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 2e4a_1_D DATA FIRST_RESID 3001 DATA SEQUENCE MRVVVIGAGV IGLSTALCIH ERYHSVLQPL DIKVYADRFT PLTTTDVAAG DATA SEQUENCE LWQPYLSDPN NPQEADWSQQ TFDYLLSHVH SPNAENLGLF LISGYNLFHE DATA SEQUENCE AIPDPSWKDT VLGFRKLTPR ELDMFPDYGY GWFHTSLILE GKNYLQWLTE DATA SEQUENCE RLTERGVKFF QRKVESFEEV AREGADVIVN CTGVWAGALQ RDPLLQPGRG DATA SEQUENCE QIMKVDAPWM KHFILTHDPE RGIYNSPYII PGTQTVTLGG IFQLGNWSEL DATA SEQUENCE NNIQDHNTIW EGCCRLEPTL KNARIIGERT GFRPVRPQIR LEREQLRTGP DATA SEQUENCE SNTEVIHNYG HGGYGLTIHW GCALEAAKLF GRILEEKKLS 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 3001 M HA 0.000 nan 4.480 nan 0.000 0.227 3001 M C 0.000 176.333 176.300 0.055 0.000 1.140 3001 M CA 0.000 55.325 55.300 0.041 0.000 0.988 3001 M CB 0.000 32.635 32.600 0.058 0.000 1.302 3002 R N 3.279 123.802 120.500 0.038 0.000 2.207 3002 R HA 0.646 4.986 4.340 -0.000 0.000 0.334 3002 R C -1.217 175.096 176.300 0.021 0.000 1.013 3002 R CA -0.689 55.424 56.100 0.022 0.000 0.858 3002 R CB 1.528 31.833 30.300 0.008 0.000 1.094 3002 R HN 0.430 nan 8.270 nan 0.000 0.457 3003 V N 4.450 124.364 119.914 -0.001 0.000 2.384 3003 V HA 0.269 4.389 4.120 -0.000 0.000 0.287 3003 V C -0.105 175.926 176.094 -0.104 0.000 1.020 3003 V CA -0.793 61.491 62.300 -0.027 0.000 0.850 3003 V CB 1.945 33.730 31.823 -0.063 0.000 0.987 3003 V HN 0.444 nan 8.190 nan 0.000 0.436 3004 V N 6.007 125.851 119.914 -0.117 0.000 2.357 3004 V HA 0.392 4.511 4.120 -0.000 0.000 0.284 3004 V C -0.096 175.909 176.094 -0.149 0.000 1.018 3004 V CA -0.534 61.637 62.300 -0.215 0.000 0.841 3004 V CB 1.922 33.572 31.823 -0.288 0.000 0.991 3004 V HN 0.609 nan 8.190 nan 0.000 0.437 3005 V N 7.081 126.898 119.914 -0.162 0.000 2.350 3005 V HA 0.432 4.551 4.120 -0.000 0.000 0.276 3005 V C 0.066 176.142 176.094 -0.030 0.000 1.028 3005 V CA -0.309 61.945 62.300 -0.077 0.000 0.860 3005 V CB 1.401 33.176 31.823 -0.080 0.000 0.990 3005 V HN 0.661 nan 8.190 nan 0.000 0.453 3006 I N 4.808 125.406 120.570 0.047 0.000 2.325 3006 I HA 0.720 4.890 4.170 -0.000 0.000 0.291 3006 I C 0.754 176.923 176.117 0.087 0.000 1.019 3006 I CA 0.021 61.382 61.300 0.102 0.000 1.302 3006 I CB 1.082 39.176 38.000 0.156 0.000 1.401 3006 I HN 0.819 nan 8.210 nan 0.000 0.485 3007 G N 4.348 113.175 108.800 0.046 0.000 3.226 3007 G HA2 0.189 4.149 3.960 -0.000 0.000 0.685 3007 G HA3 0.189 4.149 3.960 -0.000 0.000 0.685 3007 G C -0.447 174.447 174.900 -0.010 0.000 1.207 3007 G CA -0.332 44.775 45.100 0.013 0.000 0.877 3007 G HN 0.924 nan 8.290 nan 0.000 0.585 3008 A N 1.367 124.128 122.820 -0.097 0.000 2.701 3008 A HA 0.796 5.115 4.320 -0.000 0.000 0.297 3008 A C 1.295 178.872 177.584 -0.012 0.000 1.197 3008 A CA 1.126 53.130 52.037 -0.055 0.000 0.963 3008 A CB -0.072 18.760 19.000 -0.279 0.000 1.175 3008 A HN 2.089 nan 8.150 nan 0.000 0.531 3009 G N -1.403 107.406 108.800 0.014 0.000 2.510 3009 G HA2 0.358 4.318 3.960 -0.000 0.000 0.280 3009 G HA3 0.358 4.318 3.960 -0.000 0.000 0.280 3009 G C 1.139 176.063 174.900 0.039 0.000 1.386 3009 G CA 0.366 45.487 45.100 0.036 0.000 1.047 3009 G HN 0.421 nan 8.290 nan 0.000 0.527 3010 V N -0.104 119.829 119.914 0.032 0.000 2.324 3010 V HA -0.162 3.958 4.120 -0.000 0.000 0.250 3010 V C 2.620 178.746 176.094 0.053 0.000 1.060 3010 V CA 1.679 64.000 62.300 0.035 0.000 1.042 3010 V CB -0.527 31.288 31.823 -0.013 0.000 0.650 3010 V HN 0.516 nan 8.190 nan 0.000 0.450 3011 I N 0.790 121.360 120.570 0.001 0.000 2.163 3011 I HA -0.078 4.092 4.170 -0.000 0.000 0.240 3011 I C 2.777 178.910 176.117 0.026 0.000 1.081 3011 I CA 1.785 63.073 61.300 -0.021 0.000 1.353 3011 I CB -2.236 35.683 38.000 -0.135 0.000 1.054 3011 I HN 0.396 nan 8.210 nan 0.000 0.407 3012 G N 1.524 110.347 108.800 0.038 0.000 2.491 3012 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 3012 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 3012 G C 1.834 176.759 174.900 0.041 0.000 1.180 3012 G CA 0.774 45.900 45.100 0.043 0.000 0.774 3012 G HN 0.312 nan 8.290 nan 0.000 0.562 3013 L N 1.193 122.456 121.223 0.066 0.000 2.027 3013 L HA -0.080 4.260 4.340 -0.000 0.000 0.206 3013 L C 3.400 180.311 176.870 0.068 0.000 1.074 3013 L CA 1.542 56.427 54.840 0.076 0.000 0.745 3013 L CB -0.609 41.502 42.059 0.088 0.000 0.898 3013 L HN 0.475 nan 8.230 nan 0.000 0.433 3014 S N -1.086 114.686 115.700 0.120 0.000 2.356 3014 S HA -0.198 4.272 4.470 -0.000 0.000 0.223 3014 S C 1.964 176.600 174.600 0.060 0.000 1.032 3014 S CA 1.735 60.066 58.200 0.220 0.000 1.005 3014 S CB -0.925 62.554 63.200 0.465 0.000 0.867 3014 S HN 0.347 nan 8.310 nan 0.000 0.449 3015 T N 2.942 117.493 114.554 -0.005 0.000 2.665 3015 T HA -0.031 4.319 4.350 -0.000 0.000 0.268 3015 T C 2.213 176.856 174.700 -0.096 0.000 1.035 3015 T CA 1.660 63.709 62.100 -0.086 0.000 1.151 3015 T CB -0.989 67.839 68.868 -0.067 0.000 0.862 3015 T HN 0.668 nan 8.240 nan 0.000 0.438 3016 A N 0.885 123.665 122.820 -0.068 0.000 1.933 3016 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 3016 A C 2.267 179.806 177.584 -0.076 0.000 1.175 3016 A CA 1.336 53.314 52.037 -0.097 0.000 0.628 3016 A CB -0.753 18.185 19.000 -0.102 0.000 0.814 3016 A HN 0.437 nan 8.150 nan 0.000 0.444 3017 L N -0.769 120.432 121.223 -0.038 0.000 2.056 3017 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 3017 L C 2.523 179.397 176.870 0.006 0.000 1.078 3017 L CA 2.049 56.885 54.840 -0.006 0.000 0.749 3017 L CB -0.611 41.485 42.059 0.062 0.000 0.901 3017 L HN 0.436 nan 8.230 nan 0.000 0.433 3018 C N -0.217 119.040 119.300 -0.071 0.000 2.413 3018 C HA -0.169 4.291 4.460 -0.000 0.000 0.277 3018 C C 2.682 177.593 174.990 -0.132 0.000 1.228 3018 C CA 1.158 60.075 59.018 -0.168 0.000 1.731 3018 C CB -0.863 26.661 27.740 -0.359 0.000 2.042 3018 C HN 0.596 nan 8.230 nan 0.000 0.468 3019 I N -0.310 120.184 120.570 -0.128 0.000 2.194 3019 I HA -0.291 3.879 4.170 -0.000 0.000 0.246 3019 I C 2.717 178.803 176.117 -0.052 0.000 1.093 3019 I CA 1.842 63.072 61.300 -0.117 0.000 1.355 3019 I CB -0.738 37.043 38.000 -0.366 0.000 1.046 3019 I HN 0.561 nan 8.210 nan 0.000 0.413 3020 H N 1.585 120.571 119.070 -0.141 0.000 2.299 3020 H HA -0.205 4.351 4.556 -0.000 0.000 0.302 3020 H C 2.160 177.389 175.328 -0.165 0.000 1.078 3020 H CA 2.095 58.065 56.048 -0.131 0.000 1.323 3020 H CB -0.028 29.631 29.762 -0.171 0.000 1.381 3020 H HN 0.525 nan 8.280 nan 0.000 0.498 3021 E N 0.440 120.616 120.200 -0.041 0.000 2.160 3021 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 3021 E C 2.299 178.881 176.600 -0.030 0.000 0.991 3021 E CA 1.342 57.697 56.400 -0.074 0.000 0.810 3021 E CB -0.241 29.481 29.700 0.037 0.000 0.742 3021 E HN 0.220 nan 8.360 nan 0.000 0.466 3022 R N -0.905 119.492 120.500 -0.171 0.000 2.254 3022 R HA 0.029 4.369 4.340 -0.000 0.000 0.195 3022 R C 0.303 176.258 176.300 -0.575 0.000 0.957 3022 R CA 0.787 56.625 56.100 -0.436 0.000 1.024 3022 R CB 0.218 30.083 30.300 -0.724 0.000 0.952 3022 R HN 0.256 nan 8.270 nan 0.000 0.484 3023 Y N -1.701 118.663 120.300 0.106 0.000 2.767 3023 Y HA 0.178 4.728 4.550 -0.000 0.000 0.254 3023 Y C 0.867 176.800 175.900 0.056 0.000 1.133 3023 Y CA -0.448 57.710 58.100 0.096 0.000 1.225 3023 Y CB -0.202 38.374 38.460 0.193 0.000 1.312 3023 Y HN 0.279 nan 8.280 nan 0.000 0.560 3024 H N -2.336 116.671 119.070 -0.105 0.000 2.428 3024 H HA -0.042 4.514 4.556 -0.000 0.000 0.296 3024 H C 2.093 177.385 175.328 -0.060 0.000 1.062 3024 H CA 1.268 57.209 56.048 -0.178 0.000 1.350 3024 H CB -0.098 29.389 29.762 -0.459 0.000 1.403 3024 H HN 0.121 nan 8.280 nan 0.000 0.533 3025 S N 1.283 116.680 115.700 -0.505 0.000 2.387 3025 S HA -0.146 4.324 4.470 -0.000 0.000 0.226 3025 S C 2.194 176.723 174.600 -0.119 0.000 1.026 3025 S CA 1.018 59.001 58.200 -0.362 0.000 0.972 3025 S CB -0.686 62.286 63.200 -0.380 0.000 0.814 3025 S HN 0.475 nan 8.310 nan 0.000 0.477 3026 V N -1.573 118.325 119.914 -0.027 0.000 2.725 3026 V HA 0.407 4.527 4.120 -0.000 0.000 0.247 3026 V C 0.590 176.705 176.094 0.034 0.000 1.058 3026 V CA 0.166 62.484 62.300 0.030 0.000 1.080 3026 V CB -0.874 31.008 31.823 0.098 0.000 0.713 3026 V HN 0.324 nan 8.190 nan 0.000 0.465 3027 L N 2.474 123.730 121.223 0.055 0.000 2.277 3027 L HA 0.409 4.749 4.340 -0.000 0.000 0.284 3027 L C 1.480 178.370 176.870 0.033 0.000 1.028 3027 L CA -0.074 54.793 54.840 0.045 0.000 0.835 3027 L CB 1.746 43.850 42.059 0.075 0.000 1.215 3027 L HN 0.254 nan 8.230 nan 0.000 0.425 3028 Q N 3.497 123.307 119.800 0.018 0.000 2.002 3028 Q HA -0.047 4.293 4.340 -0.000 0.000 0.204 3028 Q C -1.281 174.736 176.000 0.029 0.000 0.988 3028 Q CA 1.002 56.815 55.803 0.016 0.000 0.843 3028 Q CB -1.789 26.955 28.738 0.009 0.000 0.908 3028 Q HN 0.435 nan 8.270 nan 0.000 0.420 3029 P HA 0.344 nan 4.420 nan 0.000 0.273 3029 P C -1.204 176.127 177.300 0.051 0.000 1.531 3029 P CA -0.292 62.830 63.100 0.037 0.000 1.027 3029 P CB 0.307 32.024 31.700 0.028 0.000 1.387 3030 L N 3.448 124.709 121.223 0.063 0.000 2.313 3030 L HA 0.399 4.739 4.340 -0.000 0.000 0.273 3030 L C -0.607 176.304 176.870 0.068 0.000 1.028 3030 L CA 0.030 54.917 54.840 0.077 0.000 0.871 3030 L CB 0.380 42.490 42.059 0.085 0.000 1.242 3030 L HN 0.189 nan 8.230 nan 0.000 0.434 3031 D N 6.202 126.632 120.400 0.051 0.000 2.329 3031 D HA 0.369 5.009 4.640 -0.000 0.000 0.232 3031 D C -0.407 175.893 176.300 -0.000 0.000 1.088 3031 D CA -0.040 53.979 54.000 0.033 0.000 0.835 3031 D CB 1.661 42.479 40.800 0.030 0.000 1.078 3031 D HN 0.399 nan 8.370 nan 0.000 0.495 3032 I N 2.280 122.837 120.570 -0.021 0.000 2.377 3032 I HA 0.296 4.466 4.170 -0.000 0.000 0.293 3032 I C 0.209 176.253 176.117 -0.121 0.000 0.987 3032 I CA -0.534 60.715 61.300 -0.085 0.000 1.185 3032 I CB 1.516 39.456 38.000 -0.099 0.000 1.341 3032 I HN -0.085 nan 8.210 nan 0.000 0.455 3033 K N 4.754 125.061 120.400 -0.155 0.000 2.471 3033 K HA 0.565 4.885 4.320 -0.000 0.000 0.252 3033 K C -1.381 175.077 176.600 -0.237 0.000 0.938 3033 K CA -0.607 55.593 56.287 -0.146 0.000 0.796 3033 K CB 2.450 34.898 32.500 -0.086 0.000 1.161 3033 K HN 0.287 nan 8.250 nan 0.000 0.425 3034 V N 5.024 124.834 119.914 -0.174 0.000 2.364 3034 V HA 0.250 4.370 4.120 -0.000 0.000 0.272 3034 V C -0.823 175.472 176.094 0.335 0.000 1.036 3034 V CA -0.633 61.644 62.300 -0.038 0.000 0.880 3034 V CB 0.103 31.871 31.823 -0.092 0.000 0.991 3034 V HN 0.554 nan 8.190 nan 0.000 0.460 3035 Y N 3.306 123.711 120.300 0.175 0.000 2.326 3035 Y HA 0.782 5.331 4.550 -0.000 0.000 0.337 3035 Y C 0.423 176.360 175.900 0.062 0.000 1.023 3035 Y CA -1.344 56.869 58.100 0.189 0.000 1.143 3035 Y CB 1.577 40.103 38.460 0.110 0.000 1.183 3035 Y HN 0.715 nan 8.280 nan 0.000 0.485 3036 A N 1.901 124.819 122.820 0.162 0.000 2.572 3036 A HA 0.486 4.806 4.320 -0.000 0.000 0.295 3036 A C -0.007 177.482 177.584 -0.157 0.000 1.072 3036 A CA -0.516 51.393 52.037 -0.215 0.000 0.691 3036 A CB 1.051 19.603 19.000 -0.748 0.000 1.291 3036 A HN 0.732 nan 8.150 nan 0.000 0.404 3037 D N 0.053 120.344 120.400 -0.182 0.000 2.367 3037 D HA 0.139 4.779 4.640 -0.000 0.000 0.207 3037 D C 0.462 176.696 176.300 -0.111 0.000 1.034 3037 D CA 0.551 54.490 54.000 -0.103 0.000 0.861 3037 D CB 0.225 40.946 40.800 -0.132 0.000 0.943 3037 D HN 0.434 nan 8.370 nan 0.000 0.515 3038 R N -0.565 119.788 120.500 -0.244 0.000 2.686 3038 R HA 0.547 4.886 4.340 -0.000 0.000 0.286 3038 R C -1.297 174.825 176.300 -0.297 0.000 0.969 3038 R CA -0.731 55.270 56.100 -0.165 0.000 0.898 3038 R CB 1.621 31.814 30.300 -0.178 0.000 1.183 3038 R HN -0.017 nan 8.270 nan 0.000 0.456 3039 F N -0.863 119.071 119.950 -0.027 0.000 2.712 3039 F HA 0.262 4.789 4.527 -0.000 0.000 0.367 3039 F C 1.646 177.425 175.800 -0.036 0.000 1.132 3039 F CA -0.511 57.470 58.000 -0.031 0.000 1.066 3039 F CB 1.172 40.134 39.000 -0.064 0.000 1.416 3039 F HN 0.571 nan 8.300 nan 0.000 0.515 3040 T N 0.354 115.032 114.554 0.208 0.000 2.908 3040 T HA -0.239 4.111 4.350 -0.000 0.000 0.242 3040 T C -1.219 173.513 174.700 0.053 0.000 1.094 3040 T CA 2.326 64.476 62.100 0.083 0.000 1.140 3040 T CB -1.731 67.150 68.868 0.022 0.000 0.807 3040 T HN 0.427 nan 8.240 nan 0.000 0.500 3041 P HA 0.285 nan 4.420 nan 0.000 0.252 3041 P C 0.924 178.246 177.300 0.037 0.000 1.211 3041 P CA 0.450 63.571 63.100 0.036 0.000 0.824 3041 P CB -0.050 31.665 31.700 0.024 0.000 1.077 3042 L N 0.131 121.379 121.223 0.043 0.000 2.872 3042 L HA 0.253 4.593 4.340 -0.000 0.000 0.245 3042 L C 1.057 177.952 176.870 0.042 0.000 1.211 3042 L CA -0.140 54.722 54.840 0.037 0.000 1.013 3042 L CB -0.453 41.623 42.059 0.029 0.000 1.326 3042 L HN -0.036 nan 8.230 nan 0.000 0.525 3043 T N -4.991 109.592 114.554 0.049 0.000 2.912 3043 T HA 0.212 4.562 4.350 -0.000 0.000 0.280 3043 T C 1.192 175.956 174.700 0.106 0.000 0.989 3043 T CA -0.266 61.883 62.100 0.081 0.000 0.995 3043 T CB 1.629 70.533 68.868 0.059 0.000 1.077 3043 T HN 0.018 nan 8.240 nan 0.000 0.531 3044 T N 0.970 115.622 114.554 0.164 0.000 2.867 3044 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 3044 T C 2.067 176.794 174.700 0.046 0.000 1.057 3044 T CA 1.736 63.898 62.100 0.103 0.000 1.136 3044 T CB -0.822 68.121 68.868 0.125 0.000 0.874 3044 T HN 0.808 nan 8.240 nan 0.000 0.466 3045 T N 2.329 116.916 114.554 0.054 0.000 2.759 3045 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 3045 T C 1.628 176.344 174.700 0.025 0.000 1.042 3045 T CA 1.182 63.300 62.100 0.030 0.000 1.140 3045 T CB -0.394 68.497 68.868 0.039 0.000 0.864 3045 T HN 0.439 nan 8.240 nan 0.000 0.455 3046 D N 0.749 121.169 120.400 0.033 0.000 2.178 3046 D HA -0.044 4.596 4.640 -0.000 0.000 0.201 3046 D C 2.095 178.403 176.300 0.014 0.000 0.980 3046 D CA 0.717 54.734 54.000 0.028 0.000 0.842 3046 D CB -0.076 40.743 40.800 0.032 0.000 0.948 3046 D HN 0.258 nan 8.370 nan 0.000 0.472 3047 V N 1.327 121.242 119.914 0.002 0.000 2.719 3047 V HA -0.017 4.103 4.120 -0.000 0.000 0.252 3047 V C 1.222 177.305 176.094 -0.018 0.000 1.065 3047 V CA 0.447 62.738 62.300 -0.015 0.000 1.086 3047 V CB -0.403 31.395 31.823 -0.042 0.000 0.700 3047 V HN 0.108 nan 8.190 nan 0.000 0.467 3048 A N 0.212 123.018 122.820 -0.023 0.000 2.492 3048 A HA 0.501 4.821 4.320 -0.000 0.000 0.254 3048 A C 1.676 179.241 177.584 -0.032 0.000 1.091 3048 A CA 0.537 52.551 52.037 -0.040 0.000 0.768 3048 A CB 0.372 19.340 19.000 -0.053 0.000 1.028 3048 A HN 0.482 nan 8.150 nan 0.000 0.498 3049 A N 2.688 125.488 122.820 -0.033 0.000 1.917 3049 A HA 0.279 4.598 4.320 -0.000 0.000 0.219 3049 A C 1.965 179.509 177.584 -0.066 0.000 1.182 3049 A CA 1.922 53.942 52.037 -0.027 0.000 0.633 3049 A CB -0.924 18.067 19.000 -0.015 0.000 0.819 3049 A HN 2.719 nan 8.150 nan 0.000 0.448 3050 G N -2.301 106.437 108.800 -0.104 0.000 2.164 3050 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.212 3050 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.212 3050 G C -0.058 174.749 174.900 -0.155 0.000 1.031 3050 G CA 0.121 45.146 45.100 -0.125 0.000 0.730 3050 G HN 1.019 nan 8.290 nan 0.000 0.501 3051 L N 0.004 121.119 121.223 -0.181 0.000 2.416 3051 L HA 0.630 4.969 4.340 -0.000 0.000 0.272 3051 L C 0.584 177.389 176.870 -0.108 0.000 1.161 3051 L CA -0.808 53.913 54.840 -0.199 0.000 0.845 3051 L CB 0.442 42.303 42.059 -0.330 0.000 1.119 3051 L HN 0.257 nan 8.230 nan 0.000 0.464 3052 W N 7.035 128.224 121.300 -0.183 0.000 2.481 3052 W HA 0.430 5.090 4.660 -0.000 0.000 0.320 3052 W C -0.436 175.971 176.519 -0.187 0.000 1.209 3052 W CA -0.126 57.160 57.345 -0.100 0.000 1.400 3052 W CB 0.102 29.596 29.460 0.056 0.000 1.361 3052 W HN 0.607 nan 8.180 nan 0.000 0.456 3053 Q N 7.720 127.151 119.800 -0.614 0.000 2.443 3053 Q HA 0.223 4.563 4.340 -0.000 0.000 0.241 3053 Q C -2.540 172.955 176.000 -0.842 0.000 0.880 3053 Q CA -1.511 53.804 55.803 -0.813 0.000 0.974 3053 Q CB 1.894 30.412 28.738 -0.368 0.000 1.482 3053 Q HN 0.154 nan 8.270 nan 0.000 0.448 3054 P HA 0.138 nan 4.420 nan 0.000 0.286 3054 P C -0.948 176.169 177.300 -0.305 0.000 1.293 3054 P CA -0.233 62.363 63.100 -0.840 0.000 0.770 3054 P CB 0.366 31.529 31.700 -0.895 0.000 1.206 3055 Y N -0.904 119.276 120.300 -0.201 0.000 2.457 3055 Y HA 0.049 4.599 4.550 -0.000 0.000 0.341 3055 Y C 1.972 177.993 175.900 0.202 0.000 1.240 3055 Y CA -0.236 57.856 58.100 -0.013 0.000 1.437 3055 Y CB -0.755 37.663 38.460 -0.070 0.000 1.328 3055 Y HN 0.169 nan 8.280 nan 0.000 0.588 3056 L N 0.720 122.173 121.223 0.383 0.000 2.093 3056 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 3056 L C 0.995 177.970 176.870 0.175 0.000 1.085 3056 L CA 1.004 56.047 54.840 0.338 0.000 0.755 3056 L CB -0.661 41.549 42.059 0.251 0.000 0.904 3056 L HN 0.561 nan 8.230 nan 0.000 0.435 3057 S N -0.789 114.987 115.700 0.128 0.000 2.565 3057 S HA 0.161 4.631 4.470 -0.000 0.000 0.274 3057 S C -0.113 174.530 174.600 0.072 0.000 1.309 3057 S CA -0.996 57.241 58.200 0.061 0.000 1.043 3057 S CB 1.133 64.346 63.200 0.021 0.000 0.939 3057 S HN 0.039 nan 8.310 nan 0.000 0.504 3058 D N 3.412 123.824 120.400 0.021 0.000 2.423 3058 D HA 0.201 4.841 4.640 -0.000 0.000 0.238 3058 D C -1.772 174.530 176.300 0.003 0.000 1.142 3058 D CA -0.414 53.586 54.000 0.001 0.000 0.884 3058 D CB 0.427 41.209 40.800 -0.030 0.000 1.199 3058 D HN 0.490 nan 8.370 nan 0.000 0.438 3059 P HA 0.100 nan 4.420 nan 0.000 0.275 3059 P C 0.138 177.422 177.300 -0.027 0.000 1.227 3059 P CA -0.158 62.921 63.100 -0.035 0.000 0.781 3059 P CB 0.964 32.604 31.700 -0.100 0.000 0.906 3060 N N 1.144 119.845 118.700 0.001 0.000 2.039 3060 N HA -0.174 4.566 4.740 -0.000 0.000 0.193 3060 N C 0.771 176.260 175.510 -0.034 0.000 1.044 3060 N CA 0.846 53.892 53.050 -0.006 0.000 0.847 3060 N CB -0.290 38.208 38.487 0.017 0.000 1.030 3060 N HN 0.492 nan 8.380 nan 0.000 0.422 3061 N N 1.474 120.146 118.700 -0.048 0.000 2.411 3061 N HA 0.077 4.817 4.740 -0.000 0.000 0.259 3061 N C -1.897 173.520 175.510 -0.156 0.000 1.103 3061 N CA -2.016 50.977 53.050 -0.096 0.000 0.954 3061 N CB 1.104 39.531 38.487 -0.099 0.000 1.085 3061 N HN 0.036 nan 8.380 nan 0.000 0.485 3062 P HA -0.150 nan 4.420 nan 0.000 0.223 3062 P C 0.890 178.028 177.300 -0.270 0.000 1.151 3062 P CA 0.910 63.910 63.100 -0.167 0.000 0.787 3062 P CB 0.435 32.062 31.700 -0.121 0.000 0.788 3063 Q N 0.580 120.151 119.800 -0.383 0.000 2.133 3063 Q HA -0.213 4.127 4.340 -0.000 0.000 0.208 3063 Q C 2.052 177.436 176.000 -1.026 0.000 0.991 3063 Q CA 1.575 56.956 55.803 -0.702 0.000 0.867 3063 Q CB -0.386 27.851 28.738 -0.835 0.000 0.911 3063 Q HN 0.508 nan 8.270 nan 0.000 0.417 3064 E N -0.071 119.666 120.200 -0.771 0.000 2.209 3064 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 3064 E C 1.757 178.233 176.600 -0.207 0.000 0.993 3064 E CA 0.814 56.958 56.400 -0.428 0.000 0.819 3064 E CB -0.066 29.547 29.700 -0.146 0.000 0.745 3064 E HN 0.326 nan 8.360 nan 0.000 0.477 3065 A N 1.287 123.983 122.820 -0.205 0.000 2.066 3065 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 3065 A C 1.600 179.164 177.584 -0.033 0.000 1.157 3065 A CA 1.165 53.149 52.037 -0.088 0.000 0.670 3065 A CB 0.018 18.973 19.000 -0.074 0.000 0.804 3065 A HN 0.086 nan 8.150 nan 0.000 0.453 3066 D N -1.167 119.161 120.400 -0.119 0.000 2.162 3066 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 3066 D C 1.664 178.062 176.300 0.164 0.000 0.964 3066 D CA 0.664 54.655 54.000 -0.015 0.000 0.847 3066 D CB -0.271 40.478 40.800 -0.085 0.000 0.988 3066 D HN 0.616 nan 8.370 nan 0.000 0.480 3067 W N 1.577 122.931 121.300 0.090 0.000 2.363 3067 W HA -0.070 4.590 4.660 -0.000 0.000 0.296 3067 W C 2.607 179.227 176.519 0.168 0.000 1.212 3067 W CA 0.495 57.903 57.345 0.104 0.000 1.260 3067 W CB -1.507 28.006 29.460 0.089 0.000 1.131 3067 W HN -0.025 nan 8.180 nan 0.000 0.530 3068 S N 0.145 116.079 115.700 0.388 0.000 2.383 3068 S HA -0.243 4.227 4.470 -0.000 0.000 0.227 3068 S C 1.929 176.879 174.600 0.583 0.000 1.026 3068 S CA 1.843 60.281 58.200 0.397 0.000 0.981 3068 S CB -0.182 63.114 63.200 0.161 0.000 0.818 3068 S HN 0.241 nan 8.310 nan 0.000 0.472 3069 Q N 0.891 120.934 119.800 0.405 0.000 2.119 3069 Q HA -0.031 4.309 4.340 -0.000 0.000 0.201 3069 Q C 2.167 178.344 176.000 0.294 0.000 0.972 3069 Q CA 1.783 57.774 55.803 0.313 0.000 0.847 3069 Q CB -0.538 28.311 28.738 0.186 0.000 0.903 3069 Q HN 0.691 nan 8.270 nan 0.000 0.433 3070 Q N -0.657 119.325 119.800 0.304 0.000 2.061 3070 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 3070 Q C 2.066 178.280 176.000 0.357 0.000 0.984 3070 Q CA 2.041 58.029 55.803 0.309 0.000 0.846 3070 Q CB -0.188 28.734 28.738 0.306 0.000 0.902 3070 Q HN 0.449 nan 8.270 nan 0.000 0.421 3071 T N 0.696 115.485 114.554 0.390 0.000 2.746 3071 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 3071 T C 1.374 176.226 174.700 0.255 0.000 1.039 3071 T CA 1.139 63.452 62.100 0.356 0.000 1.142 3071 T CB -0.385 68.707 68.868 0.372 0.000 0.866 3071 T HN 0.251 nan 8.240 nan 0.000 0.444 3072 F N 2.089 122.063 119.950 0.041 0.000 2.134 3072 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 3072 F C 1.990 177.650 175.800 -0.233 0.000 1.097 3072 F CA 1.297 59.039 58.000 -0.429 0.000 1.264 3072 F CB -0.153 38.253 39.000 -0.990 0.000 1.001 3072 F HN 0.039 nan 8.300 nan 0.000 0.479 3073 D N -0.874 119.603 120.400 0.128 0.000 2.117 3073 D HA -0.219 4.420 4.640 -0.000 0.000 0.198 3073 D C 1.917 178.243 176.300 0.044 0.000 0.982 3073 D CA 1.290 55.346 54.000 0.093 0.000 0.828 3073 D CB -0.755 40.141 40.800 0.160 0.000 0.967 3073 D HN 0.363 nan 8.370 nan 0.000 0.464 3074 Y N 1.638 121.894 120.300 -0.072 0.000 2.053 3074 Y HA -0.209 4.341 4.550 -0.000 0.000 0.277 3074 Y C 2.199 177.936 175.900 -0.271 0.000 1.159 3074 Y CA 1.491 59.471 58.100 -0.199 0.000 1.125 3074 Y CB -0.630 37.565 38.460 -0.442 0.000 0.969 3074 Y HN -0.079 nan 8.280 nan 0.000 0.492 3075 L N -0.807 120.172 121.223 -0.407 0.000 2.083 3075 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 3075 L C 2.425 179.010 176.870 -0.475 0.000 1.083 3075 L CA 1.192 55.712 54.840 -0.534 0.000 0.752 3075 L CB -0.724 41.061 42.059 -0.457 0.000 0.899 3075 L HN 0.306 nan 8.230 nan 0.000 0.433 3076 L N -0.091 120.842 121.223 -0.482 0.000 2.141 3076 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 3076 L C 2.773 179.506 176.870 -0.228 0.000 1.094 3076 L CA 1.787 56.381 54.840 -0.409 0.000 0.763 3076 L CB -0.371 41.435 42.059 -0.421 0.000 0.908 3076 L HN 0.335 nan 8.230 nan 0.000 0.437 3077 S N -2.127 113.475 115.700 -0.163 0.000 2.428 3077 S HA -0.180 4.290 4.470 -0.000 0.000 0.230 3077 S C 1.564 176.044 174.600 -0.200 0.000 1.014 3077 S CA 1.096 59.229 58.200 -0.112 0.000 0.957 3077 S CB -0.697 62.480 63.200 -0.038 0.000 0.784 3077 S HN 0.612 nan 8.310 nan 0.000 0.499 3078 H N -0.224 118.630 119.070 -0.360 0.000 2.529 3078 H HA 0.438 4.994 4.556 -0.000 0.000 0.277 3078 H C 1.668 176.808 175.328 -0.314 0.000 1.004 3078 H CA 0.235 56.073 56.048 -0.350 0.000 1.167 3078 H CB 0.307 29.761 29.762 -0.513 0.000 1.445 3078 H HN 0.289 nan 8.280 nan 0.000 0.554 3079 V N 0.165 119.937 119.914 -0.236 0.000 2.515 3079 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 3079 V C 1.364 177.239 176.094 -0.365 0.000 1.058 3079 V CA 1.802 63.903 62.300 -0.332 0.000 1.064 3079 V CB -0.151 31.418 31.823 -0.424 0.000 0.675 3079 V HN 0.592 nan 8.190 nan 0.000 0.461 3080 H N -0.736 118.272 119.070 -0.103 0.000 2.586 3080 H HA 0.316 4.872 4.556 -0.000 0.000 0.273 3080 H C 1.304 176.583 175.328 -0.081 0.000 0.997 3080 H CA 0.577 56.579 56.048 -0.077 0.000 1.177 3080 H CB 0.311 30.034 29.762 -0.065 0.000 1.471 3080 H HN 0.461 nan 8.280 nan 0.000 0.538 3081 S N 2.163 117.845 115.700 -0.030 0.000 2.560 3081 S HA 0.027 4.496 4.470 -0.000 0.000 0.284 3081 S C -1.283 173.301 174.600 -0.026 0.000 1.327 3081 S CA -1.079 57.091 58.200 -0.049 0.000 1.055 3081 S CB 1.294 64.435 63.200 -0.098 0.000 0.868 3081 S HN 0.021 nan 8.310 nan 0.000 0.506 3082 P HA -0.063 nan 4.420 nan 0.000 0.219 3082 P C 0.725 178.024 177.300 -0.003 0.000 1.146 3082 P CA 0.940 64.040 63.100 0.000 0.000 0.808 3082 P CB -0.038 31.666 31.700 0.008 0.000 0.779 3083 N N -0.054 118.644 118.700 -0.004 0.000 2.459 3083 N HA -0.048 4.692 4.740 -0.000 0.000 0.181 3083 N C 1.643 177.107 175.510 -0.076 0.000 1.046 3083 N CA 1.001 54.049 53.050 -0.004 0.000 0.904 3083 N CB -0.559 37.955 38.487 0.046 0.000 0.964 3083 N HN 0.103 nan 8.380 nan 0.000 0.444 3084 A N 1.910 124.672 122.820 -0.097 0.000 1.997 3084 A HA -0.243 4.077 4.320 -0.000 0.000 0.221 3084 A C 2.171 179.698 177.584 -0.096 0.000 1.172 3084 A CA 1.572 53.525 52.037 -0.141 0.000 0.645 3084 A CB -0.594 18.330 19.000 -0.127 0.000 0.813 3084 A HN 0.430 nan 8.150 nan 0.000 0.454 3085 E N 0.157 120.329 120.200 -0.047 0.000 2.110 3085 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 3085 E C 1.425 178.020 176.600 -0.008 0.000 0.988 3085 E CA 1.424 57.815 56.400 -0.015 0.000 0.804 3085 E CB -0.236 29.457 29.700 -0.012 0.000 0.745 3085 E HN 0.646 nan 8.360 nan 0.000 0.458 3086 N N 0.625 119.316 118.700 -0.015 0.000 2.223 3086 N HA -0.149 4.590 4.740 -0.000 0.000 0.185 3086 N C 1.845 177.349 175.510 -0.009 0.000 1.016 3086 N CA 0.738 53.804 53.050 0.025 0.000 0.863 3086 N CB -0.305 38.242 38.487 0.099 0.000 0.983 3086 N HN 0.184 nan 8.380 nan 0.000 0.429 3087 L N 0.123 121.248 121.223 -0.163 0.000 2.291 3087 L HA 0.094 4.433 4.340 -0.000 0.000 0.214 3087 L C 1.188 178.042 176.870 -0.027 0.000 1.120 3087 L CA 0.882 55.614 54.840 -0.180 0.000 0.799 3087 L CB -0.611 41.211 42.059 -0.395 0.000 0.925 3087 L HN 0.343 nan 8.230 nan 0.000 0.446 3088 G N 0.097 108.894 108.800 -0.005 0.000 2.212 3088 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.255 3088 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.255 3088 G C -0.062 174.852 174.900 0.022 0.000 1.062 3088 G CA 0.266 45.403 45.100 0.062 0.000 0.815 3088 G HN 0.234 nan 8.290 nan 0.000 0.497 3089 L N 0.121 121.336 121.223 -0.014 0.000 2.329 3089 L HA 0.950 5.290 4.340 -0.000 0.000 0.279 3089 L C 0.136 177.013 176.870 0.012 0.000 1.014 3089 L CA -1.263 53.478 54.840 -0.165 0.000 0.814 3089 L CB 1.244 43.148 42.059 -0.259 0.000 1.257 3089 L HN 0.530 nan 8.230 nan 0.000 0.424 3090 F N 2.229 122.072 119.950 -0.178 0.000 2.842 3090 F HA 0.425 4.952 4.527 -0.000 0.000 0.319 3090 F C -2.028 173.686 175.800 -0.144 0.000 1.159 3090 F CA -1.233 56.667 58.000 -0.166 0.000 0.902 3090 F CB 0.773 39.704 39.000 -0.114 0.000 1.311 3090 F HN 0.136 nan 8.300 nan 0.000 0.453 3091 L N 2.732 124.021 121.223 0.110 0.000 2.371 3091 L HA 0.636 4.976 4.340 -0.000 0.000 0.272 3091 L C -0.506 176.485 176.870 0.201 0.000 1.124 3091 L CA -0.699 54.175 54.840 0.058 0.000 0.816 3091 L CB 1.537 43.617 42.059 0.035 0.000 1.129 3091 L HN 0.725 nan 8.230 nan 0.000 0.448 3092 I N 1.307 121.961 120.570 0.140 0.000 2.752 3092 I HA 0.326 4.496 4.170 -0.000 0.000 0.295 3092 I C -0.727 175.470 176.117 0.134 0.000 1.219 3092 I CA 0.021 61.432 61.300 0.185 0.000 1.030 3092 I CB 2.323 40.486 38.000 0.272 0.000 1.259 3092 I HN 0.515 nan 8.210 nan 0.000 0.423 3093 S N 3.433 119.106 115.700 -0.044 0.000 2.578 3093 S HA 0.996 5.466 4.470 -0.000 0.000 0.301 3093 S C -0.294 173.712 174.600 -0.991 0.000 1.091 3093 S CA -0.398 57.573 58.200 -0.382 0.000 1.032 3093 S CB 1.864 64.970 63.200 -0.157 0.000 1.064 3093 S HN 0.969 nan 8.310 nan 0.000 0.508 3094 G N 0.476 108.062 108.800 -2.024 0.000 2.451 3094 G HA2 0.521 4.481 3.960 -0.000 0.000 0.292 3094 G HA3 0.521 4.481 3.960 -0.000 0.000 0.292 3094 G C -2.372 171.393 174.900 -1.891 0.000 1.427 3094 G CA -0.726 42.886 45.100 -2.479 0.000 0.792 3094 G HN 0.481 nan 8.290 nan 0.000 0.498 3095 Y N 0.423 120.247 120.300 -0.793 0.000 2.361 3095 Y HA 0.512 5.062 4.550 -0.000 0.000 0.332 3095 Y C 0.734 176.563 175.900 -0.117 0.000 1.101 3095 Y CA -0.840 57.059 58.100 -0.336 0.000 1.137 3095 Y CB 1.619 39.884 38.460 -0.325 0.000 1.207 3095 Y HN 0.253 nan 8.280 nan 0.000 0.463 3096 N N 3.777 122.523 118.700 0.076 0.000 2.446 3096 N HA 0.451 5.191 4.740 -0.000 0.000 0.265 3096 N C -1.489 173.746 175.510 -0.458 0.000 0.975 3096 N CA -0.420 52.569 53.050 -0.102 0.000 0.928 3096 N CB 1.544 40.050 38.487 0.032 0.000 1.160 3096 N HN 0.493 nan 8.380 nan 0.000 0.495 3097 L N 2.724 123.525 121.223 -0.703 0.000 2.334 3097 L HA 0.647 4.987 4.340 -0.000 0.000 0.276 3097 L C -0.808 175.540 176.870 -0.870 0.000 1.014 3097 L CA -0.690 53.691 54.840 -0.766 0.000 0.815 3097 L CB 0.917 42.319 42.059 -1.095 0.000 1.268 3097 L HN 0.343 nan 8.230 nan 0.000 0.428 3098 F N -0.483 119.394 119.950 -0.122 0.000 2.629 3098 F HA 0.409 4.936 4.527 -0.000 0.000 0.316 3098 F C 1.076 176.952 175.800 0.127 0.000 1.081 3098 F CA -0.755 57.263 58.000 0.030 0.000 0.954 3098 F CB 1.331 40.383 39.000 0.086 0.000 1.337 3098 F HN 0.393 nan 8.300 nan 0.000 0.474 3099 H N -0.348 118.992 119.070 0.450 0.000 2.415 3099 H HA 0.157 4.713 4.556 -0.000 0.000 0.297 3099 H C -0.174 175.282 175.328 0.213 0.000 1.048 3099 H CA 1.039 57.237 56.048 0.250 0.000 1.365 3099 H CB 0.485 30.315 29.762 0.114 0.000 1.421 3099 H HN 0.455 nan 8.280 nan 0.000 0.533 3100 E N -0.026 120.352 120.200 0.297 0.000 2.410 3100 E HA 0.539 4.889 4.350 -0.000 0.000 0.269 3100 E C -0.431 176.121 176.600 -0.080 0.000 0.937 3100 E CA -1.061 55.406 56.400 0.113 0.000 0.793 3100 E CB 2.099 31.833 29.700 0.057 0.000 1.314 3100 E HN 0.100 nan 8.360 nan 0.000 0.447 3101 A N 1.045 123.653 122.820 -0.353 0.000 2.531 3101 A HA 0.358 4.678 4.320 -0.000 0.000 0.236 3101 A C -0.254 176.990 177.584 -0.566 0.000 1.062 3101 A CA 0.314 51.793 52.037 -0.931 0.000 0.760 3101 A CB -0.061 18.552 19.000 -0.644 0.000 0.995 3101 A HN 0.404 nan 8.150 nan 0.000 0.501 3102 I N 2.148 122.365 120.570 -0.588 0.000 2.827 3102 I HA 0.463 4.633 4.170 -0.000 0.000 0.298 3102 I C -2.274 173.794 176.117 -0.081 0.000 1.235 3102 I CA -1.726 59.420 61.300 -0.257 0.000 1.021 3102 I CB 2.465 40.244 38.000 -0.368 0.000 1.259 3102 I HN 0.549 nan 8.210 nan 0.000 0.427 3103 P HA 0.182 nan 4.420 nan 0.000 0.269 3103 P C -1.011 176.245 177.300 -0.073 0.000 1.209 3103 P CA -0.172 62.888 63.100 -0.068 0.000 0.776 3103 P CB 0.387 32.032 31.700 -0.092 0.000 0.876 3104 D N 2.669 122.960 120.400 -0.182 0.000 2.390 3104 D HA 0.109 4.749 4.640 -0.000 0.000 0.236 3104 D C -1.724 174.208 176.300 -0.614 0.000 1.189 3104 D CA -0.476 53.232 54.000 -0.487 0.000 0.887 3104 D CB -0.558 39.907 40.800 -0.558 0.000 1.198 3104 D HN 0.340 nan 8.370 nan 0.000 0.444 3105 P HA 0.096 nan 4.420 nan 0.000 0.279 3105 P C 0.249 176.982 177.300 -0.945 0.000 1.252 3105 P CA -0.401 62.084 63.100 -1.025 0.000 0.811 3105 P CB 0.803 31.412 31.700 -1.819 0.000 1.035 3106 S N -0.135 115.194 115.700 -0.618 0.000 2.515 3106 S HA -0.051 4.419 4.470 -0.000 0.000 0.231 3106 S C 1.260 175.688 174.600 -0.287 0.000 0.987 3106 S CA -0.024 57.951 58.200 -0.374 0.000 0.936 3106 S CB -0.884 62.209 63.200 -0.179 0.000 0.766 3106 S HN 0.710 nan 8.310 nan 0.000 0.528 3107 W N 2.918 124.075 121.300 -0.238 0.000 3.353 3107 W HA 0.314 4.974 4.660 -0.000 0.000 0.304 3107 W C 1.223 177.557 176.519 -0.309 0.000 1.273 3107 W CA 0.037 57.273 57.345 -0.182 0.000 1.773 3107 W CB -0.618 28.825 29.460 -0.029 0.000 1.095 3107 W HN 0.433 nan 8.180 nan 0.000 0.676 3108 K N 1.182 121.186 120.400 -0.660 0.000 2.228 3108 K HA -0.234 4.086 4.320 -0.000 0.000 0.205 3108 K C 0.667 177.053 176.600 -0.356 0.000 1.045 3108 K CA 1.980 57.757 56.287 -0.850 0.000 0.931 3108 K CB -0.489 31.083 32.500 -1.547 0.000 0.727 3108 K HN -0.066 nan 8.250 nan 0.000 0.458 3109 D N 0.448 120.701 120.400 -0.244 0.000 2.339 3109 D HA 0.014 4.654 4.640 -0.000 0.000 0.217 3109 D C 1.039 177.261 176.300 -0.129 0.000 1.050 3109 D CA 0.624 54.538 54.000 -0.143 0.000 0.856 3109 D CB 0.532 41.259 40.800 -0.121 0.000 0.922 3109 D HN 0.301 nan 8.370 nan 0.000 0.518 3110 T N 0.226 114.681 114.554 -0.165 0.000 2.939 3110 T HA 0.014 4.364 4.350 -0.000 0.000 0.254 3110 T C 1.358 175.628 174.700 -0.716 0.000 1.041 3110 T CA 0.267 62.145 62.100 -0.369 0.000 1.142 3110 T CB 0.190 68.860 68.868 -0.330 0.000 0.874 3110 T HN 0.068 nan 8.240 nan 0.000 0.452 3111 V N 0.542 120.163 119.914 -0.487 0.000 3.133 3111 V HA 0.477 4.597 4.120 -0.000 0.000 0.305 3111 V C -0.043 176.040 176.094 -0.018 0.000 1.084 3111 V CA -1.304 60.779 62.300 -0.361 0.000 1.089 3111 V CB 0.102 31.898 31.823 -0.045 0.000 1.073 3111 V HN 0.020 nan 8.190 nan 0.000 0.477 3112 L N 3.215 124.543 121.223 0.176 0.000 2.290 3112 L HA 0.653 4.993 4.340 -0.000 0.000 0.284 3112 L C 1.259 178.278 176.870 0.249 0.000 1.078 3112 L CA 1.461 56.424 54.840 0.205 0.000 0.815 3112 L CB 0.122 42.317 42.059 0.227 0.000 1.162 3112 L HN 1.251 nan 8.230 nan 0.000 0.435 3113 G N 3.095 112.017 108.800 0.204 0.000 2.273 3113 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.280 3113 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.280 3113 G C 0.254 175.309 174.900 0.257 0.000 1.047 3113 G CA -0.022 45.203 45.100 0.208 0.000 0.869 3113 G HN 0.501 nan 8.290 nan 0.000 0.502 3114 F N 1.418 121.444 119.950 0.127 0.000 2.629 3114 F HA 0.438 4.965 4.527 -0.000 0.000 0.377 3114 F C 1.168 177.021 175.800 0.088 0.000 1.101 3114 F CA 0.918 58.980 58.000 0.105 0.000 1.301 3114 F CB 0.487 39.445 39.000 -0.069 0.000 1.062 3114 F HN 0.653 nan 8.300 nan 0.000 0.583 3115 R N 3.134 123.287 120.500 -0.578 0.000 2.690 3115 R HA 0.473 4.813 4.340 -0.000 0.000 0.269 3115 R C -1.730 174.340 176.300 -0.383 0.000 1.037 3115 R CA -1.458 54.472 56.100 -0.284 0.000 0.877 3115 R CB 0.839 31.108 30.300 -0.052 0.000 1.255 3115 R HN 0.359 nan 8.270 nan 0.000 0.467 3116 K N 1.357 121.685 120.400 -0.119 0.000 2.202 3116 K HA 0.306 4.626 4.320 -0.000 0.000 0.264 3116 K C -0.008 176.595 176.600 0.004 0.000 1.010 3116 K CA -0.372 55.905 56.287 -0.016 0.000 0.940 3116 K CB 0.492 33.041 32.500 0.082 0.000 0.983 3116 K HN 0.368 nan 8.250 nan 0.000 0.475 3117 L N 1.479 122.713 121.223 0.018 0.000 2.473 3117 L HA 0.152 4.492 4.340 -0.000 0.000 0.268 3117 L C 0.756 177.659 176.870 0.055 0.000 1.215 3117 L CA -0.149 54.730 54.840 0.065 0.000 0.823 3117 L CB 0.496 42.625 42.059 0.116 0.000 1.099 3117 L HN 0.802 nan 8.230 nan 0.000 0.483 3118 T N -2.074 112.511 114.554 0.052 0.000 2.943 3118 T HA 0.335 4.685 4.350 -0.000 0.000 0.284 3118 T C -1.982 172.754 174.700 0.060 0.000 1.015 3118 T CA -1.985 60.143 62.100 0.046 0.000 1.042 3118 T CB 1.671 70.549 68.868 0.016 0.000 1.055 3118 T HN 0.299 nan 8.240 nan 0.000 0.500 3119 P HA -0.156 nan 4.420 nan 0.000 0.218 3119 P C 1.575 178.900 177.300 0.043 0.000 1.154 3119 P CA 1.303 64.439 63.100 0.060 0.000 0.872 3119 P CB 0.064 31.793 31.700 0.048 0.000 0.790 3120 R N -0.350 120.163 120.500 0.021 0.000 2.081 3120 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 3120 R C 2.306 178.598 176.300 -0.014 0.000 1.131 3120 R CA 1.435 57.533 56.100 -0.003 0.000 0.960 3120 R CB -0.608 29.683 30.300 -0.014 0.000 0.856 3120 R HN 0.360 nan 8.270 nan 0.000 0.436 3121 E N 0.700 120.910 120.200 0.016 0.000 2.077 3121 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 3121 E C 1.988 178.633 176.600 0.075 0.000 0.989 3121 E CA 0.948 57.371 56.400 0.037 0.000 0.800 3121 E CB -0.072 29.702 29.700 0.124 0.000 0.746 3121 E HN 0.280 nan 8.360 nan 0.000 0.452 3122 L N 1.258 122.559 121.223 0.130 0.000 2.191 3122 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 3122 L C 1.651 178.591 176.870 0.116 0.000 1.103 3122 L CA 0.628 55.586 54.840 0.197 0.000 0.769 3122 L CB -0.280 41.882 42.059 0.171 0.000 0.908 3122 L HN 0.088 nan 8.230 nan 0.000 0.438 3123 D N -0.002 120.409 120.400 0.019 0.000 2.310 3123 D HA -0.140 4.500 4.640 -0.000 0.000 0.212 3123 D C 2.127 178.349 176.300 -0.131 0.000 0.965 3123 D CA 1.121 55.103 54.000 -0.030 0.000 0.879 3123 D CB 0.048 40.829 40.800 -0.033 0.000 0.921 3123 D HN 0.422 nan 8.370 nan 0.000 0.510 3124 M N -0.646 118.772 119.600 -0.302 0.000 2.562 3124 M HA 0.006 4.486 4.480 -0.000 0.000 0.257 3124 M C -0.200 175.627 176.300 -0.788 0.000 1.099 3124 M CA 0.615 55.541 55.300 -0.624 0.000 1.099 3124 M CB 0.244 32.265 32.600 -0.965 0.000 1.427 3124 M HN -0.169 nan 8.290 nan 0.000 0.489 3125 F N -0.631 119.301 119.950 -0.031 0.000 2.552 3125 F HA 0.354 4.881 4.527 -0.000 0.000 0.369 3125 F C -2.000 173.846 175.800 0.076 0.000 1.112 3125 F CA -2.451 55.568 58.000 0.031 0.000 1.129 3125 F CB 0.278 39.299 39.000 0.035 0.000 1.360 3125 F HN -0.174 nan 8.300 nan 0.000 0.473 3126 P HA -0.124 nan 4.420 nan 0.000 0.217 3126 P C 0.940 178.288 177.300 0.079 0.000 1.150 3126 P CA 1.339 64.495 63.100 0.094 0.000 0.832 3126 P CB 0.378 32.106 31.700 0.046 0.000 0.787 3127 D N -2.546 117.886 120.400 0.053 0.000 2.348 3127 D HA -0.041 4.598 4.640 -0.000 0.000 0.216 3127 D C 0.124 176.194 176.300 -0.383 0.000 0.970 3127 D CA 0.912 54.808 54.000 -0.174 0.000 0.889 3127 D CB -0.270 40.350 40.800 -0.300 0.000 0.912 3127 D HN 0.277 nan 8.370 nan 0.000 0.524 3128 Y N -1.639 118.740 120.300 0.131 0.000 2.485 3128 Y HA 0.567 5.117 4.550 -0.000 0.000 0.345 3128 Y C 1.339 177.318 175.900 0.131 0.000 0.998 3128 Y CA -0.905 57.235 58.100 0.067 0.000 1.059 3128 Y CB 2.587 40.990 38.460 -0.094 0.000 1.234 3128 Y HN -0.217 nan 8.280 nan 0.000 0.461 3129 G N 0.210 109.190 108.800 0.301 0.000 3.146 3129 G HA2 0.096 4.056 3.960 -0.000 0.000 0.238 3129 G HA3 0.096 4.056 3.960 -0.000 0.000 0.238 3129 G C -1.238 173.863 174.900 0.335 0.000 1.022 3129 G CA 0.217 45.476 45.100 0.265 0.000 0.880 3129 G HN 0.486 nan 8.290 nan 0.000 0.533 3130 Y N -0.074 120.345 120.300 0.199 0.000 2.571 3130 Y HA 0.630 5.180 4.550 -0.000 0.000 0.341 3130 Y C -0.110 175.917 175.900 0.213 0.000 1.076 3130 Y CA -0.332 57.882 58.100 0.190 0.000 1.029 3130 Y CB 1.946 40.504 38.460 0.164 0.000 1.308 3130 Y HN 0.339 nan 8.280 nan 0.000 0.461 3131 G N 1.498 109.950 108.800 -0.579 0.000 2.349 3131 G HA2 0.382 4.342 3.960 -0.000 0.000 0.294 3131 G HA3 0.382 4.342 3.960 -0.000 0.000 0.294 3131 G C -2.407 172.360 174.900 -0.222 0.000 1.380 3131 G CA -0.973 43.905 45.100 -0.369 0.000 0.811 3131 G HN 0.507 nan 8.290 nan 0.000 0.519 3132 W N -0.770 120.525 121.300 -0.008 0.000 2.719 3132 W HA 0.805 5.465 4.660 -0.000 0.000 0.352 3132 W C -1.182 175.330 176.519 -0.012 0.000 1.085 3132 W CA -1.834 55.441 57.345 -0.117 0.000 1.187 3132 W CB 1.446 30.848 29.460 -0.097 0.000 1.417 3132 W HN 0.434 nan 8.180 nan 0.000 0.557 3133 F N 2.939 122.862 119.950 -0.045 0.000 2.556 3133 F HA 0.496 5.023 4.527 -0.000 0.000 0.314 3133 F C 0.078 175.851 175.800 -0.044 0.000 1.106 3133 F CA -0.273 57.637 58.000 -0.149 0.000 0.911 3133 F CB 1.234 40.101 39.000 -0.222 0.000 1.190 3133 F HN 0.427 nan 8.300 nan 0.000 0.448 3134 H N 1.115 120.011 119.070 -0.290 0.000 2.883 3134 H HA 0.446 5.002 4.556 -0.000 0.000 0.277 3134 H C -1.883 173.404 175.328 -0.068 0.000 1.451 3134 H CA -1.022 55.040 56.048 0.023 0.000 1.157 3134 H CB 1.452 31.390 29.762 0.293 0.000 1.851 3134 H HN 0.395 nan 8.280 nan 0.000 0.566 3135 T N 1.187 115.909 114.554 0.280 0.000 2.812 3135 T HA 0.435 4.785 4.350 -0.000 0.000 0.282 3135 T C -0.189 174.791 174.700 0.466 0.000 0.990 3135 T CA -0.339 61.901 62.100 0.233 0.000 0.960 3135 T CB 1.676 70.671 68.868 0.211 0.000 0.948 3135 T HN 0.641 nan 8.240 nan 0.000 0.438 3136 S N 2.841 118.792 115.700 0.418 0.000 3.137 3136 S HA 0.866 5.336 4.470 -0.000 0.000 0.292 3136 S C -1.484 173.213 174.600 0.161 0.000 1.041 3136 S CA -0.672 57.801 58.200 0.456 0.000 0.956 3136 S CB 0.585 64.095 63.200 0.517 0.000 1.360 3136 S HN 0.554 nan 8.310 nan 0.000 0.690 3137 L N 1.392 122.643 121.223 0.047 0.000 2.422 3137 L HA 0.618 4.957 4.340 -0.000 0.000 0.264 3137 L C -1.147 175.566 176.870 -0.262 0.000 0.984 3137 L CA -0.589 54.123 54.840 -0.213 0.000 0.819 3137 L CB 1.962 43.788 42.059 -0.388 0.000 1.330 3137 L HN 0.562 nan 8.230 nan 0.000 0.410 3138 I N 3.178 123.411 120.570 -0.563 0.000 2.377 3138 I HA 0.322 4.491 4.170 -0.000 0.000 0.293 3138 I C -0.940 174.854 176.117 -0.538 0.000 0.987 3138 I CA -0.621 60.316 61.300 -0.604 0.000 1.185 3138 I CB 2.079 39.516 38.000 -0.940 0.000 1.341 3138 I HN 0.308 nan 8.210 nan 0.000 0.455 3139 L N 6.960 127.981 121.223 -0.337 0.000 2.417 3139 L HA 0.349 4.689 4.340 -0.000 0.000 0.259 3139 L C -0.200 176.557 176.870 -0.188 0.000 1.023 3139 L CA -0.150 54.508 54.840 -0.304 0.000 0.901 3139 L CB 0.810 42.641 42.059 -0.380 0.000 1.227 3139 L HN 0.463 nan 8.230 nan 0.000 0.454 3140 E N 2.888 123.024 120.200 -0.106 0.000 2.415 3140 E HA 0.077 4.427 4.350 -0.000 0.000 0.260 3140 E C 0.985 177.600 176.600 0.024 0.000 1.016 3140 E CA 0.549 56.939 56.400 -0.018 0.000 0.924 3140 E CB 1.006 30.734 29.700 0.047 0.000 0.961 3140 E HN 0.864 nan 8.360 nan 0.000 0.459 3141 G N 4.311 113.124 108.800 0.021 0.000 2.514 3141 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.217 3141 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.217 3141 G C 1.411 176.369 174.900 0.097 0.000 1.198 3141 G CA 0.881 46.018 45.100 0.062 0.000 0.780 3141 G HN 0.485 nan 8.290 nan 0.000 0.565 3142 K N 0.487 120.928 120.400 0.067 0.000 2.044 3142 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 3142 K C 2.441 179.089 176.600 0.079 0.000 1.049 3142 K CA 1.776 58.100 56.287 0.062 0.000 0.927 3142 K CB -0.320 32.207 32.500 0.045 0.000 0.713 3142 K HN 0.489 nan 8.250 nan 0.000 0.443 3143 N N -0.846 117.910 118.700 0.093 0.000 2.080 3143 N HA -0.200 4.540 4.740 -0.000 0.000 0.189 3143 N C 1.806 177.422 175.510 0.177 0.000 1.036 3143 N CA 1.160 54.277 53.050 0.112 0.000 0.846 3143 N CB -0.306 38.238 38.487 0.094 0.000 1.015 3143 N HN 0.162 nan 8.380 nan 0.000 0.423 3144 Y N 1.587 121.911 120.300 0.040 0.000 2.165 3144 Y HA -0.151 4.399 4.550 -0.000 0.000 0.286 3144 Y C 2.030 178.026 175.900 0.160 0.000 1.155 3144 Y CA 1.070 59.215 58.100 0.075 0.000 1.164 3144 Y CB -0.420 38.029 38.460 -0.018 0.000 0.978 3144 Y HN 0.014 nan 8.280 nan 0.000 0.513 3145 L N 0.357 121.635 121.223 0.092 0.000 2.083 3145 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 3145 L C 2.574 179.444 176.870 -0.001 0.000 1.083 3145 L CA 1.952 56.797 54.840 0.007 0.000 0.752 3145 L CB -0.965 41.121 42.059 0.046 0.000 0.899 3145 L HN 0.356 nan 8.230 nan 0.000 0.433 3146 Q N -2.329 117.498 119.800 0.046 0.000 2.096 3146 Q HA -0.240 4.100 4.340 -0.000 0.000 0.197 3146 Q C 2.129 178.155 176.000 0.044 0.000 0.964 3146 Q CA 1.451 57.268 55.803 0.023 0.000 0.838 3146 Q CB -0.304 28.458 28.738 0.040 0.000 0.906 3146 Q HN 0.565 nan 8.270 nan 0.000 0.444 3147 W N 1.085 122.333 121.300 -0.086 0.000 2.333 3147 W HA -0.230 4.430 4.660 -0.000 0.000 0.316 3147 W C 1.521 177.966 176.519 -0.123 0.000 1.215 3147 W CA 1.660 58.953 57.345 -0.086 0.000 1.278 3147 W CB -0.423 29.002 29.460 -0.059 0.000 1.154 3147 W HN 0.124 nan 8.180 nan 0.000 0.486 3148 L N -0.162 121.002 121.223 -0.099 0.000 2.081 3148 L HA -0.289 4.051 4.340 -0.000 0.000 0.212 3148 L C 2.380 179.131 176.870 -0.198 0.000 1.080 3148 L CA 1.934 56.618 54.840 -0.260 0.000 0.754 3148 L CB -1.372 40.573 42.059 -0.189 0.000 0.893 3148 L HN -0.027 nan 8.230 nan 0.000 0.433 3149 T N -0.973 113.500 114.554 -0.136 0.000 2.777 3149 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 3149 T C 1.739 176.355 174.700 -0.141 0.000 1.040 3149 T CA 1.288 63.311 62.100 -0.129 0.000 1.141 3149 T CB -0.119 68.588 68.868 -0.269 0.000 0.868 3149 T HN 0.414 nan 8.240 nan 0.000 0.444 3150 E N 0.572 120.649 120.200 -0.205 0.000 2.072 3150 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 3150 E C 2.549 179.000 176.600 -0.248 0.000 0.985 3150 E CA 0.677 56.956 56.400 -0.202 0.000 0.801 3150 E CB -0.043 29.542 29.700 -0.193 0.000 0.750 3150 E HN 0.136 nan 8.360 nan 0.000 0.452 3151 R N 0.429 120.685 120.500 -0.406 0.000 2.073 3151 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 3151 R C 2.070 178.203 176.300 -0.278 0.000 1.134 3151 R CA 0.873 56.723 56.100 -0.417 0.000 0.952 3151 R CB -0.439 29.462 30.300 -0.665 0.000 0.850 3151 R HN 0.093 nan 8.270 nan 0.000 0.433 3152 L N -0.118 120.985 121.223 -0.201 0.000 2.141 3152 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 3152 L C 1.903 178.711 176.870 -0.104 0.000 1.094 3152 L CA 1.874 56.622 54.840 -0.153 0.000 0.763 3152 L CB -1.054 41.013 42.059 0.014 0.000 0.908 3152 L HN 0.236 nan 8.230 nan 0.000 0.437 3153 T N -0.409 114.140 114.554 -0.007 0.000 2.770 3153 T HA -0.160 4.190 4.350 -0.000 0.000 0.263 3153 T C 1.512 176.169 174.700 -0.071 0.000 1.039 3153 T CA 1.266 63.368 62.100 0.003 0.000 1.142 3153 T CB -0.143 68.729 68.868 0.005 0.000 0.868 3153 T HN 0.567 nan 8.240 nan 0.000 0.435 3154 E N 1.155 121.293 120.200 -0.103 0.000 2.515 3154 E HA -0.068 4.282 4.350 -0.000 0.000 0.201 3154 E C 1.679 178.210 176.600 -0.114 0.000 1.071 3154 E CA 0.601 56.944 56.400 -0.096 0.000 0.880 3154 E CB -0.123 29.520 29.700 -0.096 0.000 0.828 3154 E HN 0.336 nan 8.360 nan 0.000 0.540 3155 R N -0.361 120.029 120.500 -0.184 0.000 2.432 3155 R HA 0.154 4.494 4.340 -0.000 0.000 0.260 3155 R C 0.899 177.066 176.300 -0.220 0.000 0.935 3155 R CA 0.431 56.360 56.100 -0.285 0.000 1.080 3155 R CB 0.794 30.719 30.300 -0.624 0.000 1.155 3155 R HN 0.365 nan 8.270 nan 0.000 0.531 3156 G N 0.676 109.401 108.800 -0.125 0.000 2.179 3156 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 3156 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 3156 G C 0.262 175.105 174.900 -0.094 0.000 0.977 3156 G CA 0.181 45.240 45.100 -0.069 0.000 0.641 3156 G HN 0.148 nan 8.290 nan 0.000 0.533 3157 V N 1.412 121.220 119.914 -0.176 0.000 2.637 3157 V HA 0.355 4.475 4.120 -0.000 0.000 0.296 3157 V C 0.743 176.670 176.094 -0.279 0.000 1.046 3157 V CA 0.313 62.467 62.300 -0.245 0.000 1.066 3157 V CB 1.302 32.909 31.823 -0.360 0.000 0.968 3157 V HN 0.329 nan 8.190 nan 0.000 0.483 3158 K N 4.283 124.517 120.400 -0.277 0.000 2.221 3158 K HA 0.587 4.907 4.320 -0.000 0.000 0.258 3158 K C -1.184 175.178 176.600 -0.397 0.000 0.944 3158 K CA -0.378 55.754 56.287 -0.258 0.000 0.823 3158 K CB 1.784 34.198 32.500 -0.143 0.000 1.113 3158 K HN 0.411 nan 8.250 nan 0.000 0.431 3159 F N 1.747 121.534 119.950 -0.272 0.000 2.425 3159 F HA 0.493 5.020 4.527 -0.000 0.000 0.331 3159 F C -0.142 175.422 175.800 -0.393 0.000 1.085 3159 F CA -0.654 57.263 58.000 -0.138 0.000 1.028 3159 F CB 0.908 39.802 39.000 -0.176 0.000 1.177 3159 F HN 0.318 nan 8.300 nan 0.000 0.487 3160 F N 0.951 121.166 119.950 0.442 0.000 2.569 3160 F HA 0.273 4.800 4.527 -0.000 0.000 0.312 3160 F C -0.304 175.735 175.800 0.398 0.000 1.109 3160 F CA -0.954 57.228 58.000 0.303 0.000 0.919 3160 F CB 1.820 40.976 39.000 0.260 0.000 1.211 3160 F HN 0.283 nan 8.300 nan 0.000 0.446 3161 Q N 5.497 125.546 119.800 0.414 0.000 2.389 3161 Q HA 0.351 4.691 4.340 -0.000 0.000 0.244 3161 Q C -0.815 175.298 176.000 0.189 0.000 1.056 3161 Q CA -0.212 55.839 55.803 0.414 0.000 0.908 3161 Q CB 0.690 29.577 28.738 0.248 0.000 1.273 3161 Q HN 0.926 nan 8.270 nan 0.000 0.471 3162 R N 1.561 122.129 120.500 0.112 0.000 2.680 3162 R HA 0.436 4.776 4.340 -0.000 0.000 0.269 3162 R C -1.626 174.638 176.300 -0.059 0.000 1.026 3162 R CA -0.957 55.115 56.100 -0.047 0.000 0.889 3162 R CB 1.239 31.402 30.300 -0.228 0.000 1.241 3162 R HN 0.167 nan 8.270 nan 0.000 0.463 3163 K N 2.728 123.078 120.400 -0.083 0.000 2.264 3163 K HA 0.261 4.580 4.320 -0.000 0.000 0.277 3163 K C -0.819 175.725 176.600 -0.093 0.000 1.067 3163 K CA -0.654 55.578 56.287 -0.092 0.000 0.900 3163 K CB 1.525 33.963 32.500 -0.103 0.000 1.124 3163 K HN 0.457 nan 8.250 nan 0.000 0.469 3164 V N 5.054 124.924 119.914 -0.072 0.000 2.521 3164 V HA -0.008 4.111 4.120 -0.000 0.000 0.286 3164 V C 1.021 177.053 176.094 -0.104 0.000 1.034 3164 V CA -0.004 62.257 62.300 -0.065 0.000 1.045 3164 V CB 1.182 32.996 31.823 -0.014 0.000 0.974 3164 V HN 0.861 nan 8.190 nan 0.000 0.480 3165 E N 2.587 122.726 120.200 -0.101 0.000 2.086 3165 E HA 0.037 4.387 4.350 -0.000 0.000 0.190 3165 E C 0.799 177.306 176.600 -0.155 0.000 0.975 3165 E CA 0.868 57.201 56.400 -0.111 0.000 0.813 3165 E CB 0.225 29.876 29.700 -0.082 0.000 0.768 3165 E HN 0.824 nan 8.360 nan 0.000 0.457 3166 S N -1.377 114.229 115.700 -0.157 0.000 2.596 3166 S HA 0.380 4.850 4.470 -0.000 0.000 0.270 3166 S C 0.321 174.815 174.600 -0.177 0.000 1.155 3166 S CA -0.746 57.323 58.200 -0.218 0.000 0.827 3166 S CB 0.250 63.399 63.200 -0.086 0.000 1.130 3166 S HN -0.106 nan 8.310 nan 0.000 0.467 3167 F N 2.051 122.033 119.950 0.052 0.000 2.186 3167 F HA -0.006 4.521 4.527 -0.000 0.000 0.299 3167 F C 2.763 178.588 175.800 0.040 0.000 1.090 3167 F CA 1.515 59.547 58.000 0.054 0.000 1.307 3167 F CB -0.510 38.527 39.000 0.062 0.000 1.019 3167 F HN 0.778 nan 8.300 nan 0.000 0.489 3168 E N 0.899 121.217 120.200 0.198 0.000 2.153 3168 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 3168 E C 1.912 178.558 176.600 0.077 0.000 0.988 3168 E CA 1.361 57.832 56.400 0.118 0.000 0.811 3168 E CB -0.970 28.782 29.700 0.087 0.000 0.746 3168 E HN 0.628 nan 8.360 nan 0.000 0.466 3169 E N 1.350 121.583 120.200 0.054 0.000 2.085 3169 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 3169 E C 2.195 178.830 176.600 0.058 0.000 0.994 3169 E CA 1.598 58.017 56.400 0.032 0.000 0.801 3169 E CB 0.145 29.846 29.700 0.002 0.000 0.743 3169 E HN 0.162 nan 8.360 nan 0.000 0.453 3170 V N 1.065 121.039 119.914 0.099 0.000 2.427 3170 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 3170 V C 2.439 178.593 176.094 0.099 0.000 1.051 3170 V CA 1.625 64.007 62.300 0.138 0.000 1.048 3170 V CB -0.592 31.342 31.823 0.185 0.000 0.666 3170 V HN 0.421 nan 8.190 nan 0.000 0.456 3171 A N -0.224 122.650 122.820 0.091 0.000 1.969 3171 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 3171 A C 2.333 179.942 177.584 0.043 0.000 1.169 3171 A CA 1.042 53.116 52.037 0.062 0.000 0.635 3171 A CB -0.387 18.652 19.000 0.065 0.000 0.810 3171 A HN 0.368 nan 8.150 nan 0.000 0.445 3172 R N 0.797 121.322 120.500 0.041 0.000 2.112 3172 R HA -0.194 4.146 4.340 -0.000 0.000 0.242 3172 R C 1.655 177.966 176.300 0.019 0.000 1.137 3172 R CA 1.851 57.966 56.100 0.025 0.000 0.944 3172 R CB -1.017 29.294 30.300 0.018 0.000 0.857 3172 R HN 0.918 nan 8.270 nan 0.000 0.435 3173 E N 0.315 120.529 120.200 0.023 0.000 2.438 3173 E HA 0.167 4.517 4.350 -0.000 0.000 0.192 3173 E C 0.080 176.690 176.600 0.017 0.000 1.110 3173 E CA 0.352 56.761 56.400 0.016 0.000 0.893 3173 E CB -0.206 29.502 29.700 0.013 0.000 0.990 3173 E HN 0.316 nan 8.360 nan 0.000 0.490 3174 G N 0.459 109.271 108.800 0.020 0.000 3.038 3174 G HA2 0.027 3.987 3.960 -0.000 0.000 0.241 3174 G HA3 0.027 3.987 3.960 -0.000 0.000 0.241 3174 G C -0.339 174.569 174.900 0.013 0.000 0.968 3174 G CA -0.221 44.888 45.100 0.014 0.000 0.949 3174 G HN 0.732 nan 8.290 nan 0.000 0.394 3175 A N 2.455 125.283 122.820 0.013 0.000 2.437 3175 A HA 0.755 5.075 4.320 -0.000 0.000 0.293 3175 A C 0.620 178.208 177.584 0.007 0.000 1.038 3175 A CA 0.208 52.249 52.037 0.006 0.000 0.708 3175 A CB 1.064 20.063 19.000 -0.002 0.000 1.251 3175 A HN 0.399 nan 8.150 nan 0.000 0.409 3176 D N 0.579 120.983 120.400 0.007 0.000 2.123 3176 D HA 0.015 4.655 4.640 -0.000 0.000 0.200 3176 D C 0.350 176.650 176.300 -0.001 0.000 0.976 3176 D CA 1.750 55.749 54.000 -0.002 0.000 0.831 3176 D CB 0.352 41.148 40.800 -0.005 0.000 0.974 3176 D HN 0.305 nan 8.370 nan 0.000 0.469 3177 V N 1.489 121.421 119.914 0.030 0.000 2.656 3177 V HA 0.370 4.490 4.120 -0.000 0.000 0.307 3177 V C -0.143 175.960 176.094 0.014 0.000 1.051 3177 V CA -0.709 61.613 62.300 0.037 0.000 0.893 3177 V CB 2.594 34.510 31.823 0.155 0.000 0.999 3177 V HN -0.082 nan 8.190 nan 0.000 0.426 3178 I N 3.966 124.525 120.570 -0.018 0.000 2.404 3178 I HA 0.505 4.675 4.170 -0.000 0.000 0.293 3178 I C -0.689 175.405 176.117 -0.038 0.000 0.992 3178 I CA -0.894 60.398 61.300 -0.014 0.000 1.149 3178 I CB 2.081 40.099 38.000 0.031 0.000 1.315 3178 I HN 0.283 nan 8.210 nan 0.000 0.446 3179 V N 4.764 124.673 119.914 -0.009 0.000 2.328 3179 V HA 0.262 4.382 4.120 -0.000 0.000 0.278 3179 V C -0.108 176.033 176.094 0.078 0.000 1.021 3179 V CA -0.692 61.608 62.300 0.001 0.000 0.838 3179 V CB 1.203 33.012 31.823 -0.023 0.000 0.999 3179 V HN 0.668 nan 8.190 nan 0.000 0.447 3180 N N 3.802 122.581 118.700 0.132 0.000 2.437 3180 N HA 0.282 5.022 4.740 -0.000 0.000 0.243 3180 N C -0.411 175.290 175.510 0.319 0.000 1.041 3180 N CA -0.233 53.001 53.050 0.306 0.000 0.940 3180 N CB 0.659 39.454 38.487 0.514 0.000 1.133 3180 N HN 0.692 nan 8.380 nan 0.000 0.506 3181 C N 2.626 122.072 119.300 0.243 0.000 3.114 3181 C HA 0.234 4.694 4.460 -0.000 0.000 0.215 3181 C C 1.407 176.517 174.990 0.201 0.000 1.759 3181 C CA -0.571 58.581 59.018 0.222 0.000 1.455 3181 C CB -1.286 26.534 27.740 0.133 0.000 2.528 3181 C HN 0.814 nan 8.230 nan 0.000 0.511 3182 T N -2.107 112.575 114.554 0.212 0.000 3.144 3182 T HA 0.441 4.791 4.350 -0.000 0.000 0.249 3182 T C 1.362 176.227 174.700 0.275 0.000 1.089 3182 T CA 0.767 62.984 62.100 0.195 0.000 0.989 3182 T CB 0.296 69.249 68.868 0.142 0.000 0.992 3182 T HN 1.019 nan 8.240 nan 0.000 0.540 3183 G N 1.397 110.339 108.800 0.236 0.000 2.556 3183 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.283 3183 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.283 3183 G C 0.845 175.788 174.900 0.072 0.000 1.177 3183 G CA 0.113 45.343 45.100 0.216 0.000 0.978 3183 G HN 0.617 nan 8.290 nan 0.000 0.554 3184 V N 0.965 120.804 119.914 -0.125 0.000 2.970 3184 V HA 0.062 4.181 4.120 -0.000 0.000 0.260 3184 V C 1.805 177.738 176.094 -0.268 0.000 1.100 3184 V CA 2.245 64.329 62.300 -0.360 0.000 1.122 3184 V CB -0.428 30.969 31.823 -0.710 0.000 0.721 3184 V HN 0.563 nan 8.190 nan 0.000 0.483 3185 W N -0.903 120.469 121.300 0.120 0.000 3.388 3185 W HA 0.344 5.004 4.660 -0.000 0.000 0.324 3185 W C 2.037 178.513 176.519 -0.072 0.000 1.250 3185 W CA 0.297 57.677 57.345 0.058 0.000 1.809 3185 W CB -0.511 28.962 29.460 0.021 0.000 1.083 3185 W HN 0.404 nan 8.180 nan 0.000 0.685 3186 A N 0.872 123.669 122.820 -0.038 0.000 1.972 3186 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 3186 A C 2.364 179.839 177.584 -0.182 0.000 1.169 3186 A CA 1.967 53.836 52.037 -0.281 0.000 0.635 3186 A CB -1.090 17.273 19.000 -1.061 0.000 0.810 3186 A HN 0.270 nan 8.150 nan 0.000 0.446 3187 G N -0.209 108.536 108.800 -0.092 0.000 2.469 3187 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.220 3187 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.220 3187 G C 1.705 176.588 174.900 -0.028 0.000 1.136 3187 G CA 1.438 46.522 45.100 -0.026 0.000 0.759 3187 G HN 0.840 nan 8.290 nan 0.000 0.562 3188 A N 0.335 123.135 122.820 -0.034 0.000 1.978 3188 A HA 0.073 4.393 4.320 -0.000 0.000 0.220 3188 A C 2.347 179.872 177.584 -0.097 0.000 1.170 3188 A CA 1.408 53.409 52.037 -0.060 0.000 0.636 3188 A CB -0.263 18.706 19.000 -0.051 0.000 0.810 3188 A HN 0.408 nan 8.150 nan 0.000 0.448 3189 L N -2.395 118.750 121.223 -0.131 0.000 2.416 3189 L HA 0.190 4.530 4.340 -0.000 0.000 0.216 3189 L C 1.054 177.871 176.870 -0.089 0.000 1.098 3189 L CA 0.267 54.940 54.840 -0.278 0.000 0.840 3189 L CB 0.096 41.777 42.059 -0.630 0.000 0.981 3189 L HN 0.502 nan 8.230 nan 0.000 0.462 3190 Q N 0.018 119.842 119.800 0.041 0.000 2.352 3190 Q HA 0.248 4.588 4.340 -0.000 0.000 0.270 3190 Q C -0.921 175.123 176.000 0.074 0.000 1.006 3190 Q CA -0.740 55.142 55.803 0.132 0.000 0.880 3190 Q CB 1.741 30.653 28.738 0.289 0.000 1.392 3190 Q HN 0.007 nan 8.270 nan 0.000 0.401 3191 R N 2.524 123.065 120.500 0.068 0.000 2.561 3191 R HA -0.030 4.310 4.340 -0.000 0.000 0.347 3191 R C -0.959 175.383 176.300 0.069 0.000 0.916 3191 R CA 0.798 56.931 56.100 0.055 0.000 1.063 3191 R CB 0.003 30.333 30.300 0.051 0.000 0.916 3191 R HN 0.468 nan 8.270 nan 0.000 0.410 3192 D N 5.008 125.450 120.400 0.071 0.000 2.375 3192 D HA 0.197 4.837 4.640 -0.000 0.000 0.259 3192 D C -1.648 174.705 176.300 0.087 0.000 1.235 3192 D CA -1.911 52.147 54.000 0.096 0.000 0.924 3192 D CB 1.455 42.351 40.800 0.161 0.000 1.143 3192 D HN 0.199 nan 8.370 nan 0.000 0.529 3193 P HA -0.002 nan 4.420 nan 0.000 0.230 3193 P C 1.482 178.823 177.300 0.069 0.000 1.158 3193 P CA 0.267 63.407 63.100 0.065 0.000 0.769 3193 P CB 0.624 32.356 31.700 0.053 0.000 0.807 3194 L N -1.474 119.795 121.223 0.078 0.000 2.341 3194 L HA 0.048 4.388 4.340 -0.000 0.000 0.214 3194 L C 1.260 178.185 176.870 0.091 0.000 1.115 3194 L CA -0.071 54.816 54.840 0.078 0.000 0.820 3194 L CB -0.393 41.709 42.059 0.073 0.000 0.944 3194 L HN 0.013 nan 8.230 nan 0.000 0.452 3195 L N 0.941 122.230 121.223 0.111 0.000 2.313 3195 L HA 0.253 4.593 4.340 -0.000 0.000 0.282 3195 L C -0.411 176.488 176.870 0.049 0.000 1.092 3195 L CA 0.576 55.480 54.840 0.106 0.000 0.831 3195 L CB 0.667 42.815 42.059 0.148 0.000 1.159 3195 L HN 0.082 nan 8.230 nan 0.000 0.442 3196 Q N 6.357 126.154 119.800 -0.006 0.000 2.359 3196 Q HA 0.476 4.816 4.340 -0.000 0.000 0.274 3196 Q C -2.545 173.299 176.000 -0.261 0.000 1.074 3196 Q CA -2.019 53.723 55.803 -0.101 0.000 0.810 3196 Q CB 2.632 31.348 28.738 -0.037 0.000 1.342 3196 Q HN 0.434 nan 8.270 nan 0.000 0.427 3197 P HA 0.038 nan 4.420 nan 0.000 0.276 3197 P C -0.380 176.667 177.300 -0.422 0.000 1.264 3197 P CA 0.067 62.732 63.100 -0.726 0.000 0.769 3197 P CB 0.388 31.147 31.700 -1.570 0.000 0.840 3198 G N 4.336 112.907 108.800 -0.382 0.000 2.857 3198 G HA2 0.146 4.106 3.960 -0.000 0.000 0.326 3198 G HA3 0.146 4.106 3.960 -0.000 0.000 0.326 3198 G C 0.256 174.837 174.900 -0.532 0.000 0.950 3198 G CA -0.543 44.172 45.100 -0.643 0.000 1.400 3198 G HN 0.439 nan 8.290 nan 0.000 0.473 3199 R N 1.514 121.869 120.500 -0.243 0.000 2.623 3199 R HA 0.394 4.734 4.340 -0.000 0.000 0.271 3199 R C 0.214 176.399 176.300 -0.192 0.000 1.043 3199 R CA 0.438 56.485 56.100 -0.088 0.000 1.083 3199 R CB 0.497 30.849 30.300 0.086 0.000 0.974 3199 R HN 0.443 nan 8.270 nan 0.000 0.436 3200 G N 2.207 110.879 108.800 -0.213 0.000 2.659 3200 G HA2 0.282 4.242 3.960 -0.000 0.000 0.296 3200 G HA3 0.282 4.242 3.960 -0.000 0.000 0.296 3200 G C -1.854 172.971 174.900 -0.126 0.000 1.369 3200 G CA -0.526 44.498 45.100 -0.128 0.000 0.937 3200 G HN 0.561 nan 8.290 nan 0.000 0.485 3201 Q N 0.248 120.009 119.800 -0.064 0.000 2.321 3201 Q HA 0.649 4.989 4.340 -0.000 0.000 0.270 3201 Q C -0.637 175.327 176.000 -0.059 0.000 1.032 3201 Q CA -0.802 54.965 55.803 -0.061 0.000 0.784 3201 Q CB 1.977 30.697 28.738 -0.029 0.000 1.264 3201 Q HN 0.710 nan 8.270 nan 0.000 0.448 3202 I N -0.510 120.026 120.570 -0.056 0.000 3.170 3202 I HA 0.700 4.870 4.170 -0.000 0.000 0.312 3202 I C -1.079 175.012 176.117 -0.045 0.000 1.085 3202 I CA -1.245 60.015 61.300 -0.066 0.000 0.999 3202 I CB 2.313 40.291 38.000 -0.036 0.000 1.233 3202 I HN 0.626 nan 8.210 nan 0.000 0.467 3203 M N 2.662 122.234 119.600 -0.047 0.000 2.204 3203 M HA 0.464 4.944 4.480 -0.000 0.000 0.293 3203 M C -1.481 174.817 176.300 -0.002 0.000 0.994 3203 M CA -0.637 54.652 55.300 -0.020 0.000 0.925 3203 M CB 1.491 34.074 32.600 -0.029 0.000 1.577 3203 M HN 0.502 nan 8.290 nan 0.000 0.439 3204 K N 3.189 123.594 120.400 0.008 0.000 2.172 3204 K HA 0.642 4.962 4.320 -0.000 0.000 0.276 3204 K C -1.160 175.453 176.600 0.023 0.000 1.013 3204 K CA -0.377 55.917 56.287 0.012 0.000 0.913 3204 K CB 2.084 34.589 32.500 0.009 0.000 1.055 3204 K HN 0.574 nan 8.250 nan 0.000 0.461 3205 V N 1.094 121.021 119.914 0.022 0.000 3.130 3205 V HA 0.240 4.360 4.120 -0.000 0.000 0.310 3205 V C -1.487 174.601 176.094 -0.010 0.000 1.158 3205 V CA -0.819 61.505 62.300 0.039 0.000 1.029 3205 V CB 2.642 34.527 31.823 0.104 0.000 1.057 3205 V HN 0.715 nan 8.190 nan 0.000 0.436 3206 D N 2.813 123.209 120.400 -0.007 0.000 2.472 3206 D HA 0.697 5.337 4.640 -0.000 0.000 0.234 3206 D C -0.404 175.792 176.300 -0.173 0.000 1.088 3206 D CA 0.095 54.062 54.000 -0.055 0.000 0.882 3206 D CB 1.197 42.001 40.800 0.007 0.000 1.037 3206 D HN 0.798 nan 8.370 nan 0.000 0.520 3207 A N 4.630 127.206 122.820 -0.405 0.000 3.127 3207 A HA 0.437 4.757 4.320 -0.000 0.000 0.319 3207 A C -2.143 174.894 177.584 -0.911 0.000 1.104 3207 A CA -0.944 50.429 52.037 -1.106 0.000 0.802 3207 A CB 1.049 19.363 19.000 -1.144 0.000 1.193 3207 A HN 0.315 nan 8.150 nan 0.000 0.479 3208 P HA -0.087 nan 4.420 nan 0.000 0.230 3208 P C 1.092 178.332 177.300 -0.099 0.000 1.158 3208 P CA 0.772 63.761 63.100 -0.185 0.000 0.769 3208 P CB -0.174 31.518 31.700 -0.013 0.000 0.807 3209 W N -2.129 119.185 121.300 0.024 0.000 2.800 3209 W HA 0.189 4.849 4.660 -0.000 0.000 0.249 3209 W C 0.326 176.869 176.519 0.041 0.000 1.294 3209 W CA -0.025 57.336 57.345 0.027 0.000 1.402 3209 W CB -1.275 28.203 29.460 0.029 0.000 1.126 3209 W HN -0.276 nan 8.180 nan 0.000 0.652 3210 M N 2.933 122.346 119.600 -0.311 0.000 2.292 3210 M HA 0.084 4.564 4.480 -0.000 0.000 0.342 3210 M C 0.606 176.886 176.300 -0.034 0.000 1.538 3210 M CA 0.455 55.691 55.300 -0.106 0.000 1.163 3210 M CB 0.785 33.267 32.600 -0.198 0.000 1.823 3210 M HN 0.044 nan 8.290 nan 0.000 0.462 3211 K N 1.960 122.364 120.400 0.007 0.000 2.355 3211 K HA 0.190 4.510 4.320 -0.000 0.000 0.198 3211 K C -0.063 176.366 176.600 -0.285 0.000 1.039 3211 K CA 0.332 56.534 56.287 -0.142 0.000 1.075 3211 K CB 0.412 32.789 32.500 -0.204 0.000 0.870 3211 K HN 0.639 nan 8.250 nan 0.000 0.540 3212 H N -0.438 118.677 119.070 0.073 0.000 2.731 3212 H HA 0.364 4.920 4.556 -0.000 0.000 0.368 3212 H C -0.309 175.036 175.328 0.027 0.000 1.168 3212 H CA -1.076 54.951 56.048 -0.034 0.000 1.181 3212 H CB 1.070 30.824 29.762 -0.013 0.000 1.743 3212 H HN -0.091 nan 8.280 nan 0.000 0.547 3213 F N -0.062 119.968 119.950 0.134 0.000 2.370 3213 F HA 0.648 5.175 4.527 -0.000 0.000 0.324 3213 F C -0.747 175.121 175.800 0.113 0.000 1.116 3213 F CA -0.986 57.065 58.000 0.084 0.000 1.123 3213 F CB 0.376 39.383 39.000 0.010 0.000 1.238 3213 F HN 0.245 nan 8.300 nan 0.000 0.536 3214 I N 3.280 124.055 120.570 0.341 0.000 2.512 3214 I HA 0.357 4.527 4.170 -0.000 0.000 0.287 3214 I C -1.204 174.986 176.117 0.122 0.000 1.069 3214 I CA -0.529 60.867 61.300 0.159 0.000 1.056 3214 I CB 1.966 39.972 38.000 0.009 0.000 1.229 3214 I HN 0.536 nan 8.210 nan 0.000 0.429 3215 L N 5.382 126.620 121.223 0.026 0.000 2.362 3215 L HA 0.615 4.955 4.340 -0.000 0.000 0.275 3215 L C 0.003 176.578 176.870 -0.491 0.000 0.998 3215 L CA -0.619 54.132 54.840 -0.149 0.000 0.820 3215 L CB 2.287 44.289 42.059 -0.095 0.000 1.270 3215 L HN 0.602 nan 8.230 nan 0.000 0.415 3216 T N -2.037 112.181 114.554 -0.559 0.000 2.895 3216 T HA 0.568 4.918 4.350 -0.000 0.000 0.283 3216 T C -0.444 173.789 174.700 -0.777 0.000 1.014 3216 T CA -0.712 60.950 62.100 -0.729 0.000 1.037 3216 T CB 1.496 70.027 68.868 -0.562 0.000 1.006 3216 T HN 0.454 nan 8.240 nan 0.000 0.468 3217 H N 1.363 120.171 119.070 -0.436 0.000 2.690 3217 H HA 0.625 5.181 4.556 -0.000 0.000 0.368 3217 H C -1.281 174.026 175.328 -0.034 0.000 1.150 3217 H CA -0.646 55.253 56.048 -0.249 0.000 1.174 3217 H CB 2.332 31.858 29.762 -0.393 0.000 1.684 3217 H HN 0.741 nan 8.280 nan 0.000 0.538 3218 D N 2.530 123.032 120.400 0.171 0.000 2.764 3218 D HA 0.178 4.818 4.640 -0.000 0.000 0.227 3218 D C -2.240 174.146 176.300 0.142 0.000 1.347 3218 D CA -1.732 52.399 54.000 0.219 0.000 0.953 3218 D CB 2.360 43.296 40.800 0.227 0.000 1.476 3218 D HN 0.108 nan 8.370 nan 0.000 0.585 3219 P HA -0.084 nan 4.420 nan 0.000 0.217 3219 P C 1.107 178.431 177.300 0.040 0.000 1.150 3219 P CA 0.836 63.979 63.100 0.072 0.000 0.832 3219 P CB 0.617 32.362 31.700 0.075 0.000 0.787 3220 E N -0.201 120.032 120.200 0.054 0.000 2.065 3220 E HA -0.201 4.149 4.350 -0.000 0.000 0.201 3220 E C 2.095 178.709 176.600 0.023 0.000 1.016 3220 E CA 1.489 57.908 56.400 0.031 0.000 0.818 3220 E CB -0.283 29.435 29.700 0.031 0.000 0.749 3220 E HN 0.091 nan 8.360 nan 0.000 0.453 3221 R N -1.146 119.375 120.500 0.036 0.000 2.210 3221 R HA 0.200 4.540 4.340 -0.000 0.000 0.203 3221 R C 0.571 176.865 176.300 -0.011 0.000 1.010 3221 R CA 0.534 56.650 56.100 0.027 0.000 1.008 3221 R CB 0.446 30.779 30.300 0.054 0.000 0.923 3221 R HN 0.262 nan 8.270 nan 0.000 0.469 3222 G N 1.375 110.152 108.800 -0.040 0.000 2.707 3222 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.686 3222 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.686 3222 G C -0.648 174.144 174.900 -0.181 0.000 1.315 3222 G CA -0.659 44.360 45.100 -0.136 0.000 0.832 3222 G HN 0.150 nan 8.290 nan 0.000 0.573 3223 I N 0.615 120.976 120.570 -0.349 0.000 2.775 3223 I HA 0.374 4.544 4.170 -0.000 0.000 0.290 3223 I C 1.179 177.139 176.117 -0.262 0.000 1.203 3223 I CA 0.588 61.625 61.300 -0.437 0.000 1.433 3223 I CB -0.444 37.143 38.000 -0.688 0.000 1.354 3223 I HN 1.116 nan 8.210 nan 0.000 0.579 3224 Y N 3.900 124.227 120.300 0.045 0.000 4.324 3224 Y HA -0.312 4.238 4.550 -0.000 0.000 0.224 3224 Y C 1.143 177.188 175.900 0.242 0.000 1.113 3224 Y CA 1.114 59.323 58.100 0.182 0.000 1.887 3224 Y CB -2.400 36.243 38.460 0.305 0.000 1.602 3224 Y HN 0.788 nan 8.280 nan 0.000 0.654 3225 N N -0.607 118.236 118.700 0.238 0.000 2.275 3225 N HA 0.222 4.962 4.740 -0.000 0.000 0.236 3225 N C -0.307 175.282 175.510 0.132 0.000 1.154 3225 N CA 0.612 53.775 53.050 0.188 0.000 0.866 3225 N CB 0.354 38.911 38.487 0.118 0.000 1.093 3225 N HN 0.187 nan 8.380 nan 0.000 0.515 3226 S N 0.504 116.288 115.700 0.140 0.000 2.541 3226 S HA 0.506 4.976 4.470 -0.000 0.000 0.280 3226 S C -2.791 171.864 174.600 0.091 0.000 1.112 3226 S CA -1.243 57.012 58.200 0.092 0.000 0.925 3226 S CB 1.509 64.741 63.200 0.055 0.000 1.067 3226 S HN -0.039 nan 8.310 nan 0.000 0.479 3227 P HA 0.178 nan 4.420 nan 0.000 0.264 3227 P C -1.431 175.888 177.300 0.032 0.000 1.179 3227 P CA 0.462 63.550 63.100 -0.020 0.000 0.763 3227 P CB -0.116 31.573 31.700 -0.020 0.000 0.806 3228 Y N 0.355 120.621 120.300 -0.057 0.000 2.519 3228 Y HA 0.743 5.293 4.550 -0.000 0.000 0.336 3228 Y C -1.625 174.256 175.900 -0.032 0.000 1.089 3228 Y CA -1.458 56.605 58.100 -0.062 0.000 1.025 3228 Y CB 0.873 39.296 38.460 -0.062 0.000 1.318 3228 Y HN 0.133 nan 8.280 nan 0.000 0.452 3229 I N 4.956 125.656 120.570 0.217 0.000 2.447 3229 I HA 0.510 4.680 4.170 -0.000 0.000 0.287 3229 I C -1.105 175.146 176.117 0.222 0.000 1.023 3229 I CA -0.656 60.730 61.300 0.145 0.000 1.083 3229 I CB 1.902 39.950 38.000 0.080 0.000 1.245 3229 I HN 0.616 nan 8.210 nan 0.000 0.434 3230 I N 7.980 128.666 120.570 0.193 0.000 2.476 3230 I HA 0.333 4.503 4.170 -0.000 0.000 0.281 3230 I C -2.534 173.662 176.117 0.131 0.000 1.040 3230 I CA -1.869 59.540 61.300 0.181 0.000 1.094 3230 I CB 1.905 39.978 38.000 0.122 0.000 1.219 3230 I HN 0.216 nan 8.210 nan 0.000 0.450 3231 P HA 0.131 nan 4.420 nan 0.000 0.271 3231 P C 0.278 177.684 177.300 0.176 0.000 1.226 3231 P CA 0.077 63.239 63.100 0.103 0.000 0.765 3231 P CB 0.876 32.630 31.700 0.091 0.000 0.835 3232 G N 1.177 110.055 108.800 0.130 0.000 2.583 3232 G HA2 0.203 4.163 3.960 -0.000 0.000 0.280 3232 G HA3 0.203 4.163 3.960 -0.000 0.000 0.280 3232 G C 1.090 176.072 174.900 0.137 0.000 1.376 3232 G CA -0.103 45.119 45.100 0.203 0.000 1.043 3232 G HN 0.380 nan 8.290 nan 0.000 0.538 3233 T N -1.330 113.287 114.554 0.105 0.000 2.737 3233 T HA -0.073 4.277 4.350 -0.000 0.000 0.265 3233 T C 1.899 176.535 174.700 -0.107 0.000 1.038 3233 T CA 1.992 64.023 62.100 -0.114 0.000 1.144 3233 T CB -0.153 68.693 68.868 -0.037 0.000 0.866 3233 T HN 0.373 nan 8.240 nan 0.000 0.434 3234 Q N -0.671 119.104 119.800 -0.042 0.000 2.369 3234 Q HA 0.266 4.605 4.340 -0.000 0.000 0.254 3234 Q C 0.756 176.733 176.000 -0.039 0.000 0.858 3234 Q CA 0.247 56.024 55.803 -0.043 0.000 0.961 3234 Q CB 1.149 29.874 28.738 -0.022 0.000 1.119 3234 Q HN 0.393 nan 8.270 nan 0.000 0.538 3235 T N -0.019 114.521 114.554 -0.024 0.000 2.901 3235 T HA 0.565 4.915 4.350 -0.000 0.000 0.293 3235 T C -1.286 173.401 174.700 -0.023 0.000 1.084 3235 T CA -0.534 61.551 62.100 -0.026 0.000 1.008 3235 T CB 1.913 70.777 68.868 -0.006 0.000 1.170 3235 T HN -0.188 nan 8.240 nan 0.000 0.509 3236 V N 2.907 122.798 119.914 -0.039 0.000 2.459 3236 V HA 0.470 4.590 4.120 -0.000 0.000 0.295 3236 V C 0.301 176.395 176.094 0.000 0.000 1.029 3236 V CA -0.674 61.609 62.300 -0.029 0.000 0.874 3236 V CB 1.862 33.629 31.823 -0.092 0.000 0.985 3236 V HN 1.047 nan 8.190 nan 0.000 0.438 3237 T N 6.421 120.992 114.554 0.029 0.000 2.780 3237 T HA 0.533 4.883 4.350 -0.000 0.000 0.294 3237 T C -0.485 174.217 174.700 0.004 0.000 0.949 3237 T CA -0.206 61.912 62.100 0.031 0.000 1.074 3237 T CB 0.657 69.570 68.868 0.074 0.000 0.910 3237 T HN 0.190 nan 8.240 nan 0.000 0.501 3238 L N 3.531 124.719 121.223 -0.059 0.000 2.313 3238 L HA 0.758 5.098 4.340 -0.000 0.000 0.283 3238 L C 0.637 177.305 176.870 -0.336 0.000 1.013 3238 L CA 0.175 54.919 54.840 -0.160 0.000 0.816 3238 L CB 1.288 43.306 42.059 -0.069 0.000 1.236 3238 L HN 0.864 nan 8.230 nan 0.000 0.419 3239 G N 0.680 109.006 108.800 -0.790 0.000 2.975 3239 G HA2 0.632 4.592 3.960 -0.000 0.000 0.291 3239 G HA3 0.632 4.592 3.960 -0.000 0.000 0.291 3239 G C -0.209 174.136 174.900 -0.924 0.000 1.334 3239 G CA -0.224 44.249 45.100 -1.045 0.000 0.843 3239 G HN 0.854 nan 8.290 nan 0.000 0.548 3240 G N -1.162 107.333 108.800 -0.508 0.000 2.542 3240 G HA2 0.112 4.072 3.960 -0.000 0.000 0.223 3240 G HA3 0.112 4.072 3.960 -0.000 0.000 0.223 3240 G C -0.508 174.453 174.900 0.101 0.000 1.041 3240 G CA -0.277 44.788 45.100 -0.058 0.000 0.928 3240 G HN 0.609 nan 8.290 nan 0.000 0.558 3241 I N 0.453 121.111 120.570 0.146 0.000 2.545 3241 I HA 0.743 4.913 4.170 -0.000 0.000 0.292 3241 I C -1.269 175.002 176.117 0.257 0.000 1.040 3241 I CA -1.245 60.151 61.300 0.161 0.000 1.068 3241 I CB 2.187 40.230 38.000 0.073 0.000 1.251 3241 I HN 0.039 nan 8.210 nan 0.000 0.424 3242 F N 5.527 125.535 119.950 0.097 0.000 2.915 3242 F HA 0.434 4.961 4.527 -0.000 0.000 0.350 3242 F C -1.331 174.503 175.800 0.057 0.000 1.248 3242 F CA -0.343 57.714 58.000 0.094 0.000 1.084 3242 F CB 1.392 40.472 39.000 0.134 0.000 1.391 3242 F HN 0.368 nan 8.300 nan 0.000 0.548 3243 Q N 6.555 126.494 119.800 0.232 0.000 2.320 3243 Q HA 0.499 4.839 4.340 -0.000 0.000 0.268 3243 Q C -1.019 175.042 176.000 0.102 0.000 1.023 3243 Q CA -0.747 55.171 55.803 0.191 0.000 0.744 3243 Q CB 2.825 31.625 28.738 0.102 0.000 1.246 3243 Q HN 0.620 nan 8.270 nan 0.000 0.462 3244 L N 1.385 122.720 121.223 0.187 0.000 2.456 3244 L HA 0.222 4.562 4.340 -0.000 0.000 0.272 3244 L C 1.333 178.193 176.870 -0.016 0.000 1.189 3244 L CA 0.930 55.825 54.840 0.092 0.000 0.846 3244 L CB 0.354 42.502 42.059 0.150 0.000 1.111 3244 L HN 1.059 nan 8.230 nan 0.000 0.475 3245 G N 1.809 110.528 108.800 -0.135 0.000 2.189 3245 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.267 3245 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.267 3245 G C 0.284 175.084 174.900 -0.165 0.000 0.975 3245 G CA 0.230 45.237 45.100 -0.155 0.000 0.644 3245 G HN 0.662 nan 8.290 nan 0.000 0.537 3246 N N -0.174 118.430 118.700 -0.160 0.000 2.408 3246 N HA 0.364 5.104 4.740 -0.000 0.000 0.257 3246 N C 0.466 175.894 175.510 -0.138 0.000 1.064 3246 N CA -0.812 52.209 53.050 -0.049 0.000 0.952 3246 N CB 0.353 38.864 38.487 0.040 0.000 1.093 3246 N HN 0.308 nan 8.380 nan 0.000 0.490 3247 W N 1.715 122.975 121.300 -0.067 0.000 3.220 3247 W HA 0.246 4.906 4.660 -0.000 0.000 0.328 3247 W C 1.007 177.529 176.519 0.005 0.000 1.205 3247 W CA -0.433 56.736 57.345 -0.293 0.000 1.773 3247 W CB 0.410 29.705 29.460 -0.275 0.000 1.086 3247 W HN 0.418 nan 8.180 nan 0.000 0.622 3248 S N 1.906 117.832 115.700 0.377 0.000 2.437 3248 S HA -0.027 4.443 4.470 -0.000 0.000 0.304 3248 S C 0.349 175.225 174.600 0.461 0.000 1.167 3248 S CA -0.173 58.241 58.200 0.355 0.000 1.106 3248 S CB -0.020 63.310 63.200 0.218 0.000 1.099 3248 S HN 0.255 nan 8.310 nan 0.000 0.524 3249 E N 4.837 125.359 120.200 0.538 0.000 2.110 3249 E HA 0.295 4.645 4.350 -0.000 0.000 0.300 3249 E C -0.766 175.933 176.600 0.166 0.000 1.278 3249 E CA -0.272 56.346 56.400 0.363 0.000 1.365 3249 E CB -0.017 29.973 29.700 0.483 0.000 1.283 3249 E HN 0.558 nan 8.360 nan 0.000 0.490 3250 L N 1.999 123.290 121.223 0.113 0.000 2.482 3250 L HA 0.416 4.756 4.340 -0.000 0.000 0.263 3250 L C -1.380 175.517 176.870 0.045 0.000 0.957 3250 L CA -0.778 54.106 54.840 0.074 0.000 0.836 3250 L CB 1.880 43.990 42.059 0.085 0.000 1.324 3250 L HN 0.019 nan 8.230 nan 0.000 0.406 3251 N N 2.866 121.583 118.700 0.029 0.000 2.452 3251 N HA 0.095 4.835 4.740 -0.000 0.000 0.266 3251 N C -0.750 174.782 175.510 0.036 0.000 1.209 3251 N CA 0.220 53.287 53.050 0.028 0.000 0.929 3251 N CB 0.333 38.836 38.487 0.026 0.000 1.063 3251 N HN 0.611 nan 8.380 nan 0.000 0.472 3252 N N 2.509 121.237 118.700 0.047 0.000 2.414 3252 N HA 0.124 4.863 4.740 -0.000 0.000 0.256 3252 N C 1.344 176.891 175.510 0.063 0.000 1.029 3252 N CA -0.457 52.624 53.050 0.051 0.000 0.948 3252 N CB 0.571 39.092 38.487 0.058 0.000 1.102 3252 N HN 0.421 nan 8.380 nan 0.000 0.496 3253 I N 2.328 122.916 120.570 0.030 0.000 2.315 3253 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 3253 I C 1.712 177.873 176.117 0.073 0.000 1.125 3253 I CA 1.581 62.886 61.300 0.008 0.000 1.392 3253 I CB -0.280 37.691 38.000 -0.049 0.000 1.065 3253 I HN 0.750 nan 8.210 nan 0.000 0.424 3254 Q N 0.924 120.766 119.800 0.069 0.000 2.020 3254 Q HA -0.181 4.159 4.340 -0.000 0.000 0.198 3254 Q C 1.817 177.878 176.000 0.101 0.000 0.974 3254 Q CA 1.871 57.722 55.803 0.080 0.000 0.829 3254 Q CB -0.248 28.527 28.738 0.061 0.000 0.894 3254 Q HN 0.404 nan 8.270 nan 0.000 0.433 3255 D N -0.923 119.532 120.400 0.092 0.000 2.158 3255 D HA -0.209 4.431 4.640 -0.000 0.000 0.197 3255 D C 1.738 178.102 176.300 0.107 0.000 0.995 3255 D CA 1.608 55.659 54.000 0.085 0.000 0.846 3255 D CB -0.396 40.444 40.800 0.066 0.000 0.941 3255 D HN 0.552 nan 8.370 nan 0.000 0.456 3256 H N 0.870 119.959 119.070 0.030 0.000 2.319 3256 H HA -0.108 4.448 4.556 -0.000 0.000 0.297 3256 H C 1.717 177.096 175.328 0.084 0.000 1.097 3256 H CA 2.020 58.090 56.048 0.036 0.000 1.285 3256 H CB 0.161 29.923 29.762 0.001 0.000 1.368 3256 H HN -0.021 nan 8.280 nan 0.000 0.495 3257 N N -0.472 118.399 118.700 0.285 0.000 2.244 3257 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 3257 N C 1.851 177.459 175.510 0.163 0.000 1.016 3257 N CA 1.548 54.749 53.050 0.251 0.000 0.866 3257 N CB -0.564 38.039 38.487 0.194 0.000 0.980 3257 N HN 0.413 nan 8.380 nan 0.000 0.430 3258 T N 2.410 117.030 114.554 0.109 0.000 2.737 3258 T HA 0.008 4.358 4.350 -0.000 0.000 0.265 3258 T C 1.969 176.693 174.700 0.039 0.000 1.038 3258 T CA 0.531 62.673 62.100 0.070 0.000 1.144 3258 T CB -0.019 68.885 68.868 0.060 0.000 0.866 3258 T HN 0.092 nan 8.240 nan 0.000 0.434 3259 I N 0.258 120.835 120.570 0.012 0.000 2.091 3259 I HA -0.223 3.947 4.170 -0.000 0.000 0.239 3259 I C 2.347 178.462 176.117 -0.003 0.000 1.061 3259 I CA 1.543 62.818 61.300 -0.041 0.000 1.317 3259 I CB -1.259 36.690 38.000 -0.086 0.000 1.031 3259 I HN 0.525 nan 8.210 nan 0.000 0.401 3260 W N 1.907 123.105 121.300 -0.171 0.000 2.363 3260 W HA -0.231 4.429 4.660 -0.000 0.000 0.296 3260 W C 2.333 178.824 176.519 -0.046 0.000 1.212 3260 W CA 1.530 58.795 57.345 -0.132 0.000 1.260 3260 W CB 0.031 29.391 29.460 -0.168 0.000 1.131 3260 W HN 0.185 nan 8.180 nan 0.000 0.530 3261 E N -0.316 119.911 120.200 0.045 0.000 2.152 3261 E HA -0.033 4.317 4.350 -0.000 0.000 0.192 3261 E C 2.394 178.951 176.600 -0.072 0.000 0.983 3261 E CA 1.680 58.068 56.400 -0.020 0.000 0.818 3261 E CB -0.838 28.900 29.700 0.064 0.000 0.758 3261 E HN 0.250 nan 8.360 nan 0.000 0.467 3262 G N -0.627 108.142 108.800 -0.052 0.000 2.394 3262 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.215 3262 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.215 3262 G C 1.697 176.551 174.900 -0.077 0.000 1.165 3262 G CA 0.854 45.932 45.100 -0.037 0.000 0.784 3262 G HN 0.365 nan 8.290 nan 0.000 0.535 3263 C N -0.063 119.147 119.300 -0.150 0.000 2.468 3263 C HA 0.072 4.531 4.460 -0.000 0.000 0.277 3263 C C 2.995 177.843 174.990 -0.236 0.000 1.400 3263 C CA 0.139 59.051 59.018 -0.177 0.000 1.770 3263 C CB -1.137 26.485 27.740 -0.197 0.000 1.905 3263 C HN 0.571 nan 8.230 nan 0.000 0.519 3264 C N 0.039 119.127 119.300 -0.355 0.000 2.475 3264 C HA -0.037 4.423 4.460 -0.000 0.000 0.279 3264 C C 2.869 177.769 174.990 -0.150 0.000 1.322 3264 C CA 0.730 59.541 59.018 -0.344 0.000 1.734 3264 C CB -1.226 26.210 27.740 -0.507 0.000 2.005 3264 C HN 0.631 nan 8.230 nan 0.000 0.495 3265 R N 0.454 120.898 120.500 -0.093 0.000 2.148 3265 R HA 0.006 4.345 4.340 -0.000 0.000 0.227 3265 R C 2.083 178.402 176.300 0.032 0.000 1.103 3265 R CA 0.959 57.048 56.100 -0.019 0.000 0.983 3265 R CB -0.238 30.065 30.300 0.005 0.000 0.874 3265 R HN 0.493 nan 8.270 nan 0.000 0.451 3266 L N -0.078 121.167 121.223 0.036 0.000 2.127 3266 L HA 0.017 4.357 4.340 -0.000 0.000 0.203 3266 L C -0.028 176.909 176.870 0.113 0.000 1.080 3266 L CA 1.001 55.906 54.840 0.108 0.000 0.768 3266 L CB 0.261 42.356 42.059 0.061 0.000 0.924 3266 L HN 0.125 nan 8.230 nan 0.000 0.444 3267 E N -0.821 119.402 120.200 0.038 0.000 2.580 3267 E HA 0.222 4.572 4.350 -0.000 0.000 0.248 3267 E C -2.093 174.511 176.600 0.007 0.000 1.018 3267 E CA -1.993 54.438 56.400 0.052 0.000 0.775 3267 E CB 1.308 31.057 29.700 0.081 0.000 1.378 3267 E HN -0.054 nan 8.360 nan 0.000 0.401 3268 P HA -0.127 nan 4.420 nan 0.000 0.222 3268 P C 1.087 178.394 177.300 0.012 0.000 1.147 3268 P CA 1.293 64.381 63.100 -0.019 0.000 0.790 3268 P CB 0.157 31.846 31.700 -0.018 0.000 0.780 3269 T N -3.442 111.155 114.554 0.072 0.000 3.007 3269 T HA -0.090 4.260 4.350 -0.000 0.000 0.270 3269 T C 1.568 176.446 174.700 0.297 0.000 1.107 3269 T CA 0.706 62.882 62.100 0.126 0.000 1.118 3269 T CB -0.954 68.017 68.868 0.172 0.000 0.889 3269 T HN -0.108 nan 8.240 nan 0.000 0.506 3270 L N 0.471 121.811 121.223 0.195 0.000 2.275 3270 L HA 0.276 4.615 4.340 -0.000 0.000 0.215 3270 L C 2.526 179.449 176.870 0.088 0.000 1.119 3270 L CA 1.186 56.103 54.840 0.128 0.000 0.790 3270 L CB -0.891 41.081 42.059 -0.144 0.000 0.919 3270 L HN 0.189 nan 8.230 nan 0.000 0.443 3271 K N -0.021 120.408 120.400 0.048 0.000 2.218 3271 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 3271 K C 1.329 178.108 176.600 0.299 0.000 1.046 3271 K CA 1.028 57.412 56.287 0.161 0.000 0.933 3271 K CB -0.057 32.498 32.500 0.092 0.000 0.728 3271 K HN 0.310 nan 8.250 nan 0.000 0.454 3272 N N -0.160 118.695 118.700 0.259 0.000 2.270 3272 N HA 0.094 4.834 4.740 -0.000 0.000 0.198 3272 N C -0.647 175.078 175.510 0.357 0.000 1.117 3272 N CA 0.229 53.428 53.050 0.248 0.000 0.845 3272 N CB 0.673 39.232 38.487 0.120 0.000 0.980 3272 N HN 0.086 nan 8.380 nan 0.000 0.486 3273 A N 0.908 123.995 122.820 0.445 0.000 2.327 3273 A HA 0.467 4.787 4.320 -0.000 0.000 0.283 3273 A C 0.380 178.143 177.584 0.298 0.000 1.127 3273 A CA -0.397 51.875 52.037 0.392 0.000 0.810 3273 A CB 0.762 19.946 19.000 0.306 0.000 1.066 3273 A HN 0.072 nan 8.150 nan 0.000 0.492 3274 R N 2.039 122.650 120.500 0.186 0.000 2.234 3274 R HA 0.422 4.762 4.340 -0.000 0.000 0.324 3274 R C -0.687 175.653 176.300 0.067 0.000 1.054 3274 R CA -0.476 55.685 56.100 0.102 0.000 0.912 3274 R CB -0.254 30.094 30.300 0.081 0.000 1.030 3274 R HN 0.614 nan 8.270 nan 0.000 0.455 3275 I N 6.582 127.159 120.570 0.012 0.000 2.452 3275 I HA 0.018 4.187 4.170 -0.000 0.000 0.287 3275 I C 0.865 176.982 176.117 0.000 0.000 1.079 3275 I CA -0.244 61.052 61.300 -0.007 0.000 1.387 3275 I CB 0.789 38.738 38.000 -0.085 0.000 1.404 3275 I HN 0.567 nan 8.210 nan 0.000 0.522 3276 I N 4.362 124.938 120.570 0.010 0.000 3.228 3276 I HA 0.289 4.459 4.170 -0.000 0.000 0.279 3276 I C 1.100 177.220 176.117 0.005 0.000 1.221 3276 I CA 0.474 61.778 61.300 0.007 0.000 1.458 3276 I CB -1.005 37.000 38.000 0.008 0.000 1.105 3276 I HN 0.801 nan 8.210 nan 0.000 0.445 3277 G N 0.824 109.629 108.800 0.008 0.000 2.341 3277 G HA2 0.251 4.211 3.960 -0.000 0.000 0.293 3277 G HA3 0.251 4.211 3.960 -0.000 0.000 0.293 3277 G C -1.473 173.437 174.900 0.017 0.000 1.298 3277 G CA -0.752 44.355 45.100 0.011 0.000 0.868 3277 G HN 0.106 nan 8.290 nan 0.000 0.540 3278 E N -0.401 119.810 120.200 0.018 0.000 2.331 3278 E HA 0.684 5.033 4.350 -0.000 0.000 0.275 3278 E C -0.682 175.921 176.600 0.003 0.000 0.895 3278 E CA -0.847 55.565 56.400 0.019 0.000 0.753 3278 E CB 2.941 32.671 29.700 0.051 0.000 1.216 3278 E HN 0.487 nan 8.360 nan 0.000 0.434 3279 R N 0.536 121.029 120.500 -0.012 0.000 2.774 3279 R HA 0.563 4.903 4.340 -0.000 0.000 0.272 3279 R C -1.194 175.067 176.300 -0.065 0.000 1.000 3279 R CA -0.748 55.334 56.100 -0.030 0.000 0.906 3279 R CB 2.583 32.868 30.300 -0.026 0.000 1.227 3279 R HN 0.396 nan 8.270 nan 0.000 0.468 3280 T N 0.221 114.710 114.554 -0.107 0.000 2.863 3280 T HA 0.679 5.029 4.350 -0.000 0.000 0.285 3280 T C -0.535 173.959 174.700 -0.344 0.000 1.009 3280 T CA -0.707 61.267 62.100 -0.210 0.000 0.989 3280 T CB 1.989 70.734 68.868 -0.205 0.000 1.004 3280 T HN 0.733 nan 8.240 nan 0.000 0.455 3281 G N 1.013 109.530 108.800 -0.472 0.000 2.672 3281 G HA2 0.698 4.658 3.960 -0.000 0.000 0.292 3281 G HA3 0.698 4.658 3.960 -0.000 0.000 0.292 3281 G C -1.877 172.570 174.900 -0.754 0.000 1.375 3281 G CA -0.706 44.063 45.100 -0.552 0.000 0.890 3281 G HN 0.505 nan 8.290 nan 0.000 0.476 3282 F N 0.768 120.629 119.950 -0.148 0.000 2.403 3282 F HA 0.508 5.035 4.527 -0.000 0.000 0.355 3282 F C 0.917 176.534 175.800 -0.306 0.000 1.119 3282 F CA -0.919 56.892 58.000 -0.315 0.000 1.007 3282 F CB 1.714 40.419 39.000 -0.493 0.000 1.194 3282 F HN 0.111 nan 8.300 nan 0.000 0.443 3283 R N 3.368 123.771 120.500 -0.161 0.000 2.489 3283 R HA 0.178 4.518 4.340 -0.000 0.000 0.287 3283 R C -2.395 173.826 176.300 -0.133 0.000 1.053 3283 R CA -1.454 54.563 56.100 -0.138 0.000 1.036 3283 R CB 0.055 30.254 30.300 -0.170 0.000 0.966 3283 R HN 0.235 nan 8.270 nan 0.000 0.432 3284 P HA 0.050 nan 4.420 nan 0.000 0.244 3284 P C -0.598 176.720 177.300 0.029 0.000 1.769 3284 P CA -0.111 62.970 63.100 -0.031 0.000 1.102 3284 P CB 0.339 32.075 31.700 0.060 0.000 1.937 3285 V N 4.219 124.146 119.914 0.023 0.000 2.446 3285 V HA 0.158 4.278 4.120 -0.000 0.000 0.276 3285 V C 0.938 177.100 176.094 0.113 0.000 1.030 3285 V CA 0.443 62.817 62.300 0.123 0.000 1.033 3285 V CB -0.279 31.649 31.823 0.174 0.000 0.993 3285 V HN 0.390 nan 8.190 nan 0.000 0.477 3286 R N 5.973 126.555 120.500 0.137 0.000 2.698 3286 R HA 0.414 4.754 4.340 -0.000 0.000 0.275 3286 R C -1.850 174.528 176.300 0.131 0.000 1.001 3286 R CA -1.526 54.644 56.100 0.117 0.000 0.896 3286 R CB 2.601 32.960 30.300 0.098 0.000 1.218 3286 R HN 0.386 nan 8.270 nan 0.000 0.462 3287 P HA -0.185 nan 4.420 nan 0.000 0.219 3287 P C -0.688 176.680 177.300 0.113 0.000 1.146 3287 P CA 1.269 64.433 63.100 0.106 0.000 0.808 3287 P CB 0.308 32.049 31.700 0.069 0.000 0.779 3288 Q N -1.795 118.056 119.800 0.086 0.000 2.472 3288 Q HA 0.448 4.788 4.340 -0.000 0.000 0.281 3288 Q C -0.844 175.167 176.000 0.017 0.000 0.997 3288 Q CA -1.082 54.770 55.803 0.082 0.000 0.828 3288 Q CB 0.702 29.472 28.738 0.053 0.000 1.443 3288 Q HN -0.163 nan 8.270 nan 0.000 0.390 3289 I N 1.623 122.193 120.570 0.000 0.000 2.775 3289 I HA -0.026 4.143 4.170 -0.000 0.000 0.290 3289 I C 0.592 176.624 176.117 -0.143 0.000 1.203 3289 I CA 0.408 61.612 61.300 -0.159 0.000 1.433 3289 I CB 0.217 38.107 38.000 -0.182 0.000 1.354 3289 I HN 0.482 nan 8.210 nan 0.000 0.579 3290 R N 6.386 126.689 120.500 -0.329 0.000 2.408 3290 R HA 0.297 4.637 4.340 -0.000 0.000 0.308 3290 R C -1.346 174.807 176.300 -0.245 0.000 1.210 3290 R CA -0.730 55.156 56.100 -0.357 0.000 1.115 3290 R CB 0.262 30.133 30.300 -0.714 0.000 1.127 3290 R HN 0.362 nan 8.270 nan 0.000 0.523 3291 L N 5.327 126.509 121.223 -0.068 0.000 2.324 3291 L HA 0.385 4.725 4.340 -0.000 0.000 0.274 3291 L C -0.936 175.951 176.870 0.029 0.000 1.012 3291 L CA -0.165 54.658 54.840 -0.027 0.000 0.859 3291 L CB 0.892 42.892 42.059 -0.097 0.000 1.224 3291 L HN 0.742 nan 8.230 nan 0.000 0.429 3292 E N 3.701 123.923 120.200 0.036 0.000 2.422 3292 E HA 0.454 4.803 4.350 -0.000 0.000 0.280 3292 E C -1.331 175.285 176.600 0.026 0.000 1.091 3292 E CA -1.084 55.344 56.400 0.046 0.000 0.849 3292 E CB 1.251 30.987 29.700 0.060 0.000 1.353 3292 E HN 0.388 nan 8.360 nan 0.000 0.449 3293 R N 0.315 120.818 120.500 0.005 0.000 2.500 3293 R HA 0.436 4.776 4.340 -0.000 0.000 0.277 3293 R C -0.712 175.568 176.300 -0.034 0.000 1.026 3293 R CA -0.464 55.611 56.100 -0.042 0.000 1.058 3293 R CB 1.275 31.552 30.300 -0.038 0.000 1.078 3293 R HN 0.632 nan 8.270 nan 0.000 0.509 3294 E N 1.556 121.698 120.200 -0.097 0.000 2.313 3294 E HA 0.054 4.404 4.350 -0.000 0.000 0.280 3294 E C -1.449 175.090 176.600 -0.101 0.000 0.898 3294 E CA -0.383 55.976 56.400 -0.068 0.000 0.803 3294 E CB 1.380 31.064 29.700 -0.026 0.000 1.286 3294 E HN 0.446 nan 8.360 nan 0.000 0.401 3295 Q N 3.793 123.558 119.800 -0.058 0.000 2.678 3295 Q HA 0.200 4.540 4.340 -0.000 0.000 0.222 3295 Q C -0.375 175.600 176.000 -0.041 0.000 1.281 3295 Q CA -0.417 55.352 55.803 -0.056 0.000 0.994 3295 Q CB 0.428 29.142 28.738 -0.040 0.000 1.452 3295 Q HN 0.356 nan 8.270 nan 0.000 0.570 3296 L N 2.888 124.075 121.223 -0.060 0.000 2.433 3296 L HA 0.067 4.407 4.340 -0.000 0.000 0.275 3296 L C 0.019 176.888 176.870 -0.002 0.000 1.128 3296 L CA 0.423 55.246 54.840 -0.028 0.000 0.875 3296 L CB 0.266 42.292 42.059 -0.055 0.000 1.171 3296 L HN 0.377 nan 8.230 nan 0.000 0.463 3297 R N 3.240 123.749 120.500 0.014 0.000 2.343 3297 R HA 0.213 4.553 4.340 -0.000 0.000 0.326 3297 R C -0.193 176.124 176.300 0.029 0.000 1.055 3297 R CA 0.012 56.122 56.100 0.017 0.000 0.961 3297 R CB 0.243 30.553 30.300 0.017 0.000 0.978 3297 R HN 0.591 nan 8.270 nan 0.000 0.443 3298 T N 2.399 116.968 114.554 0.024 0.000 3.103 3298 T HA 0.431 4.781 4.350 -0.000 0.000 0.352 3298 T C 0.353 175.066 174.700 0.022 0.000 1.048 3298 T CA 0.534 62.654 62.100 0.032 0.000 1.175 3298 T CB 0.479 69.375 68.868 0.045 0.000 1.029 3298 T HN 0.924 nan 8.240 nan 0.000 0.498 3299 G N 6.467 115.279 108.800 0.019 0.000 2.512 3299 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.254 3299 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.254 3299 G C -1.226 173.679 174.900 0.009 0.000 1.199 3299 G CA 0.086 45.194 45.100 0.013 0.000 0.941 3299 G HN 0.630 nan 8.290 nan 0.000 0.569 3300 P HA 0.140 nan 4.420 nan 0.000 0.213 3300 P C 1.120 178.420 177.300 -0.000 0.000 1.169 3300 P CA 1.893 64.995 63.100 0.002 0.000 0.885 3300 P CB -0.448 31.252 31.700 0.001 0.000 0.779 3301 S N 2.176 117.875 115.700 -0.001 0.000 2.422 3301 S HA 0.280 4.750 4.470 -0.000 0.000 0.298 3301 S C 0.308 174.906 174.600 -0.004 0.000 1.118 3301 S CA -1.030 57.166 58.200 -0.005 0.000 1.083 3301 S CB 0.077 63.273 63.200 -0.007 0.000 0.971 3301 S HN 0.169 nan 8.310 nan 0.000 0.478 3302 N N 2.252 120.947 118.700 -0.008 0.000 2.525 3302 N HA 0.234 4.974 4.740 -0.000 0.000 0.271 3302 N C -0.052 175.447 175.510 -0.018 0.000 1.194 3302 N CA -0.458 52.586 53.050 -0.010 0.000 0.964 3302 N CB 0.570 39.050 38.487 -0.012 0.000 1.126 3302 N HN 0.728 nan 8.380 nan 0.000 0.452 3303 T N -1.917 112.626 114.554 -0.017 0.000 2.945 3303 T HA 0.342 4.692 4.350 -0.000 0.000 0.286 3303 T C -0.134 174.533 174.700 -0.054 0.000 1.025 3303 T CA -0.965 61.118 62.100 -0.027 0.000 1.039 3303 T CB 1.699 70.563 68.868 -0.008 0.000 1.068 3303 T HN 0.372 nan 8.240 nan 0.000 0.497 3304 E N 1.176 121.337 120.200 -0.066 0.000 2.249 3304 E HA 0.480 4.830 4.350 -0.000 0.000 0.280 3304 E C -0.775 175.744 176.600 -0.136 0.000 1.016 3304 E CA -0.591 55.751 56.400 -0.096 0.000 0.830 3304 E CB 2.027 31.674 29.700 -0.090 0.000 1.081 3304 E HN 0.469 nan 8.360 nan 0.000 0.395 3305 V N 4.549 124.330 119.914 -0.221 0.000 2.448 3305 V HA 0.385 4.504 4.120 -0.000 0.000 0.295 3305 V C 0.146 176.023 176.094 -0.362 0.000 1.025 3305 V CA -0.647 61.431 62.300 -0.370 0.000 0.859 3305 V CB 1.386 32.802 31.823 -0.678 0.000 0.988 3305 V HN 0.509 nan 8.190 nan 0.000 0.431 3306 I N 4.532 124.939 120.570 -0.271 0.000 2.330 3306 I HA 0.408 4.578 4.170 -0.000 0.000 0.289 3306 I C -0.193 175.809 176.117 -0.192 0.000 1.001 3306 I CA -0.477 60.707 61.300 -0.193 0.000 1.193 3306 I CB 0.914 38.882 38.000 -0.053 0.000 1.345 3306 I HN 0.654 nan 8.210 nan 0.000 0.461 3307 H N 4.984 124.057 119.070 0.005 0.000 2.548 3307 H HA 0.297 4.853 4.556 -0.000 0.000 0.331 3307 H C 0.000 175.349 175.328 0.034 0.000 1.093 3307 H CA -0.278 55.815 56.048 0.074 0.000 1.367 3307 H CB 0.816 30.611 29.762 0.055 0.000 1.455 3307 H HN 0.404 nan 8.280 nan 0.000 0.519 3308 N N 3.025 121.884 118.700 0.265 0.000 2.732 3308 N HA 0.080 4.820 4.740 -0.000 0.000 0.247 3308 N C -2.003 173.743 175.510 0.394 0.000 1.305 3308 N CA -0.584 52.584 53.050 0.196 0.000 0.762 3308 N CB 0.226 38.788 38.487 0.125 0.000 1.361 3308 N HN 0.603 nan 8.380 nan 0.000 0.545 3309 Y N -1.027 119.424 120.300 0.252 0.000 2.656 3309 Y HA 0.678 5.228 4.550 -0.000 0.000 0.334 3309 Y C 0.477 176.417 175.900 0.066 0.000 1.179 3309 Y CA -0.757 57.498 58.100 0.259 0.000 1.050 3309 Y CB 0.897 39.474 38.460 0.194 0.000 1.308 3309 Y HN 0.267 nan 8.280 nan 0.000 0.456 3310 G N 1.295 110.316 108.800 0.368 0.000 2.215 3310 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.198 3310 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.198 3310 G C -0.498 174.333 174.900 -0.115 0.000 1.047 3310 G CA 0.124 45.300 45.100 0.126 0.000 0.747 3310 G HN 1.051 nan 8.290 nan 0.000 0.495 3311 H N 0.026 119.027 119.070 -0.115 0.000 2.533 3311 H HA 0.422 4.978 4.556 -0.000 0.000 0.271 3311 H C 2.275 177.231 175.328 -0.620 0.000 1.000 3311 H CA 1.120 56.909 56.048 -0.433 0.000 1.149 3311 H CB 0.143 29.720 29.762 -0.308 0.000 1.375 3311 H HN 1.149 nan 8.280 nan 0.000 0.582 3312 G N 0.835 109.556 108.800 -0.132 0.000 2.698 3312 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.346 3312 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.346 3312 G C 1.326 176.254 174.900 0.045 0.000 1.287 3312 G CA 0.483 45.610 45.100 0.045 0.000 0.990 3312 G HN 0.612 nan 8.290 nan 0.000 0.545 3313 G N -0.743 108.236 108.800 0.299 0.000 3.814 3313 G HA2 0.540 4.500 3.960 -0.000 0.000 0.293 3313 G HA3 0.540 4.500 3.960 -0.000 0.000 0.293 3313 G C 0.243 175.270 174.900 0.211 0.000 1.243 3313 G CA 1.015 46.300 45.100 0.308 0.000 1.053 3313 G HN 1.540 nan 8.290 nan 0.000 0.562 3314 Y N -4.341 115.931 120.300 -0.048 0.000 2.926 3314 Y HA 0.348 4.898 4.550 -0.000 0.000 0.258 3314 Y C 1.473 177.349 175.900 -0.039 0.000 1.110 3314 Y CA -0.738 57.266 58.100 -0.160 0.000 1.224 3314 Y CB -0.168 38.065 38.460 -0.378 0.000 1.276 3314 Y HN -0.028 nan 8.280 nan 0.000 0.595 3315 G N 2.105 110.846 108.800 -0.099 0.000 2.476 3315 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 3315 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 3315 G C 1.324 176.261 174.900 0.061 0.000 1.164 3315 G CA 1.600 46.673 45.100 -0.045 0.000 0.768 3315 G HN 0.316 nan 8.290 nan 0.000 0.560 3316 L N 0.853 122.097 121.223 0.036 0.000 2.109 3316 L HA -0.015 4.325 4.340 -0.000 0.000 0.207 3316 L C 3.042 180.072 176.870 0.266 0.000 1.086 3316 L CA 1.770 56.660 54.840 0.084 0.000 0.760 3316 L CB -1.614 40.421 42.059 -0.040 0.000 0.910 3316 L HN 0.206 nan 8.230 nan 0.000 0.437 3317 T N -0.469 114.133 114.554 0.079 0.000 2.881 3317 T HA -0.126 4.224 4.350 -0.000 0.000 0.270 3317 T C 1.831 176.617 174.700 0.143 0.000 1.068 3317 T CA 1.195 63.229 62.100 -0.109 0.000 1.131 3317 T CB 0.137 68.666 68.868 -0.564 0.000 0.871 3317 T HN 0.206 nan 8.240 nan 0.000 0.479 3318 I N -0.049 120.671 120.570 0.249 0.000 4.327 3318 I HA 0.118 4.287 4.170 -0.000 0.000 0.331 3318 I C 1.878 178.140 176.117 0.241 0.000 1.348 3318 I CA -0.098 61.387 61.300 0.308 0.000 1.152 3318 I CB 0.247 38.507 38.000 0.433 0.000 1.151 3318 I HN 0.321 nan 8.210 nan 0.000 0.410 3319 H N -0.662 118.523 119.070 0.191 0.000 2.353 3319 H HA -0.287 4.269 4.556 -0.000 0.000 0.298 3319 H C 2.042 177.461 175.328 0.151 0.000 1.103 3319 H CA 2.248 58.369 56.048 0.123 0.000 1.293 3319 H CB -0.732 29.115 29.762 0.142 0.000 1.372 3319 H HN 0.520 nan 8.280 nan 0.000 0.501 3320 W N 2.676 123.548 121.300 -0.713 0.000 2.407 3320 W HA -0.007 4.653 4.660 -0.000 0.000 0.305 3320 W C 2.464 178.826 176.519 -0.262 0.000 1.196 3320 W CA 1.384 58.428 57.345 -0.502 0.000 1.311 3320 W CB -0.449 28.636 29.460 -0.625 0.000 1.135 3320 W HN 0.436 nan 8.180 nan 0.000 0.514 3321 G N 0.760 109.528 108.800 -0.054 0.000 2.513 3321 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.219 3321 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.219 3321 G C 1.529 176.139 174.900 -0.483 0.000 1.160 3321 G CA 1.583 46.641 45.100 -0.071 0.000 0.767 3321 G HN 0.345 nan 8.290 nan 0.000 0.571 3322 C N 0.782 119.804 119.300 -0.463 0.000 2.413 3322 C HA 0.119 4.579 4.460 -0.000 0.000 0.276 3322 C C 3.563 178.257 174.990 -0.493 0.000 1.248 3322 C CA 1.018 59.655 59.018 -0.635 0.000 1.742 3322 C CB -1.011 26.599 27.740 -0.215 0.000 2.017 3322 C HN 0.593 nan 8.230 nan 0.000 0.481 3323 A N -0.043 122.527 122.820 -0.418 0.000 1.930 3323 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 3323 A C 2.095 179.387 177.584 -0.487 0.000 1.175 3323 A CA 1.316 53.104 52.037 -0.415 0.000 0.627 3323 A CB -0.524 18.203 19.000 -0.456 0.000 0.815 3323 A HN 0.627 nan 8.150 nan 0.000 0.443 3324 L N -0.899 119.957 121.223 -0.612 0.000 2.093 3324 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 3324 L C 2.634 179.339 176.870 -0.275 0.000 1.085 3324 L CA 1.636 56.200 54.840 -0.459 0.000 0.755 3324 L CB -0.407 41.386 42.059 -0.444 0.000 0.904 3324 L HN 0.487 nan 8.230 nan 0.000 0.435 3325 E N 0.836 120.831 120.200 -0.341 0.000 2.106 3325 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 3325 E C 2.080 178.576 176.600 -0.174 0.000 0.984 3325 E CA 1.484 57.729 56.400 -0.257 0.000 0.806 3325 E CB -0.068 29.307 29.700 -0.543 0.000 0.750 3325 E HN 0.335 nan 8.360 nan 0.000 0.458 3326 A N 0.578 123.269 122.820 -0.215 0.000 1.969 3326 A HA 0.074 4.394 4.320 -0.000 0.000 0.218 3326 A C 2.376 179.951 177.584 -0.015 0.000 1.169 3326 A CA 1.685 53.657 52.037 -0.109 0.000 0.635 3326 A CB -0.766 18.159 19.000 -0.125 0.000 0.810 3326 A HN 0.384 nan 8.150 nan 0.000 0.445 3327 A N -0.148 122.649 122.820 -0.038 0.000 1.929 3327 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 3327 A C 2.080 179.813 177.584 0.248 0.000 1.176 3327 A CA 1.537 53.640 52.037 0.110 0.000 0.628 3327 A CB -0.319 18.666 19.000 -0.024 0.000 0.816 3327 A HN 0.511 nan 8.150 nan 0.000 0.444 3328 K N -0.250 120.217 120.400 0.111 0.000 2.026 3328 K HA -0.052 4.268 4.320 -0.000 0.000 0.208 3328 K C 1.817 178.481 176.600 0.107 0.000 1.048 3328 K CA 1.431 57.792 56.287 0.124 0.000 0.929 3328 K CB -0.412 32.127 32.500 0.065 0.000 0.713 3328 K HN 0.456 nan 8.250 nan 0.000 0.439 3329 L N 0.003 121.269 121.223 0.073 0.000 2.083 3329 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 3329 L C 2.375 179.267 176.870 0.038 0.000 1.083 3329 L CA 0.954 55.818 54.840 0.040 0.000 0.752 3329 L CB -0.429 41.644 42.059 0.023 0.000 0.899 3329 L HN 0.115 nan 8.230 nan 0.000 0.433 3330 F N 1.083 120.999 119.950 -0.058 0.000 2.095 3330 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 3330 F C 2.296 177.947 175.800 -0.248 0.000 1.104 3330 F CA 1.637 59.559 58.000 -0.130 0.000 1.232 3330 F CB -0.740 38.206 39.000 -0.090 0.000 0.987 3330 F HN -0.004 nan 8.300 nan 0.000 0.475 3331 G N 0.404 109.110 108.800 -0.157 0.000 2.469 3331 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 3331 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 3331 G C 1.830 176.594 174.900 -0.226 0.000 1.136 3331 G CA 0.790 45.723 45.100 -0.278 0.000 0.759 3331 G HN 0.322 nan 8.290 nan 0.000 0.562 3332 R N -0.109 120.313 120.500 -0.130 0.000 2.120 3332 R HA 0.036 4.376 4.340 -0.000 0.000 0.234 3332 R C 2.521 178.717 176.300 -0.174 0.000 1.123 3332 R CA 0.948 56.981 56.100 -0.112 0.000 0.975 3332 R CB -0.400 29.866 30.300 -0.057 0.000 0.866 3332 R HN 0.433 nan 8.270 nan 0.000 0.446 3333 I N 0.848 121.261 120.570 -0.262 0.000 2.439 3333 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 3333 I C 2.240 178.147 176.117 -0.349 0.000 1.139 3333 I CA 0.967 62.087 61.300 -0.299 0.000 1.438 3333 I CB -0.195 37.594 38.000 -0.351 0.000 1.085 3333 I HN 0.106 nan 8.210 nan 0.000 0.427 3334 L N 0.816 121.763 121.223 -0.461 0.000 2.056 3334 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 3334 L C 2.677 179.412 176.870 -0.226 0.000 1.078 3334 L CA 1.706 56.309 54.840 -0.394 0.000 0.749 3334 L CB -0.683 41.090 42.059 -0.476 0.000 0.901 3334 L HN 0.396 nan 8.230 nan 0.000 0.433 3335 E N 0.092 120.185 120.200 -0.179 0.000 2.274 3335 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 3335 E C 1.602 178.145 176.600 -0.096 0.000 0.996 3335 E CA 0.989 57.323 56.400 -0.110 0.000 0.840 3335 E CB -0.091 29.563 29.700 -0.076 0.000 0.772 3335 E HN 0.552 nan 8.360 nan 0.000 0.491 3336 E N 0.634 120.765 120.200 -0.114 0.000 2.250 3336 E HA 0.000 4.350 4.350 -0.000 0.000 0.192 3336 E C 1.727 178.272 176.600 -0.091 0.000 0.986 3336 E CA 0.181 56.526 56.400 -0.092 0.000 0.849 3336 E CB 0.265 29.911 29.700 -0.091 0.000 0.797 3336 E HN 0.115 nan 8.360 nan 0.000 0.482 3337 K N 0.788 121.118 120.400 -0.115 0.000 2.362 3337 K HA -0.081 4.239 4.320 -0.000 0.000 0.200 3337 K C 0.542 177.093 176.600 -0.081 0.000 1.046 3337 K CA 0.553 56.780 56.287 -0.101 0.000 0.952 3337 K CB 0.021 32.446 32.500 -0.126 0.000 0.753 3337 K HN 0.036 nan 8.250 nan 0.000 0.466 3338 K N -0.231 120.120 120.400 -0.082 0.000 3.209 3338 K HA -0.180 4.140 4.320 -0.000 0.000 0.289 3338 K C 0.263 176.827 176.600 -0.061 0.000 1.191 3338 K CA 0.316 56.565 56.287 -0.064 0.000 0.851 3338 K CB -1.354 31.117 32.500 -0.047 0.000 1.242 3338 K HN 0.028 nan 8.250 nan 0.000 0.480 3339 L N 0.851 122.027 121.223 -0.078 0.000 2.779 3339 L HA 0.148 4.488 4.340 -0.000 0.000 0.239 3339 L C 0.682 177.508 176.870 -0.072 0.000 1.245 3339 L CA 0.342 55.139 54.840 -0.071 0.000 1.064 3339 L CB 0.171 42.181 42.059 -0.082 0.000 1.350 3339 L HN 0.206 nan 8.230 nan 0.000 0.455 3340 S N 0.000 115.662 115.700 -0.064 0.000 2.498 3340 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 3340 S CA 0.000 58.168 58.200 -0.053 0.000 1.107 3340 S CB 0.000 63.174 63.200 -0.043 0.000 0.593 3340 S HN 0.000 nan 8.310 nan 0.000 0.517