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 1m5h_1_D DATA FIRST_RESID 3001 DATA SEQUENCE MKVNGVEVEE TFAEAFDIKI ARVLITGYDY YWAWVAANEA TGFGTSVIMC DATA SEQUENCE PAEAGIEIKA KPSETPDGRP GYYIQICHMS KKGLEEQLLA RLGQCVLTAP DATA SEQUENCE TTAVFNGLPD AEEKDDTGFK LKFFADGYQK EVEVGGRKCW AVPMMEGDFI DATA SEQUENCE IENDIGYTNG IAGGNFFIMA ETQPSALAAA KAAVDAISDV EGVITPFPGG DATA SEQUENCE IVASGSKVGA NKYKFLKAST NEKFAPSIRD QVEGTQIPAG VKAVYEIVIN DATA SEQUENCE GLNADAIKEA TRVGILAATK IPGVVKITAG NYGGKLGKHI INLNELF 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 0.000 176.247 176.300 -0.089 0.000 1.140 3001 M CA 0.000 55.270 55.300 -0.051 0.000 0.988 3001 M CB 0.000 32.569 32.600 -0.052 0.000 1.302 3002 K N 2.481 122.825 120.400 -0.093 0.000 2.376 3002 K HA 0.798 5.118 4.320 -0.001 0.000 0.257 3002 K C -1.726 174.784 176.600 -0.149 0.000 0.939 3002 K CA -0.401 55.822 56.287 -0.107 0.000 0.809 3002 K CB 2.405 34.867 32.500 -0.062 0.000 1.121 3002 K HN 0.392 nan 8.250 nan 0.000 0.425 3003 V N 3.935 123.727 119.914 -0.203 0.000 2.443 3003 V HA 0.315 4.434 4.120 -0.001 0.000 0.293 3003 V C -0.067 175.947 176.094 -0.134 0.000 1.021 3003 V CA -1.047 61.116 62.300 -0.229 0.000 0.848 3003 V CB 1.218 32.736 31.823 -0.509 0.000 0.998 3003 V HN 0.954 nan 8.190 nan 0.000 0.424 3004 N N 3.764 122.420 118.700 -0.072 0.000 2.721 3004 N HA -0.250 4.490 4.740 -0.001 0.000 0.249 3004 N C 1.175 176.661 175.510 -0.040 0.000 1.072 3004 N CA 0.559 53.584 53.050 -0.041 0.000 0.710 3004 N CB -0.706 37.761 38.487 -0.033 0.000 0.993 3004 N HN 1.422 nan 8.380 nan 0.000 0.547 3005 G N -2.324 106.450 108.800 -0.044 0.000 2.234 3005 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.260 3005 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.260 3005 G C 0.235 175.111 174.900 -0.040 0.000 0.987 3005 G CA 0.446 45.525 45.100 -0.035 0.000 0.625 3005 G HN 0.384 nan 8.290 nan 0.000 0.532 3006 V N 1.008 120.887 119.914 -0.057 0.000 2.743 3006 V HA 0.544 4.664 4.120 -0.001 0.000 0.301 3006 V C 0.659 176.708 176.094 -0.074 0.000 1.057 3006 V CA -0.974 61.294 62.300 -0.055 0.000 1.006 3006 V CB 1.868 33.660 31.823 -0.052 0.000 1.024 3006 V HN 0.265 nan 8.190 nan 0.000 0.473 3007 E N 2.089 122.258 120.200 -0.051 0.000 2.290 3007 E HA 0.300 4.649 4.350 -0.001 0.000 0.277 3007 E C -1.236 175.323 176.600 -0.069 0.000 1.035 3007 E CA 0.041 56.410 56.400 -0.052 0.000 0.873 3007 E CB 1.382 31.067 29.700 -0.025 0.000 1.029 3007 E HN 0.417 nan 8.360 nan 0.000 0.419 3008 V N 4.698 124.552 119.914 -0.100 0.000 2.444 3008 V HA 0.182 4.301 4.120 -0.001 0.000 0.294 3008 V C 0.294 176.346 176.094 -0.069 0.000 1.022 3008 V CA -0.843 61.386 62.300 -0.119 0.000 0.850 3008 V CB 1.628 33.296 31.823 -0.258 0.000 0.992 3008 V HN 0.603 nan 8.190 nan 0.000 0.426 3009 E N 3.442 123.621 120.200 -0.036 0.000 2.360 3009 E HA 0.131 4.480 4.350 -0.001 0.000 0.269 3009 E C -0.122 176.476 176.600 -0.004 0.000 1.022 3009 E CA -0.300 56.091 56.400 -0.016 0.000 0.887 3009 E CB 0.717 30.412 29.700 -0.008 0.000 0.990 3009 E HN 0.697 nan 8.360 nan 0.000 0.426 3010 E N 3.570 123.779 120.200 0.014 0.000 1.972 3010 E HA 0.053 4.403 4.350 -0.001 0.000 0.292 3010 E C -0.238 176.405 176.600 0.072 0.000 1.193 3010 E CA -0.053 56.372 56.400 0.042 0.000 1.228 3010 E CB 0.812 30.535 29.700 0.038 0.000 1.167 3010 E HN 0.314 nan 8.360 nan 0.000 0.479 3011 T N 0.630 115.227 114.554 0.071 0.000 2.645 3011 T HA 0.697 5.046 4.350 -0.001 0.000 0.273 3011 T C -1.435 173.376 174.700 0.185 0.000 0.960 3011 T CA -0.713 61.456 62.100 0.116 0.000 1.051 3011 T CB 0.723 69.561 68.868 -0.050 0.000 1.366 3011 T HN 0.301 nan 8.240 nan 0.000 0.536 3012 F N -0.343 119.570 119.950 -0.061 0.000 2.629 3012 F HA 0.918 5.445 4.527 -0.001 0.000 0.316 3012 F C -0.611 175.129 175.800 -0.100 0.000 1.081 3012 F CA -1.555 56.408 58.000 -0.060 0.000 0.954 3012 F CB 1.037 40.014 39.000 -0.039 0.000 1.337 3012 F HN 0.641 nan 8.300 nan 0.000 0.474 3013 A N 0.953 123.794 122.820 0.034 0.000 2.312 3013 A HA 0.552 4.871 4.320 -0.001 0.000 0.326 3013 A C -0.873 176.757 177.584 0.078 0.000 1.172 3013 A CA -0.589 51.408 52.037 -0.066 0.000 0.821 3013 A CB 1.031 20.029 19.000 -0.004 0.000 1.166 3013 A HN 0.871 nan 8.150 nan 0.000 0.493 3014 E N 1.597 121.801 120.200 0.006 0.000 2.101 3014 E HA 0.534 4.883 4.350 -0.001 0.000 0.260 3014 E C -0.182 176.301 176.600 -0.196 0.000 0.897 3014 E CA -0.445 55.970 56.400 0.025 0.000 0.744 3014 E CB 0.953 30.724 29.700 0.120 0.000 1.140 3014 E HN 0.823 nan 8.360 nan 0.000 0.419 3015 A N 3.676 126.392 122.820 -0.173 0.000 2.264 3015 A HA 0.683 5.003 4.320 -0.001 0.000 0.304 3015 A C -0.952 176.410 177.584 -0.370 0.000 1.100 3015 A CA -0.385 51.532 52.037 -0.201 0.000 0.839 3015 A CB 0.452 19.451 19.000 -0.002 0.000 1.121 3015 A HN 0.558 nan 8.150 nan 0.000 0.496 3016 F N -0.746 119.305 119.950 0.169 0.000 2.594 3016 F HA 0.422 4.948 4.527 -0.001 0.000 0.335 3016 F C 0.098 176.001 175.800 0.170 0.000 1.058 3016 F CA -0.566 57.530 58.000 0.160 0.000 0.981 3016 F CB 1.318 40.359 39.000 0.068 0.000 1.289 3016 F HN 0.528 nan 8.300 nan 0.000 0.490 3017 D N 1.130 121.765 120.400 0.391 0.000 2.302 3017 D HA 0.568 5.207 4.640 -0.001 0.000 0.248 3017 D C -0.918 175.485 176.300 0.172 0.000 1.094 3017 D CA 0.404 54.569 54.000 0.274 0.000 0.897 3017 D CB 0.840 41.787 40.800 0.244 0.000 1.200 3017 D HN 0.441 nan 8.370 nan 0.000 0.429 3018 I N 1.299 121.944 120.570 0.125 0.000 2.842 3018 I HA 0.206 4.375 4.170 -0.001 0.000 0.297 3018 I C -1.347 174.828 176.117 0.097 0.000 1.380 3018 I CA -0.922 60.431 61.300 0.089 0.000 1.018 3018 I CB 1.462 39.505 38.000 0.072 0.000 1.311 3018 I HN 0.058 nan 8.210 nan 0.000 0.439 3019 K N 7.061 127.521 120.400 0.101 0.000 2.234 3019 K HA 0.567 4.886 4.320 -0.001 0.000 0.282 3019 K C -0.983 175.689 176.600 0.121 0.000 1.039 3019 K CA -0.183 56.184 56.287 0.134 0.000 0.928 3019 K CB 1.131 33.696 32.500 0.107 0.000 1.039 3019 K HN 0.454 nan 8.250 nan 0.000 0.470 3020 I N 1.710 122.371 120.570 0.152 0.000 2.499 3020 I HA 0.312 4.482 4.170 -0.001 0.000 0.288 3020 I C -0.387 175.834 176.117 0.172 0.000 1.048 3020 I CA -0.973 60.404 61.300 0.129 0.000 1.062 3020 I CB 2.102 40.161 38.000 0.098 0.000 1.238 3020 I HN 0.510 nan 8.210 nan 0.000 0.426 3021 A N 6.318 129.226 122.820 0.147 0.000 2.324 3021 A HA 0.753 5.073 4.320 -0.001 0.000 0.330 3021 A C -0.487 177.181 177.584 0.141 0.000 1.165 3021 A CA -0.621 51.519 52.037 0.171 0.000 0.813 3021 A CB 1.208 20.290 19.000 0.137 0.000 1.197 3021 A HN 0.791 nan 8.150 nan 0.000 0.484 3022 R N 1.992 122.583 120.500 0.152 0.000 2.343 3022 R HA 0.595 4.935 4.340 -0.001 0.000 0.320 3022 R C -1.753 174.670 176.300 0.204 0.000 0.956 3022 R CA -0.255 55.944 56.100 0.166 0.000 0.836 3022 R CB 1.308 31.692 30.300 0.139 0.000 1.151 3022 R HN 0.505 nan 8.270 nan 0.000 0.450 3023 V N 5.827 125.869 119.914 0.214 0.000 2.495 3023 V HA 0.373 4.492 4.120 -0.001 0.000 0.298 3023 V C -0.683 175.541 176.094 0.217 0.000 1.031 3023 V CA -0.979 61.440 62.300 0.198 0.000 0.871 3023 V CB 1.671 33.571 31.823 0.129 0.000 0.988 3023 V HN 0.612 nan 8.190 nan 0.000 0.432 3024 L N 6.596 127.927 121.223 0.181 0.000 2.282 3024 L HA 0.679 5.018 4.340 -0.001 0.000 0.288 3024 L C -0.660 176.241 176.870 0.053 0.000 1.033 3024 L CA 0.347 55.184 54.840 -0.005 0.000 0.807 3024 L CB 0.903 42.930 42.059 -0.053 0.000 1.209 3024 L HN 0.553 nan 8.230 nan 0.000 0.423 3025 I N 4.620 125.208 120.570 0.030 0.000 2.406 3025 I HA 0.503 4.673 4.170 -0.001 0.000 0.290 3025 I C -0.009 176.166 176.117 0.097 0.000 0.999 3025 I CA -0.416 60.927 61.300 0.073 0.000 1.124 3025 I CB 2.030 40.083 38.000 0.088 0.000 1.289 3025 I HN 0.744 nan 8.210 nan 0.000 0.441 3026 T N 1.631 116.255 114.554 0.117 0.000 2.926 3026 T HA 0.954 5.304 4.350 -0.001 0.000 0.289 3026 T C -0.145 174.640 174.700 0.142 0.000 1.054 3026 T CA -0.782 61.399 62.100 0.134 0.000 1.015 3026 T CB 2.425 71.408 68.868 0.192 0.000 1.167 3026 T HN 0.830 nan 8.240 nan 0.000 0.526 3027 G N -1.148 107.746 108.800 0.158 0.000 2.570 3027 G HA2 0.413 4.373 3.960 -0.001 0.000 0.310 3027 G HA3 0.413 4.373 3.960 -0.001 0.000 0.310 3027 G C -0.131 174.941 174.900 0.287 0.000 1.266 3027 G CA -0.825 44.392 45.100 0.194 0.000 0.825 3027 G HN 0.731 nan 8.290 nan 0.000 0.483 3028 Y N 0.613 121.007 120.300 0.156 0.000 2.128 3028 Y HA -0.057 4.493 4.550 -0.001 0.000 0.284 3028 Y C 1.497 177.467 175.900 0.117 0.000 1.154 3028 Y CA 1.549 59.737 58.100 0.146 0.000 1.149 3028 Y CB 0.271 38.867 38.460 0.228 0.000 0.976 3028 Y HN 0.671 nan 8.280 nan 0.000 0.505 3029 D N -4.436 116.184 120.400 0.366 0.000 2.812 3029 D HA 0.057 4.697 4.640 -0.001 0.000 0.318 3029 D C 0.053 176.422 176.300 0.114 0.000 1.234 3029 D CA -0.745 53.329 54.000 0.124 0.000 0.989 3029 D CB -0.344 40.576 40.800 0.200 0.000 1.442 3029 D HN -0.022 nan 8.370 nan 0.000 0.537 3030 Y N -1.302 119.106 120.300 0.181 0.000 2.274 3030 Y HA -0.164 4.385 4.550 -0.001 0.000 0.290 3030 Y C 2.136 178.233 175.900 0.329 0.000 1.145 3030 Y CA 1.149 59.364 58.100 0.192 0.000 1.203 3030 Y CB -0.281 38.253 38.460 0.123 0.000 0.984 3030 Y HN 0.467 nan 8.280 nan 0.000 0.533 3031 Y N -0.793 119.654 120.300 0.245 0.000 2.114 3031 Y HA -0.305 4.245 4.550 -0.001 0.000 0.284 3031 Y C 1.776 177.731 175.900 0.091 0.000 1.143 3031 Y CA 1.346 59.479 58.100 0.056 0.000 1.135 3031 Y CB -0.903 37.391 38.460 -0.277 0.000 0.980 3031 Y HN 0.115 nan 8.280 nan 0.000 0.499 3032 W N -0.114 121.251 121.300 0.107 0.000 2.402 3032 W HA -0.097 4.563 4.660 -0.001 0.000 0.286 3032 W C 2.664 179.184 176.519 0.002 0.000 1.221 3032 W CA 1.267 58.582 57.345 -0.049 0.000 1.257 3032 W CB -0.556 28.914 29.460 0.016 0.000 1.120 3032 W HN 0.167 nan 8.180 nan 0.000 0.551 3033 A N -0.369 122.656 122.820 0.342 0.000 1.898 3033 A HA -0.239 4.080 4.320 -0.001 0.000 0.216 3033 A C 1.566 179.344 177.584 0.323 0.000 1.181 3033 A CA 1.463 53.696 52.037 0.326 0.000 0.620 3033 A CB -1.463 17.760 19.000 0.372 0.000 0.819 3033 A HN 0.515 nan 8.150 nan 0.000 0.442 3034 W N 0.701 122.138 121.300 0.227 0.000 2.338 3034 W HA -0.185 4.474 4.660 -0.001 0.000 0.304 3034 W C 1.880 178.308 176.519 -0.151 0.000 1.212 3034 W CA 2.185 59.505 57.345 -0.043 0.000 1.264 3034 W CB -0.320 29.102 29.460 -0.063 0.000 1.142 3034 W HN 0.103 nan 8.180 nan 0.000 0.512 3035 V N 1.438 121.244 119.914 -0.181 0.000 2.332 3035 V HA -0.347 3.772 4.120 -0.001 0.000 0.248 3035 V C 2.510 178.389 176.094 -0.358 0.000 1.055 3035 V CA 2.343 64.422 62.300 -0.367 0.000 1.038 3035 V CB -1.697 30.024 31.823 -0.170 0.000 0.651 3035 V HN 0.365 nan 8.190 nan 0.000 0.450 3036 A N -0.274 122.435 122.820 -0.186 0.000 1.873 3036 A HA -0.041 4.279 4.320 -0.001 0.000 0.215 3036 A C 2.433 179.888 177.584 -0.215 0.000 1.186 3036 A CA 1.905 53.851 52.037 -0.153 0.000 0.616 3036 A CB -0.868 18.098 19.000 -0.058 0.000 0.823 3036 A HN 0.564 nan 8.150 nan 0.000 0.442 3037 A N 0.303 122.983 122.820 -0.234 0.000 1.908 3037 A HA -0.247 4.073 4.320 -0.001 0.000 0.218 3037 A C 1.967 179.317 177.584 -0.391 0.000 1.181 3037 A CA 2.270 54.158 52.037 -0.248 0.000 0.627 3037 A CB -0.820 18.047 19.000 -0.221 0.000 0.818 3037 A HN 0.644 nan 8.150 nan 0.000 0.445 3038 N N -0.349 117.926 118.700 -0.709 0.000 2.084 3038 N HA -0.197 4.543 4.740 -0.001 0.000 0.190 3038 N C 1.729 176.985 175.510 -0.423 0.000 1.030 3038 N CA 1.913 54.507 53.050 -0.761 0.000 0.849 3038 N CB -0.252 37.328 38.487 -1.512 0.000 1.012 3038 N HN 0.473 nan 8.380 nan 0.000 0.423 3039 E N 0.067 120.047 120.200 -0.367 0.000 2.051 3039 E HA -0.006 4.343 4.350 -0.001 0.000 0.192 3039 E C 1.744 178.256 176.600 -0.147 0.000 0.991 3039 E CA 1.503 57.776 56.400 -0.211 0.000 0.799 3039 E CB -0.654 28.942 29.700 -0.174 0.000 0.748 3039 E HN 0.427 nan 8.360 nan 0.000 0.449 3040 A N -0.377 122.353 122.820 -0.151 0.000 2.019 3040 A HA -0.118 4.202 4.320 -0.001 0.000 0.219 3040 A C 2.211 179.747 177.584 -0.080 0.000 1.164 3040 A CA 2.049 54.027 52.037 -0.099 0.000 0.644 3040 A CB -0.815 18.133 19.000 -0.087 0.000 0.805 3040 A HN 0.438 nan 8.150 nan 0.000 0.449 3041 T N -3.376 111.115 114.554 -0.104 0.000 3.069 3041 T HA 0.420 4.770 4.350 -0.001 0.000 0.252 3041 T C 0.970 175.633 174.700 -0.062 0.000 1.053 3041 T CA 0.339 62.392 62.100 -0.078 0.000 0.964 3041 T CB 0.017 68.835 68.868 -0.082 0.000 1.005 3041 T HN 0.389 nan 8.240 nan 0.000 0.532 3042 G N 0.868 109.637 108.800 -0.053 0.000 2.653 3042 G HA2 0.372 4.331 3.960 -0.001 0.000 0.265 3042 G HA3 0.372 4.331 3.960 -0.001 0.000 0.265 3042 G C -0.063 174.890 174.900 0.087 0.000 1.237 3042 G CA -0.792 44.307 45.100 -0.002 0.000 0.946 3042 G HN 0.337 nan 8.290 nan 0.000 0.522 3043 F N -0.588 119.312 119.950 -0.084 0.000 2.861 3043 F HA -0.161 4.365 4.527 -0.001 0.000 0.230 3043 F C 0.829 176.577 175.800 -0.087 0.000 1.020 3043 F CA 0.735 58.686 58.000 -0.082 0.000 0.852 3043 F CB -0.923 38.040 39.000 -0.063 0.000 0.724 3043 F HN 0.854 nan 8.300 nan 0.000 0.843 3044 G N 0.831 109.585 108.800 -0.077 0.000 4.613 3044 G HA2 0.342 4.302 3.960 -0.001 0.000 0.232 3044 G HA3 0.342 4.302 3.960 -0.001 0.000 0.232 3044 G C 0.655 175.440 174.900 -0.192 0.000 0.947 3044 G CA 0.219 45.212 45.100 -0.179 0.000 0.715 3044 G HN 0.680 nan 8.290 nan 0.000 0.518 3045 T N -3.059 111.323 114.554 -0.286 0.000 3.010 3045 T HA 0.390 4.739 4.350 -0.001 0.000 0.252 3045 T C 1.072 175.488 174.700 -0.473 0.000 1.047 3045 T CA 0.789 62.560 62.100 -0.548 0.000 1.140 3045 T CB 0.536 68.836 68.868 -0.945 0.000 0.885 3045 T HN 0.675 nan 8.240 nan 0.000 0.464 3046 S N 0.044 115.570 115.700 -0.290 0.000 2.537 3046 S HA 0.437 4.906 4.470 -0.001 0.000 0.270 3046 S C 0.530 175.055 174.600 -0.126 0.000 1.142 3046 S CA -0.300 57.828 58.200 -0.120 0.000 0.870 3046 S CB 1.865 65.052 63.200 -0.021 0.000 1.112 3046 S HN 0.577 nan 8.310 nan 0.000 0.466 3047 V N 2.773 122.624 119.914 -0.105 0.000 3.510 3047 V HA 0.178 4.297 4.120 -0.001 0.000 0.270 3047 V C 1.598 177.619 176.094 -0.121 0.000 1.201 3047 V CA 0.815 63.028 62.300 -0.146 0.000 1.166 3047 V CB -1.086 30.620 31.823 -0.195 0.000 0.825 3047 V HN 0.728 nan 8.190 nan 0.000 0.484 3048 I N 0.049 120.570 120.570 -0.081 0.000 2.286 3048 I HA -0.002 4.168 4.170 -0.001 0.000 0.248 3048 I C 2.055 178.146 176.117 -0.043 0.000 1.115 3048 I CA 1.911 63.178 61.300 -0.055 0.000 1.392 3048 I CB -0.253 37.736 38.000 -0.017 0.000 1.065 3048 I HN 0.458 nan 8.210 nan 0.000 0.418 3049 M N -1.733 117.837 119.600 -0.051 0.000 2.541 3049 M HA 0.250 4.730 4.480 -0.001 0.000 0.429 3049 M C -0.670 175.575 176.300 -0.092 0.000 1.133 3049 M CA -0.165 55.120 55.300 -0.025 0.000 0.902 3049 M CB 0.347 32.970 32.600 0.038 0.000 1.712 3049 M HN -0.054 nan 8.290 nan 0.000 0.577 3050 C N 1.351 120.510 119.300 -0.234 0.000 2.454 3050 C HA 0.587 5.046 4.460 -0.001 0.000 0.336 3050 C C -0.927 173.795 174.990 -0.447 0.000 1.189 3050 C CA -0.767 57.904 59.018 -0.579 0.000 1.877 3050 C CB 1.796 29.225 27.740 -0.518 0.000 2.348 3050 C HN 0.379 nan 8.230 nan 0.000 0.508 3051 P HA 0.045 nan 4.420 nan 0.000 0.228 3051 P C 0.057 177.295 177.300 -0.104 0.000 1.151 3051 P CA 1.332 64.281 63.100 -0.251 0.000 0.770 3051 P CB 0.364 31.916 31.700 -0.246 0.000 0.786 3052 A N -1.079 121.641 122.820 -0.167 0.000 2.456 3052 A HA 0.448 4.767 4.320 -0.001 0.000 0.294 3052 A C -1.715 175.799 177.584 -0.116 0.000 1.057 3052 A CA -0.716 51.281 52.037 -0.066 0.000 0.623 3052 A CB 0.334 19.334 19.000 0.001 0.000 1.338 3052 A HN -0.090 nan 8.150 nan 0.000 0.464 3053 E N -0.254 119.908 120.200 -0.063 0.000 2.155 3053 E HA 0.615 4.965 4.350 -0.001 0.000 0.264 3053 E C -0.279 176.308 176.600 -0.023 0.000 0.886 3053 E CA -0.256 56.111 56.400 -0.055 0.000 0.752 3053 E CB 1.838 31.527 29.700 -0.018 0.000 1.133 3053 E HN 1.056 nan 8.360 nan 0.000 0.414 3054 A N 2.459 125.260 122.820 -0.033 0.000 2.486 3054 A HA 1.010 5.329 4.320 -0.001 0.000 0.289 3054 A C -0.425 177.156 177.584 -0.004 0.000 1.176 3054 A CA -0.301 51.729 52.037 -0.012 0.000 0.757 3054 A CB 2.090 21.074 19.000 -0.027 0.000 1.337 3054 A HN 0.637 nan 8.150 nan 0.000 0.423 3055 G N -0.893 107.911 108.800 0.008 0.000 2.355 3055 G HA2 0.519 4.478 3.960 -0.001 0.000 0.296 3055 G HA3 0.519 4.478 3.960 -0.001 0.000 0.296 3055 G C -1.819 173.096 174.900 0.025 0.000 1.507 3055 G CA -0.704 44.403 45.100 0.013 0.000 0.823 3055 G HN 0.619 nan 8.290 nan 0.000 0.569 3056 I N 1.510 122.088 120.570 0.012 0.000 2.396 3056 I HA 0.255 4.424 4.170 -0.001 0.000 0.289 3056 I C 1.457 177.632 176.117 0.097 0.000 1.056 3056 I CA -0.061 61.256 61.300 0.027 0.000 1.365 3056 I CB 1.474 39.436 38.000 -0.064 0.000 1.407 3056 I HN 0.831 nan 8.210 nan 0.000 0.509 3057 E N 7.564 127.859 120.200 0.159 0.000 2.011 3057 E HA 0.081 4.430 4.350 -0.001 0.000 0.191 3057 E C 0.212 176.937 176.600 0.208 0.000 0.980 3057 E CA 0.943 57.444 56.400 0.169 0.000 0.814 3057 E CB 0.461 30.268 29.700 0.178 0.000 0.775 3057 E HN 0.611 nan 8.360 nan 0.000 0.454 3058 I N -2.202 118.557 120.570 0.316 0.000 3.093 3058 I HA 0.377 4.546 4.170 -0.001 0.000 0.308 3058 I C -0.888 175.511 176.117 0.469 0.000 1.303 3058 I CA -1.256 60.244 61.300 0.333 0.000 0.975 3058 I CB 1.872 40.013 38.000 0.234 0.000 1.286 3058 I HN -0.169 nan 8.210 nan 0.000 0.459 3059 K N 2.531 123.132 120.400 0.334 0.000 2.295 3059 K HA 0.628 4.947 4.320 -0.001 0.000 0.270 3059 K C -0.636 176.033 176.600 0.115 0.000 1.011 3059 K CA -0.121 56.188 56.287 0.036 0.000 0.953 3059 K CB 1.122 33.527 32.500 -0.157 0.000 0.956 3059 K HN 0.851 nan 8.250 nan 0.000 0.477 3060 A N 4.578 127.421 122.820 0.038 0.000 2.291 3060 A HA 0.313 4.633 4.320 -0.001 0.000 0.311 3060 A C -0.986 176.675 177.584 0.129 0.000 1.224 3060 A CA -0.889 51.222 52.037 0.123 0.000 0.821 3060 A CB 0.581 19.524 19.000 -0.094 0.000 1.172 3060 A HN 0.791 nan 8.150 nan 0.000 0.494 3061 K N 3.131 123.620 120.400 0.149 0.000 2.258 3061 K HA 0.233 4.552 4.320 -0.001 0.000 0.264 3061 K C -1.850 174.783 176.600 0.054 0.000 1.007 3061 K CA -1.489 54.881 56.287 0.139 0.000 0.941 3061 K CB 0.668 33.240 32.500 0.120 0.000 0.966 3061 K HN 0.299 nan 8.250 nan 0.000 0.480 3062 P HA -0.243 nan 4.420 nan 0.000 0.217 3062 P C 0.962 178.258 177.300 -0.006 0.000 1.148 3062 P CA 1.388 64.476 63.100 -0.021 0.000 0.828 3062 P CB 0.126 31.803 31.700 -0.038 0.000 0.783 3063 S N -0.259 115.448 115.700 0.013 0.000 2.469 3063 S HA -0.175 4.294 4.470 -0.001 0.000 0.238 3063 S C 1.302 175.910 174.600 0.013 0.000 0.998 3063 S CA 1.043 59.250 58.200 0.011 0.000 0.957 3063 S CB -1.090 62.122 63.200 0.020 0.000 0.764 3063 S HN 0.430 nan 8.310 nan 0.000 0.514 3064 E N 1.119 121.337 120.200 0.030 0.000 2.558 3064 E HA 0.175 4.525 4.350 -0.001 0.000 0.205 3064 E C 0.027 176.647 176.600 0.033 0.000 1.006 3064 E CA -0.168 56.261 56.400 0.048 0.000 0.961 3064 E CB 0.239 30.002 29.700 0.104 0.000 1.044 3064 E HN 0.528 nan 8.360 nan 0.000 0.465 3065 T N -2.289 112.248 114.554 -0.028 0.000 2.885 3065 T HA 0.342 4.692 4.350 -0.001 0.000 0.285 3065 T C -2.169 172.405 174.700 -0.210 0.000 1.019 3065 T CA -2.361 59.676 62.100 -0.104 0.000 1.010 3065 T CB 1.996 70.816 68.868 -0.080 0.000 1.022 3065 T HN -0.331 nan 8.240 nan 0.000 0.466 3066 P HA -0.090 nan 4.420 nan 0.000 0.217 3066 P C 0.841 177.915 177.300 -0.378 0.000 1.148 3066 P CA 1.170 63.951 63.100 -0.531 0.000 0.828 3066 P CB 0.036 31.089 31.700 -1.078 0.000 0.783 3067 D N -2.768 117.443 120.400 -0.315 0.000 2.369 3067 D HA 0.144 4.784 4.640 -0.001 0.000 0.211 3067 D C 1.248 177.530 176.300 -0.030 0.000 1.077 3067 D CA 0.367 54.328 54.000 -0.066 0.000 0.842 3067 D CB -0.911 39.971 40.800 0.137 0.000 0.947 3067 D HN 0.153 nan 8.370 nan 0.000 0.509 3068 G N 0.623 109.388 108.800 -0.058 0.000 2.176 3068 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.252 3068 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.252 3068 G C 0.065 174.953 174.900 -0.020 0.000 1.024 3068 G CA 0.072 45.151 45.100 -0.035 0.000 0.755 3068 G HN 0.454 nan 8.290 nan 0.000 0.507 3069 R N -0.351 120.146 120.500 -0.005 0.000 2.832 3069 R HA 0.522 4.862 4.340 -0.001 0.000 0.271 3069 R C -2.748 173.522 176.300 -0.050 0.000 0.996 3069 R CA -2.179 53.918 56.100 -0.004 0.000 0.977 3069 R CB 1.497 31.835 30.300 0.064 0.000 1.168 3069 R HN 0.022 nan 8.270 nan 0.000 0.482 3070 P HA 0.174 nan 4.420 nan 0.000 0.271 3070 P C -0.503 176.704 177.300 -0.156 0.000 1.218 3070 P CA 0.013 62.923 63.100 -0.317 0.000 0.780 3070 P CB 0.953 32.193 31.700 -0.767 0.000 0.901 3071 G N 0.489 109.221 108.800 -0.113 0.000 2.634 3071 G HA2 0.606 4.566 3.960 -0.001 0.000 0.309 3071 G HA3 0.606 4.566 3.960 -0.001 0.000 0.309 3071 G C -2.223 172.557 174.900 -0.200 0.000 1.299 3071 G CA -0.381 44.683 45.100 -0.060 0.000 0.798 3071 G HN 0.356 nan 8.290 nan 0.000 0.490 3072 Y N -1.179 119.139 120.300 0.029 0.000 2.513 3072 Y HA 0.539 5.089 4.550 -0.001 0.000 0.340 3072 Y C -1.103 174.750 175.900 -0.078 0.000 1.055 3072 Y CA -0.714 57.410 58.100 0.040 0.000 1.020 3072 Y CB 2.459 40.994 38.460 0.125 0.000 1.301 3072 Y HN 0.525 nan 8.280 nan 0.000 0.453 3073 Y N 4.132 124.612 120.300 0.300 0.000 2.310 3073 Y HA 0.621 5.170 4.550 -0.001 0.000 0.326 3073 Y C 0.310 176.312 175.900 0.171 0.000 1.151 3073 Y CA -0.763 57.457 58.100 0.199 0.000 1.195 3073 Y CB 1.120 39.673 38.460 0.155 0.000 1.210 3073 Y HN 0.393 nan 8.280 nan 0.000 0.483 3074 I N -0.577 120.153 120.570 0.266 0.000 2.934 3074 I HA 0.660 4.830 4.170 -0.001 0.000 0.306 3074 I C -1.421 174.783 176.117 0.146 0.000 1.110 3074 I CA -1.249 60.148 61.300 0.161 0.000 1.019 3074 I CB 2.508 40.558 38.000 0.084 0.000 1.227 3074 I HN 0.466 nan 8.210 nan 0.000 0.434 3075 Q N 3.610 123.471 119.800 0.103 0.000 2.353 3075 Q HA 0.678 5.018 4.340 -0.001 0.000 0.268 3075 Q C -1.382 174.655 176.000 0.062 0.000 1.045 3075 Q CA -0.706 55.151 55.803 0.091 0.000 0.811 3075 Q CB 3.361 32.151 28.738 0.086 0.000 1.305 3075 Q HN 0.586 nan 8.270 nan 0.000 0.447 3076 I N 1.962 122.569 120.570 0.061 0.000 2.436 3076 I HA 0.472 4.642 4.170 -0.001 0.000 0.289 3076 I C -0.819 175.329 176.117 0.052 0.000 1.010 3076 I CA -0.786 60.538 61.300 0.040 0.000 1.098 3076 I CB 1.489 39.506 38.000 0.028 0.000 1.266 3076 I HN 0.637 nan 8.210 nan 0.000 0.434 3077 C N 4.110 123.439 119.300 0.047 0.000 2.634 3077 C HA 0.756 5.216 4.460 -0.001 0.000 0.313 3077 C C -0.349 174.692 174.990 0.085 0.000 1.198 3077 C CA -0.837 58.218 59.018 0.062 0.000 1.605 3077 C CB 1.092 28.862 27.740 0.050 0.000 2.196 3077 C HN 0.801 nan 8.230 nan 0.000 0.486 3078 H N 0.574 119.631 119.070 -0.021 0.000 3.046 3078 H HA 0.389 4.944 4.556 -0.001 0.000 0.361 3078 H C 0.546 175.862 175.328 -0.021 0.000 1.235 3078 H CA -0.717 55.308 56.048 -0.038 0.000 1.146 3078 H CB 1.039 30.765 29.762 -0.060 0.000 1.859 3078 H HN 0.467 nan 8.280 nan 0.000 0.548 3079 M N 0.974 120.359 119.600 -0.357 0.000 2.279 3079 M HA -0.012 4.468 4.480 -0.001 0.000 0.264 3079 M C 0.529 176.864 176.300 0.058 0.000 1.062 3079 M CA 0.953 56.176 55.300 -0.129 0.000 1.099 3079 M CB -1.075 31.395 32.600 -0.215 0.000 1.394 3079 M HN 0.576 nan 8.290 nan 0.000 0.426 3080 S N -1.247 114.615 115.700 0.271 0.000 2.634 3080 S HA 0.451 4.920 4.470 -0.001 0.000 0.296 3080 S C 0.621 175.271 174.600 0.084 0.000 1.104 3080 S CA -0.949 57.356 58.200 0.174 0.000 0.920 3080 S CB 2.561 65.848 63.200 0.144 0.000 1.111 3080 S HN 0.096 nan 8.310 nan 0.000 0.493 3081 K N 0.799 121.193 120.400 -0.009 0.000 2.057 3081 K HA -0.024 4.296 4.320 -0.001 0.000 0.207 3081 K C 1.910 178.406 176.600 -0.172 0.000 1.049 3081 K CA 1.320 57.523 56.287 -0.140 0.000 0.931 3081 K CB -0.214 32.245 32.500 -0.067 0.000 0.714 3081 K HN 0.536 nan 8.250 nan 0.000 0.440 3082 K N -0.036 120.299 120.400 -0.109 0.000 2.057 3082 K HA -0.090 4.230 4.320 -0.001 0.000 0.206 3082 K C 2.309 178.772 176.600 -0.228 0.000 1.050 3082 K CA 1.359 57.570 56.287 -0.127 0.000 0.935 3082 K CB -0.255 32.200 32.500 -0.074 0.000 0.715 3082 K HN 0.264 nan 8.250 nan 0.000 0.439 3083 G N 1.617 110.198 108.800 -0.365 0.000 2.422 3083 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.218 3083 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.218 3083 G C 1.450 175.912 174.900 -0.730 0.000 1.146 3083 G CA 0.493 45.071 45.100 -0.870 0.000 0.769 3083 G HN 0.143 nan 8.290 nan 0.000 0.547 3084 L N 0.673 121.633 121.223 -0.439 0.000 2.005 3084 L HA 0.067 4.406 4.340 -0.001 0.000 0.207 3084 L C 2.609 179.354 176.870 -0.208 0.000 1.072 3084 L CA 2.619 57.321 54.840 -0.230 0.000 0.744 3084 L CB -0.752 41.197 42.059 -0.184 0.000 0.895 3084 L HN 0.414 nan 8.230 nan 0.000 0.433 3085 E N -0.582 119.482 120.200 -0.225 0.000 2.130 3085 E HA -0.330 4.019 4.350 -0.001 0.000 0.196 3085 E C 2.092 178.626 176.600 -0.109 0.000 0.998 3085 E CA 1.705 58.017 56.400 -0.146 0.000 0.806 3085 E CB -0.160 29.467 29.700 -0.122 0.000 0.738 3085 E HN 0.702 nan 8.360 nan 0.000 0.459 3086 E N -0.367 119.743 120.200 -0.151 0.000 2.031 3086 E HA -0.224 4.125 4.350 -0.001 0.000 0.193 3086 E C 2.278 178.812 176.600 -0.112 0.000 0.994 3086 E CA 1.238 57.560 56.400 -0.131 0.000 0.800 3086 E CB 0.115 29.706 29.700 -0.183 0.000 0.752 3086 E HN 0.252 nan 8.360 nan 0.000 0.447 3087 Q N 0.118 119.834 119.800 -0.141 0.000 2.119 3087 Q HA -0.118 4.221 4.340 -0.001 0.000 0.201 3087 Q C 2.435 178.402 176.000 -0.055 0.000 0.972 3087 Q CA 0.808 56.556 55.803 -0.092 0.000 0.847 3087 Q CB -0.145 28.543 28.738 -0.084 0.000 0.903 3087 Q HN 0.401 nan 8.270 nan 0.000 0.433 3088 L N 0.141 121.334 121.223 -0.050 0.000 2.046 3088 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 3088 L C 2.405 179.271 176.870 -0.007 0.000 1.077 3088 L CA 0.905 55.736 54.840 -0.015 0.000 0.747 3088 L CB -0.449 41.608 42.059 -0.003 0.000 0.896 3088 L HN 0.190 nan 8.230 nan 0.000 0.432 3089 L N -0.790 120.425 121.223 -0.013 0.000 2.046 3089 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 3089 L C 2.818 179.679 176.870 -0.014 0.000 1.077 3089 L CA 1.238 56.077 54.840 -0.002 0.000 0.747 3089 L CB -0.712 41.346 42.059 -0.001 0.000 0.896 3089 L HN 0.254 nan 8.230 nan 0.000 0.432 3090 A N 0.079 122.883 122.820 -0.027 0.000 1.872 3090 A HA -0.152 4.167 4.320 -0.001 0.000 0.214 3090 A C 2.382 179.945 177.584 -0.036 0.000 1.187 3090 A CA 1.206 53.225 52.037 -0.030 0.000 0.614 3090 A CB -0.387 18.594 19.000 -0.031 0.000 0.826 3090 A HN 0.279 nan 8.150 nan 0.000 0.442 3091 R N -0.473 120.006 120.500 -0.035 0.000 2.066 3091 R HA 0.039 4.379 4.340 -0.001 0.000 0.232 3091 R C 2.054 178.325 176.300 -0.047 0.000 1.131 3091 R CA 1.397 57.473 56.100 -0.039 0.000 0.955 3091 R CB -0.452 29.827 30.300 -0.035 0.000 0.851 3091 R HN 0.476 nan 8.270 nan 0.000 0.432 3092 L N -0.699 120.507 121.223 -0.029 0.000 2.109 3092 L HA -0.006 4.334 4.340 -0.001 0.000 0.207 3092 L C 2.487 179.320 176.870 -0.062 0.000 1.086 3092 L CA 1.224 56.052 54.840 -0.021 0.000 0.760 3092 L CB -0.620 41.458 42.059 0.032 0.000 0.910 3092 L HN 0.362 nan 8.230 nan 0.000 0.437 3093 G N -1.132 107.632 108.800 -0.059 0.000 2.448 3093 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.218 3093 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.218 3093 G C 1.555 176.357 174.900 -0.163 0.000 1.135 3093 G CA 0.205 45.242 45.100 -0.106 0.000 0.784 3093 G HN 0.259 nan 8.290 nan 0.000 0.543 3094 Q N -0.915 118.813 119.800 -0.120 0.000 2.378 3094 Q HA 0.129 4.468 4.340 -0.001 0.000 0.229 3094 Q C 1.927 177.848 176.000 -0.132 0.000 0.882 3094 Q CA 0.391 56.124 55.803 -0.118 0.000 0.936 3094 Q CB 0.600 29.297 28.738 -0.069 0.000 1.092 3094 Q HN 0.539 nan 8.270 nan 0.000 0.535 3095 C N -1.001 118.220 119.300 -0.131 0.000 3.403 3095 C HA 0.312 4.772 4.460 -0.001 0.000 0.317 3095 C C 2.149 177.044 174.990 -0.158 0.000 1.346 3095 C CA -0.254 58.685 59.018 -0.132 0.000 1.743 3095 C CB 0.261 27.939 27.740 -0.103 0.000 2.308 3095 C HN 0.113 nan 8.230 nan 0.000 0.675 3096 V N 0.411 120.215 119.914 -0.184 0.000 3.090 3096 V HA 0.116 4.235 4.120 -0.001 0.000 0.237 3096 V C 1.903 177.731 176.094 -0.443 0.000 1.209 3096 V CA 0.635 62.818 62.300 -0.196 0.000 1.209 3096 V CB -0.352 31.432 31.823 -0.066 0.000 0.971 3096 V HN 0.469 nan 8.190 nan 0.000 0.477 3097 L N 1.343 122.197 121.223 -0.614 0.000 2.362 3097 L HA -0.099 4.240 4.340 -0.001 0.000 0.219 3097 L C 2.186 178.536 176.870 -0.866 0.000 1.134 3097 L CA 2.057 56.139 54.840 -1.264 0.000 0.807 3097 L CB -0.129 41.433 42.059 -0.829 0.000 0.927 3097 L HN 0.608 nan 8.230 nan 0.000 0.447 3098 T N -3.095 111.146 114.554 -0.520 0.000 3.060 3098 T HA 0.392 4.741 4.350 -0.001 0.000 0.249 3098 T C 0.753 175.286 174.700 -0.279 0.000 1.079 3098 T CA 0.164 62.046 62.100 -0.363 0.000 1.013 3098 T CB -0.013 68.702 68.868 -0.255 0.000 0.975 3098 T HN 0.292 nan 8.240 nan 0.000 0.518 3099 A N 2.616 125.267 122.820 -0.281 0.000 2.310 3099 A HA 0.684 5.003 4.320 -0.001 0.000 0.299 3099 A C -2.628 174.819 177.584 -0.227 0.000 1.147 3099 A CA -1.938 49.984 52.037 -0.193 0.000 0.818 3099 A CB 0.161 19.081 19.000 -0.132 0.000 1.096 3099 A HN 0.196 nan 8.150 nan 0.000 0.495 3100 P HA 0.081 nan 4.420 nan 0.000 0.266 3100 P C 0.840 177.886 177.300 -0.423 0.000 1.195 3100 P CA 1.712 64.561 63.100 -0.420 0.000 0.768 3100 P CB 0.399 31.675 31.700 -0.706 0.000 0.838 3101 T N -1.298 112.998 114.554 -0.430 0.000 8.413 3101 T HA -0.245 4.104 4.350 -0.001 0.000 0.334 3101 T C 0.414 175.067 174.700 -0.077 0.000 1.928 3101 T CA 1.702 63.596 62.100 -0.344 0.000 2.815 3101 T CB -2.856 65.566 68.868 -0.745 0.000 2.611 3101 T HN 0.684 nan 8.240 nan 0.000 1.239 3102 T N -0.492 114.042 114.554 -0.033 0.000 2.813 3102 T HA 0.700 5.049 4.350 -0.001 0.000 0.297 3102 T C 0.125 174.954 174.700 0.215 0.000 1.036 3102 T CA -0.238 61.914 62.100 0.087 0.000 1.044 3102 T CB 1.614 70.521 68.868 0.065 0.000 0.993 3102 T HN 1.786 nan 8.240 nan 0.000 0.535 3103 A N 0.924 123.811 122.820 0.111 0.000 2.520 3103 A HA 0.708 5.027 4.320 -0.001 0.000 0.298 3103 A C -0.411 176.961 177.584 -0.354 0.000 1.051 3103 A CA -0.614 51.314 52.037 -0.182 0.000 0.690 3103 A CB 1.733 20.590 19.000 -0.239 0.000 1.281 3103 A HN 1.921 nan 8.150 nan 0.000 0.402 3104 V N -0.002 119.535 119.914 -0.628 0.000 2.604 3104 V HA 0.979 5.099 4.120 -0.001 0.000 0.305 3104 V C -1.193 174.491 176.094 -0.683 0.000 1.043 3104 V CA -0.800 61.234 62.300 -0.442 0.000 0.888 3104 V CB 0.964 32.727 31.823 -0.100 0.000 0.995 3104 V HN 0.756 nan 8.190 nan 0.000 0.429 3105 F N 2.063 122.023 119.950 0.017 0.000 2.631 3105 F HA 0.541 5.068 4.527 -0.001 0.000 0.328 3105 F C 0.350 176.193 175.800 0.072 0.000 1.067 3105 F CA -0.989 57.029 58.000 0.029 0.000 0.969 3105 F CB 1.520 40.532 39.000 0.021 0.000 1.332 3105 F HN 0.590 nan 8.300 nan 0.000 0.490 3106 N N 0.713 119.592 118.700 0.298 0.000 2.431 3106 N HA 0.099 4.839 4.740 -0.001 0.000 0.265 3106 N C 0.731 176.388 175.510 0.246 0.000 1.184 3106 N CA 0.163 53.343 53.050 0.217 0.000 0.943 3106 N CB 1.392 39.978 38.487 0.165 0.000 1.080 3106 N HN 0.812 nan 8.380 nan 0.000 0.477 3107 G N 2.941 111.899 108.800 0.265 0.000 2.920 3107 G HA2 0.078 4.037 3.960 -0.001 0.000 0.208 3107 G HA3 0.078 4.037 3.960 -0.001 0.000 0.208 3107 G C 0.587 175.597 174.900 0.183 0.000 1.159 3107 G CA 0.074 45.385 45.100 0.352 0.000 0.784 3107 G HN 0.575 nan 8.290 nan 0.000 0.535 3108 L N 1.309 122.612 121.223 0.132 0.000 2.625 3108 L HA 0.226 4.565 4.340 -0.001 0.000 0.255 3108 L C -1.376 175.529 176.870 0.058 0.000 1.493 3108 L CA -1.393 53.487 54.840 0.067 0.000 0.796 3108 L CB 2.026 44.119 42.059 0.057 0.000 1.064 3108 L HN -0.041 nan 8.230 nan 0.000 0.516 3109 P HA -0.213 nan 4.420 nan 0.000 0.218 3109 P C 0.412 177.726 177.300 0.022 0.000 1.154 3109 P CA 1.336 64.465 63.100 0.047 0.000 0.872 3109 P CB 0.534 32.257 31.700 0.039 0.000 0.790 3110 D N -0.567 119.838 120.400 0.009 0.000 2.158 3110 D HA 0.401 5.040 4.640 -0.001 0.000 0.275 3110 D C -0.005 176.286 176.300 -0.015 0.000 1.170 3110 D CA 1.099 55.096 54.000 -0.006 0.000 1.007 3110 D CB -0.440 40.354 40.800 -0.011 0.000 1.144 3110 D HN 0.275 nan 8.370 nan 0.000 0.509 3111 A N -0.125 122.677 122.820 -0.030 0.000 2.431 3111 A HA -0.149 4.171 4.320 -0.001 0.000 0.685 3111 A C 1.193 178.734 177.584 -0.073 0.000 0.140 3111 A CA 0.766 52.768 52.037 -0.059 0.000 0.038 3111 A CB -0.985 17.976 19.000 -0.066 0.000 3.966 3111 A HN 0.573 nan 8.150 nan 0.000 0.547 3112 E N 2.090 122.237 120.200 -0.090 0.000 2.047 3112 E HA -0.158 4.192 4.350 -0.001 0.000 0.191 3112 E C 0.828 177.357 176.600 -0.120 0.000 0.987 3112 E CA 1.480 57.829 56.400 -0.084 0.000 0.799 3112 E CB -0.087 29.570 29.700 -0.070 0.000 0.752 3112 E HN 0.941 nan 8.360 nan 0.000 0.449 3113 E N 1.610 121.669 120.200 -0.234 0.000 2.313 3113 E HA 0.253 4.602 4.350 -0.001 0.000 0.276 3113 E C -0.185 176.184 176.600 -0.385 0.000 1.031 3113 E CA -0.436 55.748 56.400 -0.359 0.000 0.857 3113 E CB 1.056 30.358 29.700 -0.663 0.000 1.040 3113 E HN 0.181 nan 8.360 nan 0.000 0.408 3114 K N 1.954 122.324 120.400 -0.050 0.000 2.579 3114 K HA 0.407 4.727 4.320 -0.001 0.000 0.284 3114 K C -1.468 175.318 176.600 0.311 0.000 0.990 3114 K CA -0.935 55.461 56.287 0.183 0.000 0.880 3114 K CB 1.679 34.237 32.500 0.097 0.000 1.488 3114 K HN 0.341 nan 8.250 nan 0.000 0.425 3115 D N 1.510 122.083 120.400 0.289 0.000 2.198 3115 D HA 0.093 4.733 4.640 -0.001 0.000 0.247 3115 D C -0.698 175.696 176.300 0.157 0.000 1.010 3115 D CA -0.246 53.866 54.000 0.188 0.000 0.880 3115 D CB 1.771 42.639 40.800 0.115 0.000 1.209 3115 D HN 0.637 nan 8.370 nan 0.000 0.451 3116 D N 0.111 120.602 120.400 0.151 0.000 3.060 3116 D HA -0.060 4.579 4.640 -0.001 0.000 0.245 3116 D C 1.368 177.793 176.300 0.208 0.000 1.274 3116 D CA -0.253 53.857 54.000 0.183 0.000 0.864 3116 D CB -0.324 40.586 40.800 0.184 0.000 1.073 3116 D HN 0.275 nan 8.370 nan 0.000 0.473 3117 T N -3.330 111.318 114.554 0.156 0.000 2.803 3117 T HA -0.157 4.193 4.350 -0.001 0.000 0.269 3117 T C 2.043 176.819 174.700 0.127 0.000 1.052 3117 T CA 1.276 63.451 62.100 0.126 0.000 1.136 3117 T CB -0.712 68.213 68.868 0.095 0.000 0.864 3117 T HN 0.261 nan 8.240 nan 0.000 0.467 3118 G N 0.323 109.216 108.800 0.155 0.000 2.404 3118 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.215 3118 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.215 3118 G C 1.242 176.182 174.900 0.067 0.000 1.174 3118 G CA 0.590 45.778 45.100 0.146 0.000 0.780 3118 G HN 0.486 nan 8.290 nan 0.000 0.537 3119 F N 1.774 121.706 119.950 -0.031 0.000 2.161 3119 F HA 0.009 4.536 4.527 -0.001 0.000 0.300 3119 F C 2.621 178.256 175.800 -0.276 0.000 1.089 3119 F CA 1.677 59.520 58.000 -0.262 0.000 1.282 3119 F CB 0.020 39.012 39.000 -0.013 0.000 1.010 3119 F HN 0.055 nan 8.300 nan 0.000 0.485 3120 K N 0.060 120.479 120.400 0.032 0.000 2.031 3120 K HA -0.064 4.256 4.320 -0.001 0.000 0.205 3120 K C 2.115 178.767 176.600 0.087 0.000 1.049 3120 K CA 1.506 57.871 56.287 0.131 0.000 0.939 3120 K CB -0.458 32.144 32.500 0.169 0.000 0.717 3120 K HN 0.318 nan 8.250 nan 0.000 0.438 3121 L N 1.619 122.856 121.223 0.023 0.000 2.191 3121 L HA -0.174 4.165 4.340 -0.001 0.000 0.212 3121 L C 2.162 179.036 176.870 0.005 0.000 1.103 3121 L CA 1.116 55.985 54.840 0.049 0.000 0.769 3121 L CB -0.504 41.599 42.059 0.073 0.000 0.908 3121 L HN 0.198 nan 8.230 nan 0.000 0.438 3122 K N -0.353 119.905 120.400 -0.236 0.000 2.362 3122 K HA -0.139 4.181 4.320 -0.001 0.000 0.200 3122 K C 1.514 177.924 176.600 -0.316 0.000 1.046 3122 K CA 1.380 57.467 56.287 -0.333 0.000 0.952 3122 K CB -0.849 31.204 32.500 -0.745 0.000 0.753 3122 K HN 0.020 nan 8.250 nan 0.000 0.466 3123 F N 0.383 120.175 119.950 -0.263 0.000 2.408 3123 F HA 0.003 4.530 4.527 -0.001 0.000 0.300 3123 F C 1.699 177.461 175.800 -0.062 0.000 1.090 3123 F CA 0.499 58.370 58.000 -0.215 0.000 1.427 3123 F CB -0.565 38.292 39.000 -0.237 0.000 1.070 3123 F HN 0.059 nan 8.300 nan 0.000 0.549 3124 F N 0.689 120.664 119.950 0.041 0.000 2.307 3124 F HA -0.153 4.373 4.527 -0.001 0.000 0.301 3124 F C 2.166 177.989 175.800 0.038 0.000 1.076 3124 F CA 0.984 59.004 58.000 0.034 0.000 1.383 3124 F CB -0.277 38.738 39.000 0.024 0.000 1.055 3124 F HN -0.076 nan 8.300 nan 0.000 0.526 3125 A N -0.376 122.532 122.820 0.147 0.000 2.168 3125 A HA -0.072 4.248 4.320 -0.001 0.000 0.215 3125 A C 0.971 178.616 177.584 0.103 0.000 1.152 3125 A CA 0.974 53.085 52.037 0.123 0.000 0.716 3125 A CB -0.704 18.381 19.000 0.142 0.000 0.794 3125 A HN 0.477 nan 8.150 nan 0.000 0.465 3126 D N -2.833 117.589 120.400 0.036 0.000 2.689 3126 D HA -0.148 4.492 4.640 -0.001 0.000 0.237 3126 D C 1.007 177.335 176.300 0.048 0.000 1.148 3126 D CA 1.888 55.913 54.000 0.042 0.000 0.656 3126 D CB -1.478 39.331 40.800 0.015 0.000 1.050 3126 D HN 1.319 nan 8.370 nan 0.000 0.426 3127 G N -0.940 107.857 108.800 -0.004 0.000 2.234 3127 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.235 3127 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.235 3127 G C 0.732 175.514 174.900 -0.196 0.000 0.997 3127 G CA 0.240 45.267 45.100 -0.123 0.000 0.623 3127 G HN 0.458 nan 8.290 nan 0.000 0.514 3128 Y N 2.562 122.863 120.300 0.002 0.000 2.461 3128 Y HA 0.273 4.822 4.550 -0.001 0.000 0.277 3128 Y C 1.783 177.710 175.900 0.046 0.000 1.182 3128 Y CA 0.619 58.733 58.100 0.023 0.000 1.276 3128 Y CB 0.310 38.782 38.460 0.020 0.000 1.087 3128 Y HN 0.511 nan 8.280 nan 0.000 0.519 3129 Q N 1.661 121.543 119.800 0.136 0.000 2.373 3129 Q HA 0.254 4.593 4.340 -0.001 0.000 0.255 3129 Q C -0.949 175.181 176.000 0.217 0.000 0.980 3129 Q CA 0.076 55.969 55.803 0.149 0.000 0.882 3129 Q CB 1.366 30.112 28.738 0.013 0.000 1.249 3129 Q HN 0.293 nan 8.270 nan 0.000 0.438 3130 K N 1.659 122.223 120.400 0.274 0.000 2.469 3130 K HA 0.355 4.675 4.320 -0.001 0.000 0.254 3130 K C -0.905 175.798 176.600 0.173 0.000 0.939 3130 K CA -0.698 55.720 56.287 0.219 0.000 0.812 3130 K CB 2.213 34.785 32.500 0.120 0.000 1.301 3130 K HN 0.597 nan 8.250 nan 0.000 0.433 3131 E N 1.526 121.702 120.200 -0.039 0.000 2.331 3131 E HA 0.332 4.681 4.350 -0.001 0.000 0.272 3131 E C -0.546 175.939 176.600 -0.192 0.000 1.036 3131 E CA -0.717 55.464 56.400 -0.365 0.000 0.864 3131 E CB 1.395 30.776 29.700 -0.532 0.000 1.035 3131 E HN 0.335 nan 8.360 nan 0.000 0.408 3132 V N -0.803 118.985 119.914 -0.209 0.000 2.969 3132 V HA 0.396 4.516 4.120 -0.001 0.000 0.304 3132 V C -1.001 175.026 176.094 -0.111 0.000 1.192 3132 V CA -1.154 61.081 62.300 -0.109 0.000 0.962 3132 V CB 1.819 33.616 31.823 -0.044 0.000 1.045 3132 V HN 0.804 nan 8.190 nan 0.000 0.428 3133 E N 2.880 123.036 120.200 -0.074 0.000 2.166 3133 E HA 0.779 5.128 4.350 -0.001 0.000 0.275 3133 E C -1.428 175.161 176.600 -0.019 0.000 0.941 3133 E CA -0.967 55.400 56.400 -0.056 0.000 0.784 3133 E CB 2.372 32.033 29.700 -0.065 0.000 1.115 3133 E HN 0.580 nan 8.360 nan 0.000 0.399 3134 V N 2.913 122.833 119.914 0.009 0.000 2.407 3134 V HA 0.466 4.586 4.120 -0.001 0.000 0.291 3134 V C 0.921 176.974 176.094 -0.068 0.000 1.018 3134 V CA -0.071 62.235 62.300 0.010 0.000 0.842 3134 V CB 1.121 33.019 31.823 0.125 0.000 0.996 3134 V HN 1.055 nan 8.190 nan 0.000 0.426 3135 G N 3.584 112.335 108.800 -0.082 0.000 2.283 3135 G HA2 0.039 3.999 3.960 -0.001 0.000 0.280 3135 G HA3 0.039 3.999 3.960 -0.001 0.000 0.280 3135 G C 1.131 175.977 174.900 -0.090 0.000 1.029 3135 G CA 0.705 45.739 45.100 -0.110 0.000 0.840 3135 G HN 2.383 nan 8.290 nan 0.000 0.505 3136 G N -1.894 106.869 108.800 -0.061 0.000 2.143 3136 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.249 3136 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.249 3136 G C 0.280 175.156 174.900 -0.041 0.000 0.981 3136 G CA 0.867 45.938 45.100 -0.048 0.000 0.665 3136 G HN 1.129 nan 8.290 nan 0.000 0.528 3137 R N -0.287 120.192 120.500 -0.035 0.000 2.514 3137 R HA 0.527 4.867 4.340 -0.001 0.000 0.301 3137 R C -0.181 176.115 176.300 -0.006 0.000 0.962 3137 R CA -1.021 55.078 56.100 -0.000 0.000 0.882 3137 R CB 1.345 31.669 30.300 0.039 0.000 1.143 3137 R HN -0.029 nan 8.270 nan 0.000 0.452 3138 K N 3.475 123.858 120.400 -0.028 0.000 2.262 3138 K HA 0.172 4.492 4.320 -0.001 0.000 0.288 3138 K C -0.903 175.618 176.600 -0.132 0.000 1.090 3138 K CA -0.060 56.162 56.287 -0.108 0.000 0.918 3138 K CB -0.053 32.375 32.500 -0.120 0.000 1.139 3138 K HN 0.643 nan 8.250 nan 0.000 0.462 3139 C N 3.056 122.250 119.300 -0.178 0.000 2.710 3139 C HA 0.599 5.058 4.460 -0.001 0.000 0.367 3139 C C -0.665 174.119 174.990 -0.343 0.000 1.315 3139 C CA -0.965 57.960 59.018 -0.155 0.000 1.764 3139 C CB 0.565 28.291 27.740 -0.024 0.000 2.182 3139 C HN 0.836 nan 8.230 nan 0.000 0.491 3140 W N -0.042 121.214 121.300 -0.074 0.000 2.819 3140 W HA 0.616 5.276 4.660 -0.001 0.000 0.337 3140 W C -0.344 176.113 176.519 -0.104 0.000 1.077 3140 W CA -0.324 56.977 57.345 -0.072 0.000 1.226 3140 W CB 1.326 30.739 29.460 -0.079 0.000 1.419 3140 W HN 0.836 nan 8.180 nan 0.000 0.502 3141 A N 2.176 125.116 122.820 0.200 0.000 2.271 3141 A HA 0.727 5.047 4.320 -0.001 0.000 0.317 3141 A C -1.220 176.459 177.584 0.158 0.000 1.245 3141 A CA -0.631 51.474 52.037 0.114 0.000 0.857 3141 A CB 0.590 19.644 19.000 0.091 0.000 1.175 3141 A HN 0.451 nan 8.150 nan 0.000 0.512 3142 V N 5.419 125.425 119.914 0.154 0.000 2.313 3142 V HA 0.278 4.398 4.120 -0.001 0.000 0.278 3142 V C -2.437 173.778 176.094 0.202 0.000 1.017 3142 V CA -1.647 60.776 62.300 0.204 0.000 0.823 3142 V CB 1.178 33.165 31.823 0.273 0.000 1.010 3142 V HN 0.730 nan 8.190 nan 0.000 0.443 3143 P HA 0.333 nan 4.420 nan 0.000 0.271 3143 P C -0.279 177.092 177.300 0.118 0.000 1.220 3143 P CA 0.159 63.325 63.100 0.109 0.000 0.768 3143 P CB 0.546 32.281 31.700 0.059 0.000 0.848 3144 M N 0.695 120.347 119.600 0.086 0.000 3.385 3144 M HA 0.444 4.923 4.480 -0.001 0.000 0.286 3144 M C 0.553 176.868 176.300 0.025 0.000 1.381 3144 M CA -0.882 54.470 55.300 0.086 0.000 0.813 3144 M CB 0.915 33.579 32.600 0.107 0.000 1.731 3144 M HN -0.056 nan 8.290 nan 0.000 0.460 3145 M N 0.673 120.279 119.600 0.011 0.000 2.082 3145 M HA -0.188 4.291 4.480 -0.001 0.000 0.258 3145 M C 1.990 178.275 176.300 -0.025 0.000 1.069 3145 M CA 2.861 58.153 55.300 -0.014 0.000 1.102 3145 M CB -0.730 31.857 32.600 -0.022 0.000 1.336 3145 M HN 0.882 nan 8.290 nan 0.000 0.404 3146 E N -0.121 120.055 120.200 -0.041 0.000 2.274 3146 E HA 0.102 4.451 4.350 -0.001 0.000 0.194 3146 E C 1.108 177.697 176.600 -0.019 0.000 0.996 3146 E CA 0.923 57.291 56.400 -0.053 0.000 0.840 3146 E CB 0.234 29.873 29.700 -0.102 0.000 0.772 3146 E HN 0.508 nan 8.360 nan 0.000 0.491 3147 G N 0.282 109.084 108.800 0.004 0.000 2.384 3147 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.150 3147 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.150 3147 G C -1.743 173.191 174.900 0.057 0.000 1.269 3147 G CA -0.228 44.889 45.100 0.028 0.000 1.094 3147 G HN 0.121 nan 8.290 nan 0.000 0.467 3148 D N 0.655 121.101 120.400 0.076 0.000 2.303 3148 D HA 0.564 5.203 4.640 -0.001 0.000 0.236 3148 D C -0.974 175.419 176.300 0.154 0.000 1.068 3148 D CA -0.160 53.904 54.000 0.108 0.000 0.830 3148 D CB 1.662 42.513 40.800 0.085 0.000 1.109 3148 D HN 0.271 nan 8.370 nan 0.000 0.496 3149 F N 3.138 123.085 119.950 -0.005 0.000 2.424 3149 F HA 0.379 4.905 4.527 -0.001 0.000 0.356 3149 F C -0.406 175.380 175.800 -0.024 0.000 1.110 3149 F CA -0.896 57.080 58.000 -0.040 0.000 1.161 3149 F CB 0.243 39.199 39.000 -0.073 0.000 1.115 3149 F HN 0.216 nan 8.300 nan 0.000 0.507 3150 I N 8.335 128.622 120.570 -0.471 0.000 2.315 3150 I HA 0.360 4.529 4.170 -0.001 0.000 0.291 3150 I C -0.452 175.129 176.117 -0.892 0.000 1.006 3150 I CA -0.579 60.418 61.300 -0.505 0.000 1.265 3150 I CB 0.928 38.786 38.000 -0.237 0.000 1.387 3150 I HN 0.487 nan 8.210 nan 0.000 0.475 3151 I N 2.306 122.499 120.570 -0.628 0.000 2.619 3151 I HA 0.529 4.699 4.170 -0.001 0.000 0.292 3151 I C -0.484 175.546 176.117 -0.145 0.000 1.100 3151 I CA -0.877 60.112 61.300 -0.517 0.000 1.043 3151 I CB 1.953 39.666 38.000 -0.477 0.000 1.239 3151 I HN 0.504 nan 8.210 nan 0.000 0.420 3152 E N 4.171 124.320 120.200 -0.085 0.000 2.404 3152 E HA 0.033 4.382 4.350 -0.001 0.000 0.261 3152 E C 0.489 177.185 176.600 0.160 0.000 1.074 3152 E CA -0.148 56.304 56.400 0.086 0.000 0.917 3152 E CB 0.844 30.644 29.700 0.167 0.000 0.965 3152 E HN 0.786 nan 8.360 nan 0.000 0.433 3153 N N 2.532 121.353 118.700 0.202 0.000 2.120 3153 N HA -0.124 4.615 4.740 -0.001 0.000 0.188 3153 N C -0.461 175.187 175.510 0.230 0.000 1.024 3153 N CA 1.154 54.397 53.050 0.322 0.000 0.852 3153 N CB 0.264 38.923 38.487 0.287 0.000 1.003 3153 N HN 0.485 nan 8.380 nan 0.000 0.424 3154 D N -0.248 120.249 120.400 0.162 0.000 2.419 3154 D HA 0.424 5.063 4.640 -0.001 0.000 0.234 3154 D C -0.463 175.920 176.300 0.138 0.000 1.014 3154 D CA -0.402 53.684 54.000 0.143 0.000 0.919 3154 D CB 2.518 43.386 40.800 0.114 0.000 1.366 3154 D HN 0.012 nan 8.370 nan 0.000 0.490 3155 I N 0.774 121.433 120.570 0.147 0.000 2.466 3155 I HA 0.321 4.490 4.170 -0.001 0.000 0.289 3155 I C 0.617 176.843 176.117 0.182 0.000 1.026 3155 I CA -0.704 60.689 61.300 0.155 0.000 1.078 3155 I CB 2.145 40.233 38.000 0.147 0.000 1.249 3155 I HN 0.276 nan 8.210 nan 0.000 0.429 3156 G N 4.952 113.844 108.800 0.153 0.000 2.507 3156 G HA2 0.492 4.452 3.960 -0.001 0.000 0.271 3156 G HA3 0.492 4.452 3.960 -0.001 0.000 0.271 3156 G C -1.303 173.717 174.900 0.201 0.000 1.189 3156 G CA -0.060 45.113 45.100 0.122 0.000 0.859 3156 G HN 0.648 nan 8.290 nan 0.000 0.542 3157 Y N -1.718 118.612 120.300 0.051 0.000 2.588 3157 Y HA 0.823 5.373 4.550 -0.001 0.000 0.343 3157 Y C -0.359 175.566 175.900 0.043 0.000 1.065 3157 Y CA -1.183 56.947 58.100 0.050 0.000 1.038 3157 Y CB 1.759 40.249 38.460 0.051 0.000 1.297 3157 Y HN 0.738 nan 8.280 nan 0.000 0.467 3158 T N 0.591 115.247 114.554 0.170 0.000 2.787 3158 T HA 0.383 4.732 4.350 -0.001 0.000 0.297 3158 T C -1.732 173.053 174.700 0.141 0.000 1.221 3158 T CA -0.978 61.163 62.100 0.067 0.000 1.006 3158 T CB 1.244 70.125 68.868 0.021 0.000 1.328 3158 T HN 0.714 nan 8.240 nan 0.000 0.509 3159 N N 1.281 120.039 118.700 0.096 0.000 2.415 3159 N HA 0.506 5.245 4.740 -0.001 0.000 0.250 3159 N C 0.380 175.932 175.510 0.070 0.000 1.127 3159 N CA 0.257 53.370 53.050 0.105 0.000 0.945 3159 N CB 0.951 39.498 38.487 0.099 0.000 1.196 3159 N HN 0.732 nan 8.380 nan 0.000 0.499 3160 G N 1.142 109.982 108.800 0.066 0.000 2.736 3160 G HA2 0.741 4.701 3.960 -0.001 0.000 0.229 3160 G HA3 0.741 4.701 3.960 -0.001 0.000 0.229 3160 G C -0.551 174.334 174.900 -0.025 0.000 1.380 3160 G CA -0.426 44.685 45.100 0.019 0.000 1.040 3160 G HN 0.420 nan 8.290 nan 0.000 0.568 3161 I N -0.056 120.481 120.570 -0.054 0.000 2.619 3161 I HA 0.582 4.751 4.170 -0.001 0.000 0.292 3161 I C -0.266 175.858 176.117 0.011 0.000 1.100 3161 I CA -0.859 60.386 61.300 -0.091 0.000 1.043 3161 I CB 2.404 40.239 38.000 -0.275 0.000 1.239 3161 I HN 0.592 nan 8.210 nan 0.000 0.420 3162 A N 3.403 126.271 122.820 0.081 0.000 2.365 3162 A HA 0.818 5.138 4.320 -0.001 0.000 0.318 3162 A C 0.433 178.126 177.584 0.182 0.000 1.091 3162 A CA 0.110 52.222 52.037 0.125 0.000 0.763 3162 A CB 1.488 20.568 19.000 0.133 0.000 1.248 3162 A HN 1.229 nan 8.150 nan 0.000 0.442 3163 G N 0.916 109.818 108.800 0.169 0.000 2.168 3163 G HA2 0.130 4.089 3.960 -0.001 0.000 0.197 3163 G HA3 0.130 4.089 3.960 -0.001 0.000 0.197 3163 G C 0.765 175.735 174.900 0.117 0.000 0.997 3163 G CA 0.201 45.414 45.100 0.190 0.000 0.658 3163 G HN 1.876 nan 8.290 nan 0.000 0.513 3164 G N 0.200 109.054 108.800 0.090 0.000 2.544 3164 G HA2 0.599 4.559 3.960 -0.001 0.000 0.242 3164 G HA3 0.599 4.559 3.960 -0.001 0.000 0.242 3164 G C 0.003 174.962 174.900 0.098 0.000 1.247 3164 G CA 0.801 45.950 45.100 0.082 0.000 0.840 3164 G HN 1.744 nan 8.290 nan 0.000 0.578 3165 N N -1.286 117.482 118.700 0.113 0.000 3.355 3165 N HA 0.657 5.397 4.740 -0.001 0.000 0.238 3165 N C -1.076 174.561 175.510 0.212 0.000 1.466 3165 N CA -0.981 52.138 53.050 0.116 0.000 0.882 3165 N CB 1.104 39.638 38.487 0.078 0.000 1.406 3165 N HN 0.877 nan 8.380 nan 0.000 0.500 3166 F N -2.428 117.560 119.950 0.064 0.000 2.678 3166 F HA 0.706 5.232 4.527 -0.001 0.000 0.308 3166 F C -1.906 174.069 175.800 0.292 0.000 1.118 3166 F CA -1.377 56.638 58.000 0.025 0.000 0.959 3166 F CB 1.165 40.189 39.000 0.040 0.000 1.305 3166 F HN 0.380 nan 8.300 nan 0.000 0.443 3167 F N 2.370 122.366 119.950 0.077 0.000 2.458 3167 F HA 0.702 5.229 4.527 -0.001 0.000 0.330 3167 F C -0.224 175.651 175.800 0.124 0.000 1.082 3167 F CA -1.296 56.685 58.000 -0.031 0.000 0.995 3167 F CB 2.199 41.132 39.000 -0.113 0.000 1.170 3167 F HN 0.305 nan 8.300 nan 0.000 0.478 3168 I N 3.499 124.234 120.570 0.275 0.000 2.382 3168 I HA 0.319 4.489 4.170 -0.001 0.000 0.286 3168 I C -0.617 175.609 176.117 0.181 0.000 1.002 3168 I CA -0.366 61.081 61.300 0.244 0.000 1.135 3168 I CB 1.723 39.863 38.000 0.234 0.000 1.288 3168 I HN 0.470 nan 8.210 nan 0.000 0.448 3169 M N 5.713 125.408 119.600 0.158 0.000 2.205 3169 M HA 0.736 5.215 4.480 -0.001 0.000 0.344 3169 M C -0.348 176.007 176.300 0.091 0.000 1.085 3169 M CA -0.341 55.028 55.300 0.116 0.000 1.001 3169 M CB 2.052 34.723 32.600 0.119 0.000 1.626 3169 M HN 0.692 nan 8.290 nan 0.000 0.442 3170 A N 2.408 125.273 122.820 0.076 0.000 2.532 3170 A HA 0.532 4.851 4.320 -0.001 0.000 0.290 3170 A C 0.145 177.756 177.584 0.045 0.000 1.143 3170 A CA -0.631 51.445 52.037 0.066 0.000 0.728 3170 A CB 1.250 20.302 19.000 0.086 0.000 1.317 3170 A HN 0.899 nan 8.150 nan 0.000 0.414 3171 E N -0.346 119.876 120.200 0.038 0.000 2.274 3171 E HA 0.012 4.362 4.350 -0.001 0.000 0.194 3171 E C 0.496 177.112 176.600 0.026 0.000 0.996 3171 E CA 1.414 57.830 56.400 0.026 0.000 0.840 3171 E CB 0.052 29.765 29.700 0.022 0.000 0.772 3171 E HN 0.775 nan 8.360 nan 0.000 0.491 3172 T N -3.944 110.633 114.554 0.038 0.000 2.864 3172 T HA 0.160 4.510 4.350 -0.001 0.000 0.299 3172 T C 0.507 175.247 174.700 0.066 0.000 1.166 3172 T CA -0.880 61.244 62.100 0.040 0.000 1.007 3172 T CB 2.090 70.980 68.868 0.036 0.000 1.219 3172 T HN -0.155 nan 8.240 nan 0.000 0.506 3173 Q N 0.288 120.132 119.800 0.072 0.000 2.020 3173 Q HA -0.008 4.331 4.340 -0.001 0.000 0.202 3173 Q C -0.889 175.215 176.000 0.173 0.000 0.982 3173 Q CA 1.837 57.720 55.803 0.134 0.000 0.838 3173 Q CB -1.179 27.626 28.738 0.112 0.000 0.899 3173 Q HN 0.584 nan 8.270 nan 0.000 0.423 3174 P HA -0.100 nan 4.420 nan 0.000 0.218 3174 P C 1.070 178.404 177.300 0.057 0.000 1.148 3174 P CA 1.370 64.509 63.100 0.065 0.000 0.822 3174 P CB 0.037 31.762 31.700 0.041 0.000 0.784 3175 S N -0.774 114.967 115.700 0.068 0.000 2.368 3175 S HA -0.096 4.374 4.470 -0.001 0.000 0.224 3175 S C 2.023 176.675 174.600 0.086 0.000 1.029 3175 S CA 1.284 59.521 58.200 0.061 0.000 0.988 3175 S CB -0.940 62.293 63.200 0.056 0.000 0.838 3175 S HN 0.127 nan 8.310 nan 0.000 0.462 3176 A N 1.071 123.980 122.820 0.147 0.000 1.930 3176 A HA -0.007 4.313 4.320 -0.001 0.000 0.217 3176 A C 2.075 179.751 177.584 0.154 0.000 1.175 3176 A CA 1.152 53.330 52.037 0.235 0.000 0.627 3176 A CB -0.606 18.611 19.000 0.362 0.000 0.815 3176 A HN 0.420 nan 8.150 nan 0.000 0.443 3177 L N -0.298 120.933 121.223 0.013 0.000 2.056 3177 L HA 0.015 4.354 4.340 -0.001 0.000 0.207 3177 L C 2.659 179.419 176.870 -0.185 0.000 1.078 3177 L CA 2.000 56.615 54.840 -0.374 0.000 0.749 3177 L CB -0.835 41.035 42.059 -0.316 0.000 0.901 3177 L HN 0.335 nan 8.230 nan 0.000 0.433 3178 A N -0.479 122.302 122.820 -0.064 0.000 1.902 3178 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 3178 A C 2.442 180.019 177.584 -0.012 0.000 1.181 3178 A CA 1.837 53.855 52.037 -0.032 0.000 0.623 3178 A CB -1.143 17.855 19.000 -0.003 0.000 0.818 3178 A HN 0.543 nan 8.150 nan 0.000 0.443 3179 A N -0.279 122.551 122.820 0.016 0.000 1.930 3179 A HA 0.201 4.520 4.320 -0.001 0.000 0.217 3179 A C 2.480 180.100 177.584 0.061 0.000 1.175 3179 A CA 1.959 54.029 52.037 0.055 0.000 0.627 3179 A CB -0.922 18.132 19.000 0.090 0.000 0.815 3179 A HN 1.015 nan 8.150 nan 0.000 0.443 3180 A N 0.022 122.841 122.820 -0.000 0.000 1.877 3180 A HA -0.143 4.176 4.320 -0.001 0.000 0.216 3180 A C 2.073 179.635 177.584 -0.037 0.000 1.186 3180 A CA 2.316 54.330 52.037 -0.039 0.000 0.620 3180 A CB -0.404 18.482 19.000 -0.190 0.000 0.822 3180 A HN 0.423 nan 8.150 nan 0.000 0.443 3181 K N 0.460 120.819 120.400 -0.067 0.000 2.097 3181 K HA 0.021 4.340 4.320 -0.001 0.000 0.206 3181 K C 1.913 178.518 176.600 0.007 0.000 1.049 3181 K CA 1.709 57.973 56.287 -0.039 0.000 0.933 3181 K CB -0.668 31.799 32.500 -0.054 0.000 0.717 3181 K HN 0.317 nan 8.250 nan 0.000 0.442 3182 A N 0.483 123.317 122.820 0.023 0.000 1.902 3182 A HA -0.016 4.304 4.320 -0.001 0.000 0.217 3182 A C 2.379 180.009 177.584 0.076 0.000 1.181 3182 A CA 1.974 54.038 52.037 0.044 0.000 0.623 3182 A CB -1.018 18.010 19.000 0.046 0.000 0.818 3182 A HN 0.419 nan 8.150 nan 0.000 0.443 3183 A N -0.494 122.396 122.820 0.117 0.000 1.902 3183 A HA -0.002 4.317 4.320 -0.001 0.000 0.217 3183 A C 2.221 179.893 177.584 0.148 0.000 1.181 3183 A CA 1.784 53.938 52.037 0.195 0.000 0.623 3183 A CB -0.960 18.263 19.000 0.371 0.000 0.818 3183 A HN 0.399 nan 8.150 nan 0.000 0.443 3184 V N 0.603 120.573 119.914 0.092 0.000 2.343 3184 V HA -0.266 3.853 4.120 -0.001 0.000 0.247 3184 V C 2.207 178.342 176.094 0.068 0.000 1.051 3184 V CA 2.406 64.749 62.300 0.071 0.000 1.036 3184 V CB -0.919 30.927 31.823 0.039 0.000 0.654 3184 V HN 0.487 nan 8.190 nan 0.000 0.451 3185 D N 0.454 120.886 120.400 0.054 0.000 2.097 3185 D HA -0.120 4.520 4.640 -0.001 0.000 0.195 3185 D C 2.234 178.567 176.300 0.054 0.000 0.989 3185 D CA 1.721 55.749 54.000 0.046 0.000 0.827 3185 D CB -0.458 40.361 40.800 0.031 0.000 0.966 3185 D HN 0.414 nan 8.370 nan 0.000 0.456 3186 A N 0.437 123.295 122.820 0.063 0.000 1.902 3186 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 3186 A C 2.304 179.930 177.584 0.070 0.000 1.181 3186 A CA 0.965 53.040 52.037 0.062 0.000 0.623 3186 A CB -0.745 18.295 19.000 0.067 0.000 0.818 3186 A HN 0.244 nan 8.150 nan 0.000 0.443 3187 I N 0.905 121.529 120.570 0.090 0.000 2.614 3187 I HA -0.199 3.970 4.170 -0.001 0.000 0.258 3187 I C 2.634 178.800 176.117 0.082 0.000 1.189 3187 I CA 1.192 62.548 61.300 0.094 0.000 1.462 3187 I CB -0.173 37.902 38.000 0.125 0.000 1.092 3187 I HN 0.508 nan 8.210 nan 0.000 0.442 3188 S N -0.079 115.668 115.700 0.077 0.000 2.419 3188 S HA -0.178 4.292 4.470 -0.001 0.000 0.233 3188 S C 1.423 176.071 174.600 0.081 0.000 1.016 3188 S CA 1.119 59.368 58.200 0.081 0.000 0.974 3188 S CB -0.319 62.925 63.200 0.074 0.000 0.786 3188 S HN 0.419 nan 8.310 nan 0.000 0.492 3189 D N 1.114 121.554 120.400 0.065 0.000 2.349 3189 D HA 0.156 4.795 4.640 -0.001 0.000 0.215 3189 D C 0.000 176.331 176.300 0.052 0.000 1.016 3189 D CA 0.209 54.243 54.000 0.057 0.000 0.870 3189 D CB 0.225 41.051 40.800 0.043 0.000 0.917 3189 D HN 0.292 nan 8.370 nan 0.000 0.524 3190 V N 1.826 121.772 119.914 0.054 0.000 2.455 3190 V HA 0.043 4.162 4.120 -0.001 0.000 0.273 3190 V C 0.617 176.737 176.094 0.042 0.000 1.045 3190 V CA -0.509 61.816 62.300 0.042 0.000 0.976 3190 V CB 1.377 33.226 31.823 0.043 0.000 0.993 3190 V HN -0.013 nan 8.190 nan 0.000 0.475 3191 E N 3.423 123.638 120.200 0.025 0.000 2.366 3191 E HA 0.430 4.779 4.350 -0.001 0.000 0.266 3191 E C 1.173 177.775 176.600 0.004 0.000 1.051 3191 E CA 0.641 57.047 56.400 0.011 0.000 0.884 3191 E CB 0.780 30.471 29.700 -0.014 0.000 1.006 3191 E HN 0.991 nan 8.360 nan 0.000 0.417 3192 G N 1.834 110.633 108.800 -0.002 0.000 2.148 3192 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.254 3192 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.254 3192 G C -0.218 174.697 174.900 0.026 0.000 0.981 3192 G CA 0.225 45.326 45.100 0.002 0.000 0.670 3192 G HN 0.459 nan 8.290 nan 0.000 0.528 3193 V N 1.031 120.972 119.914 0.044 0.000 3.040 3193 V HA 0.881 5.000 4.120 -0.001 0.000 0.312 3193 V C 0.169 176.308 176.094 0.074 0.000 1.115 3193 V CA -0.340 61.995 62.300 0.057 0.000 0.998 3193 V CB 2.294 34.152 31.823 0.058 0.000 1.042 3193 V HN 0.859 nan 8.190 nan 0.000 0.433 3194 I N 0.095 120.712 120.570 0.078 0.000 3.006 3194 I HA 0.777 4.946 4.170 -0.001 0.000 0.306 3194 I C -0.597 175.575 176.117 0.092 0.000 1.250 3194 I CA -0.605 60.745 61.300 0.084 0.000 0.996 3194 I CB 2.732 40.779 38.000 0.078 0.000 1.261 3194 I HN 0.611 nan 8.210 nan 0.000 0.442 3195 T N 0.394 115.005 114.554 0.096 0.000 3.060 3195 T HA 0.458 4.807 4.350 -0.001 0.000 0.367 3195 T C -2.234 172.545 174.700 0.133 0.000 1.229 3195 T CA -1.680 60.487 62.100 0.113 0.000 1.104 3195 T CB 0.805 69.730 68.868 0.095 0.000 1.083 3195 T HN 0.473 nan 8.240 nan 0.000 0.524 3196 P HA -0.030 nan 4.420 nan 0.000 0.217 3196 P C 0.202 177.548 177.300 0.078 0.000 1.148 3196 P CA 0.657 63.827 63.100 0.117 0.000 0.828 3196 P CB -0.043 31.735 31.700 0.131 0.000 0.783 3197 F N 0.424 120.383 119.950 0.015 0.000 2.435 3197 F HA 0.187 4.713 4.527 -0.001 0.000 0.316 3197 F C -1.416 174.395 175.800 0.019 0.000 1.220 3197 F CA -2.437 55.573 58.000 0.016 0.000 1.241 3197 F CB -0.933 38.072 39.000 0.008 0.000 1.234 3197 F HN -0.169 nan 8.300 nan 0.000 0.569 3198 P HA 0.074 nan 4.420 nan 0.000 0.261 3198 P C 0.452 177.808 177.300 0.094 0.000 1.203 3198 P CA 0.886 64.036 63.100 0.084 0.000 0.767 3198 P CB 0.259 32.002 31.700 0.073 0.000 0.785 3199 G N 3.498 112.341 108.800 0.071 0.000 2.166 3199 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.260 3199 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.260 3199 G C 0.863 175.798 174.900 0.059 0.000 0.986 3199 G CA 0.475 45.608 45.100 0.055 0.000 0.683 3199 G HN 1.022 nan 8.290 nan 0.000 0.527 3200 G N -1.328 107.529 108.800 0.094 0.000 2.148 3200 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.254 3200 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.254 3200 G C 0.247 175.198 174.900 0.084 0.000 0.981 3200 G CA 0.666 45.828 45.100 0.104 0.000 0.670 3200 G HN 1.437 nan 8.290 nan 0.000 0.528 3201 I N 0.293 120.918 120.570 0.092 0.000 2.509 3201 I HA 0.471 4.641 4.170 -0.001 0.000 0.293 3201 I C 0.114 176.278 176.117 0.078 0.000 1.020 3201 I CA -1.293 60.022 61.300 0.024 0.000 1.088 3201 I CB 2.262 40.228 38.000 -0.056 0.000 1.267 3201 I HN -0.153 nan 8.210 nan 0.000 0.430 3202 V N 5.313 125.173 119.914 -0.089 0.000 2.364 3202 V HA 0.317 4.437 4.120 -0.001 0.000 0.272 3202 V C 0.879 176.969 176.094 -0.007 0.000 1.036 3202 V CA -0.083 62.088 62.300 -0.215 0.000 0.880 3202 V CB 1.130 32.566 31.823 -0.645 0.000 0.991 3202 V HN 0.978 nan 8.190 nan 0.000 0.460 3203 A N 3.427 126.305 122.820 0.096 0.000 2.252 3203 A HA 0.134 4.453 4.320 -0.001 0.000 0.213 3203 A C 1.938 179.476 177.584 -0.077 0.000 1.188 3203 A CA 0.878 52.977 52.037 0.104 0.000 0.863 3203 A CB 0.142 19.286 19.000 0.240 0.000 0.893 3203 A HN 0.802 nan 8.150 nan 0.000 0.495 3204 S N -0.969 114.694 115.700 -0.061 0.000 2.432 3204 S HA 0.506 4.975 4.470 -0.001 0.000 0.203 3204 S C 1.136 175.648 174.600 -0.148 0.000 0.987 3204 S CA 0.634 58.791 58.200 -0.071 0.000 0.908 3204 S CB -0.898 62.312 63.200 0.017 0.000 0.883 3204 S HN 1.991 nan 8.310 nan 0.000 0.577 3205 G N 0.821 109.518 108.800 -0.172 0.000 2.785 3205 G HA2 0.254 4.214 3.960 -0.001 0.000 0.686 3205 G HA3 0.254 4.214 3.960 -0.001 0.000 0.686 3205 G C -0.464 174.383 174.900 -0.087 0.000 1.155 3205 G CA -0.400 44.562 45.100 -0.230 0.000 0.760 3205 G HN 1.589 nan 8.290 nan 0.000 0.624 3206 S N 0.516 116.196 115.700 -0.033 0.000 2.627 3206 S HA 0.924 5.393 4.470 -0.001 0.000 0.283 3206 S C -0.128 174.540 174.600 0.114 0.000 1.127 3206 S CA 0.047 58.277 58.200 0.050 0.000 0.863 3206 S CB 2.753 66.001 63.200 0.079 0.000 1.121 3206 S HN 1.582 nan 8.310 nan 0.000 0.479 3207 K N -0.174 120.305 120.400 0.131 0.000 2.082 3207 K HA 0.719 5.039 4.320 -0.001 0.000 0.242 3207 K C 0.701 177.418 176.600 0.196 0.000 1.070 3207 K CA -0.844 55.559 56.287 0.194 0.000 0.892 3207 K CB -0.307 32.274 32.500 0.135 0.000 1.417 3207 K HN 0.242 nan 8.250 nan 0.000 0.541 3208 V N -0.066 119.961 119.914 0.190 0.000 2.294 3208 V HA -0.297 3.822 4.120 -0.001 0.000 0.232 3208 V C 1.817 177.943 176.094 0.053 0.000 0.982 3208 V CA 2.442 64.816 62.300 0.124 0.000 1.014 3208 V CB -1.329 30.551 31.823 0.096 0.000 0.667 3208 V HN 1.042 nan 8.190 nan 0.000 0.497 3209 G N -2.025 106.792 108.800 0.028 0.000 2.482 3209 G HA2 0.646 4.606 3.960 -0.001 0.000 0.184 3209 G HA3 0.646 4.606 3.960 -0.001 0.000 0.184 3209 G C -0.171 174.715 174.900 -0.023 0.000 1.331 3209 G CA 0.776 45.874 45.100 -0.004 0.000 0.668 3209 G HN 1.444 nan 8.290 nan 0.000 0.631 3210 A N -0.882 121.916 122.820 -0.037 0.000 2.586 3210 A HA 0.530 4.849 4.320 -0.001 0.000 0.298 3210 A C -0.028 177.500 177.584 -0.093 0.000 1.013 3210 A CA -0.233 51.759 52.037 -0.075 0.000 0.707 3210 A CB 0.134 19.067 19.000 -0.112 0.000 1.276 3210 A HN 0.063 nan 8.150 nan 0.000 0.414 3211 N N 0.535 119.157 118.700 -0.130 0.000 2.132 3211 N HA -0.051 4.688 4.740 -0.001 0.000 0.187 3211 N C 1.252 176.653 175.510 -0.182 0.000 1.038 3211 N CA 1.623 54.596 53.050 -0.128 0.000 0.846 3211 N CB -0.034 38.379 38.487 -0.123 0.000 1.012 3211 N HN 0.708 nan 8.380 nan 0.000 0.429 3212 K N -0.162 120.024 120.400 -0.356 0.000 2.211 3212 K HA 0.064 4.383 4.320 -0.001 0.000 0.201 3212 K C 0.013 176.395 176.600 -0.362 0.000 1.052 3212 K CA 0.497 56.515 56.287 -0.448 0.000 0.973 3212 K CB 0.235 32.293 32.500 -0.737 0.000 0.766 3212 K HN 0.243 nan 8.250 nan 0.000 0.466 3213 Y N 1.155 121.379 120.300 -0.126 0.000 2.854 3213 Y HA 0.257 4.806 4.550 -0.001 0.000 0.330 3213 Y C 0.455 176.106 175.900 -0.416 0.000 1.037 3213 Y CA -0.798 57.094 58.100 -0.347 0.000 1.263 3213 Y CB 0.831 38.831 38.460 -0.766 0.000 1.120 3213 Y HN -0.210 nan 8.280 nan 0.000 0.532 3214 K N 1.713 122.108 120.400 -0.008 0.000 2.555 3214 K HA -0.039 4.280 4.320 -0.001 0.000 0.193 3214 K C 0.480 177.109 176.600 0.048 0.000 1.032 3214 K CA 0.552 56.843 56.287 0.006 0.000 1.004 3214 K CB -0.130 32.408 32.500 0.063 0.000 0.804 3214 K HN 0.712 nan 8.250 nan 0.000 0.496 3215 F N -0.786 119.220 119.950 0.094 0.000 2.692 3215 F HA 0.293 4.819 4.527 -0.001 0.000 0.303 3215 F C 0.074 175.907 175.800 0.055 0.000 1.114 3215 F CA -0.651 57.385 58.000 0.060 0.000 1.361 3215 F CB -0.197 38.831 39.000 0.046 0.000 1.063 3215 F HN -0.256 nan 8.300 nan 0.000 0.550 3216 L N 1.691 122.750 121.223 -0.273 0.000 2.317 3216 L HA 0.372 4.711 4.340 -0.001 0.000 0.281 3216 L C 1.437 178.270 176.870 -0.061 0.000 1.024 3216 L CA -0.703 54.036 54.840 -0.170 0.000 0.810 3216 L CB 2.025 43.938 42.059 -0.243 0.000 1.240 3216 L HN 0.040 nan 8.230 nan 0.000 0.427 3217 K N 2.057 122.445 120.400 -0.020 0.000 2.366 3217 K HA 0.210 4.530 4.320 -0.001 0.000 0.198 3217 K C 0.136 176.725 176.600 -0.019 0.000 1.044 3217 K CA 0.624 56.901 56.287 -0.017 0.000 0.973 3217 K CB 0.346 32.838 32.500 -0.013 0.000 0.767 3217 K HN 0.729 nan 8.250 nan 0.000 0.475 3218 A N -0.180 122.633 122.820 -0.013 0.000 2.597 3218 A HA 0.480 4.800 4.320 -0.001 0.000 0.292 3218 A C -1.206 176.383 177.584 0.009 0.000 1.057 3218 A CA -0.610 51.432 52.037 0.008 0.000 0.674 3218 A CB 1.207 20.223 19.000 0.027 0.000 1.278 3218 A HN 0.198 nan 8.150 nan 0.000 0.416 3219 S N -0.574 115.140 115.700 0.023 0.000 2.671 3219 S HA 0.814 5.283 4.470 -0.001 0.000 0.277 3219 S C -0.162 174.458 174.600 0.033 0.000 1.165 3219 S CA -0.230 57.985 58.200 0.025 0.000 0.822 3219 S CB 0.926 64.132 63.200 0.010 0.000 1.150 3219 S HN 1.268 nan 8.310 nan 0.000 0.479 3220 T N 2.090 116.661 114.554 0.030 0.000 2.937 3220 T HA 0.132 4.481 4.350 -0.001 0.000 0.316 3220 T C 0.263 174.983 174.700 0.032 0.000 1.079 3220 T CA 0.120 62.233 62.100 0.022 0.000 1.131 3220 T CB -0.433 68.445 68.868 0.016 0.000 1.000 3220 T HN 0.679 nan 8.240 nan 0.000 0.549 3221 N N 1.984 120.707 118.700 0.038 0.000 3.083 3221 N HA 0.004 4.743 4.740 -0.001 0.000 0.260 3221 N C 1.685 177.258 175.510 0.105 0.000 1.163 3221 N CA -0.537 52.568 53.050 0.090 0.000 1.060 3221 N CB 0.284 38.830 38.487 0.098 0.000 1.345 3221 N HN 0.604 nan 8.380 nan 0.000 0.515 3222 E N 2.568 122.801 120.200 0.055 0.000 2.187 3222 E HA -0.277 4.072 4.350 -0.001 0.000 0.199 3222 E C 0.635 177.236 176.600 0.003 0.000 1.004 3222 E CA 1.443 57.856 56.400 0.021 0.000 0.813 3222 E CB -0.153 29.545 29.700 -0.004 0.000 0.736 3222 E HN 0.556 nan 8.360 nan 0.000 0.468 3223 K N -0.429 119.975 120.400 0.008 0.000 2.442 3223 K HA -0.048 4.272 4.320 -0.001 0.000 0.198 3223 K C 0.575 176.967 176.600 -0.346 0.000 1.044 3223 K CA 0.914 57.108 56.287 -0.155 0.000 0.948 3223 K CB -0.150 32.248 32.500 -0.170 0.000 0.762 3223 K HN 0.162 nan 8.250 nan 0.000 0.472 3224 F N -0.195 119.735 119.950 -0.032 0.000 2.805 3224 F HA 0.279 4.806 4.527 -0.001 0.000 0.317 3224 F C 0.081 175.827 175.800 -0.091 0.000 1.146 3224 F CA -0.692 57.280 58.000 -0.047 0.000 1.265 3224 F CB 0.966 39.935 39.000 -0.052 0.000 0.992 3224 F HN -0.221 nan 8.300 nan 0.000 0.511 3225 A N 1.799 124.637 122.820 0.029 0.000 2.322 3225 A HA 0.466 4.785 4.320 -0.001 0.000 0.327 3225 A C -1.542 176.022 177.584 -0.034 0.000 1.394 3225 A CA -1.325 50.703 52.037 -0.015 0.000 0.921 3225 A CB 0.315 19.305 19.000 -0.017 0.000 1.153 3225 A HN 0.028 nan 8.150 nan 0.000 0.523 3226 P HA -0.177 nan 4.420 nan 0.000 0.222 3226 P C 1.310 178.589 177.300 -0.035 0.000 1.147 3226 P CA 1.757 64.834 63.100 -0.039 0.000 0.790 3226 P CB 0.156 31.833 31.700 -0.038 0.000 0.780 3227 S N 0.119 115.798 115.700 -0.034 0.000 2.515 3227 S HA -0.038 4.431 4.470 -0.001 0.000 0.231 3227 S C 1.650 176.236 174.600 -0.023 0.000 0.987 3227 S CA 0.500 58.685 58.200 -0.026 0.000 0.936 3227 S CB -1.204 61.981 63.200 -0.024 0.000 0.766 3227 S HN 0.393 nan 8.310 nan 0.000 0.528 3228 I N -1.523 119.031 120.570 -0.026 0.000 3.813 3228 I HA 0.392 4.561 4.170 -0.001 0.000 0.323 3228 I C 1.578 177.675 176.117 -0.033 0.000 1.536 3228 I CA -0.775 60.510 61.300 -0.025 0.000 1.083 3228 I CB 0.188 38.175 38.000 -0.021 0.000 1.265 3228 I HN 0.075 nan 8.210 nan 0.000 0.507 3229 R N 0.404 120.880 120.500 -0.039 0.000 2.117 3229 R HA -0.187 4.152 4.340 -0.001 0.000 0.243 3229 R C 0.863 177.137 176.300 -0.044 0.000 1.143 3229 R CA 2.114 58.184 56.100 -0.050 0.000 0.968 3229 R CB -0.783 29.485 30.300 -0.053 0.000 0.863 3229 R HN 0.292 nan 8.270 nan 0.000 0.444 3230 D N 1.739 122.119 120.400 -0.033 0.000 2.087 3230 D HA -0.186 4.454 4.640 -0.001 0.000 0.192 3230 D C 1.711 177.994 176.300 -0.028 0.000 0.993 3230 D CA 1.912 55.895 54.000 -0.028 0.000 0.828 3230 D CB -0.334 40.453 40.800 -0.021 0.000 0.968 3230 D HN 0.634 nan 8.370 nan 0.000 0.448 3231 Q N 0.315 120.099 119.800 -0.026 0.000 2.291 3231 Q HA 0.139 4.478 4.340 -0.001 0.000 0.211 3231 Q C -0.477 175.505 176.000 -0.030 0.000 0.925 3231 Q CA 0.130 55.918 55.803 -0.024 0.000 0.949 3231 Q CB 0.342 29.068 28.738 -0.019 0.000 1.015 3231 Q HN -0.008 nan 8.270 nan 0.000 0.477 3232 V N 2.848 122.740 119.914 -0.037 0.000 2.443 3232 V HA 0.030 4.150 4.120 -0.001 0.000 0.293 3232 V C 0.801 176.865 176.094 -0.050 0.000 1.021 3232 V CA -0.609 61.664 62.300 -0.045 0.000 0.848 3232 V CB 1.642 33.432 31.823 -0.056 0.000 0.998 3232 V HN 0.320 nan 8.190 nan 0.000 0.424 3233 E N 4.497 124.670 120.200 -0.045 0.000 2.046 3233 E HA -0.058 4.291 4.350 -0.001 0.000 0.190 3233 E C 1.466 178.033 176.600 -0.055 0.000 0.982 3233 E CA 1.638 58.012 56.400 -0.043 0.000 0.800 3233 E CB -0.216 29.464 29.700 -0.033 0.000 0.756 3233 E HN 0.685 nan 8.360 nan 0.000 0.449 3234 G N 1.520 110.283 108.800 -0.062 0.000 3.678 3234 G HA2 0.045 4.005 3.960 -0.001 0.000 0.287 3234 G HA3 0.045 4.005 3.960 -0.001 0.000 0.287 3234 G C 0.052 174.875 174.900 -0.128 0.000 1.280 3234 G CA 0.090 45.143 45.100 -0.078 0.000 1.118 3234 G HN 0.286 nan 8.290 nan 0.000 0.563 3235 T N 0.123 114.596 114.554 -0.135 0.000 2.902 3235 T HA 0.079 4.428 4.350 -0.001 0.000 0.301 3235 T C 1.086 175.626 174.700 -0.266 0.000 1.012 3235 T CA 0.081 62.063 62.100 -0.197 0.000 1.151 3235 T CB 0.731 69.514 68.868 -0.140 0.000 0.946 3235 T HN 0.207 nan 8.240 nan 0.000 0.542 3236 Q N 3.530 123.042 119.800 -0.480 0.000 2.247 3236 Q HA 0.207 4.546 4.340 -0.001 0.000 0.205 3236 Q C -0.191 175.607 176.000 -0.336 0.000 0.896 3236 Q CA -0.006 55.486 55.803 -0.517 0.000 0.950 3236 Q CB 0.172 28.278 28.738 -1.053 0.000 1.054 3236 Q HN 0.601 nan 8.270 nan 0.000 0.482 3237 I N 3.847 124.277 120.570 -0.234 0.000 2.297 3237 I HA 0.219 4.388 4.170 -0.001 0.000 0.291 3237 I C -1.926 174.149 176.117 -0.070 0.000 1.033 3237 I CA -2.596 58.639 61.300 -0.109 0.000 1.253 3237 I CB 0.676 38.626 38.000 -0.083 0.000 1.396 3237 I HN -0.123 nan 8.210 nan 0.000 0.476 3238 P HA 0.119 nan 4.420 nan 0.000 0.272 3238 P C 0.647 177.933 177.300 -0.023 0.000 1.230 3238 P CA -0.193 62.890 63.100 -0.028 0.000 0.788 3238 P CB 1.144 32.837 31.700 -0.012 0.000 0.949 3239 A N 3.257 126.064 122.820 -0.022 0.000 1.870 3239 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 3239 A C 2.170 179.747 177.584 -0.012 0.000 1.286 3239 A CA 2.546 54.573 52.037 -0.018 0.000 0.682 3239 A CB -2.119 16.872 19.000 -0.015 0.000 0.844 3239 A HN 0.685 nan 8.150 nan 0.000 0.460 3240 G N -1.404 107.392 108.800 -0.007 0.000 3.094 3240 G HA2 0.343 4.303 3.960 -0.001 0.000 0.208 3240 G HA3 0.343 4.303 3.960 -0.001 0.000 0.208 3240 G C 0.091 174.992 174.900 0.002 0.000 1.189 3240 G CA 0.463 45.562 45.100 -0.002 0.000 0.856 3240 G HN 0.333 nan 8.290 nan 0.000 0.510 3241 V N 0.663 120.577 119.914 0.000 0.000 2.364 3241 V HA 0.228 4.348 4.120 -0.001 0.000 0.272 3241 V C 0.727 176.820 176.094 -0.002 0.000 1.036 3241 V CA -0.357 61.947 62.300 0.006 0.000 0.880 3241 V CB 1.510 33.342 31.823 0.014 0.000 0.991 3241 V HN 0.310 nan 8.190 nan 0.000 0.460 3242 K N 3.277 123.677 120.400 0.000 0.000 2.353 3242 K HA 0.535 4.855 4.320 -0.001 0.000 0.195 3242 K C 0.336 176.921 176.600 -0.025 0.000 1.031 3242 K CA 0.377 56.658 56.287 -0.009 0.000 1.079 3242 K CB 1.134 33.633 32.500 -0.001 0.000 0.857 3242 K HN 0.694 nan 8.250 nan 0.000 0.535 3243 A N 0.806 123.610 122.820 -0.026 0.000 2.566 3243 A HA 0.591 4.911 4.320 -0.001 0.000 0.297 3243 A C -1.311 176.217 177.584 -0.093 0.000 1.059 3243 A CA -0.612 51.375 52.037 -0.083 0.000 0.691 3243 A CB 1.715 20.684 19.000 -0.051 0.000 1.282 3243 A HN -0.091 nan 8.150 nan 0.000 0.401 3244 V N 1.343 121.116 119.914 -0.236 0.000 2.841 3244 V HA 0.657 4.776 4.120 -0.001 0.000 0.310 3244 V C -1.416 174.395 176.094 -0.471 0.000 1.090 3244 V CA -0.492 61.688 62.300 -0.200 0.000 0.930 3244 V CB 1.798 33.552 31.823 -0.115 0.000 1.014 3244 V HN 0.854 nan 8.190 nan 0.000 0.425 3245 Y N 1.336 121.570 120.300 -0.110 0.000 2.492 3245 Y HA 0.566 5.115 4.550 -0.001 0.000 0.346 3245 Y C -0.033 175.712 175.900 -0.258 0.000 0.997 3245 Y CA -0.565 57.432 58.100 -0.172 0.000 1.025 3245 Y CB 2.280 40.677 38.460 -0.105 0.000 1.263 3245 Y HN 0.678 nan 8.280 nan 0.000 0.454 3246 E N 2.882 122.958 120.200 -0.205 0.000 2.207 3246 E HA 0.554 4.904 4.350 -0.001 0.000 0.270 3246 E C -1.588 174.811 176.600 -0.335 0.000 0.927 3246 E CA -0.747 55.451 56.400 -0.336 0.000 0.799 3246 E CB 1.200 30.550 29.700 -0.583 0.000 1.172 3246 E HN 0.454 nan 8.360 nan 0.000 0.404 3247 I N 4.078 124.373 120.570 -0.458 0.000 2.382 3247 I HA 0.263 4.432 4.170 -0.001 0.000 0.285 3247 I C -0.390 175.563 176.117 -0.274 0.000 1.007 3247 I CA -0.729 60.303 61.300 -0.446 0.000 1.142 3247 I CB 1.162 38.700 38.000 -0.771 0.000 1.289 3247 I HN 0.324 nan 8.210 nan 0.000 0.453 3248 V N 7.745 127.556 119.914 -0.171 0.000 2.481 3248 V HA 0.519 4.638 4.120 -0.001 0.000 0.286 3248 V C 0.212 176.339 176.094 0.055 0.000 1.042 3248 V CA -0.458 61.815 62.300 -0.045 0.000 0.928 3248 V CB 2.296 34.087 31.823 -0.053 0.000 0.986 3248 V HN 0.441 nan 8.190 nan 0.000 0.462 3249 I N 4.336 124.957 120.570 0.084 0.000 2.545 3249 I HA 0.515 4.685 4.170 -0.001 0.000 0.292 3249 I C -0.698 175.475 176.117 0.094 0.000 1.040 3249 I CA -0.631 60.728 61.300 0.098 0.000 1.068 3249 I CB 2.226 40.291 38.000 0.108 0.000 1.251 3249 I HN 0.496 nan 8.210 nan 0.000 0.424 3250 N N 2.977 121.730 118.700 0.088 0.000 2.292 3250 N HA 0.882 5.621 4.740 -0.001 0.000 0.303 3250 N C -0.501 175.043 175.510 0.056 0.000 1.140 3250 N CA -0.527 52.567 53.050 0.073 0.000 0.788 3250 N CB 2.443 40.978 38.487 0.081 0.000 1.361 3250 N HN 0.889 nan 8.380 nan 0.000 0.489 3251 G N -0.661 108.160 108.800 0.035 0.000 2.523 3251 G HA2 0.248 4.208 3.960 -0.001 0.000 0.291 3251 G HA3 0.248 4.208 3.960 -0.001 0.000 0.291 3251 G C 0.222 175.128 174.900 0.010 0.000 1.450 3251 G CA -0.747 44.369 45.100 0.026 0.000 0.790 3251 G HN 0.409 nan 8.290 nan 0.000 0.496 3252 L N -0.167 121.062 121.223 0.011 0.000 2.131 3252 L HA 0.070 4.410 4.340 -0.001 0.000 0.210 3252 L C 1.157 178.020 176.870 -0.011 0.000 1.092 3252 L CA 1.763 56.607 54.840 0.006 0.000 0.759 3252 L CB -0.695 41.367 42.059 0.004 0.000 0.903 3252 L HN 0.755 nan 8.230 nan 0.000 0.435 3253 N N -3.580 115.105 118.700 -0.025 0.000 3.179 3253 N HA 0.355 5.094 4.740 -0.001 0.000 0.250 3253 N C 0.090 175.571 175.510 -0.047 0.000 1.507 3253 N CA -0.076 52.952 53.050 -0.038 0.000 0.883 3253 N CB 0.802 39.279 38.487 -0.016 0.000 1.435 3253 N HN -0.195 nan 8.380 nan 0.000 0.532 3254 A N -0.263 122.531 122.820 -0.043 0.000 1.877 3254 A HA -0.147 4.173 4.320 -0.001 0.000 0.216 3254 A C 1.260 178.835 177.584 -0.016 0.000 1.186 3254 A CA 1.980 54.001 52.037 -0.027 0.000 0.620 3254 A CB -1.037 17.971 19.000 0.013 0.000 0.822 3254 A HN 0.736 nan 8.150 nan 0.000 0.443 3255 D N 0.121 120.513 120.400 -0.014 0.000 2.149 3255 D HA -0.096 4.543 4.640 -0.001 0.000 0.198 3255 D C 2.189 178.478 176.300 -0.019 0.000 0.990 3255 D CA 1.565 55.554 54.000 -0.018 0.000 0.839 3255 D CB -0.391 40.398 40.800 -0.017 0.000 0.948 3255 D HN 0.441 nan 8.370 nan 0.000 0.460 3256 A N 0.886 123.698 122.820 -0.014 0.000 1.898 3256 A HA -0.123 4.196 4.320 -0.001 0.000 0.216 3256 A C 2.207 179.792 177.584 0.002 0.000 1.181 3256 A CA 0.721 52.754 52.037 -0.007 0.000 0.620 3256 A CB -0.419 18.579 19.000 -0.003 0.000 0.819 3256 A HN 0.111 nan 8.150 nan 0.000 0.442 3257 I N 0.184 120.753 120.570 -0.001 0.000 2.226 3257 I HA -0.233 3.937 4.170 -0.001 0.000 0.245 3257 I C 2.204 178.330 176.117 0.015 0.000 1.100 3257 I CA 1.690 62.998 61.300 0.015 0.000 1.374 3257 I CB -1.188 36.813 38.000 0.002 0.000 1.057 3257 I HN 0.388 nan 8.210 nan 0.000 0.413 3258 K N 0.403 120.798 120.400 -0.008 0.000 2.097 3258 K HA -0.208 4.112 4.320 -0.001 0.000 0.205 3258 K C 2.027 178.591 176.600 -0.060 0.000 1.050 3258 K CA 1.247 57.514 56.287 -0.033 0.000 0.938 3258 K CB -0.142 32.331 32.500 -0.046 0.000 0.718 3258 K HN 0.348 nan 8.250 nan 0.000 0.442 3259 E N 0.962 121.136 120.200 -0.044 0.000 2.051 3259 E HA -0.193 4.156 4.350 -0.001 0.000 0.192 3259 E C 2.024 178.608 176.600 -0.026 0.000 0.991 3259 E CA 1.062 57.432 56.400 -0.050 0.000 0.799 3259 E CB -0.053 29.629 29.700 -0.030 0.000 0.748 3259 E HN 0.301 nan 8.360 nan 0.000 0.449 3260 A N 0.317 123.146 122.820 0.014 0.000 1.908 3260 A HA -0.207 4.113 4.320 -0.001 0.000 0.218 3260 A C 2.397 180.031 177.584 0.084 0.000 1.181 3260 A CA 2.198 54.272 52.037 0.061 0.000 0.627 3260 A CB -1.074 17.978 19.000 0.086 0.000 0.818 3260 A HN 0.360 nan 8.150 nan 0.000 0.445 3261 T N -0.871 113.720 114.554 0.063 0.000 2.674 3261 T HA -0.161 4.188 4.350 -0.001 0.000 0.265 3261 T C 2.083 176.714 174.700 -0.115 0.000 1.039 3261 T CA 1.564 63.692 62.100 0.046 0.000 1.150 3261 T CB -0.242 68.657 68.868 0.051 0.000 0.864 3261 T HN 0.585 nan 8.240 nan 0.000 0.427 3262 R N 0.525 120.934 120.500 -0.152 0.000 2.080 3262 R HA -0.094 4.245 4.340 -0.001 0.000 0.236 3262 R C 2.373 178.623 176.300 -0.084 0.000 1.137 3262 R CA 1.424 57.365 56.100 -0.264 0.000 0.943 3262 R CB -0.634 29.420 30.300 -0.410 0.000 0.846 3262 R HN 0.218 nan 8.270 nan 0.000 0.431 3263 V N 0.411 120.293 119.914 -0.052 0.000 2.407 3263 V HA -0.174 3.946 4.120 -0.001 0.000 0.248 3263 V C 2.366 178.476 176.094 0.028 0.000 1.055 3263 V CA 2.072 64.374 62.300 0.003 0.000 1.049 3263 V CB -0.826 31.007 31.823 0.018 0.000 0.662 3263 V HN 0.704 nan 8.190 nan 0.000 0.455 3264 G N -0.267 108.550 108.800 0.028 0.000 2.404 3264 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.215 3264 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.215 3264 G C 1.571 176.422 174.900 -0.082 0.000 1.174 3264 G CA 0.935 46.101 45.100 0.111 0.000 0.780 3264 G HN 0.482 nan 8.290 nan 0.000 0.537 3265 I N 0.469 120.787 120.570 -0.420 0.000 2.179 3265 I HA -0.128 4.042 4.170 -0.001 0.000 0.242 3265 I C 2.715 178.787 176.117 -0.076 0.000 1.088 3265 I CA 0.628 61.709 61.300 -0.365 0.000 1.357 3265 I CB -0.250 37.572 38.000 -0.297 0.000 1.051 3265 I HN 0.117 nan 8.210 nan 0.000 0.409 3266 L N 0.573 121.825 121.223 0.047 0.000 2.043 3266 L HA -0.257 4.083 4.340 -0.001 0.000 0.212 3266 L C 2.799 179.690 176.870 0.035 0.000 1.075 3266 L CA 1.564 56.445 54.840 0.068 0.000 0.752 3266 L CB -0.740 41.381 42.059 0.104 0.000 0.891 3266 L HN 0.289 nan 8.230 nan 0.000 0.432 3267 A N -0.343 122.503 122.820 0.043 0.000 1.898 3267 A HA -0.012 4.308 4.320 -0.001 0.000 0.214 3267 A C 2.541 180.160 177.584 0.058 0.000 1.183 3267 A CA 1.231 53.299 52.037 0.051 0.000 0.622 3267 A CB -0.587 18.452 19.000 0.066 0.000 0.824 3267 A HN 0.364 nan 8.150 nan 0.000 0.444 3268 A N 0.140 123.010 122.820 0.082 0.000 1.940 3268 A HA -0.139 4.180 4.320 -0.001 0.000 0.219 3268 A C 2.220 179.842 177.584 0.064 0.000 1.176 3268 A CA 2.371 54.474 52.037 0.110 0.000 0.631 3268 A CB -1.443 17.681 19.000 0.208 0.000 0.814 3268 A HN 0.783 nan 8.150 nan 0.000 0.446 3269 T N -3.017 111.552 114.554 0.025 0.000 3.215 3269 T HA 0.117 4.467 4.350 -0.001 0.000 0.254 3269 T C 1.167 175.872 174.700 0.007 0.000 1.149 3269 T CA 0.648 62.750 62.100 0.003 0.000 1.042 3269 T CB 0.015 68.858 68.868 -0.042 0.000 0.966 3269 T HN 0.293 nan 8.240 nan 0.000 0.534 3270 K N 0.331 120.742 120.400 0.018 0.000 2.379 3270 K HA 0.273 4.593 4.320 -0.001 0.000 0.194 3270 K C 0.077 176.688 176.600 0.018 0.000 1.031 3270 K CA -0.067 56.230 56.287 0.016 0.000 1.037 3270 K CB 0.124 32.635 32.500 0.019 0.000 0.824 3270 K HN 0.388 nan 8.250 nan 0.000 0.516 3271 I N 2.842 123.427 120.570 0.025 0.000 2.342 3271 I HA 0.160 4.329 4.170 -0.001 0.000 0.291 3271 I C -2.307 173.825 176.117 0.025 0.000 1.010 3271 I CA -3.147 58.169 61.300 0.026 0.000 1.308 3271 I CB 0.591 38.610 38.000 0.033 0.000 1.400 3271 I HN -0.162 nan 8.210 nan 0.000 0.488 3272 P HA 0.274 nan 4.420 nan 0.000 0.265 3272 P C 0.768 178.082 177.300 0.024 0.000 1.193 3272 P CA 0.450 63.561 63.100 0.018 0.000 0.765 3272 P CB 0.621 32.330 31.700 0.015 0.000 0.823 3273 G N 1.070 109.884 108.800 0.024 0.000 2.213 3273 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.226 3273 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.226 3273 G C 0.022 174.944 174.900 0.036 0.000 0.992 3273 G CA -0.256 44.861 45.100 0.029 0.000 0.632 3273 G HN 0.527 nan 8.290 nan 0.000 0.511 3274 V N 1.552 121.488 119.914 0.038 0.000 2.508 3274 V HA 0.383 4.503 4.120 -0.001 0.000 0.281 3274 V C 1.519 177.633 176.094 0.033 0.000 1.041 3274 V CA 0.522 62.850 62.300 0.047 0.000 1.016 3274 V CB 1.503 33.357 31.823 0.051 0.000 0.984 3274 V HN 0.163 nan 8.190 nan 0.000 0.478 3275 V N 3.800 123.737 119.914 0.038 0.000 3.212 3275 V HA 0.254 4.373 4.120 -0.001 0.000 0.244 3275 V C 0.431 176.540 176.094 0.024 0.000 1.151 3275 V CA 0.662 62.977 62.300 0.025 0.000 1.119 3275 V CB 0.535 32.373 31.823 0.025 0.000 0.838 3275 V HN 0.876 nan 8.190 nan 0.000 0.470 3276 K N 0.136 120.562 120.400 0.043 0.000 2.546 3276 K HA 0.543 4.862 4.320 -0.001 0.000 0.264 3276 K C -1.981 174.663 176.600 0.074 0.000 0.937 3276 K CA -0.381 55.932 56.287 0.044 0.000 0.833 3276 K CB 1.844 34.375 32.500 0.052 0.000 1.378 3276 K HN -0.095 nan 8.250 nan 0.000 0.432 3277 I N 3.322 123.922 120.570 0.049 0.000 2.545 3277 I HA 0.516 4.685 4.170 -0.001 0.000 0.292 3277 I C 0.030 176.176 176.117 0.049 0.000 1.040 3277 I CA -0.272 61.074 61.300 0.077 0.000 1.068 3277 I CB 1.361 39.359 38.000 -0.003 0.000 1.251 3277 I HN 1.023 nan 8.210 nan 0.000 0.424 3278 T N 1.880 116.475 114.554 0.067 0.000 2.612 3278 T HA 0.952 5.302 4.350 -0.001 0.000 0.296 3278 T C -0.874 173.688 174.700 -0.229 0.000 1.148 3278 T CA -0.603 61.460 62.100 -0.062 0.000 1.077 3278 T CB 2.280 71.119 68.868 -0.049 0.000 1.591 3278 T HN 0.828 nan 8.240 nan 0.000 0.479 3279 A N -0.856 121.644 122.820 -0.533 0.000 2.602 3279 A HA 0.914 5.234 4.320 -0.001 0.000 0.290 3279 A C -0.230 176.635 177.584 -1.198 0.000 1.114 3279 A CA -0.482 51.077 52.037 -0.797 0.000 0.683 3279 A CB 1.176 19.974 19.000 -0.335 0.000 1.281 3279 A HN 1.613 nan 8.150 nan 0.000 0.416 3280 G N 0.153 108.260 108.800 -1.155 0.000 2.415 3280 G HA2 0.570 4.530 3.960 -0.001 0.000 0.327 3280 G HA3 0.570 4.530 3.960 -0.001 0.000 0.327 3280 G C -0.736 173.797 174.900 -0.612 0.000 1.182 3280 G CA -0.281 44.314 45.100 -0.841 0.000 0.924 3280 G HN 1.257 nan 8.290 nan 0.000 0.470 3281 N N -0.440 117.832 118.700 -0.714 0.000 2.902 3281 N HA 0.708 5.448 4.740 -0.001 0.000 0.268 3281 N C -1.117 173.967 175.510 -0.710 0.000 1.450 3281 N CA -0.856 51.809 53.050 -0.643 0.000 0.819 3281 N CB 1.316 39.297 38.487 -0.844 0.000 1.540 3281 N HN 0.415 nan 8.380 nan 0.000 0.545 3282 Y N -1.541 118.747 120.300 -0.020 0.000 3.116 3282 Y HA 0.659 5.208 4.550 -0.001 0.000 0.246 3282 Y C 0.768 176.726 175.900 0.096 0.000 2.345 3282 Y CA -0.917 57.219 58.100 0.060 0.000 0.907 3282 Y CB -0.119 38.414 38.460 0.122 0.000 1.811 3282 Y HN 0.671 nan 8.280 nan 0.000 0.461 3283 G N 0.340 109.344 108.800 0.340 0.000 2.364 3283 G HA2 0.386 4.346 3.960 -0.001 0.000 0.267 3283 G HA3 0.386 4.346 3.960 -0.001 0.000 0.267 3283 G C 0.963 175.981 174.900 0.196 0.000 1.233 3283 G CA 0.152 45.380 45.100 0.214 0.000 0.885 3283 G HN 0.877 nan 8.290 nan 0.000 0.490 3284 G N 2.230 111.131 108.800 0.167 0.000 2.649 3284 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.220 3284 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.220 3284 G C 1.441 176.390 174.900 0.083 0.000 1.189 3284 G CA 0.820 45.993 45.100 0.122 0.000 0.777 3284 G HN 0.605 nan 8.290 nan 0.000 0.602 3285 K N -0.103 120.340 120.400 0.072 0.000 2.546 3285 K HA 0.243 4.563 4.320 -0.001 0.000 0.198 3285 K C 1.649 178.299 176.600 0.084 0.000 1.028 3285 K CA -0.317 56.004 56.287 0.056 0.000 1.150 3285 K CB 0.171 32.696 32.500 0.042 0.000 0.876 3285 K HN 0.268 nan 8.250 nan 0.000 0.508 3286 L N -0.697 120.601 121.223 0.124 0.000 2.316 3286 L HA 0.227 4.567 4.340 -0.001 0.000 0.207 3286 L C 0.605 177.655 176.870 0.300 0.000 1.070 3286 L CA 0.942 55.896 54.840 0.190 0.000 0.820 3286 L CB 0.348 42.524 42.059 0.194 0.000 0.992 3286 L HN -0.022 nan 8.230 nan 0.000 0.466 3287 G N -0.508 108.342 108.800 0.083 0.000 2.478 3287 G HA2 0.270 4.230 3.960 -0.001 0.000 0.317 3287 G HA3 0.270 4.230 3.960 -0.001 0.000 0.317 3287 G C 0.306 175.142 174.900 -0.106 0.000 1.259 3287 G CA -0.293 44.668 45.100 -0.232 0.000 0.933 3287 G HN 0.118 nan 8.290 nan 0.000 0.478 3288 K N 1.176 121.523 120.400 -0.087 0.000 2.025 3288 K HA -0.072 4.247 4.320 -0.001 0.000 0.207 3288 K C 0.066 176.474 176.600 -0.320 0.000 1.049 3288 K CA 0.808 56.965 56.287 -0.216 0.000 0.933 3288 K CB -0.140 32.160 32.500 -0.334 0.000 0.714 3288 K HN 0.661 nan 8.250 nan 0.000 0.438 3289 H N -0.034 119.004 119.070 -0.054 0.000 2.527 3289 H HA 0.337 4.892 4.556 -0.001 0.000 0.321 3289 H C -0.674 174.635 175.328 -0.031 0.000 1.087 3289 H CA -0.396 55.630 56.048 -0.037 0.000 1.337 3289 H CB 1.190 30.941 29.762 -0.020 0.000 1.440 3289 H HN 0.052 nan 8.280 nan 0.000 0.490 3290 I N 3.616 124.237 120.570 0.084 0.000 2.441 3290 I HA 0.264 4.433 4.170 -0.001 0.000 0.295 3290 I C -0.662 175.507 176.117 0.086 0.000 0.994 3290 I CA -0.813 60.537 61.300 0.083 0.000 1.144 3290 I CB 1.526 39.488 38.000 -0.063 0.000 1.314 3290 I HN 0.400 nan 8.210 nan 0.000 0.445 3291 I N 5.001 125.651 120.570 0.132 0.000 2.437 3291 I HA 0.232 4.401 4.170 -0.001 0.000 0.279 3291 I C -0.420 175.773 176.117 0.127 0.000 1.028 3291 I CA -0.274 61.083 61.300 0.095 0.000 1.142 3291 I CB 0.678 38.726 38.000 0.080 0.000 1.266 3291 I HN 0.431 nan 8.210 nan 0.000 0.461 3292 N N 5.441 124.193 118.700 0.086 0.000 2.442 3292 N HA 0.188 4.928 4.740 -0.001 0.000 0.265 3292 N C 0.892 176.456 175.510 0.090 0.000 1.138 3292 N CA -0.512 52.599 53.050 0.102 0.000 0.956 3292 N CB 1.067 39.577 38.487 0.039 0.000 1.067 3292 N HN 0.418 nan 8.380 nan 0.000 0.474 3293 L N 2.532 123.828 121.223 0.122 0.000 2.131 3293 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 3293 L C 2.277 179.269 176.870 0.204 0.000 1.092 3293 L CA 1.139 56.077 54.840 0.162 0.000 0.759 3293 L CB -0.626 41.522 42.059 0.149 0.000 0.903 3293 L HN 0.707 nan 8.230 nan 0.000 0.435 3294 N N -0.143 118.639 118.700 0.137 0.000 2.519 3294 N HA -0.213 4.527 4.740 -0.001 0.000 0.186 3294 N C 1.175 176.742 175.510 0.096 0.000 1.062 3294 N CA 1.076 54.202 53.050 0.125 0.000 0.910 3294 N CB -0.301 38.231 38.487 0.075 0.000 0.958 3294 N HN 0.515 nan 8.380 nan 0.000 0.445 3295 E N -0.220 120.011 120.200 0.051 0.000 2.474 3295 E HA 0.206 4.555 4.350 -0.001 0.000 0.195 3295 E C 1.119 177.672 176.600 -0.078 0.000 1.039 3295 E CA -0.111 56.286 56.400 -0.004 0.000 0.881 3295 E CB 0.266 29.956 29.700 -0.016 0.000 0.970 3295 E HN 0.390 nan 8.360 nan 0.000 0.486 3296 L N -0.322 120.812 121.223 -0.148 0.000 2.590 3296 L HA 0.257 4.597 4.340 -0.001 0.000 0.227 3296 L C 0.128 176.501 176.870 -0.828 0.000 1.099 3296 L CA 0.183 54.711 54.840 -0.521 0.000 0.872 3296 L CB 0.187 41.789 42.059 -0.761 0.000 1.088 3296 L HN -0.011 nan 8.230 nan 0.000 0.479 3297 F N 0.000 119.931 119.950 -0.031 0.000 2.286 3297 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 3297 F CA 0.000 57.982 58.000 -0.030 0.000 1.383 3297 F CB 0.000 38.978 39.000 -0.037 0.000 1.145 3297 F HN 0.000 nan 8.300 nan 0.000 0.574