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 1wvi_1_C DATA FIRST_RESID 3002 DATA SEQUENCE TYKGYLIDLD GTIYKGKDRI PAGEDFVKRL QERQLPYILV TNNTTRTPEM DATA SEQUENCE VQEMLATSFN IKTPLETIYT ATLATIDYMN DMKRGKTAYV IGETGLKKAV DATA SEQUENCE AEAGYREDSE NPAYVVVGLD TNLTYEKLTL ATLAIQKGAV FIGTNPDLNI DATA SEQUENCE PTERGLLPGA GAILFLLEKA TRVKPIIIGK PEAVIMNKAL DRLGVKRHEA DATA SEQUENCE IMVGDNYLTD ITAGIKNDIA TLLVTTGFTK PEEVPALPIQ PDFVLSSLAE DATA SEQUENCE WDF 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 3002 T HA 0.000 nan 4.350 nan 0.000 0.228 3002 T C 0.000 174.580 174.700 -0.200 0.000 1.109 3002 T CA 0.000 62.014 62.100 -0.143 0.000 1.349 3002 T CB 0.000 68.856 68.868 -0.020 0.000 0.612 3003 Y N 2.421 122.825 120.300 0.174 0.000 2.316 3003 Y HA 0.387 4.937 4.550 0.001 0.000 0.331 3003 Y C 1.636 177.619 175.900 0.137 0.000 1.083 3003 Y CA -0.573 57.587 58.100 0.101 0.000 1.206 3003 Y CB 1.090 39.567 38.460 0.029 0.000 1.195 3003 Y HN 0.424 nan 8.280 nan 0.000 0.497 3004 K N 1.978 122.492 120.400 0.190 0.000 2.352 3004 K HA 0.264 4.584 4.320 0.001 0.000 0.194 3004 K C 0.546 177.264 176.600 0.196 0.000 1.038 3004 K CA 0.265 56.656 56.287 0.173 0.000 1.023 3004 K CB 0.760 33.305 32.500 0.075 0.000 0.840 3004 K HN 0.802 nan 8.250 nan 0.000 0.519 3005 G N 0.222 109.088 108.800 0.110 0.000 2.659 3005 G HA2 0.553 4.513 3.960 0.001 0.000 0.296 3005 G HA3 0.553 4.513 3.960 0.001 0.000 0.296 3005 G C -1.813 173.066 174.900 -0.035 0.000 1.369 3005 G CA -0.426 44.758 45.100 0.139 0.000 0.937 3005 G HN -0.087 nan 8.290 nan 0.000 0.485 3006 Y N 0.274 120.670 120.300 0.161 0.000 2.361 3006 Y HA 0.529 5.079 4.550 0.001 0.000 0.337 3006 Y C 0.100 176.082 175.900 0.137 0.000 0.965 3006 Y CA -0.784 57.405 58.100 0.149 0.000 1.091 3006 Y CB 2.300 40.894 38.460 0.222 0.000 1.182 3006 Y HN 0.275 nan 8.280 nan 0.000 0.450 3007 L N 5.585 126.896 121.223 0.147 0.000 2.282 3007 L HA 0.636 4.977 4.340 0.001 0.000 0.288 3007 L C -0.736 176.203 176.870 0.115 0.000 1.033 3007 L CA -0.500 54.408 54.840 0.112 0.000 0.807 3007 L CB 1.147 43.225 42.059 0.032 0.000 1.209 3007 L HN 0.541 nan 8.230 nan 0.000 0.423 3008 I N 1.675 122.328 120.570 0.139 0.000 2.533 3008 I HA 0.263 4.433 4.170 0.001 0.000 0.290 3008 I C -0.574 175.575 176.117 0.053 0.000 1.056 3008 I CA -0.723 60.634 61.300 0.094 0.000 1.057 3008 I CB 2.375 40.472 38.000 0.163 0.000 1.240 3008 I HN 0.470 nan 8.210 nan 0.000 0.423 3009 D N 4.324 124.717 120.400 -0.012 0.000 2.339 3009 D HA 0.291 4.932 4.640 0.001 0.000 0.245 3009 D C 0.410 176.689 176.300 -0.036 0.000 1.115 3009 D CA 0.142 54.122 54.000 -0.033 0.000 0.917 3009 D CB 1.269 42.023 40.800 -0.077 0.000 1.192 3009 D HN 0.385 nan 8.370 nan 0.000 0.428 3010 L N 0.962 122.167 121.223 -0.030 0.000 2.140 3010 L HA 0.123 4.463 4.340 0.001 0.000 0.201 3010 L C 0.631 177.327 176.870 -0.290 0.000 1.191 3010 L CA 0.038 54.873 54.840 -0.007 0.000 0.825 3010 L CB -0.378 41.756 42.059 0.125 0.000 0.970 3010 L HN 0.461 nan 8.230 nan 0.000 0.477 3011 D N -0.433 119.727 120.400 -0.399 0.000 2.450 3011 D HA 0.293 4.934 4.640 0.001 0.000 0.247 3011 D C 0.763 176.767 176.300 -0.493 0.000 1.162 3011 D CA 1.396 54.927 54.000 -0.783 0.000 0.879 3011 D CB 0.928 41.478 40.800 -0.418 0.000 1.163 3011 D HN 0.552 nan 8.370 nan 0.000 0.472 3012 G N 2.410 110.881 108.800 -0.547 0.000 2.234 3012 G HA2 -0.293 3.667 3.960 0.001 0.000 0.235 3012 G HA3 -0.293 3.667 3.960 0.001 0.000 0.235 3012 G C 1.145 175.905 174.900 -0.232 0.000 0.997 3012 G CA 0.575 45.507 45.100 -0.280 0.000 0.623 3012 G HN 0.572 nan 8.290 nan 0.000 0.514 3013 T N 0.399 114.788 114.554 -0.275 0.000 3.111 3013 T HA 0.282 4.632 4.350 0.001 0.000 0.236 3013 T C 2.138 176.728 174.700 -0.182 0.000 0.984 3013 T CA 1.143 63.120 62.100 -0.205 0.000 1.195 3013 T CB 0.012 68.771 68.868 -0.182 0.000 0.929 3013 T HN 0.833 nan 8.240 nan 0.000 0.431 3014 I N -0.324 120.155 120.570 -0.152 0.000 3.928 3014 I HA 0.465 4.635 4.170 0.001 0.000 0.335 3014 I C -0.211 175.898 176.117 -0.013 0.000 1.325 3014 I CA -0.677 60.597 61.300 -0.043 0.000 1.107 3014 I CB -0.033 37.996 38.000 0.049 0.000 1.014 3014 I HN 0.357 nan 8.210 nan 0.000 0.400 3015 Y N -0.593 119.534 120.300 -0.288 0.000 2.841 3015 Y HA 0.514 5.064 4.550 0.001 0.000 0.373 3015 Y C -1.799 173.954 175.900 -0.245 0.000 1.170 3015 Y CA -1.850 56.010 58.100 -0.400 0.000 1.196 3015 Y CB 0.476 38.310 38.460 -1.045 0.000 1.433 3015 Y HN 0.014 nan 8.280 nan 0.000 0.479 3016 K N 2.484 122.803 120.400 -0.135 0.000 2.637 3016 K HA 0.566 4.886 4.320 0.001 0.000 0.248 3016 K C 0.440 177.073 176.600 0.055 0.000 0.971 3016 K CA 0.132 56.330 56.287 -0.148 0.000 0.858 3016 K CB 1.285 33.736 32.500 -0.081 0.000 1.170 3016 K HN 1.754 nan 8.250 nan 0.000 0.443 3017 G N 3.926 112.767 108.800 0.069 0.000 2.583 3017 G HA2 -0.380 3.580 3.960 0.001 0.000 0.292 3017 G HA3 -0.380 3.580 3.960 0.001 0.000 0.292 3017 G C 0.260 175.354 174.900 0.323 0.000 1.203 3017 G CA 0.519 45.721 45.100 0.171 0.000 0.987 3017 G HN 0.588 nan 8.290 nan 0.000 0.554 3018 K N 1.815 122.361 120.400 0.243 0.000 2.361 3018 K HA 0.259 4.579 4.320 0.001 0.000 0.196 3018 K C 0.491 177.277 176.600 0.311 0.000 1.039 3018 K CA 0.823 57.266 56.287 0.259 0.000 1.001 3018 K CB 0.033 32.616 32.500 0.139 0.000 0.795 3018 K HN 0.503 nan 8.250 nan 0.000 0.495 3019 D N 1.583 122.137 120.400 0.258 0.000 2.339 3019 D HA 0.085 4.725 4.640 0.001 0.000 0.245 3019 D C 0.284 176.764 176.300 0.300 0.000 1.115 3019 D CA -0.091 54.045 54.000 0.226 0.000 0.917 3019 D CB 0.747 41.626 40.800 0.131 0.000 1.192 3019 D HN 0.097 nan 8.370 nan 0.000 0.428 3020 R N 0.510 121.174 120.500 0.273 0.000 2.782 3020 R HA 0.755 5.096 4.340 0.001 0.000 0.258 3020 R C -0.407 175.962 176.300 0.116 0.000 1.055 3020 R CA -0.922 55.322 56.100 0.241 0.000 1.065 3020 R CB 1.119 31.658 30.300 0.398 0.000 1.172 3020 R HN 0.312 nan 8.270 nan 0.000 0.510 3021 I N 1.783 122.396 120.570 0.071 0.000 2.521 3021 I HA 0.215 4.386 4.170 0.001 0.000 0.277 3021 I C -1.668 174.482 176.117 0.055 0.000 1.054 3021 I CA -2.399 58.924 61.300 0.040 0.000 1.117 3021 I CB 2.264 40.258 38.000 -0.009 0.000 1.217 3021 I HN 0.479 nan 8.210 nan 0.000 0.469 3022 P HA -0.270 nan 4.420 nan 0.000 0.217 3022 P C 1.406 178.748 177.300 0.069 0.000 1.151 3022 P CA 1.613 64.755 63.100 0.071 0.000 0.849 3022 P CB 0.417 32.154 31.700 0.063 0.000 0.787 3023 A N 0.223 123.077 122.820 0.058 0.000 1.933 3023 A HA -0.049 4.271 4.320 0.001 0.000 0.218 3023 A C 2.631 180.269 177.584 0.090 0.000 1.175 3023 A CA 2.020 54.099 52.037 0.070 0.000 0.628 3023 A CB -1.829 17.198 19.000 0.044 0.000 0.814 3023 A HN 0.319 nan 8.150 nan 0.000 0.444 3024 G N -0.268 108.561 108.800 0.048 0.000 2.414 3024 G HA2 -0.194 3.766 3.960 0.001 0.000 0.215 3024 G HA3 -0.194 3.766 3.960 0.001 0.000 0.215 3024 G C 1.390 176.356 174.900 0.111 0.000 1.188 3024 G CA 0.932 46.057 45.100 0.042 0.000 0.783 3024 G HN 0.649 nan 8.290 nan 0.000 0.537 3025 E N 0.321 120.575 120.200 0.091 0.000 2.085 3025 E HA -0.155 4.195 4.350 0.001 0.000 0.194 3025 E C 2.084 178.736 176.600 0.086 0.000 0.994 3025 E CA 1.192 57.648 56.400 0.093 0.000 0.801 3025 E CB -0.141 29.619 29.700 0.101 0.000 0.743 3025 E HN 0.478 nan 8.360 nan 0.000 0.453 3026 D N 0.026 120.485 120.400 0.099 0.000 2.144 3026 D HA -0.180 4.460 4.640 0.001 0.000 0.199 3026 D C 1.629 177.992 176.300 0.104 0.000 0.984 3026 D CA 0.682 54.734 54.000 0.087 0.000 0.834 3026 D CB -0.138 40.720 40.800 0.097 0.000 0.955 3026 D HN 0.111 nan 8.370 nan 0.000 0.465 3027 F N 0.193 120.146 119.950 0.006 0.000 2.095 3027 F HA -0.205 4.323 4.527 0.001 0.000 0.298 3027 F C 2.104 177.859 175.800 -0.076 0.000 1.104 3027 F CA 1.255 59.265 58.000 0.017 0.000 1.232 3027 F CB -0.178 38.809 39.000 -0.021 0.000 0.987 3027 F HN -0.099 nan 8.300 nan 0.000 0.475 3028 V N 0.547 120.456 119.914 -0.008 0.000 2.307 3028 V HA -0.303 3.818 4.120 0.001 0.000 0.245 3028 V C 2.264 178.176 176.094 -0.303 0.000 1.045 3028 V CA 2.189 64.333 62.300 -0.261 0.000 1.024 3028 V CB -0.712 31.027 31.823 -0.140 0.000 0.651 3028 V HN 0.275 nan 8.190 nan 0.000 0.449 3029 K N -0.111 120.201 120.400 -0.147 0.000 2.063 3029 K HA -0.178 4.143 4.320 0.001 0.000 0.208 3029 K C 2.401 178.887 176.600 -0.190 0.000 1.048 3029 K CA 1.484 57.696 56.287 -0.125 0.000 0.928 3029 K CB -0.285 32.185 32.500 -0.050 0.000 0.713 3029 K HN 0.367 nan 8.250 nan 0.000 0.442 3030 R N 0.815 121.187 120.500 -0.214 0.000 2.081 3030 R HA -0.089 4.252 4.340 0.001 0.000 0.235 3030 R C 2.413 178.382 176.300 -0.551 0.000 1.131 3030 R CA 1.164 57.086 56.100 -0.297 0.000 0.960 3030 R CB -0.425 29.772 30.300 -0.172 0.000 0.856 3030 R HN 0.173 nan 8.270 nan 0.000 0.436 3031 L N 0.669 121.486 121.223 -0.677 0.000 2.017 3031 L HA -0.245 4.095 4.340 0.001 0.000 0.208 3031 L C 2.565 179.187 176.870 -0.415 0.000 1.073 3031 L CA 1.541 55.937 54.840 -0.740 0.000 0.745 3031 L CB -0.400 41.184 42.059 -0.792 0.000 0.894 3031 L HN 0.260 nan 8.230 nan 0.000 0.432 3032 Q N -0.339 119.275 119.800 -0.311 0.000 2.124 3032 Q HA -0.243 4.097 4.340 0.001 0.000 0.202 3032 Q C 2.119 178.045 176.000 -0.122 0.000 0.977 3032 Q CA 1.603 57.334 55.803 -0.121 0.000 0.850 3032 Q CB -0.091 28.604 28.738 -0.071 0.000 0.901 3032 Q HN 0.540 nan 8.270 nan 0.000 0.429 3033 E N 0.122 120.218 120.200 -0.173 0.000 2.077 3033 E HA -0.143 4.207 4.350 0.001 0.000 0.193 3033 E C 1.777 178.285 176.600 -0.154 0.000 0.989 3033 E CA 0.658 56.972 56.400 -0.142 0.000 0.800 3033 E CB 0.140 29.754 29.700 -0.143 0.000 0.746 3033 E HN 0.194 nan 8.360 nan 0.000 0.452 3034 R N 0.466 120.821 120.500 -0.241 0.000 2.313 3034 R HA 0.037 4.378 4.340 0.001 0.000 0.199 3034 R C 0.287 176.504 176.300 -0.138 0.000 0.958 3034 R CA 0.229 56.198 56.100 -0.217 0.000 1.047 3034 R CB -0.264 29.819 30.300 -0.362 0.000 0.955 3034 R HN 0.284 nan 8.270 nan 0.000 0.481 3035 Q N 0.448 120.181 119.800 -0.112 0.000 2.475 3035 Q HA -0.159 4.181 4.340 0.001 0.000 0.280 3035 Q C -0.866 175.128 176.000 -0.009 0.000 1.234 3035 Q CA 0.415 56.195 55.803 -0.038 0.000 0.873 3035 Q CB -1.840 26.883 28.738 -0.024 0.000 1.256 3035 Q HN 0.331 nan 8.270 nan 0.000 0.475 3036 L N 2.101 123.303 121.223 -0.035 0.000 2.290 3036 L HA 0.384 4.725 4.340 0.001 0.000 0.284 3036 L C -1.403 175.578 176.870 0.185 0.000 1.078 3036 L CA -1.886 52.985 54.840 0.053 0.000 0.815 3036 L CB 0.375 42.424 42.059 -0.016 0.000 1.162 3036 L HN -0.056 nan 8.230 nan 0.000 0.435 3037 P HA 0.085 nan 4.420 nan 0.000 0.269 3037 P C -1.554 175.932 177.300 0.312 0.000 1.209 3037 P CA 0.180 63.379 63.100 0.166 0.000 0.776 3037 P CB 0.593 32.341 31.700 0.079 0.000 0.876 3038 Y N -0.097 120.256 120.300 0.089 0.000 2.604 3038 Y HA 0.717 5.267 4.550 0.001 0.000 0.331 3038 Y C -1.863 174.088 175.900 0.085 0.000 1.158 3038 Y CA -1.553 56.624 58.100 0.128 0.000 1.056 3038 Y CB 0.612 39.152 38.460 0.133 0.000 1.330 3038 Y HN 0.094 nan 8.280 nan 0.000 0.457 3039 I N 3.535 124.168 120.570 0.105 0.000 2.533 3039 I HA 0.385 4.555 4.170 0.001 0.000 0.290 3039 I C -1.361 174.857 176.117 0.168 0.000 1.056 3039 I CA -0.793 60.524 61.300 0.028 0.000 1.057 3039 I CB 2.069 40.064 38.000 -0.008 0.000 1.240 3039 I HN 0.512 nan 8.210 nan 0.000 0.423 3040 L N 6.916 128.242 121.223 0.173 0.000 2.265 3040 L HA 0.502 4.842 4.340 0.001 0.000 0.288 3040 L C -0.266 176.691 176.870 0.144 0.000 1.058 3040 L CA -0.505 54.444 54.840 0.181 0.000 0.809 3040 L CB 0.861 43.035 42.059 0.191 0.000 1.179 3040 L HN 0.198 nan 8.230 nan 0.000 0.429 3041 V N 2.615 122.598 119.914 0.114 0.000 2.384 3041 V HA 0.612 4.732 4.120 0.001 0.000 0.287 3041 V C 0.306 176.422 176.094 0.037 0.000 1.020 3041 V CA -0.445 61.912 62.300 0.094 0.000 0.850 3041 V CB 1.795 33.674 31.823 0.093 0.000 0.987 3041 V HN 0.877 nan 8.190 nan 0.000 0.436 3042 T N 2.462 117.022 114.554 0.011 0.000 2.900 3042 T HA 0.352 4.702 4.350 0.001 0.000 0.295 3042 T C 0.554 175.221 174.700 -0.056 0.000 1.044 3042 T CA -0.518 61.571 62.100 -0.018 0.000 0.995 3042 T CB 1.494 70.366 68.868 0.007 0.000 1.072 3042 T HN 0.704 nan 8.240 nan 0.000 0.473 3043 N N 2.419 121.080 118.700 -0.065 0.000 2.398 3043 N HA 0.045 4.785 4.740 0.001 0.000 0.188 3043 N C 0.236 175.702 175.510 -0.074 0.000 1.122 3043 N CA -0.204 52.796 53.050 -0.082 0.000 0.866 3043 N CB 0.085 38.520 38.487 -0.088 0.000 0.970 3043 N HN 0.558 nan 8.380 nan 0.000 0.462 3044 N N 0.678 119.346 118.700 -0.053 0.000 2.454 3044 N HA -0.051 4.690 4.740 0.001 0.000 0.260 3044 N C 0.834 176.315 175.510 -0.048 0.000 1.218 3044 N CA 0.452 53.479 53.050 -0.037 0.000 0.904 3044 N CB 0.735 39.218 38.487 -0.006 0.000 1.065 3044 N HN 0.007 nan 8.380 nan 0.000 0.462 3045 T N -1.397 113.129 114.554 -0.047 0.000 3.085 3045 T HA 0.047 4.397 4.350 0.001 0.000 0.264 3045 T C 1.407 176.084 174.700 -0.038 0.000 1.019 3045 T CA 0.368 62.435 62.100 -0.054 0.000 0.910 3045 T CB -0.287 68.543 68.868 -0.064 0.000 1.059 3045 T HN 0.582 nan 8.240 nan 0.000 0.542 3046 T N -0.150 114.391 114.554 -0.023 0.000 2.983 3046 T HA 0.274 4.624 4.350 0.001 0.000 0.250 3046 T C 0.992 175.688 174.700 -0.007 0.000 1.037 3046 T CA -0.213 61.879 62.100 -0.014 0.000 1.142 3046 T CB -0.137 68.728 68.868 -0.004 0.000 0.876 3046 T HN 0.258 nan 8.240 nan 0.000 0.455 3047 R N 2.791 123.292 120.500 0.000 0.000 2.297 3047 R HA 0.466 4.807 4.340 0.001 0.000 0.308 3047 R C 0.414 176.714 176.300 0.001 0.000 1.029 3047 R CA -0.291 55.813 56.100 0.007 0.000 0.929 3047 R CB 1.227 31.541 30.300 0.023 0.000 1.046 3047 R HN 0.544 nan 8.270 nan 0.000 0.461 3048 T N 0.084 114.639 114.554 0.001 0.000 2.766 3048 T HA 0.131 4.481 4.350 0.001 0.000 0.295 3048 T C -1.755 172.951 174.700 0.009 0.000 1.024 3048 T CA -1.526 60.573 62.100 -0.001 0.000 1.018 3048 T CB 0.914 69.783 68.868 0.001 0.000 1.002 3048 T HN 0.246 nan 8.240 nan 0.000 0.532 3049 P HA -0.070 nan 4.420 nan 0.000 0.215 3049 P C 1.311 178.627 177.300 0.027 0.000 1.153 3049 P CA 1.055 64.170 63.100 0.025 0.000 0.853 3049 P CB 0.024 31.742 31.700 0.030 0.000 0.788 3050 E N -0.917 119.294 120.200 0.020 0.000 2.058 3050 E HA -0.166 4.184 4.350 0.001 0.000 0.194 3050 E C 2.045 178.654 176.600 0.016 0.000 0.997 3050 E CA 1.451 57.861 56.400 0.017 0.000 0.801 3050 E CB -1.057 28.650 29.700 0.011 0.000 0.746 3050 E HN 0.250 nan 8.360 nan 0.000 0.450 3051 M N -0.065 119.543 119.600 0.014 0.000 2.080 3051 M HA -0.182 4.299 4.480 0.001 0.000 0.260 3051 M C 2.212 178.525 176.300 0.021 0.000 1.068 3051 M CA 1.184 56.491 55.300 0.012 0.000 1.109 3051 M CB -0.385 32.221 32.600 0.011 0.000 1.342 3051 M HN 0.010 nan 8.290 nan 0.000 0.405 3052 V N 0.282 120.215 119.914 0.032 0.000 2.295 3052 V HA -0.310 3.811 4.120 0.001 0.000 0.246 3052 V C 2.389 178.514 176.094 0.052 0.000 1.049 3052 V CA 2.225 64.555 62.300 0.051 0.000 1.024 3052 V CB -0.958 30.902 31.823 0.061 0.000 0.648 3052 V HN 0.570 nan 8.190 nan 0.000 0.447 3053 Q N 0.030 119.857 119.800 0.046 0.000 2.061 3053 Q HA -0.308 4.032 4.340 0.001 0.000 0.204 3053 Q C 2.343 178.362 176.000 0.032 0.000 0.984 3053 Q CA 2.411 58.242 55.803 0.047 0.000 0.846 3053 Q CB -0.177 28.584 28.738 0.039 0.000 0.902 3053 Q HN 0.776 nan 8.270 nan 0.000 0.421 3054 E N 0.030 120.239 120.200 0.015 0.000 2.077 3054 E HA -0.231 4.120 4.350 0.001 0.000 0.193 3054 E C 2.120 178.705 176.600 -0.025 0.000 0.989 3054 E CA 1.306 57.703 56.400 -0.005 0.000 0.800 3054 E CB -0.208 29.486 29.700 -0.010 0.000 0.746 3054 E HN 0.477 nan 8.360 nan 0.000 0.452 3055 M N 0.508 120.096 119.600 -0.020 0.000 2.080 3055 M HA -0.209 4.271 4.480 0.001 0.000 0.260 3055 M C 2.033 178.300 176.300 -0.054 0.000 1.068 3055 M CA 1.484 56.751 55.300 -0.056 0.000 1.109 3055 M CB -0.101 32.495 32.600 -0.008 0.000 1.342 3055 M HN 0.219 nan 8.290 nan 0.000 0.405 3056 L N 0.165 121.419 121.223 0.053 0.000 2.012 3056 L HA -0.188 4.152 4.340 0.001 0.000 0.210 3056 L C 2.795 179.711 176.870 0.077 0.000 1.073 3056 L CA 1.431 56.359 54.840 0.146 0.000 0.748 3056 L CB -1.014 41.120 42.059 0.126 0.000 0.891 3056 L HN 0.439 nan 8.230 nan 0.000 0.431 3057 A N -0.767 122.066 122.820 0.022 0.000 1.872 3057 A HA -0.149 4.171 4.320 0.001 0.000 0.214 3057 A C 2.348 179.900 177.584 -0.052 0.000 1.187 3057 A CA 2.085 54.122 52.037 0.002 0.000 0.614 3057 A CB -0.788 18.215 19.000 0.004 0.000 0.826 3057 A HN 0.350 nan 8.150 nan 0.000 0.442 3058 T N -0.077 114.420 114.554 -0.094 0.000 2.812 3058 T HA -0.043 4.307 4.350 0.001 0.000 0.264 3058 T C 1.950 176.505 174.700 -0.242 0.000 1.042 3058 T CA 1.802 63.820 62.100 -0.137 0.000 1.140 3058 T CB -0.131 68.662 68.868 -0.125 0.000 0.870 3058 T HN 0.458 nan 8.240 nan 0.000 0.445 3059 S N 0.031 115.467 115.700 -0.440 0.000 2.511 3059 S HA 0.279 4.749 4.470 0.001 0.000 0.214 3059 S C 0.388 174.348 174.600 -1.067 0.000 0.997 3059 S CA -0.100 57.598 58.200 -0.837 0.000 0.908 3059 S CB 0.161 62.607 63.200 -1.256 0.000 0.803 3059 S HN 0.427 nan 8.310 nan 0.000 0.504 3060 F N 1.239 121.139 119.950 -0.083 0.000 2.859 3060 F HA 0.428 4.955 4.527 0.001 0.000 0.324 3060 F C 0.486 176.272 175.800 -0.024 0.000 1.158 3060 F CA -1.071 56.894 58.000 -0.059 0.000 1.147 3060 F CB -0.599 38.339 39.000 -0.103 0.000 1.137 3060 F HN -0.080 nan 8.300 nan 0.000 0.516 3061 N N 1.425 120.169 118.700 0.073 0.000 2.693 3061 N HA -0.218 4.522 4.740 0.001 0.000 0.249 3061 N C -0.373 175.182 175.510 0.075 0.000 1.119 3061 N CA 0.817 53.902 53.050 0.058 0.000 0.717 3061 N CB -1.097 37.425 38.487 0.058 0.000 1.071 3061 N HN 0.358 nan 8.380 nan 0.000 0.555 3062 I N 1.045 121.675 120.570 0.100 0.000 2.330 3062 I HA 0.177 4.348 4.170 0.001 0.000 0.289 3062 I C 0.152 176.316 176.117 0.079 0.000 1.001 3062 I CA -0.380 60.977 61.300 0.095 0.000 1.193 3062 I CB 1.211 39.286 38.000 0.125 0.000 1.345 3062 I HN -0.242 nan 8.210 nan 0.000 0.461 3063 K N 4.811 125.250 120.400 0.066 0.000 2.367 3063 K HA 0.498 4.819 4.320 0.001 0.000 0.263 3063 K C -0.543 176.109 176.600 0.087 0.000 1.000 3063 K CA -0.436 55.888 56.287 0.062 0.000 0.891 3063 K CB 2.158 34.683 32.500 0.041 0.000 1.117 3063 K HN 0.455 nan 8.250 nan 0.000 0.443 3064 T N 2.822 117.438 114.554 0.104 0.000 2.900 3064 T HA 0.437 4.787 4.350 0.001 0.000 0.295 3064 T C -2.693 172.057 174.700 0.084 0.000 1.044 3064 T CA -2.255 59.931 62.100 0.143 0.000 0.995 3064 T CB 1.362 70.370 68.868 0.232 0.000 1.072 3064 T HN 0.156 nan 8.240 nan 0.000 0.473 3065 P HA 0.099 nan 4.420 nan 0.000 0.268 3065 P C 0.757 178.064 177.300 0.012 0.000 1.208 3065 P CA -0.362 62.748 63.100 0.017 0.000 0.777 3065 P CB 0.449 32.141 31.700 -0.014 0.000 0.875 3066 L N 2.922 124.153 121.223 0.013 0.000 2.131 3066 L HA -0.192 4.148 4.340 0.001 0.000 0.210 3066 L C 1.511 178.390 176.870 0.015 0.000 1.092 3066 L CA 2.006 56.858 54.840 0.019 0.000 0.759 3066 L CB -0.969 41.101 42.059 0.018 0.000 0.903 3066 L HN 0.306 nan 8.230 nan 0.000 0.435 3067 E N -1.260 118.935 120.200 -0.009 0.000 2.472 3067 E HA -0.108 4.243 4.350 0.001 0.000 0.200 3067 E C 1.851 178.419 176.600 -0.052 0.000 1.046 3067 E CA 1.067 57.454 56.400 -0.022 0.000 0.871 3067 E CB -0.558 29.117 29.700 -0.042 0.000 0.806 3067 E HN 0.660 nan 8.360 nan 0.000 0.533 3068 T N -1.913 112.596 114.554 -0.075 0.000 3.129 3068 T HA 0.170 4.521 4.350 0.001 0.000 0.251 3068 T C 0.701 175.399 174.700 -0.004 0.000 1.117 3068 T CA -0.105 61.910 62.100 -0.142 0.000 1.034 3068 T CB -0.126 68.560 68.868 -0.303 0.000 0.968 3068 T HN -0.004 nan 8.240 nan 0.000 0.526 3069 I N 1.994 122.597 120.570 0.056 0.000 2.306 3069 I HA 0.349 4.520 4.170 0.001 0.000 0.288 3069 I C -1.097 175.124 176.117 0.173 0.000 1.036 3069 I CA -1.115 60.249 61.300 0.106 0.000 1.221 3069 I CB 0.643 38.694 38.000 0.083 0.000 1.385 3069 I HN 0.096 nan 8.210 nan 0.000 0.472 3070 Y N 6.714 127.018 120.300 0.007 0.000 2.345 3070 Y HA 0.393 4.943 4.550 0.001 0.000 0.331 3070 Y C 0.446 176.346 175.900 -0.000 0.000 0.959 3070 Y CA -0.964 57.136 58.100 -0.001 0.000 1.204 3070 Y CB 1.314 39.770 38.460 -0.007 0.000 1.135 3070 Y HN 0.632 nan 8.280 nan 0.000 0.477 3071 T N 0.710 115.071 114.554 -0.321 0.000 2.936 3071 T HA 0.645 4.995 4.350 0.001 0.000 0.282 3071 T C 1.152 175.607 174.700 -0.408 0.000 1.003 3071 T CA -0.235 61.705 62.100 -0.267 0.000 1.005 3071 T CB 1.611 70.388 68.868 -0.151 0.000 1.097 3071 T HN 0.620 nan 8.240 nan 0.000 0.532 3072 A N 0.658 123.328 122.820 -0.250 0.000 1.969 3072 A HA 0.047 4.368 4.320 0.001 0.000 0.218 3072 A C 2.346 179.795 177.584 -0.225 0.000 1.169 3072 A CA 1.950 53.848 52.037 -0.231 0.000 0.635 3072 A CB -1.686 17.221 19.000 -0.156 0.000 0.810 3072 A HN 0.917 nan 8.150 nan 0.000 0.445 3073 T N 0.606 115.044 114.554 -0.192 0.000 2.708 3073 T HA -0.091 4.259 4.350 0.001 0.000 0.266 3073 T C 1.810 176.408 174.700 -0.171 0.000 1.037 3073 T CA 1.461 63.470 62.100 -0.152 0.000 1.146 3073 T CB -0.372 68.431 68.868 -0.108 0.000 0.865 3073 T HN 0.392 nan 8.240 nan 0.000 0.435 3074 L N 0.769 121.846 121.223 -0.243 0.000 2.046 3074 L HA -0.093 4.247 4.340 0.001 0.000 0.208 3074 L C 3.111 179.850 176.870 -0.219 0.000 1.077 3074 L CA 1.313 56.021 54.840 -0.221 0.000 0.747 3074 L CB -0.801 41.085 42.059 -0.288 0.000 0.896 3074 L HN 0.253 nan 8.230 nan 0.000 0.432 3075 A N -0.297 122.261 122.820 -0.437 0.000 1.902 3075 A HA -0.204 4.116 4.320 0.001 0.000 0.217 3075 A C 2.365 179.920 177.584 -0.048 0.000 1.181 3075 A CA 2.381 54.311 52.037 -0.178 0.000 0.623 3075 A CB -0.911 17.952 19.000 -0.229 0.000 0.818 3075 A HN 0.389 nan 8.150 nan 0.000 0.443 3076 T N 0.275 114.762 114.554 -0.111 0.000 2.746 3076 T HA -0.090 4.260 4.350 0.001 0.000 0.267 3076 T C 1.790 176.453 174.700 -0.061 0.000 1.039 3076 T CA 1.546 63.596 62.100 -0.084 0.000 1.142 3076 T CB -0.391 68.398 68.868 -0.131 0.000 0.866 3076 T HN 0.432 nan 8.240 nan 0.000 0.444 3077 I N 1.136 121.663 120.570 -0.073 0.000 2.252 3077 I HA -0.157 4.014 4.170 0.001 0.000 0.245 3077 I C 2.310 178.434 176.117 0.012 0.000 1.102 3077 I CA 1.085 62.352 61.300 -0.055 0.000 1.385 3077 I CB -0.349 37.648 38.000 -0.004 0.000 1.064 3077 I HN 0.139 nan 8.210 nan 0.000 0.414 3078 D N 0.218 120.654 120.400 0.060 0.000 2.117 3078 D HA -0.245 4.395 4.640 0.001 0.000 0.197 3078 D C 1.930 178.285 176.300 0.091 0.000 0.987 3078 D CA 1.451 55.510 54.000 0.098 0.000 0.829 3078 D CB -0.393 40.504 40.800 0.161 0.000 0.961 3078 D HN 0.345 nan 8.370 nan 0.000 0.460 3079 Y N 1.058 121.343 120.300 -0.026 0.000 2.145 3079 Y HA -0.196 4.354 4.550 0.001 0.000 0.286 3079 Y C 2.440 178.300 175.900 -0.068 0.000 1.145 3079 Y CA 1.528 59.607 58.100 -0.035 0.000 1.148 3079 Y CB -0.314 38.112 38.460 -0.056 0.000 0.981 3079 Y HN -0.126 nan 8.280 nan 0.000 0.507 3080 M N 0.034 119.542 119.600 -0.153 0.000 2.108 3080 M HA -0.284 4.197 4.480 0.001 0.000 0.261 3080 M C 1.803 178.017 176.300 -0.143 0.000 1.066 3080 M CA 1.851 56.867 55.300 -0.473 0.000 1.107 3080 M CB -0.450 31.600 32.600 -0.916 0.000 1.356 3080 M HN 0.274 nan 8.290 nan 0.000 0.406 3081 N N 0.531 119.237 118.700 0.009 0.000 2.166 3081 N HA -0.140 4.601 4.740 0.001 0.000 0.186 3081 N C 1.204 176.733 175.510 0.032 0.000 1.019 3081 N CA 1.304 54.414 53.050 0.101 0.000 0.856 3081 N CB -0.513 38.029 38.487 0.092 0.000 0.993 3081 N HN 0.338 nan 8.380 nan 0.000 0.426 3082 D N 0.578 120.954 120.400 -0.040 0.000 2.097 3082 D HA -0.061 4.579 4.640 0.001 0.000 0.197 3082 D C 1.910 178.152 176.300 -0.095 0.000 0.984 3082 D CA 0.757 54.717 54.000 -0.067 0.000 0.826 3082 D CB -0.124 40.622 40.800 -0.090 0.000 0.973 3082 D HN 0.155 nan 8.370 nan 0.000 0.460 3083 M N 0.764 120.250 119.600 -0.190 0.000 2.374 3083 M HA -0.085 4.396 4.480 0.001 0.000 0.264 3083 M C 0.266 176.582 176.300 0.027 0.000 1.067 3083 M CA 0.587 55.811 55.300 -0.127 0.000 1.103 3083 M CB -0.931 31.551 32.600 -0.197 0.000 1.402 3083 M HN 0.172 nan 8.290 nan 0.000 0.444 3084 K N 1.166 121.629 120.400 0.105 0.000 4.040 3084 K HA -0.215 4.105 4.320 0.001 0.000 0.279 3084 K C -0.786 175.888 176.600 0.123 0.000 0.890 3084 K CA 0.760 57.130 56.287 0.139 0.000 0.782 3084 K CB -1.330 31.208 32.500 0.063 0.000 1.613 3084 K HN 0.209 nan 8.250 nan 0.000 0.440 3085 R N 0.624 121.236 120.500 0.186 0.000 3.006 3085 R HA 0.570 4.911 4.340 0.001 0.000 0.235 3085 R C 0.580 176.937 176.300 0.094 0.000 1.362 3085 R CA 0.021 56.116 56.100 -0.007 0.000 1.067 3085 R CB 0.594 30.709 30.300 -0.307 0.000 1.396 3085 R HN 0.503 nan 8.270 nan 0.000 0.504 3086 G N 0.747 109.552 108.800 0.009 0.000 2.752 3086 G HA2 -0.175 3.786 3.960 0.001 0.000 0.226 3086 G HA3 -0.175 3.786 3.960 0.001 0.000 0.226 3086 G C -0.589 174.473 174.900 0.269 0.000 1.185 3086 G CA 0.057 45.210 45.100 0.088 0.000 0.854 3086 G HN 0.374 nan 8.290 nan 0.000 0.540 3087 K N 0.710 121.213 120.400 0.171 0.000 3.041 3087 K HA 0.270 4.590 4.320 0.001 0.000 0.243 3087 K C 0.696 177.442 176.600 0.242 0.000 1.167 3087 K CA 0.157 56.512 56.287 0.113 0.000 1.235 3087 K CB 0.233 32.653 32.500 -0.134 0.000 1.205 3087 K HN 0.668 nan 8.250 nan 0.000 0.448 3088 T N -2.962 111.831 114.554 0.398 0.000 2.906 3088 T HA 0.866 5.217 4.350 0.001 0.000 0.295 3088 T C -0.764 174.159 174.700 0.372 0.000 1.061 3088 T CA -1.135 61.153 62.100 0.314 0.000 1.000 3088 T CB 2.259 71.231 68.868 0.173 0.000 1.103 3088 T HN 0.027 nan 8.240 nan 0.000 0.486 3089 A N 1.258 124.244 122.820 0.277 0.000 2.594 3089 A HA 0.653 4.973 4.320 0.001 0.000 0.296 3089 A C -2.112 175.586 177.584 0.190 0.000 1.061 3089 A CA -0.931 51.240 52.037 0.223 0.000 0.689 3089 A CB 1.290 20.358 19.000 0.114 0.000 1.280 3089 A HN 1.060 nan 8.150 nan 0.000 0.406 3090 Y N 1.830 122.168 120.300 0.064 0.000 2.331 3090 Y HA 0.617 5.168 4.550 0.001 0.000 0.338 3090 Y C -0.928 174.985 175.900 0.022 0.000 0.992 3090 Y CA -0.802 57.317 58.100 0.031 0.000 1.121 3090 Y CB 1.558 40.021 38.460 0.006 0.000 1.184 3090 Y HN 0.549 nan 8.280 nan 0.000 0.469 3091 V N 8.049 127.560 119.914 -0.673 0.000 2.495 3091 V HA 0.439 4.560 4.120 0.001 0.000 0.298 3091 V C -0.292 175.459 176.094 -0.572 0.000 1.031 3091 V CA -0.946 61.075 62.300 -0.464 0.000 0.871 3091 V CB 1.776 33.454 31.823 -0.242 0.000 0.988 3091 V HN 0.678 nan 8.190 nan 0.000 0.432 3092 I N 3.842 124.221 120.570 -0.317 0.000 2.362 3092 I HA 0.820 4.991 4.170 0.001 0.000 0.289 3092 I C 0.601 176.651 176.117 -0.111 0.000 0.994 3092 I CA 0.172 61.356 61.300 -0.193 0.000 1.158 3092 I CB 1.554 39.510 38.000 -0.074 0.000 1.315 3092 I HN 0.883 nan 8.210 nan 0.000 0.451 3093 G N 5.197 113.941 108.800 -0.092 0.000 2.317 3093 G HA2 0.138 4.098 3.960 0.001 0.000 0.293 3093 G HA3 0.138 4.098 3.960 0.001 0.000 0.293 3093 G C -1.407 173.463 174.900 -0.050 0.000 1.287 3093 G CA -0.743 44.320 45.100 -0.062 0.000 0.850 3093 G HN 0.330 nan 8.290 nan 0.000 0.515 3094 E N -0.188 119.989 120.200 -0.038 0.000 2.392 3094 E HA 0.276 4.626 4.350 0.001 0.000 0.256 3094 E C 1.530 178.111 176.600 -0.031 0.000 1.145 3094 E CA 0.274 56.657 56.400 -0.027 0.000 0.929 3094 E CB 1.151 30.839 29.700 -0.020 0.000 0.998 3094 E HN 0.563 nan 8.360 nan 0.000 0.442 3095 T N 1.077 115.617 114.554 -0.022 0.000 2.737 3095 T HA -0.169 4.182 4.350 0.001 0.000 0.269 3095 T C 1.695 176.382 174.700 -0.021 0.000 1.040 3095 T CA 2.115 64.203 62.100 -0.020 0.000 1.142 3095 T CB -0.346 68.516 68.868 -0.011 0.000 0.861 3095 T HN 0.578 nan 8.240 nan 0.000 0.456 3096 G N 1.294 110.083 108.800 -0.019 0.000 2.446 3096 G HA2 -0.169 3.792 3.960 0.001 0.000 0.217 3096 G HA3 -0.169 3.792 3.960 0.001 0.000 0.217 3096 G C 1.504 176.387 174.900 -0.027 0.000 1.168 3096 G CA 1.183 46.272 45.100 -0.019 0.000 0.771 3096 G HN 0.541 nan 8.290 nan 0.000 0.551 3097 L N 0.584 121.784 121.223 -0.038 0.000 2.017 3097 L HA 0.085 4.426 4.340 0.001 0.000 0.208 3097 L C 2.684 179.523 176.870 -0.052 0.000 1.073 3097 L CA 2.049 56.859 54.840 -0.050 0.000 0.745 3097 L CB -0.550 41.472 42.059 -0.062 0.000 0.894 3097 L HN 0.145 nan 8.230 nan 0.000 0.432 3098 K N -0.453 119.914 120.400 -0.055 0.000 2.097 3098 K HA -0.229 4.092 4.320 0.001 0.000 0.206 3098 K C 2.195 178.779 176.600 -0.027 0.000 1.049 3098 K CA 1.675 57.928 56.287 -0.057 0.000 0.933 3098 K CB -0.170 32.290 32.500 -0.067 0.000 0.717 3098 K HN 0.346 nan 8.250 nan 0.000 0.442 3099 K N 0.931 121.320 120.400 -0.019 0.000 2.001 3099 K HA -0.105 4.215 4.320 0.001 0.000 0.208 3099 K C 2.170 178.772 176.600 0.003 0.000 1.048 3099 K CA 1.203 57.488 56.287 -0.005 0.000 0.932 3099 K CB -0.129 32.368 32.500 -0.005 0.000 0.715 3099 K HN 0.087 nan 8.250 nan 0.000 0.437 3100 A N 0.811 123.628 122.820 -0.005 0.000 1.917 3100 A HA -0.137 4.183 4.320 0.001 0.000 0.219 3100 A C 2.237 179.834 177.584 0.022 0.000 1.182 3100 A CA 1.840 53.878 52.037 0.002 0.000 0.633 3100 A CB -0.700 18.291 19.000 -0.015 0.000 0.819 3100 A HN 0.208 nan 8.150 nan 0.000 0.448 3101 V N -0.439 119.484 119.914 0.015 0.000 2.358 3101 V HA -0.192 3.928 4.120 0.001 0.000 0.246 3101 V C 3.032 179.209 176.094 0.138 0.000 1.047 3101 V CA 1.816 64.149 62.300 0.055 0.000 1.035 3101 V CB -1.141 30.670 31.823 -0.020 0.000 0.658 3101 V HN 0.625 nan 8.190 nan 0.000 0.452 3102 A N -0.293 122.575 122.820 0.080 0.000 1.902 3102 A HA -0.231 4.090 4.320 0.001 0.000 0.217 3102 A C 2.137 179.754 177.584 0.056 0.000 1.181 3102 A CA 1.792 53.876 52.037 0.078 0.000 0.623 3102 A CB -0.463 18.564 19.000 0.044 0.000 0.818 3102 A HN 0.610 nan 8.150 nan 0.000 0.443 3103 E N -0.358 119.867 120.200 0.040 0.000 2.268 3103 E HA 0.002 4.352 4.350 0.001 0.000 0.195 3103 E C 1.798 178.412 176.600 0.023 0.000 0.995 3103 E CA 0.585 56.998 56.400 0.023 0.000 0.836 3103 E CB -0.180 29.529 29.700 0.016 0.000 0.763 3103 E HN 0.609 nan 8.360 nan 0.000 0.491 3104 A N 0.183 123.039 122.820 0.060 0.000 2.238 3104 A HA 0.244 4.564 4.320 0.001 0.000 0.208 3104 A C 1.611 179.172 177.584 -0.039 0.000 1.177 3104 A CA 0.816 52.893 52.037 0.067 0.000 0.804 3104 A CB -0.166 18.934 19.000 0.167 0.000 0.823 3104 A HN 0.324 nan 8.150 nan 0.000 0.482 3105 G N -2.552 106.199 108.800 -0.082 0.000 2.184 3105 G HA2 -0.222 3.739 3.960 0.001 0.000 0.206 3105 G HA3 -0.222 3.739 3.960 0.001 0.000 0.206 3105 G C -0.204 174.469 174.900 -0.377 0.000 0.995 3105 G CA -0.008 44.942 45.100 -0.250 0.000 0.651 3105 G HN 0.416 nan 8.290 nan 0.000 0.511 3106 Y N 1.886 122.195 120.300 0.014 0.000 2.491 3106 Y HA 0.546 5.096 4.550 0.001 0.000 0.334 3106 Y C 1.022 176.943 175.900 0.035 0.000 0.969 3106 Y CA -0.875 57.247 58.100 0.037 0.000 1.241 3106 Y CB 0.618 39.097 38.460 0.031 0.000 1.105 3106 Y HN 0.432 nan 8.280 nan 0.000 0.503 3107 R N 1.089 121.668 120.500 0.130 0.000 2.594 3107 R HA 0.238 4.579 4.340 0.001 0.000 0.272 3107 R C -0.599 175.776 176.300 0.125 0.000 1.074 3107 R CA -0.725 55.434 56.100 0.099 0.000 1.105 3107 R CB 0.750 31.086 30.300 0.061 0.000 1.008 3107 R HN 0.344 nan 8.270 nan 0.000 0.472 3108 E N 1.864 122.126 120.200 0.103 0.000 2.366 3108 E HA -0.008 4.343 4.350 0.001 0.000 0.266 3108 E C -0.843 175.838 176.600 0.135 0.000 1.015 3108 E CA 0.351 56.825 56.400 0.123 0.000 0.906 3108 E CB 0.722 30.483 29.700 0.101 0.000 0.979 3108 E HN 0.541 nan 8.360 nan 0.000 0.443 3109 D N 1.403 121.906 120.400 0.172 0.000 2.476 3109 D HA 0.057 4.697 4.640 0.001 0.000 0.251 3109 D C 0.188 176.571 176.300 0.138 0.000 1.291 3109 D CA -0.512 53.564 54.000 0.126 0.000 0.939 3109 D CB 0.785 41.645 40.800 0.099 0.000 1.221 3109 D HN 0.189 nan 8.370 nan 0.000 0.567 3110 S N 2.415 118.153 115.700 0.064 0.000 2.593 3110 S HA 0.073 4.543 4.470 0.001 0.000 0.217 3110 S C 0.954 175.440 174.600 -0.189 0.000 0.966 3110 S CA -0.017 58.087 58.200 -0.160 0.000 0.914 3110 S CB 0.456 63.511 63.200 -0.241 0.000 0.776 3110 S HN 0.374 nan 8.310 nan 0.000 0.523 3111 E N 2.487 122.641 120.200 -0.078 0.000 2.134 3111 E HA 0.173 4.523 4.350 0.001 0.000 0.194 3111 E C -0.099 176.469 176.600 -0.053 0.000 0.937 3111 E CA 0.663 57.020 56.400 -0.072 0.000 0.874 3111 E CB -0.327 29.349 29.700 -0.041 0.000 0.853 3111 E HN 0.561 nan 8.360 nan 0.000 0.471 3112 N N 1.453 120.141 118.700 -0.021 0.000 2.642 3112 N HA 0.170 4.910 4.740 0.001 0.000 0.308 3112 N C -2.665 172.851 175.510 0.011 0.000 1.914 3112 N CA -0.755 52.287 53.050 -0.014 0.000 0.893 3112 N CB 1.325 39.804 38.487 -0.014 0.000 1.322 3112 N HN 0.041 nan 8.380 nan 0.000 0.490 3113 P HA 0.052 nan 4.420 nan 0.000 0.269 3113 P C 0.323 177.644 177.300 0.034 0.000 1.215 3113 P CA -0.092 63.057 63.100 0.081 0.000 0.780 3113 P CB 1.414 33.202 31.700 0.147 0.000 0.898 3114 A N 1.872 124.707 122.820 0.025 0.000 2.016 3114 A HA 0.027 4.348 4.320 0.001 0.000 0.217 3114 A C 0.343 177.743 177.584 -0.307 0.000 1.162 3114 A CA 1.136 53.075 52.037 -0.164 0.000 0.662 3114 A CB -0.638 18.235 19.000 -0.212 0.000 0.812 3114 A HN 0.600 nan 8.150 nan 0.000 0.450 3115 Y N -2.456 117.875 120.300 0.051 0.000 2.512 3115 Y HA 0.568 5.119 4.550 0.001 0.000 0.348 3115 Y C -0.509 175.425 175.900 0.056 0.000 0.990 3115 Y CA -1.044 57.075 58.100 0.033 0.000 1.033 3115 Y CB 2.147 40.573 38.460 -0.056 0.000 1.259 3115 Y HN -0.203 nan 8.280 nan 0.000 0.461 3116 V N 3.773 123.841 119.914 0.257 0.000 2.409 3116 V HA 0.447 4.568 4.120 0.001 0.000 0.290 3116 V C -0.945 175.276 176.094 0.211 0.000 1.017 3116 V CA -0.765 61.653 62.300 0.197 0.000 0.841 3116 V CB 1.443 33.331 31.823 0.108 0.000 1.003 3116 V HN 0.553 nan 8.190 nan 0.000 0.426 3117 V N 6.018 125.992 119.914 0.100 0.000 2.435 3117 V HA 0.613 4.734 4.120 0.001 0.000 0.290 3117 V C -0.296 175.813 176.094 0.026 0.000 1.030 3117 V CA -0.569 61.761 62.300 0.049 0.000 0.881 3117 V CB 1.991 33.778 31.823 -0.060 0.000 0.983 3117 V HN 0.555 nan 8.190 nan 0.000 0.445 3118 V N 3.703 123.656 119.914 0.066 0.000 2.577 3118 V HA 0.911 5.032 4.120 0.001 0.000 0.303 3118 V C 0.447 176.539 176.094 -0.003 0.000 1.042 3118 V CA -0.053 62.275 62.300 0.048 0.000 0.872 3118 V CB 1.581 33.500 31.823 0.160 0.000 0.998 3118 V HN 1.012 nan 8.190 nan 0.000 0.423 3119 G N 2.514 111.298 108.800 -0.027 0.000 3.105 3119 G HA2 0.646 4.607 3.960 0.001 0.000 0.277 3119 G HA3 0.646 4.607 3.960 0.001 0.000 0.277 3119 G C -1.088 173.797 174.900 -0.026 0.000 1.375 3119 G CA -1.002 44.074 45.100 -0.040 0.000 0.962 3119 G HN 0.657 nan 8.290 nan 0.000 0.541 3120 L N 0.654 121.861 121.223 -0.027 0.000 2.490 3120 L HA 0.285 4.625 4.340 0.001 0.000 0.274 3120 L C -0.895 175.966 176.870 -0.015 0.000 1.201 3120 L CA 0.119 54.950 54.840 -0.015 0.000 0.869 3120 L CB 0.948 42.997 42.059 -0.016 0.000 1.123 3120 L HN 0.477 nan 8.230 nan 0.000 0.484 3121 D N 2.322 122.719 120.400 -0.005 0.000 2.402 3121 D HA 0.105 4.745 4.640 0.001 0.000 0.252 3121 D C 0.781 177.085 176.300 0.006 0.000 1.294 3121 D CA -0.342 53.655 54.000 -0.005 0.000 0.948 3121 D CB 1.472 42.268 40.800 -0.008 0.000 1.202 3121 D HN 0.589 nan 8.370 nan 0.000 0.561 3122 T N 0.524 115.081 114.554 0.006 0.000 3.163 3122 T HA 0.016 4.367 4.350 0.001 0.000 0.260 3122 T C 0.634 175.344 174.700 0.016 0.000 1.156 3122 T CA 0.330 62.437 62.100 0.012 0.000 1.072 3122 T CB -0.362 68.512 68.868 0.010 0.000 0.937 3122 T HN 0.272 nan 8.240 nan 0.000 0.528 3123 N N 0.250 118.959 118.700 0.015 0.000 2.351 3123 N HA 0.362 5.102 4.740 0.001 0.000 0.254 3123 N C -0.374 175.153 175.510 0.028 0.000 1.241 3123 N CA -0.326 52.736 53.050 0.021 0.000 0.883 3123 N CB 0.394 38.892 38.487 0.017 0.000 1.202 3123 N HN 0.323 nan 8.380 nan 0.000 0.512 3124 L N 1.689 122.930 121.223 0.030 0.000 2.543 3124 L HA 0.058 4.399 4.340 0.001 0.000 0.285 3124 L C 0.369 177.272 176.870 0.054 0.000 1.236 3124 L CA 0.929 55.792 54.840 0.039 0.000 0.871 3124 L CB 0.323 42.405 42.059 0.040 0.000 1.121 3124 L HN 0.318 nan 8.230 nan 0.000 0.501 3125 T N 0.109 114.702 114.554 0.065 0.000 2.883 3125 T HA 0.173 4.523 4.350 0.001 0.000 0.296 3125 T C 0.513 175.279 174.700 0.111 0.000 1.117 3125 T CA -0.694 61.461 62.100 0.091 0.000 1.006 3125 T CB 0.991 69.910 68.868 0.086 0.000 1.191 3125 T HN 0.500 nan 8.240 nan 0.000 0.508 3126 Y N 1.069 121.383 120.300 0.023 0.000 2.165 3126 Y HA -0.093 4.458 4.550 0.001 0.000 0.286 3126 Y C 2.483 178.392 175.900 0.015 0.000 1.155 3126 Y CA 2.459 60.570 58.100 0.017 0.000 1.164 3126 Y CB -0.144 38.323 38.460 0.011 0.000 0.978 3126 Y HN 0.897 nan 8.280 nan 0.000 0.513 3127 E N 0.645 120.911 120.200 0.109 0.000 2.085 3127 E HA -0.224 4.127 4.350 0.001 0.000 0.194 3127 E C 1.977 178.554 176.600 -0.039 0.000 0.994 3127 E CA 2.021 58.436 56.400 0.026 0.000 0.801 3127 E CB -0.207 29.533 29.700 0.066 0.000 0.743 3127 E HN 0.480 nan 8.360 nan 0.000 0.453 3128 K N -0.590 119.823 120.400 0.022 0.000 2.097 3128 K HA -0.101 4.219 4.320 0.001 0.000 0.205 3128 K C 1.945 178.564 176.600 0.032 0.000 1.050 3128 K CA 1.023 57.369 56.287 0.098 0.000 0.938 3128 K CB -0.130 32.448 32.500 0.131 0.000 0.718 3128 K HN 0.115 nan 8.250 nan 0.000 0.442 3129 L N 0.996 122.171 121.223 -0.079 0.000 2.046 3129 L HA -0.146 4.194 4.340 0.001 0.000 0.208 3129 L C 2.206 178.928 176.870 -0.247 0.000 1.077 3129 L CA 1.843 56.592 54.840 -0.153 0.000 0.747 3129 L CB -1.145 40.785 42.059 -0.215 0.000 0.896 3129 L HN 0.176 nan 8.230 nan 0.000 0.432 3130 T N -0.503 113.836 114.554 -0.359 0.000 2.708 3130 T HA -0.152 4.198 4.350 0.001 0.000 0.266 3130 T C 1.907 176.463 174.700 -0.241 0.000 1.037 3130 T CA 0.876 62.777 62.100 -0.333 0.000 1.146 3130 T CB -0.203 68.471 68.868 -0.324 0.000 0.865 3130 T HN 0.023 nan 8.240 nan 0.000 0.435 3131 L N 1.284 122.357 121.223 -0.251 0.000 2.012 3131 L HA -0.000 4.340 4.340 0.001 0.000 0.210 3131 L C 2.805 179.442 176.870 -0.388 0.000 1.073 3131 L CA 1.783 56.388 54.840 -0.392 0.000 0.748 3131 L CB -1.540 40.132 42.059 -0.644 0.000 0.891 3131 L HN 0.260 nan 8.230 nan 0.000 0.431 3132 A N -1.756 120.931 122.820 -0.221 0.000 1.902 3132 A HA -0.207 4.114 4.320 0.001 0.000 0.217 3132 A C 2.323 179.786 177.584 -0.202 0.000 1.181 3132 A CA 2.253 54.230 52.037 -0.100 0.000 0.623 3132 A CB -0.994 18.010 19.000 0.006 0.000 0.818 3132 A HN 0.445 nan 8.150 nan 0.000 0.443 3133 T N 0.363 114.791 114.554 -0.210 0.000 2.684 3133 T HA -0.136 4.214 4.350 0.001 0.000 0.267 3133 T C 1.763 176.362 174.700 -0.168 0.000 1.036 3133 T CA 1.614 63.593 62.100 -0.202 0.000 1.148 3133 T CB -0.345 68.418 68.868 -0.176 0.000 0.863 3133 T HN 0.194 nan 8.240 nan 0.000 0.436 3134 L N 1.156 122.283 121.223 -0.160 0.000 2.017 3134 L HA 0.028 4.369 4.340 0.001 0.000 0.208 3134 L C 2.824 179.621 176.870 -0.121 0.000 1.073 3134 L CA 1.667 56.429 54.840 -0.129 0.000 0.745 3134 L CB -1.505 40.475 42.059 -0.131 0.000 0.894 3134 L HN 0.257 nan 8.230 nan 0.000 0.432 3135 A N -0.584 122.149 122.820 -0.145 0.000 1.902 3135 A HA -0.186 4.134 4.320 0.001 0.000 0.217 3135 A C 2.347 179.877 177.584 -0.090 0.000 1.181 3135 A CA 1.762 53.733 52.037 -0.110 0.000 0.623 3135 A CB -0.694 18.243 19.000 -0.105 0.000 0.818 3135 A HN 0.377 nan 8.150 nan 0.000 0.443 3136 I N -0.520 119.971 120.570 -0.131 0.000 2.179 3136 I HA -0.337 3.833 4.170 0.001 0.000 0.242 3136 I C 2.771 178.841 176.117 -0.079 0.000 1.088 3136 I CA 1.668 62.889 61.300 -0.130 0.000 1.357 3136 I CB -0.492 37.342 38.000 -0.277 0.000 1.051 3136 I HN 0.440 nan 8.210 nan 0.000 0.409 3137 Q N 0.672 120.421 119.800 -0.085 0.000 2.181 3137 Q HA -0.230 4.110 4.340 0.001 0.000 0.205 3137 Q C 1.883 177.859 176.000 -0.041 0.000 0.980 3137 Q CA 1.362 57.133 55.803 -0.054 0.000 0.862 3137 Q CB -0.127 28.577 28.738 -0.057 0.000 0.905 3137 Q HN 0.479 nan 8.270 nan 0.000 0.429 3138 K N -1.082 119.289 120.400 -0.048 0.000 2.525 3138 K HA 0.027 4.348 4.320 0.001 0.000 0.192 3138 K C 0.875 177.456 176.600 -0.032 0.000 1.029 3138 K CA 0.597 56.861 56.287 -0.038 0.000 1.029 3138 K CB 0.531 33.005 32.500 -0.043 0.000 0.814 3138 K HN 0.373 nan 8.250 nan 0.000 0.503 3139 G N 0.559 109.342 108.800 -0.029 0.000 2.205 3139 G HA2 -0.195 3.765 3.960 0.001 0.000 0.180 3139 G HA3 -0.195 3.765 3.960 0.001 0.000 0.180 3139 G C 0.168 175.052 174.900 -0.027 0.000 1.004 3139 G CA -0.209 44.877 45.100 -0.023 0.000 0.670 3139 G HN 0.393 nan 8.290 nan 0.000 0.496 3140 A N 0.246 123.051 122.820 -0.026 0.000 2.483 3140 A HA 0.561 4.882 4.320 0.001 0.000 0.238 3140 A C 0.893 178.492 177.584 0.025 0.000 1.070 3140 A CA 0.565 52.589 52.037 -0.021 0.000 0.770 3140 A CB 0.565 19.568 19.000 0.006 0.000 1.008 3140 A HN 1.190 nan 8.150 nan 0.000 0.497 3141 V N 3.429 123.348 119.914 0.008 0.000 2.439 3141 V HA 0.053 4.173 4.120 0.001 0.000 0.271 3141 V C 0.231 176.493 176.094 0.279 0.000 1.040 3141 V CA 0.300 62.672 62.300 0.120 0.000 1.002 3141 V CB -0.350 31.530 31.823 0.095 0.000 1.000 3141 V HN 0.682 nan 8.190 nan 0.000 0.477 3142 F N 6.968 126.959 119.950 0.068 0.000 2.438 3142 F HA 0.516 5.043 4.527 0.001 0.000 0.360 3142 F C 0.001 175.822 175.800 0.036 0.000 1.118 3142 F CA -0.633 57.395 58.000 0.046 0.000 1.164 3142 F CB 0.288 39.294 39.000 0.009 0.000 1.131 3142 F HN 0.349 nan 8.300 nan 0.000 0.527 3143 I N 5.448 126.170 120.570 0.252 0.000 2.474 3143 I HA 0.422 4.593 4.170 0.001 0.000 0.294 3143 I C 0.242 176.290 176.117 -0.116 0.000 1.005 3143 I CA -0.821 60.455 61.300 -0.041 0.000 1.113 3143 I CB 1.948 39.966 38.000 0.030 0.000 1.289 3143 I HN 0.593 nan 8.210 nan 0.000 0.436 3144 G N 1.849 110.485 108.800 -0.272 0.000 2.415 3144 G HA2 0.416 4.376 3.960 0.001 0.000 0.327 3144 G HA3 0.416 4.376 3.960 0.001 0.000 0.327 3144 G C 0.745 175.535 174.900 -0.183 0.000 1.182 3144 G CA -0.219 44.750 45.100 -0.218 0.000 0.924 3144 G HN 0.718 nan 8.290 nan 0.000 0.470 3145 T N -0.491 113.983 114.554 -0.133 0.000 2.812 3145 T HA -0.004 4.346 4.350 0.001 0.000 0.264 3145 T C 0.792 175.408 174.700 -0.141 0.000 1.042 3145 T CA 1.009 63.028 62.100 -0.135 0.000 1.140 3145 T CB -0.420 68.383 68.868 -0.109 0.000 0.870 3145 T HN 0.772 nan 8.240 nan 0.000 0.445 3146 N N 0.220 118.843 118.700 -0.128 0.000 2.484 3146 N HA 0.441 5.181 4.740 0.001 0.000 0.269 3146 N C -2.845 172.595 175.510 -0.116 0.000 1.237 3146 N CA -1.887 51.090 53.050 -0.121 0.000 0.838 3146 N CB 1.711 40.136 38.487 -0.102 0.000 1.593 3146 N HN -0.184 nan 8.380 nan 0.000 0.485 3147 P HA 0.084 nan 4.420 nan 0.000 0.251 3147 P C -0.902 176.375 177.300 -0.039 0.000 1.223 3147 P CA 0.281 63.328 63.100 -0.089 0.000 0.796 3147 P CB -0.112 31.535 31.700 -0.089 0.000 1.068 3148 D N 1.062 121.429 120.400 -0.055 0.000 2.662 3148 D HA -0.073 4.568 4.640 0.001 0.000 0.233 3148 D C 1.433 177.728 176.300 -0.009 0.000 1.129 3148 D CA 0.202 54.172 54.000 -0.050 0.000 0.851 3148 D CB 0.590 41.343 40.800 -0.079 0.000 1.152 3148 D HN -0.078 nan 8.370 nan 0.000 0.507 3149 L N 1.858 123.088 121.223 0.012 0.000 2.240 3149 L HA 0.065 4.406 4.340 0.001 0.000 0.211 3149 L C 0.645 177.527 176.870 0.020 0.000 1.106 3149 L CA 1.366 56.234 54.840 0.046 0.000 0.793 3149 L CB -0.957 41.134 42.059 0.053 0.000 0.927 3149 L HN 0.421 nan 8.230 nan 0.000 0.446 3150 N N -0.832 117.861 118.700 -0.012 0.000 2.405 3150 N HA 0.409 5.149 4.740 0.001 0.000 0.285 3150 N C -1.104 174.383 175.510 -0.038 0.000 1.262 3150 N CA -0.466 52.575 53.050 -0.015 0.000 0.773 3150 N CB 3.176 41.657 38.487 -0.010 0.000 1.490 3150 N HN -0.176 nan 8.380 nan 0.000 0.486 3151 I N 1.899 122.454 120.570 -0.025 0.000 2.468 3151 I HA 0.359 4.529 4.170 0.001 0.000 0.285 3151 I C -2.569 173.538 176.117 -0.017 0.000 1.039 3151 I CA -2.220 59.062 61.300 -0.030 0.000 1.074 3151 I CB 2.009 39.998 38.000 -0.017 0.000 1.228 3151 I HN 0.249 nan 8.210 nan 0.000 0.436 3152 P HA 0.274 nan 4.420 nan 0.000 0.282 3152 P C -0.845 176.461 177.300 0.010 0.000 1.274 3152 P CA -0.005 63.095 63.100 0.000 0.000 0.770 3152 P CB 0.840 32.541 31.700 0.001 0.000 0.867 3153 T N -0.841 113.724 114.554 0.018 0.000 2.888 3153 T HA 0.283 4.634 4.350 0.001 0.000 0.288 3153 T C 1.040 175.756 174.700 0.027 0.000 1.063 3153 T CA -0.521 61.592 62.100 0.022 0.000 1.010 3153 T CB 1.569 70.448 68.868 0.019 0.000 1.214 3153 T HN 0.147 nan 8.240 nan 0.000 0.533 3154 E N -0.145 120.072 120.200 0.029 0.000 2.265 3154 E HA -0.044 4.307 4.350 0.001 0.000 0.196 3154 E C 2.058 178.673 176.600 0.024 0.000 0.996 3154 E CA 1.029 57.446 56.400 0.029 0.000 0.832 3154 E CB -0.095 29.623 29.700 0.029 0.000 0.756 3154 E HN 0.612 nan 8.360 nan 0.000 0.491 3155 R N -1.110 119.404 120.500 0.022 0.000 2.240 3155 R HA 0.143 4.483 4.340 0.001 0.000 0.203 3155 R C 0.419 176.732 176.300 0.020 0.000 1.011 3155 R CA 0.815 56.927 56.100 0.020 0.000 1.007 3155 R CB 0.204 30.515 30.300 0.018 0.000 0.911 3155 R HN 0.215 nan 8.270 nan 0.000 0.468 3156 G N -0.273 108.541 108.800 0.023 0.000 2.315 3156 G HA2 -0.091 3.870 3.960 0.001 0.000 0.296 3156 G HA3 -0.091 3.870 3.960 0.001 0.000 0.296 3156 G C -1.386 173.529 174.900 0.025 0.000 1.289 3156 G CA -0.849 44.265 45.100 0.025 0.000 0.996 3156 G HN 0.038 nan 8.290 nan 0.000 0.487 3157 L N 1.152 122.392 121.223 0.028 0.000 2.401 3157 L HA 0.362 4.702 4.340 0.001 0.000 0.283 3157 L C 0.010 176.892 176.870 0.020 0.000 1.151 3157 L CA -0.463 54.393 54.840 0.026 0.000 0.942 3157 L CB -0.054 42.026 42.059 0.036 0.000 1.283 3157 L HN 0.337 nan 8.230 nan 0.000 0.442 3158 L N 5.725 126.957 121.223 0.015 0.000 2.431 3158 L HA 0.479 4.820 4.340 0.001 0.000 0.260 3158 L C -2.000 174.879 176.870 0.015 0.000 1.098 3158 L CA -1.868 52.982 54.840 0.016 0.000 0.800 3158 L CB 0.036 42.104 42.059 0.015 0.000 1.210 3158 L HN 0.250 nan 8.230 nan 0.000 0.465 3159 P HA 0.139 nan 4.420 nan 0.000 0.263 3159 P C -0.248 177.064 177.300 0.020 0.000 1.195 3159 P CA 0.115 63.230 63.100 0.026 0.000 0.762 3159 P CB 0.453 32.172 31.700 0.033 0.000 0.799 3160 G N 2.088 110.899 108.800 0.019 0.000 2.531 3160 G HA2 0.419 4.380 3.960 0.001 0.000 0.313 3160 G HA3 0.419 4.380 3.960 0.001 0.000 0.313 3160 G C 1.067 175.976 174.900 0.015 0.000 1.238 3160 G CA -0.128 44.976 45.100 0.006 0.000 0.994 3160 G HN 0.419 nan 8.290 nan 0.000 0.493 3161 A N -0.504 122.314 122.820 -0.004 0.000 1.908 3161 A HA 0.015 4.335 4.320 0.001 0.000 0.218 3161 A C 2.584 180.170 177.584 0.002 0.000 1.181 3161 A CA 2.523 54.556 52.037 -0.007 0.000 0.627 3161 A CB -1.158 17.821 19.000 -0.035 0.000 0.818 3161 A HN 1.150 nan 8.150 nan 0.000 0.445 3162 G N -0.714 108.088 108.800 0.003 0.000 2.450 3162 G HA2 -0.013 3.947 3.960 0.001 0.000 0.220 3162 G HA3 -0.013 3.947 3.960 0.001 0.000 0.220 3162 G C 1.679 176.669 174.900 0.150 0.000 1.130 3162 G CA 1.467 46.583 45.100 0.027 0.000 0.760 3162 G HN 0.828 nan 8.290 nan 0.000 0.557 3163 A N 0.735 123.643 122.820 0.147 0.000 1.898 3163 A HA 0.107 4.428 4.320 0.001 0.000 0.216 3163 A C 2.385 180.069 177.584 0.167 0.000 1.181 3163 A CA 1.153 53.301 52.037 0.184 0.000 0.620 3163 A CB -0.293 18.770 19.000 0.106 0.000 0.819 3163 A HN 0.370 nan 8.150 nan 0.000 0.442 3164 I N -0.262 120.370 120.570 0.105 0.000 2.226 3164 I HA -0.257 3.913 4.170 0.001 0.000 0.245 3164 I C 2.358 178.542 176.117 0.113 0.000 1.100 3164 I CA 1.052 62.408 61.300 0.093 0.000 1.374 3164 I CB -0.408 37.630 38.000 0.063 0.000 1.057 3164 I HN 0.283 nan 8.210 nan 0.000 0.413 3165 L N -0.335 120.936 121.223 0.080 0.000 2.042 3165 L HA -0.247 4.093 4.340 0.001 0.000 0.210 3165 L C 2.554 179.440 176.870 0.026 0.000 1.076 3165 L CA 1.537 56.410 54.840 0.056 0.000 0.749 3165 L CB -0.594 41.374 42.059 -0.152 0.000 0.893 3165 L HN 0.134 nan 8.230 nan 0.000 0.432 3166 F N -0.633 119.362 119.950 0.075 0.000 2.171 3166 F HA -0.233 4.294 4.527 0.001 0.000 0.300 3166 F C 2.211 178.056 175.800 0.075 0.000 1.090 3166 F CA 1.063 59.102 58.000 0.065 0.000 1.293 3166 F CB -0.482 38.539 39.000 0.034 0.000 1.013 3166 F HN 0.017 nan 8.300 nan 0.000 0.486 3167 L N 0.340 121.709 121.223 0.243 0.000 2.012 3167 L HA -0.205 4.135 4.340 0.001 0.000 0.210 3167 L C 1.998 178.938 176.870 0.117 0.000 1.073 3167 L CA 1.927 56.860 54.840 0.154 0.000 0.748 3167 L CB -1.397 40.728 42.059 0.110 0.000 0.891 3167 L HN 0.188 nan 8.230 nan 0.000 0.431 3168 L N -0.234 121.055 121.223 0.110 0.000 2.046 3168 L HA -0.204 4.136 4.340 0.001 0.000 0.208 3168 L C 2.655 179.589 176.870 0.106 0.000 1.077 3168 L CA 1.615 56.479 54.840 0.041 0.000 0.747 3168 L CB -0.521 41.521 42.059 -0.028 0.000 0.896 3168 L HN 0.443 nan 8.230 nan 0.000 0.432 3169 E N 0.316 120.653 120.200 0.230 0.000 2.058 3169 E HA -0.246 4.105 4.350 0.001 0.000 0.194 3169 E C 2.142 178.836 176.600 0.157 0.000 0.997 3169 E CA 1.137 57.672 56.400 0.225 0.000 0.801 3169 E CB 0.205 29.977 29.700 0.120 0.000 0.746 3169 E HN 0.229 nan 8.360 nan 0.000 0.450 3170 K N 0.155 120.653 120.400 0.165 0.000 2.057 3170 K HA -0.101 4.219 4.320 0.001 0.000 0.207 3170 K C 2.042 178.688 176.600 0.077 0.000 1.049 3170 K CA 1.160 57.523 56.287 0.126 0.000 0.931 3170 K CB -0.435 32.142 32.500 0.129 0.000 0.714 3170 K HN 0.222 nan 8.250 nan 0.000 0.440 3171 A N 0.876 123.730 122.820 0.057 0.000 2.015 3171 A HA -0.107 4.213 4.320 0.001 0.000 0.219 3171 A C 2.097 179.681 177.584 0.001 0.000 1.163 3171 A CA 2.172 54.221 52.037 0.020 0.000 0.646 3171 A CB -0.469 18.525 19.000 -0.010 0.000 0.806 3171 A HN 0.495 nan 8.150 nan 0.000 0.448 3172 T N -5.739 108.817 114.554 0.003 0.000 2.990 3172 T HA 0.257 4.608 4.350 0.001 0.000 0.250 3172 T C 0.838 175.555 174.700 0.029 0.000 1.041 3172 T CA 0.538 62.632 62.100 -0.010 0.000 1.010 3172 T CB 0.042 68.873 68.868 -0.061 0.000 1.003 3172 T HN 0.476 nan 8.240 nan 0.000 0.499 3173 R N -0.364 120.171 120.500 0.058 0.000 3.963 3173 R HA -0.111 4.229 4.340 0.001 0.000 0.394 3173 R C -0.067 176.281 176.300 0.080 0.000 1.131 3173 R CA 0.741 56.881 56.100 0.066 0.000 1.059 3173 R CB -2.726 27.601 30.300 0.045 0.000 1.614 3173 R HN 0.649 nan 8.270 nan 0.000 0.546 3174 V N -1.068 118.917 119.914 0.118 0.000 2.417 3174 V HA 0.534 4.655 4.120 0.001 0.000 0.291 3174 V C 0.281 176.488 176.094 0.189 0.000 1.024 3174 V CA -1.007 61.383 62.300 0.149 0.000 0.861 3174 V CB 1.885 33.812 31.823 0.173 0.000 0.985 3174 V HN -0.005 nan 8.190 nan 0.000 0.436 3175 K N 6.950 127.389 120.400 0.066 0.000 2.339 3175 K HA 0.407 4.728 4.320 0.001 0.000 0.286 3175 K C -2.373 174.103 176.600 -0.207 0.000 1.050 3175 K CA -1.382 54.868 56.287 -0.062 0.000 0.956 3175 K CB 1.435 33.896 32.500 -0.066 0.000 0.990 3175 K HN 0.700 nan 8.250 nan 0.000 0.475 3176 P HA 0.116 nan 4.420 nan 0.000 0.278 3176 P C -0.296 176.692 177.300 -0.520 0.000 1.238 3176 P CA -0.657 61.846 63.100 -0.996 0.000 0.794 3176 P CB 0.656 31.272 31.700 -1.807 0.000 0.955 3177 I N 2.983 123.323 120.570 -0.383 0.000 2.337 3177 I HA 0.248 4.418 4.170 0.001 0.000 0.291 3177 I C -0.448 175.454 176.117 -0.359 0.000 1.046 3177 I CA -0.726 60.401 61.300 -0.289 0.000 1.324 3177 I CB -0.562 37.323 38.000 -0.192 0.000 1.409 3177 I HN 0.169 nan 8.210 nan 0.000 0.494 3178 I N 8.363 128.737 120.570 -0.328 0.000 2.331 3178 I HA 0.202 4.372 4.170 0.001 0.000 0.292 3178 I C 0.851 176.797 176.117 -0.284 0.000 0.998 3178 I CA -0.598 60.522 61.300 -0.300 0.000 1.267 3178 I CB 1.347 39.190 38.000 -0.262 0.000 1.386 3178 I HN 0.591 nan 8.210 nan 0.000 0.476 3179 I N 4.120 124.524 120.570 -0.275 0.000 2.296 3179 I HA 0.061 4.231 4.170 0.001 0.000 0.242 3179 I C 1.746 177.760 176.117 -0.171 0.000 1.087 3179 I CA 0.722 61.871 61.300 -0.252 0.000 1.393 3179 I CB -1.249 36.606 38.000 -0.241 0.000 1.093 3179 I HN 0.622 nan 8.210 nan 0.000 0.421 3180 G N 1.370 110.077 108.800 -0.155 0.000 2.716 3180 G HA2 0.021 3.982 3.960 0.001 0.000 0.251 3180 G HA3 0.021 3.982 3.960 0.001 0.000 0.251 3180 G C 0.051 174.888 174.900 -0.105 0.000 1.224 3180 G CA -0.400 44.626 45.100 -0.123 0.000 0.891 3180 G HN 0.271 nan 8.290 nan 0.000 0.561 3181 K N 1.111 121.458 120.400 -0.088 0.000 2.485 3181 K HA 0.073 4.394 4.320 0.001 0.000 0.277 3181 K C -1.658 174.886 176.600 -0.093 0.000 0.990 3181 K CA -0.674 55.563 56.287 -0.083 0.000 0.994 3181 K CB 0.989 33.443 32.500 -0.077 0.000 0.906 3181 K HN 0.286 nan 8.250 nan 0.000 0.488 3182 P HA 0.057 nan 4.420 nan 0.000 0.254 3182 P C -0.704 176.549 177.300 -0.080 0.000 1.494 3182 P CA 0.147 63.194 63.100 -0.088 0.000 0.961 3182 P CB 0.462 32.101 31.700 -0.100 0.000 1.493 3183 E N 0.189 120.337 120.200 -0.087 0.000 2.391 3183 E HA 0.230 4.580 4.350 0.001 0.000 0.255 3183 E C 1.516 178.073 176.600 -0.072 0.000 1.187 3183 E CA -0.174 56.173 56.400 -0.088 0.000 0.941 3183 E CB 0.594 30.222 29.700 -0.120 0.000 1.010 3183 E HN -0.034 nan 8.360 nan 0.000 0.458 3184 A N 1.520 124.300 122.820 -0.065 0.000 1.877 3184 A HA -0.157 4.163 4.320 0.001 0.000 0.216 3184 A C 2.232 179.800 177.584 -0.027 0.000 1.186 3184 A CA 1.647 53.660 52.037 -0.040 0.000 0.620 3184 A CB -0.715 18.267 19.000 -0.030 0.000 0.822 3184 A HN 0.366 nan 8.150 nan 0.000 0.443 3185 V N -0.003 119.878 119.914 -0.054 0.000 2.282 3185 V HA -0.300 3.820 4.120 0.001 0.000 0.249 3185 V C 2.397 178.510 176.094 0.032 0.000 1.057 3185 V CA 2.171 64.458 62.300 -0.023 0.000 1.032 3185 V CB -0.674 31.079 31.823 -0.117 0.000 0.645 3185 V HN 0.654 nan 8.190 nan 0.000 0.447 3186 I N -0.911 119.666 120.570 0.011 0.000 2.315 3186 I HA -0.236 3.934 4.170 0.001 0.000 0.248 3186 I C 2.404 178.594 176.117 0.123 0.000 1.117 3186 I CA 1.406 62.762 61.300 0.093 0.000 1.404 3186 I CB -0.001 38.005 38.000 0.010 0.000 1.071 3186 I HN 0.223 nan 8.210 nan 0.000 0.419 3187 M N 0.161 119.788 119.600 0.045 0.000 2.132 3187 M HA -0.170 4.311 4.480 0.001 0.000 0.263 3187 M C 1.902 178.215 176.300 0.022 0.000 1.065 3187 M CA 1.730 57.048 55.300 0.029 0.000 1.122 3187 M CB -1.846 30.752 32.600 -0.002 0.000 1.365 3187 M HN 0.345 nan 8.290 nan 0.000 0.411 3188 N N 0.040 118.754 118.700 0.025 0.000 2.084 3188 N HA -0.156 4.585 4.740 0.001 0.000 0.190 3188 N C 1.703 177.215 175.510 0.002 0.000 1.030 3188 N CA 0.912 53.973 53.050 0.017 0.000 0.849 3188 N CB 0.038 38.543 38.487 0.030 0.000 1.012 3188 N HN 0.229 nan 8.380 nan 0.000 0.423 3189 K N 1.081 121.498 120.400 0.028 0.000 2.057 3189 K HA -0.012 4.309 4.320 0.001 0.000 0.206 3189 K C 2.084 178.538 176.600 -0.243 0.000 1.050 3189 K CA 0.827 57.088 56.287 -0.044 0.000 0.935 3189 K CB -0.434 32.136 32.500 0.117 0.000 0.715 3189 K HN 0.161 nan 8.250 nan 0.000 0.439 3190 A N 1.952 124.675 122.820 -0.160 0.000 1.902 3190 A HA -0.130 4.190 4.320 0.001 0.000 0.217 3190 A C 2.225 179.723 177.584 -0.144 0.000 1.181 3190 A CA 1.097 53.004 52.037 -0.217 0.000 0.623 3190 A CB -0.661 18.354 19.000 0.025 0.000 0.818 3190 A HN 0.232 nan 8.150 nan 0.000 0.443 3191 L N -0.616 120.563 121.223 -0.074 0.000 2.079 3191 L HA -0.206 4.134 4.340 0.001 0.000 0.210 3191 L C 2.226 179.056 176.870 -0.068 0.000 1.081 3191 L CA 2.212 57.021 54.840 -0.052 0.000 0.752 3191 L CB -0.492 41.552 42.059 -0.026 0.000 0.896 3191 L HN 0.474 nan 8.230 nan 0.000 0.433 3192 D N -0.221 120.127 120.400 -0.087 0.000 2.097 3192 D HA -0.203 4.437 4.640 0.001 0.000 0.195 3192 D C 2.174 178.408 176.300 -0.110 0.000 0.989 3192 D CA 1.109 55.059 54.000 -0.084 0.000 0.827 3192 D CB 0.136 40.888 40.800 -0.080 0.000 0.966 3192 D HN 0.336 nan 8.370 nan 0.000 0.456 3193 R N -0.015 120.377 120.500 -0.180 0.000 2.148 3193 R HA -0.104 4.236 4.340 0.001 0.000 0.227 3193 R C 2.286 178.511 176.300 -0.126 0.000 1.103 3193 R CA 0.219 56.210 56.100 -0.182 0.000 0.983 3193 R CB -0.232 29.893 30.300 -0.293 0.000 0.874 3193 R HN 0.152 nan 8.270 nan 0.000 0.451 3194 L N 0.298 121.459 121.223 -0.103 0.000 2.191 3194 L HA -0.006 4.335 4.340 0.001 0.000 0.212 3194 L C 1.117 177.965 176.870 -0.037 0.000 1.103 3194 L CA 1.940 56.746 54.840 -0.056 0.000 0.769 3194 L CB -0.489 41.554 42.059 -0.027 0.000 0.908 3194 L HN 0.457 nan 8.230 nan 0.000 0.438 3195 G N -1.176 107.598 108.800 -0.043 0.000 2.160 3195 G HA2 -0.221 3.739 3.960 0.001 0.000 0.251 3195 G HA3 -0.221 3.739 3.960 0.001 0.000 0.251 3195 G C 0.170 175.061 174.900 -0.016 0.000 1.008 3195 G CA 0.365 45.448 45.100 -0.028 0.000 0.724 3195 G HN 0.356 nan 8.290 nan 0.000 0.514 3196 V N -0.417 119.486 119.914 -0.019 0.000 3.074 3196 V HA 0.556 4.677 4.120 0.001 0.000 0.314 3196 V C 0.607 176.678 176.094 -0.039 0.000 1.117 3196 V CA -1.151 61.134 62.300 -0.025 0.000 1.014 3196 V CB 1.980 33.792 31.823 -0.018 0.000 1.057 3196 V HN 0.288 nan 8.190 nan 0.000 0.438 3197 K N 1.118 121.474 120.400 -0.073 0.000 2.202 3197 K HA 0.300 4.620 4.320 0.001 0.000 0.264 3197 K C 1.095 177.642 176.600 -0.089 0.000 1.010 3197 K CA -0.331 55.920 56.287 -0.061 0.000 0.940 3197 K CB 0.884 33.353 32.500 -0.051 0.000 0.983 3197 K HN 0.505 nan 8.250 nan 0.000 0.475 3198 R N 1.738 122.245 120.500 0.013 0.000 2.113 3198 R HA -0.217 4.124 4.340 0.001 0.000 0.244 3198 R C 2.127 178.456 176.300 0.048 0.000 1.142 3198 R CA 2.091 58.213 56.100 0.037 0.000 0.953 3198 R CB -0.252 30.094 30.300 0.077 0.000 0.860 3198 R HN 0.756 nan 8.270 nan 0.000 0.438 3199 H N -1.001 118.103 119.070 0.057 0.000 2.563 3199 H HA 0.027 4.584 4.556 0.001 0.000 0.272 3199 H C 0.451 175.853 175.328 0.123 0.000 1.005 3199 H CA 0.899 56.998 56.048 0.084 0.000 1.171 3199 H CB 0.092 29.888 29.762 0.058 0.000 1.351 3199 H HN 0.468 nan 8.280 nan 0.000 0.602 3200 E N 0.521 120.492 120.200 -0.381 0.000 2.472 3200 E HA 0.331 4.681 4.350 0.001 0.000 0.196 3200 E C 0.588 177.219 176.600 0.052 0.000 1.033 3200 E CA 0.027 56.308 56.400 -0.199 0.000 0.886 3200 E CB 0.753 30.280 29.700 -0.289 0.000 0.944 3200 E HN 0.475 nan 8.360 nan 0.000 0.492 3201 A N 1.421 124.256 122.820 0.025 0.000 2.256 3201 A HA 0.740 5.061 4.320 0.001 0.000 0.318 3201 A C -0.544 176.972 177.584 -0.114 0.000 1.103 3201 A CA -0.517 51.498 52.037 -0.036 0.000 0.860 3201 A CB 0.921 19.892 19.000 -0.049 0.000 1.182 3201 A HN 0.203 nan 8.150 nan 0.000 0.501 3202 I N 0.044 120.424 120.570 -0.316 0.000 2.722 3202 I HA 0.477 4.647 4.170 0.001 0.000 0.292 3202 I C -1.318 174.632 176.117 -0.277 0.000 1.267 3202 I CA -0.800 60.241 61.300 -0.432 0.000 1.036 3202 I CB 1.962 39.417 38.000 -0.909 0.000 1.281 3202 I HN 0.754 nan 8.210 nan 0.000 0.423 3203 M N 8.285 127.771 119.600 -0.190 0.000 2.157 3203 M HA 0.503 4.983 4.480 0.001 0.000 0.354 3203 M C -1.760 174.456 176.300 -0.141 0.000 1.170 3203 M CA -0.196 55.033 55.300 -0.119 0.000 1.060 3203 M CB 1.127 33.672 32.600 -0.092 0.000 1.615 3203 M HN 0.288 nan 8.290 nan 0.000 0.460 3204 V N 5.519 125.364 119.914 -0.115 0.000 2.384 3204 V HA 0.971 5.092 4.120 0.001 0.000 0.287 3204 V C 0.417 176.423 176.094 -0.147 0.000 1.020 3204 V CA -0.261 61.933 62.300 -0.177 0.000 0.850 3204 V CB 0.782 32.467 31.823 -0.230 0.000 0.987 3204 V HN 1.007 nan 8.190 nan 0.000 0.436 3205 G N 2.779 111.491 108.800 -0.147 0.000 2.600 3205 G HA2 0.503 4.463 3.960 0.001 0.000 0.293 3205 G HA3 0.503 4.463 3.960 0.001 0.000 0.293 3205 G C -0.346 174.500 174.900 -0.089 0.000 1.408 3205 G CA 0.153 45.184 45.100 -0.114 0.000 0.782 3205 G HN 0.561 nan 8.290 nan 0.000 0.482 3206 D N -1.502 118.862 120.400 -0.061 0.000 2.454 3206 D HA 0.021 4.661 4.640 0.001 0.000 0.214 3206 D C -0.072 176.276 176.300 0.081 0.000 1.088 3206 D CA -0.141 53.851 54.000 -0.014 0.000 0.855 3206 D CB 0.561 41.339 40.800 -0.036 0.000 1.025 3206 D HN 0.177 nan 8.370 nan 0.000 0.502 3207 N N 0.495 119.241 118.700 0.076 0.000 2.469 3207 N HA -0.001 4.739 4.740 0.001 0.000 0.253 3207 N C 0.119 175.717 175.510 0.148 0.000 0.970 3207 N CA -0.454 52.704 53.050 0.179 0.000 0.940 3207 N CB 1.036 39.531 38.487 0.014 0.000 1.128 3207 N HN -0.042 nan 8.380 nan 0.000 0.503 3208 Y N 4.331 124.713 120.300 0.137 0.000 2.128 3208 Y HA -0.237 4.314 4.550 0.001 0.000 0.284 3208 Y C 1.894 177.825 175.900 0.053 0.000 1.154 3208 Y CA 1.747 59.891 58.100 0.072 0.000 1.149 3208 Y CB -0.032 38.469 38.460 0.069 0.000 0.976 3208 Y HN 0.603 nan 8.280 nan 0.000 0.505 3209 L N -0.140 121.148 121.223 0.108 0.000 2.093 3209 L HA -0.120 4.221 4.340 0.001 0.000 0.208 3209 L C 2.434 179.234 176.870 -0.117 0.000 1.085 3209 L CA 2.674 57.504 54.840 -0.017 0.000 0.755 3209 L CB -1.166 40.951 42.059 0.098 0.000 0.904 3209 L HN 0.530 nan 8.230 nan 0.000 0.435 3210 T N -5.138 109.350 114.554 -0.110 0.000 2.983 3210 T HA 0.006 4.357 4.350 0.001 0.000 0.250 3210 T C 1.517 176.141 174.700 -0.125 0.000 1.037 3210 T CA 0.732 62.758 62.100 -0.123 0.000 1.142 3210 T CB -0.312 68.475 68.868 -0.135 0.000 0.876 3210 T HN 0.301 nan 8.240 nan 0.000 0.455 3211 D N 1.317 121.644 120.400 -0.122 0.000 2.290 3211 D HA 0.151 4.792 4.640 0.001 0.000 0.224 3211 D C 2.231 178.441 176.300 -0.150 0.000 0.967 3211 D CA 0.466 54.398 54.000 -0.115 0.000 0.893 3211 D CB 0.063 40.810 40.800 -0.088 0.000 1.037 3211 D HN 0.271 nan 8.370 nan 0.000 0.477 3212 I N 1.556 122.002 120.570 -0.207 0.000 2.252 3212 I HA -0.135 4.035 4.170 0.001 0.000 0.245 3212 I C 2.278 178.196 176.117 -0.331 0.000 1.102 3212 I CA 1.103 62.247 61.300 -0.260 0.000 1.385 3212 I CB -1.558 36.259 38.000 -0.305 0.000 1.064 3212 I HN -0.067 nan 8.210 nan 0.000 0.414 3213 T N 1.521 115.807 114.554 -0.446 0.000 2.833 3213 T HA -0.064 4.286 4.350 0.001 0.000 0.269 3213 T C 2.046 176.637 174.700 -0.182 0.000 1.054 3213 T CA 1.331 63.231 62.100 -0.333 0.000 1.135 3213 T CB -0.194 68.495 68.868 -0.299 0.000 0.869 3213 T HN 0.448 nan 8.240 nan 0.000 0.466 3214 A N 1.188 123.912 122.820 -0.160 0.000 1.933 3214 A HA 0.118 4.438 4.320 0.001 0.000 0.218 3214 A C 2.511 180.042 177.584 -0.088 0.000 1.175 3214 A CA 1.823 53.796 52.037 -0.106 0.000 0.628 3214 A CB -1.170 17.774 19.000 -0.093 0.000 0.814 3214 A HN 0.512 nan 8.150 nan 0.000 0.444 3215 G N 0.039 108.778 108.800 -0.101 0.000 2.424 3215 G HA2 -0.096 3.864 3.960 0.001 0.000 0.214 3215 G HA3 -0.096 3.864 3.960 0.001 0.000 0.214 3215 G C 1.525 176.389 174.900 -0.061 0.000 1.202 3215 G CA 0.932 45.987 45.100 -0.075 0.000 0.793 3215 G HN 0.428 nan 8.290 nan 0.000 0.534 3216 I N 0.592 121.117 120.570 -0.076 0.000 2.118 3216 I HA -0.243 3.927 4.170 0.001 0.000 0.241 3216 I C 2.773 178.867 176.117 -0.039 0.000 1.070 3216 I CA 1.575 62.845 61.300 -0.051 0.000 1.327 3216 I CB -0.222 37.742 38.000 -0.060 0.000 1.034 3216 I HN 0.094 nan 8.210 nan 0.000 0.405 3217 K N 0.731 121.100 120.400 -0.053 0.000 2.152 3217 K HA -0.156 4.164 4.320 0.001 0.000 0.206 3217 K C 1.070 177.653 176.600 -0.028 0.000 1.048 3217 K CA 1.325 57.589 56.287 -0.039 0.000 0.933 3217 K CB -0.082 32.387 32.500 -0.051 0.000 0.721 3217 K HN 0.411 nan 8.250 nan 0.000 0.447 3218 N N 1.381 120.063 118.700 -0.030 0.000 2.251 3218 N HA -0.053 4.687 4.740 0.001 0.000 0.217 3218 N C -0.761 174.747 175.510 -0.004 0.000 1.124 3218 N CA 0.157 53.197 53.050 -0.017 0.000 0.843 3218 N CB 0.483 38.958 38.487 -0.021 0.000 1.024 3218 N HN 0.125 nan 8.380 nan 0.000 0.501 3219 D N 1.067 121.466 120.400 -0.002 0.000 2.705 3219 D HA -0.171 4.469 4.640 0.001 0.000 0.240 3219 D C -0.942 175.373 176.300 0.025 0.000 1.137 3219 D CA 0.647 54.655 54.000 0.014 0.000 0.677 3219 D CB -1.307 39.506 40.800 0.023 0.000 1.049 3219 D HN 0.374 nan 8.370 nan 0.000 0.427 3220 I N 0.062 120.636 120.570 0.007 0.000 2.533 3220 I HA 0.576 4.746 4.170 0.001 0.000 0.290 3220 I C 0.902 177.013 176.117 -0.010 0.000 1.056 3220 I CA -1.073 60.230 61.300 0.006 0.000 1.057 3220 I CB 1.827 39.815 38.000 -0.019 0.000 1.240 3220 I HN 0.193 nan 8.210 nan 0.000 0.423 3221 A N 3.934 126.760 122.820 0.009 0.000 2.547 3221 A HA 0.466 4.786 4.320 0.001 0.000 0.233 3221 A C 0.244 177.773 177.584 -0.092 0.000 1.067 3221 A CA 0.307 52.336 52.037 -0.013 0.000 0.763 3221 A CB -0.015 19.002 19.000 0.028 0.000 1.007 3221 A HN 0.765 nan 8.150 nan 0.000 0.506 3222 T N -0.413 114.100 114.554 -0.067 0.000 2.893 3222 T HA 0.596 4.947 4.350 0.001 0.000 0.293 3222 T C -0.746 173.951 174.700 -0.004 0.000 1.027 3222 T CA -0.578 61.480 62.100 -0.070 0.000 0.988 3222 T CB 1.205 70.038 68.868 -0.058 0.000 1.043 3222 T HN 0.847 nan 8.240 nan 0.000 0.461 3223 L N 4.084 125.267 121.223 -0.066 0.000 2.372 3223 L HA 0.576 4.916 4.340 0.001 0.000 0.273 3223 L C -1.154 175.673 176.870 -0.072 0.000 0.989 3223 L CA -1.149 53.661 54.840 -0.049 0.000 0.841 3223 L CB 1.334 43.206 42.059 -0.312 0.000 1.225 3223 L HN 0.681 nan 8.230 nan 0.000 0.414 3224 L N 6.749 127.975 121.223 0.005 0.000 2.282 3224 L HA 0.519 4.860 4.340 0.001 0.000 0.288 3224 L C -1.072 175.788 176.870 -0.016 0.000 1.033 3224 L CA -0.381 54.461 54.840 0.003 0.000 0.807 3224 L CB 1.823 43.924 42.059 0.070 0.000 1.209 3224 L HN 0.359 nan 8.230 nan 0.000 0.423 3225 V N 4.154 124.034 119.914 -0.057 0.000 2.370 3225 V HA 0.184 4.305 4.120 0.001 0.000 0.283 3225 V C 1.509 177.580 176.094 -0.038 0.000 1.023 3225 V CA -0.227 62.033 62.300 -0.067 0.000 0.857 3225 V CB 1.097 32.842 31.823 -0.131 0.000 0.985 3225 V HN 0.880 nan 8.190 nan 0.000 0.443 3226 T N 0.141 114.681 114.554 -0.024 0.000 3.139 3226 T HA -0.099 4.251 4.350 0.001 0.000 0.267 3226 T C 0.912 175.593 174.700 -0.032 0.000 1.164 3226 T CA 1.105 63.191 62.100 -0.024 0.000 1.075 3226 T CB -0.351 68.505 68.868 -0.020 0.000 0.904 3226 T HN 0.696 nan 8.240 nan 0.000 0.540 3227 T N 0.131 114.662 114.554 -0.039 0.000 2.729 3227 T HA 0.506 4.857 4.350 0.001 0.000 0.298 3227 T C 1.191 175.871 174.700 -0.033 0.000 1.013 3227 T CA 0.629 62.704 62.100 -0.042 0.000 0.957 3227 T CB 0.061 68.895 68.868 -0.058 0.000 1.130 3227 T HN 1.004 nan 8.240 nan 0.000 0.526 3228 G N 0.915 109.696 108.800 -0.032 0.000 2.598 3228 G HA2 -0.288 3.672 3.960 0.001 0.000 0.269 3228 G HA3 -0.288 3.672 3.960 0.001 0.000 0.269 3228 G C 0.400 175.334 174.900 0.056 0.000 1.289 3228 G CA 0.503 45.603 45.100 0.000 0.000 0.926 3228 G HN 0.934 nan 8.290 nan 0.000 0.567 3229 F N 1.697 121.613 119.950 -0.056 0.000 2.041 3229 F HA -0.119 4.409 4.527 0.001 0.000 0.296 3229 F C 2.374 178.163 175.800 -0.019 0.000 1.147 3229 F CA 2.670 60.649 58.000 -0.034 0.000 1.214 3229 F CB -1.096 37.887 39.000 -0.029 0.000 0.947 3229 F HN 0.531 nan 8.300 nan 0.000 0.511 3230 T N 3.666 118.169 114.554 -0.084 0.000 2.754 3230 T HA 0.086 4.436 4.350 0.001 0.000 0.282 3230 T C 0.043 174.655 174.700 -0.147 0.000 0.923 3230 T CA -0.245 61.740 62.100 -0.192 0.000 1.164 3230 T CB -0.243 68.640 68.868 0.025 0.000 0.873 3230 T HN 0.133 nan 8.240 nan 0.000 0.537 3231 K N 5.080 125.358 120.400 -0.203 0.000 2.319 3231 K HA 0.086 4.407 4.320 0.001 0.000 0.265 3231 K C -1.152 175.390 176.600 -0.097 0.000 1.000 3231 K CA -1.658 54.549 56.287 -0.132 0.000 0.943 3231 K CB 0.481 32.898 32.500 -0.139 0.000 0.950 3231 K HN 0.260 nan 8.250 nan 0.000 0.485 3232 P HA -0.166 nan 4.420 nan 0.000 0.219 3232 P C 0.034 177.300 177.300 -0.056 0.000 1.146 3232 P CA 1.438 64.508 63.100 -0.050 0.000 0.808 3232 P CB 0.321 32.000 31.700 -0.035 0.000 0.779 3233 E N 0.302 120.463 120.200 -0.065 0.000 2.285 3233 E HA -0.091 4.259 4.350 0.001 0.000 0.194 3233 E C 1.856 178.408 176.600 -0.079 0.000 0.997 3233 E CA 0.736 57.098 56.400 -0.063 0.000 0.845 3233 E CB -0.575 29.090 29.700 -0.059 0.000 0.782 3233 E HN 0.465 nan 8.360 nan 0.000 0.491 3234 E N 0.408 120.548 120.200 -0.101 0.000 2.358 3234 E HA -0.098 4.252 4.350 0.001 0.000 0.195 3234 E C 2.101 178.616 176.600 -0.141 0.000 1.010 3234 E CA 0.868 57.193 56.400 -0.126 0.000 0.856 3234 E CB -0.001 29.604 29.700 -0.159 0.000 0.795 3234 E HN 0.298 nan 8.360 nan 0.000 0.504 3235 V N -0.668 119.176 119.914 -0.116 0.000 2.407 3235 V HA -0.137 3.983 4.120 0.001 0.000 0.248 3235 V C -0.821 175.205 176.094 -0.113 0.000 1.055 3235 V CA 1.240 63.469 62.300 -0.120 0.000 1.049 3235 V CB -1.791 29.993 31.823 -0.065 0.000 0.662 3235 V HN 0.091 nan 8.190 nan 0.000 0.455 3236 P HA -0.012 nan 4.420 nan 0.000 0.220 3236 P C 1.570 178.819 177.300 -0.084 0.000 1.148 3236 P CA 2.139 65.197 63.100 -0.070 0.000 0.803 3236 P CB -0.243 31.426 31.700 -0.052 0.000 0.782 3237 A N -1.286 121.471 122.820 -0.106 0.000 2.218 3237 A HA 0.074 4.395 4.320 0.001 0.000 0.209 3237 A C 0.880 178.372 177.584 -0.153 0.000 1.168 3237 A CA -0.024 51.947 52.037 -0.109 0.000 0.804 3237 A CB -1.053 17.888 19.000 -0.098 0.000 0.834 3237 A HN 0.102 nan 8.150 nan 0.000 0.482 3238 L N 0.926 122.012 121.223 -0.229 0.000 2.525 3238 L HA 0.048 4.389 4.340 0.001 0.000 0.278 3238 L C -0.674 176.080 176.870 -0.192 0.000 1.218 3238 L CA -1.136 53.480 54.840 -0.373 0.000 0.878 3238 L CB 0.264 41.976 42.059 -0.578 0.000 1.127 3238 L HN 0.217 nan 8.230 nan 0.000 0.492 3239 P HA -0.076 nan 4.420 nan 0.000 0.217 3239 P C 0.175 177.495 177.300 0.033 0.000 1.150 3239 P CA 1.323 64.418 63.100 -0.009 0.000 0.832 3239 P CB 0.464 32.192 31.700 0.048 0.000 0.787 3240 I N 0.443 121.074 120.570 0.102 0.000 2.478 3240 I HA 0.256 4.426 4.170 0.001 0.000 0.287 3240 I C 0.216 176.418 176.117 0.143 0.000 1.042 3240 I CA -1.297 60.076 61.300 0.120 0.000 1.067 3240 I CB 1.634 39.724 38.000 0.151 0.000 1.233 3240 I HN -0.098 nan 8.210 nan 0.000 0.431 3241 Q N 6.653 126.490 119.800 0.061 0.000 2.332 3241 Q HA 0.314 4.655 4.340 0.001 0.000 0.263 3241 Q C -2.011 174.030 176.000 0.069 0.000 0.979 3241 Q CA -1.239 54.594 55.803 0.050 0.000 0.885 3241 Q CB 0.855 29.595 28.738 0.004 0.000 1.218 3241 Q HN 0.375 nan 8.270 nan 0.000 0.405 3242 P HA 0.039 nan 4.420 nan 0.000 0.273 3242 P C -0.046 177.225 177.300 -0.050 0.000 1.250 3242 P CA -0.253 62.877 63.100 0.050 0.000 0.793 3242 P CB 0.923 32.675 31.700 0.085 0.000 1.011 3243 D N -0.719 119.604 120.400 -0.129 0.000 2.178 3243 D HA -0.034 4.607 4.640 0.001 0.000 0.202 3243 D C 0.156 176.051 176.300 -0.676 0.000 0.974 3243 D CA 1.670 55.428 54.000 -0.402 0.000 0.841 3243 D CB -0.005 40.532 40.800 -0.438 0.000 0.953 3243 D HN 0.296 nan 8.370 nan 0.000 0.478 3244 F N -0.524 119.476 119.950 0.083 0.000 2.591 3244 F HA 0.352 4.880 4.527 0.001 0.000 0.309 3244 F C -0.354 175.486 175.800 0.067 0.000 1.098 3244 F CA -1.049 57.019 58.000 0.114 0.000 0.937 3244 F CB 2.093 41.225 39.000 0.219 0.000 1.250 3244 F HN -0.448 nan 8.300 nan 0.000 0.447 3245 V N 4.276 124.348 119.914 0.264 0.000 2.577 3245 V HA 0.620 4.741 4.120 0.001 0.000 0.303 3245 V C -0.647 175.527 176.094 0.134 0.000 1.042 3245 V CA -0.685 61.702 62.300 0.145 0.000 0.872 3245 V CB 1.970 33.846 31.823 0.088 0.000 0.998 3245 V HN 0.597 nan 8.190 nan 0.000 0.423 3246 L N 2.986 124.260 121.223 0.085 0.000 2.388 3246 L HA 0.483 4.823 4.340 0.001 0.000 0.264 3246 L C 1.120 178.003 176.870 0.022 0.000 0.998 3246 L CA -0.480 54.399 54.840 0.065 0.000 0.817 3246 L CB 2.663 44.767 42.059 0.076 0.000 1.338 3246 L HN 0.726 nan 8.230 nan 0.000 0.414 3247 S N -0.811 114.901 115.700 0.020 0.000 2.470 3247 S HA 0.052 4.522 4.470 0.001 0.000 0.225 3247 S C 0.586 175.182 174.600 -0.007 0.000 1.006 3247 S CA 0.220 58.422 58.200 0.003 0.000 0.934 3247 S CB 0.248 63.453 63.200 0.008 0.000 0.778 3247 S HN 0.546 nan 8.310 nan 0.000 0.517 3248 S N -0.198 115.502 115.700 -0.001 0.000 2.533 3248 S HA 0.509 4.979 4.470 0.001 0.000 0.271 3248 S C 0.274 174.870 174.600 -0.007 0.000 1.143 3248 S CA -0.829 57.365 58.200 -0.009 0.000 0.891 3248 S CB 0.888 64.095 63.200 0.012 0.000 1.105 3248 S HN 0.082 nan 8.310 nan 0.000 0.468 3249 L N 3.209 124.398 121.223 -0.056 0.000 2.265 3249 L HA -0.001 4.339 4.340 0.001 0.000 0.215 3249 L C 2.728 179.688 176.870 0.149 0.000 1.117 3249 L CA 2.115 56.909 54.840 -0.076 0.000 0.782 3249 L CB -2.092 39.795 42.059 -0.287 0.000 0.914 3249 L HN 0.897 nan 8.230 nan 0.000 0.441 3250 A N -0.177 122.714 122.820 0.118 0.000 2.070 3250 A HA -0.188 4.132 4.320 0.001 0.000 0.220 3250 A C 2.104 179.759 177.584 0.119 0.000 1.159 3250 A CA 1.197 53.315 52.037 0.134 0.000 0.656 3250 A CB -0.348 18.704 19.000 0.086 0.000 0.800 3250 A HN 0.516 nan 8.150 nan 0.000 0.453 3251 E N -1.466 118.797 120.200 0.105 0.000 2.427 3251 E HA -0.089 4.262 4.350 0.001 0.000 0.196 3251 E C 0.446 177.100 176.600 0.090 0.000 1.028 3251 E CA -0.251 56.197 56.400 0.079 0.000 0.864 3251 E CB -0.021 29.721 29.700 0.070 0.000 0.813 3251 E HN 0.784 nan 8.360 nan 0.000 0.514 3252 W N 2.533 123.790 121.300 -0.073 0.000 2.266 3252 W HA 0.094 4.754 4.660 0.001 0.000 0.317 3252 W C -0.645 175.718 176.519 -0.260 0.000 1.310 3252 W CA -0.098 57.143 57.345 -0.173 0.000 1.207 3252 W CB 0.688 30.069 29.460 -0.131 0.000 1.199 3252 W HN -0.106 nan 8.180 nan 0.000 0.544 3253 D N 5.407 125.241 120.400 -0.943 0.000 2.425 3253 D HA 0.292 4.932 4.640 0.001 0.000 0.240 3253 D C -0.663 175.101 176.300 -0.895 0.000 1.080 3253 D CA -0.379 53.218 54.000 -0.672 0.000 0.836 3253 D CB 0.564 41.119 40.800 -0.408 0.000 1.125 3253 D HN 0.059 nan 8.370 nan 0.000 0.525 3254 F N 0.000 119.757 119.950 -0.322 0.000 2.286 3254 F HA 0.000 4.527 4.527 0.001 0.000 0.279 3254 F CA 0.000 57.937 58.000 -0.106 0.000 1.383 3254 F CB 0.000 39.013 39.000 0.022 0.000 1.145 3254 F HN 0.000 nan 8.300 nan 0.000 0.574