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 3fvd_1_A DATA FIRST_RESID 0 DATA SEQUENCE SLRITRLTVF HLDLPLAKPX XXXXXXXXFD RLDSTYLRID TDEGVTGWGE DATA SEQUENCE GCPWGHSYLP AHGPGLRAGI ATLAPHLLGL DPRSLDHVNR VMDLQLPGHS DATA SEQUENCE YVKSPIDMAC WDILGQVAGL PLWQLLGGEA ATPVPINSSI STGTPDQMLG DATA SEQUENCE LIAEAAAQGY RTHSAKIGGS DPAQDIARIE AISAGLPDGH RVTFDVNRAW DATA SEQUENCE TPAIAVEVLN SVRARDWIEQ PCQTLDQCAH VARRVANPIM LDECLHEFSD DATA SEQUENCE HLAAWSRGAC EGVKIKPNRV GGLTRARQIR DFGVSVGWQM HIEDVGGTAL DATA SEQUENCE ADTAALHLAA STPEANRLAS WLGHAHLADD PIPGQGARNR DGLATPPSAP DATA SEQUENCE GLGVIPDPEA LGRPVASYDE 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.585 174.600 -0.026 0.000 1.055 0 S CA 0.000 58.183 58.200 -0.028 0.000 1.107 0 S CB 0.000 63.185 63.200 -0.024 0.000 0.593 1 L N 3.656 124.862 121.223 -0.028 0.000 2.578 1 L HA 0.417 4.759 4.340 0.004 0.000 0.279 1 L C 0.179 177.035 176.870 -0.024 0.000 1.227 1 L CA 1.065 55.890 54.840 -0.026 0.000 0.900 1 L CB 0.066 42.107 42.059 -0.030 0.000 1.144 1 L HN 0.336 nan 8.230 nan 0.000 0.496 2 R N 4.603 125.091 120.500 -0.020 0.000 2.673 2 R HA 0.516 4.859 4.340 0.004 0.000 0.281 2 R C -1.022 175.268 176.300 -0.017 0.000 0.991 2 R CA -0.995 55.095 56.100 -0.016 0.000 0.896 2 R CB 1.581 31.872 30.300 -0.015 0.000 1.201 2 R HN 0.597 nan 8.270 nan 0.000 0.457 3 I N 1.206 121.767 120.570 -0.016 0.000 2.496 3 I HA 0.024 4.196 4.170 0.004 0.000 0.285 3 I C 1.065 177.172 176.117 -0.017 0.000 1.080 3 I CA 0.556 61.844 61.300 -0.020 0.000 1.404 3 I CB 1.571 39.558 38.000 -0.021 0.000 1.403 3 I HN 0.697 nan 8.210 nan 0.000 0.539 4 T N 5.082 119.626 114.554 -0.017 0.000 2.987 4 T HA 0.194 4.547 4.350 0.004 0.000 0.248 4 T C 0.339 175.034 174.700 -0.008 0.000 0.997 4 T CA 0.160 62.252 62.100 -0.013 0.000 1.013 4 T CB 0.305 69.165 68.868 -0.013 0.000 1.077 4 T HN 0.529 nan 8.240 nan 0.000 0.483 5 R N 0.554 121.047 120.500 -0.012 0.000 2.604 5 R HA 0.466 4.808 4.340 0.004 0.000 0.261 5 R C -2.257 174.040 176.300 -0.005 0.000 1.080 5 R CA -0.494 55.605 56.100 -0.001 0.000 0.917 5 R CB 0.999 31.290 30.300 -0.015 0.000 1.252 5 R HN 0.142 nan 8.270 nan 0.000 0.456 6 L N 2.648 123.897 121.223 0.044 0.000 2.333 6 L HA 0.562 4.904 4.340 0.004 0.000 0.280 6 L C -0.514 176.385 176.870 0.048 0.000 1.004 6 L CA -0.809 54.064 54.840 0.055 0.000 0.820 6 L CB 2.273 44.410 42.059 0.129 0.000 1.247 6 L HN 0.602 nan 8.230 nan 0.000 0.416 7 T N 1.949 116.482 114.554 -0.035 0.000 2.841 7 T HA 0.587 4.939 4.350 0.004 0.000 0.283 7 T C -0.349 174.304 174.700 -0.078 0.000 1.000 7 T CA -0.528 61.499 62.100 -0.123 0.000 0.977 7 T CB 2.426 71.193 68.868 -0.169 0.000 0.979 7 T HN 0.189 nan 8.240 nan 0.000 0.446 8 V N 3.722 123.531 119.914 -0.176 0.000 2.417 8 V HA 0.586 4.708 4.120 0.004 0.000 0.291 8 V C -0.982 175.011 176.094 -0.167 0.000 1.024 8 V CA -0.791 61.505 62.300 -0.008 0.000 0.861 8 V CB 0.809 32.667 31.823 0.058 0.000 0.985 8 V HN 0.796 nan 8.190 nan 0.000 0.436 9 F N 2.583 122.659 119.950 0.210 0.000 2.522 9 F HA 0.513 5.043 4.527 0.003 0.000 0.324 9 F C 0.193 176.139 175.800 0.244 0.000 1.077 9 F CA -0.600 57.526 58.000 0.211 0.000 0.944 9 F CB 1.571 40.722 39.000 0.251 0.000 1.175 9 F HN 0.526 nan 8.300 nan 0.000 0.468 10 H N 3.616 122.835 119.070 0.248 0.000 2.551 10 H HA 0.570 5.128 4.556 0.004 0.000 0.321 10 H C -1.689 173.704 175.328 0.107 0.000 1.028 10 H CA -1.010 55.133 56.048 0.159 0.000 1.215 10 H CB 1.050 30.874 29.762 0.103 0.000 1.414 10 H HN 0.488 nan 8.280 nan 0.000 0.480 11 L N 4.906 126.269 121.223 0.233 0.000 2.296 11 L HA 0.140 4.482 4.340 0.004 0.000 0.286 11 L C -0.162 176.719 176.870 0.017 0.000 1.023 11 L CA -0.367 54.470 54.840 -0.005 0.000 0.812 11 L CB 1.506 43.512 42.059 -0.088 0.000 1.223 11 L HN 0.705 nan 8.230 nan 0.000 0.421 12 D N 3.817 124.146 120.400 -0.120 0.000 2.428 12 D HA 0.395 5.038 4.640 0.004 0.000 0.221 12 D C -1.022 175.271 176.300 -0.013 0.000 1.123 12 D CA -0.054 53.913 54.000 -0.054 0.000 0.869 12 D CB 0.349 41.073 40.800 -0.128 0.000 1.032 12 D HN 0.342 nan 8.370 nan 0.000 0.506 13 L N 6.302 127.543 121.223 0.029 0.000 2.295 13 L HA 0.445 4.787 4.340 0.004 0.000 0.281 13 L C -2.050 174.833 176.870 0.022 0.000 1.018 13 L CA -2.025 52.828 54.840 0.023 0.000 0.841 13 L CB 1.499 43.586 42.059 0.046 0.000 1.218 13 L HN 0.268 nan 8.230 nan 0.000 0.424 14 P HA 0.096 nan 4.420 nan 0.000 0.271 14 P C -0.374 176.929 177.300 0.005 0.000 1.216 14 P CA -0.108 62.993 63.100 0.003 0.000 0.771 14 P CB 0.896 32.596 31.700 -0.001 0.000 0.864 15 L N 2.376 123.589 121.223 -0.017 0.000 2.439 15 L HA 0.162 4.504 4.340 0.004 0.000 0.269 15 L C 1.966 178.841 176.870 0.008 0.000 1.179 15 L CA -0.371 54.468 54.840 -0.002 0.000 0.828 15 L CB 0.320 42.335 42.059 -0.073 0.000 1.106 15 L HN 0.404 nan 8.230 nan 0.000 0.467 16 A N 2.363 125.205 122.820 0.036 0.000 1.930 16 A HA -0.091 4.232 4.320 0.004 0.000 0.217 16 A C 1.144 178.733 177.584 0.009 0.000 1.175 16 A CA 1.334 53.382 52.037 0.018 0.000 0.627 16 A CB -0.113 18.896 19.000 0.014 0.000 0.815 16 A HN 0.535 nan 8.150 nan 0.000 0.443 17 K N 0.940 121.353 120.400 0.020 0.000 2.592 17 K HA 0.442 4.765 4.320 0.004 0.000 0.212 17 K C -2.788 173.795 176.600 -0.027 0.000 1.013 17 K CA -2.378 53.915 56.287 0.009 0.000 1.034 17 K CB 0.599 33.123 32.500 0.039 0.000 1.292 17 K HN 0.219 nan 8.250 nan 0.000 0.521 29 D N 2.244 122.606 120.400 -0.065 0.000 2.379 29 D HA 0.144 4.786 4.640 0.004 0.000 0.208 29 D C -0.087 176.172 176.300 -0.068 0.000 1.065 29 D CA 0.179 54.107 54.000 -0.121 0.000 0.848 29 D CB 0.425 41.191 40.800 -0.056 0.000 0.949 29 D HN 0.743 nan 8.370 nan 0.000 0.509 30 R N -0.096 120.427 120.500 0.039 0.000 2.808 30 R HA 0.676 5.018 4.340 0.004 0.000 0.272 30 R C -0.689 175.664 176.300 0.089 0.000 0.995 30 R CA -0.945 55.185 56.100 0.050 0.000 0.917 30 R CB 1.711 32.044 30.300 0.055 0.000 1.217 30 R HN -0.122 nan 8.270 nan 0.000 0.471 31 L N 0.717 121.961 121.223 0.035 0.000 2.331 31 L HA 0.389 4.731 4.340 0.004 0.000 0.275 31 L C -0.537 176.389 176.870 0.093 0.000 1.022 31 L CA -0.956 53.899 54.840 0.025 0.000 0.812 31 L CB 1.738 43.806 42.059 0.014 0.000 1.257 31 L HN 0.610 nan 8.230 nan 0.000 0.435 32 D N 1.696 122.161 120.400 0.109 0.000 2.454 32 D HA 0.203 4.845 4.640 0.004 0.000 0.225 32 D C -0.795 175.615 176.300 0.184 0.000 1.081 32 D CA 0.113 54.221 54.000 0.179 0.000 0.864 32 D CB 1.487 42.358 40.800 0.118 0.000 1.040 32 D HN 0.359 nan 8.370 nan 0.000 0.517 33 S N 2.470 118.317 115.700 0.245 0.000 2.549 33 S HA 0.628 5.100 4.470 0.004 0.000 0.297 33 S C -0.542 174.247 174.600 0.315 0.000 1.115 33 S CA -0.433 57.927 58.200 0.266 0.000 1.059 33 S CB 1.156 64.513 63.200 0.260 0.000 1.046 33 S HN 0.330 nan 8.310 nan 0.000 0.506 34 T N 4.305 119.060 114.554 0.335 0.000 2.786 34 T HA 0.395 4.747 4.350 0.004 0.000 0.283 34 T C -1.275 173.738 174.700 0.521 0.000 0.992 34 T CA -0.131 62.185 62.100 0.359 0.000 0.954 34 T CB 0.377 69.390 68.868 0.243 0.000 0.934 34 T HN 0.603 nan 8.240 nan 0.000 0.440 35 Y N 2.330 122.833 120.300 0.338 0.000 2.342 35 Y HA 0.616 5.169 4.550 0.004 0.000 0.334 35 Y C -0.223 175.947 175.900 0.449 0.000 1.067 35 Y CA -1.296 57.044 58.100 0.400 0.000 1.128 35 Y CB 1.429 40.143 38.460 0.424 0.000 1.200 35 Y HN 0.396 nan 8.280 nan 0.000 0.464 36 L N 5.433 126.909 121.223 0.421 0.000 2.376 36 L HA 0.503 4.846 4.340 0.004 0.000 0.275 36 L C -1.018 175.814 176.870 -0.063 0.000 0.987 36 L CA -0.610 54.358 54.840 0.214 0.000 0.828 36 L CB 1.409 43.548 42.059 0.132 0.000 1.249 36 L HN 0.616 nan 8.230 nan 0.000 0.409 37 R N 5.668 125.980 120.500 -0.312 0.000 2.294 37 R HA 0.662 5.005 4.340 0.004 0.000 0.319 37 R C -1.421 174.650 176.300 -0.382 0.000 0.984 37 R CA -0.511 55.090 56.100 -0.832 0.000 0.861 37 R CB 0.879 30.486 30.300 -1.154 0.000 1.104 37 R HN 0.790 nan 8.270 nan 0.000 0.451 38 I N 4.324 124.689 120.570 -0.341 0.000 2.389 38 I HA 0.238 4.410 4.170 0.004 0.000 0.288 38 I C -0.583 175.452 176.117 -0.137 0.000 0.999 38 I CA -0.804 60.398 61.300 -0.164 0.000 1.129 38 I CB 1.866 39.810 38.000 -0.093 0.000 1.288 38 I HN 0.527 nan 8.210 nan 0.000 0.444 39 D N 4.333 124.678 120.400 -0.091 0.000 2.229 39 D HA 0.462 5.104 4.640 0.004 0.000 0.249 39 D C -0.027 176.252 176.300 -0.034 0.000 1.027 39 D CA -0.029 53.938 54.000 -0.055 0.000 0.923 39 D CB 2.241 43.018 40.800 -0.039 0.000 1.174 39 D HN 0.514 nan 8.370 nan 0.000 0.443 40 T N -2.636 111.905 114.554 -0.022 0.000 2.924 40 T HA 0.200 4.552 4.350 0.004 0.000 0.291 40 T C 1.010 175.704 174.700 -0.011 0.000 1.045 40 T CA -0.812 61.277 62.100 -0.017 0.000 1.015 40 T CB 1.779 70.636 68.868 -0.018 0.000 1.103 40 T HN 0.306 nan 8.240 nan 0.000 0.496 41 D N 0.699 121.092 120.400 -0.012 0.000 2.190 41 D HA -0.209 4.433 4.640 0.004 0.000 0.200 41 D C 0.915 177.211 176.300 -0.007 0.000 0.992 41 D CA 1.257 55.252 54.000 -0.009 0.000 0.854 41 D CB -0.183 40.611 40.800 -0.011 0.000 0.936 41 D HN 0.836 nan 8.370 nan 0.000 0.462 42 E N -0.226 119.969 120.200 -0.008 0.000 2.403 42 E HA 0.290 4.642 4.350 0.004 0.000 0.187 42 E C 1.002 177.602 176.600 0.001 0.000 1.073 42 E CA 0.211 56.608 56.400 -0.005 0.000 0.888 42 E CB -0.028 29.667 29.700 -0.008 0.000 1.035 42 E HN 0.478 nan 8.360 nan 0.000 0.471 43 G N 1.537 110.339 108.800 0.003 0.000 2.153 43 G HA2 -0.292 3.670 3.960 0.004 0.000 0.252 43 G HA3 -0.292 3.670 3.960 0.004 0.000 0.252 43 G C 0.201 175.111 174.900 0.017 0.000 0.994 43 G CA 0.489 45.596 45.100 0.011 0.000 0.698 43 G HN 0.349 nan 8.290 nan 0.000 0.521 44 V N 0.794 120.714 119.914 0.010 0.000 2.383 44 V HA 0.791 4.913 4.120 0.004 0.000 0.275 44 V C 0.214 176.316 176.094 0.014 0.000 1.036 44 V CA 0.405 62.715 62.300 0.017 0.000 0.889 44 V CB 1.571 33.400 31.823 0.010 0.000 0.985 44 V HN 0.315 nan 8.190 nan 0.000 0.459 45 T N 5.953 120.528 114.554 0.035 0.000 2.797 45 T HA 0.741 5.093 4.350 0.004 0.000 0.279 45 T C 0.140 174.871 174.700 0.050 0.000 0.991 45 T CA 0.041 62.149 62.100 0.013 0.000 0.979 45 T CB 1.372 70.266 68.868 0.044 0.000 0.943 45 T HN 1.101 nan 8.240 nan 0.000 0.444 46 G N 1.366 110.151 108.800 -0.026 0.000 2.453 46 G HA2 0.666 4.628 3.960 0.004 0.000 0.323 46 G HA3 0.666 4.628 3.960 0.004 0.000 0.323 46 G C -1.934 172.932 174.900 -0.057 0.000 1.198 46 G CA -0.773 44.358 45.100 0.050 0.000 0.959 46 G HN 0.626 nan 8.290 nan 0.000 0.482 47 W N -0.456 120.849 121.300 0.009 0.000 2.844 47 W HA 0.686 5.348 4.660 0.003 0.000 0.340 47 W C 0.286 176.774 176.519 -0.053 0.000 1.093 47 W CA -0.327 57.003 57.345 -0.025 0.000 1.212 47 W CB 2.930 32.341 29.460 -0.082 0.000 1.422 47 W HN 0.844 nan 8.180 nan 0.000 0.515 48 G N 0.813 109.713 108.800 0.167 0.000 2.672 48 G HA2 0.616 4.578 3.960 0.004 0.000 0.292 48 G HA3 0.616 4.578 3.960 0.004 0.000 0.292 48 G C -2.033 172.871 174.900 0.007 0.000 1.375 48 G CA -0.707 44.439 45.100 0.076 0.000 0.890 48 G HN 0.360 nan 8.290 nan 0.000 0.476 49 E N -0.664 119.541 120.200 0.008 0.000 2.272 49 E HA 0.617 4.969 4.350 0.004 0.000 0.269 49 E C -0.650 176.047 176.600 0.162 0.000 0.877 49 E CA -0.995 55.445 56.400 0.066 0.000 0.755 49 E CB 2.057 31.762 29.700 0.008 0.000 1.192 49 E HN 0.757 nan 8.360 nan 0.000 0.422 50 G N 1.831 110.765 108.800 0.224 0.000 2.666 50 G HA2 0.459 4.421 3.960 0.004 0.000 0.303 50 G HA3 0.459 4.421 3.960 0.004 0.000 0.303 50 G C -1.482 173.577 174.900 0.265 0.000 1.412 50 G CA -0.450 44.791 45.100 0.235 0.000 0.979 50 G HN 0.501 nan 8.290 nan 0.000 0.507 51 C N 4.956 124.418 119.300 0.270 0.000 2.801 51 C HA 0.596 5.058 4.460 0.004 0.000 0.296 51 C C -2.524 172.634 174.990 0.280 0.000 1.054 51 C CA -1.765 57.413 59.018 0.267 0.000 1.442 51 C CB 0.280 28.189 27.740 0.282 0.000 1.860 51 C HN 0.535 nan 8.230 nan 0.000 0.459 52 P HA 0.043 nan 4.420 nan 0.000 0.269 52 P C -0.337 177.113 177.300 0.250 0.000 1.215 52 P CA 0.017 63.264 63.100 0.245 0.000 0.780 52 P CB 0.450 32.237 31.700 0.144 0.000 0.898 53 W N 4.332 125.685 121.300 0.088 0.000 2.081 53 W HA 0.311 4.974 4.660 0.005 0.000 0.433 53 W C 0.463 176.841 176.519 -0.233 0.000 0.876 53 W CA 0.826 58.165 57.345 -0.010 0.000 1.631 53 W CB -0.682 28.664 29.460 -0.189 0.000 1.757 53 W HN 0.716 nan 8.180 nan 0.000 0.298 54 G N 3.509 111.961 108.800 -0.580 0.000 2.641 54 G HA2 -0.402 3.561 3.960 0.004 0.000 0.254 54 G HA3 -0.402 3.561 3.960 0.004 0.000 0.254 54 G C 0.076 174.743 174.900 -0.388 0.000 1.315 54 G CA 0.730 45.304 45.100 -0.876 0.000 0.907 54 G HN 0.872 nan 8.290 nan 0.000 0.572 55 H N -2.523 116.386 119.070 -0.269 0.000 2.672 55 H HA 0.634 5.192 4.556 0.003 0.000 0.277 55 H C 1.699 176.949 175.328 -0.131 0.000 1.074 55 H CA 0.836 56.802 56.048 -0.136 0.000 1.173 55 H CB 0.283 29.986 29.762 -0.098 0.000 1.558 55 H HN 0.370 nan 8.280 nan 0.000 0.539 56 S N -0.731 114.877 115.700 -0.155 0.000 2.540 56 S HA 0.021 4.493 4.470 0.004 0.000 0.222 56 S C 0.952 175.586 174.600 0.057 0.000 1.008 56 S CA -0.289 57.890 58.200 -0.034 0.000 0.939 56 S CB -0.125 63.020 63.200 -0.091 0.000 0.865 56 S HN 0.475 nan 8.310 nan 0.000 0.499 57 Y N 2.096 122.364 120.300 -0.054 0.000 2.301 57 Y HA 0.476 5.028 4.550 0.004 0.000 0.295 57 Y C 0.389 176.292 175.900 0.006 0.000 1.119 57 Y CA 0.564 58.677 58.100 0.022 0.000 1.162 57 Y CB 0.178 38.717 38.460 0.131 0.000 1.046 57 Y HN 0.072 nan 8.280 nan 0.000 0.538 58 L N -0.244 120.905 121.223 -0.124 0.000 2.397 58 L HA 0.402 4.744 4.340 0.004 0.000 0.251 58 L C -2.440 174.347 176.870 -0.138 0.000 1.064 58 L CA -2.384 52.330 54.840 -0.210 0.000 0.859 58 L CB 2.333 44.274 42.059 -0.196 0.000 1.468 58 L HN -0.205 nan 8.230 nan 0.000 0.411 59 P HA 0.245 nan 4.420 nan 0.000 0.249 59 P C -1.292 175.765 177.300 -0.405 0.000 1.737 59 P CA 0.245 63.220 63.100 -0.207 0.000 1.128 59 P CB 0.119 31.705 31.700 -0.189 0.000 1.942 60 A N 2.579 125.096 122.820 -0.504 0.000 2.565 60 A HA 0.663 4.985 4.320 0.004 0.000 0.298 60 A C -1.337 176.050 177.584 -0.329 0.000 1.062 60 A CA -0.704 50.750 52.037 -0.972 0.000 0.723 60 A CB 0.867 19.578 19.000 -0.482 0.000 1.282 60 A HN 0.643 nan 8.150 nan 0.000 0.400 61 H N -1.339 117.457 119.070 -0.456 0.000 3.068 61 H HA 0.640 5.198 4.556 0.004 0.000 0.342 61 H C 0.693 176.077 175.328 0.093 0.000 1.284 61 H CA -0.480 55.529 56.048 -0.064 0.000 1.181 61 H CB 1.210 30.960 29.762 -0.020 0.000 1.898 61 H HN 0.872 nan 8.280 nan 0.000 0.540 62 G N 0.377 109.196 108.800 0.030 0.000 2.402 62 G HA2 -0.082 3.880 3.960 0.004 0.000 0.216 62 G HA3 -0.082 3.880 3.960 0.004 0.000 0.216 62 G C -1.115 173.695 174.900 -0.150 0.000 1.162 62 G CA 0.696 45.782 45.100 -0.023 0.000 0.777 62 G HN 0.480 nan 8.290 nan 0.000 0.539 63 P HA 0.049 nan 4.420 nan 0.000 0.220 63 P C 2.125 179.251 177.300 -0.290 0.000 1.152 63 P CA 1.450 64.424 63.100 -0.210 0.000 0.812 63 P CB -0.308 31.346 31.700 -0.077 0.000 0.792 64 G N -0.028 108.301 108.800 -0.785 0.000 2.432 64 G HA2 -0.236 3.727 3.960 0.004 0.000 0.219 64 G HA3 -0.236 3.727 3.960 0.004 0.000 0.219 64 G C 1.496 176.390 174.900 -0.010 0.000 1.135 64 G CA 0.318 45.217 45.100 -0.335 0.000 0.767 64 G HN 0.241 nan 8.290 nan 0.000 0.550 65 L N -0.350 120.904 121.223 0.052 0.000 2.027 65 L HA 0.031 4.374 4.340 0.004 0.000 0.206 65 L C 3.167 180.023 176.870 -0.022 0.000 1.074 65 L CA 1.037 55.913 54.840 0.060 0.000 0.745 65 L CB -0.134 42.036 42.059 0.185 0.000 0.898 65 L HN 0.137 nan 8.230 nan 0.000 0.433 66 R N -0.694 119.796 120.500 -0.017 0.000 2.092 66 R HA -0.105 4.237 4.340 0.004 0.000 0.231 66 R C 2.271 178.570 176.300 -0.003 0.000 1.119 66 R CA 1.115 57.218 56.100 0.004 0.000 0.970 66 R CB -0.392 29.907 30.300 -0.002 0.000 0.864 66 R HN 0.441 nan 8.270 nan 0.000 0.440 67 A N 0.643 123.446 122.820 -0.028 0.000 1.898 67 A HA -0.065 4.257 4.320 0.004 0.000 0.216 67 A C 2.354 179.893 177.584 -0.075 0.000 1.181 67 A CA 1.678 53.699 52.037 -0.027 0.000 0.620 67 A CB -1.015 17.978 19.000 -0.011 0.000 0.819 67 A HN 0.453 nan 8.150 nan 0.000 0.442 68 G N -0.040 108.690 108.800 -0.118 0.000 2.422 68 G HA2 -0.163 3.799 3.960 0.004 0.000 0.218 68 G HA3 -0.163 3.799 3.960 0.004 0.000 0.218 68 G C 1.502 176.301 174.900 -0.167 0.000 1.146 68 G CA 1.073 46.056 45.100 -0.195 0.000 0.769 68 G HN 0.480 nan 8.290 nan 0.000 0.547 69 I N 1.340 121.837 120.570 -0.123 0.000 2.226 69 I HA -0.173 3.999 4.170 0.004 0.000 0.245 69 I C 3.301 179.250 176.117 -0.280 0.000 1.100 69 I CA 0.874 62.092 61.300 -0.137 0.000 1.374 69 I CB -0.237 37.745 38.000 -0.032 0.000 1.057 69 I HN 0.241 nan 8.210 nan 0.000 0.413 70 A N 0.589 123.289 122.820 -0.200 0.000 1.873 70 A HA -0.261 4.061 4.320 0.004 0.000 0.218 70 A C 2.393 179.835 177.584 -0.236 0.000 1.193 70 A CA 2.755 54.639 52.037 -0.255 0.000 0.629 70 A CB -1.280 17.722 19.000 0.003 0.000 0.826 70 A HN 0.396 nan 8.150 nan 0.000 0.447 71 T N 0.197 114.662 114.554 -0.149 0.000 2.759 71 T HA -0.092 4.260 4.350 0.004 0.000 0.269 71 T C 1.740 176.406 174.700 -0.058 0.000 1.042 71 T CA 1.595 63.634 62.100 -0.102 0.000 1.140 71 T CB -0.309 68.486 68.868 -0.123 0.000 0.864 71 T HN 0.367 nan 8.240 nan 0.000 0.455 72 L N 0.288 121.444 121.223 -0.112 0.000 2.249 72 L HA 0.166 4.508 4.340 0.004 0.000 0.207 72 L C 3.009 179.829 176.870 -0.084 0.000 1.090 72 L CA 0.506 55.322 54.840 -0.041 0.000 0.802 72 L CB -0.682 41.318 42.059 -0.099 0.000 0.947 72 L HN 0.201 nan 8.230 nan 0.000 0.453 73 A N 1.518 124.161 122.820 -0.295 0.000 1.894 73 A HA -0.224 4.099 4.320 0.004 0.000 0.220 73 A C -0.210 177.224 177.584 -0.251 0.000 1.237 73 A CA 2.405 54.209 52.037 -0.389 0.000 0.660 73 A CB -2.088 16.349 19.000 -0.938 0.000 0.835 73 A HN 0.294 nan 8.150 nan 0.000 0.461 74 P HA -0.100 nan 4.420 nan 0.000 0.225 74 P C 0.786 177.809 177.300 -0.462 0.000 1.148 74 P CA 1.229 64.122 63.100 -0.344 0.000 0.779 74 P CB -0.181 31.264 31.700 -0.426 0.000 0.780 75 H N -1.838 117.171 119.070 -0.102 0.000 2.595 75 H HA 0.238 4.796 4.556 0.004 0.000 0.265 75 H C 1.756 177.037 175.328 -0.080 0.000 0.953 75 H CA 0.546 56.544 56.048 -0.083 0.000 1.197 75 H CB 0.041 29.748 29.762 -0.092 0.000 1.438 75 H HN 0.203 nan 8.280 nan 0.000 0.531 76 L N 0.372 121.587 121.223 -0.013 0.000 2.298 76 L HA 0.032 4.375 4.340 0.004 0.000 0.209 76 L C 0.298 177.148 176.870 -0.033 0.000 1.084 76 L CA -0.088 54.734 54.840 -0.029 0.000 0.816 76 L CB 0.032 42.062 42.059 -0.047 0.000 0.967 76 L HN 0.019 nan 8.230 nan 0.000 0.460 77 L N 1.458 122.650 121.223 -0.051 0.000 2.584 77 L HA 0.101 4.443 4.340 0.004 0.000 0.272 77 L C 1.274 178.128 176.870 -0.027 0.000 1.195 77 L CA 1.326 56.144 54.840 -0.038 0.000 0.920 77 L CB -0.399 41.632 42.059 -0.047 0.000 1.173 77 L HN 0.393 nan 8.230 nan 0.000 0.489 78 G N 3.071 111.861 108.800 -0.016 0.000 2.175 78 G HA2 -0.225 3.738 3.960 0.004 0.000 0.244 78 G HA3 -0.225 3.738 3.960 0.004 0.000 0.244 78 G C 0.297 175.199 174.900 0.004 0.000 0.982 78 G CA -0.014 45.081 45.100 -0.009 0.000 0.641 78 G HN 0.454 nan 8.290 nan 0.000 0.527 79 L N 0.870 122.100 121.223 0.012 0.000 2.395 79 L HA 0.383 4.726 4.340 0.004 0.000 0.269 79 L C 0.358 177.239 176.870 0.018 0.000 1.133 79 L CA -0.696 54.168 54.840 0.039 0.000 0.812 79 L CB 0.709 42.795 42.059 0.045 0.000 1.125 79 L HN 0.082 nan 8.230 nan 0.000 0.452 80 D N 4.111 124.525 120.400 0.024 0.000 2.344 80 D HA 0.091 4.733 4.640 0.004 0.000 0.253 80 D C -1.541 174.753 176.300 -0.010 0.000 1.255 80 D CA -1.806 52.190 54.000 -0.007 0.000 0.894 80 D CB 1.298 42.081 40.800 -0.028 0.000 1.067 80 D HN 0.226 nan 8.370 nan 0.000 0.492 81 P HA -0.014 nan 4.420 nan 0.000 0.237 81 P C 0.896 178.139 177.300 -0.096 0.000 1.178 81 P CA 0.359 63.428 63.100 -0.051 0.000 0.766 81 P CB 0.390 32.062 31.700 -0.045 0.000 0.876 82 R N -0.469 119.975 120.500 -0.094 0.000 2.236 82 R HA 0.139 4.482 4.340 0.004 0.000 0.208 82 R C 0.757 176.965 176.300 -0.153 0.000 1.036 82 R CA 0.407 56.427 56.100 -0.133 0.000 1.001 82 R CB -0.134 30.104 30.300 -0.103 0.000 0.896 82 R HN 0.031 nan 8.270 nan 0.000 0.464 83 S N 1.380 117.019 115.700 -0.101 0.000 3.489 83 S HA 0.193 4.665 4.470 0.004 0.000 0.227 83 S C 1.097 175.654 174.600 -0.071 0.000 1.360 83 S CA -0.301 57.855 58.200 -0.074 0.000 0.934 83 S CB 0.304 63.490 63.200 -0.023 0.000 1.410 83 S HN 0.177 nan 8.310 nan 0.000 0.483 84 L N 0.995 122.112 121.223 -0.178 0.000 2.056 84 L HA -0.113 4.230 4.340 0.004 0.000 0.207 84 L C 1.790 178.605 176.870 -0.090 0.000 1.078 84 L CA 1.161 55.877 54.840 -0.207 0.000 0.749 84 L CB -0.407 41.376 42.059 -0.461 0.000 0.901 84 L HN 0.316 nan 8.230 nan 0.000 0.433 85 D N -1.280 119.083 120.400 -0.061 0.000 2.117 85 D HA -0.226 4.416 4.640 0.004 0.000 0.197 85 D C 2.066 178.368 176.300 0.004 0.000 0.987 85 D CA 1.142 55.131 54.000 -0.019 0.000 0.829 85 D CB -0.229 40.562 40.800 -0.015 0.000 0.961 85 D HN 0.344 nan 8.370 nan 0.000 0.460 86 H N 0.588 119.620 119.070 -0.063 0.000 2.321 86 H HA -0.084 4.475 4.556 0.004 0.000 0.300 86 H C 1.963 177.265 175.328 -0.044 0.000 1.087 86 H CA 1.282 57.300 56.048 -0.051 0.000 1.319 86 H CB -0.089 29.641 29.762 -0.053 0.000 1.379 86 H HN -0.022 nan 8.280 nan 0.000 0.501 87 V N 2.167 122.002 119.914 -0.131 0.000 2.278 87 V HA -0.341 3.781 4.120 0.004 0.000 0.251 87 V C 2.356 178.363 176.094 -0.146 0.000 1.062 87 V CA 2.151 64.356 62.300 -0.160 0.000 1.038 87 V CB -0.668 31.113 31.823 -0.069 0.000 0.646 87 V HN 0.560 nan 8.190 nan 0.000 0.447 88 N N -0.200 118.449 118.700 -0.085 0.000 2.166 88 N HA -0.172 4.570 4.740 0.004 0.000 0.186 88 N C 2.052 177.513 175.510 -0.082 0.000 1.019 88 N CA 1.332 54.350 53.050 -0.053 0.000 0.856 88 N CB -0.214 38.269 38.487 -0.007 0.000 0.993 88 N HN 0.502 nan 8.380 nan 0.000 0.426 89 R N 0.610 121.040 120.500 -0.115 0.000 2.096 89 R HA -0.032 4.311 4.340 0.004 0.000 0.235 89 R C 2.209 178.422 176.300 -0.146 0.000 1.127 89 R CA 0.717 56.752 56.100 -0.110 0.000 0.968 89 R CB -0.129 30.116 30.300 -0.091 0.000 0.861 89 R HN 0.048 nan 8.270 nan 0.000 0.440 90 V N 0.963 120.738 119.914 -0.232 0.000 2.379 90 V HA -0.217 3.905 4.120 0.004 0.000 0.245 90 V C 2.281 178.281 176.094 -0.156 0.000 1.044 90 V CA 1.555 63.724 62.300 -0.217 0.000 1.036 90 V CB -0.270 31.382 31.823 -0.284 0.000 0.664 90 V HN 0.318 nan 8.190 nan 0.000 0.453 91 M N -0.327 119.196 119.600 -0.129 0.000 2.108 91 M HA -0.199 4.283 4.480 0.004 0.000 0.261 91 M C 1.896 178.142 176.300 -0.090 0.000 1.066 91 M CA 1.832 57.072 55.300 -0.101 0.000 1.107 91 M CB -0.636 31.923 32.600 -0.067 0.000 1.356 91 M HN 0.324 nan 8.290 nan 0.000 0.406 92 D N 0.488 120.844 120.400 -0.072 0.000 2.178 92 D HA -0.053 4.589 4.640 0.004 0.000 0.202 92 D C 2.060 178.322 176.300 -0.062 0.000 0.974 92 D CA 1.066 55.038 54.000 -0.047 0.000 0.841 92 D CB -0.219 40.565 40.800 -0.026 0.000 0.953 92 D HN 0.330 nan 8.370 nan 0.000 0.478 93 L N 0.431 121.601 121.223 -0.089 0.000 2.056 93 L HA -0.146 4.196 4.340 0.004 0.000 0.207 93 L C 2.297 179.084 176.870 -0.139 0.000 1.078 93 L CA 0.937 55.718 54.840 -0.098 0.000 0.749 93 L CB -0.105 41.893 42.059 -0.102 0.000 0.901 93 L HN -0.049 nan 8.230 nan 0.000 0.433 94 Q N -0.918 118.763 119.800 -0.197 0.000 2.354 94 Q HA 0.123 4.465 4.340 0.004 0.000 0.203 94 Q C -0.024 175.841 176.000 -0.225 0.000 0.933 94 Q CA 0.556 56.177 55.803 -0.303 0.000 0.901 94 Q CB 0.682 29.114 28.738 -0.510 0.000 1.007 94 Q HN 0.208 nan 8.270 nan 0.000 0.495 95 L N 0.985 122.114 121.223 -0.157 0.000 2.595 95 L HA 0.395 4.737 4.340 0.004 0.000 0.259 95 L C -2.874 173.971 176.870 -0.042 0.000 1.033 95 L CA -1.722 53.035 54.840 -0.138 0.000 0.901 95 L CB 1.802 43.734 42.059 -0.212 0.000 1.151 95 L HN -0.219 nan 8.230 nan 0.000 0.453 96 P HA 0.409 nan 4.420 nan 0.000 0.269 96 P C 0.660 178.060 177.300 0.166 0.000 1.215 96 P CA 1.135 64.271 63.100 0.060 0.000 0.780 96 P CB 0.745 32.471 31.700 0.043 0.000 0.898 97 G N 2.175 111.046 108.800 0.118 0.000 2.574 97 G HA2 -0.322 3.640 3.960 0.004 0.000 0.286 97 G HA3 -0.322 3.640 3.960 0.004 0.000 0.286 97 G C -0.469 174.527 174.900 0.161 0.000 1.212 97 G CA 0.516 45.676 45.100 0.101 0.000 0.979 97 G HN 0.723 nan 8.290 nan 0.000 0.557 98 H N -0.864 118.248 119.070 0.069 0.000 2.692 98 H HA -0.136 4.422 4.556 0.004 0.000 0.316 98 H C 1.841 177.139 175.328 -0.050 0.000 1.176 98 H CA 1.247 57.277 56.048 -0.029 0.000 1.142 98 H CB -1.678 27.956 29.762 -0.213 0.000 1.475 98 H HN 0.699 nan 8.280 nan 0.000 0.423 99 S N -0.924 114.881 115.700 0.175 0.000 2.419 99 S HA -0.260 4.212 4.470 0.004 0.000 0.235 99 S C 1.895 176.607 174.600 0.187 0.000 1.019 99 S CA 1.519 59.821 58.200 0.170 0.000 0.982 99 S CB -0.292 63.031 63.200 0.205 0.000 0.789 99 S HN 0.826 nan 8.310 nan 0.000 0.490 100 Y N 0.422 120.798 120.300 0.127 0.000 2.293 100 Y HA 0.020 4.572 4.550 0.004 0.000 0.291 100 Y C 2.008 177.984 175.900 0.126 0.000 1.137 100 Y CA 0.465 58.645 58.100 0.133 0.000 1.202 100 Y CB -0.827 37.716 38.460 0.137 0.000 0.990 100 Y HN 0.010 nan 8.280 nan 0.000 0.537 101 V N 1.339 121.002 119.914 -0.419 0.000 2.358 101 V HA -0.249 3.873 4.120 0.004 0.000 0.246 101 V C 2.250 178.295 176.094 -0.082 0.000 1.047 101 V CA 2.268 64.400 62.300 -0.281 0.000 1.035 101 V CB -0.587 31.016 31.823 -0.367 0.000 0.658 101 V HN 0.394 nan 8.190 nan 0.000 0.452 102 K N -0.068 120.308 120.400 -0.040 0.000 2.155 102 K HA -0.089 4.234 4.320 0.004 0.000 0.203 102 K C 2.474 179.108 176.600 0.057 0.000 1.052 102 K CA 1.273 57.565 56.287 0.008 0.000 0.948 102 K CB -0.316 32.198 32.500 0.022 0.000 0.728 102 K HN 0.373 nan 8.250 nan 0.000 0.448 103 S N 1.461 117.215 115.700 0.089 0.000 2.359 103 S HA -0.085 4.387 4.470 0.004 0.000 0.222 103 S C -0.838 173.829 174.600 0.111 0.000 1.038 103 S CA 1.427 59.696 58.200 0.115 0.000 1.051 103 S CB -0.807 62.478 63.200 0.142 0.000 0.944 103 S HN 0.074 nan 8.310 nan 0.000 0.433 104 P HA -0.041 nan 4.420 nan 0.000 0.220 104 P C 1.437 178.791 177.300 0.089 0.000 1.148 104 P CA 1.055 64.218 63.100 0.105 0.000 0.803 104 P CB -0.243 31.529 31.700 0.119 0.000 0.782 105 I N 0.399 121.011 120.570 0.070 0.000 2.202 105 I HA -0.218 3.954 4.170 0.004 0.000 0.242 105 I C 2.397 178.560 176.117 0.077 0.000 1.091 105 I CA 1.943 63.273 61.300 0.050 0.000 1.368 105 I CB -0.854 37.156 38.000 0.017 0.000 1.058 105 I HN -0.037 nan 8.210 nan 0.000 0.410 106 D N 0.801 121.266 120.400 0.108 0.000 2.144 106 D HA -0.248 4.394 4.640 0.004 0.000 0.200 106 D C 2.321 178.795 176.300 0.289 0.000 0.978 106 D CA 1.196 55.304 54.000 0.181 0.000 0.833 106 D CB 0.001 40.921 40.800 0.200 0.000 0.961 106 D HN 0.169 nan 8.370 nan 0.000 0.470 107 M N 0.003 119.728 119.600 0.208 0.000 2.082 107 M HA -0.213 4.269 4.480 0.004 0.000 0.258 107 M C 2.089 178.504 176.300 0.191 0.000 1.069 107 M CA 2.059 57.468 55.300 0.182 0.000 1.102 107 M CB -0.132 32.535 32.600 0.111 0.000 1.336 107 M HN 0.161 nan 8.290 nan 0.000 0.404 108 A N -0.772 122.130 122.820 0.137 0.000 1.972 108 A HA -0.182 4.140 4.320 0.004 0.000 0.219 108 A C 2.139 179.778 177.584 0.091 0.000 1.169 108 A CA 1.767 53.866 52.037 0.103 0.000 0.635 108 A CB -1.315 17.710 19.000 0.041 0.000 0.810 108 A HN 0.736 nan 8.150 nan 0.000 0.446 109 C N -3.107 116.246 119.300 0.089 0.000 2.457 109 C HA -0.084 4.378 4.460 0.004 0.000 0.278 109 C C 2.316 177.316 174.990 0.017 0.000 1.309 109 C CA 0.214 59.242 59.018 0.017 0.000 1.735 109 C CB -1.748 25.970 27.740 -0.036 0.000 1.992 109 C HN 0.832 nan 8.230 nan 0.000 0.493 110 W N 1.415 122.706 121.300 -0.014 0.000 2.338 110 W HA -0.160 4.502 4.660 0.004 0.000 0.304 110 W C 2.308 178.800 176.519 -0.045 0.000 1.212 110 W CA 1.870 59.197 57.345 -0.030 0.000 1.264 110 W CB -0.454 28.989 29.460 -0.028 0.000 1.142 110 W HN 0.342 nan 8.180 nan 0.000 0.512 111 D N 0.143 120.669 120.400 0.210 0.000 2.097 111 D HA -0.188 4.454 4.640 0.004 0.000 0.195 111 D C 1.901 178.244 176.300 0.072 0.000 0.989 111 D CA 1.647 55.719 54.000 0.120 0.000 0.827 111 D CB -0.432 40.446 40.800 0.130 0.000 0.966 111 D HN 0.119 nan 8.370 nan 0.000 0.456 112 I N 0.049 120.650 120.570 0.050 0.000 2.127 112 I HA -0.259 3.913 4.170 0.004 0.000 0.241 112 I C 2.443 178.551 176.117 -0.016 0.000 1.075 112 I CA 0.718 62.024 61.300 0.011 0.000 1.334 112 I CB -0.305 37.690 38.000 -0.009 0.000 1.040 112 I HN 0.120 nan 8.210 nan 0.000 0.405 113 L N 1.065 122.260 121.223 -0.046 0.000 2.042 113 L HA -0.116 4.226 4.340 0.004 0.000 0.210 113 L C 2.310 179.151 176.870 -0.049 0.000 1.076 113 L CA 2.318 57.104 54.840 -0.090 0.000 0.749 113 L CB -1.282 40.649 42.059 -0.212 0.000 0.893 113 L HN 0.219 nan 8.230 nan 0.000 0.432 114 G N -1.636 107.162 108.800 -0.004 0.000 2.422 114 G HA2 -0.250 3.712 3.960 0.004 0.000 0.218 114 G HA3 -0.250 3.712 3.960 0.004 0.000 0.218 114 G C 1.473 176.355 174.900 -0.030 0.000 1.146 114 G CA 0.722 45.812 45.100 -0.016 0.000 0.769 114 G HN 0.544 nan 8.290 nan 0.000 0.547 115 Q N -0.338 119.456 119.800 -0.011 0.000 2.079 115 Q HA -0.018 4.324 4.340 0.004 0.000 0.200 115 Q C 2.848 178.839 176.000 -0.016 0.000 0.974 115 Q CA 1.152 56.951 55.803 -0.006 0.000 0.840 115 Q CB -0.145 28.602 28.738 0.014 0.000 0.898 115 Q HN 0.377 nan 8.270 nan 0.000 0.430 116 V N 0.774 120.675 119.914 -0.023 0.000 2.358 116 V HA -0.231 3.891 4.120 0.004 0.000 0.246 116 V C 2.113 178.186 176.094 -0.035 0.000 1.047 116 V CA 1.799 64.082 62.300 -0.029 0.000 1.035 116 V CB -0.740 31.060 31.823 -0.038 0.000 0.658 116 V HN 0.374 nan 8.190 nan 0.000 0.452 117 A N -0.542 122.253 122.820 -0.043 0.000 2.119 117 A HA 0.295 4.617 4.320 0.004 0.000 0.216 117 A C 2.010 179.566 177.584 -0.046 0.000 1.152 117 A CA 1.123 53.132 52.037 -0.047 0.000 0.708 117 A CB -0.629 18.337 19.000 -0.056 0.000 0.805 117 A HN 1.286 nan 8.150 nan 0.000 0.460 118 G N -1.348 107.426 108.800 -0.044 0.000 2.176 118 G HA2 -0.201 3.761 3.960 0.004 0.000 0.252 118 G HA3 -0.201 3.761 3.960 0.004 0.000 0.252 118 G C -0.139 174.719 174.900 -0.071 0.000 1.024 118 G CA 0.571 45.644 45.100 -0.044 0.000 0.755 118 G HN 0.584 nan 8.290 nan 0.000 0.507 119 L N 0.143 121.308 121.223 -0.097 0.000 2.422 119 L HA 0.546 4.888 4.340 0.004 0.000 0.264 119 L C -2.127 174.610 176.870 -0.222 0.000 0.984 119 L CA -2.589 52.147 54.840 -0.172 0.000 0.819 119 L CB 2.726 44.682 42.059 -0.171 0.000 1.330 119 L HN -0.113 nan 8.230 nan 0.000 0.410 120 P HA 0.135 nan 4.420 nan 0.000 0.272 120 P C 0.738 177.757 177.300 -0.469 0.000 1.230 120 P CA -0.386 62.466 63.100 -0.414 0.000 0.788 120 P CB 1.160 32.499 31.700 -0.601 0.000 0.949 121 L N 0.573 121.500 121.223 -0.495 0.000 2.131 121 L HA -0.132 4.210 4.340 0.004 0.000 0.210 121 L C 2.629 179.431 176.870 -0.114 0.000 1.092 121 L CA 1.601 56.227 54.840 -0.356 0.000 0.759 121 L CB -1.001 40.678 42.059 -0.633 0.000 0.903 121 L HN 0.587 nan 8.230 nan 0.000 0.435 122 W N 0.543 121.936 121.300 0.155 0.000 2.425 122 W HA -0.179 4.483 4.660 0.004 0.000 0.277 122 W C 1.992 178.566 176.519 0.091 0.000 1.231 122 W CA 0.740 58.182 57.345 0.162 0.000 1.248 122 W CB -0.704 28.875 29.460 0.198 0.000 1.117 122 W HN 0.300 nan 8.180 nan 0.000 0.568 123 Q N 1.175 120.807 119.800 -0.281 0.000 2.163 123 Q HA -0.052 4.290 4.340 0.004 0.000 0.198 123 Q C 2.520 178.495 176.000 -0.041 0.000 0.954 123 Q CA 1.021 56.701 55.803 -0.205 0.000 0.851 123 Q CB -0.267 28.093 28.738 -0.629 0.000 0.928 123 Q HN 0.317 nan 8.270 nan 0.000 0.459 124 L N 0.450 121.647 121.223 -0.043 0.000 2.131 124 L HA -0.166 4.176 4.340 0.004 0.000 0.210 124 L C 1.723 178.703 176.870 0.183 0.000 1.092 124 L CA 0.788 55.691 54.840 0.105 0.000 0.759 124 L CB -0.125 42.076 42.059 0.236 0.000 0.903 124 L HN 0.300 nan 8.230 nan 0.000 0.435 125 L N -0.600 120.700 121.223 0.128 0.000 2.612 125 L HA 0.148 4.490 4.340 0.004 0.000 0.230 125 L C 1.414 178.359 176.870 0.126 0.000 1.140 125 L CA 0.533 55.434 54.840 0.102 0.000 0.896 125 L CB -0.240 41.824 42.059 0.008 0.000 1.065 125 L HN 0.429 nan 8.230 nan 0.000 0.447 126 G N -0.636 108.248 108.800 0.140 0.000 2.175 126 G HA2 -0.218 3.745 3.960 0.004 0.000 0.244 126 G HA3 -0.218 3.745 3.960 0.004 0.000 0.244 126 G C 0.581 175.586 174.900 0.175 0.000 0.982 126 G CA -0.266 44.915 45.100 0.134 0.000 0.641 126 G HN 0.511 nan 8.290 nan 0.000 0.527 127 G N 0.103 109.068 108.800 0.275 0.000 2.503 127 G HA2 0.532 4.495 3.960 0.004 0.000 0.257 127 G HA3 0.532 4.495 3.960 0.004 0.000 0.257 127 G C 0.823 175.922 174.900 0.332 0.000 1.214 127 G CA 0.623 45.895 45.100 0.287 0.000 0.839 127 G HN 0.764 nan 8.290 nan 0.000 0.559 128 E N 0.420 120.725 120.200 0.175 0.000 2.158 128 E HA 0.335 4.687 4.350 0.004 0.000 0.191 128 E C 0.967 177.658 176.600 0.152 0.000 0.982 128 E CA 0.807 57.309 56.400 0.169 0.000 0.823 128 E CB 0.203 29.948 29.700 0.074 0.000 0.766 128 E HN 0.538 nan 8.360 nan 0.000 0.468 129 A N 0.470 123.184 122.820 -0.177 0.000 2.594 129 A HA 0.684 5.007 4.320 0.004 0.000 0.291 129 A C -0.915 175.830 177.584 -1.398 0.000 1.105 129 A CA -0.426 51.228 52.037 -0.637 0.000 0.694 129 A CB 1.489 20.304 19.000 -0.307 0.000 1.291 129 A HN 0.242 nan 8.150 nan 0.000 0.410 130 A N 1.532 123.387 122.820 -1.608 0.000 2.981 130 A HA 0.497 4.819 4.320 0.004 0.000 0.280 130 A C 0.518 177.728 177.584 -0.623 0.000 1.797 130 A CA 0.282 51.523 52.037 -1.327 0.000 1.456 130 A CB -1.532 17.032 19.000 -0.727 0.000 1.057 130 A HN 0.767 nan 8.150 nan 0.000 0.602 131 T N 3.964 118.214 114.554 -0.506 0.000 2.888 131 T HA 0.294 4.646 4.350 0.004 0.000 0.301 131 T C -2.482 172.087 174.700 -0.219 0.000 1.001 131 T CA -0.304 61.625 62.100 -0.285 0.000 1.147 131 T CB 0.451 69.197 68.868 -0.204 0.000 0.931 131 T HN 0.342 nan 8.240 nan 0.000 0.541 132 P HA 0.226 nan 4.420 nan 0.000 0.271 132 P C -0.802 176.435 177.300 -0.105 0.000 1.233 132 P CA -0.271 62.753 63.100 -0.128 0.000 0.764 132 P CB 0.338 31.975 31.700 -0.106 0.000 0.825 133 V N 7.419 127.276 119.914 -0.095 0.000 2.407 133 V HA 0.287 4.409 4.120 0.004 0.000 0.278 133 V C -2.008 174.051 176.094 -0.057 0.000 1.037 133 V CA -2.196 60.062 62.300 -0.070 0.000 0.900 133 V CB 1.235 33.025 31.823 -0.056 0.000 0.983 133 V HN 0.442 nan 8.190 nan 0.000 0.459 134 P HA 0.167 nan 4.420 nan 0.000 0.268 134 P C -0.665 176.625 177.300 -0.015 0.000 1.204 134 P CA 0.047 63.118 63.100 -0.049 0.000 0.768 134 P CB 0.386 32.057 31.700 -0.048 0.000 0.842 135 I N 2.906 123.470 120.570 -0.010 0.000 2.498 135 I HA 0.318 4.491 4.170 0.004 0.000 0.301 135 I C 0.801 177.034 176.117 0.194 0.000 0.984 135 I CA -0.700 60.645 61.300 0.075 0.000 1.204 135 I CB 1.143 39.168 38.000 0.041 0.000 1.362 135 I HN 0.494 nan 8.210 nan 0.000 0.471 136 N N 2.048 120.867 118.700 0.199 0.000 2.292 136 N HA 0.551 5.293 4.740 0.004 0.000 0.303 136 N C -0.620 174.861 175.510 -0.049 0.000 1.140 136 N CA -0.663 52.449 53.050 0.103 0.000 0.788 136 N CB 1.963 40.429 38.487 -0.034 0.000 1.361 136 N HN 0.550 nan 8.380 nan 0.000 0.489 137 S N 0.881 116.371 115.700 -0.349 0.000 2.632 137 S HA 0.324 4.796 4.470 0.004 0.000 0.267 137 S C -0.153 174.338 174.600 -0.182 0.000 1.276 137 S CA -0.690 57.167 58.200 -0.571 0.000 0.998 137 S CB 1.226 64.100 63.200 -0.544 0.000 0.953 137 S HN 0.529 nan 8.310 nan 0.000 0.547 138 S N 1.125 116.775 115.700 -0.083 0.000 2.456 138 S HA 0.537 5.009 4.470 0.004 0.000 0.316 138 S C -0.748 173.829 174.600 -0.038 0.000 1.089 138 S CA -0.751 57.412 58.200 -0.062 0.000 1.101 138 S CB 0.153 63.370 63.200 0.029 0.000 0.995 138 S HN 0.565 nan 8.310 nan 0.000 0.468 139 I N 3.099 123.628 120.570 -0.068 0.000 2.330 139 I HA 0.329 4.501 4.170 0.004 0.000 0.289 139 I C 0.776 176.869 176.117 -0.039 0.000 1.001 139 I CA -0.352 60.925 61.300 -0.039 0.000 1.193 139 I CB 1.062 39.038 38.000 -0.040 0.000 1.345 139 I HN 0.462 nan 8.210 nan 0.000 0.461 140 S N 4.054 119.745 115.700 -0.014 0.000 2.603 140 S HA 0.196 4.668 4.470 0.004 0.000 0.268 140 S C 0.406 175.002 174.600 -0.008 0.000 1.317 140 S CA -0.089 58.103 58.200 -0.014 0.000 1.012 140 S CB 0.722 63.927 63.200 0.008 0.000 0.926 140 S HN 0.711 nan 8.310 nan 0.000 0.539 141 T N 2.189 116.738 114.554 -0.008 0.000 2.870 141 T HA 0.562 4.915 4.350 0.004 0.000 0.300 141 T C 0.322 175.030 174.700 0.014 0.000 0.989 141 T CA 0.446 62.549 62.100 0.005 0.000 1.139 141 T CB -0.354 68.515 68.868 0.001 0.000 0.920 141 T HN 0.824 nan 8.240 nan 0.000 0.537 142 G N 2.876 111.689 108.800 0.021 0.000 2.664 142 G HA2 0.556 4.518 3.960 0.004 0.000 0.303 142 G HA3 0.556 4.518 3.960 0.004 0.000 0.303 142 G C -0.185 174.730 174.900 0.026 0.000 1.243 142 G CA -0.086 45.027 45.100 0.020 0.000 0.826 142 G HN 0.931 nan 8.290 nan 0.000 0.498 143 T N -0.564 114.003 114.554 0.021 0.000 2.868 143 T HA 0.474 4.826 4.350 0.004 0.000 0.292 143 T C -1.317 173.398 174.700 0.026 0.000 1.028 143 T CA -0.679 61.435 62.100 0.022 0.000 1.059 143 T CB 1.733 70.611 68.868 0.016 0.000 0.991 143 T HN 0.117 nan 8.240 nan 0.000 0.531 144 P HA -0.191 nan 4.420 nan 0.000 0.216 144 P C 0.983 178.296 177.300 0.023 0.000 1.167 144 P CA 1.840 64.959 63.100 0.031 0.000 0.914 144 P CB -0.199 31.516 31.700 0.025 0.000 0.793 145 D N -1.090 119.318 120.400 0.014 0.000 2.178 145 D HA -0.172 4.470 4.640 0.004 0.000 0.202 145 D C 1.965 178.268 176.300 0.006 0.000 0.974 145 D CA 0.906 54.911 54.000 0.008 0.000 0.841 145 D CB -1.053 39.750 40.800 0.005 0.000 0.953 145 D HN 0.281 nan 8.370 nan 0.000 0.478 146 Q N 0.006 119.811 119.800 0.008 0.000 2.014 146 Q HA -0.171 4.171 4.340 0.004 0.000 0.207 146 Q C 2.291 178.293 176.000 0.003 0.000 0.993 146 Q CA 1.673 57.480 55.803 0.006 0.000 0.850 146 Q CB -0.251 28.492 28.738 0.009 0.000 0.916 146 Q HN 0.367 nan 8.270 nan 0.000 0.417 147 M N -0.181 119.425 119.600 0.010 0.000 2.149 147 M HA -0.191 4.291 4.480 0.004 0.000 0.261 147 M C 2.009 178.302 176.300 -0.012 0.000 1.064 147 M CA 0.954 56.258 55.300 0.007 0.000 1.102 147 M CB -0.212 32.407 32.600 0.031 0.000 1.369 147 M HN 0.179 nan 8.290 nan 0.000 0.408 148 L N 0.149 121.368 121.223 -0.007 0.000 2.201 148 L HA -0.020 4.322 4.340 0.004 0.000 0.212 148 L C 2.403 179.252 176.870 -0.034 0.000 1.105 148 L CA 1.536 56.361 54.840 -0.024 0.000 0.775 148 L CB -1.084 40.969 42.059 -0.009 0.000 0.913 148 L HN 0.252 nan 8.230 nan 0.000 0.440 149 G N -1.231 107.557 108.800 -0.020 0.000 2.395 149 G HA2 -0.158 3.804 3.960 0.004 0.000 0.214 149 G HA3 -0.158 3.804 3.960 0.004 0.000 0.214 149 G C 1.580 176.470 174.900 -0.018 0.000 1.177 149 G CA 0.459 45.549 45.100 -0.016 0.000 0.794 149 G HN 0.348 nan 8.290 nan 0.000 0.532 150 L N 0.046 121.258 121.223 -0.019 0.000 2.187 150 L HA -0.007 4.335 4.340 0.004 0.000 0.213 150 L C 2.701 179.550 176.870 -0.036 0.000 1.100 150 L CA 0.568 55.397 54.840 -0.018 0.000 0.765 150 L CB -0.250 41.800 42.059 -0.015 0.000 0.904 150 L HN 0.194 nan 8.230 nan 0.000 0.437 151 I N -0.579 119.943 120.570 -0.080 0.000 2.277 151 I HA -0.189 3.983 4.170 0.004 0.000 0.243 151 I C 2.746 178.792 176.117 -0.119 0.000 1.094 151 I CA 0.960 62.151 61.300 -0.182 0.000 1.393 151 I CB -0.337 37.489 38.000 -0.289 0.000 1.078 151 I HN 0.148 nan 8.210 nan 0.000 0.417 152 A N 0.352 123.129 122.820 -0.072 0.000 1.948 152 A HA -0.318 4.004 4.320 0.004 0.000 0.220 152 A C 2.220 179.817 177.584 0.023 0.000 1.177 152 A CA 2.315 54.334 52.037 -0.029 0.000 0.636 152 A CB -0.711 18.274 19.000 -0.026 0.000 0.815 152 A HN 0.530 nan 8.150 nan 0.000 0.449 153 E N -0.240 119.976 120.200 0.026 0.000 2.017 153 E HA -0.097 4.256 4.350 0.004 0.000 0.193 153 E C 2.174 178.847 176.600 0.122 0.000 0.997 153 E CA 1.311 57.744 56.400 0.056 0.000 0.804 153 E CB -0.369 29.354 29.700 0.037 0.000 0.757 153 E HN 0.496 nan 8.360 nan 0.000 0.448 154 A N 1.048 123.959 122.820 0.152 0.000 1.908 154 A HA -0.178 4.145 4.320 0.004 0.000 0.218 154 A C 2.417 180.265 177.584 0.440 0.000 1.181 154 A CA 2.143 54.374 52.037 0.322 0.000 0.627 154 A CB -1.003 18.143 19.000 0.245 0.000 0.818 154 A HN 0.456 nan 8.150 nan 0.000 0.445 155 A N -0.310 122.728 122.820 0.363 0.000 1.933 155 A HA 0.176 4.498 4.320 0.004 0.000 0.218 155 A C 2.475 180.202 177.584 0.238 0.000 1.175 155 A CA 1.986 54.270 52.037 0.410 0.000 0.628 155 A CB -0.922 18.279 19.000 0.335 0.000 0.814 155 A HN 1.084 nan 8.150 nan 0.000 0.444 156 A N -0.807 122.106 122.820 0.154 0.000 1.933 156 A HA -0.187 4.135 4.320 0.004 0.000 0.218 156 A C 2.034 179.663 177.584 0.076 0.000 1.175 156 A CA 1.622 53.715 52.037 0.093 0.000 0.628 156 A CB -0.474 18.564 19.000 0.064 0.000 0.814 156 A HN 0.621 nan 8.150 nan 0.000 0.444 157 Q N -1.882 117.983 119.800 0.108 0.000 2.436 157 Q HA 0.202 4.544 4.340 0.004 0.000 0.209 157 Q C 1.194 177.141 176.000 -0.089 0.000 0.965 157 Q CA 0.673 56.501 55.803 0.042 0.000 0.910 157 Q CB 0.025 28.848 28.738 0.141 0.000 0.980 157 Q HN 0.905 nan 8.270 nan 0.000 0.491 158 G N -0.915 107.866 108.800 -0.032 0.000 2.184 158 G HA2 -0.256 3.706 3.960 0.004 0.000 0.206 158 G HA3 -0.256 3.706 3.960 0.004 0.000 0.206 158 G C -0.442 174.342 174.900 -0.193 0.000 0.995 158 G CA -0.579 44.451 45.100 -0.117 0.000 0.651 158 G HN 0.285 nan 8.290 nan 0.000 0.511 159 Y N 0.758 121.045 120.300 -0.021 0.000 2.442 159 Y HA 0.454 5.006 4.550 0.004 0.000 0.330 159 Y C 1.903 177.623 175.900 -0.300 0.000 1.129 159 Y CA 0.287 58.306 58.100 -0.136 0.000 1.365 159 Y CB 0.610 39.012 38.460 -0.096 0.000 1.233 159 Y HN 0.097 nan 8.280 nan 0.000 0.529 160 R N 0.701 121.007 120.500 -0.325 0.000 2.476 160 R HA 0.198 4.540 4.340 0.004 0.000 0.276 160 R C -0.441 175.549 176.300 -0.517 0.000 0.941 160 R CA 0.104 55.816 56.100 -0.648 0.000 1.088 160 R CB 0.667 30.659 30.300 -0.513 0.000 1.216 160 R HN 0.503 nan 8.270 nan 0.000 0.533 161 T N 1.070 115.309 114.554 -0.524 0.000 2.876 161 T HA 0.405 4.757 4.350 0.004 0.000 0.289 161 T C -0.986 173.341 174.700 -0.621 0.000 1.014 161 T CA -0.628 61.242 62.100 -0.384 0.000 0.986 161 T CB 1.976 70.770 68.868 -0.123 0.000 1.021 161 T HN 0.098 nan 8.240 nan 0.000 0.458 162 H N 0.655 119.699 119.070 -0.043 0.000 2.679 162 H HA 0.502 5.060 4.556 0.004 0.000 0.360 162 H C -0.643 174.574 175.328 -0.184 0.000 1.105 162 H CA -0.650 55.336 56.048 -0.105 0.000 1.196 162 H CB 2.029 31.749 29.762 -0.070 0.000 1.636 162 H HN 0.555 nan 8.280 nan 0.000 0.531 163 S N 2.251 117.880 115.700 -0.120 0.000 2.474 163 S HA 0.532 5.004 4.470 0.004 0.000 0.320 163 S C -0.091 174.400 174.600 -0.183 0.000 1.067 163 S CA -0.684 57.385 58.200 -0.218 0.000 1.127 163 S CB -0.296 62.711 63.200 -0.321 0.000 0.971 163 S HN 0.734 nan 8.310 nan 0.000 0.472 164 A N 5.914 128.626 122.820 -0.179 0.000 2.354 164 A HA 0.505 4.827 4.320 0.004 0.000 0.281 164 A C 0.057 177.612 177.584 -0.048 0.000 1.174 164 A CA -0.608 51.381 52.037 -0.081 0.000 0.828 164 A CB 0.243 19.231 19.000 -0.020 0.000 1.099 164 A HN 0.709 nan 8.150 nan 0.000 0.516 165 K N 3.341 123.700 120.400 -0.068 0.000 2.349 165 K HA 0.355 4.677 4.320 0.004 0.000 0.289 165 K C 0.146 176.726 176.600 -0.033 0.000 1.064 165 K CA 0.272 56.507 56.287 -0.087 0.000 0.947 165 K CB 0.163 32.599 32.500 -0.107 0.000 1.007 165 K HN 0.756 nan 8.250 nan 0.000 0.478 166 I N -2.167 118.369 120.570 -0.056 0.000 3.617 166 I HA 0.873 5.046 4.170 0.004 0.000 0.283 166 I C 0.146 176.166 176.117 -0.162 0.000 1.160 166 I CA -1.002 60.273 61.300 -0.041 0.000 1.084 166 I CB 2.223 40.243 38.000 0.035 0.000 1.365 166 I HN 0.541 nan 8.210 nan 0.000 0.494 167 G N -0.908 107.827 108.800 -0.108 0.000 2.465 167 G HA2 0.515 4.477 3.960 0.004 0.000 0.681 167 G HA3 0.515 4.477 3.960 0.004 0.000 0.681 167 G C -0.641 174.333 174.900 0.123 0.000 1.340 167 G CA -0.191 44.812 45.100 -0.160 0.000 0.884 167 G HN 2.045 nan 8.290 nan 0.000 0.650 168 G N -1.342 107.612 108.800 0.256 0.000 2.352 168 G HA2 0.547 4.509 3.960 0.004 0.000 0.283 168 G HA3 0.547 4.509 3.960 0.004 0.000 0.283 168 G C 0.455 175.499 174.900 0.240 0.000 1.308 168 G CA 0.575 45.798 45.100 0.205 0.000 0.892 168 G HN 1.669 nan 8.290 nan 0.000 0.504 169 S N -0.313 115.466 115.700 0.131 0.000 2.556 169 S HA 0.239 4.711 4.470 0.004 0.000 0.216 169 S C 0.054 174.678 174.600 0.039 0.000 0.970 169 S CA 0.241 58.491 58.200 0.083 0.000 0.912 169 S CB 0.069 63.301 63.200 0.054 0.000 0.790 169 S HN 0.479 nan 8.310 nan 0.000 0.504 170 D N 1.673 122.105 120.400 0.054 0.000 2.477 170 D HA 0.273 4.915 4.640 0.004 0.000 0.239 170 D C -2.031 174.265 176.300 -0.007 0.000 1.102 170 D CA -2.141 51.871 54.000 0.019 0.000 0.901 170 D CB 1.476 42.295 40.800 0.031 0.000 1.026 170 D HN 0.005 nan 8.370 nan 0.000 0.515 171 P HA -0.154 nan 4.420 nan 0.000 0.216 171 P C 1.147 178.399 177.300 -0.080 0.000 1.150 171 P CA 1.107 64.129 63.100 -0.130 0.000 0.843 171 P CB 0.305 31.914 31.700 -0.151 0.000 0.787 172 A N 0.344 123.135 122.820 -0.048 0.000 1.933 172 A HA -0.253 4.069 4.320 0.004 0.000 0.218 172 A C 2.223 179.798 177.584 -0.015 0.000 1.175 172 A CA 1.806 53.822 52.037 -0.034 0.000 0.628 172 A CB -1.196 17.790 19.000 -0.024 0.000 0.814 172 A HN 0.390 nan 8.150 nan 0.000 0.444 173 Q N -1.122 118.682 119.800 0.006 0.000 2.187 173 Q HA -0.097 4.246 4.340 0.004 0.000 0.199 173 Q C 0.831 176.856 176.000 0.042 0.000 0.957 173 Q CA 1.161 56.979 55.803 0.025 0.000 0.857 173 Q CB -0.313 28.447 28.738 0.036 0.000 0.929 173 Q HN 0.456 nan 8.270 nan 0.000 0.453 174 D N 1.274 121.715 120.400 0.067 0.000 2.194 174 D HA 0.024 4.666 4.640 0.004 0.000 0.204 174 D C 1.942 178.256 176.300 0.023 0.000 0.964 174 D CA 0.556 54.627 54.000 0.118 0.000 0.846 174 D CB 0.064 41.061 40.800 0.328 0.000 0.962 174 D HN 0.243 nan 8.370 nan 0.000 0.490 175 I N 1.296 121.850 120.570 -0.027 0.000 2.127 175 I HA -0.292 3.880 4.170 0.004 0.000 0.241 175 I C 2.507 178.596 176.117 -0.047 0.000 1.075 175 I CA 1.166 62.428 61.300 -0.062 0.000 1.334 175 I CB -0.190 37.768 38.000 -0.069 0.000 1.040 175 I HN -0.079 nan 8.210 nan 0.000 0.405 176 A N 0.612 123.420 122.820 -0.021 0.000 1.873 176 A HA -0.290 4.032 4.320 0.004 0.000 0.218 176 A C 2.327 179.913 177.584 0.003 0.000 1.193 176 A CA 2.087 54.120 52.037 -0.007 0.000 0.629 176 A CB -0.714 18.287 19.000 0.002 0.000 0.826 176 A HN 0.259 nan 8.150 nan 0.000 0.447 177 R N -0.527 119.981 120.500 0.014 0.000 2.112 177 R HA -0.146 4.196 4.340 0.004 0.000 0.242 177 R C 2.031 178.347 176.300 0.026 0.000 1.137 177 R CA 2.130 58.253 56.100 0.039 0.000 0.944 177 R CB -0.606 29.728 30.300 0.057 0.000 0.857 177 R HN 0.644 nan 8.270 nan 0.000 0.435 178 I N 0.623 121.117 120.570 -0.127 0.000 2.179 178 I HA -0.293 3.880 4.170 0.004 0.000 0.242 178 I C 2.234 178.300 176.117 -0.084 0.000 1.088 178 I CA 1.756 62.834 61.300 -0.369 0.000 1.357 178 I CB -0.395 37.237 38.000 -0.612 0.000 1.051 178 I HN 0.365 nan 8.210 nan 0.000 0.409 179 E N 1.438 121.609 120.200 -0.049 0.000 2.152 179 E HA -0.142 4.210 4.350 0.004 0.000 0.192 179 E C 2.196 178.822 176.600 0.043 0.000 0.983 179 E CA 1.102 57.504 56.400 0.002 0.000 0.818 179 E CB -0.303 29.389 29.700 -0.012 0.000 0.758 179 E HN 0.464 nan 8.360 nan 0.000 0.467 180 A N 1.969 124.816 122.820 0.045 0.000 1.855 180 A HA -0.088 4.234 4.320 0.004 0.000 0.215 180 A C 2.283 179.915 177.584 0.081 0.000 1.191 180 A CA 1.170 53.238 52.037 0.051 0.000 0.613 180 A CB -0.633 18.391 19.000 0.040 0.000 0.829 180 A HN 0.210 nan 8.150 nan 0.000 0.442 181 I N -0.632 120.022 120.570 0.139 0.000 2.252 181 I HA -0.189 3.983 4.170 0.004 0.000 0.245 181 I C 2.752 178.980 176.117 0.185 0.000 1.102 181 I CA 1.511 62.912 61.300 0.168 0.000 1.385 181 I CB -0.158 38.019 38.000 0.294 0.000 1.064 181 I HN 0.387 nan 8.210 nan 0.000 0.414 182 S N 0.204 116.067 115.700 0.272 0.000 2.453 182 S HA -0.031 4.441 4.470 0.004 0.000 0.231 182 S C 1.975 176.653 174.600 0.130 0.000 1.005 182 S CA 1.190 59.543 58.200 0.254 0.000 0.949 182 S CB -0.030 63.350 63.200 0.300 0.000 0.774 182 S HN 0.458 nan 8.310 nan 0.000 0.510 183 A N 0.205 123.081 122.820 0.093 0.000 1.956 183 A HA 0.455 4.777 4.320 0.004 0.000 0.212 183 A C 1.840 179.444 177.584 0.032 0.000 1.188 183 A CA 0.750 52.820 52.037 0.054 0.000 0.675 183 A CB -0.750 18.274 19.000 0.041 0.000 0.845 183 A HN 0.542 nan 8.150 nan 0.000 0.455 184 G N -0.117 108.699 108.800 0.027 0.000 3.562 184 G HA2 0.445 4.407 3.960 0.004 0.000 0.279 184 G HA3 0.445 4.407 3.960 0.004 0.000 0.279 184 G C 0.012 174.895 174.900 -0.027 0.000 1.314 184 G CA -0.268 44.831 45.100 -0.001 0.000 1.189 184 G HN 0.307 nan 8.290 nan 0.000 0.562 185 L N 1.049 122.260 121.223 -0.020 0.000 2.312 185 L HA 0.334 4.676 4.340 0.004 0.000 0.281 185 L C -1.779 175.030 176.870 -0.102 0.000 1.070 185 L CA -1.680 53.129 54.840 -0.052 0.000 0.805 185 L CB 1.877 43.949 42.059 0.022 0.000 1.174 185 L HN 0.052 nan 8.230 nan 0.000 0.434 186 P HA 0.021 nan 4.420 nan 0.000 0.268 186 P C -0.916 176.260 177.300 -0.206 0.000 1.208 186 P CA -0.285 62.608 63.100 -0.345 0.000 0.777 186 P CB 0.394 31.624 31.700 -0.782 0.000 0.875 187 D N 0.978 121.326 120.400 -0.087 0.000 2.455 187 D HA 0.185 4.827 4.640 0.004 0.000 0.241 187 D C 1.494 177.868 176.300 0.122 0.000 1.138 187 D CA 1.618 55.631 54.000 0.021 0.000 0.877 187 D CB 0.506 41.318 40.800 0.020 0.000 1.187 187 D HN 0.700 nan 8.370 nan 0.000 0.451 188 G N 2.020 110.907 108.800 0.145 0.000 2.205 188 G HA2 -0.238 3.724 3.960 0.004 0.000 0.261 188 G HA3 -0.238 3.724 3.960 0.004 0.000 0.261 188 G C 0.360 175.409 174.900 0.248 0.000 0.980 188 G CA 0.128 45.335 45.100 0.178 0.000 0.632 188 G HN 0.717 nan 8.290 nan 0.000 0.533 189 H N -0.227 118.892 119.070 0.082 0.000 2.508 189 H HA 0.641 5.199 4.556 0.004 0.000 0.358 189 H C 0.302 175.697 175.328 0.110 0.000 1.212 189 H CA -0.353 55.766 56.048 0.118 0.000 1.356 189 H CB 1.015 30.902 29.762 0.209 0.000 1.525 189 H HN 0.135 nan 8.280 nan 0.000 0.578 190 R N 0.601 121.227 120.500 0.210 0.000 2.599 190 R HA 0.389 4.731 4.340 0.004 0.000 0.295 190 R C -1.588 174.796 176.300 0.140 0.000 0.963 190 R CA -0.660 55.529 56.100 0.148 0.000 0.883 190 R CB 2.120 32.484 30.300 0.108 0.000 1.171 190 R HN 0.321 nan 8.270 nan 0.000 0.450 191 V N 2.523 122.477 119.914 0.066 0.000 2.656 191 V HA 0.625 4.748 4.120 0.004 0.000 0.307 191 V C -1.098 174.876 176.094 -0.199 0.000 1.051 191 V CA -0.200 62.040 62.300 -0.099 0.000 0.893 191 V CB 2.400 34.068 31.823 -0.258 0.000 0.999 191 V HN 0.797 nan 8.190 nan 0.000 0.426 192 T N 7.162 121.560 114.554 -0.259 0.000 2.797 192 T HA 0.569 4.922 4.350 0.004 0.000 0.279 192 T C -0.788 173.700 174.700 -0.354 0.000 0.991 192 T CA 0.077 62.062 62.100 -0.192 0.000 0.979 192 T CB 0.879 69.656 68.868 -0.152 0.000 0.943 192 T HN 0.431 nan 8.240 nan 0.000 0.444 193 F N 2.535 122.508 119.950 0.038 0.000 2.350 193 F HA 0.266 4.795 4.527 0.003 0.000 0.365 193 F C 0.797 176.522 175.800 -0.125 0.000 1.122 193 F CA -0.973 57.007 58.000 -0.033 0.000 1.139 193 F CB 0.581 39.586 39.000 0.008 0.000 1.220 193 F HN 0.399 nan 8.300 nan 0.000 0.499 194 D N 3.531 123.903 120.400 -0.047 0.000 2.393 194 D HA 0.063 4.705 4.640 0.004 0.000 0.232 194 D C 0.681 176.851 176.300 -0.217 0.000 1.192 194 D CA 0.121 54.023 54.000 -0.162 0.000 0.882 194 D CB 1.471 42.135 40.800 -0.227 0.000 1.038 194 D HN 0.391 nan 8.370 nan 0.000 0.499 195 V N 3.545 123.274 119.914 -0.308 0.000 3.506 195 V HA 0.091 4.213 4.120 0.004 0.000 0.263 195 V C 0.881 176.775 176.094 -0.332 0.000 1.203 195 V CA 0.667 62.673 62.300 -0.490 0.000 1.133 195 V CB -1.054 30.137 31.823 -1.053 0.000 0.802 195 V HN 0.914 nan 8.190 nan 0.000 0.459 196 N N 1.717 120.283 118.700 -0.222 0.000 2.699 196 N HA -0.309 4.433 4.740 0.004 0.000 0.256 196 N C 0.559 176.003 175.510 -0.110 0.000 0.993 196 N CA 0.835 53.805 53.050 -0.134 0.000 0.759 196 N CB -0.577 37.859 38.487 -0.086 0.000 0.906 196 N HN 0.812 nan 8.380 nan 0.000 0.541 197 R N -3.671 116.755 120.500 -0.124 0.000 3.892 197 R HA -0.230 4.112 4.340 0.004 0.000 0.441 197 R C 1.028 177.303 176.300 -0.043 0.000 1.052 197 R CA 1.070 57.129 56.100 -0.067 0.000 1.190 197 R CB -1.994 28.276 30.300 -0.051 0.000 1.808 197 R HN 0.439 nan 8.270 nan 0.000 0.538 198 A N -0.358 122.399 122.820 -0.105 0.000 2.235 198 A HA 0.003 4.326 4.320 0.004 0.000 0.208 198 A C 0.207 177.852 177.584 0.102 0.000 1.172 198 A CA 0.465 52.474 52.037 -0.047 0.000 0.786 198 A CB -0.008 18.930 19.000 -0.104 0.000 0.804 198 A HN 0.305 nan 8.150 nan 0.000 0.479 199 W N 0.397 121.698 121.300 0.002 0.000 2.570 199 W HA 0.482 5.144 4.660 0.004 0.000 0.337 199 W C 0.508 177.025 176.519 -0.003 0.000 1.067 199 W CA -0.849 56.496 57.345 -0.001 0.000 1.229 199 W CB 0.720 30.180 29.460 0.001 0.000 1.355 199 W HN 0.156 nan 8.180 nan 0.000 0.555 200 T N -0.679 114.003 114.554 0.213 0.000 2.849 200 T HA 0.253 4.606 4.350 0.004 0.000 0.284 200 T C -1.762 172.994 174.700 0.094 0.000 1.004 200 T CA -1.444 60.721 62.100 0.108 0.000 1.021 200 T CB 1.592 70.486 68.868 0.045 0.000 1.013 200 T HN 0.026 nan 8.240 nan 0.000 0.527 201 P HA -0.076 nan 4.420 nan 0.000 0.216 201 P C 1.723 179.034 177.300 0.018 0.000 1.150 201 P CA 1.596 64.736 63.100 0.067 0.000 0.843 201 P CB -0.369 31.350 31.700 0.031 0.000 0.787 202 A N -0.757 122.051 122.820 -0.021 0.000 1.917 202 A HA -0.221 4.102 4.320 0.004 0.000 0.219 202 A C 2.213 179.718 177.584 -0.131 0.000 1.182 202 A CA 1.699 53.704 52.037 -0.054 0.000 0.633 202 A CB -1.644 17.326 19.000 -0.052 0.000 0.819 202 A HN 0.137 nan 8.150 nan 0.000 0.448 203 I N -0.491 119.967 120.570 -0.187 0.000 2.202 203 I HA -0.248 3.924 4.170 0.004 0.000 0.242 203 I C 2.991 178.713 176.117 -0.659 0.000 1.091 203 I CA 0.954 62.011 61.300 -0.405 0.000 1.368 203 I CB -0.348 37.402 38.000 -0.416 0.000 1.058 203 I HN 0.358 nan 8.210 nan 0.000 0.410 204 A N 0.407 122.938 122.820 -0.482 0.000 1.917 204 A HA -0.185 4.137 4.320 0.004 0.000 0.219 204 A C 2.426 179.847 177.584 -0.272 0.000 1.182 204 A CA 2.051 53.849 52.037 -0.398 0.000 0.633 204 A CB -1.029 18.054 19.000 0.137 0.000 0.819 204 A HN 0.255 nan 8.150 nan 0.000 0.448 205 V N -0.101 119.720 119.914 -0.155 0.000 2.358 205 V HA -0.252 3.871 4.120 0.004 0.000 0.246 205 V C 2.546 178.551 176.094 -0.148 0.000 1.047 205 V CA 2.308 64.546 62.300 -0.105 0.000 1.035 205 V CB -0.690 31.109 31.823 -0.040 0.000 0.658 205 V HN 0.816 nan 8.190 nan 0.000 0.452 206 E N 0.109 120.194 120.200 -0.192 0.000 2.047 206 E HA -0.183 4.169 4.350 0.004 0.000 0.191 206 E C 2.210 178.678 176.600 -0.219 0.000 0.987 206 E CA 1.724 58.016 56.400 -0.181 0.000 0.799 206 E CB -0.046 29.549 29.700 -0.174 0.000 0.752 206 E HN 0.362 nan 8.360 nan 0.000 0.449 207 V N 1.484 121.187 119.914 -0.351 0.000 2.237 207 V HA -0.282 3.840 4.120 0.004 0.000 0.245 207 V C 2.525 178.485 176.094 -0.222 0.000 1.046 207 V CA 1.838 63.924 62.300 -0.356 0.000 1.007 207 V CB -0.513 30.915 31.823 -0.658 0.000 0.638 207 V HN 0.369 nan 8.190 nan 0.000 0.445 208 L N 0.317 121.420 121.223 -0.200 0.000 2.265 208 L HA -0.110 4.233 4.340 0.004 0.000 0.215 208 L C 1.768 178.598 176.870 -0.068 0.000 1.117 208 L CA 1.098 55.888 54.840 -0.084 0.000 0.782 208 L CB -0.560 41.490 42.059 -0.015 0.000 0.914 208 L HN 0.391 nan 8.230 nan 0.000 0.441 209 N N -1.302 117.348 118.700 -0.084 0.000 2.280 209 N HA 0.012 4.755 4.740 0.004 0.000 0.192 209 N C 1.253 176.725 175.510 -0.064 0.000 1.109 209 N CA 0.297 53.309 53.050 -0.064 0.000 0.855 209 N CB 0.689 39.138 38.487 -0.063 0.000 0.974 209 N HN 0.030 nan 8.380 nan 0.000 0.482 210 S N -0.582 115.071 115.700 -0.078 0.000 2.539 210 S HA 0.247 4.719 4.470 0.004 0.000 0.221 210 S C 0.307 174.872 174.600 -0.059 0.000 0.987 210 S CA -0.234 57.925 58.200 -0.070 0.000 0.929 210 S CB 1.162 64.310 63.200 -0.086 0.000 0.832 210 S HN -0.087 nan 8.310 nan 0.000 0.492 211 V N 1.223 121.103 119.914 -0.056 0.000 2.876 211 V HA 0.390 4.513 4.120 0.004 0.000 0.312 211 V C 0.240 176.318 176.094 -0.028 0.000 1.085 211 V CA -0.782 61.489 62.300 -0.048 0.000 0.945 211 V CB 2.173 33.954 31.823 -0.071 0.000 1.017 211 V HN 0.130 nan 8.190 nan 0.000 0.428 212 R N 2.428 122.919 120.500 -0.014 0.000 2.254 212 R HA 0.351 4.694 4.340 0.004 0.000 0.195 212 R C 0.848 177.156 176.300 0.013 0.000 0.957 212 R CA 0.537 56.636 56.100 -0.003 0.000 1.024 212 R CB 0.261 30.562 30.300 0.002 0.000 0.952 212 R HN 0.732 nan 8.270 nan 0.000 0.484 213 A N 1.913 124.747 122.820 0.024 0.000 2.511 213 A HA 0.063 4.386 4.320 0.004 0.000 0.242 213 A C 0.319 177.945 177.584 0.070 0.000 1.069 213 A CA 0.159 52.238 52.037 0.070 0.000 0.763 213 A CB 0.259 19.327 19.000 0.112 0.000 1.001 213 A HN 0.225 nan 8.150 nan 0.000 0.498 214 R N 2.322 122.865 120.500 0.071 0.000 2.748 214 R HA 0.140 4.482 4.340 0.004 0.000 0.395 214 R C -0.994 175.330 176.300 0.041 0.000 1.128 214 R CA -0.344 55.779 56.100 0.037 0.000 1.042 214 R CB 0.039 30.332 30.300 -0.010 0.000 1.392 214 R HN 0.745 nan 8.270 nan 0.000 0.582 215 D N 0.411 120.904 120.400 0.155 0.000 2.361 215 D HA -0.026 4.616 4.640 0.004 0.000 0.239 215 D C 0.209 176.640 176.300 0.218 0.000 1.200 215 D CA 0.135 54.252 54.000 0.195 0.000 0.915 215 D CB 0.831 41.838 40.800 0.345 0.000 1.170 215 D HN -0.031 nan 8.370 nan 0.000 0.444 216 W N 0.500 121.870 121.300 0.116 0.000 2.343 216 W HA 0.006 4.668 4.660 0.004 0.000 0.337 216 W C 0.276 176.885 176.519 0.149 0.000 1.320 216 W CA -0.226 57.178 57.345 0.098 0.000 1.290 216 W CB 0.270 29.766 29.460 0.060 0.000 1.206 216 W HN 0.030 nan 8.180 nan 0.000 0.565 217 I N 3.230 124.056 120.570 0.427 0.000 2.378 217 I HA 0.187 4.359 4.170 0.004 0.000 0.291 217 I C -0.144 176.088 176.117 0.193 0.000 0.992 217 I CA -1.195 60.276 61.300 0.286 0.000 1.154 217 I CB 1.247 39.398 38.000 0.251 0.000 1.315 217 I HN 0.452 nan 8.210 nan 0.000 0.448 218 E N 5.204 125.440 120.200 0.059 0.000 2.151 218 E HA 0.200 4.553 4.350 0.004 0.000 0.275 218 E C -0.323 176.225 176.600 -0.086 0.000 0.936 218 E CA -0.669 55.709 56.400 -0.037 0.000 0.777 218 E CB 0.982 30.604 29.700 -0.130 0.000 1.108 218 E HN 0.458 nan 8.360 nan 0.000 0.401 219 Q N 4.179 123.936 119.800 -0.073 0.000 2.417 219 Q HA -0.164 4.179 4.340 0.004 0.000 0.368 219 Q C -1.947 174.004 176.000 -0.081 0.000 1.359 219 Q CA 0.596 56.351 55.803 -0.081 0.000 1.122 219 Q CB -0.213 28.455 28.738 -0.117 0.000 1.295 219 Q HN 0.491 nan 8.270 nan 0.000 0.337 220 P HA -0.080 nan 4.420 nan 0.000 0.218 220 P C -0.008 177.324 177.300 0.053 0.000 1.149 220 P CA 0.936 64.039 63.100 0.005 0.000 0.817 220 P CB 0.324 32.168 31.700 0.241 0.000 0.785 221 C N -1.610 117.723 119.300 0.056 0.000 2.771 221 C HA 0.360 4.822 4.460 0.004 0.000 0.333 221 C C 1.964 176.962 174.990 0.013 0.000 1.267 221 C CA -0.313 58.744 59.018 0.064 0.000 1.721 221 C CB 1.279 29.072 27.740 0.088 0.000 2.222 221 C HN 0.074 nan 8.230 nan 0.000 0.485 222 Q N 1.202 121.011 119.800 0.014 0.000 2.124 222 Q HA -0.068 4.274 4.340 0.004 0.000 0.202 222 Q C 0.955 176.950 176.000 -0.009 0.000 0.977 222 Q CA 2.002 57.802 55.803 -0.005 0.000 0.850 222 Q CB -0.114 28.625 28.738 0.003 0.000 0.901 222 Q HN 0.981 nan 8.270 nan 0.000 0.429 223 T N -3.660 110.894 114.554 -0.000 0.000 2.930 223 T HA 0.350 4.702 4.350 0.004 0.000 0.290 223 T C 0.737 175.435 174.700 -0.003 0.000 1.052 223 T CA -0.445 61.653 62.100 -0.002 0.000 1.017 223 T CB 0.844 69.715 68.868 0.005 0.000 1.137 223 T HN 0.092 nan 8.240 nan 0.000 0.511 224 L N 1.186 122.402 121.223 -0.011 0.000 2.012 224 L HA 0.023 4.365 4.340 0.004 0.000 0.210 224 L C 2.136 179.015 176.870 0.015 0.000 1.073 224 L CA 2.620 57.453 54.840 -0.011 0.000 0.748 224 L CB -1.259 40.790 42.059 -0.017 0.000 0.891 224 L HN 1.005 nan 8.230 nan 0.000 0.431 225 D N -1.446 118.966 120.400 0.020 0.000 2.133 225 D HA -0.266 4.377 4.640 0.004 0.000 0.195 225 D C 2.111 178.445 176.300 0.056 0.000 0.997 225 D CA 1.651 55.671 54.000 0.034 0.000 0.840 225 D CB -0.040 40.773 40.800 0.022 0.000 0.947 225 D HN 0.583 nan 8.370 nan 0.000 0.452 226 Q N -0.846 118.978 119.800 0.041 0.000 2.123 226 Q HA -0.085 4.258 4.340 0.004 0.000 0.199 226 Q C 2.445 178.507 176.000 0.104 0.000 0.966 226 Q CA 1.190 57.027 55.803 0.056 0.000 0.845 226 Q CB -0.057 28.700 28.738 0.031 0.000 0.907 226 Q HN 0.435 nan 8.270 nan 0.000 0.439 227 C N 0.144 119.487 119.300 0.072 0.000 2.429 227 C HA -0.098 4.364 4.460 0.004 0.000 0.277 227 C C 2.830 177.865 174.990 0.075 0.000 1.262 227 C CA 0.798 59.859 59.018 0.072 0.000 1.733 227 C CB -1.065 26.694 27.740 0.032 0.000 2.010 227 C HN 0.615 nan 8.230 nan 0.000 0.483 228 A N -0.230 122.630 122.820 0.067 0.000 1.933 228 A HA -0.235 4.087 4.320 0.004 0.000 0.218 228 A C 1.848 179.467 177.584 0.059 0.000 1.175 228 A CA 2.181 54.249 52.037 0.052 0.000 0.628 228 A CB -0.984 18.042 19.000 0.043 0.000 0.814 228 A HN 0.796 nan 8.150 nan 0.000 0.444 229 H N -0.530 118.546 119.070 0.010 0.000 2.321 229 H HA -0.082 4.477 4.556 0.004 0.000 0.300 229 H C 1.861 177.196 175.328 0.011 0.000 1.087 229 H CA 2.078 58.130 56.048 0.007 0.000 1.319 229 H CB -0.168 29.598 29.762 0.007 0.000 1.379 229 H HN 0.110 nan 8.280 nan 0.000 0.501 230 V N 0.965 120.952 119.914 0.120 0.000 2.287 230 V HA -0.315 3.807 4.120 0.004 0.000 0.248 230 V C 2.766 178.859 176.094 -0.000 0.000 1.053 230 V CA 1.824 64.167 62.300 0.071 0.000 1.027 230 V CB -1.346 30.557 31.823 0.134 0.000 0.646 230 V HN 0.732 nan 8.190 nan 0.000 0.447 231 A N 0.051 122.879 122.820 0.014 0.000 1.917 231 A HA -0.283 4.039 4.320 0.004 0.000 0.219 231 A C 2.304 179.865 177.584 -0.039 0.000 1.182 231 A CA 2.127 54.164 52.037 0.001 0.000 0.633 231 A CB -0.565 18.444 19.000 0.016 0.000 0.819 231 A HN 0.572 nan 8.150 nan 0.000 0.448 232 R N -1.000 119.451 120.500 -0.081 0.000 2.237 232 R HA -0.003 4.339 4.340 0.004 0.000 0.219 232 R C 1.709 177.941 176.300 -0.112 0.000 1.080 232 R CA 1.075 57.114 56.100 -0.101 0.000 0.995 232 R CB -0.126 30.093 30.300 -0.136 0.000 0.875 232 R HN 0.488 nan 8.270 nan 0.000 0.462 233 R N 0.325 120.749 120.500 -0.127 0.000 2.365 233 R HA 0.116 4.459 4.340 0.004 0.000 0.223 233 R C 0.608 176.869 176.300 -0.064 0.000 0.899 233 R CA 0.225 56.258 56.100 -0.111 0.000 1.059 233 R CB 0.931 31.142 30.300 -0.149 0.000 1.086 233 R HN 0.045 nan 8.270 nan 0.000 0.522 234 V N -4.410 115.478 119.914 -0.044 0.000 3.155 234 V HA 0.785 4.907 4.120 0.004 0.000 0.313 234 V C 0.069 176.150 176.094 -0.023 0.000 1.162 234 V CA -0.680 61.605 62.300 -0.026 0.000 1.048 234 V CB 1.901 33.722 31.823 -0.002 0.000 1.092 234 V HN -0.100 nan 8.190 nan 0.000 0.447 235 A N 0.619 123.427 122.820 -0.019 0.000 2.431 235 A HA 0.482 4.804 4.320 0.004 0.000 0.239 235 A C 0.594 178.159 177.584 -0.032 0.000 1.230 235 A CA -0.184 51.837 52.037 -0.027 0.000 0.928 235 A CB -0.775 18.208 19.000 -0.027 0.000 1.006 235 A HN 0.894 nan 8.150 nan 0.000 0.520 236 N N 1.168 119.860 118.700 -0.013 0.000 2.515 236 N HA 0.457 5.200 4.740 0.004 0.000 0.279 236 N C -2.983 172.488 175.510 -0.064 0.000 1.164 236 N CA -1.338 51.698 53.050 -0.023 0.000 0.982 236 N CB 0.241 38.760 38.487 0.053 0.000 1.170 236 N HN -0.014 nan 8.380 nan 0.000 0.474 237 P HA 0.098 nan 4.420 nan 0.000 0.264 237 P C -0.719 176.587 177.300 0.009 0.000 1.193 237 P CA 0.244 63.138 63.100 -0.343 0.000 0.763 237 P CB 0.405 31.425 31.700 -1.133 0.000 0.810 238 I N 3.931 124.591 120.570 0.150 0.000 2.377 238 I HA 0.422 4.595 4.170 0.004 0.000 0.293 238 I C 0.092 176.434 176.117 0.376 0.000 0.987 238 I CA -0.534 60.921 61.300 0.259 0.000 1.185 238 I CB 1.464 39.540 38.000 0.126 0.000 1.341 238 I HN 0.244 nan 8.210 nan 0.000 0.455 239 M N 7.497 127.263 119.600 0.277 0.000 2.227 239 M HA 0.559 5.041 4.480 0.004 0.000 0.335 239 M C -1.757 174.490 176.300 -0.089 0.000 1.053 239 M CA -0.411 54.887 55.300 -0.004 0.000 0.973 239 M CB 0.990 33.461 32.600 -0.214 0.000 1.623 239 M HN 0.258 nan 8.290 nan 0.000 0.434 240 L N 3.938 125.052 121.223 -0.182 0.000 2.334 240 L HA 0.607 4.950 4.340 0.004 0.000 0.272 240 L C 0.161 176.906 176.870 -0.208 0.000 1.020 240 L CA 0.237 54.962 54.840 -0.192 0.000 0.812 240 L CB 1.537 43.457 42.059 -0.231 0.000 1.264 240 L HN 0.912 nan 8.230 nan 0.000 0.439 241 D N -0.559 119.723 120.400 -0.196 0.000 2.519 241 D HA 0.007 4.649 4.640 0.004 0.000 0.114 241 D C 1.058 177.230 176.300 -0.213 0.000 1.463 241 D CA 0.210 54.104 54.000 -0.176 0.000 1.454 241 D CB 0.247 40.955 40.800 -0.154 0.000 2.156 241 D HN 0.428 nan 8.370 nan 0.000 0.210 242 E N -0.030 120.037 120.200 -0.221 0.000 2.268 242 E HA -0.014 4.338 4.350 0.004 0.000 0.195 242 E C 2.004 178.389 176.600 -0.359 0.000 0.995 242 E CA 1.178 57.407 56.400 -0.283 0.000 0.836 242 E CB -0.206 29.312 29.700 -0.303 0.000 0.763 242 E HN 0.514 nan 8.360 nan 0.000 0.491 243 C N -0.382 118.729 119.300 -0.315 0.000 2.576 243 C HA 0.272 4.735 4.460 0.004 0.000 0.267 243 C C 0.685 175.348 174.990 -0.544 0.000 1.364 243 C CA -0.755 58.066 59.018 -0.330 0.000 1.723 243 C CB -1.379 26.268 27.740 -0.156 0.000 1.778 243 C HN 0.066 nan 8.230 nan 0.000 0.572 244 L N 2.218 123.089 121.223 -0.586 0.000 2.288 244 L HA 0.341 4.683 4.340 0.004 0.000 0.283 244 L C 1.184 177.791 176.870 -0.439 0.000 1.072 244 L CA -0.111 54.398 54.840 -0.552 0.000 0.862 244 L CB 0.014 41.651 42.059 -0.703 0.000 1.245 244 L HN 0.359 nan 8.230 nan 0.000 0.432 245 H N 1.562 120.642 119.070 0.016 0.000 2.553 245 H HA 0.178 4.736 4.556 0.004 0.000 0.276 245 H C 0.210 175.633 175.328 0.157 0.000 0.979 245 H CA 0.349 56.445 56.048 0.080 0.000 1.268 245 H CB 0.896 30.682 29.762 0.040 0.000 1.450 245 H HN 0.649 nan 8.280 nan 0.000 0.527 246 E N -0.948 119.423 120.200 0.286 0.000 2.458 246 E HA 0.059 4.411 4.350 0.004 0.000 0.278 246 E C -0.154 176.668 176.600 0.369 0.000 1.004 246 E CA -0.854 55.719 56.400 0.289 0.000 0.823 246 E CB 0.760 30.594 29.700 0.222 0.000 1.396 246 E HN -0.095 nan 8.360 nan 0.000 0.463 247 F N 2.097 122.124 119.950 0.128 0.000 2.161 247 F HA -0.231 4.298 4.527 0.004 0.000 0.300 247 F C 2.289 178.147 175.800 0.097 0.000 1.089 247 F CA 2.544 60.572 58.000 0.046 0.000 1.282 247 F CB -0.039 38.918 39.000 -0.072 0.000 1.010 247 F HN 0.545 nan 8.300 nan 0.000 0.485 248 S N -0.788 114.979 115.700 0.111 0.000 2.423 248 S HA -0.188 4.285 4.470 0.004 0.000 0.231 248 S C 1.697 176.289 174.600 -0.013 0.000 1.014 248 S CA 1.280 59.489 58.200 0.015 0.000 0.965 248 S CB -0.665 62.592 63.200 0.095 0.000 0.785 248 S HN 0.449 nan 8.310 nan 0.000 0.495 249 D N 1.424 121.845 120.400 0.036 0.000 2.178 249 D HA -0.050 4.592 4.640 0.004 0.000 0.202 249 D C 1.689 177.941 176.300 -0.080 0.000 0.974 249 D CA 1.282 55.265 54.000 -0.028 0.000 0.841 249 D CB -0.404 40.348 40.800 -0.079 0.000 0.953 249 D HN 0.592 nan 8.370 nan 0.000 0.478 250 H N 0.069 119.075 119.070 -0.107 0.000 2.363 250 H HA -0.007 4.552 4.556 0.004 0.000 0.301 250 H C 1.902 177.227 175.328 -0.004 0.000 1.074 250 H CA 0.404 56.462 56.048 0.017 0.000 1.354 250 H CB -0.197 29.520 29.762 -0.074 0.000 1.397 250 H HN -0.011 nan 8.280 nan 0.000 0.516 251 L N 0.685 121.728 121.223 -0.300 0.000 2.012 251 L HA -0.134 4.209 4.340 0.004 0.000 0.210 251 L C 2.420 179.417 176.870 0.211 0.000 1.073 251 L CA 1.827 56.572 54.840 -0.159 0.000 0.748 251 L CB -1.139 40.751 42.059 -0.283 0.000 0.891 251 L HN 0.325 nan 8.230 nan 0.000 0.431 252 A N -1.066 121.821 122.820 0.112 0.000 1.902 252 A HA -0.152 4.170 4.320 0.004 0.000 0.217 252 A C 2.448 180.126 177.584 0.157 0.000 1.181 252 A CA 1.870 53.981 52.037 0.123 0.000 0.623 252 A CB -0.966 18.071 19.000 0.061 0.000 0.818 252 A HN 0.479 nan 8.150 nan 0.000 0.443 253 A N -1.423 121.514 122.820 0.196 0.000 1.902 253 A HA -0.154 4.169 4.320 0.004 0.000 0.217 253 A C 2.008 179.817 177.584 0.375 0.000 1.181 253 A CA 1.611 53.781 52.037 0.220 0.000 0.623 253 A CB -0.928 18.186 19.000 0.189 0.000 0.818 253 A HN 0.909 nan 8.150 nan 0.000 0.443 254 W N 1.443 122.987 121.300 0.407 0.000 2.355 254 W HA -0.206 4.456 4.660 0.004 0.000 0.309 254 W C 2.649 179.298 176.519 0.216 0.000 1.206 254 W CA 2.509 60.095 57.345 0.402 0.000 1.284 254 W CB -0.355 29.335 29.460 0.382 0.000 1.145 254 W HN 0.369 nan 8.180 nan 0.000 0.502 255 S N 0.365 116.064 115.700 -0.003 0.000 2.406 255 S HA -0.138 4.334 4.470 0.004 0.000 0.228 255 S C 1.808 176.244 174.600 -0.274 0.000 1.020 255 S CA 1.115 59.086 58.200 -0.381 0.000 0.965 255 S CB -0.387 62.831 63.200 0.030 0.000 0.798 255 S HN 0.272 nan 8.310 nan 0.000 0.488 256 R N 0.932 121.372 120.500 -0.099 0.000 2.316 256 R HA 0.272 4.615 4.340 0.004 0.000 0.202 256 R C 1.550 177.800 176.300 -0.085 0.000 1.029 256 R CA 0.662 56.723 56.100 -0.065 0.000 1.018 256 R CB -0.782 29.518 30.300 -0.001 0.000 0.888 256 R HN 0.612 nan 8.270 nan 0.000 0.471 257 G N -0.296 108.425 108.800 -0.133 0.000 2.273 257 G HA2 -0.323 3.639 3.960 0.004 0.000 0.280 257 G HA3 -0.323 3.639 3.960 0.004 0.000 0.280 257 G C 0.774 175.680 174.900 0.010 0.000 1.047 257 G CA 0.380 45.431 45.100 -0.082 0.000 0.869 257 G HN 0.451 nan 8.290 nan 0.000 0.502 258 A N -1.479 121.371 122.820 0.049 0.000 2.119 258 A HA 0.479 4.802 4.320 0.004 0.000 0.216 258 A C 1.659 179.273 177.584 0.049 0.000 1.152 258 A CA 1.972 54.035 52.037 0.044 0.000 0.708 258 A CB -0.297 18.726 19.000 0.039 0.000 0.805 258 A HN 2.210 nan 8.150 nan 0.000 0.460 259 C N -4.151 115.198 119.300 0.082 0.000 3.321 259 C HA 0.818 5.280 4.460 0.004 0.000 0.329 259 C C -0.145 174.915 174.990 0.118 0.000 1.394 259 C CA -0.531 58.516 59.018 0.048 0.000 1.291 259 C CB 1.051 28.727 27.740 -0.106 0.000 1.606 259 C HN 0.211 nan 8.230 nan 0.000 0.463 260 E N 0.133 120.426 120.200 0.155 0.000 2.562 260 E HA 0.506 4.859 4.350 0.004 0.000 0.214 260 E C 0.523 177.307 176.600 0.306 0.000 0.979 260 E CA 0.766 57.326 56.400 0.266 0.000 1.002 260 E CB 1.399 31.194 29.700 0.158 0.000 1.048 260 E HN 1.158 nan 8.360 nan 0.000 0.488 261 G N -0.108 108.693 108.800 0.001 0.000 2.646 261 G HA2 0.557 4.519 3.960 0.004 0.000 0.291 261 G HA3 0.557 4.519 3.960 0.004 0.000 0.291 261 G C -1.407 173.179 174.900 -0.524 0.000 1.445 261 G CA -0.351 44.618 45.100 -0.219 0.000 0.814 261 G HN 0.253 nan 8.290 nan 0.000 0.495 262 V N -2.417 117.232 119.914 -0.443 0.000 3.049 262 V HA 0.773 4.895 4.120 0.004 0.000 0.309 262 V C -0.710 175.297 176.094 -0.144 0.000 1.148 262 V CA -1.422 60.678 62.300 -0.333 0.000 0.990 262 V CB 2.065 33.687 31.823 -0.334 0.000 1.039 262 V HN 0.740 nan 8.190 nan 0.000 0.430 263 K N 2.771 123.112 120.400 -0.098 0.000 2.174 263 K HA 0.673 4.995 4.320 0.004 0.000 0.275 263 K C -1.046 175.581 176.600 0.044 0.000 1.015 263 K CA -0.434 55.844 56.287 -0.015 0.000 0.933 263 K CB 1.872 34.339 32.500 -0.055 0.000 1.025 263 K HN 0.690 nan 8.250 nan 0.000 0.463 264 I N 3.053 123.671 120.570 0.080 0.000 2.418 264 I HA 0.256 4.429 4.170 0.004 0.000 0.287 264 I C -0.414 175.763 176.117 0.101 0.000 1.008 264 I CA -0.665 60.703 61.300 0.113 0.000 1.104 264 I CB 1.419 39.488 38.000 0.115 0.000 1.264 264 I HN 0.288 nan 8.210 nan 0.000 0.438 265 K N 7.022 127.488 120.400 0.111 0.000 2.535 265 K HA 0.339 4.661 4.320 0.004 0.000 0.253 265 K C -2.229 174.449 176.600 0.131 0.000 0.953 265 K CA -1.593 54.767 56.287 0.123 0.000 0.863 265 K CB 2.296 34.875 32.500 0.132 0.000 1.111 265 K HN 0.123 nan 8.250 nan 0.000 0.431 266 P HA -0.299 nan 4.420 nan 0.000 0.219 266 P C 0.862 178.252 177.300 0.149 0.000 1.158 266 P CA 1.439 64.608 63.100 0.115 0.000 0.895 266 P CB 0.203 31.961 31.700 0.096 0.000 0.792 267 N N -1.153 117.654 118.700 0.178 0.000 2.459 267 N HA -0.132 4.610 4.740 0.004 0.000 0.181 267 N C 1.883 177.531 175.510 0.230 0.000 1.046 267 N CA 0.462 53.641 53.050 0.216 0.000 0.904 267 N CB -0.005 38.630 38.487 0.246 0.000 0.964 267 N HN 0.068 nan 8.380 nan 0.000 0.444 268 R N 0.630 121.249 120.500 0.197 0.000 2.140 268 R HA -0.009 4.334 4.340 0.004 0.000 0.213 268 R C 1.810 178.228 176.300 0.196 0.000 1.059 268 R CA 1.017 57.230 56.100 0.189 0.000 1.000 268 R CB 0.164 30.541 30.300 0.127 0.000 0.910 268 R HN 0.136 nan 8.270 nan 0.000 0.455 269 V N -3.306 116.713 119.914 0.175 0.000 3.621 269 V HA 0.475 4.597 4.120 0.004 0.000 0.285 269 V C 0.772 176.958 176.094 0.153 0.000 1.346 269 V CA 0.388 62.793 62.300 0.175 0.000 1.104 269 V CB 0.510 32.429 31.823 0.160 0.000 0.913 269 V HN 0.397 nan 8.190 nan 0.000 0.432 270 G N -1.231 107.659 108.800 0.150 0.000 2.135 270 G HA2 0.359 4.321 3.960 0.004 0.000 0.183 270 G HA3 0.359 4.321 3.960 0.004 0.000 0.183 270 G C 0.861 175.832 174.900 0.118 0.000 1.004 270 G CA -0.032 45.145 45.100 0.129 0.000 0.677 270 G HN 2.288 nan 8.290 nan 0.000 0.512 271 G N -1.713 107.158 108.800 0.118 0.000 2.373 271 G HA2 0.122 4.084 3.960 0.004 0.000 0.634 271 G HA3 0.122 4.084 3.960 0.004 0.000 0.634 271 G C 0.677 175.621 174.900 0.073 0.000 1.267 271 G CA -0.109 45.056 45.100 0.108 0.000 1.008 271 G HN 0.963 nan 8.290 nan 0.000 0.497 272 L N 0.141 121.375 121.223 0.019 0.000 2.156 272 L HA -0.010 4.332 4.340 0.004 0.000 0.208 272 L C 3.193 180.060 176.870 -0.005 0.000 1.095 272 L CA 2.102 56.834 54.840 -0.179 0.000 0.770 272 L CB -0.681 40.923 42.059 -0.759 0.000 0.914 272 L HN 0.741 nan 8.230 nan 0.000 0.439 273 T N -0.989 113.754 114.554 0.315 0.000 2.770 273 T HA -0.090 4.262 4.350 0.004 0.000 0.263 273 T C 2.055 176.856 174.700 0.169 0.000 1.039 273 T CA 0.786 63.116 62.100 0.383 0.000 1.142 273 T CB -0.056 69.025 68.868 0.356 0.000 0.868 273 T HN 0.182 nan 8.240 nan 0.000 0.435 274 R N 1.379 121.954 120.500 0.124 0.000 2.092 274 R HA 0.149 4.491 4.340 0.004 0.000 0.231 274 R C 2.669 179.011 176.300 0.070 0.000 1.119 274 R CA 1.256 57.405 56.100 0.082 0.000 0.970 274 R CB -1.027 29.329 30.300 0.093 0.000 0.864 274 R HN 0.430 nan 8.270 nan 0.000 0.440 275 A N 1.246 124.105 122.820 0.064 0.000 1.969 275 A HA -0.123 4.200 4.320 0.004 0.000 0.218 275 A C 2.252 179.865 177.584 0.048 0.000 1.169 275 A CA 0.976 53.042 52.037 0.049 0.000 0.635 275 A CB -0.370 18.649 19.000 0.031 0.000 0.810 275 A HN 0.091 nan 8.150 nan 0.000 0.445 276 R N -0.160 120.363 120.500 0.038 0.000 2.090 276 R HA -0.130 4.212 4.340 0.004 0.000 0.228 276 R C 2.283 178.627 176.300 0.075 0.000 1.110 276 R CA 1.738 57.866 56.100 0.047 0.000 0.973 276 R CB -0.442 29.890 30.300 0.053 0.000 0.869 276 R HN 0.763 nan 8.270 nan 0.000 0.440 277 Q N 0.375 120.213 119.800 0.062 0.000 2.084 277 Q HA -0.144 4.199 4.340 0.004 0.000 0.202 277 Q C 2.180 178.268 176.000 0.146 0.000 0.978 277 Q CA 1.692 57.514 55.803 0.032 0.000 0.844 277 Q CB -0.096 28.577 28.738 -0.108 0.000 0.898 277 Q HN 0.390 nan 8.270 nan 0.000 0.426 278 I N 0.589 121.252 120.570 0.154 0.000 2.179 278 I HA -0.294 3.878 4.170 0.004 0.000 0.242 278 I C 2.804 179.071 176.117 0.250 0.000 1.088 278 I CA 0.978 62.390 61.300 0.187 0.000 1.357 278 I CB -0.452 37.511 38.000 -0.063 0.000 1.051 278 I HN 0.201 nan 8.210 nan 0.000 0.409 279 R N 1.348 121.950 120.500 0.170 0.000 2.083 279 R HA -0.216 4.126 4.340 0.004 0.000 0.237 279 R C 1.645 178.029 176.300 0.141 0.000 1.137 279 R CA 2.210 58.404 56.100 0.157 0.000 0.951 279 R CB -0.752 29.608 30.300 0.100 0.000 0.851 279 R HN 0.318 nan 8.270 nan 0.000 0.434 280 D N -0.318 120.157 120.400 0.126 0.000 2.144 280 D HA -0.154 4.489 4.640 0.004 0.000 0.199 280 D C 1.648 177.995 176.300 0.078 0.000 0.984 280 D CA 0.990 55.042 54.000 0.087 0.000 0.834 280 D CB -0.458 40.387 40.800 0.075 0.000 0.955 280 D HN 0.260 nan 8.370 nan 0.000 0.465 281 F N 1.270 121.226 119.950 0.010 0.000 2.146 281 F HA -0.036 4.494 4.527 0.004 0.000 0.298 281 F C 2.268 177.935 175.800 -0.221 0.000 1.096 281 F CA 1.799 59.752 58.000 -0.078 0.000 1.275 281 F CB -0.300 38.731 39.000 0.050 0.000 1.008 281 F HN -0.029 nan 8.300 nan 0.000 0.480 282 G N 0.073 108.865 108.800 -0.013 0.000 2.440 282 G HA2 -0.236 3.727 3.960 0.004 0.000 0.218 282 G HA3 -0.236 3.727 3.960 0.004 0.000 0.218 282 G C 1.694 176.530 174.900 -0.107 0.000 1.154 282 G CA 1.213 46.305 45.100 -0.014 0.000 0.767 282 G HN 0.339 nan 8.290 nan 0.000 0.552 283 V N 0.981 120.868 119.914 -0.045 0.000 2.343 283 V HA -0.182 3.941 4.120 0.004 0.000 0.247 283 V C 3.092 179.093 176.094 -0.155 0.000 1.051 283 V CA 2.218 64.487 62.300 -0.052 0.000 1.036 283 V CB -0.493 31.323 31.823 -0.012 0.000 0.654 283 V HN 0.358 nan 8.190 nan 0.000 0.451 284 S N 0.254 115.796 115.700 -0.262 0.000 2.402 284 S HA -0.114 4.358 4.470 0.004 0.000 0.229 284 S C 1.739 176.088 174.600 -0.419 0.000 1.021 284 S CA 1.560 59.573 58.200 -0.312 0.000 0.974 284 S CB -0.055 62.927 63.200 -0.364 0.000 0.800 284 S HN 0.628 nan 8.310 nan 0.000 0.484 285 V N -1.254 118.261 119.914 -0.665 0.000 3.596 285 V HA 0.588 4.710 4.120 0.004 0.000 0.289 285 V C 1.101 177.027 176.094 -0.281 0.000 1.336 285 V CA 0.364 62.314 62.300 -0.583 0.000 1.137 285 V CB -0.755 30.480 31.823 -0.979 0.000 0.966 285 V HN 0.472 nan 8.190 nan 0.000 0.428 286 G N -1.327 107.377 108.800 -0.160 0.000 2.136 286 G HA2 -0.254 3.708 3.960 0.004 0.000 0.242 286 G HA3 -0.254 3.708 3.960 0.004 0.000 0.242 286 G C -0.229 174.800 174.900 0.216 0.000 0.989 286 G CA 0.134 45.252 45.100 0.031 0.000 0.682 286 G HN 0.517 nan 8.290 nan 0.000 0.522 287 W N 0.740 122.073 121.300 0.056 0.000 2.126 287 W HA 0.568 5.231 4.660 0.004 0.000 0.346 287 W C 0.915 177.492 176.519 0.097 0.000 1.279 287 W CA -0.476 56.936 57.345 0.112 0.000 1.259 287 W CB 0.256 29.786 29.460 0.116 0.000 1.133 287 W HN 0.229 nan 8.180 nan 0.000 0.592 288 Q N 1.294 121.300 119.800 0.342 0.000 2.306 288 Q HA 0.644 4.986 4.340 0.004 0.000 0.265 288 Q C -0.646 175.347 176.000 -0.013 0.000 1.022 288 Q CA -0.807 55.092 55.803 0.159 0.000 0.853 288 Q CB 2.408 31.286 28.738 0.233 0.000 1.327 288 Q HN 0.294 nan 8.270 nan 0.000 0.449 289 M N 1.295 120.831 119.600 -0.106 0.000 2.501 289 M HA 0.380 4.862 4.480 0.004 0.000 0.293 289 M C -1.244 174.895 176.300 -0.269 0.000 1.192 289 M CA -0.651 54.566 55.300 -0.139 0.000 0.886 289 M CB 2.456 35.079 32.600 0.039 0.000 1.710 289 M HN 0.471 nan 8.290 nan 0.000 0.457 290 H N 3.299 122.291 119.070 -0.130 0.000 2.519 290 H HA 0.531 5.089 4.556 0.004 0.000 0.316 290 H C -1.099 174.207 175.328 -0.038 0.000 1.065 290 H CA -0.190 55.798 56.048 -0.101 0.000 1.264 290 H CB 1.302 30.971 29.762 -0.154 0.000 1.413 290 H HN 0.528 nan 8.280 nan 0.000 0.465 291 I N 4.178 124.806 120.570 0.098 0.000 2.382 291 I HA 0.193 4.365 4.170 0.004 0.000 0.286 291 I C -0.134 176.043 176.117 0.099 0.000 1.002 291 I CA -0.210 61.141 61.300 0.085 0.000 1.135 291 I CB 1.153 39.188 38.000 0.059 0.000 1.288 291 I HN 0.678 nan 8.210 nan 0.000 0.448 292 E N 3.919 124.188 120.200 0.116 0.000 2.422 292 E HA 0.393 4.745 4.350 0.004 0.000 0.280 292 E C -1.910 174.789 176.600 0.166 0.000 1.091 292 E CA -0.919 55.570 56.400 0.149 0.000 0.849 292 E CB 1.740 31.570 29.700 0.218 0.000 1.353 292 E HN 0.204 nan 8.360 nan 0.000 0.449 293 D N -0.303 120.218 120.400 0.201 0.000 2.478 293 D HA 0.284 4.926 4.640 0.004 0.000 0.263 293 D C 0.817 177.307 176.300 0.317 0.000 1.153 293 D CA -0.792 53.341 54.000 0.222 0.000 1.038 293 D CB 2.183 43.100 40.800 0.194 0.000 1.120 293 D HN 0.218 nan 8.370 nan 0.000 0.564 294 V N -0.221 119.872 119.914 0.298 0.000 2.548 294 V HA 0.217 4.339 4.120 0.004 0.000 0.249 294 V C 1.131 177.493 176.094 0.446 0.000 1.055 294 V CA 1.764 64.248 62.300 0.308 0.000 1.065 294 V CB -0.326 31.700 31.823 0.338 0.000 0.681 294 V HN 0.722 nan 8.190 nan 0.000 0.462 295 G N -3.029 106.072 108.800 0.501 0.000 2.316 295 G HA2 0.574 4.537 3.960 0.004 0.000 0.296 295 G HA3 0.574 4.537 3.960 0.004 0.000 0.296 295 G C -0.436 174.691 174.900 0.378 0.000 1.399 295 G CA 0.084 45.548 45.100 0.606 0.000 0.833 295 G HN 0.965 nan 8.290 nan 0.000 0.565 296 G N -1.642 107.359 108.800 0.335 0.000 2.306 296 G HA2 0.563 4.525 3.960 0.004 0.000 0.262 296 G HA3 0.563 4.525 3.960 0.004 0.000 0.262 296 G C 0.287 175.324 174.900 0.228 0.000 1.263 296 G CA 0.579 45.842 45.100 0.271 0.000 1.088 296 G HN 2.419 nan 8.290 nan 0.000 0.489 297 T N -2.034 112.665 114.554 0.242 0.000 2.852 297 T HA 0.702 5.054 4.350 0.004 0.000 0.281 297 T C 1.862 176.650 174.700 0.146 0.000 0.993 297 T CA 0.858 63.079 62.100 0.201 0.000 0.933 297 T CB 1.300 70.310 68.868 0.237 0.000 1.187 297 T HN 2.178 nan 8.240 nan 0.000 0.559 298 A N -0.195 122.623 122.820 -0.003 0.000 2.172 298 A HA 0.112 4.434 4.320 0.004 0.000 0.216 298 A C 2.008 179.584 177.584 -0.014 0.000 1.154 298 A CA 0.884 52.858 52.037 -0.104 0.000 0.701 298 A CB -1.023 17.711 19.000 -0.443 0.000 0.789 298 A HN 0.753 nan 8.150 nan 0.000 0.465 299 L N -0.113 121.121 121.223 0.017 0.000 1.988 299 L HA -0.002 4.341 4.340 0.004 0.000 0.207 299 L C 2.613 179.495 176.870 0.020 0.000 1.071 299 L CA 2.326 57.148 54.840 -0.030 0.000 0.744 299 L CB -1.280 40.669 42.059 -0.184 0.000 0.893 299 L HN 0.297 nan 8.230 nan 0.000 0.433 300 A N -0.532 122.324 122.820 0.060 0.000 1.917 300 A HA -0.259 4.064 4.320 0.004 0.000 0.219 300 A C 2.001 179.643 177.584 0.096 0.000 1.182 300 A CA 2.077 54.171 52.037 0.096 0.000 0.633 300 A CB -1.022 18.067 19.000 0.147 0.000 0.819 300 A HN 0.624 nan 8.150 nan 0.000 0.448 301 D N -0.675 119.784 120.400 0.097 0.000 2.144 301 D HA -0.098 4.544 4.640 0.004 0.000 0.199 301 D C 1.986 178.326 176.300 0.065 0.000 0.984 301 D CA 1.823 55.874 54.000 0.084 0.000 0.834 301 D CB -0.638 40.239 40.800 0.129 0.000 0.955 301 D HN 0.438 nan 8.370 nan 0.000 0.465 302 T N 1.000 115.590 114.554 0.060 0.000 2.737 302 T HA -0.094 4.258 4.350 0.004 0.000 0.265 302 T C 2.105 176.890 174.700 0.142 0.000 1.038 302 T CA 1.479 63.612 62.100 0.055 0.000 1.144 302 T CB -0.283 68.623 68.868 0.063 0.000 0.866 302 T HN 0.193 nan 8.240 nan 0.000 0.434 303 A N 1.627 124.537 122.820 0.149 0.000 1.883 303 A HA 0.066 4.389 4.320 0.004 0.000 0.217 303 A C 2.654 180.300 177.584 0.104 0.000 1.186 303 A CA 2.006 54.131 52.037 0.147 0.000 0.624 303 A CB -1.190 17.849 19.000 0.065 0.000 0.822 303 A HN 0.517 nan 8.150 nan 0.000 0.444 304 A N -1.001 121.866 122.820 0.079 0.000 1.933 304 A HA -0.015 4.307 4.320 0.004 0.000 0.218 304 A C 2.148 179.766 177.584 0.056 0.000 1.175 304 A CA 1.602 53.678 52.037 0.064 0.000 0.628 304 A CB -0.510 18.538 19.000 0.080 0.000 0.814 304 A HN 0.501 nan 8.150 nan 0.000 0.444 305 L N -1.383 119.864 121.223 0.039 0.000 2.156 305 L HA -0.103 4.239 4.340 0.004 0.000 0.208 305 L C 2.311 179.170 176.870 -0.018 0.000 1.095 305 L CA 1.706 56.538 54.840 -0.012 0.000 0.770 305 L CB -0.433 41.588 42.059 -0.064 0.000 0.914 305 L HN 0.546 nan 8.230 nan 0.000 0.439 306 H N -1.832 117.272 119.070 0.057 0.000 2.387 306 H HA -0.225 4.334 4.556 0.004 0.000 0.299 306 H C 1.873 177.242 175.328 0.067 0.000 1.099 306 H CA 2.027 58.142 56.048 0.112 0.000 1.315 306 H CB 0.041 29.851 29.762 0.080 0.000 1.380 306 H HN 0.222 nan 8.280 nan 0.000 0.513 307 L N 0.054 121.346 121.223 0.115 0.000 2.131 307 L HA 0.075 4.418 4.340 0.004 0.000 0.206 307 L C 2.338 179.238 176.870 0.050 0.000 1.087 307 L CA 1.462 56.329 54.840 0.045 0.000 0.767 307 L CB -0.747 41.304 42.059 -0.013 0.000 0.917 307 L HN 0.229 nan 8.230 nan 0.000 0.441 308 A N -0.121 122.723 122.820 0.040 0.000 1.883 308 A HA -0.149 4.173 4.320 0.004 0.000 0.217 308 A C 2.451 180.037 177.584 0.003 0.000 1.186 308 A CA 1.907 53.956 52.037 0.021 0.000 0.624 308 A CB -1.291 17.718 19.000 0.015 0.000 0.822 308 A HN 0.542 nan 8.150 nan 0.000 0.444 309 A N 0.159 122.971 122.820 -0.014 0.000 1.978 309 A HA -0.081 4.241 4.320 0.004 0.000 0.220 309 A C 2.298 179.867 177.584 -0.026 0.000 1.170 309 A CA 2.221 54.219 52.037 -0.066 0.000 0.636 309 A CB -0.814 18.092 19.000 -0.156 0.000 0.810 309 A HN 1.074 nan 8.150 nan 0.000 0.448 310 S N -1.290 114.448 115.700 0.064 0.000 2.593 310 S HA 0.109 4.581 4.470 0.004 0.000 0.217 310 S C 0.525 175.164 174.600 0.066 0.000 0.966 310 S CA 0.319 58.582 58.200 0.105 0.000 0.914 310 S CB -0.521 62.786 63.200 0.179 0.000 0.776 310 S HN 0.320 nan 8.310 nan 0.000 0.523 311 T N 4.884 119.462 114.554 0.040 0.000 2.869 311 T HA 0.403 4.755 4.350 0.004 0.000 0.295 311 T C -2.701 172.011 174.700 0.021 0.000 0.987 311 T CA -1.169 60.951 62.100 0.034 0.000 1.109 311 T CB 0.857 69.743 68.868 0.030 0.000 0.932 311 T HN 0.127 nan 8.240 nan 0.000 0.518 312 P HA 0.035 nan 4.420 nan 0.000 0.264 312 P C 0.823 178.129 177.300 0.009 0.000 1.183 312 P CA 0.059 63.169 63.100 0.016 0.000 0.763 312 P CB 0.538 32.250 31.700 0.020 0.000 0.807 313 E N 4.535 124.736 120.200 0.001 0.000 2.097 313 E HA -0.276 4.076 4.350 0.004 0.000 0.196 313 E C 1.749 178.354 176.600 0.007 0.000 1.000 313 E CA 2.079 58.477 56.400 -0.004 0.000 0.804 313 E CB -0.965 28.729 29.700 -0.011 0.000 0.740 313 E HN 0.398 nan 8.360 nan 0.000 0.454 314 A N 0.293 123.122 122.820 0.016 0.000 2.032 314 A HA -0.236 4.087 4.320 0.004 0.000 0.221 314 A C 1.622 179.233 177.584 0.044 0.000 1.165 314 A CA 1.974 54.029 52.037 0.030 0.000 0.645 314 A CB -0.682 18.336 19.000 0.030 0.000 0.807 314 A HN 0.496 nan 8.150 nan 0.000 0.453 315 N N -2.088 116.635 118.700 0.039 0.000 2.205 315 N HA 0.136 4.878 4.740 0.004 0.000 0.201 315 N C 0.511 176.033 175.510 0.019 0.000 1.128 315 N CA -0.072 53.011 53.050 0.056 0.000 0.867 315 N CB 0.406 38.932 38.487 0.066 0.000 0.996 315 N HN 0.423 nan 8.380 nan 0.000 0.503 316 R N 1.453 121.948 120.500 -0.008 0.000 2.255 316 R HA 0.394 4.737 4.340 0.004 0.000 0.326 316 R C -0.839 175.404 176.300 -0.094 0.000 0.986 316 R CA -0.320 55.752 56.100 -0.048 0.000 0.847 316 R CB 0.534 30.817 30.300 -0.028 0.000 1.111 316 R HN 0.009 nan 8.270 nan 0.000 0.452 317 L N 2.429 123.523 121.223 -0.215 0.000 2.492 317 L HA 0.601 4.943 4.340 0.004 0.000 0.263 317 L C 0.533 177.322 176.870 -0.135 0.000 1.062 317 L CA -1.226 53.443 54.840 -0.286 0.000 0.817 317 L CB 0.980 42.583 42.059 -0.759 0.000 1.441 317 L HN 0.702 nan 8.230 nan 0.000 0.493 318 A N 0.184 123.006 122.820 0.004 0.000 2.448 318 A HA 0.402 4.724 4.320 0.004 0.000 0.239 318 A C -0.095 177.609 177.584 0.200 0.000 1.080 318 A CA -0.049 52.045 52.037 0.095 0.000 0.779 318 A CB 0.051 19.102 19.000 0.085 0.000 1.026 318 A HN 0.605 nan 8.150 nan 0.000 0.499 319 S N -0.439 115.335 115.700 0.123 0.000 2.593 319 S HA 0.485 4.957 4.470 0.004 0.000 0.297 319 S C -0.812 173.891 174.600 0.172 0.000 1.112 319 S CA -0.293 57.992 58.200 0.142 0.000 1.043 319 S CB 1.014 64.265 63.200 0.086 0.000 1.054 319 S HN 0.734 nan 8.310 nan 0.000 0.516 320 W N 3.199 124.470 121.300 -0.049 0.000 2.438 320 W HA 0.602 5.264 4.660 0.003 0.000 0.324 320 W C -1.611 174.882 176.519 -0.043 0.000 1.119 320 W CA -0.867 56.434 57.345 -0.073 0.000 1.221 320 W CB 0.419 29.784 29.460 -0.159 0.000 1.253 320 W HN 0.447 nan 8.180 nan 0.000 0.555 321 L N 6.759 127.598 121.223 -0.639 0.000 2.298 321 L HA 0.330 4.672 4.340 0.004 0.000 0.284 321 L C 1.285 177.383 176.870 -1.286 0.000 1.013 321 L CA -0.401 54.010 54.840 -0.714 0.000 0.824 321 L CB 1.381 43.104 42.059 -0.560 0.000 1.221 321 L HN 0.923 nan 8.230 nan 0.000 0.418 322 G N 1.573 109.650 108.800 -1.205 0.000 2.421 322 G HA2 -0.215 3.747 3.960 0.004 0.000 0.217 322 G HA3 -0.215 3.747 3.960 0.004 0.000 0.217 322 G C 1.382 176.061 174.900 -0.368 0.000 1.143 322 G CA 0.491 44.850 45.100 -1.234 0.000 0.784 322 G HN 0.890 nan 8.290 nan 0.000 0.541 323 H N 0.185 119.139 119.070 -0.194 0.000 2.518 323 H HA 0.179 4.737 4.556 0.004 0.000 0.289 323 H C 2.396 177.704 175.328 -0.033 0.000 1.051 323 H CA 0.937 56.956 56.048 -0.048 0.000 1.280 323 H CB -0.420 29.319 29.762 -0.037 0.000 1.380 323 H HN 0.286 nan 8.280 nan 0.000 0.566 324 A N 1.834 124.398 122.820 -0.426 0.000 2.076 324 A HA -0.191 4.131 4.320 0.004 0.000 0.220 324 A C 1.768 179.229 177.584 -0.206 0.000 1.160 324 A CA 1.350 53.223 52.037 -0.273 0.000 0.653 324 A CB -0.759 18.040 19.000 -0.335 0.000 0.801 324 A HN 0.600 nan 8.150 nan 0.000 0.455 325 H N -1.341 117.721 119.070 -0.014 0.000 2.551 325 H HA 0.289 4.847 4.556 0.003 0.000 0.271 325 H C -0.136 175.251 175.328 0.099 0.000 0.984 325 H CA -0.009 56.104 56.048 0.108 0.000 1.164 325 H CB 0.127 30.070 29.762 0.303 0.000 1.437 325 H HN 0.341 nan 8.280 nan 0.000 0.550 326 L N 0.298 121.616 121.223 0.157 0.000 2.312 326 L HA 0.278 4.621 4.340 0.004 0.000 0.281 326 L C 1.518 178.425 176.870 0.061 0.000 1.070 326 L CA -0.482 54.425 54.840 0.111 0.000 0.805 326 L CB 1.441 43.570 42.059 0.117 0.000 1.174 326 L HN 0.008 nan 8.230 nan 0.000 0.434 327 A N 2.226 125.070 122.820 0.040 0.000 1.902 327 A HA -0.082 4.240 4.320 0.004 0.000 0.217 327 A C 0.795 178.388 177.584 0.016 0.000 1.181 327 A CA 1.168 53.217 52.037 0.020 0.000 0.623 327 A CB -0.231 18.775 19.000 0.009 0.000 0.818 327 A HN 0.797 nan 8.150 nan 0.000 0.443 328 D N -1.304 119.106 120.400 0.016 0.000 2.442 328 D HA 0.450 5.093 4.640 0.004 0.000 0.254 328 D C -1.369 174.932 176.300 0.002 0.000 1.069 328 D CA -0.237 53.763 54.000 -0.000 0.000 1.017 328 D CB 1.177 41.968 40.800 -0.015 0.000 1.172 328 D HN 0.139 nan 8.370 nan 0.000 0.561 329 D N -0.043 120.344 120.400 -0.022 0.000 2.736 329 D HA 0.214 4.856 4.640 0.004 0.000 0.243 329 D C -2.005 174.256 176.300 -0.065 0.000 1.304 329 D CA -1.486 52.491 54.000 -0.037 0.000 0.934 329 D CB 2.150 42.925 40.800 -0.042 0.000 1.382 329 D HN -0.030 nan 8.370 nan 0.000 0.571 330 P HA 0.178 nan 4.420 nan 0.000 0.245 330 P C 0.754 177.981 177.300 -0.121 0.000 1.203 330 P CA 0.246 63.264 63.100 -0.137 0.000 0.792 330 P CB 0.255 31.807 31.700 -0.245 0.000 0.997 331 I N -2.808 117.709 120.570 -0.087 0.000 2.944 331 I HA 0.440 4.612 4.170 0.004 0.000 0.334 331 I C -2.784 173.276 176.117 -0.095 0.000 1.420 331 I CA -2.709 58.537 61.300 -0.091 0.000 0.856 331 I CB 0.798 38.761 38.000 -0.061 0.000 2.091 331 I HN -0.305 nan 8.210 nan 0.000 0.571 332 P HA 0.120 nan 4.420 nan 0.000 0.265 332 P C 1.090 178.346 177.300 -0.074 0.000 1.193 332 P CA 1.319 64.373 63.100 -0.077 0.000 0.765 332 P CB 0.980 32.645 31.700 -0.060 0.000 0.823 333 G N 1.445 110.200 108.800 -0.075 0.000 2.176 333 G HA2 -0.216 3.746 3.960 0.004 0.000 0.253 333 G HA3 -0.216 3.746 3.960 0.004 0.000 0.253 333 G C -0.030 174.831 174.900 -0.064 0.000 0.979 333 G CA -0.162 44.901 45.100 -0.062 0.000 0.641 333 G HN 0.625 nan 8.290 nan 0.000 0.530 334 Q N -0.627 119.123 119.800 -0.084 0.000 2.387 334 Q HA 0.588 4.931 4.340 0.004 0.000 0.273 334 Q C 0.478 176.421 176.000 -0.095 0.000 1.089 334 Q CA -0.198 55.559 55.803 -0.078 0.000 0.824 334 Q CB 2.287 30.974 28.738 -0.084 0.000 1.367 334 Q HN 1.629 nan 8.270 nan 0.000 0.443 335 G N 0.495 109.258 108.800 -0.062 0.000 2.795 335 G HA2 -0.036 3.926 3.960 0.004 0.000 0.664 335 G HA3 -0.036 3.926 3.960 0.004 0.000 0.664 335 G C -0.619 174.245 174.900 -0.060 0.000 1.381 335 G CA -0.590 44.475 45.100 -0.060 0.000 0.853 335 G HN 0.817 nan 8.290 nan 0.000 0.545 336 A N 1.017 123.809 122.820 -0.047 0.000 2.492 336 A HA 0.620 4.942 4.320 0.004 0.000 0.254 336 A C 0.857 178.451 177.584 0.017 0.000 1.091 336 A CA 0.567 52.584 52.037 -0.032 0.000 0.768 336 A CB 0.147 19.121 19.000 -0.043 0.000 1.028 336 A HN 0.805 nan 8.150 nan 0.000 0.498 337 R N 2.155 122.661 120.500 0.012 0.000 2.854 337 R HA 0.310 4.652 4.340 0.004 0.000 0.271 337 R C -0.640 175.672 176.300 0.020 0.000 0.994 337 R CA -1.027 55.111 56.100 0.064 0.000 0.945 337 R CB 1.090 31.397 30.300 0.012 0.000 1.194 337 R HN 0.845 nan 8.270 nan 0.000 0.476 338 N N 2.062 120.772 118.700 0.017 0.000 2.475 338 N HA 0.021 4.764 4.740 0.004 0.000 0.267 338 N C -0.776 174.685 175.510 -0.081 0.000 1.169 338 N CA 0.493 53.499 53.050 -0.072 0.000 0.947 338 N CB 0.597 39.007 38.487 -0.129 0.000 1.061 338 N HN 0.269 nan 8.380 nan 0.000 0.466 339 R N 3.056 123.497 120.500 -0.099 0.000 2.545 339 R HA 0.121 4.464 4.340 0.004 0.000 0.289 339 R C -0.896 175.340 176.300 -0.107 0.000 1.327 339 R CA -0.436 55.612 56.100 -0.087 0.000 1.040 339 R CB 0.453 30.713 30.300 -0.066 0.000 1.176 339 R HN 0.646 nan 8.270 nan 0.000 0.518 340 D N 1.491 121.816 120.400 -0.126 0.000 2.835 340 D HA -0.161 4.481 4.640 0.004 0.000 0.230 340 D C 0.698 176.896 176.300 -0.169 0.000 1.130 340 D CA 1.687 55.610 54.000 -0.128 0.000 0.738 340 D CB -0.747 40.001 40.800 -0.085 0.000 1.090 340 D HN 1.030 nan 8.370 nan 0.000 0.433 341 G N -0.742 107.904 108.800 -0.257 0.000 2.147 341 G HA2 -0.259 3.703 3.960 0.004 0.000 0.244 341 G HA3 -0.259 3.703 3.960 0.004 0.000 0.244 341 G C 0.109 174.896 174.900 -0.188 0.000 1.005 341 G CA 0.530 45.446 45.100 -0.306 0.000 0.713 341 G HN 0.477 nan 8.290 nan 0.000 0.515 342 L N -0.767 120.366 121.223 -0.149 0.000 2.445 342 L HA 0.847 5.190 4.340 0.004 0.000 0.262 342 L C 0.016 176.830 176.870 -0.093 0.000 0.974 342 L CA -0.643 54.133 54.840 -0.106 0.000 0.822 342 L CB 2.420 44.422 42.059 -0.094 0.000 1.339 342 L HN 0.449 nan 8.230 nan 0.000 0.409 343 A N 0.946 123.719 122.820 -0.079 0.000 2.359 343 A HA 0.809 5.131 4.320 0.004 0.000 0.303 343 A C -0.685 176.845 177.584 -0.090 0.000 1.066 343 A CA -0.448 51.547 52.037 -0.070 0.000 0.730 343 A CB 1.475 20.447 19.000 -0.046 0.000 1.211 343 A HN 0.558 nan 8.150 nan 0.000 0.439 344 T N 5.545 120.043 114.554 -0.095 0.000 2.767 344 T HA 0.605 4.957 4.350 0.004 0.000 0.284 344 T C -2.508 172.115 174.700 -0.129 0.000 0.973 344 T CA -0.932 61.092 62.100 -0.126 0.000 0.996 344 T CB 1.258 70.062 68.868 -0.108 0.000 0.927 344 T HN 0.582 nan 8.240 nan 0.000 0.456 345 P HA 0.354 nan 4.420 nan 0.000 0.276 345 P C -2.769 174.501 177.300 -0.050 0.000 1.244 345 P CA -1.785 61.180 63.100 -0.226 0.000 0.801 345 P CB -0.156 31.290 31.700 -0.423 0.000 1.006 346 P HA 0.142 nan 4.420 nan 0.000 0.272 346 P C 0.387 177.925 177.300 0.397 0.000 1.240 346 P CA 0.049 63.254 63.100 0.175 0.000 0.791 346 P CB 0.246 32.041 31.700 0.158 0.000 0.978 347 S N -1.056 114.839 115.700 0.325 0.000 2.603 347 S HA 0.343 4.815 4.470 0.004 0.000 0.232 347 S C 0.581 175.271 174.600 0.150 0.000 1.016 347 S CA -0.284 58.139 58.200 0.372 0.000 0.976 347 S CB 0.007 63.438 63.200 0.385 0.000 0.921 347 S HN 0.630 nan 8.310 nan 0.000 0.516 348 A N 2.933 125.825 122.820 0.120 0.000 2.366 348 A HA 0.563 4.885 4.320 0.004 0.000 0.249 348 A C -2.618 174.974 177.584 0.013 0.000 1.084 348 A CA -1.232 50.839 52.037 0.057 0.000 0.794 348 A CB -0.375 18.660 19.000 0.059 0.000 1.034 348 A HN 0.108 nan 8.150 nan 0.000 0.491 349 P HA 0.376 nan 4.420 nan 0.000 0.269 349 P C 0.866 178.148 177.300 -0.030 0.000 1.209 349 P CA 1.675 64.749 63.100 -0.044 0.000 0.776 349 P CB 0.443 32.127 31.700 -0.028 0.000 0.876 350 G N 1.220 109.984 108.800 -0.060 0.000 2.562 350 G HA2 -0.302 3.660 3.960 0.004 0.000 0.250 350 G HA3 -0.302 3.660 3.960 0.004 0.000 0.250 350 G C 0.716 175.560 174.900 -0.093 0.000 1.269 350 G CA 0.006 45.082 45.100 -0.041 0.000 0.919 350 G HN 0.498 nan 8.290 nan 0.000 0.574 351 L N 1.105 122.312 121.223 -0.026 0.000 2.083 351 L HA 0.210 4.552 4.340 0.004 0.000 0.209 351 L C 2.636 179.597 176.870 0.153 0.000 1.083 351 L CA 2.150 56.997 54.840 0.011 0.000 0.752 351 L CB -0.663 41.439 42.059 0.072 0.000 0.899 351 L HN 2.281 nan 8.230 nan 0.000 0.433 352 G N -0.320 108.540 108.800 0.100 0.000 2.141 352 G HA2 -0.233 3.729 3.960 0.004 0.000 0.242 352 G HA3 -0.233 3.729 3.960 0.004 0.000 0.242 352 G C -0.050 174.885 174.900 0.059 0.000 0.982 352 G CA 0.227 45.390 45.100 0.105 0.000 0.662 352 G HN 0.378 nan 8.290 nan 0.000 0.527 353 V N -0.334 119.596 119.914 0.028 0.000 2.709 353 V HA 0.850 4.972 4.120 0.004 0.000 0.308 353 V C -0.589 175.437 176.094 -0.113 0.000 1.062 353 V CA -1.331 60.941 62.300 -0.046 0.000 0.901 353 V CB 1.872 33.657 31.823 -0.064 0.000 1.003 353 V HN 0.437 nan 8.190 nan 0.000 0.425 354 I N 6.953 127.416 120.570 -0.178 0.000 2.466 354 I HA 0.454 4.626 4.170 0.004 0.000 0.279 354 I C -2.524 173.328 176.117 -0.441 0.000 1.033 354 I CA -1.811 59.317 61.300 -0.286 0.000 1.123 354 I CB 2.032 39.971 38.000 -0.101 0.000 1.237 354 I HN 0.484 nan 8.210 nan 0.000 0.460 355 P HA 0.054 nan 4.420 nan 0.000 0.271 355 P C -0.765 176.204 177.300 -0.552 0.000 1.216 355 P CA -0.152 62.503 63.100 -0.743 0.000 0.776 355 P CB 0.649 31.623 31.700 -1.210 0.000 0.881 356 D N 3.310 123.522 120.400 -0.313 0.000 2.313 356 D HA 0.153 4.795 4.640 0.004 0.000 0.239 356 D C -1.661 174.538 176.300 -0.169 0.000 1.142 356 D CA -2.305 51.592 54.000 -0.170 0.000 0.847 356 D CB 0.821 41.556 40.800 -0.109 0.000 1.082 356 D HN 0.091 nan 8.370 nan 0.000 0.480 357 P HA -0.106 nan 4.420 nan 0.000 0.219 357 P C 0.922 178.229 177.300 0.012 0.000 1.146 357 P CA 0.789 63.868 63.100 -0.035 0.000 0.808 357 P CB 0.391 32.221 31.700 0.216 0.000 0.779 358 E N -0.160 120.049 120.200 0.015 0.000 2.153 358 E HA -0.129 4.223 4.350 0.004 0.000 0.194 358 E C 1.927 178.515 176.600 -0.020 0.000 0.988 358 E CA 1.374 57.784 56.400 0.016 0.000 0.811 358 E CB -0.718 28.988 29.700 0.009 0.000 0.746 358 E HN 0.244 nan 8.360 nan 0.000 0.466 359 A N 0.689 123.467 122.820 -0.069 0.000 2.167 359 A HA 0.011 4.333 4.320 0.004 0.000 0.214 359 A C 2.155 179.671 177.584 -0.115 0.000 1.151 359 A CA 0.478 52.459 52.037 -0.093 0.000 0.735 359 A CB -0.254 18.674 19.000 -0.120 0.000 0.802 359 A HN 0.125 nan 8.150 nan 0.000 0.467 360 L N -1.849 119.301 121.223 -0.123 0.000 2.408 360 L HA 0.357 4.699 4.340 0.004 0.000 0.215 360 L C 1.302 178.187 176.870 0.025 0.000 1.081 360 L CA 0.535 55.288 54.840 -0.145 0.000 0.840 360 L CB -0.412 41.430 42.059 -0.362 0.000 1.002 360 L HN 0.562 nan 8.230 nan 0.000 0.468 361 G N 0.489 109.345 108.800 0.093 0.000 2.498 361 G HA2 -0.143 3.820 3.960 0.004 0.000 0.651 361 G HA3 -0.143 3.820 3.960 0.004 0.000 0.651 361 G C -0.801 174.247 174.900 0.248 0.000 1.284 361 G CA -0.890 44.291 45.100 0.135 0.000 0.950 361 G HN 0.047 nan 8.290 nan 0.000 0.511 362 R N 0.811 121.400 120.500 0.148 0.000 2.340 362 R HA 0.445 4.788 4.340 0.004 0.000 0.300 362 R C -2.056 174.259 176.300 0.026 0.000 1.069 362 R CA -1.250 54.911 56.100 0.102 0.000 0.984 362 R CB 0.601 30.926 30.300 0.041 0.000 1.003 362 R HN 0.333 nan 8.270 nan 0.000 0.459 363 P HA -0.112 nan 4.420 nan 0.000 0.264 363 P C 0.688 177.844 177.300 -0.239 0.000 1.183 363 P CA 0.177 62.983 63.100 -0.490 0.000 0.763 363 P CB 0.561 31.932 31.700 -0.549 0.000 0.807 364 V N 0.330 120.132 119.914 -0.186 0.000 3.406 364 V HA 0.510 4.633 4.120 0.004 0.000 0.263 364 V C 0.548 176.563 176.094 -0.131 0.000 1.172 364 V CA 0.985 63.235 62.300 -0.082 0.000 1.140 364 V CB -0.946 30.897 31.823 0.034 0.000 0.784 364 V HN 0.620 nan 8.190 nan 0.000 0.467 365 A N -1.038 121.645 122.820 -0.229 0.000 2.597 365 A HA 0.779 5.101 4.320 0.004 0.000 0.292 365 A C -0.699 176.598 177.584 -0.478 0.000 1.057 365 A CA 0.180 52.012 52.037 -0.341 0.000 0.674 365 A CB 1.367 20.209 19.000 -0.263 0.000 1.278 365 A HN 0.534 nan 8.150 nan 0.000 0.416 366 S N -0.554 114.699 115.700 -0.746 0.000 2.562 366 S HA 0.705 5.177 4.470 0.004 0.000 0.274 366 S C -2.201 171.942 174.600 -0.762 0.000 1.160 366 S CA -0.274 57.584 58.200 -0.571 0.000 0.933 366 S CB 0.676 63.678 63.200 -0.330 0.000 1.100 366 S HN 0.803 nan 8.310 nan 0.000 0.468 367 Y N 1.891 122.148 120.300 -0.073 0.000 2.361 367 Y HA 0.552 5.104 4.550 0.004 0.000 0.337 367 Y C -0.100 175.765 175.900 -0.058 0.000 0.965 367 Y CA -0.803 57.259 58.100 -0.062 0.000 1.091 367 Y CB 1.661 40.084 38.460 -0.061 0.000 1.182 367 Y HN 0.551 nan 8.280 nan 0.000 0.450 368 D N 0.952 121.393 120.400 0.068 0.000 2.450 368 D HA 0.501 5.144 4.640 0.004 0.000 0.238 368 D C -0.778 175.534 176.300 0.020 0.000 1.020 368 D CA -0.769 53.245 54.000 0.024 0.000 1.010 368 D CB 1.442 42.239 40.800 -0.005 0.000 1.342 368 D HN 0.552 nan 8.370 nan 0.000 0.530 369 E N 0.000 120.201 120.200 0.002 0.000 2.725 369 E HA 0.000 4.352 4.350 0.004 0.000 0.291 369 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 369 E CB 0.000 29.691 29.700 -0.016 0.000 0.812 369 E HN 0.000 nan 8.360 nan 0.000 0.440