0.863 3113 R HN 0.351 nan 8.270 nan 0.000 0.444 3114 R N 0.660 120.965 120.500 -0.324 0.000 2.105 3114 R HA -0.065 4.276 4.340 0.000 0.000 0.239 3114 R C 2.122 178.265 176.300 -0.262 0.000 1.135 3114 R CA 1.538 57.422 56.100 -0.358 0.000 0.967 3114 R CB -0.407 29.484 30.300 -0.681 0.000 0.861 3114 R HN 0.335 nan 8.270 nan 0.000 0.442 3115 L N -1.034 120.051 121.223 -0.230 0.000 2.034 3115 L HA -0.051 4.289 4.340 0.000 0.000 0.203 3115 L C 2.181 179.027 176.870 -0.040 0.000 1.074 3115 L CA 1.386 56.152 54.840 -0.124 0.000 0.748 3115 L CB -0.584 41.435 42.059 -0.068 0.000 0.905 3115 L HN 0.153 nan 8.230 nan 0.000 0.439 3116 S N 0.016 115.722 115.700 0.010 0.000 2.428 3116 S HA -0.246 4.224 4.470 0.000 0.000 0.240 3116 S C 1.361 176.009 174.600 0.080 0.000 1.036 3116 S CA 1.715 59.980 58.200 0.108 0.000 1.009 3116 S CB -0.411 62.930 63.200 0.234 0.000 0.803 3116 S HN 0.426 nan 8.310 nan 0.000 0.486 3117 D N 0.800 121.213 120.400 0.021 0.000 2.289 3117 D HA 0.114 4.754 4.640 0.000 0.000 0.207 3117 D C 1.688 177.994 176.300 0.011 0.000 0.966 3117 D CA 0.514 54.522 54.000 0.014 0.000 0.868 3117 D CB -0.121 40.666 40.800 -0.022 0.000 0.943 3117 D HN 0.462 nan 8.370 nan 0.000 0.514 3118 I N 0.075 120.648 120.570 0.006 0.000 2.703 3118 I HA -0.072 4.099 4.170 0.000 0.000 0.259 3118 I C 2.063 178.292 176.117 0.186 0.000 1.151 3118 I CA 0.376 61.703 61.300 0.045 0.000 1.470 3118 I CB -0.118 37.902 38.000 0.034 0.000 1.112 3118 I HN -0.172 nan 8.210 nan 0.000 0.437 3119 K N 1.660 122.141 120.400 0.135 0.000 2.002 3119 K HA -0.226 4.094 4.320 0.000 0.000 0.209 3119 K C 2.129 178.901 176.600 0.287 0.000 1.048 3119 K CA 1.862 58.293 56.287 0.239 0.000 0.930 3119 K CB -0.487 32.083 32.500 0.117 0.000 0.714 3119 K HN 0.371 nan 8.250 nan 0.000 0.438 3120 Q N 0.809 120.710 119.800 0.169 0.000 2.437 3120 Q HA -0.052 4.288 4.340 0.000 0.000 0.210 3120 Q C 1.651 177.718 176.000 0.112 0.000 0.972 3120 Q CA 1.670 57.554 55.803 0.135 0.000 0.903 3120 Q CB -0.577 28.216 28.738 0.091 0.000 0.967 3120 Q HN 0.278 nan 8.270 nan 0.000 0.486 3121 G N -0.649 108.202 108.800 0.085 0.000 2.443 3121 G HA2 -0.206 3.754 3.960 0.000 0.000 0.219 3121 G HA3 -0.206 3.754 3.960 0.000 0.000 0.219 3121 G C 0.607 175.448 174.900 -0.097 0.000 1.131 3121 G CA 0.704 45.770 45.100 -0.056 0.000 0.775 3121 G HN 0.500 nan 8.290 nan 0.000 0.547 3122 Y N -0.212 120.171 120.300 0.138 0.000 2.509 3122 Y HA 0.161 4.711 4.550 0.000 0.000 0.270 3122 Y C 2.648 178.612 175.900 0.106 0.000 1.103 3122 Y CA 0.628 58.804 58.100 0.126 0.000 1.278 3122 Y CB 0.178 38.709 38.460 0.119 0.000 1.087 3122 Y HN -0.001 nan 8.280 nan 0.000 0.542 3123 T N 0.664 115.367 114.554 0.249 0.000 3.427 3123 T HA -0.108 4.242 4.350 0.000 0.000 0.256 3123 T C 1.323 176.089 174.700 0.109 0.000 1.172 3123 T CA 1.154 63.348 62.100 0.158 0.000 1.018 3123 T CB -0.220 68.731 68.868 0.138 0.000 0.981 3123 T HN 0.494 nan 8.240 nan 0.000 0.555 3124 Q N -0.930 118.938 119.800 0.114 0.000 2.305 3124 Q HA -0.006 4.334 4.340 0.000 0.000 0.176 3124 Q C 0.378 176.423 176.000 0.074 0.000 0.708 3124 Q CA -0.326 55.522 55.803 0.075 0.000 0.888 3124 Q CB 0.277 29.052 28.738 0.061 0.000 1.240 3124 Q HN 0.423 nan 8.270 nan 0.000 0.392 3125 H N 1.209 120.282 119.070 0.004 0.000 3.220 3125 H HA 0.204 4.760 4.556 0.000 0.000 0.225 3125 H C 0.395 175.739 175.328 0.026 0.000 1.869 3125 H CA 0.975 57.018 56.048 -0.008 0.000 1.428 3125 H CB -0.073 29.654 29.762 -0.059 0.000 1.792 3125 H HN 0.518 nan 8.280 nan 0.000 0.595 3126 G N 1.641 110.450 108.800 0.016 0.000 3.286 3126 G HA2 -0.105 3.855 3.960 0.000 0.000 0.213 3126 G HA3 -0.105 3.855 3.960 0.000 0.000 0.213 3126 G C 1.293 176.219 174.900 0.045 0.000 1.274 3126 G CA 0.255 45.386 45.100 0.050 0.000 1.218 3126 G HN 0.586 nan 8.290 nan 0.000 0.504 3127 G N -0.627 108.233 108.800 0.101 0.000 3.126 3127 G HA2 0.461 4.421 3.960 0.000 0.000 0.224 3127 G HA3 0.461 4.421 3.960 0.000 0.000 0.224 3127 G C 0.203 175.205 174.900 0.170 0.000 1.142 3127 G CA -0.175 44.993 45.100 0.114 0.000 0.759 3127 G HN 0.379 nan 8.290 nan 0.000 0.550 3128 L N -0.369 120.990 121.223 0.227 0.000 2.415 3128 L HA 0.515 4.855 4.340 0.000 0.000 0.256 3128 L C -0.349 176.605 176.870 0.140 0.000 1.010 3128 L CA -1.502 53.456 54.840 0.198 0.000 0.826 3128 L CB 2.423 44.675 42.059 0.320 0.000 1.405 3128 L HN 0.113 nan 8.230 nan 0.000 0.410 3129 R N 0.482 120.953 120.500 -0.048 0.000 2.265 3129 R HA 0.547 4.887 4.340 0.000 0.000 0.314 3129 R C -2.570 173.536 176.300 -0.323 0.000 1.053 3129 R CA -1.537 54.481 56.100 -0.137 0.000 0.931 3129 R CB 0.015 30.227 30.300 -0.146 0.000 1.024 3129 R HN 0.164 nan 8.270 nan 0.000 0.457 3130 P HA -0.175 nan 4.420 nan 0.000 0.275 3130 P C -0.940 176.192 177.300 -0.281 0.000 1.255 3130 P CA 0.302 63.334 63.100 -0.113 0.000 0.843 3130 P CB 0.296 32.013 31.700 0.028 0.000 0.948 3131 F N -1.195 118.689 119.950 -0.111 0.000 2.421 3131 F HA 0.443 4.970 4.527 0.000 0.000 0.337 3131 F C 1.483 177.235 175.800 -0.079 0.000 1.105 3131 F CA 0.167 58.098 58.000 -0.115 0.000 1.049 3131 F CB 1.033 39.992 39.000 -0.069 0.000 1.139 3131 F HN 0.281 nan 8.300 nan 0.000 0.479 3132 G N 1.231 110.089 108.800 0.096 0.000 2.421 3132 G HA2 0.305 4.265 3.960 0.000 0.000 0.238 3132 G HA3 0.305 4.265 3.960 0.000 0.000 0.238 3132 G C -0.294 174.608 174.900 0.004 0.000 1.544 3132 G CA -0.100 45.023 45.100 0.039 0.000 1.044 3132 G HN 0.742 nan 8.290 nan 0.000 0.537 3133 V N -1.248 118.618 119.914 -0.081 0.000 3.565 3133 V HA -0.086 4.034 4.120 0.000 0.000 0.508 3133 V C 0.087 175.960 176.094 -0.368 0.000 0.682 3133 V CA 0.682 62.821 62.300 -0.268 0.000 2.059 3133 V CB -1.338 30.275 31.823 -0.349 0.000 2.484 3133 V HN 0.942 nan 8.190 nan 0.000 0.510 3134 S N 4.606 120.049 115.700 -0.430 0.000 2.538 3134 S HA 0.894 5.364 4.470 0.000 0.000 0.288 3134 S C -0.971 173.357 174.600 -0.453 0.000 1.108 3134 S CA -0.502 57.480 58.200 -0.363 0.000 0.971 3134 S CB 1.340 64.442 63.200 -0.165 0.000 1.041 3134 S HN 0.504 nan 8.310 nan 0.000 0.483 3135 F N 2.301 122.148 119.950 -0.173 0.000 2.480 3135 F HA 0.599 5.126 4.527 0.000 0.000 0.329 3135 F C 0.169 175.737 175.800 -0.386 0.000 1.091 3135 F CA -1.006 56.771 58.000 -0.372 0.000 0.972 3135 F CB 1.013 39.558 39.000 -0.758 0.000 1.150 3135 F HN 0.329 nan 8.300 nan 0.000 0.467 3136 I N 3.630 124.141 120.570 -0.099 0.000 2.354 3136 I HA 0.287 4.457 4.170 0.000 0.000 0.292 3136 I C -1.158 174.878 176.117 -0.136 0.000 0.989 3136 I CA -0.813 60.437 61.300 -0.084 0.000 1.188 3136 I CB 1.063 39.042 38.000 -0.034 0.000 1.342 3136 I HN 0.455 nan 8.210 nan 0.000 0.457 3137 Y N 4.605 125.010 120.300 0.176 0.000 2.341 3137 Y HA 0.664 5.214 4.550 0.000 0.000 0.337 3137 Y C 0.345 176.339 175.900 0.156 0.000 1.014 3137 Y CA -0.883 57.289 58.100 0.121 0.000 1.111 3137 Y CB 1.695 40.208 38.460 0.089 0.000 1.194 3137 Y HN 0.573 nan 8.280 nan 0.000 0.462 3138 A N 2.421 125.398 122.820 0.262 0.000 2.311 3138 A HA 0.860 5.180 4.320 0.000 0.000 0.306 3138 A C -0.154 177.565 177.584 0.225 0.000 1.189 3138 A CA -0.247 51.927 52.037 0.229 0.000 0.791 3138 A CB 0.535 19.627 19.000 0.154 0.000 1.172 3138 A HN 0.904 nan 8.150 nan 0.000 0.481 3139 G N 0.100 109.054 108.800 0.257 0.000 2.690 3139 G HA2 0.553 4.514 3.960 0.000 0.000 0.293 3139 G HA3 0.553 4.514 3.960 0.000 0.000 0.293 3139 G C -1.885 173.181 174.900 0.278 0.000 1.399 3139 G CA -0.454 44.775 45.100 0.215 0.000 0.890 3139 G HN 0.882 nan 8.290 nan 0.000 0.485 3140 Y N 1.343 121.678 120.300 0.057 0.000 2.391 3140 Y HA 0.562 5.112 4.550 0.000 0.000 0.341 3140 Y C -1.235 174.627 175.900 -0.063 0.000 0.965 3140 Y CA -0.850 57.212 58.100 -0.064 0.000 1.067 3140 Y CB 2.027 40.354 38.460 -0.221 0.000 1.199 3140 Y HN 0.765 nan 8.280 nan 0.000 0.450 3141 D N 2.811 122.731 120.400 -0.800 0.000 2.732 3141 D HA 0.136 4.776 4.640 0.000 0.000 0.229 3141 D C -0.493 175.262 176.300 -0.907 0.000 1.152 3141 D CA -0.775 52.775 54.000 -0.750 0.000 0.854 3141 D CB 1.318 41.932 40.800 -0.311 0.000 1.590 3141 D HN 0.589 nan 8.370 nan 0.000 0.468 3142 D N 0.363 120.381 120.400 -0.636 0.000 2.358 3142 D HA -0.101 4.539 4.640 0.000 0.000 0.241 3142 D C 1.030 177.201 176.300 -0.216 0.000 1.094 3142 D CA 0.006 53.781 54.000 -0.375 0.000 0.907 3142 D CB 0.421 41.115 40.800 -0.176 0.000 0.893 3142 D HN 0.451 nan 8.370 nan 0.000 0.528 3143 R N -0.457 119.912 120.500 -0.218 0.000 2.103 3143 R HA 0.009 4.349 4.340 0.000 0.000 0.212 3143 R C -0.029 176.059 176.300 -0.353 0.000 1.107 3143 R CA 0.317 56.271 56.100 -0.242 0.000 1.025 3143 R CB 0.370 30.559 30.300 -0.186 0.000 0.929 3143 R HN 0.067 nan 8.270 nan 0.000 0.456 3144 Y N 0.709 120.963 120.300 -0.076 0.000 2.749 3144 Y HA 0.324 4.874 4.550 0.000 0.000 0.343 3144 Y C 0.922 176.839 175.900 0.027 0.000 1.015 3144 Y CA -0.281 57.818 58.100 -0.002 0.000 1.270 3144 Y CB 1.256 39.736 38.460 0.032 0.000 1.097 3144 Y HN 0.344 nan 8.280 nan 0.000 0.571 3145 G N 1.344 110.251 108.800 0.178 0.000 2.683 3145 G HA2 -0.360 3.600 3.960 0.000 0.000 0.975 3145 G HA3 -0.360 3.600 3.960 0.000 0.000 0.975 3145 G C -0.246 174.851 174.900 0.328 0.000 1.210 3145 G CA 0.344 45.610 45.100 0.278 0.000 0.846 3145 G HN 0.536 nan 8.290 nan 0.000 0.739 3146 Y N 1.250 121.776 120.300 0.375 0.000 2.304 3146 Y HA 0.476 5.026 4.550 -0.000 0.000 0.327 3146 Y C 1.124 177.161 175.900 0.229 0.000 1.209 3146 Y CA 0.123 58.413 58.100 0.317 0.000 1.299 3146 Y CB 0.940 39.511 38.460 0.185 0.000 1.249 3146 Y HN 0.408 nan 8.280 nan 0.000 0.519 3147 Q N 2.467 122.492 119.800 0.374 0.000 2.397 3147 Q HA 0.617 4.957 4.340 0.000 0.000 0.275 3147 Q C -1.878 174.267 176.000 0.242 0.000 1.090 3147 Q CA -1.283 54.681 55.803 0.267 0.000 0.809 3147 Q CB 3.090 32.061 28.738 0.388 0.000 1.362 3147 Q HN 0.450 nan 8.270 nan 0.000 0.431 3148 L N 1.967 123.228 121.223 0.064 0.000 2.409 3148 L HA 0.546 4.886 4.340 0.000 0.000 0.272 3148 L C -1.910 174.958 176.870 -0.005 0.000 0.980 3148 L CA -0.343 54.576 54.840 0.131 0.000 0.826 3148 L CB 1.352 43.492 42.059 0.136 0.000 1.268 3148 L HN 0.591 nan 8.230 nan 0.000 0.407 3149 Y N 1.739 122.243 120.300 0.341 0.000 2.633 3149 Y HA 0.790 5.340 4.550 0.000 0.000 0.339 3149 Y C 0.182 176.387 175.900 0.508 0.000 1.045 3149 Y CA -0.677 57.690 58.100 0.445 0.000 1.098 3149 Y CB 2.647 41.328 38.460 0.368 0.000 1.296 3149 Y HN 0.458 nan 8.280 nan 0.000 0.494 3150 T N 0.497 115.489 114.554 0.731 0.000 2.909 3150 T HA 0.507 4.857 4.350 0.000 0.000 0.299 3150 T C -1.341 173.652 174.700 0.489 0.000 1.073 3150 T CA -0.727 61.665 62.100 0.486 0.000 0.999 3150 T CB 1.275 70.424 68.868 0.469 0.000 1.098 3150 T HN 0.426 nan 8.240 nan 0.000 0.477 3151 S N 3.296 119.183 115.700 0.311 0.000 2.356 3151 S HA 0.291 4.761 4.470 0.000 0.000 0.171 3151 S C -0.200 174.488 174.600 0.147 0.000 1.399 3151 S CA -0.866 57.527 58.200 0.322 0.000 1.225 3151 S CB -0.193 63.297 63.200 0.482 0.000 1.271 3151 S HN 0.731 nan 8.310 nan 0.000 0.427 3152 N N 2.756 121.534 118.700 0.131 0.000 2.424 3152 N HA 0.253 4.993 4.740 0.000 0.000 0.257 3152 N C -2.547 173.010 175.510 0.079 0.000 1.250 3152 N CA -1.302 51.786 53.050 0.063 0.000 0.946 3152 N CB 0.279 38.803 38.487 0.061 0.000 1.175 3152 N HN 0.146 nan 8.380 nan 0.000 0.477 3153 P HA 0.028 nan 4.420 nan 0.000 0.242 3153 P C 1.187 178.559 177.300 0.121 0.000 1.197 3153 P CA 0.469 63.634 63.100 0.108 0.000 0.765 3153 P CB 0.162 31.935 31.700 0.122 0.000 0.936 3154 S N -0.605 115.154 115.700 0.097 0.000 2.383 3154 S HA -0.027 4.443 4.470 0.000 0.000 0.229 3154 S C 1.759 176.417 174.600 0.097 0.000 1.030 3154 S CA 1.880 60.132 58.200 0.086 0.000 1.002 3154 S CB -0.784 62.458 63.200 0.069 0.000 0.829 3154 S HN 0.337 nan 8.310 nan 0.000 0.467 3155 G N 0.216 109.085 108.800 0.116 0.000 2.255 3155 G HA2 -0.159 3.801 3.960 0.000 0.000 0.196 3155 G HA3 -0.159 3.801 3.960 0.000 0.000 0.196 3155 G C -0.134 174.849 174.900 0.139 0.000 0.998 3155 G CA -0.215 44.960 45.100 0.125 0.000 0.656 3155 G HN 0.495 nan 8.290 nan 0.000 0.490 3156 N N 0.460 119.231 118.700 0.118 0.000 2.518 3156 N HA 0.574 5.314 4.740 0.000 0.000 0.283 3156 N C -0.453 175.179 175.510 0.203 0.000 1.119 3156 N CA 0.268 53.366 53.050 0.080 0.000 0.983 3156 N CB 1.063 39.569 38.487 0.031 0.000 1.139 3156 N HN 0.571 nan 8.380 nan 0.000 0.465 3157 Y N -1.564 118.816 120.300 0.134 0.000 2.562 3157 Y HA 0.739 5.289 4.550 0.000 0.000 0.343 3157 Y C -0.490 175.511 175.900 0.169 0.000 1.025 3157 Y CA -0.950 57.279 58.100 0.214 0.000 1.082 3157 Y CB 1.336 39.934 38.460 0.229 0.000 1.264 3157 Y HN 0.385 nan 8.280 nan 0.000 0.478 3158 T N -0.607 114.169 114.554 0.370 0.000 2.894 3158 T HA 0.649 4.999 4.350 0.000 0.000 0.309 3158 T C -0.221 174.308 174.700 -0.285 0.000 1.208 3158 T CA -0.551 61.528 62.100 -0.035 0.000 1.016 3158 T CB 1.269 70.045 68.868 -0.154 0.000 1.192 3158 T HN 1.193 nan 8.240 nan 0.000 0.491 3159 G N 0.012 108.459 108.800 -0.588 0.000 2.415 3159 G HA2 0.556 4.516 3.960 0.000 0.000 0.269 3159 G HA3 0.556 4.516 3.960 0.000 0.000 0.269 3159 G C -1.517 172.854 174.900 -0.883 0.000 1.209 3159 G CA -0.824 43.882 45.100 -0.657 0.000 0.835 3159 G HN 0.694 nan 8.290 nan 0.000 0.534 3160 W N 0.638 121.817 121.300 -0.202 0.000 3.097 3160 W HA 0.432 5.092 4.660 0.000 0.000 0.335 3160 W C 0.732 177.164 176.519 -0.144 0.000 1.114 3160 W CA -0.960 56.300 57.345 -0.142 0.000 1.231 3160 W CB 2.241 31.641 29.460 -0.100 0.000 1.388 3160 W HN 0.479 nan 8.180 nan 0.000 0.485 3161 K N 1.967 122.410 120.400 0.071 0.000 2.400 3161 K HA 0.462 4.782 4.320 0.000 0.000 0.194 3161 K C 0.306 176.800 176.600 -0.177 0.000 1.033 3161 K CA 0.464 56.697 56.287 -0.090 0.000 1.021 3161 K CB 0.492 32.826 32.500 -0.277 0.000 0.808 3161 K HN 0.352 nan 8.250 nan 0.000 0.505 3162 A N 0.970 123.752 122.820 -0.062 0.000 2.590 3162 A HA 0.524 4.844 4.320 0.000 0.000 0.309 3162 A C -1.886 175.615 177.584 -0.139 0.000 1.039 3162 A CA -0.797 51.173 52.037 -0.111 0.000 0.824 3162 A CB 0.764 19.621 19.000 -0.238 0.000 1.247 3162 A HN 0.041 nan 8.150 nan 0.000 0.394 3163 I N 0.844 121.276 120.570 -0.230 0.000 3.149 3163 I HA 0.856 5.026 4.170 0.000 0.000 0.310 3163 I C -0.628 175.286 176.117 -0.338 0.000 1.343 3163 I CA 0.348 61.356 61.300 -0.486 0.000 0.955 3163 I CB 2.409 39.911 38.000 -0.830 0.000 1.309 3163 I HN 1.557 nan 8.210 nan 0.000 0.478 3164 S N 3.053 118.524 115.700 -0.381 0.000 2.537 3164 S HA 0.905 5.375 4.470 0.000 0.000 0.271 3164 S C -1.392 173.076 174.600 -0.220 0.000 1.148 3164 S CA -0.594 57.465 58.200 -0.235 0.000 0.868 3164 S CB 1.238 64.337 63.200 -0.168 0.000 1.115 3164 S HN 1.108 nan 8.310 nan 0.000 0.461 3165 V N -0.794 119.029 119.914 -0.152 0.000 3.007 3165 V HA 1.050 5.170 4.120 0.000 0.000 0.311 3165 V C 0.733 176.774 176.094 -0.088 0.000 1.120 3165 V CA 0.080 62.306 62.300 -0.124 0.000 0.980 3165 V CB 0.560 32.312 31.823 -0.118 0.000 1.033 3165 V HN 2.339 nan 8.190 nan 0.000 0.429 3166 G N 1.200 109.953 108.800 -0.078 0.000 2.500 3166 G HA2 0.420 4.380 3.960 0.000 0.000 0.209 3166 G HA3 0.420 4.380 3.960 0.000 0.000 0.209 3166 G C 0.091 174.963 174.900 -0.048 0.000 1.283 3166 G CA -0.035 45.031 45.100 -0.056 0.000 0.960 3166 G HN 2.247 nan 8.290 nan 0.000 0.528 3167 A N -0.395 122.412 122.820 -0.023 0.000 2.507 3167 A HA 0.512 4.832 4.320 0.000 0.000 0.235 3167 A C 1.305 178.877 177.584 -0.020 0.000 1.070 3167 A CA 1.335 53.367 52.037 -0.008 0.000 0.768 3167 A CB -0.559 18.455 19.000 0.024 0.000 1.011 3167 A HN 1.964 nan 8.150 nan 0.000 0.502 3168 N N -0.419 118.271 118.700 -0.017 0.000 2.721 3168 N HA -0.231 4.509 4.740 0.000 0.000 0.249 3168 N C 0.936 176.424 175.510 -0.036 0.000 1.072 3168 N CA 0.755 53.792 53.050 -0.022 0.000 0.710 3168 N CB -0.985 37.493 38.487 -0.015 0.000 0.993 3168 N HN 0.884 nan 8.380 nan 0.000 0.547 3169 T N -1.259 113.266 114.554 -0.048 0.000 2.698 3169 T HA -0.114 4.236 4.350 0.000 0.000 0.260 3169 T C 1.869 176.531 174.700 -0.065 0.000 1.044 3169 T CA 1.809 63.868 62.100 -0.068 0.000 1.149 3169 T CB -0.119 68.700 68.868 -0.082 0.000 0.864 3169 T HN 0.339 nan 8.240 nan 0.000 0.419 3170 S N 0.032 115.701 115.700 -0.052 0.000 2.420 3170 S HA -0.046 4.424 4.470 0.000 0.000 0.237 3170 S C 2.177 176.757 174.600 -0.034 0.000 1.023 3170 S CA 1.543 59.718 58.200 -0.041 0.000 0.991 3170 S CB -0.708 62.474 63.200 -0.030 0.000 0.792 3170 S HN 0.677 nan 8.310 nan 0.000 0.488 3171 A N 0.923 123.724 122.820 -0.031 0.000 1.855 3171 A HA 0.410 4.731 4.320 0.000 0.000 0.213 3171 A C 2.439 180.008 177.584 -0.026 0.000 1.195 3171 A CA 1.373 53.396 52.037 -0.023 0.000 0.610 3171 A CB -1.324 17.665 19.000 -0.018 0.000 0.837 3171 A HN 0.683 nan 8.150 nan 0.000 0.444 3172 A N -1.134 121.665 122.820 -0.035 0.000 1.969 3172 A HA -0.151 4.169 4.320 0.000 0.000 0.218 3172 A C 2.066 179.624 177.584 -0.043 0.000 1.169 3172 A CA 1.971 53.986 52.037 -0.035 0.000 0.635 3172 A CB -0.483 18.491 19.000 -0.043 0.000 0.810 3172 A HN 0.466 nan 8.150 nan 0.000 0.445 3173 Q N -0.145 119.618 119.800 -0.062 0.000 2.308 3173 Q HA -0.118 4.222 4.340 0.000 0.000 0.209 3173 Q C 1.832 177.812 176.000 -0.033 0.000 0.985 3173 Q CA 2.266 58.027 55.803 -0.070 0.000 0.881 3173 Q CB -0.728 27.959 28.738 -0.085 0.000 0.917 3173 Q HN 0.628 nan 8.270 nan 0.000 0.443 3174 T N -0.544 113.998 114.554 -0.020 0.000 2.852 3174 T HA 0.012 4.362 4.350 0.000 0.000 0.256 3174 T C 1.490 176.194 174.700 0.006 0.000 1.038 3174 T CA 0.853 62.951 62.100 -0.003 0.000 1.141 3174 T CB -0.066 68.800 68.868 -0.003 0.000 0.869 3174 T HN 0.149 nan 8.240 nan 0.000 0.439 3175 L N 0.937 122.163 121.223 0.004 0.000 2.083 3175 L HA 0.019 4.359 4.340 0.000 0.000 0.209 3175 L C 2.322 179.209 176.870 0.028 0.000 1.083 3175 L CA 1.204 56.052 54.840 0.014 0.000 0.752 3175 L CB -0.835 41.230 42.059 0.009 0.000 0.899 3175 L HN 0.202 nan 8.230 nan 0.000 0.433 3176 L N -0.913 120.322 121.223 0.019 0.000 2.017 3176 L HA -0.249 4.091 4.340 0.000 0.000 0.208 3176 L C 2.726 179.634 176.870 0.063 0.000 1.073 3176 L CA 1.389 56.251 54.840 0.035 0.000 0.745 3176 L CB -0.487 41.565 42.059 -0.012 0.000 0.894 3176 L HN 0.380 nan 8.230 nan 0.000 0.432 3177 Q N -0.435 119.386 119.800 0.036 0.000 2.297 3177 Q HA -0.246 4.094 4.340 0.000 0.000 0.208 3177 Q C 2.185 178.232 176.000 0.079 0.000 0.981 3177 Q CA 1.532 57.365 55.803 0.050 0.000 0.876 3177 Q CB 0.070 28.828 28.738 0.032 0.000 0.921 3177 Q HN 0.498 nan 8.270 nan 0.000 0.446 3178 M N -0.486 119.154 119.600 0.067 0.000 2.299 3178 M HA -0.074 4.406 4.480 0.000 0.000 0.264 3178 M C 0.790 177.132 176.300 0.070 0.000 1.095 3178 M CA 1.079 56.415 55.300 0.059 0.000 1.165 3178 M CB 0.431 33.054 32.600 0.038 0.000 1.349 3178 M HN 0.080 nan 8.290 nan 0.000 0.446 3179 D N -0.913 119.534 120.400 0.079 0.000 2.339 3179 D HA -0.003 4.637 4.640 0.000 0.000 0.217 3179 D C -0.244 176.106 176.300 0.083 0.000 1.050 3179 D CA 0.267 54.306 54.000 0.064 0.000 0.856 3179 D CB 0.030 40.859 40.800 0.048 0.000 0.922 3179 D HN 0.250 nan 8.370 nan 0.000 0.518 3180 Y N 2.159 122.466 120.300 0.013 0.000 2.377 3180 Y HA 0.168 4.718 4.550 0.000 0.000 0.330 3180 Y C -0.009 175.901 175.900 0.017 0.000 1.108 3180 Y CA -0.013 58.097 58.100 0.016 0.000 1.308 3180 Y CB 0.469 38.943 38.460 0.023 0.000 1.216 3180 Y HN -0.368 nan 8.280 nan 0.000 0.518 3181 K N 5.043 125.050 120.400 -0.655 0.000 2.427 3181 K HA 0.164 4.484 4.320 0.000 0.000 0.252 3181 K C -0.285 175.914 176.600 -0.670 0.000 0.931 3181 K CA -0.881 55.146 56.287 -0.434 0.000 0.793 3181 K CB 1.858 34.226 32.500 -0.221 0.000 1.211 3181 K HN 0.615 nan 8.250 nan 0.000 0.426 3182 D N 1.653 121.906 120.400 -0.246 0.000 2.178 3182 D HA -0.161 4.479 4.640 0.000 0.000 0.201 3182 D C 0.978 177.216 176.300 -0.103 0.000 0.980 3182 D CA 1.424 55.375 54.000 -0.083 0.000 0.842 3182 D CB 0.213 41.058 40.800 0.075 0.000 0.948 3182 D HN 0.629 nan 8.370 nan 0.000 0.472 3183 D N -0.181 120.151 120.400 -0.114 0.000 2.363 3183 D HA -0.122 4.518 4.640 0.000 0.000 0.220 3183 D C 1.135 177.375 176.300 -0.101 0.000 0.994 3183 D CA -0.154 53.800 54.000 -0.077 0.000 0.890 3183 D CB -0.287 40.480 40.800 -0.056 0.000 0.906 3183 D HN 0.200 nan 8.370 nan 0.000 0.530 3184 M N 1.046 120.538 119.600 -0.180 0.000 2.226 3184 M HA -0.103 4.377 4.480 0.000 0.000 0.352 3184 M C 0.531 176.774 176.300 -0.095 0.000 1.226 3184 M CA 0.506 55.703 55.300 -0.172 0.000 0.943 3184 M CB 0.666 33.093 32.600 -0.288 0.000 1.805 3184 M HN -0.243 nan 8.290 nan 0.000 0.465 3185 K N 2.349 122.707 120.400 -0.070 0.000 2.583 3185 K HA 0.293 4.613 4.320 0.000 0.000 0.266 3185 K C 0.559 177.131 176.600 -0.046 0.000 1.037 3185 K CA -0.270 55.987 56.287 -0.050 0.000 0.996 3185 K CB 0.611 33.090 32.500 -0.035 0.000 1.307 3185 K HN 0.584 nan 8.250 nan 0.000 0.502 3186 V N 0.357 120.249 119.914 -0.038 0.000 2.426 3186 V HA -0.095 4.025 4.120 0.000 0.000 0.242 3186 V C 1.180 177.281 176.094 0.012 0.000 1.036 3186 V CA 1.777 64.061 62.300 -0.026 0.000 1.044 3186 V CB -0.567 31.237 31.823 -0.032 0.000 0.688 3186 V HN 0.696 nan 8.190 nan 0.000 0.462 3187 D N 0.435 120.845 120.400 0.016 0.000 2.178 3187 D HA -0.164 4.476 4.640 0.000 0.000 0.201 3187 D C 1.776 178.089 176.300 0.021 0.000 0.980 3187 D CA 1.153 55.171 54.000 0.031 0.000 0.842 3187 D CB -0.152 40.662 40.800 0.023 0.000 0.948 3187 D HN 0.359 nan 8.370 nan 0.000 0.472 3188 D N -0.063 120.338 120.400 0.000 0.000 2.178 3188 D HA -0.075 4.565 4.640 0.000 0.000 0.201 3188 D C 1.921 178.223 176.300 0.004 0.000 0.980 3188 D CA 0.894 54.889 54.000 -0.010 0.000 0.842 3188 D CB -0.108 40.670 40.800 -0.037 0.000 0.948 3188 D HN 0.212 nan 8.370 nan 0.000 0.472 3189 A N 0.449 123.278 122.820 0.015 0.000 2.081 3189 A HA -0.007 4.314 4.320 0.000 0.000 0.214 3189 A C 2.058 179.685 177.584 0.072 0.000 1.158 3189 A CA 0.143 52.206 52.037 0.042 0.000 0.724 3189 A CB -0.100 18.925 19.000 0.041 0.000 0.826 3189 A HN 0.066 nan 8.150 nan 0.000 0.463 3190 I N 0.498 121.121 120.570 0.089 0.000 2.226 3190 I HA -0.201 3.970 4.170 0.000 0.000 0.245 3190 I C 2.225 178.419 176.117 0.129 0.000 1.100 3190 I CA 1.399 62.800 61.300 0.168 0.000 1.374 3190 I CB -1.485 36.608 38.000 0.154 0.000 1.057 3190 I HN 0.462 nan 8.210 nan 0.000 0.413 3191 E N 0.836 121.073 120.200 0.061 0.000 2.015 3191 E HA -0.190 4.160 4.350 0.000 0.000 0.191 3191 E C 2.378 179.004 176.600 0.043 0.000 0.991 3191 E CA 0.737 57.155 56.400 0.031 0.000 0.802 3191 E CB -0.236 29.471 29.700 0.012 0.000 0.759 3191 E HN 0.330 nan 8.360 nan 0.000 0.447 3192 L N 0.764 122.015 121.223 0.047 0.000 2.089 3192 L HA -0.295 4.045 4.340 0.000 0.000 0.213 3192 L C 2.351 179.258 176.870 0.062 0.000 1.079 3192 L CA 1.382 56.254 54.840 0.054 0.000 0.758 3192 L CB -0.233 41.868 42.059 0.070 0.000 0.891 3192 L HN 0.147 nan 8.230 nan 0.000 0.433 3193 A N -0.344 122.526 122.820 0.084 0.000 1.855 3193 A HA -0.157 4.163 4.320 0.000 0.000 0.215 3193 A C 2.106 179.749 177.584 0.099 0.000 1.191 3193 A CA 1.471 53.565 52.037 0.094 0.000 0.613 3193 A CB -0.650 18.427 19.000 0.128 0.000 0.829 3193 A HN 0.438 nan 8.150 nan 0.000 0.442 3194 L N -0.851 120.433 121.223 0.102 0.000 1.976 3194 L HA -0.186 4.154 4.340 0.000 0.000 0.209 3194 L C 2.652 179.532 176.870 0.017 0.000 1.071 3194 L CA 1.500 56.362 54.840 0.037 0.000 0.746 3194 L CB -0.617 41.419 42.059 -0.040 0.000 0.890 3194 L HN 0.276 nan 8.230 nan 0.000 0.432 3195 K N 0.166 120.574 120.400 0.014 0.000 2.071 3195 K HA -0.258 4.062 4.320 0.000 0.000 0.217 3195 K C 1.948 178.554 176.600 0.010 0.000 1.054 3195 K CA 2.413 58.705 56.287 0.008 0.000 0.937 3195 K CB -0.649 31.858 32.500 0.012 0.000 0.719 3195 K HN 0.484 nan 8.250 nan 0.000 0.454 3196 T N -1.506 113.059 114.554 0.018 0.000 3.169 3196 T HA 0.074 4.424 4.350 0.000 0.000 0.250 3196 T C 1.216 175.921 174.700 0.008 0.000 1.111 3196 T CA 0.006 62.114 62.100 0.012 0.000 1.010 3196 T CB -0.012 68.865 68.868 0.015 0.000 0.984 3196 T HN -0.020 nan 8.240 nan 0.000 0.537 3197 L N 2.232 123.463 121.223 0.012 0.000 2.728 3197 L HA 0.340 4.680 4.340 0.000 0.000 0.235 3197 L C 2.251 179.121 176.870 -0.000 0.000 1.197 3197 L CA 0.087 54.931 54.840 0.007 0.000 0.992 3197 L CB -0.100 41.970 42.059 0.017 0.000 1.263 3197 L HN 0.444 nan 8.230 nan 0.000 0.484 3198 S N -0.563 115.136 115.700 -0.001 0.000 2.355 3198 S HA -0.221 4.249 4.470 0.000 0.000 0.210 3198 S C 1.954 176.550 174.600 -0.006 0.000 1.035 3198 S CA 1.172 59.369 58.200 -0.005 0.000 1.011 3198 S CB -0.289 62.909 63.200 -0.004 0.000 1.000 3198 S HN 0.424 nan 8.310 nan 0.000 0.423 3199 K N 1.413 121.810 120.400 -0.004 0.000 1.969 3199 K HA -0.159 4.161 4.320 0.000 0.000 0.223 3199 K C 1.375 177.971 176.600 -0.007 0.000 1.048 3199 K CA 2.114 58.397 56.287 -0.006 0.000 0.983 3199 K CB -1.343 31.154 32.500 -0.006 0.000 0.738 3199 K HN 0.629 nan 8.250 nan 0.000 0.446 3200 T N 0.467 115.016 114.554 -0.008 0.000 4.396 3200 T HA -0.002 4.348 4.350 0.000 0.000 0.254 3200 T C -0.534 174.161 174.700 -0.008 0.000 0.810 3200 T CA 0.155 62.248 62.100 -0.010 0.000 1.591 3200 T CB -1.090 67.769 68.868 -0.015 0.000 1.304 3200 T HN 0.205 nan 8.240 nan 0.000 0.650 3201 T N 1.226 115.775 114.554 -0.008 0.000 2.949 3201 T HA 0.283 4.633 4.350 0.000 0.000 0.300 3201 T C 0.001 174.696 174.700 -0.009 0.000 0.988 3201 T CA -0.836 61.259 62.100 -0.009 0.000 0.993 3201 T CB 1.770 70.632 68.868 -0.010 0.000 0.984 3201 T HN 0.069 nan 8.240 nan 0.000 0.442 3202 D N 1.352 121.747 120.400 -0.009 0.000 2.224 3202 D HA -0.019 4.621 4.640 0.000 0.000 0.205 3202 D C 1.176 177.468 176.300 -0.013 0.000 0.965 3202 D CA 0.823 54.817 54.000 -0.009 0.000 0.852 3202 D CB 0.208 41.004 40.800 -0.007 0.000 0.947 3202 D HN 0.469 nan 8.370 nan 0.000 0.494 3203 S N 0.553 116.244 115.700 -0.015 0.000 2.405 3203 S HA 0.141 4.611 4.470 0.000 0.000 0.291 3203 S C 0.024 174.611 174.600 -0.020 0.000 1.137 3203 S CA -0.539 57.649 58.200 -0.020 0.000 1.061 3203 S CB 0.023 63.208 63.200 -0.025 0.000 1.001 3203 S HN -0.090 nan 8.310 nan 0.000 0.507 3204 S N 4.451 120.139 115.700 -0.019 0.000 2.571 3204 S HA 0.440 4.910 4.470 0.000 0.000 0.297 3204 S C 0.332 174.918 174.600 -0.023 0.000 1.234 3204 S CA 0.408 58.597 58.200 -0.018 0.000 1.120 3204 S CB -0.486 62.704 63.200 -0.017 0.000 0.923 3204 S HN 1.720 nan 8.310 nan 0.000 0.504 3205 A N 2.709 125.515 122.820 -0.022 0.000 2.435 3205 A HA -0.100 4.220 4.320 0.000 0.000 0.686 3205 A C -0.792 176.772 177.584 -0.034 0.000 0.138 3205 A CA -0.697 51.325 52.037 -0.026 0.000 0.025 3205 A CB -1.068 17.915 19.000 -0.028 0.000 3.974 3205 A HN 0.761 nan 8.150 nan 0.000 0.548 3206 L N 3.869 125.072 121.223 -0.033 0.000 2.282 3206 L HA 0.783 5.123 4.340 0.000 0.000 0.288 3206 L C 0.903 177.744 176.870 -0.049 0.000 1.033 3206 L CA 1.092 55.910 54.840 -0.037 0.000 0.807 3206 L CB 1.591 43.633 42.059 -0.028 0.000 1.209 3206 L HN 1.204 nan 8.230 nan 0.000 0.423 3207 T N 0.709 115.219 114.554 -0.073 0.000 2.948 3207 T HA 0.258 4.608 4.350 0.000 0.000 0.285 3207 T C 0.932 175.579 174.700 -0.089 0.000 1.019 3207 T CA -0.011 62.015 62.100 -0.123 0.000 1.013 3207 T CB 0.670 69.406 68.868 -0.220 0.000 1.117 3207 T HN 0.558 nan 8.240 nan 0.000 0.533 3208 Y N 0.404 120.683 120.300 -0.034 0.000 2.439 3208 Y HA 0.004 4.554 4.550 0.001 0.000 0.292 3208 Y C 1.711 177.600 175.900 -0.018 0.000 1.130 3208 Y CA 1.061 59.138 58.100 -0.038 0.000 1.254 3208 Y CB -0.528 37.913 38.460 -0.033 0.000 1.000 3208 Y HN 0.624 nan 8.280 nan 0.000 0.554 3209 D N 0.431 120.674 120.400 -0.261 0.000 2.305 3209 D HA -0.086 4.554 4.640 0.000 0.000 0.206 3209 D C 1.455 177.734 176.300 -0.034 0.000 0.974 3209 D CA 0.281 54.222 54.000 -0.098 0.000 0.871 3209 D CB -0.500 40.135 40.800 -0.275 0.000 0.947 3209 D HN 0.374 nan 8.370 nan 0.000 0.516 3210 R N 0.138 120.603 120.500 -0.058 0.000 2.319 3210 R HA 0.281 4.621 4.340 0.000 0.000 0.204 3210 R C 0.286 176.594 176.300 0.013 0.000 0.954 3210 R CA 0.045 56.131 56.100 -0.023 0.000 1.066 3210 R CB 0.368 30.646 30.300 -0.037 0.000 0.991 3210 R HN 0.253 nan 8.270 nan 0.000 0.486 3211 L N -0.226 121.022 121.223 0.042 0.000 2.301 3211 L HA 0.463 4.803 4.340 0.000 0.000 0.264 3211 L C -0.561 176.369 176.870 0.100 0.000 1.016 3211 L CA -0.742 54.139 54.840 0.069 0.000 0.821 3211 L CB 2.489 44.578 42.059 0.050 0.000 1.346 3211 L HN -0.057 nan 8.230 nan 0.000 0.429 3212 E N 0.652 120.931 120.200 0.132 0.000 2.335 3212 E HA 0.504 4.854 4.350 0.000 0.000 0.280 3212 E C -2.030 174.714 176.600 0.240 0.000 0.918 3212 E CA -0.465 56.024 56.400 0.148 0.000 0.765 3212 E CB 2.580 32.325 29.700 0.074 0.000 1.218 3212 E HN 0.297 nan 8.360 nan 0.000 0.425 3213 F N 1.618 121.573 119.950 0.008 0.000 2.643 3213 F HA 0.864 5.391 4.527 0.000 0.000 0.314 3213 F C -1.257 174.613 175.800 0.117 0.000 1.096 3213 F CA -0.206 57.750 58.000 -0.074 0.000 0.953 3213 F CB 2.298 41.049 39.000 -0.415 0.000 1.345 3213 F HN 0.532 nan 8.300 nan 0.000 0.468 3214 A N 1.128 123.886 122.820 -0.103 0.000 2.594 3214 A HA 0.689 5.009 4.320 0.000 0.000 0.296 3214 A C -1.304 176.328 177.584 0.081 0.000 1.061 3214 A CA -0.177 51.953 52.037 0.156 0.000 0.689 3214 A CB 1.433 20.473 19.000 0.068 0.000 1.280 3214 A HN 1.001 nan 8.150 nan 0.000 0.406 3215 T N -0.947 113.761 114.554 0.257 0.000 2.912 3215 T HA 0.731 5.081 4.350 0.000 0.000 0.299 3215 T C -0.910 173.886 174.700 0.160 0.000 1.052 3215 T CA -0.459 61.756 62.100 0.191 0.000 0.996 3215 T CB 1.054 70.104 68.868 0.303 0.000 1.070 3215 T HN 0.696 nan 8.240 nan 0.000 0.465 3216 I N 3.285 123.933 120.570 0.129 0.000 2.502 3216 I HA 0.392 4.562 4.170 0.000 0.000 0.276 3216 I C 0.495 176.699 176.117 0.146 0.000 1.057 3216 I CA -0.880 60.527 61.300 0.178 0.000 1.163 3216 I CB 0.905 39.051 38.000 0.244 0.000 1.288 3216 I HN 0.509 nan 8.210 nan 0.000 0.479 3217 R N 3.481 124.066 120.500 0.141 0.000 2.705 3217 R HA 0.454 4.794 4.340 0.000 0.000 0.246 3217 R C 0.124 176.507 176.300 0.138 0.000 1.142 3217 R CA -1.091 55.050 56.100 0.069 0.000 1.114 3217 R CB 1.134 31.464 30.300 0.051 0.000 1.256 3217 R HN 0.196 nan 8.270 nan 0.000 0.536 3218 K N 0.440 120.893 120.400 0.087 0.000 3.025 3218 K HA 0.103 4.423 4.320 0.000 0.000 0.260 3218 K C -0.205 176.441 176.600 0.077 0.000 1.023 3218 K CA 0.516 56.864 56.287 0.100 0.000 1.194 3218 K CB -0.499 32.041 32.500 0.067 0.000 1.094 3218 K HN 0.823 nan 8.250 nan 0.000 0.460 3219 G N -0.579 108.290 108.800 0.116 0.000 2.731 3219 G HA2 -0.207 3.754 3.960 0.000 0.000 0.686 3219 G HA3 -0.207 3.754 3.960 0.000 0.000 0.686 3219 G C 0.272 175.121 174.900 -0.085 0.000 1.395 3219 G CA -0.537 44.645 45.100 0.137 0.000 0.870 3219 G HN 0.270 nan 8.290 nan 0.000 0.591 3220 A N 0.757 123.332 122.820 -0.409 0.000 2.276 3220 A HA 0.405 4.725 4.320 0.000 0.000 0.212 3220 A C 1.411 178.865 177.584 -0.217 0.000 1.230 3220 A CA 1.656 53.440 52.037 -0.421 0.000 0.844 3220 A CB -0.305 18.247 19.000 -0.746 0.000 0.860 3220 A HN 0.856 nan 8.150 nan 0.000 0.486 3221 N N -1.997 116.644 118.700 -0.099 0.000 2.951 3221 N HA 0.048 4.788 4.740 0.000 0.000 0.319 3221 N C -0.382 175.134 175.510 0.010 0.000 0.803 3221 N CA 0.355 53.388 53.050 -0.027 0.000 1.448 3221 N CB 0.512 39.007 38.487 0.013 0.000 1.136 3221 N HN 0.361 nan 8.380 nan 0.000 1.433 3222 D N -0.612 119.814 120.400 0.044 0.000 2.466 3222 D HA 0.333 4.973 4.640 0.000 0.000 0.271 3222 D C 0.238 176.564 176.300 0.043 0.000 1.193 3222 D CA -0.563 53.463 54.000 0.044 0.000 1.103 3222 D CB 0.090 40.925 40.800 0.057 0.000 1.184 3222 D HN 0.198 nan 8.370 nan 0.000 0.593 3223 G N -0.555 108.271 108.800 0.043 0.000 3.286 3223 G HA2 0.424 4.384 3.960 0.000 0.000 0.303 3223 G HA3 0.424 4.384 3.960 0.000 0.000 0.303 3223 G C -0.475 174.454 174.900 0.048 0.000 0.974 3223 G CA -0.128 44.996 45.100 0.039 0.000 1.635 3223 G HN 0.311 nan 8.290 nan 0.000 0.535 3224 E N 0.323 120.557 120.200 0.058 0.000 2.151 3224 E HA 0.568 4.918 4.350 0.000 0.000 0.197 3224 E C -1.502 175.141 176.600 0.072 0.000 1.085 3224 E CA -0.629 55.814 56.400 0.071 0.000 0.873 3224 E CB 1.761 31.518 29.700 0.095 0.000 2.021 3224 E HN 0.038 nan 8.360 nan 0.000 0.468 3225 V N 1.941 121.923 119.914 0.112 0.000 2.498 3225 V HA 0.313 4.433 4.120 0.000 0.000 0.283 3225 V C -1.452 174.737 176.094 0.158 0.000 1.015 3225 V CA -0.544 61.835 62.300 0.132 0.000 0.867 3225 V CB 0.796 32.688 31.823 0.115 0.000 1.025 3225 V HN 0.504 nan 8.190 nan 0.000 0.441 3226 Y N 2.829 123.165 120.300 0.060 0.000 2.304 3226 Y HA 0.473 5.023 4.550 -0.000 0.000 0.327 3226 Y C 0.586 176.526 175.900 0.067 0.000 1.209 3226 Y CA 0.388 58.518 58.100 0.051 0.000 1.299 3226 Y CB 1.202 39.680 38.460 0.030 0.000 1.249 3226 Y HN 0.529 nan 8.280 nan 0.000 0.519 3227 Q N 3.183 123.074 119.800 0.151 0.000 2.365 3227 Q HA 0.414 4.754 4.340 0.000 0.000 0.269 3227 Q C -1.488 174.587 176.000 0.126 0.000 1.061 3227 Q CA -1.050 54.834 55.803 0.136 0.000 0.816 3227 Q CB 1.673 30.466 28.738 0.091 0.000 1.325 3227 Q HN 0.623 nan 8.270 nan 0.000 0.446 3228 K N 4.553 125.025 120.400 0.119 0.000 2.740 3228 K HA 0.354 4.675 4.320 0.000 0.000 0.246 3228 K C -1.329 175.336 176.600 0.109 0.000 1.021 3228 K CA -0.264 56.057 56.287 0.058 0.000 1.021 3228 K CB 0.787 33.272 32.500 -0.025 0.000 1.233 3228 K HN 0.623 nan 8.250 nan 0.000 0.497 3229 I N 4.592 125.221 120.570 0.099 0.000 2.396 3229 I HA 0.155 4.325 4.170 0.000 0.000 0.289 3229 I C -0.052 176.165 176.117 0.167 0.000 1.056 3229 I CA -0.552 60.854 61.300 0.176 0.000 1.365 3229 I CB 0.272 38.339 38.000 0.112 0.000 1.407 3229 I HN 0.386 nan 8.210 nan 0.000 0.509 3230 F N 6.478 126.496 119.950 0.114 0.000 2.543 3230 F HA 0.101 4.629 4.527 0.001 0.000 0.375 3230 F C 0.958 176.794 175.800 0.059 0.000 1.075 3230 F CA 0.048 58.110 58.000 0.104 0.000 1.225 3230 F CB 0.146 39.243 39.000 0.161 0.000 1.099 3230 F HN 0.336 nan 8.300 nan 0.000 0.561 3231 K N 5.810 126.277 120.400 0.112 0.000 2.237 3231 K HA 0.134 4.454 4.320 0.000 0.000 0.270 3231 K C -1.611 175.031 176.600 0.070 0.000 1.015 3231 K CA -1.315 55.011 56.287 0.066 0.000 0.949 3231 K CB 0.447 32.949 32.500 0.004 0.000 0.976 3231 K HN 0.237 nan 8.250 nan 0.000 0.472 3232 P HA -0.303 nan 4.420 nan 0.000 0.217 3232 P C 1.222 178.406 177.300 -0.192 0.000 1.162 3232 P CA 1.427 64.502 63.100 -0.042 0.000 0.901 3232 P CB 0.233 31.901 31.700 -0.054 0.000 0.793 3233 Q N 0.459 120.147 119.800 -0.187 0.000 2.112 3233 Q HA -0.227 4.113 4.340 0.000 0.000 0.206 3233 Q C 1.939 177.878 176.000 -0.102 0.000 0.987 3233 Q CA 1.952 57.634 55.803 -0.201 0.000 0.858 3233 Q CB -1.008 27.652 28.738 -0.130 0.000 0.905 3233 Q HN 0.343 nan 8.270 nan 0.000 0.420 3234 E N -0.517 119.679 120.200 -0.006 0.000 2.204 3234 E HA -0.132 4.218 4.350 0.000 0.000 0.195 3234 E C 1.924 178.626 176.600 0.170 0.000 0.990 3234 E CA 1.069 57.530 56.400 0.101 0.000 0.821 3234 E CB -0.119 29.655 29.700 0.123 0.000 0.750 3234 E HN 0.483 nan 8.360 nan 0.000 0.477 3235 I N 1.090 121.713 120.570 0.088 0.000 2.193 3235 I HA -0.203 3.967 4.170 0.000 0.000 0.240 3235 I C 2.510 178.583 176.117 -0.073 0.000 1.084 3235 I CA 0.760 62.029 61.300 -0.053 0.000 1.365 3235 I CB -0.260 37.719 38.000 -0.034 0.000 1.064 3235 I HN -0.052 nan 8.210 nan 0.000 0.410 3236 K N 0.965 121.319 120.400 -0.077 0.000 2.442 3236 K HA -0.215 4.106 4.320 0.000 0.000 0.199 3236 K C 1.037 177.613 176.600 -0.040 0.000 1.044 3236 K CA 1.455 57.718 56.287 -0.039 0.000 0.941 3236 K CB -0.148 32.242 32.500 -0.184 0.000 0.759 3236 K HN 0.316 nan 8.250 nan 0.000 0.472 3237 D N 0.066 120.439 120.400 -0.045 0.000 2.201 3237 D HA -0.049 4.591 4.640 0.000 0.000 0.209 3237 D C 1.682 177.966 176.300 -0.027 0.000 0.961 3237 D CA 0.510 54.495 54.000 -0.024 0.000 0.861 3237 D CB 0.077 40.874 40.800 -0.005 0.000 0.997 3237 D HN 0.153 nan 8.370 nan 0.000 0.486 3238 I N 0.273 120.812 120.570 -0.052 0.000 3.030 3238 I HA -0.053 4.117 4.170 0.000 0.000 0.270 3238 I C 1.773 177.813 176.117 -0.128 0.000 1.211 3238 I CA 0.352 61.595 61.300 -0.094 0.000 1.479 3238 I CB 0.215 38.121 38.000 -0.157 0.000 1.105 3238 I HN -0.130 nan 8.210 nan 0.000 0.447 3239 L N -0.411 120.736 121.223 -0.127 0.000 2.131 3239 L HA -0.156 4.184 4.340 0.000 0.000 0.210 3239 L C 2.453 179.293 176.870 -0.049 0.000 1.092 3239 L CA 1.426 56.211 54.840 -0.092 0.000 0.759 3239 L CB -0.632 41.399 42.059 -0.046 0.000 0.903 3239 L HN 0.060 nan 8.230 nan 0.000 0.435 3240 V N -0.866 119.027 119.914 -0.035 0.000 2.453 3240 V HA -0.347 3.773 4.120 0.000 0.000 0.252 3240 V C 2.541 178.622 176.094 -0.022 0.000 1.068 3240 V CA 1.560 63.848 62.300 -0.020 0.000 1.070 3240 V CB -0.408 31.406 31.823 -0.015 0.000 0.664 3240 V HN 0.396 nan 8.190 nan 0.000 0.461 3241 K N -0.649 119.733 120.400 -0.031 0.000 2.211 3241 K HA -0.107 4.213 4.320 0.000 0.000 0.204 3241 K C 1.555 178.141 176.600 -0.023 0.000 1.047 3241 K CA 1.989 58.261 56.287 -0.025 0.000 0.935 3241 K CB -0.114 32.369 32.500 -0.029 0.000 0.728 3241 K HN 0.684 nan 8.250 nan 0.000 0.452 3242 T N -4.011 110.526 114.554 -0.027 0.000 3.759 3242 T HA 0.111 4.461 4.350 0.000 0.000 0.245 3242 T C 1.460 176.147 174.700 -0.022 0.000 0.867 3242 T CA -0.052 62.036 62.100 -0.021 0.000 1.116 3242 T CB -1.161 67.696 68.868 -0.018 0.000 1.028 3242 T HN 0.127 nan 8.240 nan 0.000 0.381 3243 G N 3.293 112.075 108.800 -0.029 0.000 3.665 3243 G HA2 -0.246 3.714 3.960 0.000 0.000 0.251 3243 G HA3 -0.246 3.714 3.960 0.000 0.000 0.251 3243 G C 0.332 175.221 174.900 -0.020 0.000 0.940 3243 G CA 1.526 46.610 45.100 -0.028 0.000 0.741 3243 G HN 0.607 nan 8.290 nan 0.000 1.302 3244 I N 0.363 120.924 120.570 -0.016 0.000 2.846 3244 I HA 0.547 4.718 4.170 0.000 0.000 0.307 3244 I C 0.202 176.319 176.117 0.001 0.000 1.053 3244 I CA -0.387 60.909 61.300 -0.007 0.000 1.050 3244 I CB 2.529 40.526 38.000 -0.005 0.000 1.239 3244 I HN 0.565 nan 8.210 nan 0.000 0.439 3245 T N 0.000 114.556 114.554 0.004 0.000 3.816 3245 T HA 0.000 4.350 4.350 0.000 0.000 0.228 3245 T CA 0.000 62.103 62.100 0.005 0.000 1.349 3245 T CB 0.000 68.867 68.868 -0.001 0.000 0.612 3245 T HN 0.000 nan 8.240 nan 0.000 0.658