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 3l5q_1_T 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 0.000 174.642 174.600 0.070 0.000 1.055 3014 S CA 0.000 58.269 58.200 0.115 0.000 1.107 3014 S CB 0.000 63.216 63.200 0.027 0.000 0.593 3015 P HA -0.238 nan 4.420 nan 0.000 0.224 3015 P C 0.771 178.107 177.300 0.060 0.000 1.130 3015 P CA 1.886 65.067 63.100 0.135 0.000 0.976 3015 P CB 0.119 31.968 31.700 0.248 0.000 0.781 3016 E N -2.922 117.293 120.200 0.024 0.000 2.501 3016 E HA 0.401 4.751 4.350 0.000 0.000 0.200 3016 E C 0.707 177.289 176.600 -0.030 0.000 1.016 3016 E CA 0.421 56.822 56.400 0.002 0.000 0.921 3016 E CB 0.219 29.925 29.700 0.009 0.000 1.034 3016 E HN 0.293 nan 8.360 nan 0.000 0.468 3017 G N 1.811 110.581 108.800 -0.050 0.000 2.173 3017 G HA2 -0.229 3.731 3.960 0.000 0.000 0.174 3017 G HA3 -0.229 3.731 3.960 0.000 0.000 0.174 3017 G C -0.257 174.575 174.900 -0.114 0.000 1.025 3017 G CA -0.634 44.430 45.100 -0.061 0.000 0.706 3017 G HN 0.066 nan 8.290 nan 0.000 0.499 3018 R N -0.242 120.136 120.500 -0.203 0.000 2.589 3018 R HA 0.609 4.949 4.340 0.000 0.000 0.293 3018 R C 0.816 176.899 176.300 -0.361 0.000 0.963 3018 R CA -0.952 54.926 56.100 -0.369 0.000 0.905 3018 R CB 1.108 30.974 30.300 -0.724 0.000 1.144 3018 R HN 0.386 nan 8.270 nan 0.000 0.459 3019 L N 1.019 122.089 121.223 -0.255 0.000 2.397 3019 L HA 0.330 4.670 4.340 0.000 0.000 0.263 3019 L C 0.064 176.899 176.870 -0.058 0.000 1.136 3019 L CA -0.629 54.144 54.840 -0.112 0.000 1.019 3019 L CB -0.164 41.874 42.059 -0.035 0.000 1.352 3019 L HN 0.609 nan 8.230 nan 0.000 0.420 3020 Y N 0.816 121.150 120.300 0.057 0.000 2.060 3020 Y HA -0.178 4.372 4.550 0.000 0.000 0.276 3020 Y C 2.536 178.500 175.900 0.107 0.000 1.127 3020 Y CA 1.506 59.667 58.100 0.101 0.000 1.104 3020 Y CB -0.259 38.244 38.460 0.072 0.000 0.983 3020 Y HN 0.606 nan 8.280 nan 0.000 0.483 3021 Q N -0.344 119.530 119.800 0.123 0.000 2.449 3021 Q HA -0.162 4.178 4.340 0.000 0.000 0.214 3021 Q C 2.179 178.243 176.000 0.107 0.000 0.986 3021 Q CA 1.235 57.023 55.803 -0.025 0.000 0.893 3021 Q CB -0.298 28.399 28.738 -0.067 0.000 0.940 3021 Q HN 0.367 nan 8.270 nan 0.000 0.477 3022 V N 0.317 120.313 119.914 0.137 0.000 2.374 3022 V HA -0.173 3.947 4.120 0.000 0.000 0.241 3022 V C 1.869 178.047 176.094 0.140 0.000 1.034 3022 V CA 1.306 63.679 62.300 0.120 0.000 1.037 3022 V CB -0.183 31.690 31.823 0.083 0.000 0.682 3022 V HN 0.306 nan 8.190 nan 0.000 0.463 3023 E N -0.699 119.593 120.200 0.155 0.000 2.130 3023 E HA -0.282 4.068 4.350 0.000 0.000 0.196 3023 E C 2.099 178.790 176.600 0.151 0.000 0.998 3023 E CA 1.815 58.293 56.400 0.130 0.000 0.806 3023 E CB -0.277 29.504 29.700 0.135 0.000 0.738 3023 E HN 0.638 nan 8.360 nan 0.000 0.459 3024 Y N 0.583 120.920 120.300 0.062 0.000 2.069 3024 Y HA -0.296 4.254 4.550 0.000 0.000 0.278 3024 Y C 2.416 178.326 175.900 0.017 0.000 1.175 3024 Y CA 1.725 59.851 58.100 0.044 0.000 1.134 3024 Y CB -0.408 38.081 38.460 0.049 0.000 0.965 3024 Y HN 0.058 nan 8.280 nan 0.000 0.498 3025 A N -1.257 121.674 122.820 0.185 0.000 2.030 3025 A HA 0.012 4.332 4.320 0.000 0.000 0.215 3025 A C 2.165 179.772 177.584 0.040 0.000 1.164 3025 A CA 0.455 52.548 52.037 0.094 0.000 0.697 3025 A CB -0.773 18.277 19.000 0.083 0.000 0.827 3025 A HN 0.494 nan 8.150 nan 0.000 0.457 3026 L N -0.786 120.462 121.223 0.041 0.000 2.201 3026 L HA -0.113 4.227 4.340 0.000 0.000 0.212 3026 L C 2.333 179.177 176.870 -0.043 0.000 1.105 3026 L CA 1.668 56.511 54.840 0.005 0.000 0.775 3026 L CB -0.009 42.062 42.059 0.020 0.000 0.913 3026 L HN 0.555 nan 8.230 nan 0.000 0.440 3027 E N -1.695 118.466 120.200 -0.065 0.000 2.415 3027 E HA -0.119 4.231 4.350 0.000 0.000 0.197 3027 E C 2.035 178.484 176.600 -0.253 0.000 1.007 3027 E CA 0.408 56.713 56.400 -0.159 0.000 0.890 3027 E CB 0.417 30.022 29.700 -0.158 0.000 0.891 3027 E HN 0.293 nan 8.360 nan 0.000 0.496 3028 S N 0.194 115.826 115.700 -0.115 0.000 2.474 3028 S HA -0.034 4.437 4.470 0.000 0.000 0.235 3028 S C 1.806 176.386 174.600 -0.033 0.000 0.997 3028 S CA 0.405 58.584 58.200 -0.035 0.000 0.949 3028 S CB -0.085 63.142 63.200 0.046 0.000 0.766 3028 S HN 0.297 nan 8.310 nan 0.000 0.517 3029 I N 1.665 122.194 120.570 -0.068 0.000 2.333 3029 I HA -0.091 4.079 4.170 0.000 0.000 0.246 3029 I C 2.361 178.435 176.117 -0.071 0.000 1.106 3029 I CA 1.178 62.445 61.300 -0.055 0.000 1.411 3029 I CB -0.324 37.639 38.000 -0.061 0.000 1.082 3029 I HN 0.418 nan 8.210 nan 0.000 0.420 3030 S N -0.364 115.253 115.700 -0.138 0.000 2.584 3030 S HA -0.141 4.329 4.470 0.000 0.000 0.240 3030 S C 1.514 176.051 174.600 -0.106 0.000 0.975 3030 S CA 0.697 58.814 58.200 -0.138 0.000 0.949 3030 S CB -0.603 62.494 63.200 -0.171 0.000 0.761 3030 S HN 0.444 nan 8.310 nan 0.000 0.536 3031 H N 2.015 121.070 119.070 -0.025 0.000 2.283 3031 H HA 0.529 5.085 4.556 0.000 0.000 0.320 3031 H C 1.560 176.877 175.328 -0.019 0.000 1.074 3031 H CA 0.417 56.452 56.048 -0.022 0.000 1.476 3031 H CB -1.105 28.645 29.762 -0.020 0.000 1.465 3031 H HN 0.514 nan 8.280 nan 0.000 0.573 3032 A N 0.814 123.710 122.820 0.128 0.000 2.448 3032 A HA 0.428 4.748 4.320 0.000 0.000 0.239 3032 A C 0.950 178.551 177.584 0.029 0.000 1.080 3032 A CA 0.527 52.600 52.037 0.059 0.000 0.779 3032 A CB -0.739 18.288 19.000 0.044 0.000 1.026 3032 A HN 0.714 nan 8.150 nan 0.000 0.499 3033 G N -0.379 108.433 108.800 0.020 0.000 2.977 3033 G HA2 0.113 4.073 3.960 0.000 0.000 0.308 3033 G HA3 0.113 4.073 3.960 0.000 0.000 0.308 3033 G C -0.053 174.847 174.900 -0.000 0.000 1.491 3033 G CA 0.223 45.329 45.100 0.010 0.000 0.971 3033 G HN 1.716 nan 8.290 nan 0.000 0.557 3034 T N 0.303 114.855 114.554 -0.005 0.000 3.483 3034 T HA 0.700 5.050 4.350 0.000 0.000 0.329 3034 T C 0.020 174.710 174.700 -0.017 0.000 1.014 3034 T CA 0.640 62.730 62.100 -0.016 0.000 1.056 3034 T CB 1.046 69.906 68.868 -0.012 0.000 1.090 3034 T HN 1.979 nan 8.240 nan 0.000 0.460 3035 A N 3.904 126.703 122.820 -0.035 0.000 2.413 3035 A HA 0.995 5.315 4.320 0.000 0.000 0.307 3035 A C -1.164 176.383 177.584 -0.063 0.000 1.087 3035 A CA -0.676 51.338 52.037 -0.038 0.000 0.750 3035 A CB 1.196 20.176 19.000 -0.034 0.000 1.296 3035 A HN 0.783 nan 8.150 nan 0.000 0.423 3036 I N 0.464 120.997 120.570 -0.062 0.000 2.686 3036 I HA 0.602 4.772 4.170 0.000 0.000 0.295 3036 I C 0.129 176.194 176.117 -0.087 0.000 1.114 3036 I CA -0.597 60.656 61.300 -0.078 0.000 1.038 3036 I CB 2.720 40.691 38.000 -0.047 0.000 1.238 3036 I HN 0.823 nan 8.210 nan 0.000 0.420 3037 G N 6.314 115.061 108.800 -0.088 0.000 2.687 3037 G HA2 0.764 4.724 3.960 0.000 0.000 0.301 3037 G HA3 0.764 4.724 3.960 0.000 0.000 0.301 3037 G C -1.271 173.608 174.900 -0.034 0.000 1.416 3037 G CA -0.308 44.757 45.100 -0.059 0.000 1.005 3037 G HN 0.424 nan 8.290 nan 0.000 0.509 3038 I N 2.548 123.114 120.570 -0.007 0.000 2.439 3038 I HA 0.319 4.489 4.170 0.000 0.000 0.285 3038 I C -0.112 176.051 176.117 0.077 0.000 1.021 3038 I CA -0.636 60.694 61.300 0.050 0.000 1.091 3038 I CB 2.313 40.364 38.000 0.085 0.000 1.242 3038 I HN 0.320 nan 8.210 nan 0.000 0.439 3039 M N 6.161 125.829 119.600 0.113 0.000 2.077 3039 M HA 0.538 5.018 4.480 0.000 0.000 0.348 3039 M C 0.082 176.480 176.300 0.163 0.000 1.252 3039 M CA -0.133 55.235 55.300 0.114 0.000 1.096 3039 M CB 0.864 33.538 32.600 0.122 0.000 1.568 3039 M HN 0.798 nan 8.290 nan 0.000 0.456 3040 A N 3.094 125.942 122.820 0.046 0.000 2.249 3040 A HA 0.403 4.723 4.320 0.000 0.000 0.281 3040 A C 1.043 178.614 177.584 -0.021 0.000 1.127 3040 A CA 0.117 52.158 52.037 0.006 0.000 0.833 3040 A CB 0.195 19.160 19.000 -0.059 0.000 1.140 3040 A HN 0.950 nan 8.150 nan 0.000 0.502 3041 S N -0.721 114.962 115.700 -0.028 0.000 2.436 3041 S HA -0.067 4.403 4.470 0.000 0.000 0.228 3041 S C 0.344 174.927 174.600 -0.029 0.000 1.014 3041 S CA 1.228 59.430 58.200 0.005 0.000 0.950 3041 S CB -0.252 62.954 63.200 0.010 0.000 0.784 3041 S HN 0.771 nan 8.310 nan 0.000 0.504 3042 D N -0.330 119.987 120.400 -0.138 0.000 2.740 3042 D HA 0.520 5.160 4.640 0.000 0.000 0.301 3042 D C 0.362 176.358 176.300 -0.508 0.000 1.408 3042 D CA -0.132 53.749 54.000 -0.197 0.000 0.808 3042 D CB 0.272 41.038 40.800 -0.058 0.000 1.128 3042 D HN 0.500 nan 8.370 nan 0.000 0.465 3043 G N -0.631 107.693 108.800 -0.794 0.000 2.356 3043 G HA2 0.502 4.462 3.960 0.000 0.000 0.294 3043 G HA3 0.502 4.462 3.960 0.000 0.000 0.294 3043 G C -1.876 172.739 174.900 -0.475 0.000 1.423 3043 G CA -0.924 43.727 45.100 -0.748 0.000 0.806 3043 G HN 0.097 nan 8.290 nan 0.000 0.527 3044 I N -0.577 119.858 120.570 -0.224 0.000 2.865 3044 I HA 0.642 4.812 4.170 0.000 0.000 0.302 3044 I C -0.682 175.413 176.117 -0.037 0.000 1.140 3044 I CA -1.272 59.995 61.300 -0.056 0.000 1.021 3044 I CB 2.571 40.612 38.000 0.068 0.000 1.233 3044 I HN 0.321 nan 8.210 nan 0.000 0.427 3045 V N 5.264 125.146 119.914 -0.054 0.000 2.709 3045 V HA 0.537 4.657 4.120 0.000 0.000 0.308 3045 V C -0.474 175.495 176.094 -0.209 0.000 1.062 3045 V CA -0.563 61.643 62.300 -0.157 0.000 0.901 3045 V CB 2.364 34.091 31.823 -0.160 0.000 1.003 3045 V HN 0.446 nan 8.190 nan 0.000 0.425 3046 L N 3.124 124.137 121.223 -0.351 0.000 2.341 3046 L HA 1.013 5.353 4.340 0.000 0.000 0.267 3046 L C -0.211 176.352 176.870 -0.512 0.000 1.009 3046 L CA -0.661 54.001 54.840 -0.296 0.000 0.819 3046 L CB 2.229 44.203 42.059 -0.143 0.000 1.323 3046 L HN 0.856 nan 8.230 nan 0.000 0.425 3047 A N 1.821 124.485 122.820 -0.259 0.000 2.594 3047 A HA 0.888 5.208 4.320 0.000 0.000 0.296 3047 A C -1.663 175.919 177.584 -0.003 0.000 1.061 3047 A CA -0.125 51.840 52.037 -0.121 0.000 0.689 3047 A CB 1.882 20.866 19.000 -0.025 0.000 1.280 3047 A HN 0.863 nan 8.150 nan 0.000 0.406 3048 A N 0.926 123.780 122.820 0.057 0.000 2.594 3048 A HA 0.780 5.100 4.320 0.000 0.000 0.295 3048 A C -0.851 176.761 177.584 0.047 0.000 1.071 3048 A CA -0.411 51.649 52.037 0.037 0.000 0.685 3048 A CB 1.175 20.189 19.000 0.024 0.000 1.285 3048 A HN 0.788 nan 8.150 nan 0.000 0.405 3049 E N 0.677 120.894 120.200 0.028 0.000 2.277 3049 E HA 0.394 4.744 4.350 0.000 0.000 0.274 3049 E C -0.421 176.190 176.600 0.018 0.000 1.022 3049 E CA -0.585 55.828 56.400 0.020 0.000 0.853 3049 E CB 1.089 30.795 29.700 0.010 0.000 1.086 3049 E HN 0.519 nan 8.360 nan 0.000 0.397 3050 R N 2.265 122.773 120.500 0.014 0.000 2.428 3050 R HA 0.233 4.573 4.340 0.000 0.000 0.294 3050 R C 0.054 176.359 176.300 0.008 0.000 1.000 3050 R CA -0.572 55.536 56.100 0.013 0.000 0.960 3050 R CB 1.145 31.453 30.300 0.014 0.000 1.076 3050 R HN 0.384 nan 8.270 nan 0.000 0.475 3051 K N 0.661 121.069 120.400 0.012 0.000 2.402 3051 K HA -0.027 4.293 4.320 0.000 0.000 0.265 3051 K C -0.042 176.559 176.600 0.002 0.000 0.978 3051 K CA -0.104 56.188 56.287 0.009 0.000 0.913 3051 K CB 0.265 32.774 32.500 0.015 0.000 0.954 3051 K HN 0.231 nan 8.250 nan 0.000 0.511 3052 V N 2.984 122.896 119.914 -0.002 0.000 2.546 3052 V HA -0.098 4.022 4.120 0.000 0.000 0.279 3052 V C 0.176 176.266 176.094 -0.007 0.000 0.968 3052 V CA 0.805 63.100 62.300 -0.008 0.000 1.157 3052 V CB -0.896 30.920 31.823 -0.012 0.000 0.938 3052 V HN 0.658 nan 8.190 nan 0.000 0.464 3053 T N 4.561 119.109 114.554 -0.010 0.000 2.845 3053 T HA 0.343 4.693 4.350 0.000 0.000 0.288 3053 T C 0.316 175.009 174.700 -0.012 0.000 0.980 3053 T CA -0.266 61.828 62.100 -0.009 0.000 1.071 3053 T CB 1.508 70.368 68.868 -0.014 0.000 0.941 3053 T HN 0.733 nan 8.240 nan 0.000 0.487 3054 S N 1.520 117.216 115.700 -0.007 0.000 2.646 3054 S HA 0.198 4.668 4.470 0.000 0.000 0.276 3054 S C 1.629 176.224 174.600 -0.008 0.000 1.222 3054 S CA -0.594 57.601 58.200 -0.007 0.000 1.014 3054 S CB 0.636 63.834 63.200 -0.003 0.000 0.991 3054 S HN 0.691 nan 8.310 nan 0.000 0.533 3055 T N 3.643 118.192 114.554 -0.010 0.000 2.737 3055 T HA -0.106 4.244 4.350 0.000 0.000 0.269 3055 T C 1.326 176.024 174.700 -0.003 0.000 1.040 3055 T CA 1.328 63.422 62.100 -0.010 0.000 1.142 3055 T CB -0.255 68.608 68.868 -0.008 0.000 0.861 3055 T HN 0.421 nan 8.240 nan 0.000 0.456 3056 L N -0.109 121.114 121.223 0.001 0.000 2.529 3056 L HA 0.403 4.743 4.340 0.000 0.000 0.223 3056 L C 0.653 177.529 176.870 0.009 0.000 1.113 3056 L CA 0.287 55.130 54.840 0.005 0.000 0.861 3056 L CB -0.865 41.197 42.059 0.005 0.000 1.012 3056 L HN 0.267 nan 8.230 nan 0.000 0.461 3057 L N 0.721 121.949 121.223 0.008 0.000 2.490 3057 L HA -0.043 4.297 4.340 0.000 0.000 0.274 3057 L C 0.618 177.498 176.870 0.017 0.000 1.201 3057 L CA -0.011 54.836 54.840 0.012 0.000 0.869 3057 L CB 0.484 42.549 42.059 0.010 0.000 1.123 3057 L HN 0.080 nan 8.230 nan 0.000 0.484 3058 E N 3.500 123.713 120.200 0.022 0.000 2.104 3058 E HA -0.030 4.320 4.350 0.000 0.000 0.278 3058 E C 0.687 177.307 176.600 0.033 0.000 1.127 3058 E CA 0.228 56.645 56.400 0.027 0.000 0.897 3058 E CB 0.758 30.474 29.700 0.027 0.000 1.043 3058 E HN 0.481 nan 8.360 nan 0.000 0.410 3059 Q N 3.546 123.370 119.800 0.040 0.000 1.927 3059 Q HA -0.196 4.144 4.340 0.000 0.000 0.210 3059 Q C -0.085 175.948 176.000 0.054 0.000 1.001 3059 Q CA 1.638 57.472 55.803 0.052 0.000 0.862 3059 Q CB -0.152 28.634 28.738 0.079 0.000 0.934 3059 Q HN 0.587 nan 8.270 nan 0.000 0.420 3060 D N -0.099 120.337 120.400 0.060 0.000 2.359 3060 D HA 0.093 4.733 4.640 0.000 0.000 0.250 3060 D C -0.426 175.896 176.300 0.038 0.000 1.264 3060 D CA 0.575 54.605 54.000 0.051 0.000 0.911 3060 D CB 0.473 41.302 40.800 0.049 0.000 1.056 3060 D HN 0.328 nan 8.370 nan 0.000 0.499 3061 T N 0.790 115.364 114.554 0.033 0.000 3.776 3061 T HA -0.088 4.262 4.350 0.000 0.000 0.210 3061 T C 1.624 176.338 174.700 0.023 0.000 0.630 3061 T CA 0.316 62.433 62.100 0.029 0.000 1.026 3061 T CB -0.904 67.983 68.868 0.032 0.000 0.776 3061 T HN 0.242 nan 8.240 nan 0.000 0.330 3062 S N 1.665 117.378 115.700 0.022 0.000 2.420 3062 S HA -0.234 4.236 4.470 0.000 0.000 0.278 3062 S C 0.770 175.350 174.600 -0.033 0.000 1.111 3062 S CA 2.637 60.844 58.200 0.012 0.000 1.315 3062 S CB -1.194 62.012 63.200 0.010 0.000 1.226 3062 S HN 1.076 nan 8.310 nan 0.000 0.444 3063 T N 1.761 116.282 114.554 -0.055 0.000 3.287 3063 T HA -0.200 4.151 4.350 0.000 0.000 0.428 3063 T C 0.502 175.017 174.700 -0.308 0.000 0.770 3063 T CA 1.089 63.105 62.100 -0.140 0.000 2.165 3063 T CB -1.686 67.105 68.868 -0.130 0.000 1.677 3063 T HN 0.865 nan 8.240 nan 0.000 0.633 3064 E N 0.667 120.756 120.200 -0.186 0.000 2.250 3064 E HA 0.078 4.428 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 0.338 56.670 56.400 -0.113 0.000 0.849 3064 E CB 0.139 29.844 29.700 0.008 0.000 0.797 3064 E HN 0.588 nan 8.360 nan 0.000 0.482 3065 K N -0.036 120.270 120.400 -0.157 0.000 2.501 3065 K HA 0.263 4.583 4.320 0.000 0.000 0.204 3065 K C -1.021 175.549 176.600 -0.050 0.000 1.067 3065 K CA -0.280 55.997 56.287 -0.017 0.000 1.060 3065 K CB 1.080 33.603 32.500 0.038 0.000 0.873 3065 K HN -0.031 nan 8.250 nan 0.000 0.540 3066 L N 1.388 122.463 121.223 -0.247 0.000 2.415 3066 L HA 0.400 4.740 4.340 0.000 0.000 0.268 3066 L C -1.634 175.092 176.870 -0.241 0.000 0.984 3066 L CA -0.654 54.110 54.840 -0.127 0.000 0.853 3066 L CB 0.647 42.675 42.059 -0.051 0.000 1.215 3066 L HN -0.001 nan 8.230 nan 0.000 0.419 3067 Y N 2.668 123.004 120.300 0.059 0.000 2.409 3067 Y HA 0.470 5.020 4.550 0.000 0.000 0.339 3067 Y C 0.391 176.311 175.900 0.033 0.000 1.033 3067 Y CA -0.596 57.533 58.100 0.047 0.000 1.094 3067 Y CB 1.930 40.417 38.460 0.045 0.000 1.210 3067 Y HN 0.354 nan 8.280 nan 0.000 0.456 3068 K N 3.011 123.524 120.400 0.188 0.000 2.205 3068 K HA 0.323 4.643 4.320 0.000 0.000 0.279 3068 K C 0.072 176.732 176.600 0.100 0.000 1.027 3068 K CA -0.078 56.280 56.287 0.118 0.000 0.932 3068 K CB 0.595 33.149 32.500 0.089 0.000 1.032 3068 K HN 0.817 nan 8.250 nan 0.000 0.466 3069 L N 2.495 123.755 121.223 0.062 0.000 2.362 3069 L HA 0.118 4.458 4.340 0.000 0.000 0.204 3069 L C 0.906 177.786 176.870 0.017 0.000 1.060 3069 L CA 0.342 55.198 54.840 0.025 0.000 0.827 3069 L CB 0.018 42.075 42.059 -0.003 0.000 1.027 3069 L HN 0.794 nan 8.230 nan 0.000 0.474 3070 N N -2.340 116.372 118.700 0.021 0.000 3.106 3070 N HA 0.040 4.780 4.740 0.000 0.000 0.253 3070 N C -0.899 174.625 175.510 0.023 0.000 1.506 3070 N CA -0.526 52.533 53.050 0.015 0.000 0.876 3070 N CB 1.262 39.749 38.487 -0.000 0.000 1.452 3070 N HN -0.268 nan 8.380 nan 0.000 0.542 3071 D N -0.138 120.271 120.400 0.015 0.000 2.403 3071 D HA -0.038 4.602 4.640 0.000 0.000 0.227 3071 D C 0.269 176.590 176.300 0.035 0.000 0.995 3071 D CA 1.343 55.350 54.000 0.013 0.000 0.928 3071 D CB 0.017 40.812 40.800 -0.009 0.000 0.887 3071 D HN 0.445 nan 8.370 nan 0.000 0.529 3072 K N -0.829 119.599 120.400 0.046 0.000 2.520 3072 K HA 0.358 4.678 4.320 0.000 0.000 0.206 3072 K C -0.174 176.479 176.600 0.088 0.000 1.122 3072 K CA -0.005 56.331 56.287 0.081 0.000 1.045 3072 K CB 1.653 34.193 32.500 0.068 0.000 0.932 3072 K HN -0.029 nan 8.250 nan 0.000 0.571 3073 I N 0.399 121.009 120.570 0.065 0.000 2.827 3073 I HA 0.603 4.773 4.170 0.000 0.000 0.298 3073 I C -1.575 174.588 176.117 0.077 0.000 1.235 3073 I CA -1.126 60.214 61.300 0.067 0.000 1.021 3073 I CB 2.359 40.364 38.000 0.009 0.000 1.259 3073 I HN -0.065 nan 8.210 nan 0.000 0.427 3074 A N 4.212 127.094 122.820 0.103 0.000 2.604 3074 A HA 0.828 5.148 4.320 0.000 0.000 0.295 3074 A C -1.500 176.149 177.584 0.107 0.000 1.067 3074 A CA -0.626 51.470 52.037 0.099 0.000 0.683 3074 A CB 1.894 20.951 19.000 0.095 0.000 1.281 3074 A HN 0.645 nan 8.150 nan 0.000 0.407 3075 V N -1.347 118.615 119.914 0.080 0.000 2.823 3075 V HA 0.973 5.093 4.120 0.000 0.000 0.312 3075 V C 0.154 176.304 176.094 0.094 0.000 1.072 3075 V CA -0.370 61.946 62.300 0.027 0.000 0.937 3075 V CB 1.227 32.948 31.823 -0.170 0.000 1.013 3075 V HN 2.122 nan 8.190 nan 0.000 0.430 3076 A N 3.283 126.151 122.820 0.081 0.000 2.312 3076 A HA 0.888 5.208 4.320 0.000 0.000 0.326 3076 A C -0.396 177.302 177.584 0.189 0.000 1.172 3076 A CA -0.660 51.437 52.037 0.101 0.000 0.821 3076 A CB 1.394 20.410 19.000 0.026 0.000 1.166 3076 A HN 1.364 nan 8.150 nan 0.000 0.493 3077 V N 0.588 120.612 119.914 0.185 0.000 2.581 3077 V HA 0.774 4.894 4.120 0.000 0.000 0.303 3077 V C 0.282 176.390 176.094 0.023 0.000 1.041 3077 V CA -0.246 62.140 62.300 0.144 0.000 0.907 3077 V CB 1.530 33.509 31.823 0.260 0.000 0.994 3077 V HN 1.285 nan 8.190 nan 0.000 0.442 3078 A N 2.781 125.560 122.820 -0.069 0.000 2.522 3078 A HA 0.953 5.273 4.320 0.000 0.000 0.285 3078 A C 0.075 177.612 177.584 -0.079 0.000 1.198 3078 A CA 0.246 52.249 52.037 -0.056 0.000 0.742 3078 A CB 0.937 19.899 19.000 -0.063 0.000 1.176 3078 A HN 1.753 nan 8.150 nan 0.000 0.444 3079 G N 0.187 108.965 108.800 -0.037 0.000 2.345 3079 G HA2 0.492 4.452 3.960 0.000 0.000 0.285 3079 G HA3 0.492 4.452 3.960 0.000 0.000 0.285 3079 G C -1.623 173.281 174.900 0.006 0.000 1.297 3079 G CA -0.504 44.577 45.100 -0.033 0.000 0.875 3079 G HN 1.542 nan 8.290 nan 0.000 0.506 3080 L N 1.614 122.844 121.223 0.012 0.000 2.418 3080 L HA 0.519 4.859 4.340 0.000 0.000 0.274 3080 L C 1.779 178.680 176.870 0.052 0.000 1.135 3080 L CA 1.162 56.019 54.840 0.030 0.000 0.870 3080 L CB 0.352 42.422 42.059 0.018 0.000 1.154 3080 L HN 0.707 nan 8.230 nan 0.000 0.462 3081 T N 4.004 118.601 114.554 0.071 0.000 2.595 3081 T HA -0.202 4.148 4.350 0.000 0.000 0.264 3081 T C 1.709 176.461 174.700 0.086 0.000 1.058 3081 T CA 1.930 64.096 62.100 0.109 0.000 1.166 3081 T CB -0.378 68.568 68.868 0.130 0.000 0.863 3081 T HN 0.793 nan 8.240 nan 0.000 0.415 3082 A N 1.178 124.036 122.820 0.064 0.000 2.148 3082 A HA -0.207 4.113 4.320 0.000 0.000 0.222 3082 A C 1.986 179.599 177.584 0.048 0.000 1.161 3082 A CA 2.087 54.152 52.037 0.047 0.000 0.662 3082 A CB -0.686 18.332 19.000 0.030 0.000 0.799 3082 A HN 0.447 nan 8.150 nan 0.000 0.466 3083 D N -1.208 119.229 120.400 0.060 0.000 2.216 3083 D HA 0.232 4.872 4.640 0.000 0.000 0.208 3083 D C 2.178 178.607 176.300 0.216 0.000 0.960 3083 D CA 1.096 55.157 54.000 0.102 0.000 0.861 3083 D CB -0.098 40.743 40.800 0.069 0.000 0.985 3083 D HN 0.355 nan 8.370 nan 0.000 0.493 3084 A N 0.494 123.400 122.820 0.143 0.000 1.970 3084 A HA -0.090 4.230 4.320 0.000 0.000 0.216 3084 A C 1.918 179.542 177.584 0.067 0.000 1.170 3084 A CA 0.908 53.043 52.037 0.164 0.000 0.645 3084 A CB -0.364 18.733 19.000 0.163 0.000 0.816 3084 A HN 0.127 nan 8.150 nan 0.000 0.447 3085 E N -0.205 119.977 120.200 -0.030 0.000 2.160 3085 E HA -0.163 4.187 4.350 0.000 0.000 0.195 3085 E C 1.652 178.243 176.600 -0.014 0.000 0.991 3085 E CA 0.895 57.226 56.400 -0.114 0.000 0.810 3085 E CB -0.179 29.477 29.700 -0.073 0.000 0.742 3085 E HN 0.505 nan 8.360 nan 0.000 0.466 3086 I N 0.837 121.453 120.570 0.077 0.000 2.394 3086 I HA -0.204 3.966 4.170 0.000 0.000 0.251 3086 I C 2.266 178.465 176.117 0.137 0.000 1.136 3086 I CA 1.005 62.378 61.300 0.122 0.000 1.425 3086 I CB -0.712 37.392 38.000 0.173 0.000 1.079 3086 I HN 0.180 nan 8.210 nan 0.000 0.425 3087 L N 0.029 121.335 121.223 0.138 0.000 2.034 3087 L HA -0.130 4.210 4.340 0.000 0.000 0.203 3087 L C 2.553 179.413 176.870 -0.017 0.000 1.074 3087 L CA 1.185 56.050 54.840 0.041 0.000 0.748 3087 L CB -0.228 41.839 42.059 0.013 0.000 0.905 3087 L HN 0.067 nan 8.230 nan 0.000 0.439 3088 I N 0.174 120.713 120.570 -0.051 0.000 2.151 3088 I HA -0.383 3.787 4.170 0.000 0.000 0.243 3088 I C 2.245 178.316 176.117 -0.077 0.000 1.080 3088 I CA 1.633 62.857 61.300 -0.126 0.000 1.339 3088 I CB -0.503 37.355 38.000 -0.236 0.000 1.039 3088 I HN 0.408 nan 8.210 nan 0.000 0.409 3089 N N 0.726 119.394 118.700 -0.054 0.000 2.091 3089 N HA -0.241 4.499 4.740 0.000 0.000 0.193 3089 N C 1.832 177.342 175.510 -0.000 0.000 1.021 3089 N CA 2.424 55.463 53.050 -0.018 0.000 0.862 3089 N CB -0.238 38.249 38.487 0.000 0.000 1.018 3089 N HN 0.480 nan 8.380 nan 0.000 0.429 3090 T N -3.532 111.025 114.554 0.005 0.000 3.067 3090 T HA 0.264 4.614 4.350 0.000 0.000 0.261 3090 T C 1.635 176.338 174.700 0.005 0.000 1.110 3090 T CA 0.751 62.860 62.100 0.015 0.000 1.113 3090 T CB -0.203 68.680 68.868 0.024 0.000 0.917 3090 T HN 0.211 nan 8.240 nan 0.000 0.499 3091 A N 1.504 124.308 122.820 -0.025 0.000 1.984 3091 A HA 0.305 4.625 4.320 0.000 0.000 0.214 3091 A C 2.478 180.060 177.584 -0.004 0.000 1.173 3091 A CA 0.263 52.278 52.037 -0.036 0.000 0.673 3091 A CB -0.373 18.564 19.000 -0.105 0.000 0.830 3091 A HN 0.463 nan 8.150 nan 0.000 0.453 3092 R N -0.521 119.974 120.500 -0.009 0.000 2.189 3092 R HA 0.082 4.422 4.340 0.000 0.000 0.223 3092 R C 1.613 177.926 176.300 0.021 0.000 1.092 3092 R CA 1.120 57.222 56.100 0.003 0.000 0.989 3092 R CB -0.251 30.051 30.300 0.005 0.000 0.876 3092 R HN 0.541 nan 8.270 nan 0.000 0.457 3093 I N -1.175 119.416 120.570 0.035 0.000 2.339 3093 I HA -0.191 3.979 4.170 0.000 0.000 0.245 3093 I C 2.200 178.360 176.117 0.073 0.000 1.096 3093 I CA 0.876 62.203 61.300 0.046 0.000 1.408 3093 I CB -0.162 37.867 38.000 0.049 0.000 1.092 3093 I HN 0.168 nan 8.210 nan 0.000 0.423 3094 H N 1.417 120.481 119.070 -0.011 0.000 2.353 3094 H HA -0.211 4.345 4.556 0.000 0.000 0.298 3094 H C 2.139 177.476 175.328 0.015 0.000 1.103 3094 H CA 1.920 57.966 56.048 -0.003 0.000 1.293 3094 H CB -0.076 29.660 29.762 -0.043 0.000 1.372 3094 H HN 0.334 nan 8.280 nan 0.000 0.501 3095 A N 0.432 123.264 122.820 0.021 0.000 1.869 3095 A HA -0.274 4.046 4.320 0.000 0.000 0.218 3095 A C 2.268 179.853 177.584 0.002 0.000 1.203 3095 A CA 2.097 54.119 52.037 -0.025 0.000 0.638 3095 A CB -0.586 18.406 19.000 -0.013 0.000 0.831 3095 A HN 0.550 nan 8.150 nan 0.000 0.450 3096 Q N -0.301 119.504 119.800 0.009 0.000 2.291 3096 Q HA -0.080 4.260 4.340 0.000 0.000 0.205 3096 Q C 1.537 177.540 176.000 0.005 0.000 0.970 3096 Q CA 0.970 56.781 55.803 0.012 0.000 0.876 3096 Q CB -0.451 28.293 28.738 0.010 0.000 0.935 3096 Q HN 0.673 nan 8.270 nan 0.000 0.455 3097 N N -0.249 118.443 118.700 -0.012 0.000 2.300 3097 N HA -0.116 4.624 4.740 0.000 0.000 0.179 3097 N C 1.417 176.916 175.510 -0.018 0.000 1.016 3097 N CA 0.610 53.643 53.050 -0.029 0.000 0.876 3097 N CB -0.127 38.340 38.487 -0.034 0.000 0.979 3097 N HN 0.302 nan 8.380 nan 0.000 0.432 3098 Y N 0.635 120.854 120.300 -0.136 0.000 2.544 3098 Y HA 0.049 4.599 4.550 0.000 0.000 0.286 3098 Y C 1.837 177.767 175.900 0.049 0.000 1.141 3098 Y CA 0.300 58.386 58.100 -0.023 0.000 1.299 3098 Y CB 0.100 38.476 38.460 -0.140 0.000 1.030 3098 Y HN -0.093 nan 8.280 nan 0.000 0.543 3099 L N 1.052 122.334 121.223 0.098 0.000 2.051 3099 L HA -0.043 4.297 4.340 0.000 0.000 0.202 3099 L C 2.485 179.335 176.870 -0.033 0.000 1.097 3099 L CA 1.883 56.748 54.840 0.041 0.000 0.762 3099 L CB -1.216 40.867 42.059 0.040 0.000 0.913 3099 L HN 0.149 nan 8.230 nan 0.000 0.447 3100 K N -1.504 118.873 120.400 -0.039 0.000 2.318 3100 K HA -0.230 4.090 4.320 0.000 0.000 0.204 3100 K C 1.378 177.902 176.600 -0.127 0.000 1.044 3100 K CA 2.028 58.274 56.287 -0.067 0.000 0.932 3100 K CB -0.087 32.380 32.500 -0.054 0.000 0.734 3100 K HN 0.443 nan 8.250 nan 0.000 0.473 3101 T N -0.892 113.550 114.554 -0.187 0.000 2.988 3101 T HA 0.040 4.390 4.350 0.000 0.000 0.240 3101 T C 0.710 175.110 174.700 -0.500 0.000 1.014 3101 T CA 0.780 62.653 62.100 -0.379 0.000 1.155 3101 T CB -0.086 68.468 68.868 -0.524 0.000 0.872 3101 T HN 0.293 nan 8.240 nan 0.000 0.440 3102 Y N 0.899 121.010 120.300 -0.316 0.000 2.481 3102 Y HA 0.438 4.988 4.550 0.000 0.000 0.247 3102 Y C 1.144 176.919 175.900 -0.209 0.000 1.151 3102 Y CA -0.796 57.116 58.100 -0.313 0.000 1.238 3102 Y CB 0.011 38.153 38.460 -0.530 0.000 1.179 3102 Y HN 0.095 nan 8.280 nan 0.000 0.524 3103 N N 1.763 120.442 118.700 -0.034 0.000 2.693 3103 N HA -0.233 4.507 4.740 0.000 0.000 0.249 3103 N C -0.770 174.745 175.510 0.008 0.000 1.119 3103 N CA 1.171 54.212 53.050 -0.015 0.000 0.717 3103 N CB -0.653 37.820 38.487 -0.023 0.000 1.071 3103 N HN 0.583 nan 8.380 nan 0.000 0.555 3104 E N -0.196 120.018 120.200 0.024 0.000 2.312 3104 E HA 0.270 4.620 4.350 0.000 0.000 0.267 3104 E C -1.047 175.643 176.600 0.150 0.000 0.894 3104 E CA -0.825 55.611 56.400 0.061 0.000 0.773 3104 E CB 1.205 30.936 29.700 0.051 0.000 1.241 3104 E HN 0.036 nan 8.360 nan 0.000 0.432 3105 D N 1.680 122.141 120.400 0.102 0.000 2.424 3105 D HA 0.069 4.709 4.640 0.000 0.000 0.244 3105 D C -0.166 176.182 176.300 0.080 0.000 1.134 3105 D CA 0.096 54.146 54.000 0.084 0.000 0.881 3105 D CB 0.695 41.500 40.800 0.009 0.000 1.191 3105 D HN 0.349 nan 8.370 nan 0.000 0.445 3106 I N 3.810 124.368 120.570 -0.019 0.000 2.683 3106 I HA 0.041 4.211 4.170 0.000 0.000 0.286 3106 I C -2.147 173.734 176.117 -0.394 0.000 1.175 3106 I CA -1.088 59.932 61.300 -0.468 0.000 1.429 3106 I CB 0.671 38.388 38.000 -0.472 0.000 1.371 3106 I HN 0.122 nan 8.210 nan 0.000 0.569 3107 P HA 0.046 nan 4.420 nan 0.000 0.271 3107 P C 0.760 177.864 177.300 -0.326 0.000 1.216 3107 P CA -0.355 62.559 63.100 -0.309 0.000 0.771 3107 P CB 1.011 32.554 31.700 -0.262 0.000 0.864 3108 V N 3.137 122.894 119.914 -0.263 0.000 2.255 3108 V HA -0.277 3.843 4.120 0.000 0.000 0.247 3108 V C 2.288 178.041 176.094 -0.569 0.000 1.051 3108 V CA 2.297 64.392 62.300 -0.341 0.000 1.018 3108 V CB -1.179 30.523 31.823 -0.202 0.000 0.641 3108 V HN 0.702 nan 8.190 nan 0.000 0.445 3109 E N 0.043 119.895 120.200 -0.580 0.000 2.171 3109 E HA -0.251 4.099 4.350 0.000 0.000 0.197 3109 E C 2.089 178.318 176.600 -0.619 0.000 0.997 3109 E CA 1.795 57.740 56.400 -0.757 0.000 0.810 3109 E CB -0.188 29.224 29.700 -0.480 0.000 0.738 3109 E HN 0.656 nan 8.360 nan 0.000 0.467 3110 I N 0.740 121.049 120.570 -0.436 0.000 2.439 3110 I HA -0.204 3.966 4.170 0.000 0.000 0.251 3110 I C 2.505 178.426 176.117 -0.328 0.000 1.139 3110 I CA 0.517 61.620 61.300 -0.328 0.000 1.438 3110 I CB -0.209 37.612 38.000 -0.297 0.000 1.085 3110 I HN 0.309 nan 8.210 nan 0.000 0.427 3111 L N 0.327 121.313 121.223 -0.396 0.000 2.095 3111 L HA -0.129 4.211 4.340 0.000 0.000 0.204 3111 L C 2.575 179.125 176.870 -0.533 0.000 1.080 3111 L CA 1.067 55.698 54.840 -0.349 0.000 0.759 3111 L CB 0.022 41.878 42.059 -0.338 0.000 0.914 3111 L HN -0.012 nan 8.230 nan 0.000 0.439 3112 V N 0.440 119.879 119.914 -0.792 0.000 2.233 3112 V HA -0.341 3.779 4.120 0.000 0.000 0.247 3112 V C 2.719 178.392 176.094 -0.702 0.000 1.050 3112 V CA 2.323 64.020 62.300 -1.004 0.000 1.010 3112 V CB -0.777 30.242 31.823 -1.341 0.000 0.637 3112 V HN 0.543 nan 8.190 nan 0.000 0.444 3113 R N 0.093 120.154 120.500 -0.732 0.000 2.117 3113 R HA -0.261 4.079 4.340 0.000 0.000 0.243 3113 R C 2.376 178.531 176.300 -0.242 0.000 1.143 3113 R CA 2.136 58.002 56.100 -0.390 0.000 0.968 3113 R CB -0.286 29.874 30.300 -0.233 0.000 0.863 3113 R HN 0.356 nan 8.270 nan 0.000 0.444 3114 R N 0.630 120.936 120.500 -0.324 0.000 2.096 3114 R HA -0.049 4.291 4.340 0.000 0.000 0.235 3114 R C 2.109 178.253 176.300 -0.260 0.000 1.127 3114 R CA 1.467 57.355 56.100 -0.354 0.000 0.968 3114 R CB -0.368 29.526 30.300 -0.676 0.000 0.861 3114 R HN 0.322 nan 8.270 nan 0.000 0.440 3115 L N -0.952 120.134 121.223 -0.229 0.000 2.022 3115 L HA -0.058 4.282 4.340 0.000 0.000 0.204 3115 L C 2.182 179.028 176.870 -0.039 0.000 1.076 3115 L CA 1.400 56.167 54.840 -0.122 0.000 0.749 3115 L CB -0.628 41.392 42.059 -0.065 0.000 0.903 3115 L HN 0.153 nan 8.230 nan 0.000 0.439 3116 S N 0.070 115.778 115.700 0.013 0.000 2.432 3116 S HA -0.270 4.200 4.470 0.000 0.000 0.243 3116 S C 1.386 176.033 174.600 0.078 0.000 1.069 3116 S CA 1.880 60.143 58.200 0.106 0.000 1.047 3116 S CB -0.466 62.867 63.200 0.222 0.000 0.854 3116 S HN 0.435 nan 8.310 nan 0.000 0.474 3117 D N 0.695 121.108 120.400 0.021 0.000 2.289 3117 D HA 0.116 4.756 4.640 0.000 0.000 0.207 3117 D C 1.678 177.986 176.300 0.013 0.000 0.966 3117 D CA 0.511 54.521 54.000 0.015 0.000 0.868 3117 D CB -0.131 40.657 40.800 -0.020 0.000 0.943 3117 D HN 0.473 nan 8.370 nan 0.000 0.514 3118 I N 0.005 120.580 120.570 0.008 0.000 2.703 3118 I HA -0.063 4.107 4.170 0.000 0.000 0.259 3118 I C 2.061 178.288 176.117 0.183 0.000 1.151 3118 I CA 0.336 61.664 61.300 0.046 0.000 1.470 3118 I CB -0.091 37.930 38.000 0.034 0.000 1.112 3118 I HN -0.173 nan 8.210 nan 0.000 0.437 3119 K N 1.661 122.141 120.400 0.133 0.000 2.002 3119 K HA -0.221 4.099 4.320 0.000 0.000 0.209 3119 K C 2.116 178.886 176.600 0.284 0.000 1.048 3119 K CA 1.818 58.246 56.287 0.234 0.000 0.930 3119 K CB -0.475 32.093 32.500 0.114 0.000 0.714 3119 K HN 0.370 nan 8.250 nan 0.000 0.438 3120 Q N 0.758 120.659 119.800 0.168 0.000 2.500 3120 Q HA -0.047 4.293 4.340 0.000 0.000 0.213 3120 Q C 1.613 177.681 176.000 0.113 0.000 0.974 3120 Q CA 1.628 57.512 55.803 0.135 0.000 0.918 3120 Q CB -0.528 28.265 28.738 0.091 0.000 0.980 3120 Q HN 0.272 nan 8.270 nan 0.000 0.505 3121 G N -0.689 108.164 108.800 0.088 0.000 2.448 3121 G HA2 -0.189 3.771 3.960 0.000 0.000 0.218 3121 G HA3 -0.189 3.771 3.960 0.000 0.000 0.218 3121 G C 0.598 175.443 174.900 -0.092 0.000 1.135 3121 G CA 0.613 45.681 45.100 -0.053 0.000 0.784 3121 G HN 0.492 nan 8.290 nan 0.000 0.543 3122 Y N -0.148 120.234 120.300 0.138 0.000 2.509 3122 Y HA 0.156 4.706 4.550 0.000 0.000 0.270 3122 Y C 2.634 178.597 175.900 0.106 0.000 1.103 3122 Y CA 0.621 58.797 58.100 0.126 0.000 1.278 3122 Y CB 0.172 38.705 38.460 0.121 0.000 1.087 3122 Y HN -0.004 nan 8.280 nan 0.000 0.542 3123 T N 0.719 115.423 114.554 0.250 0.000 3.427 3123 T HA -0.114 4.236 4.350 0.000 0.000 0.256 3123 T C 1.311 176.076 174.700 0.108 0.000 1.172 3123 T CA 1.182 63.377 62.100 0.157 0.000 1.018 3123 T CB -0.249 68.701 68.868 0.138 0.000 0.981 3123 T HN 0.497 nan 8.240 nan 0.000 0.555 3124 Q N -0.936 118.932 119.800 0.114 0.000 2.305 3124 Q HA -0.009 4.331 4.340 0.000 0.000 0.176 3124 Q C 0.382 176.426 176.000 0.074 0.000 0.708 3124 Q CA -0.331 55.517 55.803 0.075 0.000 0.888 3124 Q CB 0.269 29.044 28.738 0.061 0.000 1.240 3124 Q HN 0.429 nan 8.270 nan 0.000 0.392 3125 H N 1.203 120.275 119.070 0.004 0.000 3.220 3125 H HA 0.209 4.765 4.556 0.000 0.000 0.225 3125 H C 0.388 175.732 175.328 0.026 0.000 1.869 3125 H CA 0.979 57.022 56.048 -0.008 0.000 1.428 3125 H CB -0.064 29.664 29.762 -0.057 0.000 1.792 3125 H HN 0.517 nan 8.280 nan 0.000 0.595 3126 G N 1.649 110.458 108.800 0.014 0.000 3.286 3126 G HA2 -0.102 3.858 3.960 0.000 0.000 0.213 3126 G HA3 -0.102 3.858 3.960 0.000 0.000 0.213 3126 G C 1.278 176.204 174.900 0.044 0.000 1.274 3126 G CA 0.254 45.384 45.100 0.050 0.000 1.218 3126 G HN 0.586 nan 8.290 nan 0.000 0.504 3127 G N -0.638 108.223 108.800 0.102 0.000 3.126 3127 G HA2 0.466 4.426 3.960 0.000 0.000 0.224 3127 G HA3 0.466 4.426 3.960 0.000 0.000 0.224 3127 G C 0.189 175.192 174.900 0.172 0.000 1.142 3127 G CA -0.186 44.983 45.100 0.115 0.000 0.759 3127 G HN 0.377 nan 8.290 nan 0.000 0.550 3128 L N -0.365 120.995 121.223 0.228 0.000 2.409 3128 L HA 0.519 4.859 4.340 0.000 0.000 0.255 3128 L C -0.340 176.615 176.870 0.141 0.000 1.027 3128 L CA -1.505 53.454 54.840 0.199 0.000 0.834 3128 L CB 2.420 44.670 42.059 0.318 0.000 1.426 3128 L HN 0.115 nan 8.230 nan 0.000 0.411 3129 R N 0.480 120.954 120.500 -0.043 0.000 2.265 3129 R HA 0.544 4.884 4.340 0.000 0.000 0.314 3129 R C -2.567 173.541 176.300 -0.320 0.000 1.053 3129 R CA -1.530 54.489 56.100 -0.134 0.000 0.931 3129 R CB 0.036 30.250 30.300 -0.144 0.000 1.024 3129 R HN 0.165 nan 8.270 nan 0.000 0.457 3130 P HA -0.170 nan 4.420 nan 0.000 0.275 3130 P C -0.947 176.186 177.300 -0.277 0.000 1.255 3130 P CA 0.283 63.313 63.100 -0.117 0.000 0.843 3130 P CB 0.296 32.013 31.700 0.029 0.000 0.948 3131 F N -1.285 118.599 119.950 -0.111 0.000 2.443 3131 F HA 0.449 4.976 4.527 0.000 0.000 0.335 3131 F C 1.456 177.208 175.800 -0.081 0.000 1.104 3131 F CA 0.111 58.041 58.000 -0.117 0.000 1.013 3131 F CB 1.120 40.076 39.000 -0.073 0.000 1.136 3131 F HN 0.282 nan 8.300 nan 0.000 0.470 3132 G N 1.300 110.155 108.800 0.092 0.000 2.421 3132 G HA2 0.299 4.259 3.960 0.000 0.000 0.238 3132 G HA3 0.299 4.259 3.960 0.000 0.000 0.238 3132 G C -0.276 174.627 174.900 0.005 0.000 1.544 3132 G CA -0.083 45.040 45.100 0.037 0.000 1.044 3132 G HN 0.750 nan 8.290 nan 0.000 0.537 3133 V N -1.286 118.581 119.914 -0.078 0.000 3.565 3133 V HA -0.083 4.037 4.120 0.000 0.000 0.508 3133 V C 0.099 175.977 176.094 -0.360 0.000 0.682 3133 V CA 0.707 62.850 62.300 -0.262 0.000 2.059 3133 V CB -1.321 30.296 31.823 -0.342 0.000 2.484 3133 V HN 0.954 nan 8.190 nan 0.000 0.510 3134 S N 4.533 119.979 115.700 -0.423 0.000 2.536 3134 S HA 0.892 5.362 4.470 0.000 0.000 0.287 3134 S C -1.013 173.321 174.600 -0.444 0.000 1.101 3134 S CA -0.503 57.481 58.200 -0.360 0.000 0.950 3134 S CB 1.366 64.469 63.200 -0.161 0.000 1.056 3134 S HN 0.508 nan 8.310 nan 0.000 0.481 3135 F N 2.355 122.203 119.950 -0.170 0.000 2.469 3135 F HA 0.580 5.108 4.527 0.000 0.000 0.332 3135 F C 0.184 175.760 175.800 -0.375 0.000 1.103 3135 F CA -1.028 56.753 58.000 -0.365 0.000 0.979 3135 F CB 0.977 39.531 39.000 -0.744 0.000 1.137 3135 F HN 0.338 nan 8.300 nan 0.000 0.463 3136 I N 3.981 124.499 120.570 -0.086 0.000 2.331 3136 I HA 0.254 4.424 4.170 0.000 0.000 0.292 3136 I C -1.085 174.954 176.117 -0.129 0.000 0.998 3136 I CA -0.758 60.494 61.300 -0.079 0.000 1.267 3136 I CB 0.820 38.801 38.000 -0.031 0.000 1.386 3136 I HN 0.458 nan 8.210 nan 0.000 0.476 3137 Y N 4.710 125.114 120.300 0.172 0.000 2.341 3137 Y HA 0.650 5.200 4.550 0.000 0.000 0.337 3137 Y C 0.337 176.330 175.900 0.155 0.000 1.014 3137 Y CA -0.876 57.295 58.100 0.119 0.000 1.111 3137 Y CB 1.670 40.182 38.460 0.086 0.000 1.194 3137 Y HN 0.582 nan 8.280 nan 0.000 0.462 3138 A N 2.510 125.485 122.820 0.258 0.000 2.319 3138 A HA 0.877 5.197 4.320 0.000 0.000 0.310 3138 A C -0.133 177.583 177.584 0.220 0.000 1.152 3138 A CA -0.247 51.926 52.037 0.226 0.000 0.783 3138 A CB 0.617 19.709 19.000 0.153 0.000 1.184 3138 A HN 0.902 nan 8.150 nan 0.000 0.474 3139 G N 0.052 109.004 108.800 0.253 0.000 2.692 3139 G HA2 0.551 4.511 3.960 0.000 0.000 0.291 3139 G HA3 0.551 4.511 3.960 0.000 0.000 0.291 3139 G C -1.899 173.168 174.900 0.279 0.000 1.423 3139 G CA -0.445 44.783 45.100 0.213 0.000 0.843 3139 G HN 0.902 nan 8.290 nan 0.000 0.486 3140 Y N 1.250 121.583 120.300 0.056 0.000 2.391 3140 Y HA 0.571 5.121 4.550 0.000 0.000 0.341 3140 Y C -1.251 174.610 175.900 -0.064 0.000 0.965 3140 Y CA -0.836 57.227 58.100 -0.062 0.000 1.067 3140 Y CB 2.094 40.427 38.460 -0.212 0.000 1.199 3140 Y HN 0.775 nan 8.280 nan 0.000 0.450 3141 D N 2.765 122.670 120.400 -0.825 0.000 2.756 3141 D HA 0.130 4.770 4.640 0.000 0.000 0.226 3141 D C -0.586 175.172 176.300 -0.903 0.000 1.186 3141 D CA -0.772 52.772 54.000 -0.759 0.000 0.845 3141 D CB 1.289 41.900 40.800 -0.315 0.000 1.610 3141 D HN 0.590 nan 8.370 nan 0.000 0.465 3142 D N 0.337 120.358 120.400 -0.632 0.000 2.338 3142 D HA -0.094 4.546 4.640 0.000 0.000 0.239 3142 D C 1.013 177.182 176.300 -0.217 0.000 1.095 3142 D CA -0.007 53.765 54.000 -0.379 0.000 0.888 3142 D CB 0.420 41.112 40.800 -0.180 0.000 0.899 3142 D HN 0.458 nan 8.370 nan 0.000 0.525 3143 R N -0.466 119.904 120.500 -0.217 0.000 2.123 3143 R HA 0.013 4.353 4.340 0.000 0.000 0.209 3143 R C -0.048 176.043 176.300 -0.348 0.000 1.078 3143 R CA 0.284 56.238 56.100 -0.244 0.000 1.028 3143 R CB 0.389 30.571 30.300 -0.197 0.000 0.939 3143 R HN 0.061 nan 8.270 nan 0.000 0.463 3144 Y N 0.707 120.962 120.300 -0.075 0.000 2.787 3144 Y HA 0.328 4.878 4.550 0.000 0.000 0.352 3144 Y C 0.908 176.826 175.900 0.031 0.000 1.027 3144 Y CA -0.276 57.824 58.100 -0.000 0.000 1.219 3144 Y CB 1.254 39.734 38.460 0.034 0.000 1.110 3144 Y HN 0.338 nan 8.280 nan 0.000 0.614 3145 G N 1.285 110.195 108.800 0.182 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 -0.251 174.852 174.900 0.338 0.000 1.210 3145 G CA 0.339 45.609 45.100 0.284 0.000 0.846 3145 G HN 0.531 nan 8.290 nan 0.000 0.739 3146 Y N 1.226 121.751 120.300 0.374 0.000 2.304 3146 Y HA 0.482 5.032 4.550 0.000 0.000 0.327 3146 Y C 1.126 177.165 175.900 0.231 0.000 1.209 3146 Y CA 0.104 58.394 58.100 0.317 0.000 1.299 3146 Y CB 0.962 39.531 38.460 0.182 0.000 1.249 3146 Y HN 0.415 nan 8.280 nan 0.000 0.519 3147 Q N 2.418 122.445 119.800 0.378 0.000 2.397 3147 Q HA 0.627 4.967 4.340 0.000 0.000 0.275 3147 Q C -1.886 174.264 176.000 0.250 0.000 1.090 3147 Q CA -1.288 54.681 55.803 0.277 0.000 0.809 3147 Q CB 3.108 32.085 28.738 0.397 0.000 1.362 3147 Q HN 0.453 nan 8.270 nan 0.000 0.431 3148 L N 1.859 123.128 121.223 0.077 0.000 2.409 3148 L HA 0.551 4.891 4.340 0.000 0.000 0.272 3148 L C -1.931 174.942 176.870 0.005 0.000 0.980 3148 L CA -0.341 54.582 54.840 0.139 0.000 0.826 3148 L CB 1.433 43.574 42.059 0.136 0.000 1.268 3148 L HN 0.595 nan 8.230 nan 0.000 0.407 3149 Y N 1.702 122.205 120.300 0.338 0.000 2.634 3149 Y HA 0.786 5.336 4.550 0.000 0.000 0.340 3149 Y C 0.152 176.352 175.900 0.501 0.000 1.058 3149 Y CA -0.660 57.703 58.100 0.439 0.000 1.081 3149 Y CB 2.681 41.359 38.460 0.363 0.000 1.295 3149 Y HN 0.463 nan 8.280 nan 0.000 0.487 3150 T N 0.515 115.500 114.554 0.717 0.000 2.909 3150 T HA 0.507 4.857 4.350 0.000 0.000 0.299 3150 T C -1.303 173.686 174.700 0.482 0.000 1.073 3150 T CA -0.732 61.658 62.100 0.483 0.000 0.999 3150 T CB 1.298 70.454 68.868 0.481 0.000 1.098 3150 T HN 0.424 nan 8.240 nan 0.000 0.477 3151 S N 3.252 119.136 115.700 0.306 0.000 2.356 3151 S HA 0.291 4.761 4.470 0.000 0.000 0.171 3151 S C -0.228 174.458 174.600 0.143 0.000 1.399 3151 S CA -0.864 57.526 58.200 0.315 0.000 1.225 3151 S CB -0.202 63.281 63.200 0.471 0.000 1.271 3151 S HN 0.726 nan 8.310 nan 0.000 0.427 3152 N N 2.626 121.402 118.700 0.128 0.000 2.483 3152 N HA 0.266 5.006 4.740 0.000 0.000 0.269 3152 N C -2.596 172.961 175.510 0.077 0.000 1.209 3152 N CA -1.373 51.715 53.050 0.062 0.000 0.969 3152 N CB 0.327 38.851 38.487 0.063 0.000 1.173 3152 N HN 0.135 nan 8.380 nan 0.000 0.475 3153 P HA 0.026 nan 4.420 nan 0.000 0.244 3153 P C 1.119 178.490 177.300 0.118 0.000 1.211 3153 P CA 0.480 63.643 63.100 0.105 0.000 0.760 3153 P CB 0.157 31.928 31.700 0.118 0.000 0.961 3154 S N -0.648 115.110 115.700 0.097 0.000 2.383 3154 S HA 0.023 4.493 4.470 0.000 0.000 0.227 3154 S C 1.744 176.401 174.600 0.096 0.000 1.026 3154 S CA 1.779 60.030 58.200 0.086 0.000 0.981 3154 S CB -0.704 62.538 63.200 0.069 0.000 0.818 3154 S HN 0.329 nan 8.310 nan 0.000 0.472 3155 G N 0.291 109.160 108.800 0.115 0.000 2.255 3155 G HA2 -0.151 3.809 3.960 0.000 0.000 0.196 3155 G HA3 -0.151 3.809 3.960 0.000 0.000 0.196 3155 G C -0.143 174.839 174.900 0.137 0.000 0.998 3155 G CA -0.267 44.907 45.100 0.123 0.000 0.656 3155 G HN 0.487 nan 8.290 nan 0.000 0.490 3156 N N 0.361 119.132 118.700 0.118 0.000 2.509 3156 N HA 0.597 5.337 4.740 0.000 0.000 0.287 3156 N C -0.505 175.127 175.510 0.203 0.000 1.121 3156 N CA 0.219 53.318 53.050 0.082 0.000 0.977 3156 N CB 1.165 39.670 38.487 0.030 0.000 1.167 3156 N HN 0.562 nan 8.380 nan 0.000 0.476 3157 Y N -1.690 118.688 120.300 0.131 0.000 2.570 3157 Y HA 0.745 5.295 4.550 0.000 0.000 0.345 3157 Y C -0.599 175.398 175.900 0.161 0.000 1.014 3157 Y CA -0.924 57.301 58.100 0.209 0.000 1.063 3157 Y CB 1.390 39.986 38.460 0.227 0.000 1.272 3157 Y HN 0.408 nan 8.280 nan 0.000 0.477 3158 T N -0.636 114.133 114.554 0.359 0.000 2.889 3158 T HA 0.644 4.994 4.350 0.000 0.000 0.315 3158 T C -0.292 174.237 174.700 -0.285 0.000 1.291 3158 T CA -0.525 61.543 62.100 -0.053 0.000 1.028 3158 T CB 1.227 69.989 68.868 -0.177 0.000 1.235 3158 T HN 1.204 nan 8.240 nan 0.000 0.491 3159 G N -0.113 108.331 108.800 -0.594 0.000 2.420 3159 G HA2 0.580 4.540 3.960 0.000 0.000 0.284 3159 G HA3 0.580 4.540 3.960 0.000 0.000 0.284 3159 G C -1.577 172.802 174.900 -0.868 0.000 1.177 3159 G CA -0.850 43.852 45.100 -0.663 0.000 0.841 3159 G HN 0.697 nan 8.290 nan 0.000 0.527 3160 W N 0.509 121.685 121.300 -0.207 0.000 3.259 3160 W HA 0.418 5.078 4.660 0.000 0.000 0.331 3160 W C 0.693 177.125 176.519 -0.145 0.000 1.144 3160 W CA -0.955 56.303 57.345 -0.145 0.000 1.227 3160 W CB 2.203 31.601 29.460 -0.103 0.000 1.371 3160 W HN 0.486 nan 8.180 nan 0.000 0.491 3161 K N 1.977 122.420 120.400 0.071 0.000 2.400 3161 K HA 0.477 4.797 4.320 0.000 0.000 0.194 3161 K C 0.321 176.810 176.600 -0.185 0.000 1.033 3161 K CA 0.449 56.681 56.287 -0.092 0.000 1.021 3161 K CB 0.492 32.828 32.500 -0.273 0.000 0.808 3161 K HN 0.350 nan 8.250 nan 0.000 0.505 3162 A N 0.918 123.699 122.820 -0.064 0.000 2.596 3162 A HA 0.534 4.854 4.320 0.000 0.000 0.305 3162 A C -1.909 175.585 177.584 -0.151 0.000 1.032 3162 A CA -0.807 51.162 52.037 -0.114 0.000 0.776 3162 A CB 0.754 19.616 19.000 -0.230 0.000 1.253 3162 A HN 0.041 nan 8.150 nan 0.000 0.402 3163 I N 0.690 121.114 120.570 -0.243 0.000 3.149 3163 I HA 0.838 5.008 4.170 0.000 0.000 0.310 3163 I C -0.673 175.238 176.117 -0.343 0.000 1.343 3163 I CA 0.512 61.511 61.300 -0.501 0.000 0.955 3163 I CB 2.367 39.852 38.000 -0.857 0.000 1.309 3163 I HN 1.650 nan 8.210 nan 0.000 0.478 3164 S N 2.859 118.330 115.700 -0.382 0.000 2.537 3164 S HA 0.918 5.388 4.470 0.000 0.000 0.271 3164 S C -1.425 173.045 174.600 -0.216 0.000 1.148 3164 S CA -0.580 57.480 58.200 -0.233 0.000 0.868 3164 S CB 1.302 64.402 63.200 -0.167 0.000 1.115 3164 S HN 1.156 nan 8.310 nan 0.000 0.461 3165 V N -0.970 118.856 119.914 -0.147 0.000 3.007 3165 V HA 1.048 5.168 4.120 0.000 0.000 0.311 3165 V C 0.710 176.754 176.094 -0.084 0.000 1.120 3165 V CA 0.063 62.291 62.300 -0.119 0.000 0.980 3165 V CB 0.582 32.337 31.823 -0.113 0.000 1.033 3165 V HN 2.369 nan 8.190 nan 0.000 0.429 3166 G N 1.055 109.810 108.800 -0.075 0.000 2.526 3166 G HA2 0.428 4.388 3.960 0.000 0.000 0.250 3166 G HA3 0.428 4.388 3.960 0.000 0.000 0.250 3166 G C 0.076 174.949 174.900 -0.045 0.000 1.289 3166 G CA -0.038 45.030 45.100 -0.053 0.000 0.947 3166 G HN 2.250 nan 8.290 nan 0.000 0.517 3167 A N -0.412 122.396 122.820 -0.021 0.000 2.507 3167 A HA 0.508 4.828 4.320 0.000 0.000 0.235 3167 A C 1.320 178.893 177.584 -0.018 0.000 1.070 3167 A CA 1.354 53.387 52.037 -0.007 0.000 0.768 3167 A CB -0.552 18.464 19.000 0.026 0.000 1.011 3167 A HN 1.975 nan 8.150 nan 0.000 0.502 3168 N N -0.520 118.171 118.700 -0.015 0.000 2.708 3168 N HA -0.235 4.505 4.740 0.000 0.000 0.249 3168 N C 0.955 176.444 175.510 -0.035 0.000 1.097 3168 N CA 0.765 53.803 53.050 -0.020 0.000 0.710 3168 N CB -1.004 37.474 38.487 -0.014 0.000 1.032 3168 N HN 0.894 nan 8.380 nan 0.000 0.551 3169 T N -1.258 113.268 114.554 -0.046 0.000 2.668 3169 T HA -0.123 4.227 4.350 0.000 0.000 0.262 3169 T C 1.864 176.527 174.700 -0.063 0.000 1.045 3169 T CA 1.834 63.895 62.100 -0.066 0.000 1.152 3169 T CB -0.134 68.687 68.868 -0.079 0.000 0.864 3169 T HN 0.335 nan 8.240 nan 0.000 0.419 3170 S N -0.001 115.669 115.700 -0.050 0.000 2.440 3170 S HA -0.038 4.432 4.470 0.000 0.000 0.240 3170 S C 2.155 176.736 174.600 -0.032 0.000 1.014 3170 S CA 1.519 59.696 58.200 -0.039 0.000 0.980 3170 S CB -0.700 62.483 63.200 -0.029 0.000 0.775 3170 S HN 0.684 nan 8.310 nan 0.000 0.499 3171 A N 0.839 123.641 122.820 -0.030 0.000 1.861 3171 A HA 0.444 4.764 4.320 0.000 0.000 0.212 3171 A C 2.425 179.994 177.584 -0.025 0.000 1.199 3171 A CA 1.293 53.316 52.037 -0.022 0.000 0.613 3171 A CB -1.287 17.702 19.000 -0.018 0.000 0.846 3171 A HN 0.671 nan 8.150 nan 0.000 0.446 3172 A N -1.115 121.685 122.820 -0.034 0.000 1.969 3172 A HA -0.142 4.178 4.320 0.000 0.000 0.218 3172 A C 2.056 179.615 177.584 -0.042 0.000 1.169 3172 A CA 1.943 53.960 52.037 -0.034 0.000 0.635 3172 A CB -0.482 18.493 19.000 -0.042 0.000 0.810 3172 A HN 0.456 nan 8.150 nan 0.000 0.445 3173 Q N -0.138 119.626 119.800 -0.061 0.000 2.308 3173 Q HA -0.123 4.217 4.340 0.000 0.000 0.209 3173 Q C 1.804 177.785 176.000 -0.032 0.000 0.985 3173 Q CA 2.265 58.027 55.803 -0.069 0.000 0.881 3173 Q CB -0.729 27.959 28.738 -0.083 0.000 0.917 3173 Q HN 0.624 nan 8.270 nan 0.000 0.443 3174 T N -0.688 113.855 114.554 -0.019 0.000 2.901 3174 T HA 0.033 4.383 4.350 0.000 0.000 0.252 3174 T C 1.446 176.149 174.700 0.006 0.000 1.035 3174 T CA 0.748 62.846 62.100 -0.003 0.000 1.142 3174 T CB -0.015 68.851 68.868 -0.003 0.000 0.869 3174 T HN 0.144 nan 8.240 nan 0.000 0.442 3175 L N 0.923 122.148 121.223 0.004 0.000 2.141 3175 L HA 0.058 4.398 4.340 0.000 0.000 0.209 3175 L C 2.291 179.178 176.870 0.027 0.000 1.094 3175 L CA 1.154 56.002 54.840 0.014 0.000 0.763 3175 L CB -0.787 41.277 42.059 0.009 0.000 0.908 3175 L HN 0.201 nan 8.230 nan 0.000 0.437 3176 L N -0.877 120.357 121.223 0.019 0.000 2.017 3176 L HA -0.243 4.097 4.340 0.000 0.000 0.208 3176 L C 2.714 179.620 176.870 0.062 0.000 1.073 3176 L CA 1.361 56.222 54.840 0.035 0.000 0.745 3176 L CB -0.474 41.578 42.059 -0.012 0.000 0.894 3176 L HN 0.379 nan 8.230 nan 0.000 0.432 3177 Q N -0.430 119.390 119.800 0.034 0.000 2.297 3177 Q HA -0.245 4.095 4.340 0.000 0.000 0.208 3177 Q C 2.174 178.220 176.000 0.077 0.000 0.981 3177 Q CA 1.507 57.339 55.803 0.049 0.000 0.876 3177 Q CB 0.079 28.835 28.738 0.031 0.000 0.921 3177 Q HN 0.499 nan 8.270 nan 0.000 0.446 3178 M N -0.489 119.150 119.600 0.066 0.000 2.276 3178 M HA -0.073 4.407 4.480 0.000 0.000 0.262 3178 M C 0.796 177.138 176.300 0.070 0.000 1.098 3178 M CA 1.086 56.421 55.300 0.058 0.000 1.167 3178 M CB 0.432 33.054 32.600 0.038 0.000 1.337 3178 M HN 0.081 nan 8.290 nan 0.000 0.446 3179 D N -0.879 119.568 120.400 0.078 0.000 2.339 3179 D HA -0.007 4.633 4.640 0.000 0.000 0.217 3179 D C -0.241 176.109 176.300 0.084 0.000 1.050 3179 D CA 0.274 54.312 54.000 0.064 0.000 0.856 3179 D CB 0.019 40.848 40.800 0.047 0.000 0.922 3179 D HN 0.254 nan 8.370 nan 0.000 0.518 3180 Y N 2.155 122.463 120.300 0.013 0.000 2.377 3180 Y HA 0.164 4.714 4.550 0.000 0.000 0.330 3180 Y C 0.007 175.917 175.900 0.016 0.000 1.108 3180 Y CA -0.013 58.096 58.100 0.016 0.000 1.308 3180 Y CB 0.473 38.946 38.460 0.023 0.000 1.216 3180 Y HN -0.367 nan 8.280 nan 0.000 0.518 3181 K N 4.992 125.003 120.400 -0.647 0.000 2.422 3181 K HA 0.165 4.485 4.320 0.000 0.000 0.251 3181 K C -0.272 175.929 176.600 -0.664 0.000 0.933 3181 K CA -0.888 55.144 56.287 -0.425 0.000 0.798 3181 K CB 1.854 34.222 32.500 -0.219 0.000 1.238 3181 K HN 0.614 nan 8.250 nan 0.000 0.428 3182 D N 1.632 121.893 120.400 -0.231 0.000 2.178 3182 D HA -0.159 4.481 4.640 0.000 0.000 0.201 3182 D C 0.961 177.201 176.300 -0.100 0.000 0.980 3182 D CA 1.422 55.378 54.000 -0.072 0.000 0.842 3182 D CB 0.206 41.052 40.800 0.077 0.000 0.948 3182 D HN 0.628 nan 8.370 nan 0.000 0.472 3183 D N -0.200 120.133 120.400 -0.111 0.000 2.363 3183 D HA -0.118 4.522 4.640 0.000 0.000 0.226 3183 D C 1.117 177.356 176.300 -0.102 0.000 1.020 3183 D CA -0.154 53.800 54.000 -0.076 0.000 0.892 3183 D CB -0.291 40.477 40.800 -0.055 0.000 0.900 3183 D HN 0.204 nan 8.370 nan 0.000 0.531 3184 M N 1.037 120.528 119.600 -0.182 0.000 2.226 3184 M HA -0.088 4.392 4.480 0.000 0.000 0.352 3184 M C 0.550 176.792 176.300 -0.097 0.000 1.226 3184 M CA 0.457 55.652 55.300 -0.174 0.000 0.943 3184 M CB 0.702 33.124 32.600 -0.296 0.000 1.805 3184 M HN -0.248 nan 8.290 nan 0.000 0.465 3185 K N 2.339 122.696 120.400 -0.072 0.000 2.731 3185 K HA 0.292 4.612 4.320 0.000 0.000 0.284 3185 K C 0.538 177.109 176.600 -0.049 0.000 1.027 3185 K CA -0.240 56.016 56.287 -0.052 0.000 1.040 3185 K CB 0.586 33.065 32.500 -0.036 0.000 1.334 3185 K HN 0.588 nan 8.250 nan 0.000 0.498 3186 V N 0.293 120.183 119.914 -0.039 0.000 2.575 3186 V HA -0.072 4.048 4.120 0.000 0.000 0.242 3186 V C 1.132 177.232 176.094 0.009 0.000 1.045 3186 V CA 1.664 63.947 62.300 -0.029 0.000 1.065 3186 V CB -0.511 31.291 31.823 -0.035 0.000 0.717 3186 V HN 0.683 nan 8.190 nan 0.000 0.467 3187 D N 0.448 120.856 120.400 0.014 0.000 2.178 3187 D HA -0.157 4.483 4.640 0.000 0.000 0.202 3187 D C 1.752 178.064 176.300 0.020 0.000 0.974 3187 D CA 1.091 55.109 54.000 0.030 0.000 0.841 3187 D CB -0.129 40.685 40.800 0.022 0.000 0.953 3187 D HN 0.348 nan 8.370 nan 0.000 0.478 3188 D N 0.001 120.400 120.400 -0.001 0.000 2.178 3188 D HA -0.080 4.560 4.640 0.000 0.000 0.201 3188 D C 1.909 178.210 176.300 0.003 0.000 0.980 3188 D CA 0.884 54.877 54.000 -0.011 0.000 0.842 3188 D CB -0.107 40.670 40.800 -0.039 0.000 0.948 3188 D HN 0.211 nan 8.370 nan 0.000 0.472 3189 A N 0.409 123.237 122.820 0.013 0.000 2.081 3189 A HA -0.002 4.319 4.320 0.000 0.000 0.214 3189 A C 2.046 179.672 177.584 0.070 0.000 1.158 3189 A CA 0.120 52.181 52.037 0.040 0.000 0.724 3189 A CB -0.090 18.934 19.000 0.039 0.000 0.826 3189 A HN 0.065 nan 8.150 nan 0.000 0.463 3190 I N 0.476 121.098 120.570 0.086 0.000 2.286 3190 I HA -0.197 3.973 4.170 0.000 0.000 0.248 3190 I C 2.219 178.412 176.117 0.127 0.000 1.115 3190 I CA 1.378 62.778 61.300 0.166 0.000 1.392 3190 I CB -1.478 36.617 38.000 0.158 0.000 1.065 3190 I HN 0.460 nan 8.210 nan 0.000 0.418 3191 E N 0.861 121.097 120.200 0.060 0.000 2.015 3191 E HA -0.189 4.161 4.350 0.000 0.000 0.191 3191 E C 2.372 178.997 176.600 0.043 0.000 0.991 3191 E CA 0.734 57.152 56.400 0.031 0.000 0.802 3191 E CB -0.247 29.460 29.700 0.012 0.000 0.759 3191 E HN 0.322 nan 8.360 nan 0.000 0.447 3192 L N 0.762 122.013 121.223 0.046 0.000 2.103 3192 L HA -0.301 4.039 4.340 0.000 0.000 0.215 3192 L C 2.336 179.242 176.870 0.061 0.000 1.080 3192 L CA 1.393 56.265 54.840 0.053 0.000 0.764 3192 L CB -0.226 41.874 42.059 0.069 0.000 0.890 3192 L HN 0.149 nan 8.230 nan 0.000 0.435 3193 A N -0.397 122.474 122.820 0.084 0.000 1.855 3193 A HA -0.149 4.171 4.320 0.000 0.000 0.215 3193 A C 2.106 179.748 177.584 0.096 0.000 1.191 3193 A CA 1.433 53.528 52.037 0.096 0.000 0.613 3193 A CB -0.623 18.460 19.000 0.137 0.000 0.829 3193 A HN 0.439 nan 8.150 nan 0.000 0.442 3194 L N -0.848 120.431 121.223 0.093 0.000 1.988 3194 L HA -0.179 4.161 4.340 0.000 0.000 0.207 3194 L C 2.653 179.531 176.870 0.012 0.000 1.071 3194 L CA 1.460 56.317 54.840 0.029 0.000 0.744 3194 L CB -0.596 41.434 42.059 -0.048 0.000 0.893 3194 L HN 0.281 nan 8.230 nan 0.000 0.433 3195 K N 0.164 120.570 120.400 0.011 0.000 2.071 3195 K HA -0.257 4.063 4.320 0.000 0.000 0.217 3195 K C 1.937 178.542 176.600 0.009 0.000 1.054 3195 K CA 2.407 58.697 56.287 0.006 0.000 0.937 3195 K CB -0.643 31.863 32.500 0.011 0.000 0.719 3195 K HN 0.473 nan 8.250 nan 0.000 0.454 3196 T N -1.457 113.108 114.554 0.017 0.000 3.219 3196 T HA 0.073 4.423 4.350 0.000 0.000 0.249 3196 T C 1.209 175.914 174.700 0.008 0.000 1.099 3196 T CA 0.021 62.128 62.100 0.012 0.000 0.988 3196 T CB -0.017 68.860 68.868 0.015 0.000 0.999 3196 T HN -0.019 nan 8.240 nan 0.000 0.550 3197 L N 2.176 123.406 121.223 0.011 0.000 2.728 3197 L HA 0.345 4.685 4.340 0.000 0.000 0.235 3197 L C 2.232 179.101 176.870 -0.002 0.000 1.197 3197 L CA 0.074 54.917 54.840 0.006 0.000 0.992 3197 L CB -0.068 42.001 42.059 0.015 0.000 1.263 3197 L HN 0.441 nan 8.230 nan 0.000 0.484 3198 S N -0.508 115.190 115.700 -0.003 0.000 2.355 3198 S HA -0.225 4.245 4.470 0.000 0.000 0.210 3198 S C 1.942 176.539 174.600 -0.006 0.000 1.035 3198 S CA 1.208 59.404 58.200 -0.006 0.000 1.011 3198 S CB -0.292 62.905 63.200 -0.005 0.000 1.000 3198 S HN 0.419 nan 8.310 nan 0.000 0.423 3199 K N 1.352 121.749 120.400 -0.005 0.000 1.972 3199 K HA -0.168 4.152 4.320 0.000 0.000 0.227 3199 K C 1.367 177.962 176.600 -0.007 0.000 1.046 3199 K CA 2.177 58.461 56.287 -0.006 0.000 1.013 3199 K CB -1.383 31.114 32.500 -0.006 0.000 0.741 3199 K HN 0.645 nan 8.250 nan 0.000 0.446 3200 T N 0.455 115.004 114.554 -0.008 0.000 4.396 3200 T HA -0.009 4.341 4.350 0.000 0.000 0.254 3200 T C -0.513 174.182 174.700 -0.008 0.000 0.810 3200 T CA 0.204 62.298 62.100 -0.010 0.000 1.591 3200 T CB -1.123 67.737 68.868 -0.014 0.000 1.304 3200 T HN 0.217 nan 8.240 nan 0.000 0.650 3201 T N 1.242 115.792 114.554 -0.008 0.000 2.949 3201 T HA 0.286 4.636 4.350 0.000 0.000 0.300 3201 T C 0.018 174.713 174.700 -0.009 0.000 0.988 3201 T CA -0.840 61.255 62.100 -0.009 0.000 0.993 3201 T CB 1.771 70.633 68.868 -0.011 0.000 0.984 3201 T HN 0.071 nan 8.240 nan 0.000 0.442 3202 D N 1.353 121.748 120.400 -0.008 0.000 2.269 3202 D HA -0.017 4.623 4.640 0.000 0.000 0.208 3202 D C 1.159 177.451 176.300 -0.013 0.000 0.963 3202 D CA 0.817 54.811 54.000 -0.009 0.000 0.864 3202 D CB 0.215 41.011 40.800 -0.007 0.000 0.936 3202 D HN 0.467 nan 8.370 nan 0.000 0.505 3203 S N 0.492 116.183 115.700 -0.015 0.000 2.422 3203 S HA 0.157 4.627 4.470 0.000 0.000 0.283 3203 S C 0.031 174.619 174.600 -0.021 0.000 1.163 3203 S CA -0.544 57.644 58.200 -0.020 0.000 1.054 3203 S CB 0.090 63.275 63.200 -0.025 0.000 0.967 3203 S HN -0.100 nan 8.310 nan 0.000 0.499 3204 S N 4.395 120.083 115.700 -0.020 0.000 2.555 3204 S HA 0.464 4.934 4.470 0.000 0.000 0.293 3204 S C 0.295 174.881 174.600 -0.023 0.000 1.248 3204 S CA 0.394 58.582 58.200 -0.019 0.000 1.096 3204 S CB -0.351 62.838 63.200 -0.017 0.000 0.881 3204 S HN 1.719 nan 8.310 nan 0.000 0.498 3205 A N 2.744 125.550 122.820 -0.023 0.000 2.435 3205 A HA -0.100 4.220 4.320 0.000 0.000 0.686 3205 A C -0.812 176.751 177.584 -0.035 0.000 0.138 3205 A CA -0.700 51.320 52.037 -0.028 0.000 0.025 3205 A CB -1.078 17.905 19.000 -0.029 0.000 3.974 3205 A HN 0.761 nan 8.150 nan 0.000 0.548 3206 L N 3.917 125.119 121.223 -0.035 0.000 2.272 3206 L HA 0.772 5.112 4.340 0.000 0.000 0.289 3206 L C 0.905 177.745 176.870 -0.052 0.000 1.032 3206 L CA 1.088 55.904 54.840 -0.040 0.000 0.810 3206 L CB 1.551 43.592 42.059 -0.031 0.000 1.205 3206 L HN 1.194 nan 8.230 nan 0.000 0.422 3207 T N 0.752 115.261 114.554 -0.075 0.000 2.948 3207 T HA 0.252 4.602 4.350 0.000 0.000 0.285 3207 T C 0.954 175.600 174.700 -0.089 0.000 1.019 3207 T CA 0.003 62.028 62.100 -0.125 0.000 1.013 3207 T CB 0.650 69.384 68.868 -0.222 0.000 1.117 3207 T HN 0.560 nan 8.240 nan 0.000 0.533 3208 Y N 0.397 120.675 120.300 -0.037 0.000 2.439 3208 Y HA 0.001 4.551 4.550 0.000 0.000 0.292 3208 Y C 1.699 177.586 175.900 -0.022 0.000 1.130 3208 Y CA 1.045 59.120 58.100 -0.042 0.000 1.254 3208 Y CB -0.529 37.910 38.460 -0.035 0.000 1.000 3208 Y HN 0.620 nan 8.280 nan 0.000 0.554 3209 D N 0.398 120.655 120.400 -0.239 0.000 2.305 3209 D HA -0.081 4.559 4.640 0.000 0.000 0.206 3209 D C 1.470 177.754 176.300 -0.028 0.000 0.974 3209 D CA 0.266 54.215 54.000 -0.084 0.000 0.871 3209 D CB -0.483 40.160 40.800 -0.261 0.000 0.947 3209 D HN 0.377 nan 8.370 nan 0.000 0.516 3210 R N 0.112 120.581 120.500 -0.052 0.000 2.319 3210 R HA 0.291 4.631 4.340 0.000 0.000 0.204 3210 R C 0.313 176.621 176.300 0.013 0.000 0.954 3210 R CA 0.023 56.110 56.100 -0.021 0.000 1.066 3210 R CB 0.430 30.708 30.300 -0.036 0.000 0.991 3210 R HN 0.244 nan 8.270 nan 0.000 0.486 3211 L N -0.244 121.004 121.223 0.041 0.000 2.301 3211 L HA 0.467 4.807 4.340 0.000 0.000 0.264 3211 L C -0.544 176.384 176.870 0.097 0.000 1.016 3211 L CA -0.745 54.134 54.840 0.065 0.000 0.821 3211 L CB 2.405 44.489 42.059 0.042 0.000 1.346 3211 L HN -0.059 nan 8.230 nan 0.000 0.429 3212 E N 0.542 120.820 120.200 0.131 0.000 2.335 3212 E HA 0.491 4.841 4.350 0.000 0.000 0.280 3212 E C -2.033 174.714 176.600 0.244 0.000 0.918 3212 E CA -0.469 56.020 56.400 0.148 0.000 0.765 3212 E CB 2.543 32.289 29.700 0.076 0.000 1.218 3212 E HN 0.292 nan 8.360 nan 0.000 0.425 3213 F N 1.613 121.566 119.950 0.005 0.000 2.643 3213 F HA 0.869 5.396 4.527 0.000 0.000 0.314 3213 F C -1.249 174.617 175.800 0.111 0.000 1.096 3213 F CA -0.200 57.753 58.000 -0.078 0.000 0.953 3213 F CB 2.300 41.048 39.000 -0.420 0.000 1.345 3213 F HN 0.534 nan 8.300 nan 0.000 0.468 3214 A N 1.108 123.843 122.820 -0.141 0.000 2.594 3214 A HA 0.694 5.014 4.320 0.000 0.000 0.296 3214 A C -1.301 176.317 177.584 0.055 0.000 1.061 3214 A CA -0.163 51.953 52.037 0.131 0.000 0.689 3214 A CB 1.438 20.470 19.000 0.053 0.000 1.280 3214 A HN 1.021 nan 8.150 nan 0.000 0.406 3215 T N -1.035 113.660 114.554 0.235 0.000 2.916 3215 T HA 0.730 5.080 4.350 0.000 0.000 0.305 3215 T C -0.936 173.854 174.700 0.150 0.000 1.119 3215 T CA -0.457 61.746 62.100 0.171 0.000 1.008 3215 T CB 1.103 70.138 68.868 0.278 0.000 1.129 3215 T HN 0.704 nan 8.240 nan 0.000 0.480 3216 I N 3.169 123.812 120.570 0.122 0.000 2.502 3216 I HA 0.375 4.545 4.170 0.000 0.000 0.276 3216 I C 0.506 176.711 176.117 0.147 0.000 1.057 3216 I CA -0.868 60.536 61.300 0.173 0.000 1.163 3216 I CB 0.868 39.009 38.000 0.236 0.000 1.288 3216 I HN 0.514 nan 8.210 nan 0.000 0.479 3217 R N 3.386 123.968 120.500 0.137 0.000 2.606 3217 R HA 0.447 4.787 4.340 0.000 0.000 0.249 3217 R C 0.159 176.542 176.300 0.137 0.000 1.127 3217 R CA -1.069 55.071 56.100 0.067 0.000 1.133 3217 R CB 1.069 31.397 30.300 0.048 0.000 1.243 3217 R HN 0.176 nan 8.270 nan 0.000 0.558 3218 K N 0.420 120.873 120.400 0.088 0.000 3.025 3218 K HA 0.101 4.421 4.320 0.000 0.000 0.260 3218 K C -0.214 176.433 176.600 0.078 0.000 1.023 3218 K CA 0.533 56.881 56.287 0.102 0.000 1.194 3218 K CB -0.518 32.024 32.500 0.069 0.000 1.094 3218 K HN 0.820 nan 8.250 nan 0.000 0.460 3219 G N -0.577 108.292 108.800 0.116 0.000 2.731 3219 G HA2 -0.207 3.753 3.960 0.000 0.000 0.686 3219 G HA3 -0.207 3.753 3.960 0.000 0.000 0.686 3219 G C 0.278 175.128 174.900 -0.082 0.000 1.395 3219 G CA -0.537 44.645 45.100 0.138 0.000 0.870 3219 G HN 0.273 nan 8.290 nan 0.000 0.591 3220 A N 0.740 123.317 122.820 -0.406 0.000 2.276 3220 A HA 0.401 4.721 4.320 0.000 0.000 0.212 3220 A C 1.417 178.871 177.584 -0.217 0.000 1.230 3220 A CA 1.662 53.447 52.037 -0.421 0.000 0.844 3220 A CB -0.304 18.246 19.000 -0.750 0.000 0.860 3220 A HN 0.854 nan 8.150 nan 0.000 0.486 3221 N N -2.003 116.638 118.700 -0.098 0.000 2.951 3221 N HA 0.048 4.788 4.740 0.000 0.000 0.319 3221 N C -0.385 175.131 175.510 0.010 0.000 0.803 3221 N CA 0.364 53.398 53.050 -0.027 0.000 1.448 3221 N CB 0.519 39.014 38.487 0.012 0.000 1.136 3221 N HN 0.363 nan 8.380 nan 0.000 1.433 3222 D N -0.622 119.805 120.400 0.044 0.000 2.466 3222 D HA 0.333 4.973 4.640 0.000 0.000 0.271 3222 D C 0.229 176.555 176.300 0.043 0.000 1.193 3222 D CA -0.566 53.460 54.000 0.044 0.000 1.103 3222 D CB 0.077 40.911 40.800 0.057 0.000 1.184 3222 D HN 0.194 nan 8.370 nan 0.000 0.593 3223 G N -0.550 108.276 108.800 0.043 0.000 3.286 3223 G HA2 0.426 4.386 3.960 0.000 0.000 0.303 3223 G HA3 0.426 4.386 3.960 0.000 0.000 0.303 3223 G C -0.468 174.461 174.900 0.049 0.000 0.974 3223 G CA -0.122 45.001 45.100 0.039 0.000 1.635 3223 G HN 0.310 nan 8.290 nan 0.000 0.535 3224 E N 0.322 120.557 120.200 0.058 0.000 2.151 3224 E HA 0.563 4.913 4.350 0.000 0.000 0.197 3224 E C -1.507 175.137 176.600 0.073 0.000 1.085 3224 E CA -0.630 55.813 56.400 0.072 0.000 0.873 3224 E CB 1.750 31.506 29.700 0.095 0.000 2.021 3224 E HN 0.037 nan 8.360 nan 0.000 0.468 3225 V N 1.943 121.924 119.914 0.112 0.000 2.501 3225 V HA 0.311 4.431 4.120 0.000 0.000 0.277 3225 V C -1.459 174.729 176.094 0.156 0.000 1.004 3225 V CA -0.534 61.843 62.300 0.129 0.000 0.862 3225 V CB 0.793 32.684 31.823 0.113 0.000 1.035 3225 V HN 0.502 nan 8.190 nan 0.000 0.448 3226 Y N 2.837 123.171 120.300 0.058 0.000 2.304 3226 Y HA 0.469 5.019 4.550 0.000 0.000 0.327 3226 Y C 0.590 176.528 175.900 0.064 0.000 1.209 3226 Y CA 0.396 58.526 58.100 0.049 0.000 1.299 3226 Y CB 1.201 39.678 38.460 0.028 0.000 1.249 3226 Y HN 0.528 nan 8.280 nan 0.000 0.519 3227 Q N 3.192 123.079 119.800 0.145 0.000 2.377 3227 Q HA 0.419 4.759 4.340 0.000 0.000 0.271 3227 Q C -1.484 174.588 176.000 0.121 0.000 1.077 3227 Q CA -1.058 54.823 55.803 0.130 0.000 0.820 3227 Q CB 1.677 30.466 28.738 0.086 0.000 1.347 3227 Q HN 0.623 nan 8.270 nan 0.000 0.444 3228 K N 4.450 124.918 120.400 0.113 0.000 2.740 3228 K HA 0.354 4.674 4.320 0.000 0.000 0.246 3228 K C -1.364 175.299 176.600 0.105 0.000 1.021 3228 K CA -0.264 56.054 56.287 0.051 0.000 1.021 3228 K CB 0.806 33.286 32.500 -0.034 0.000 1.233 3228 K HN 0.619 nan 8.250 nan 0.000 0.497 3229 I N 4.651 125.279 120.570 0.097 0.000 2.352 3229 I HA 0.165 4.335 4.170 0.000 0.000 0.290 3229 I C -0.076 176.145 176.117 0.173 0.000 1.036 3229 I CA -0.564 60.842 61.300 0.176 0.000 1.336 3229 I CB 0.292 38.358 38.000 0.110 0.000 1.407 3229 I HN 0.393 nan 8.210 nan 0.000 0.497 3230 F N 6.429 126.446 119.950 0.113 0.000 2.538 3230 F HA 0.117 4.644 4.527 0.000 0.000 0.371 3230 F C 0.942 176.778 175.800 0.060 0.000 1.087 3230 F CA 0.005 58.068 58.000 0.105 0.000 1.250 3230 F CB 0.191 39.291 39.000 0.167 0.000 1.110 3230 F HN 0.331 nan 8.300 nan 0.000 0.570 3231 K N 5.685 126.155 120.400 0.117 0.000 2.237 3231 K HA 0.135 4.455 4.320 0.000 0.000 0.270 3231 K C -1.619 175.023 176.600 0.070 0.000 1.015 3231 K CA -1.306 55.022 56.287 0.068 0.000 0.949 3231 K CB 0.445 32.949 32.500 0.006 0.000 0.976 3231 K HN 0.239 nan 8.250 nan 0.000 0.472 3232 P HA -0.311 nan 4.420 nan 0.000 0.219 3232 P C 1.224 178.407 177.300 -0.195 0.000 1.161 3232 P CA 1.463 64.533 63.100 -0.050 0.000 0.909 3232 P CB 0.229 31.890 31.700 -0.065 0.000 0.793 3233 Q N 0.387 120.073 119.800 -0.189 0.000 2.096 3233 Q HA -0.223 4.117 4.340 0.000 0.000 0.204 3233 Q C 1.925 177.865 176.000 -0.101 0.000 0.982 3233 Q CA 1.922 57.603 55.803 -0.203 0.000 0.850 3233 Q CB -0.987 27.672 28.738 -0.131 0.000 0.901 3233 Q HN 0.344 nan 8.270 nan 0.000 0.422 3234 E N -0.521 119.678 120.200 -0.002 0.000 2.265 3234 E HA -0.124 4.226 4.350 0.000 0.000 0.196 3234 E C 1.882 178.585 176.600 0.171 0.000 0.996 3234 E CA 1.030 57.495 56.400 0.107 0.000 0.832 3234 E CB -0.097 29.687 29.700 0.140 0.000 0.756 3234 E HN 0.484 nan 8.360 nan 0.000 0.491 3235 I N 1.054 121.673 120.570 0.082 0.000 2.235 3235 I HA -0.195 3.975 4.170 0.000 0.000 0.241 3235 I C 2.495 178.567 176.117 -0.076 0.000 1.085 3235 I CA 0.725 61.990 61.300 -0.059 0.000 1.378 3235 I CB -0.233 37.741 38.000 -0.043 0.000 1.076 3235 I HN -0.056 nan 8.210 nan 0.000 0.415 3236 K N 0.965 121.318 120.400 -0.078 0.000 2.442 3236 K HA -0.212 4.108 4.320 0.000 0.000 0.199 3236 K C 1.013 177.591 176.600 -0.037 0.000 1.044 3236 K CA 1.446 57.711 56.287 -0.036 0.000 0.941 3236 K CB -0.139 32.257 32.500 -0.173 0.000 0.759 3236 K HN 0.314 nan 8.250 nan 0.000 0.472 3237 D N 0.023 120.398 120.400 -0.043 0.000 2.216 3237 D HA -0.044 4.596 4.640 0.000 0.000 0.208 3237 D C 1.666 177.951 176.300 -0.025 0.000 0.960 3237 D CA 0.476 54.462 54.000 -0.022 0.000 0.861 3237 D CB 0.100 40.899 40.800 -0.003 0.000 0.985 3237 D HN 0.153 nan 8.370 nan 0.000 0.493 3238 I N 0.263 120.802 120.570 -0.052 0.000 3.030 3238 I HA -0.049 4.121 4.170 0.000 0.000 0.270 3238 I C 1.758 177.799 176.117 -0.127 0.000 1.211 3238 I CA 0.351 61.596 61.300 -0.091 0.000 1.479 3238 I CB 0.226 38.136 38.000 -0.150 0.000 1.105 3238 I HN -0.135 nan 8.210 nan 0.000 0.447 3239 L N -0.394 120.753 121.223 -0.127 0.000 2.131 3239 L HA -0.151 4.189 4.340 0.000 0.000 0.210 3239 L C 2.444 179.284 176.870 -0.050 0.000 1.092 3239 L CA 1.424 56.208 54.840 -0.093 0.000 0.759 3239 L CB -0.638 41.392 42.059 -0.048 0.000 0.903 3239 L HN 0.060 nan 8.230 nan 0.000 0.435 3240 V N -0.897 118.996 119.914 -0.035 0.000 2.469 3240 V HA -0.337 3.783 4.120 0.000 0.000 0.251 3240 V C 2.526 178.606 176.094 -0.023 0.000 1.064 3240 V CA 1.504 63.791 62.300 -0.020 0.000 1.066 3240 V CB -0.411 31.403 31.823 -0.015 0.000 0.667 3240 V HN 0.391 nan 8.190 nan 0.000 0.461 3241 K N -0.617 119.765 120.400 -0.031 0.000 2.211 3241 K HA -0.102 4.218 4.320 0.000 0.000 0.204 3241 K C 1.546 178.132 176.600 -0.023 0.000 1.047 3241 K CA 1.949 58.221 56.287 -0.025 0.000 0.935 3241 K CB -0.107 32.376 32.500 -0.028 0.000 0.728 3241 K HN 0.681 nan 8.250 nan 0.000 0.452 3242 T N -4.003 110.534 114.554 -0.028 0.000 3.759 3242 T HA 0.111 4.461 4.350 0.000 0.000 0.245 3242 T C 1.451 176.138 174.700 -0.023 0.000 0.867 3242 T CA -0.055 62.032 62.100 -0.022 0.000 1.116 3242 T CB -1.161 67.696 68.868 -0.019 0.000 1.028 3242 T HN 0.126 nan 8.240 nan 0.000 0.381 3243 G N 3.302 112.084 108.800 -0.030 0.000 3.889 3243 G HA2 -0.250 3.710 3.960 0.000 0.000 0.260 3243 G HA3 -0.250 3.710 3.960 0.000 0.000 0.260 3243 G C 0.329 175.216 174.900 -0.022 0.000 0.899 3243 G CA 1.520 46.602 45.100 -0.030 0.000 0.756 3243 G HN 0.606 nan 8.290 nan 0.000 1.407 3244 I N 0.386 120.945 120.570 -0.018 0.000 2.846 3244 I HA 0.550 4.720 4.170 0.000 0.000 0.307 3244 I C 0.213 176.329 176.117 -0.001 0.000 1.053 3244 I CA -0.362 60.933 61.300 -0.009 0.000 1.050 3244 I CB 2.517 40.512 38.000 -0.008 0.000 1.239 3244 I HN 0.579 nan 8.210 nan 0.000 0.439 3245 T N 0.000 114.555 114.554 0.002 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 0.004 0.000 1.349 3245 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 3245 T HN 0.000 nan 8.240 nan 0.000 0.658