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 2qdd_1_B 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 GHHHHHH 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 0.000 174.588 174.600 -0.020 0.000 1.055 0 S CA 0.000 58.186 58.200 -0.023 0.000 1.107 0 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 1 L N 3.668 124.877 121.223 -0.023 0.000 2.525 1 L HA 0.506 4.847 4.340 0.001 0.000 0.278 1 L C 0.138 176.997 176.870 -0.020 0.000 1.218 1 L CA 0.954 55.781 54.840 -0.022 0.000 0.878 1 L CB 0.178 42.220 42.059 -0.027 0.000 1.127 1 L HN 0.411 nan 8.230 nan 0.000 0.492 2 R N 4.475 124.965 120.500 -0.017 0.000 2.651 2 R HA 0.504 4.845 4.340 0.001 0.000 0.278 2 R C -1.080 175.210 176.300 -0.017 0.000 1.010 2 R CA -0.997 55.094 56.100 -0.014 0.000 0.896 2 R CB 1.544 31.838 30.300 -0.011 0.000 1.211 2 R HN 0.560 nan 8.270 nan 0.000 0.456 3 I N 1.392 121.951 120.570 -0.018 0.000 2.556 3 I HA 0.003 4.174 4.170 0.001 0.000 0.284 3 I C 0.975 177.081 176.117 -0.018 0.000 1.114 3 I CA 0.590 61.877 61.300 -0.022 0.000 1.418 3 I CB 1.310 39.294 38.000 -0.027 0.000 1.394 3 I HN 0.709 nan 8.210 nan 0.000 0.552 4 T N 4.863 119.406 114.554 -0.018 0.000 3.026 4 T HA 0.187 4.538 4.350 0.001 0.000 0.245 4 T C 0.541 175.235 174.700 -0.009 0.000 1.004 4 T CA 0.227 62.319 62.100 -0.012 0.000 1.069 4 T CB 0.324 69.186 68.868 -0.010 0.000 1.005 4 T HN 0.470 nan 8.240 nan 0.000 0.472 5 R N 0.595 121.087 120.500 -0.013 0.000 2.626 5 R HA 0.578 4.918 4.340 0.001 0.000 0.274 5 R C -2.111 174.185 176.300 -0.005 0.000 1.031 5 R CA -0.520 55.578 56.100 -0.004 0.000 0.898 5 R CB 1.354 31.644 30.300 -0.017 0.000 1.222 5 R HN 0.145 nan 8.270 nan 0.000 0.455 6 L N 2.513 123.762 121.223 0.045 0.000 2.333 6 L HA 0.529 4.870 4.340 0.001 0.000 0.280 6 L C -0.560 176.358 176.870 0.080 0.000 1.004 6 L CA -0.701 54.176 54.840 0.061 0.000 0.820 6 L CB 2.298 44.415 42.059 0.095 0.000 1.247 6 L HN 0.567 nan 8.230 nan 0.000 0.416 7 T N 2.181 116.732 114.554 -0.005 0.000 2.812 7 T HA 0.527 4.878 4.350 0.001 0.000 0.282 7 T C -0.282 174.386 174.700 -0.052 0.000 0.990 7 T CA -0.500 61.546 62.100 -0.090 0.000 0.960 7 T CB 2.066 70.853 68.868 -0.136 0.000 0.948 7 T HN 0.167 nan 8.240 nan 0.000 0.438 8 V N 4.273 124.115 119.914 -0.120 0.000 2.398 8 V HA 0.568 4.688 4.120 0.001 0.000 0.286 8 V C -0.767 175.250 176.094 -0.128 0.000 1.026 8 V CA -0.761 61.556 62.300 0.027 0.000 0.868 8 V CB 0.514 32.400 31.823 0.104 0.000 0.982 8 V HN 0.777 nan 8.190 nan 0.000 0.443 9 F N 2.906 122.986 119.950 0.215 0.000 2.522 9 F HA 0.537 5.065 4.527 0.002 0.000 0.324 9 F C 0.220 176.162 175.800 0.236 0.000 1.077 9 F CA -0.561 57.566 58.000 0.211 0.000 0.944 9 F CB 1.548 40.700 39.000 0.254 0.000 1.175 9 F HN 0.532 nan 8.300 nan 0.000 0.468 10 H N 3.386 122.605 119.070 0.248 0.000 2.529 10 H HA 0.612 5.169 4.556 0.001 0.000 0.348 10 H C -1.963 173.424 175.328 0.098 0.000 1.079 10 H CA -0.949 55.193 56.048 0.156 0.000 1.198 10 H CB 1.594 31.419 29.762 0.105 0.000 1.521 10 H HN 0.550 nan 8.280 nan 0.000 0.514 11 L N 4.928 125.982 121.223 -0.281 0.000 2.343 11 L HA 0.141 4.482 4.340 0.001 0.000 0.278 11 L C -0.378 176.287 176.870 -0.343 0.000 0.996 11 L CA -0.433 54.211 54.840 -0.326 0.000 0.831 11 L CB 1.572 43.483 42.059 -0.248 0.000 1.232 11 L HN 0.679 nan 8.230 nan 0.000 0.413 12 D N 3.680 123.859 120.400 -0.369 0.000 2.374 12 D HA 0.359 5.000 4.640 0.001 0.000 0.240 12 D C -0.835 175.397 176.300 -0.113 0.000 1.229 12 D CA 0.084 53.976 54.000 -0.180 0.000 0.895 12 D CB 0.402 41.119 40.800 -0.138 0.000 1.046 12 D HN 0.339 nan 8.370 nan 0.000 0.498 13 L N 6.576 127.754 121.223 -0.075 0.000 2.276 13 L HA 0.439 4.780 4.340 0.001 0.000 0.286 13 L C -1.976 174.846 176.870 -0.081 0.000 1.024 13 L CA -1.998 52.803 54.840 -0.066 0.000 0.826 13 L CB 1.425 43.465 42.059 -0.031 0.000 1.211 13 L HN 0.283 nan 8.230 nan 0.000 0.422 14 P HA 0.153 nan 4.420 nan 0.000 0.275 14 P C -0.606 176.638 177.300 -0.093 0.000 1.227 14 P CA -0.220 62.822 63.100 -0.097 0.000 0.781 14 P CB 1.023 32.680 31.700 -0.071 0.000 0.906 15 L N 2.174 123.312 121.223 -0.142 0.000 2.395 15 L HA 0.292 4.633 4.340 0.001 0.000 0.269 15 L C 1.925 178.769 176.870 -0.044 0.000 1.133 15 L CA -0.512 54.270 54.840 -0.097 0.000 0.812 15 L CB 0.568 42.508 42.059 -0.197 0.000 1.125 15 L HN 0.390 nan 8.230 nan 0.000 0.452 16 A N 2.215 125.041 122.820 0.010 0.000 1.898 16 A HA -0.073 4.248 4.320 0.001 0.000 0.216 16 A C 1.048 178.638 177.584 0.009 0.000 1.181 16 A CA 1.260 53.301 52.037 0.007 0.000 0.620 16 A CB -0.116 18.890 19.000 0.010 0.000 0.819 16 A HN 0.560 nan 8.150 nan 0.000 0.442 17 K N 1.122 121.545 120.400 0.038 0.000 2.347 17 K HA 0.473 4.794 4.320 0.001 0.000 0.262 17 K C -2.665 173.948 176.600 0.022 0.000 1.052 17 K CA -2.244 54.068 56.287 0.043 0.000 0.946 17 K CB 0.896 33.446 32.500 0.083 0.000 1.220 17 K HN 0.235 nan 8.250 nan 0.000 0.450 29 D N 4.123 124.205 120.400 -0.531 0.000 2.490 29 D HA 0.157 4.798 4.640 0.001 0.000 0.246 29 D C -0.219 175.794 176.300 -0.479 0.000 1.196 29 D CA 0.040 53.771 54.000 -0.447 0.000 0.812 29 D CB 0.518 41.204 40.800 -0.190 0.000 1.191 29 D HN 0.614 nan 8.370 nan 0.000 0.531 30 R N -0.100 120.068 120.500 -0.554 0.000 2.799 30 R HA 0.707 5.048 4.340 0.001 0.000 0.270 30 R C -1.047 175.053 176.300 -0.333 0.000 1.010 30 R CA -0.981 54.900 56.100 -0.364 0.000 0.916 30 R CB 1.571 31.775 30.300 -0.161 0.000 1.228 30 R HN -0.137 nan 8.270 nan 0.000 0.469 31 L N 0.765 121.879 121.223 -0.180 0.000 2.334 31 L HA 0.370 4.711 4.340 0.001 0.000 0.276 31 L C -0.655 176.258 176.870 0.072 0.000 1.014 31 L CA -0.981 53.834 54.840 -0.042 0.000 0.815 31 L CB 1.915 43.951 42.059 -0.039 0.000 1.268 31 L HN 0.636 nan 8.230 nan 0.000 0.428 32 D N 1.937 122.433 120.400 0.161 0.000 2.396 32 D HA 0.186 4.827 4.640 0.001 0.000 0.225 32 D C -0.746 175.708 176.300 0.256 0.000 1.121 32 D CA 0.214 54.362 54.000 0.247 0.000 0.853 32 D CB 1.414 42.362 40.800 0.246 0.000 1.043 32 D HN 0.322 nan 8.370 nan 0.000 0.500 33 S N 2.337 118.190 115.700 0.254 0.000 2.549 33 S HA 0.623 5.094 4.470 0.001 0.000 0.297 33 S C -0.621 174.179 174.600 0.332 0.000 1.115 33 S CA -0.473 57.890 58.200 0.272 0.000 1.059 33 S CB 1.137 64.469 63.200 0.219 0.000 1.046 33 S HN 0.349 nan 8.310 nan 0.000 0.506 34 T N 4.184 118.960 114.554 0.371 0.000 2.786 34 T HA 0.399 4.750 4.350 0.001 0.000 0.283 34 T C -1.220 173.810 174.700 0.549 0.000 0.992 34 T CA -0.161 62.180 62.100 0.403 0.000 0.954 34 T CB 0.383 69.437 68.868 0.309 0.000 0.934 34 T HN 0.582 nan 8.240 nan 0.000 0.440 35 Y N 2.198 122.701 120.300 0.338 0.000 2.334 35 Y HA 0.614 5.165 4.550 0.001 0.000 0.328 35 Y C -0.187 175.982 175.900 0.449 0.000 1.130 35 Y CA -1.315 57.028 58.100 0.404 0.000 1.163 35 Y CB 1.411 40.127 38.460 0.426 0.000 1.207 35 Y HN 0.383 nan 8.280 nan 0.000 0.471 36 L N 5.171 126.652 121.223 0.430 0.000 2.372 36 L HA 0.472 4.813 4.340 0.001 0.000 0.274 36 L C -0.953 175.874 176.870 -0.072 0.000 0.988 36 L CA -0.608 54.363 54.840 0.218 0.000 0.833 36 L CB 1.376 43.518 42.059 0.138 0.000 1.236 36 L HN 0.594 nan 8.230 nan 0.000 0.410 37 R N 5.625 125.933 120.500 -0.320 0.000 2.265 37 R HA 0.639 4.980 4.340 0.001 0.000 0.319 37 R C -1.264 174.823 176.300 -0.354 0.000 1.006 37 R CA -0.465 55.157 56.100 -0.798 0.000 0.880 37 R CB 0.760 30.456 30.300 -1.007 0.000 1.077 37 R HN 0.751 nan 8.270 nan 0.000 0.454 38 I N 4.378 124.755 120.570 -0.322 0.000 2.382 38 I HA 0.235 4.406 4.170 0.001 0.000 0.286 38 I C -0.632 175.401 176.117 -0.140 0.000 1.002 38 I CA -0.819 60.386 61.300 -0.159 0.000 1.135 38 I CB 1.834 39.776 38.000 -0.097 0.000 1.288 38 I HN 0.501 nan 8.210 nan 0.000 0.448 39 D N 4.443 124.786 120.400 -0.094 0.000 2.181 39 D HA 0.436 5.077 4.640 0.001 0.000 0.248 39 D C 0.134 176.411 176.300 -0.037 0.000 1.020 39 D CA -0.004 53.960 54.000 -0.060 0.000 0.891 39 D CB 2.342 43.117 40.800 -0.042 0.000 1.187 39 D HN 0.536 nan 8.370 nan 0.000 0.443 40 T N -2.452 112.087 114.554 -0.025 0.000 2.940 40 T HA 0.247 4.598 4.350 0.001 0.000 0.288 40 T C 0.856 175.550 174.700 -0.010 0.000 1.045 40 T CA -0.753 61.336 62.100 -0.018 0.000 1.018 40 T CB 1.531 70.388 68.868 -0.019 0.000 1.151 40 T HN 0.236 nan 8.240 nan 0.000 0.529 41 D N -0.129 120.267 120.400 -0.008 0.000 2.264 41 D HA -0.097 4.544 4.640 0.001 0.000 0.208 41 D C 1.049 177.348 176.300 -0.001 0.000 0.966 41 D CA 0.890 54.888 54.000 -0.003 0.000 0.864 41 D CB -0.240 40.558 40.800 -0.002 0.000 0.933 41 D HN 0.792 nan 8.370 nan 0.000 0.499 42 E N -0.676 119.522 120.200 -0.003 0.000 2.444 42 E HA 0.342 4.693 4.350 0.001 0.000 0.191 42 E C 1.049 177.651 176.600 0.003 0.000 1.041 42 E CA 0.259 56.658 56.400 -0.001 0.000 0.883 42 E CB 0.316 30.013 29.700 -0.004 0.000 1.024 42 E HN 0.398 nan 8.360 nan 0.000 0.470 43 G N 1.051 109.854 108.800 0.005 0.000 2.179 43 G HA2 -0.288 3.673 3.960 0.001 0.000 0.260 43 G HA3 -0.288 3.673 3.960 0.001 0.000 0.260 43 G C 0.296 175.205 174.900 0.016 0.000 0.977 43 G CA 0.342 45.449 45.100 0.012 0.000 0.641 43 G HN 0.340 nan 8.290 nan 0.000 0.533 44 V N 1.294 121.214 119.914 0.009 0.000 2.530 44 V HA 0.729 4.850 4.120 0.001 0.000 0.282 44 V C 0.179 176.277 176.094 0.007 0.000 1.048 44 V CA 0.891 63.199 62.300 0.014 0.000 0.997 44 V CB 1.476 33.303 31.823 0.007 0.000 0.987 44 V HN 0.345 nan 8.190 nan 0.000 0.477 45 T N 5.707 120.276 114.554 0.025 0.000 2.848 45 T HA 0.706 5.056 4.350 0.001 0.000 0.285 45 T C -0.013 174.699 174.700 0.021 0.000 0.995 45 T CA 0.036 62.135 62.100 -0.002 0.000 0.970 45 T CB 1.354 70.237 68.868 0.024 0.000 0.976 45 T HN 1.099 nan 8.240 nan 0.000 0.441 46 G N 1.604 110.367 108.800 -0.061 0.000 2.448 46 G HA2 0.645 4.606 3.960 0.001 0.000 0.324 46 G HA3 0.645 4.606 3.960 0.001 0.000 0.324 46 G C -1.759 173.074 174.900 -0.110 0.000 1.203 46 G CA -0.700 44.402 45.100 0.004 0.000 0.954 46 G HN 0.611 nan 8.290 nan 0.000 0.480 47 W N 0.035 121.340 121.300 0.007 0.000 2.666 47 W HA 0.670 5.331 4.660 0.001 0.000 0.334 47 W C 0.330 176.821 176.519 -0.046 0.000 1.051 47 W CA -0.391 56.937 57.345 -0.028 0.000 1.224 47 W CB 2.888 32.295 29.460 -0.088 0.000 1.405 47 W HN 0.803 nan 8.180 nan 0.000 0.513 48 G N 1.106 110.014 108.800 0.181 0.000 2.612 48 G HA2 0.572 4.533 3.960 0.001 0.000 0.298 48 G HA3 0.572 4.533 3.960 0.001 0.000 0.298 48 G C -2.012 172.912 174.900 0.040 0.000 1.336 48 G CA -0.708 44.451 45.100 0.099 0.000 0.953 48 G HN 0.379 nan 8.290 nan 0.000 0.482 49 E N 0.186 120.401 120.200 0.026 0.000 2.222 49 E HA 0.625 4.976 4.350 0.001 0.000 0.267 49 E C -0.487 176.225 176.600 0.187 0.000 0.884 49 E CA -1.028 55.427 56.400 0.093 0.000 0.764 49 E CB 1.878 31.598 29.700 0.034 0.000 1.169 49 E HN 0.665 nan 8.360 nan 0.000 0.413 50 G N 2.359 111.310 108.800 0.251 0.000 2.574 50 G HA2 0.422 4.383 3.960 0.001 0.000 0.306 50 G HA3 0.422 4.383 3.960 0.001 0.000 0.306 50 G C -1.394 173.686 174.900 0.300 0.000 1.334 50 G CA -0.459 44.799 45.100 0.264 0.000 0.954 50 G HN 0.502 nan 8.290 nan 0.000 0.500 51 C N 5.368 124.850 119.300 0.302 0.000 2.801 51 C HA 0.593 5.054 4.460 0.001 0.000 0.296 51 C C -2.492 172.695 174.990 0.329 0.000 1.054 51 C CA -1.934 57.268 59.018 0.307 0.000 1.442 51 C CB 0.316 28.238 27.740 0.302 0.000 1.860 51 C HN 0.546 nan 8.230 nan 0.000 0.459 52 P HA 0.024 nan 4.420 nan 0.000 0.269 52 P C -0.245 177.266 177.300 0.353 0.000 1.209 52 P CA 0.096 63.386 63.100 0.317 0.000 0.776 52 P CB 0.420 32.257 31.700 0.229 0.000 0.876 53 W N 5.075 126.483 121.300 0.179 0.000 1.836 53 W HA 0.322 4.983 4.660 0.001 0.000 0.449 53 W C 0.446 176.964 176.519 -0.001 0.000 0.787 53 W CA 1.020 58.423 57.345 0.097 0.000 1.729 53 W CB -0.674 28.690 29.460 -0.160 0.000 1.802 53 W HN 0.740 nan 8.180 nan 0.000 0.257 54 G N 3.217 111.977 108.800 -0.067 0.000 2.698 54 G HA2 -0.393 3.568 3.960 0.001 0.000 0.233 54 G HA3 -0.393 3.568 3.960 0.001 0.000 0.233 54 G C 0.071 174.958 174.900 -0.021 0.000 1.352 54 G CA 0.468 45.462 45.100 -0.176 0.000 0.879 54 G HN 0.846 nan 8.290 nan 0.000 0.567 55 H N -2.436 116.628 119.070 -0.010 0.000 2.586 55 H HA 0.628 5.185 4.556 0.001 0.000 0.273 55 H C 1.778 177.078 175.328 -0.048 0.000 0.997 55 H CA 0.884 56.937 56.048 0.008 0.000 1.177 55 H CB 0.436 30.214 29.762 0.027 0.000 1.471 55 H HN 0.359 nan 8.280 nan 0.000 0.538 56 S N -0.649 114.926 115.700 -0.209 0.000 2.559 56 S HA 0.033 4.504 4.470 0.001 0.000 0.226 56 S C 0.762 175.349 174.600 -0.022 0.000 1.000 56 S CA -0.369 57.748 58.200 -0.138 0.000 0.948 56 S CB -0.095 62.946 63.200 -0.264 0.000 0.870 56 S HN 0.468 nan 8.310 nan 0.000 0.497 57 Y N 2.026 122.264 120.300 -0.103 0.000 2.230 57 Y HA 0.472 5.023 4.550 0.001 0.000 0.294 57 Y C 0.406 176.289 175.900 -0.027 0.000 1.120 57 Y CA 0.506 58.580 58.100 -0.044 0.000 1.129 57 Y CB 0.097 38.587 38.460 0.050 0.000 1.040 57 Y HN 0.061 nan 8.280 nan 0.000 0.519 58 L N 0.188 121.323 121.223 -0.146 0.000 2.257 58 L HA 0.416 4.757 4.340 0.001 0.000 0.257 58 L C -2.291 174.508 176.870 -0.119 0.000 1.033 58 L CA -2.428 52.293 54.840 -0.198 0.000 0.835 58 L CB 1.961 43.922 42.059 -0.163 0.000 1.398 58 L HN -0.149 nan 8.230 nan 0.000 0.429 59 P HA 0.183 nan 4.420 nan 0.000 0.252 59 P C -1.284 175.815 177.300 -0.334 0.000 1.694 59 P CA 0.277 63.279 63.100 -0.164 0.000 1.163 59 P CB -0.002 31.607 31.700 -0.152 0.000 1.934 60 A N 2.548 125.102 122.820 -0.443 0.000 2.547 60 A HA 0.632 4.953 4.320 0.001 0.000 0.298 60 A C -1.290 176.141 177.584 -0.254 0.000 1.062 60 A CA -0.729 50.774 52.037 -0.890 0.000 0.748 60 A CB 0.772 19.508 19.000 -0.441 0.000 1.288 60 A HN 0.643 nan 8.150 nan 0.000 0.396 61 H N -0.775 118.058 119.070 -0.395 0.000 3.079 61 H HA 0.649 5.205 4.556 0.001 0.000 0.356 61 H C 0.802 176.230 175.328 0.167 0.000 1.221 61 H CA -0.534 55.520 56.048 0.010 0.000 1.185 61 H CB 1.209 31.002 29.762 0.053 0.000 1.882 61 H HN 0.936 nan 8.280 nan 0.000 0.543 62 G N 1.297 110.182 108.800 0.141 0.000 2.631 62 G HA2 -0.238 3.722 3.960 0.001 0.000 0.219 62 G HA3 -0.238 3.722 3.960 0.001 0.000 0.219 62 G C -0.930 173.935 174.900 -0.058 0.000 1.214 62 G CA 1.335 46.485 45.100 0.083 0.000 0.785 62 G HN 0.548 nan 8.290 nan 0.000 0.596 63 P HA -0.040 nan 4.420 nan 0.000 0.216 63 P C 2.073 179.216 177.300 -0.261 0.000 1.150 63 P CA 1.758 64.749 63.100 -0.182 0.000 0.837 63 P CB -0.472 31.171 31.700 -0.095 0.000 0.786 64 G N -0.455 107.931 108.800 -0.691 0.000 2.408 64 G HA2 -0.225 3.736 3.960 0.001 0.000 0.217 64 G HA3 -0.225 3.736 3.960 0.001 0.000 0.217 64 G C 1.523 176.444 174.900 0.035 0.000 1.150 64 G CA 0.276 45.207 45.100 -0.283 0.000 0.776 64 G HN 0.242 nan 8.290 nan 0.000 0.542 65 L N -0.249 121.052 121.223 0.130 0.000 2.017 65 L HA -0.010 4.331 4.340 0.001 0.000 0.208 65 L C 3.204 180.081 176.870 0.012 0.000 1.073 65 L CA 1.123 56.020 54.840 0.095 0.000 0.745 65 L CB -0.113 42.088 42.059 0.236 0.000 0.894 65 L HN 0.154 nan 8.230 nan 0.000 0.432 66 R N -0.804 119.709 120.500 0.021 0.000 2.090 66 R HA -0.067 4.274 4.340 0.001 0.000 0.228 66 R C 2.282 178.586 176.300 0.007 0.000 1.110 66 R CA 1.041 57.158 56.100 0.030 0.000 0.973 66 R CB -0.408 29.912 30.300 0.033 0.000 0.869 66 R HN 0.397 nan 8.270 nan 0.000 0.440 67 A N 0.901 123.709 122.820 -0.020 0.000 1.933 67 A HA -0.075 4.246 4.320 0.001 0.000 0.218 67 A C 2.346 179.882 177.584 -0.080 0.000 1.175 67 A CA 1.715 53.734 52.037 -0.030 0.000 0.628 67 A CB -1.017 17.972 19.000 -0.019 0.000 0.814 67 A HN 0.453 nan 8.150 nan 0.000 0.444 68 G N 0.158 108.886 108.800 -0.120 0.000 2.421 68 G HA2 -0.177 3.783 3.960 0.001 0.000 0.216 68 G HA3 -0.177 3.783 3.960 0.001 0.000 0.216 68 G C 1.514 176.315 174.900 -0.166 0.000 1.171 68 G CA 1.117 46.098 45.100 -0.198 0.000 0.775 68 G HN 0.480 nan 8.290 nan 0.000 0.543 69 I N 1.582 122.077 120.570 -0.124 0.000 2.163 69 I HA -0.202 3.969 4.170 0.001 0.000 0.243 69 I C 3.326 179.268 176.117 -0.291 0.000 1.085 69 I CA 0.993 62.203 61.300 -0.149 0.000 1.347 69 I CB -0.317 37.650 38.000 -0.055 0.000 1.044 69 I HN 0.237 nan 8.210 nan 0.000 0.408 70 A N 0.503 123.195 122.820 -0.214 0.000 1.884 70 A HA -0.285 4.036 4.320 0.001 0.000 0.219 70 A C 2.409 179.855 177.584 -0.229 0.000 1.197 70 A CA 2.858 54.749 52.037 -0.244 0.000 0.637 70 A CB -1.326 17.682 19.000 0.014 0.000 0.827 70 A HN 0.417 nan 8.150 nan 0.000 0.450 71 T N 0.046 114.513 114.554 -0.145 0.000 2.746 71 T HA -0.072 4.279 4.350 0.001 0.000 0.267 71 T C 1.770 176.436 174.700 -0.056 0.000 1.039 71 T CA 1.554 63.597 62.100 -0.095 0.000 1.142 71 T CB -0.303 68.500 68.868 -0.108 0.000 0.866 71 T HN 0.363 nan 8.240 nan 0.000 0.444 72 L N 0.387 121.544 121.223 -0.109 0.000 2.209 72 L HA 0.122 4.463 4.340 0.001 0.000 0.207 72 L C 2.988 179.804 176.870 -0.089 0.000 1.094 72 L CA 0.541 55.354 54.840 -0.044 0.000 0.790 72 L CB -0.633 41.371 42.059 -0.092 0.000 0.932 72 L HN 0.212 nan 8.230 nan 0.000 0.447 73 A N 1.307 123.954 122.820 -0.288 0.000 1.896 73 A HA -0.216 4.105 4.320 0.001 0.000 0.220 73 A C -0.110 177.315 177.584 -0.265 0.000 1.206 73 A CA 2.246 54.049 52.037 -0.391 0.000 0.647 73 A CB -2.001 16.427 19.000 -0.954 0.000 0.828 73 A HN 0.280 nan 8.150 nan 0.000 0.455 74 P HA -0.144 nan 4.420 nan 0.000 0.219 74 P C 0.949 178.017 177.300 -0.387 0.000 1.146 74 P CA 1.440 64.329 63.100 -0.352 0.000 0.808 74 P CB -0.210 31.197 31.700 -0.489 0.000 0.779 75 H N -1.819 117.191 119.070 -0.099 0.000 2.525 75 H HA 0.190 4.747 4.556 0.001 0.000 0.275 75 H C 1.923 177.200 175.328 -0.085 0.000 0.984 75 H CA 0.676 56.673 56.048 -0.085 0.000 1.264 75 H CB -0.290 29.416 29.762 -0.092 0.000 1.432 75 H HN 0.186 nan 8.280 nan 0.000 0.549 76 L N 0.471 121.689 121.223 -0.007 0.000 2.179 76 L HA -0.027 4.314 4.340 0.001 0.000 0.208 76 L C 0.375 177.223 176.870 -0.036 0.000 1.096 76 L CA 0.016 54.836 54.840 -0.034 0.000 0.779 76 L CB -0.133 41.892 42.059 -0.056 0.000 0.922 76 L HN 0.030 nan 8.230 nan 0.000 0.443 77 L N 1.261 122.453 121.223 -0.051 0.000 2.584 77 L HA 0.117 4.458 4.340 0.001 0.000 0.272 77 L C 1.259 178.112 176.870 -0.027 0.000 1.195 77 L CA 1.304 56.120 54.840 -0.039 0.000 0.920 77 L CB -0.339 41.691 42.059 -0.048 0.000 1.173 77 L HN 0.384 nan 8.230 nan 0.000 0.489 78 G N 3.090 111.880 108.800 -0.018 0.000 2.175 78 G HA2 -0.228 3.733 3.960 0.001 0.000 0.244 78 G HA3 -0.228 3.733 3.960 0.001 0.000 0.244 78 G C 0.314 175.216 174.900 0.003 0.000 0.982 78 G CA -0.033 45.062 45.100 -0.009 0.000 0.641 78 G HN 0.450 nan 8.290 nan 0.000 0.527 79 L N 1.128 122.355 121.223 0.006 0.000 2.417 79 L HA 0.358 4.699 4.340 0.001 0.000 0.268 79 L C 0.419 177.296 176.870 0.012 0.000 1.158 79 L CA -0.718 54.138 54.840 0.027 0.000 0.819 79 L CB 0.656 42.726 42.059 0.019 0.000 1.112 79 L HN 0.069 nan 8.230 nan 0.000 0.458 80 D N 4.510 124.923 120.400 0.022 0.000 2.346 80 D HA 0.060 4.700 4.640 0.001 0.000 0.260 80 D C -1.517 174.774 176.300 -0.015 0.000 1.252 80 D CA -1.550 52.448 54.000 -0.004 0.000 0.895 80 D CB 1.328 42.119 40.800 -0.016 0.000 1.097 80 D HN 0.250 nan 8.370 nan 0.000 0.489 81 P HA 0.017 nan 4.420 nan 0.000 0.241 81 P C 0.833 178.070 177.300 -0.106 0.000 1.191 81 P CA 0.337 63.400 63.100 -0.062 0.000 0.771 81 P CB 0.426 32.093 31.700 -0.055 0.000 0.929 82 R N -0.372 120.068 120.500 -0.100 0.000 2.193 82 R HA 0.128 4.469 4.340 0.001 0.000 0.213 82 R C 0.889 177.096 176.300 -0.154 0.000 1.055 82 R CA 0.461 56.477 56.100 -0.139 0.000 0.995 82 R CB -0.295 29.941 30.300 -0.106 0.000 0.893 82 R HN 0.022 nan 8.270 nan 0.000 0.459 83 S N 1.502 117.143 115.700 -0.099 0.000 3.869 83 S HA 0.184 4.655 4.470 0.001 0.000 0.241 83 S C 1.085 175.645 174.600 -0.067 0.000 1.363 83 S CA -0.241 57.918 58.200 -0.069 0.000 0.894 83 S CB 0.190 63.382 63.200 -0.013 0.000 1.519 83 S HN 0.208 nan 8.310 nan 0.000 0.470 84 L N 0.954 122.078 121.223 -0.164 0.000 2.109 84 L HA -0.092 4.248 4.340 0.001 0.000 0.207 84 L C 1.644 178.455 176.870 -0.099 0.000 1.086 84 L CA 1.068 55.783 54.840 -0.208 0.000 0.760 84 L CB -0.281 41.511 42.059 -0.446 0.000 0.910 84 L HN 0.342 nan 8.230 nan 0.000 0.437 85 D N -1.377 118.987 120.400 -0.060 0.000 2.117 85 D HA -0.206 4.434 4.640 0.001 0.000 0.198 85 D C 2.069 178.377 176.300 0.014 0.000 0.982 85 D CA 0.937 54.928 54.000 -0.016 0.000 0.828 85 D CB -0.164 40.628 40.800 -0.012 0.000 0.967 85 D HN 0.293 nan 8.370 nan 0.000 0.464 86 H N 0.520 119.553 119.070 -0.062 0.000 2.352 86 H HA -0.097 4.460 4.556 0.001 0.000 0.299 86 H C 1.876 177.176 175.328 -0.046 0.000 1.097 86 H CA 1.151 57.169 56.048 -0.051 0.000 1.311 86 H CB 0.009 29.739 29.762 -0.053 0.000 1.377 86 H HN -0.015 nan 8.280 nan 0.000 0.504 87 V N 1.836 121.671 119.914 -0.133 0.000 2.332 87 V HA -0.281 3.840 4.120 0.001 0.000 0.248 87 V C 2.303 178.314 176.094 -0.138 0.000 1.055 87 V CA 1.915 64.116 62.300 -0.166 0.000 1.038 87 V CB -0.527 31.245 31.823 -0.086 0.000 0.651 87 V HN 0.553 nan 8.190 nan 0.000 0.450 88 N N -0.075 118.576 118.700 -0.082 0.000 2.188 88 N HA -0.139 4.602 4.740 0.001 0.000 0.184 88 N C 2.038 177.507 175.510 -0.068 0.000 1.018 88 N CA 1.186 54.207 53.050 -0.048 0.000 0.858 88 N CB -0.171 38.315 38.487 -0.003 0.000 0.989 88 N HN 0.502 nan 8.380 nan 0.000 0.426 89 R N 0.670 121.114 120.500 -0.093 0.000 2.081 89 R HA -0.040 4.301 4.340 0.001 0.000 0.235 89 R C 2.290 178.509 176.300 -0.135 0.000 1.131 89 R CA 0.833 56.878 56.100 -0.092 0.000 0.960 89 R CB -0.367 29.897 30.300 -0.061 0.000 0.856 89 R HN 0.041 nan 8.270 nan 0.000 0.436 90 V N 1.395 121.172 119.914 -0.228 0.000 2.295 90 V HA -0.279 3.842 4.120 0.001 0.000 0.246 90 V C 2.406 178.401 176.094 -0.165 0.000 1.049 90 V CA 1.784 63.952 62.300 -0.220 0.000 1.024 90 V CB -0.396 31.257 31.823 -0.283 0.000 0.648 90 V HN 0.330 nan 8.190 nan 0.000 0.447 91 M N -0.346 119.174 119.600 -0.133 0.000 2.108 91 M HA -0.223 4.258 4.480 0.001 0.000 0.261 91 M C 1.950 178.199 176.300 -0.084 0.000 1.066 91 M CA 1.939 57.179 55.300 -0.100 0.000 1.107 91 M CB -0.680 31.880 32.600 -0.066 0.000 1.356 91 M HN 0.339 nan 8.290 nan 0.000 0.406 92 D N 0.403 120.764 120.400 -0.066 0.000 2.178 92 D HA -0.044 4.597 4.640 0.001 0.000 0.202 92 D C 2.050 178.317 176.300 -0.054 0.000 0.974 92 D CA 1.001 54.977 54.000 -0.039 0.000 0.841 92 D CB -0.201 40.587 40.800 -0.020 0.000 0.953 92 D HN 0.322 nan 8.370 nan 0.000 0.478 93 L N 0.335 121.507 121.223 -0.084 0.000 2.093 93 L HA -0.158 4.183 4.340 0.001 0.000 0.208 93 L C 2.205 178.995 176.870 -0.135 0.000 1.085 93 L CA 1.010 55.792 54.840 -0.097 0.000 0.755 93 L CB -0.058 41.936 42.059 -0.110 0.000 0.904 93 L HN -0.015 nan 8.230 nan 0.000 0.435 94 Q N -1.172 118.515 119.800 -0.189 0.000 2.391 94 Q HA 0.192 4.533 4.340 0.001 0.000 0.211 94 Q C -0.122 175.767 176.000 -0.185 0.000 0.908 94 Q CA 0.380 56.015 55.803 -0.281 0.000 0.920 94 Q CB 1.038 29.457 28.738 -0.531 0.000 1.056 94 Q HN 0.200 nan 8.270 nan 0.000 0.523 95 L N 1.466 122.615 121.223 -0.124 0.000 2.563 95 L HA 0.420 4.761 4.340 0.001 0.000 0.259 95 L C -2.859 174.012 176.870 0.002 0.000 1.034 95 L CA -1.737 53.052 54.840 -0.085 0.000 0.899 95 L CB 1.802 43.768 42.059 -0.155 0.000 1.159 95 L HN -0.212 nan 8.230 nan 0.000 0.456 96 P HA 0.425 nan 4.420 nan 0.000 0.269 96 P C 0.572 177.965 177.300 0.155 0.000 1.215 96 P CA 0.982 64.124 63.100 0.070 0.000 0.780 96 P CB 0.754 32.483 31.700 0.049 0.000 0.898 97 G N 1.866 110.724 108.800 0.097 0.000 2.566 97 G HA2 -0.315 3.646 3.960 0.001 0.000 0.280 97 G HA3 -0.315 3.646 3.960 0.001 0.000 0.280 97 G C -0.556 174.421 174.900 0.128 0.000 1.225 97 G CA 0.455 45.594 45.100 0.066 0.000 0.966 97 G HN 0.746 nan 8.290 nan 0.000 0.560 98 H N -1.040 118.067 119.070 0.060 0.000 2.677 98 H HA -0.123 4.434 4.556 0.001 0.000 0.321 98 H C 1.760 177.036 175.328 -0.088 0.000 1.171 98 H CA 1.075 57.100 56.048 -0.038 0.000 1.139 98 H CB -1.547 28.105 29.762 -0.184 0.000 1.515 98 H HN 0.649 nan 8.280 nan 0.000 0.423 99 S N -0.846 114.956 115.700 0.170 0.000 2.423 99 S HA -0.186 4.285 4.470 0.001 0.000 0.231 99 S C 1.874 176.585 174.600 0.184 0.000 1.014 99 S CA 1.220 59.519 58.200 0.164 0.000 0.965 99 S CB -0.193 63.128 63.200 0.202 0.000 0.785 99 S HN 0.793 nan 8.310 nan 0.000 0.495 100 Y N 0.289 120.679 120.300 0.151 0.000 2.352 100 Y HA 0.032 4.583 4.550 0.001 0.000 0.292 100 Y C 1.929 177.920 175.900 0.151 0.000 1.136 100 Y CA 0.403 58.599 58.100 0.160 0.000 1.227 100 Y CB -0.801 37.764 38.460 0.174 0.000 0.991 100 Y HN -0.001 nan 8.280 nan 0.000 0.545 101 V N 1.211 120.876 119.914 -0.416 0.000 2.358 101 V HA -0.236 3.885 4.120 0.001 0.000 0.246 101 V C 2.201 178.253 176.094 -0.070 0.000 1.047 101 V CA 2.260 64.395 62.300 -0.275 0.000 1.035 101 V CB -0.545 31.051 31.823 -0.379 0.000 0.658 101 V HN 0.371 nan 8.190 nan 0.000 0.452 102 K N -0.114 120.267 120.400 -0.031 0.000 2.228 102 K HA -0.063 4.257 4.320 0.001 0.000 0.202 102 K C 2.443 179.083 176.600 0.066 0.000 1.051 102 K CA 1.146 57.443 56.287 0.016 0.000 0.960 102 K CB -0.315 32.201 32.500 0.026 0.000 0.743 102 K HN 0.345 nan 8.250 nan 0.000 0.458 103 S N 1.466 117.225 115.700 0.098 0.000 2.368 103 S HA -0.107 4.364 4.470 0.001 0.000 0.226 103 S C -0.796 173.878 174.600 0.124 0.000 1.044 103 S CA 1.619 59.895 58.200 0.126 0.000 1.062 103 S CB -0.791 62.502 63.200 0.156 0.000 0.931 103 S HN 0.101 nan 8.310 nan 0.000 0.440 104 P HA -0.046 nan 4.420 nan 0.000 0.218 104 P C 1.450 178.808 177.300 0.097 0.000 1.149 104 P CA 1.104 64.275 63.100 0.118 0.000 0.817 104 P CB -0.249 31.532 31.700 0.135 0.000 0.785 105 I N 0.517 121.131 120.570 0.074 0.000 2.142 105 I HA -0.234 3.936 4.170 0.001 0.000 0.240 105 I C 2.434 178.595 176.117 0.074 0.000 1.078 105 I CA 2.021 63.350 61.300 0.049 0.000 1.343 105 I CB -1.027 36.982 38.000 0.015 0.000 1.046 105 I HN -0.046 nan 8.210 nan 0.000 0.405 106 D N 0.786 121.250 120.400 0.107 0.000 2.117 106 D HA -0.265 4.376 4.640 0.001 0.000 0.197 106 D C 2.307 178.787 176.300 0.300 0.000 0.987 106 D CA 1.365 55.474 54.000 0.180 0.000 0.829 106 D CB -0.037 40.887 40.800 0.206 0.000 0.961 106 D HN 0.186 nan 8.370 nan 0.000 0.460 107 M N -0.127 119.609 119.600 0.227 0.000 2.082 107 M HA -0.233 4.248 4.480 0.001 0.000 0.258 107 M C 2.014 178.436 176.300 0.203 0.000 1.069 107 M CA 2.105 57.528 55.300 0.205 0.000 1.102 107 M CB -0.086 32.592 32.600 0.130 0.000 1.336 107 M HN 0.169 nan 8.290 nan 0.000 0.404 108 A N -1.140 121.766 122.820 0.142 0.000 1.968 108 A HA -0.140 4.181 4.320 0.001 0.000 0.217 108 A C 2.104 179.734 177.584 0.077 0.000 1.169 108 A CA 1.485 53.581 52.037 0.098 0.000 0.638 108 A CB -1.157 17.866 19.000 0.038 0.000 0.812 108 A HN 0.715 nan 8.150 nan 0.000 0.446 109 C N -2.882 116.460 119.300 0.071 0.000 2.457 109 C HA -0.080 4.381 4.460 0.001 0.000 0.278 109 C C 2.301 177.276 174.990 -0.026 0.000 1.309 109 C CA 0.153 59.168 59.018 -0.003 0.000 1.735 109 C CB -1.705 26.003 27.740 -0.053 0.000 1.992 109 C HN 0.835 nan 8.230 nan 0.000 0.493 110 W N 1.319 122.610 121.300 -0.015 0.000 2.358 110 W HA -0.136 4.525 4.660 0.001 0.000 0.303 110 W C 2.317 178.809 176.519 -0.044 0.000 1.208 110 W CA 1.760 59.086 57.345 -0.031 0.000 1.274 110 W CB -0.517 28.927 29.460 -0.028 0.000 1.138 110 W HN 0.300 nan 8.180 nan 0.000 0.515 111 D N 0.303 120.828 120.400 0.210 0.000 2.106 111 D HA -0.210 4.431 4.640 0.001 0.000 0.191 111 D C 1.908 178.248 176.300 0.067 0.000 0.997 111 D CA 1.776 55.847 54.000 0.119 0.000 0.834 111 D CB -0.457 40.421 40.800 0.131 0.000 0.956 111 D HN 0.112 nan 8.370 nan 0.000 0.448 112 I N 0.004 120.598 120.570 0.041 0.000 2.163 112 I HA -0.255 3.916 4.170 0.001 0.000 0.243 112 I C 2.470 178.575 176.117 -0.021 0.000 1.085 112 I CA 0.616 61.918 61.300 0.003 0.000 1.347 112 I CB -0.274 37.715 38.000 -0.019 0.000 1.044 112 I HN 0.102 nan 8.210 nan 0.000 0.408 113 L N 1.083 122.275 121.223 -0.052 0.000 2.042 113 L HA -0.121 4.220 4.340 0.001 0.000 0.210 113 L C 2.326 179.165 176.870 -0.050 0.000 1.076 113 L CA 2.301 57.086 54.840 -0.092 0.000 0.749 113 L CB -1.215 40.718 42.059 -0.209 0.000 0.893 113 L HN 0.216 nan 8.230 nan 0.000 0.432 114 G N -1.521 107.275 108.800 -0.007 0.000 2.421 114 G HA2 -0.277 3.683 3.960 0.001 0.000 0.216 114 G HA3 -0.277 3.683 3.960 0.001 0.000 0.216 114 G C 1.450 176.332 174.900 -0.029 0.000 1.171 114 G CA 0.788 45.877 45.100 -0.017 0.000 0.775 114 G HN 0.555 nan 8.290 nan 0.000 0.543 115 Q N -0.305 119.488 119.800 -0.011 0.000 2.084 115 Q HA -0.049 4.292 4.340 0.001 0.000 0.202 115 Q C 2.817 178.808 176.000 -0.015 0.000 0.978 115 Q CA 1.264 57.063 55.803 -0.006 0.000 0.844 115 Q CB -0.240 28.506 28.738 0.013 0.000 0.898 115 Q HN 0.374 nan 8.270 nan 0.000 0.426 116 V N 0.664 120.565 119.914 -0.023 0.000 2.358 116 V HA -0.233 3.887 4.120 0.001 0.000 0.246 116 V C 2.087 178.161 176.094 -0.034 0.000 1.047 116 V CA 1.825 64.108 62.300 -0.029 0.000 1.035 116 V CB -0.648 31.152 31.823 -0.038 0.000 0.658 116 V HN 0.397 nan 8.190 nan 0.000 0.452 117 A N -0.774 122.022 122.820 -0.041 0.000 2.067 117 A HA 0.324 4.645 4.320 0.001 0.000 0.217 117 A C 1.962 179.519 177.584 -0.043 0.000 1.156 117 A CA 1.119 53.129 52.037 -0.045 0.000 0.683 117 A CB -0.477 18.491 19.000 -0.053 0.000 0.808 117 A HN 1.289 nan 8.150 nan 0.000 0.455 118 G N -1.267 107.508 108.800 -0.041 0.000 2.182 118 G HA2 -0.187 3.774 3.960 0.001 0.000 0.248 118 G HA3 -0.187 3.774 3.960 0.001 0.000 0.248 118 G C -0.173 174.688 174.900 -0.066 0.000 1.042 118 G CA 0.485 45.560 45.100 -0.041 0.000 0.775 118 G HN 0.543 nan 8.290 nan 0.000 0.501 119 L N 0.439 121.607 121.223 -0.093 0.000 2.408 119 L HA 0.547 4.887 4.340 0.001 0.000 0.268 119 L C -2.047 174.690 176.870 -0.221 0.000 0.986 119 L CA -2.591 52.151 54.840 -0.164 0.000 0.820 119 L CB 2.767 44.732 42.059 -0.157 0.000 1.303 119 L HN -0.102 nan 8.230 nan 0.000 0.411 120 P HA 0.119 nan 4.420 nan 0.000 0.272 120 P C 0.643 177.621 177.300 -0.537 0.000 1.230 120 P CA -0.349 62.480 63.100 -0.453 0.000 0.788 120 P CB 1.237 32.544 31.700 -0.655 0.000 0.949 121 L N 0.687 121.590 121.223 -0.533 0.000 2.093 121 L HA -0.103 4.238 4.340 0.001 0.000 0.208 121 L C 2.627 179.408 176.870 -0.149 0.000 1.085 121 L CA 1.378 55.986 54.840 -0.386 0.000 0.755 121 L CB -0.890 40.785 42.059 -0.640 0.000 0.904 121 L HN 0.585 nan 8.230 nan 0.000 0.435 122 W N 0.485 121.879 121.300 0.157 0.000 2.392 122 W HA -0.218 4.443 4.660 0.001 0.000 0.279 122 W C 1.929 178.499 176.519 0.085 0.000 1.225 122 W CA 0.802 58.244 57.345 0.161 0.000 1.233 122 W CB -0.738 28.844 29.460 0.204 0.000 1.122 122 W HN 0.314 nan 8.180 nan 0.000 0.561 123 Q N 1.130 120.730 119.800 -0.334 0.000 2.123 123 Q HA -0.046 4.295 4.340 0.001 0.000 0.196 123 Q C 2.537 178.501 176.000 -0.060 0.000 0.958 123 Q CA 1.126 56.783 55.803 -0.242 0.000 0.841 123 Q CB -0.308 28.047 28.738 -0.639 0.000 0.915 123 Q HN 0.317 nan 8.270 nan 0.000 0.455 124 L N 0.382 121.568 121.223 -0.061 0.000 2.191 124 L HA -0.151 4.190 4.340 0.001 0.000 0.212 124 L C 1.627 178.600 176.870 0.172 0.000 1.103 124 L CA 0.742 55.640 54.840 0.096 0.000 0.769 124 L CB -0.098 42.094 42.059 0.223 0.000 0.908 124 L HN 0.300 nan 8.230 nan 0.000 0.438 125 L N -0.750 120.535 121.223 0.103 0.000 2.612 125 L HA 0.181 4.522 4.340 0.001 0.000 0.230 125 L C 1.431 178.368 176.870 0.110 0.000 1.140 125 L CA 0.560 55.449 54.840 0.081 0.000 0.896 125 L CB -0.175 41.875 42.059 -0.016 0.000 1.065 125 L HN 0.394 nan 8.230 nan 0.000 0.447 126 G N -0.698 108.177 108.800 0.125 0.000 2.176 126 G HA2 -0.214 3.747 3.960 0.001 0.000 0.232 126 G HA3 -0.214 3.747 3.960 0.001 0.000 0.232 126 G C 0.595 175.589 174.900 0.157 0.000 0.986 126 G CA -0.321 44.850 45.100 0.119 0.000 0.643 126 G HN 0.510 nan 8.290 nan 0.000 0.522 127 G N 0.198 109.142 108.800 0.240 0.000 2.527 127 G HA2 0.528 4.489 3.960 0.001 0.000 0.248 127 G HA3 0.528 4.489 3.960 0.001 0.000 0.248 127 G C 0.785 175.890 174.900 0.341 0.000 1.231 127 G CA 0.656 45.914 45.100 0.264 0.000 0.838 127 G HN 0.801 nan 8.290 nan 0.000 0.570 128 E N 0.343 120.654 120.200 0.186 0.000 2.230 128 E HA 0.378 4.729 4.350 0.001 0.000 0.192 128 E C 0.932 177.615 176.600 0.139 0.000 0.987 128 E CA 0.734 57.238 56.400 0.173 0.000 0.841 128 E CB 0.260 30.006 29.700 0.076 0.000 0.783 128 E HN 0.553 nan 8.360 nan 0.000 0.481 129 A N 0.504 123.215 122.820 -0.181 0.000 2.572 129 A HA 0.687 5.008 4.320 0.001 0.000 0.295 129 A C -0.809 175.968 177.584 -1.345 0.000 1.072 129 A CA -0.468 51.201 52.037 -0.613 0.000 0.691 129 A CB 1.489 20.307 19.000 -0.304 0.000 1.291 129 A HN 0.268 nan 8.150 nan 0.000 0.404 130 A N 1.727 123.525 122.820 -1.704 0.000 3.017 130 A HA 0.473 4.794 4.320 0.001 0.000 0.283 130 A C 0.537 177.756 177.584 -0.609 0.000 1.892 130 A CA 0.474 51.740 52.037 -1.285 0.000 1.469 130 A CB -1.487 17.069 19.000 -0.740 0.000 0.999 130 A HN 0.774 nan 8.150 nan 0.000 0.605 131 T N 5.376 119.632 114.554 -0.496 0.000 2.834 131 T HA 0.326 4.676 4.350 0.001 0.000 0.298 131 T C -2.307 172.261 174.700 -0.220 0.000 0.966 131 T CA -0.524 61.409 62.100 -0.280 0.000 1.141 131 T CB 0.518 69.265 68.868 -0.202 0.000 0.905 131 T HN 0.475 nan 8.240 nan 0.000 0.535 132 P HA 0.154 nan 4.420 nan 0.000 0.267 132 P C -0.769 176.469 177.300 -0.104 0.000 1.209 132 P CA -0.178 62.847 63.100 -0.126 0.000 0.763 132 P CB 0.426 32.064 31.700 -0.104 0.000 0.816 133 V N 6.951 126.811 119.914 -0.091 0.000 2.398 133 V HA 0.272 4.393 4.120 0.001 0.000 0.286 133 V C -2.042 174.022 176.094 -0.051 0.000 1.026 133 V CA -2.274 59.986 62.300 -0.068 0.000 0.868 133 V CB 1.374 33.162 31.823 -0.059 0.000 0.982 133 V HN 0.447 nan 8.190 nan 0.000 0.443 134 P HA 0.114 nan 4.420 nan 0.000 0.264 134 P C -0.748 176.556 177.300 0.006 0.000 1.183 134 P CA 0.221 63.301 63.100 -0.032 0.000 0.763 134 P CB 0.302 31.979 31.700 -0.040 0.000 0.807 135 I N 2.487 123.081 120.570 0.039 0.000 2.441 135 I HA 0.280 4.451 4.170 0.001 0.000 0.295 135 I C 0.694 176.939 176.117 0.212 0.000 0.994 135 I CA -1.032 60.341 61.300 0.121 0.000 1.144 135 I CB 1.224 39.304 38.000 0.134 0.000 1.314 135 I HN 0.414 nan 8.210 nan 0.000 0.445 136 N N 3.008 121.794 118.700 0.143 0.000 2.492 136 N HA 0.456 5.196 4.740 0.001 0.000 0.289 136 N C -0.336 175.057 175.510 -0.195 0.000 1.133 136 N CA -0.624 52.432 53.050 0.010 0.000 0.961 136 N CB 1.310 39.776 38.487 -0.035 0.000 1.186 136 N HN 0.581 nan 8.380 nan 0.000 0.493 137 S N 0.631 116.021 115.700 -0.516 0.000 2.632 137 S HA 0.458 4.929 4.470 0.001 0.000 0.271 137 S C -0.438 174.049 174.600 -0.188 0.000 1.260 137 S CA -0.964 56.828 58.200 -0.680 0.000 1.010 137 S CB 0.742 63.536 63.200 -0.676 0.000 0.965 137 S HN 0.608 nan 8.310 nan 0.000 0.534 138 S N 1.833 117.494 115.700 -0.065 0.000 2.438 138 S HA 0.482 4.953 4.470 0.001 0.000 0.316 138 S C -0.517 174.079 174.600 -0.008 0.000 1.084 138 S CA -0.839 57.355 58.200 -0.009 0.000 1.107 138 S CB 0.263 63.542 63.200 0.132 0.000 0.981 138 S HN 0.594 nan 8.310 nan 0.000 0.466 139 I N 2.714 123.263 120.570 -0.034 0.000 2.330 139 I HA 0.302 4.473 4.170 0.001 0.000 0.286 139 I C 0.700 176.811 176.117 -0.009 0.000 1.025 139 I CA -0.294 60.996 61.300 -0.017 0.000 1.197 139 I CB 0.559 38.541 38.000 -0.029 0.000 1.358 139 I HN 0.470 nan 8.210 nan 0.000 0.467 140 S N 3.890 119.598 115.700 0.014 0.000 2.593 140 S HA 0.138 4.609 4.470 0.001 0.000 0.269 140 S C 0.621 175.233 174.600 0.020 0.000 1.334 140 S CA -0.024 58.188 58.200 0.020 0.000 1.015 140 S CB 0.814 64.041 63.200 0.045 0.000 0.912 140 S HN 0.708 nan 8.310 nan 0.000 0.541 141 T N 1.209 115.775 114.554 0.020 0.000 2.919 141 T HA 0.551 4.902 4.350 0.001 0.000 0.302 141 T C 0.455 175.172 174.700 0.029 0.000 1.031 141 T CA 0.415 62.531 62.100 0.025 0.000 1.127 141 T CB -0.016 68.864 68.868 0.020 0.000 0.952 141 T HN 0.779 nan 8.240 nan 0.000 0.540 142 G N 2.434 111.254 108.800 0.032 0.000 2.604 142 G HA2 0.511 4.471 3.960 0.001 0.000 0.242 142 G HA3 0.511 4.471 3.960 0.001 0.000 0.242 142 G C -0.181 174.738 174.900 0.031 0.000 1.208 142 G CA -0.033 45.084 45.100 0.029 0.000 0.912 142 G HN 0.937 nan 8.290 nan 0.000 0.502 143 T N -0.031 114.539 114.554 0.026 0.000 2.868 143 T HA 0.477 4.827 4.350 0.001 0.000 0.292 143 T C -1.337 173.380 174.700 0.029 0.000 1.028 143 T CA -0.647 61.468 62.100 0.025 0.000 1.059 143 T CB 1.689 70.568 68.868 0.019 0.000 0.991 143 T HN 0.134 nan 8.240 nan 0.000 0.531 144 P HA -0.240 nan 4.420 nan 0.000 0.221 144 P C 0.922 178.237 177.300 0.025 0.000 1.160 144 P CA 1.995 65.115 63.100 0.034 0.000 0.933 144 P CB -0.171 31.546 31.700 0.027 0.000 0.793 145 D N -2.023 118.388 120.400 0.017 0.000 2.347 145 D HA -0.079 4.562 4.640 0.001 0.000 0.213 145 D C 1.877 178.181 176.300 0.007 0.000 0.985 145 D CA 0.474 54.480 54.000 0.010 0.000 0.879 145 D CB -0.918 39.886 40.800 0.007 0.000 0.919 145 D HN 0.246 nan 8.370 nan 0.000 0.526 146 Q N -0.066 119.741 119.800 0.012 0.000 2.020 146 Q HA -0.053 4.288 4.340 0.001 0.000 0.202 146 Q C 2.090 178.095 176.000 0.008 0.000 0.982 146 Q CA 1.430 57.239 55.803 0.011 0.000 0.838 146 Q CB -0.121 28.626 28.738 0.016 0.000 0.899 146 Q HN 0.343 nan 8.270 nan 0.000 0.423 147 M N -0.410 119.198 119.600 0.013 0.000 2.229 147 M HA -0.140 4.340 4.480 0.001 0.000 0.264 147 M C 1.821 178.113 176.300 -0.013 0.000 1.063 147 M CA 0.766 56.071 55.300 0.008 0.000 1.114 147 M CB -0.065 32.554 32.600 0.032 0.000 1.387 147 M HN 0.181 nan 8.290 nan 0.000 0.420 148 L N 0.345 121.563 121.223 -0.008 0.000 2.217 148 L HA 0.021 4.362 4.340 0.001 0.000 0.211 148 L C 2.456 179.305 176.870 -0.035 0.000 1.107 148 L CA 1.528 56.353 54.840 -0.026 0.000 0.783 148 L CB -1.241 40.812 42.059 -0.011 0.000 0.919 148 L HN 0.253 nan 8.230 nan 0.000 0.442 149 G N -0.869 107.919 108.800 -0.019 0.000 2.418 149 G HA2 -0.230 3.731 3.960 0.001 0.000 0.217 149 G HA3 -0.230 3.731 3.960 0.001 0.000 0.217 149 G C 1.603 176.492 174.900 -0.019 0.000 1.158 149 G CA 0.839 45.929 45.100 -0.015 0.000 0.771 149 G HN 0.388 nan 8.290 nan 0.000 0.545 150 L N -0.115 121.096 121.223 -0.020 0.000 2.217 150 L HA 0.133 4.473 4.340 0.001 0.000 0.211 150 L C 2.680 179.524 176.870 -0.044 0.000 1.107 150 L CA 0.246 55.076 54.840 -0.017 0.000 0.783 150 L CB -0.167 41.886 42.059 -0.010 0.000 0.919 150 L HN 0.181 nan 8.230 nan 0.000 0.442 151 I N -0.377 120.132 120.570 -0.102 0.000 2.286 151 I HA -0.217 3.953 4.170 0.001 0.000 0.245 151 I C 2.735 178.757 176.117 -0.160 0.000 1.104 151 I CA 1.056 62.214 61.300 -0.236 0.000 1.397 151 I CB -0.300 37.499 38.000 -0.336 0.000 1.072 151 I HN 0.167 nan 8.210 nan 0.000 0.417 152 A N 0.241 123.005 122.820 -0.093 0.000 1.902 152 A HA -0.289 4.032 4.320 0.001 0.000 0.217 152 A C 2.262 179.853 177.584 0.013 0.000 1.181 152 A CA 2.101 54.111 52.037 -0.045 0.000 0.623 152 A CB -0.672 18.305 19.000 -0.039 0.000 0.818 152 A HN 0.510 nan 8.150 nan 0.000 0.443 153 E N -0.133 120.079 120.200 0.021 0.000 2.077 153 E HA -0.115 4.235 4.350 0.001 0.000 0.193 153 E C 2.040 178.712 176.600 0.120 0.000 0.989 153 E CA 1.205 57.638 56.400 0.054 0.000 0.800 153 E CB -0.286 29.438 29.700 0.040 0.000 0.746 153 E HN 0.530 nan 8.360 nan 0.000 0.452 154 A N 0.888 123.802 122.820 0.157 0.000 1.930 154 A HA 0.011 4.332 4.320 0.001 0.000 0.217 154 A C 2.367 180.220 177.584 0.448 0.000 1.175 154 A CA 1.491 53.743 52.037 0.360 0.000 0.627 154 A CB -0.666 18.519 19.000 0.309 0.000 0.815 154 A HN 0.417 nan 8.150 nan 0.000 0.443 155 A N 0.046 123.066 122.820 0.333 0.000 1.902 155 A HA 0.170 4.490 4.320 0.001 0.000 0.217 155 A C 2.486 180.195 177.584 0.208 0.000 1.181 155 A CA 1.950 54.203 52.037 0.359 0.000 0.623 155 A CB -0.991 18.132 19.000 0.205 0.000 0.818 155 A HN 1.035 nan 8.150 nan 0.000 0.443 156 A N -0.746 122.151 122.820 0.129 0.000 1.940 156 A HA -0.247 4.074 4.320 0.001 0.000 0.219 156 A C 2.084 179.699 177.584 0.052 0.000 1.176 156 A CA 1.800 53.882 52.037 0.075 0.000 0.631 156 A CB -0.562 18.470 19.000 0.052 0.000 0.814 156 A HN 0.644 nan 8.150 nan 0.000 0.446 157 Q N -2.155 117.685 119.800 0.067 0.000 2.291 157 Q HA 0.152 4.492 4.340 0.001 0.000 0.205 157 Q C 1.251 177.164 176.000 -0.146 0.000 0.970 157 Q CA 0.862 56.650 55.803 -0.025 0.000 0.876 157 Q CB -0.046 28.701 28.738 0.015 0.000 0.935 157 Q HN 0.950 nan 8.270 nan 0.000 0.455 158 G N -1.095 107.658 108.800 -0.078 0.000 2.168 158 G HA2 -0.234 3.727 3.960 0.001 0.000 0.197 158 G HA3 -0.234 3.727 3.960 0.001 0.000 0.197 158 G C -0.521 174.274 174.900 -0.175 0.000 0.997 158 G CA -0.620 44.405 45.100 -0.125 0.000 0.658 158 G HN 0.267 nan 8.290 nan 0.000 0.513 159 Y N 0.553 120.873 120.300 0.034 0.000 2.377 159 Y HA 0.496 5.047 4.550 0.002 0.000 0.330 159 Y C 1.861 177.666 175.900 -0.158 0.000 1.108 159 Y CA 0.009 58.082 58.100 -0.045 0.000 1.308 159 Y CB 0.730 39.202 38.460 0.020 0.000 1.216 159 Y HN 0.053 nan 8.280 nan 0.000 0.518 160 R N 0.604 120.980 120.500 -0.206 0.000 2.373 160 R HA 0.162 4.503 4.340 0.001 0.000 0.221 160 R C -0.328 175.683 176.300 -0.481 0.000 0.893 160 R CA 0.256 56.038 56.100 -0.530 0.000 1.049 160 R CB 0.727 30.766 30.300 -0.436 0.000 1.119 160 R HN 0.535 nan 8.270 nan 0.000 0.535 161 T N 1.052 115.339 114.554 -0.444 0.000 2.885 161 T HA 0.415 4.766 4.350 0.001 0.000 0.285 161 T C -0.807 173.512 174.700 -0.636 0.000 1.019 161 T CA -0.576 61.291 62.100 -0.387 0.000 1.010 161 T CB 1.889 70.682 68.868 -0.126 0.000 1.022 161 T HN 0.084 nan 8.240 nan 0.000 0.466 162 H N 0.492 119.546 119.070 -0.027 0.000 2.679 162 H HA 0.494 5.051 4.556 0.001 0.000 0.360 162 H C -0.747 174.485 175.328 -0.159 0.000 1.105 162 H CA -0.642 55.350 56.048 -0.093 0.000 1.196 162 H CB 1.982 31.707 29.762 -0.061 0.000 1.636 162 H HN 0.548 nan 8.280 nan 0.000 0.531 163 S N 2.105 117.752 115.700 -0.089 0.000 2.474 163 S HA 0.548 5.019 4.470 0.001 0.000 0.320 163 S C -0.222 174.290 174.600 -0.146 0.000 1.067 163 S CA -0.648 57.444 58.200 -0.180 0.000 1.127 163 S CB -0.388 62.646 63.200 -0.276 0.000 0.971 163 S HN 0.735 nan 8.310 nan 0.000 0.472 164 A N 6.110 128.842 122.820 -0.146 0.000 2.269 164 A HA 0.528 4.849 4.320 0.001 0.000 0.302 164 A C 0.016 177.591 177.584 -0.016 0.000 1.266 164 A CA -0.725 51.274 52.037 -0.063 0.000 0.894 164 A CB 0.341 19.318 19.000 -0.039 0.000 1.147 164 A HN 0.713 nan 8.150 nan 0.000 0.537 165 K N 3.378 123.755 120.400 -0.038 0.000 2.349 165 K HA 0.378 4.699 4.320 0.001 0.000 0.289 165 K C -0.084 176.507 176.600 -0.014 0.000 1.064 165 K CA 0.284 56.535 56.287 -0.060 0.000 0.947 165 K CB 0.229 32.679 32.500 -0.084 0.000 1.007 165 K HN 0.732 nan 8.250 nan 0.000 0.478 166 I N -2.071 118.472 120.570 -0.045 0.000 3.445 166 I HA 0.859 5.029 4.170 0.001 0.000 0.303 166 I C 0.231 176.254 176.117 -0.157 0.000 1.129 166 I CA -1.005 60.269 61.300 -0.043 0.000 0.989 166 I CB 2.241 40.247 38.000 0.011 0.000 1.314 166 I HN 0.589 nan 8.210 nan 0.000 0.488 167 G N -0.831 107.917 108.800 -0.087 0.000 2.406 167 G HA2 0.530 4.491 3.960 0.001 0.000 0.680 167 G HA3 0.530 4.491 3.960 0.001 0.000 0.680 167 G C -0.601 174.360 174.900 0.101 0.000 1.338 167 G CA -0.113 44.915 45.100 -0.119 0.000 0.941 167 G HN 2.204 nan 8.290 nan 0.000 0.633 168 G N -1.647 107.279 108.800 0.210 0.000 2.368 168 G HA2 0.536 4.497 3.960 0.001 0.000 0.302 168 G HA3 0.536 4.497 3.960 0.001 0.000 0.302 168 G C 0.553 175.584 174.900 0.218 0.000 1.329 168 G CA 0.484 45.691 45.100 0.178 0.000 0.935 168 G HN 1.688 nan 8.290 nan 0.000 0.590 169 S N -0.550 115.221 115.700 0.119 0.000 2.558 169 S HA 0.174 4.645 4.470 0.001 0.000 0.217 169 S C 0.382 175.005 174.600 0.038 0.000 0.975 169 S CA 0.500 58.745 58.200 0.076 0.000 0.912 169 S CB 0.041 63.270 63.200 0.047 0.000 0.776 169 S HN 0.507 nan 8.310 nan 0.000 0.526 170 D N 1.292 121.722 120.400 0.051 0.000 2.427 170 D HA 0.228 4.869 4.640 0.001 0.000 0.226 170 D C -2.135 174.168 176.300 0.004 0.000 1.076 170 D CA -2.072 51.939 54.000 0.019 0.000 0.849 170 D CB 1.700 42.516 40.800 0.026 0.000 1.052 170 D HN -0.007 nan 8.370 nan 0.000 0.515 171 P HA -0.071 nan 4.420 nan 0.000 0.217 171 P C 1.032 178.291 177.300 -0.068 0.000 1.150 171 P CA 0.727 63.759 63.100 -0.114 0.000 0.832 171 P CB 0.344 31.955 31.700 -0.149 0.000 0.787 172 A N 0.592 123.387 122.820 -0.041 0.000 1.930 172 A HA -0.220 4.101 4.320 0.001 0.000 0.217 172 A C 2.257 179.833 177.584 -0.013 0.000 1.175 172 A CA 1.543 53.562 52.037 -0.031 0.000 0.627 172 A CB -1.188 17.798 19.000 -0.024 0.000 0.815 172 A HN 0.352 nan 8.150 nan 0.000 0.443 173 Q N -1.047 118.756 119.800 0.006 0.000 2.187 173 Q HA -0.126 4.215 4.340 0.001 0.000 0.199 173 Q C 0.848 176.868 176.000 0.033 0.000 0.957 173 Q CA 1.274 57.089 55.803 0.021 0.000 0.857 173 Q CB -0.385 28.371 28.738 0.030 0.000 0.929 173 Q HN 0.448 nan 8.270 nan 0.000 0.453 174 D N 1.290 121.722 120.400 0.055 0.000 2.183 174 D HA -0.013 4.627 4.640 0.001 0.000 0.203 174 D C 1.959 178.269 176.300 0.016 0.000 0.969 174 D CA 0.720 54.776 54.000 0.093 0.000 0.842 174 D CB 0.033 40.984 40.800 0.251 0.000 0.957 174 D HN 0.293 nan 8.370 nan 0.000 0.484 175 I N 1.158 121.714 120.570 -0.024 0.000 2.179 175 I HA -0.251 3.920 4.170 0.001 0.000 0.242 175 I C 2.488 178.580 176.117 -0.043 0.000 1.088 175 I CA 1.090 62.356 61.300 -0.056 0.000 1.357 175 I CB -0.117 37.846 38.000 -0.063 0.000 1.051 175 I HN -0.086 nan 8.210 nan 0.000 0.409 176 A N 0.399 123.208 122.820 -0.019 0.000 1.930 176 A HA -0.199 4.122 4.320 0.001 0.000 0.217 176 A C 2.326 179.914 177.584 0.006 0.000 1.175 176 A CA 1.448 53.482 52.037 -0.006 0.000 0.627 176 A CB -0.493 18.508 19.000 0.002 0.000 0.815 176 A HN 0.229 nan 8.150 nan 0.000 0.443 177 R N -0.294 120.213 120.500 0.012 0.000 2.080 177 R HA -0.091 4.250 4.340 0.001 0.000 0.236 177 R C 1.967 178.284 176.300 0.030 0.000 1.137 177 R CA 1.996 58.117 56.100 0.036 0.000 0.943 177 R CB -0.533 29.797 30.300 0.049 0.000 0.846 177 R HN 0.608 nan 8.270 nan 0.000 0.431 178 I N 0.647 121.152 120.570 -0.108 0.000 2.179 178 I HA -0.299 3.872 4.170 0.001 0.000 0.242 178 I C 2.396 178.493 176.117 -0.034 0.000 1.088 178 I CA 1.805 62.918 61.300 -0.312 0.000 1.357 178 I CB -0.439 37.212 38.000 -0.581 0.000 1.051 178 I HN 0.371 nan 8.210 nan 0.000 0.409 179 E N 1.614 121.800 120.200 -0.023 0.000 2.150 179 E HA -0.178 4.173 4.350 0.001 0.000 0.193 179 E C 2.135 178.766 176.600 0.052 0.000 0.985 179 E CA 1.185 57.597 56.400 0.019 0.000 0.814 179 E CB -0.249 29.450 29.700 -0.002 0.000 0.752 179 E HN 0.457 nan 8.360 nan 0.000 0.466 180 A N 1.714 124.566 122.820 0.054 0.000 1.854 180 A HA -0.029 4.291 4.320 0.001 0.000 0.214 180 A C 2.265 179.898 177.584 0.081 0.000 1.192 180 A CA 1.086 53.157 52.037 0.055 0.000 0.611 180 A CB -0.605 18.420 19.000 0.043 0.000 0.832 180 A HN 0.244 nan 8.150 nan 0.000 0.442 181 I N -0.574 120.076 120.570 0.133 0.000 2.163 181 I HA -0.241 3.930 4.170 0.001 0.000 0.243 181 I C 2.835 179.051 176.117 0.165 0.000 1.085 181 I CA 1.679 63.075 61.300 0.160 0.000 1.347 181 I CB -0.184 37.980 38.000 0.274 0.000 1.044 181 I HN 0.385 nan 8.210 nan 0.000 0.408 182 S N 0.054 115.902 115.700 0.247 0.000 2.383 182 S HA -0.073 4.398 4.470 0.001 0.000 0.227 182 S C 2.087 176.756 174.600 0.116 0.000 1.026 182 S CA 1.239 59.567 58.200 0.213 0.000 0.981 182 S CB -0.123 63.241 63.200 0.273 0.000 0.818 182 S HN 0.466 nan 8.310 nan 0.000 0.472 183 A N 0.193 123.066 122.820 0.088 0.000 1.975 183 A HA 0.343 4.663 4.320 0.001 0.000 0.215 183 A C 1.829 179.435 177.584 0.038 0.000 1.170 183 A CA 1.063 53.133 52.037 0.054 0.000 0.656 183 A CB -0.741 18.283 19.000 0.041 0.000 0.821 183 A HN 0.560 nan 8.150 nan 0.000 0.449 184 G N -0.320 108.502 108.800 0.035 0.000 3.814 184 G HA2 0.458 4.419 3.960 0.001 0.000 0.293 184 G HA3 0.458 4.419 3.960 0.001 0.000 0.293 184 G C 0.052 174.946 174.900 -0.011 0.000 1.243 184 G CA -0.371 44.735 45.100 0.010 0.000 1.053 184 G HN 0.315 nan 8.290 nan 0.000 0.562 185 L N 1.835 123.059 121.223 0.002 0.000 2.371 185 L HA 0.301 4.642 4.340 0.001 0.000 0.272 185 L C -1.341 175.493 176.870 -0.059 0.000 1.124 185 L CA -1.643 53.183 54.840 -0.023 0.000 0.816 185 L CB 1.339 43.424 42.059 0.044 0.000 1.129 185 L HN 0.123 nan 8.230 nan 0.000 0.448 186 P HA 0.070 nan 4.420 nan 0.000 0.269 186 P C -1.237 176.012 177.300 -0.086 0.000 1.215 186 P CA -0.398 62.575 63.100 -0.211 0.000 0.780 186 P CB 0.486 31.889 31.700 -0.496 0.000 0.898 187 D N -0.179 120.223 120.400 0.004 0.000 2.414 187 D HA 0.370 5.011 4.640 0.001 0.000 0.242 187 D C 1.452 177.876 176.300 0.206 0.000 1.129 187 D CA 1.293 55.346 54.000 0.087 0.000 0.885 187 D CB -0.015 40.820 40.800 0.059 0.000 1.198 187 D HN 0.687 nan 8.370 nan 0.000 0.437 188 G N 1.108 110.017 108.800 0.182 0.000 2.217 188 G HA2 -0.250 3.711 3.960 0.001 0.000 0.246 188 G HA3 -0.250 3.711 3.960 0.001 0.000 0.246 188 G C 0.105 175.108 174.900 0.171 0.000 0.990 188 G CA -0.220 44.981 45.100 0.167 0.000 0.627 188 G HN 0.669 nan 8.290 nan 0.000 0.522 189 H N 0.034 119.148 119.070 0.074 0.000 2.482 189 H HA 0.645 5.202 4.556 0.001 0.000 0.344 189 H C 0.173 175.559 175.328 0.096 0.000 1.151 189 H CA -0.346 55.763 56.048 0.102 0.000 1.300 189 H CB 1.263 31.142 29.762 0.194 0.000 1.494 189 H HN 0.119 nan 8.280 nan 0.000 0.542 190 R N 0.777 121.376 120.500 0.165 0.000 2.562 190 R HA 0.364 4.705 4.340 0.001 0.000 0.298 190 R C -1.383 174.992 176.300 0.125 0.000 0.961 190 R CA -0.676 55.499 56.100 0.125 0.000 0.881 190 R CB 2.074 32.425 30.300 0.086 0.000 1.159 190 R HN 0.306 nan 8.270 nan 0.000 0.450 191 V N 2.758 122.708 119.914 0.060 0.000 2.495 191 V HA 0.562 4.683 4.120 0.001 0.000 0.298 191 V C -0.983 175.002 176.094 -0.183 0.000 1.031 191 V CA -0.221 62.016 62.300 -0.105 0.000 0.871 191 V CB 2.239 33.901 31.823 -0.268 0.000 0.988 191 V HN 0.799 nan 8.190 nan 0.000 0.432 192 T N 7.484 121.908 114.554 -0.217 0.000 2.771 192 T HA 0.528 4.879 4.350 0.001 0.000 0.281 192 T C -0.633 173.878 174.700 -0.315 0.000 0.982 192 T CA 0.085 62.095 62.100 -0.150 0.000 0.978 192 T CB 0.679 69.476 68.868 -0.118 0.000 0.930 192 T HN 0.415 nan 8.240 nan 0.000 0.447 193 F N 2.655 122.632 119.950 0.046 0.000 2.405 193 F HA 0.256 4.784 4.527 0.002 0.000 0.358 193 F C 0.849 176.581 175.800 -0.113 0.000 1.151 193 F CA -1.008 56.975 58.000 -0.028 0.000 1.161 193 F CB 0.405 39.408 39.000 0.005 0.000 1.245 193 F HN 0.443 nan 8.300 nan 0.000 0.545 194 D N 3.476 123.853 120.400 -0.038 0.000 2.365 194 D HA 0.101 4.742 4.640 0.001 0.000 0.237 194 D C 0.686 176.863 176.300 -0.205 0.000 1.190 194 D CA -0.136 53.772 54.000 -0.153 0.000 0.867 194 D CB 1.492 42.155 40.800 -0.228 0.000 1.050 194 D HN 0.359 nan 8.370 nan 0.000 0.491 195 V N 3.588 123.317 119.914 -0.308 0.000 2.878 195 V HA 0.092 4.212 4.120 0.001 0.000 0.250 195 V C 0.773 176.658 176.094 -0.348 0.000 1.075 195 V CA 1.006 63.009 62.300 -0.496 0.000 1.096 195 V CB -1.011 30.164 31.823 -1.080 0.000 0.724 195 V HN 0.975 nan 8.190 nan 0.000 0.467 196 N N 1.493 120.044 118.700 -0.248 0.000 2.671 196 N HA -0.269 4.472 4.740 0.001 0.000 0.261 196 N C 0.407 175.835 175.510 -0.136 0.000 1.053 196 N CA 0.746 53.699 53.050 -0.161 0.000 0.732 196 N CB -0.710 37.702 38.487 -0.125 0.000 0.887 196 N HN 0.805 nan 8.380 nan 0.000 0.546 197 R N -2.754 117.664 120.500 -0.137 0.000 4.000 197 R HA -0.272 4.069 4.340 0.001 0.000 0.362 197 R C 1.195 177.463 176.300 -0.053 0.000 1.183 197 R CA 1.186 57.238 56.100 -0.080 0.000 1.011 197 R CB -2.021 28.240 30.300 -0.065 0.000 1.501 197 R HN 0.528 nan 8.270 nan 0.000 0.553 198 A N -0.369 122.382 122.820 -0.115 0.000 2.067 198 A HA -0.020 4.301 4.320 0.001 0.000 0.217 198 A C 0.436 178.093 177.584 0.122 0.000 1.156 198 A CA 0.508 52.513 52.037 -0.053 0.000 0.683 198 A CB 0.022 18.940 19.000 -0.135 0.000 0.808 198 A HN 0.317 nan 8.150 nan 0.000 0.455 199 W N 1.101 122.396 121.300 -0.009 0.000 2.381 199 W HA 0.464 5.125 4.660 0.001 0.000 0.329 199 W C 0.500 177.014 176.519 -0.008 0.000 1.157 199 W CA -0.748 56.592 57.345 -0.008 0.000 1.240 199 W CB 0.350 29.807 29.460 -0.006 0.000 1.199 199 W HN 0.174 nan 8.180 nan 0.000 0.579 200 T N -0.224 114.453 114.554 0.206 0.000 2.882 200 T HA 0.207 4.557 4.350 0.001 0.000 0.287 200 T C -1.741 173.015 174.700 0.093 0.000 1.014 200 T CA -1.486 60.676 62.100 0.104 0.000 1.049 200 T CB 1.461 70.354 68.868 0.042 0.000 1.001 200 T HN 0.043 nan 8.240 nan 0.000 0.525 201 P HA -0.170 nan 4.420 nan 0.000 0.216 201 P C 1.699 179.022 177.300 0.039 0.000 1.154 201 P CA 1.750 64.905 63.100 0.093 0.000 0.865 201 P CB -0.303 31.453 31.700 0.093 0.000 0.789 202 A N -0.553 122.266 122.820 -0.003 0.000 1.883 202 A HA -0.207 4.113 4.320 0.001 0.000 0.217 202 A C 2.143 179.651 177.584 -0.127 0.000 1.186 202 A CA 1.706 53.717 52.037 -0.045 0.000 0.624 202 A CB -1.492 17.482 19.000 -0.043 0.000 0.822 202 A HN 0.056 nan 8.150 nan 0.000 0.444 203 I N -0.210 120.248 120.570 -0.187 0.000 2.202 203 I HA -0.202 3.969 4.170 0.001 0.000 0.242 203 I C 2.992 178.725 176.117 -0.640 0.000 1.091 203 I CA 1.384 62.445 61.300 -0.399 0.000 1.368 203 I CB -1.709 36.017 38.000 -0.456 0.000 1.058 203 I HN 0.365 nan 8.210 nan 0.000 0.410 204 A N 0.943 123.469 122.820 -0.491 0.000 1.917 204 A HA -0.175 4.146 4.320 0.001 0.000 0.219 204 A C 2.565 179.992 177.584 -0.261 0.000 1.182 204 A CA 2.142 53.949 52.037 -0.383 0.000 0.633 204 A CB -1.025 18.044 19.000 0.115 0.000 0.819 204 A HN 0.258 nan 8.150 nan 0.000 0.448 205 V N -0.095 119.724 119.914 -0.158 0.000 2.307 205 V HA -0.257 3.863 4.120 0.001 0.000 0.245 205 V C 2.555 178.558 176.094 -0.151 0.000 1.045 205 V CA 2.318 64.550 62.300 -0.113 0.000 1.024 205 V CB -0.702 31.086 31.823 -0.058 0.000 0.651 205 V HN 0.820 nan 8.190 nan 0.000 0.449 206 E N 0.152 120.238 120.200 -0.191 0.000 2.051 206 E HA -0.192 4.159 4.350 0.001 0.000 0.192 206 E C 2.199 178.669 176.600 -0.217 0.000 0.991 206 E CA 1.856 58.146 56.400 -0.183 0.000 0.799 206 E CB -0.061 29.531 29.700 -0.180 0.000 0.748 206 E HN 0.373 nan 8.360 nan 0.000 0.449 207 V N 1.397 121.104 119.914 -0.344 0.000 2.261 207 V HA -0.271 3.850 4.120 0.001 0.000 0.246 207 V C 2.518 178.483 176.094 -0.215 0.000 1.047 207 V CA 1.754 63.848 62.300 -0.343 0.000 1.015 207 V CB -0.482 30.960 31.823 -0.635 0.000 0.642 207 V HN 0.355 nan 8.190 nan 0.000 0.446 208 L N 0.295 121.402 121.223 -0.194 0.000 2.217 208 L HA -0.060 4.280 4.340 0.001 0.000 0.211 208 L C 1.824 178.653 176.870 -0.068 0.000 1.107 208 L CA 0.976 55.767 54.840 -0.081 0.000 0.783 208 L CB -0.526 41.525 42.059 -0.014 0.000 0.919 208 L HN 0.390 nan 8.230 nan 0.000 0.442 209 N N -1.078 117.571 118.700 -0.085 0.000 2.336 209 N HA 0.001 4.742 4.740 0.001 0.000 0.189 209 N C 1.217 176.687 175.510 -0.065 0.000 1.113 209 N CA 0.325 53.335 53.050 -0.067 0.000 0.858 209 N CB 0.579 39.027 38.487 -0.065 0.000 0.970 209 N HN 0.087 nan 8.380 nan 0.000 0.471 210 S N -0.382 115.271 115.700 -0.078 0.000 2.540 210 S HA 0.213 4.684 4.470 0.001 0.000 0.218 210 S C 0.404 174.970 174.600 -0.057 0.000 0.977 210 S CA -0.251 57.908 58.200 -0.068 0.000 0.918 210 S CB 1.108 64.260 63.200 -0.082 0.000 0.806 210 S HN -0.080 nan 8.310 nan 0.000 0.496 211 V N 1.496 121.378 119.914 -0.054 0.000 2.656 211 V HA 0.377 4.498 4.120 0.001 0.000 0.307 211 V C 0.518 176.596 176.094 -0.026 0.000 1.051 211 V CA -0.752 61.521 62.300 -0.046 0.000 0.893 211 V CB 2.080 33.863 31.823 -0.067 0.000 0.999 211 V HN 0.144 nan 8.190 nan 0.000 0.426 212 R N 2.522 123.015 120.500 -0.013 0.000 2.246 212 R HA 0.287 4.628 4.340 0.001 0.000 0.199 212 R C 0.873 177.182 176.300 0.015 0.000 0.984 212 R CA 0.607 56.707 56.100 -0.001 0.000 1.015 212 R CB 0.254 30.557 30.300 0.004 0.000 0.930 212 R HN 0.750 nan 8.270 nan 0.000 0.475 213 A N 1.597 124.433 122.820 0.028 0.000 2.477 213 A HA 0.108 4.429 4.320 0.001 0.000 0.246 213 A C 0.369 177.992 177.584 0.066 0.000 1.078 213 A CA 0.068 52.147 52.037 0.071 0.000 0.770 213 A CB 0.320 19.392 19.000 0.120 0.000 1.011 213 A HN 0.185 nan 8.150 nan 0.000 0.494 214 R N 1.999 122.538 120.500 0.065 0.000 2.662 214 R HA 0.132 4.473 4.340 0.001 0.000 0.396 214 R C -0.915 175.395 176.300 0.016 0.000 1.096 214 R CA -0.299 55.815 56.100 0.023 0.000 1.081 214 R CB 0.024 30.314 30.300 -0.017 0.000 1.382 214 R HN 0.748 nan 8.270 nan 0.000 0.580 215 D N 0.294 120.770 120.400 0.125 0.000 2.361 215 D HA -0.039 4.602 4.640 0.001 0.000 0.239 215 D C 0.260 176.657 176.300 0.162 0.000 1.200 215 D CA 0.059 54.150 54.000 0.151 0.000 0.915 215 D CB 0.792 41.759 40.800 0.278 0.000 1.170 215 D HN -0.059 nan 8.370 nan 0.000 0.444 216 W N 0.442 121.809 121.300 0.112 0.000 2.409 216 W HA -0.033 4.627 4.660 0.001 0.000 0.338 216 W C 0.221 176.828 176.519 0.146 0.000 1.273 216 W CA -0.177 57.226 57.345 0.095 0.000 1.299 216 W CB 0.224 29.717 29.460 0.056 0.000 1.192 216 W HN 0.044 nan 8.180 nan 0.000 0.565 217 I N 3.586 124.405 120.570 0.416 0.000 2.362 217 I HA 0.139 4.310 4.170 0.001 0.000 0.289 217 I C -0.051 176.189 176.117 0.206 0.000 0.994 217 I CA -1.350 60.122 61.300 0.287 0.000 1.158 217 I CB 1.134 39.276 38.000 0.236 0.000 1.315 217 I HN 0.440 nan 8.210 nan 0.000 0.451 218 E N 6.594 126.841 120.200 0.078 0.000 2.146 218 E HA 0.144 4.495 4.350 0.001 0.000 0.282 218 E C -0.453 176.100 176.600 -0.078 0.000 0.989 218 E CA -0.399 55.982 56.400 -0.031 0.000 0.799 218 E CB 0.693 30.314 29.700 -0.132 0.000 1.088 218 E HN 0.371 nan 8.360 nan 0.000 0.397 219 Q N 2.986 122.747 119.800 -0.065 0.000 2.391 219 Q HA -0.167 4.174 4.340 0.001 0.000 0.366 219 Q C -1.950 174.000 176.000 -0.083 0.000 1.305 219 Q CA 0.134 55.891 55.803 -0.077 0.000 1.123 219 Q CB -0.386 28.284 28.738 -0.114 0.000 1.259 219 Q HN 0.575 nan 8.270 nan 0.000 0.307 220 P HA -0.078 nan 4.420 nan 0.000 0.219 220 P C 0.371 177.706 177.300 0.058 0.000 1.150 220 P CA 0.976 64.091 63.100 0.025 0.000 0.814 220 P CB 0.389 32.239 31.700 0.250 0.000 0.787 221 C N -2.816 116.515 119.300 0.052 0.000 3.028 221 C HA 0.361 4.822 4.460 0.001 0.000 0.338 221 C C 1.837 176.831 174.990 0.007 0.000 1.366 221 C CA -0.329 58.725 59.018 0.060 0.000 1.610 221 C CB 1.024 28.816 27.740 0.087 0.000 2.063 221 C HN 0.012 nan 8.230 nan 0.000 0.463 222 Q N 0.801 120.606 119.800 0.008 0.000 2.079 222 Q HA -0.009 4.332 4.340 0.001 0.000 0.200 222 Q C 1.014 177.002 176.000 -0.019 0.000 0.974 222 Q CA 1.725 57.520 55.803 -0.013 0.000 0.840 222 Q CB -0.022 28.712 28.738 -0.006 0.000 0.898 222 Q HN 0.980 nan 8.270 nan 0.000 0.430 223 T N -3.856 110.694 114.554 -0.008 0.000 2.930 223 T HA 0.330 4.681 4.350 0.001 0.000 0.290 223 T C 0.973 175.668 174.700 -0.009 0.000 1.052 223 T CA -0.769 61.326 62.100 -0.009 0.000 1.017 223 T CB 0.690 69.557 68.868 -0.002 0.000 1.137 223 T HN 0.156 nan 8.240 nan 0.000 0.511 224 L N 0.346 121.561 121.223 -0.015 0.000 2.013 224 L HA -0.111 4.230 4.340 0.001 0.000 0.212 224 L C 2.437 179.316 176.870 0.014 0.000 1.073 224 L CA 2.422 57.255 54.840 -0.011 0.000 0.753 224 L CB -0.492 41.558 42.059 -0.015 0.000 0.890 224 L HN 0.989 nan 8.230 nan 0.000 0.432 225 D N -1.152 119.257 120.400 0.016 0.000 2.123 225 D HA -0.269 4.372 4.640 0.001 0.000 0.196 225 D C 2.194 178.523 176.300 0.047 0.000 0.992 225 D CA 1.500 55.516 54.000 0.027 0.000 0.833 225 D CB 0.114 40.920 40.800 0.010 0.000 0.954 225 D HN 0.364 nan 8.370 nan 0.000 0.455 226 Q N -0.810 119.010 119.800 0.035 0.000 2.079 226 Q HA -0.102 4.239 4.340 0.001 0.000 0.200 226 Q C 2.451 178.513 176.000 0.103 0.000 0.974 226 Q CA 1.262 57.098 55.803 0.055 0.000 0.840 226 Q CB -0.071 28.686 28.738 0.032 0.000 0.898 226 Q HN 0.433 nan 8.270 nan 0.000 0.430 227 C N 0.125 119.468 119.300 0.070 0.000 2.446 227 C HA -0.084 4.377 4.460 0.001 0.000 0.277 227 C C 2.836 177.870 174.990 0.073 0.000 1.275 227 C CA 0.735 59.794 59.018 0.069 0.000 1.727 227 C CB -1.091 26.668 27.740 0.032 0.000 2.010 227 C HN 0.617 nan 8.230 nan 0.000 0.486 228 A N -0.241 122.620 122.820 0.069 0.000 1.933 228 A HA -0.240 4.081 4.320 0.001 0.000 0.218 228 A C 1.849 179.475 177.584 0.070 0.000 1.175 228 A CA 2.197 54.270 52.037 0.060 0.000 0.628 228 A CB -0.957 18.074 19.000 0.052 0.000 0.814 228 A HN 0.773 nan 8.150 nan 0.000 0.444 229 H N -0.398 118.678 119.070 0.011 0.000 2.321 229 H HA -0.086 4.471 4.556 0.001 0.000 0.300 229 H C 1.876 177.210 175.328 0.010 0.000 1.087 229 H CA 2.105 58.157 56.048 0.007 0.000 1.319 229 H CB -0.161 29.605 29.762 0.006 0.000 1.379 229 H HN 0.128 nan 8.280 nan 0.000 0.501 230 V N 0.670 120.624 119.914 0.067 0.000 2.295 230 V HA -0.276 3.845 4.120 0.001 0.000 0.246 230 V C 2.722 178.803 176.094 -0.022 0.000 1.049 230 V CA 1.728 64.043 62.300 0.024 0.000 1.024 230 V CB -1.265 30.620 31.823 0.103 0.000 0.648 230 V HN 0.698 nan 8.190 nan 0.000 0.447 231 A N -0.150 122.671 122.820 0.003 0.000 1.940 231 A HA -0.237 4.084 4.320 0.001 0.000 0.219 231 A C 2.333 179.895 177.584 -0.037 0.000 1.176 231 A CA 1.738 53.774 52.037 -0.002 0.000 0.631 231 A CB -0.528 18.485 19.000 0.021 0.000 0.814 231 A HN 0.518 nan 8.150 nan 0.000 0.446 232 R N -1.021 119.436 120.500 -0.072 0.000 2.237 232 R HA -0.008 4.333 4.340 0.001 0.000 0.219 232 R C 1.653 177.887 176.300 -0.110 0.000 1.080 232 R CA 1.085 57.129 56.100 -0.093 0.000 0.995 232 R CB -0.101 30.128 30.300 -0.119 0.000 0.875 232 R HN 0.467 nan 8.270 nan 0.000 0.462 233 R N 0.058 120.481 120.500 -0.129 0.000 2.373 233 R HA 0.119 4.460 4.340 0.001 0.000 0.221 233 R C 0.522 176.776 176.300 -0.077 0.000 0.893 233 R CA 0.195 56.221 56.100 -0.124 0.000 1.049 233 R CB 1.123 31.313 30.300 -0.184 0.000 1.119 233 R HN 0.023 nan 8.270 nan 0.000 0.535 234 V N -4.105 115.776 119.914 -0.055 0.000 3.155 234 V HA 0.758 4.878 4.120 0.001 0.000 0.313 234 V C 0.278 176.354 176.094 -0.029 0.000 1.162 234 V CA -0.651 61.628 62.300 -0.035 0.000 1.048 234 V CB 1.895 33.710 31.823 -0.014 0.000 1.092 234 V HN -0.069 nan 8.190 nan 0.000 0.447 235 A N 0.834 123.639 122.820 -0.025 0.000 2.303 235 A HA 0.422 4.743 4.320 0.001 0.000 0.217 235 A C 0.706 178.268 177.584 -0.037 0.000 1.205 235 A CA -0.099 51.920 52.037 -0.030 0.000 0.875 235 A CB -0.873 18.110 19.000 -0.029 0.000 0.910 235 A HN 0.902 nan 8.150 nan 0.000 0.501 236 N N 1.422 120.109 118.700 -0.021 0.000 2.525 236 N HA 0.416 5.157 4.740 0.001 0.000 0.271 236 N C -2.910 172.554 175.510 -0.078 0.000 1.194 236 N CA -1.113 51.917 53.050 -0.034 0.000 0.964 236 N CB 0.175 38.685 38.487 0.039 0.000 1.126 236 N HN 0.041 nan 8.380 nan 0.000 0.452 237 P HA 0.091 nan 4.420 nan 0.000 0.264 237 P C -0.670 176.605 177.300 -0.041 0.000 1.193 237 P CA 0.248 63.143 63.100 -0.343 0.000 0.763 237 P CB 0.418 31.479 31.700 -1.065 0.000 0.810 238 I N 3.554 124.202 120.570 0.130 0.000 2.404 238 I HA 0.406 4.577 4.170 0.001 0.000 0.293 238 I C 0.132 176.477 176.117 0.380 0.000 0.992 238 I CA -0.615 60.834 61.300 0.250 0.000 1.149 238 I CB 1.538 39.615 38.000 0.128 0.000 1.315 238 I HN 0.263 nan 8.210 nan 0.000 0.446 239 M N 7.460 127.250 119.600 0.317 0.000 2.268 239 M HA 0.571 5.052 4.480 0.001 0.000 0.344 239 M C -1.740 174.521 176.300 -0.065 0.000 1.106 239 M CA -0.159 55.170 55.300 0.048 0.000 1.010 239 M CB 0.916 33.428 32.600 -0.147 0.000 1.649 239 M HN 0.329 nan 8.290 nan 0.000 0.443 240 L N 4.097 125.224 121.223 -0.160 0.000 2.334 240 L HA 0.626 4.967 4.340 0.001 0.000 0.272 240 L C -0.062 176.690 176.870 -0.198 0.000 1.020 240 L CA 0.288 55.020 54.840 -0.179 0.000 0.812 240 L CB 1.696 43.624 42.059 -0.218 0.000 1.264 240 L HN 0.955 nan 8.230 nan 0.000 0.439 241 D N -0.807 119.478 120.400 -0.192 0.000 2.467 241 D HA 0.009 4.650 4.640 0.001 0.000 0.111 241 D C 1.002 177.167 176.300 -0.226 0.000 1.441 241 D CA 0.158 54.050 54.000 -0.180 0.000 1.444 241 D CB 0.179 40.880 40.800 -0.166 0.000 2.206 241 D HN 0.431 nan 8.370 nan 0.000 0.202 242 E N -0.035 120.022 120.200 -0.239 0.000 2.268 242 E HA -0.011 4.339 4.350 0.001 0.000 0.195 242 E C 2.010 178.374 176.600 -0.393 0.000 0.995 242 E CA 1.155 57.367 56.400 -0.314 0.000 0.836 242 E CB -0.228 29.282 29.700 -0.316 0.000 0.763 242 E HN 0.519 nan 8.360 nan 0.000 0.491 243 C N -0.537 118.568 119.300 -0.325 0.000 2.562 243 C HA 0.264 4.725 4.460 0.001 0.000 0.266 243 C C 0.647 175.363 174.990 -0.457 0.000 1.382 243 C CA -0.746 58.093 59.018 -0.299 0.000 1.742 243 C CB -1.306 26.346 27.740 -0.146 0.000 1.812 243 C HN 0.049 nan 8.230 nan 0.000 0.559 244 L N 1.925 122.814 121.223 -0.558 0.000 2.297 244 L HA 0.410 4.751 4.340 0.001 0.000 0.277 244 L C 1.051 177.689 176.870 -0.387 0.000 1.040 244 L CA -0.086 54.452 54.840 -0.503 0.000 0.867 244 L CB 0.063 41.714 42.059 -0.680 0.000 1.244 244 L HN 0.295 nan 8.230 nan 0.000 0.433 245 H N 1.365 120.432 119.070 -0.005 0.000 2.604 245 H HA 0.197 4.754 4.556 0.001 0.000 0.273 245 H C 0.178 175.587 175.328 0.136 0.000 0.971 245 H CA 0.316 56.402 56.048 0.062 0.000 1.249 245 H CB 1.082 30.859 29.762 0.025 0.000 1.449 245 H HN 0.675 nan 8.280 nan 0.000 0.512 246 E N -0.778 119.581 120.200 0.264 0.000 2.459 246 E HA 0.078 4.429 4.350 0.001 0.000 0.275 246 E C -0.096 176.731 176.600 0.378 0.000 0.987 246 E CA -0.876 55.690 56.400 0.277 0.000 0.828 246 E CB 0.834 30.659 29.700 0.207 0.000 1.428 246 E HN -0.105 nan 8.360 nan 0.000 0.457 247 F N 1.885 121.931 119.950 0.160 0.000 2.171 247 F HA -0.197 4.331 4.527 0.001 0.000 0.300 247 F C 2.346 178.201 175.800 0.092 0.000 1.090 247 F CA 2.341 60.397 58.000 0.094 0.000 1.293 247 F CB -0.065 38.913 39.000 -0.037 0.000 1.013 247 F HN 0.545 nan 8.300 nan 0.000 0.486 248 S N -0.727 115.017 115.700 0.074 0.000 2.419 248 S HA -0.193 4.277 4.470 0.001 0.000 0.233 248 S C 1.724 176.295 174.600 -0.048 0.000 1.016 248 S CA 1.372 59.557 58.200 -0.025 0.000 0.974 248 S CB -0.682 62.557 63.200 0.064 0.000 0.786 248 S HN 0.442 nan 8.310 nan 0.000 0.492 249 D N 1.305 121.701 120.400 -0.006 0.000 2.178 249 D HA -0.043 4.598 4.640 0.001 0.000 0.202 249 D C 1.709 177.930 176.300 -0.131 0.000 0.974 249 D CA 1.298 55.257 54.000 -0.069 0.000 0.841 249 D CB -0.427 40.308 40.800 -0.109 0.000 0.953 249 D HN 0.610 nan 8.370 nan 0.000 0.478 250 H N 0.063 119.068 119.070 -0.108 0.000 2.363 250 H HA -0.008 4.549 4.556 0.001 0.000 0.301 250 H C 1.895 177.207 175.328 -0.026 0.000 1.074 250 H CA 0.373 56.421 56.048 -0.000 0.000 1.354 250 H CB -0.145 29.576 29.762 -0.069 0.000 1.397 250 H HN -0.017 nan 8.280 nan 0.000 0.516 251 L N 0.796 121.811 121.223 -0.347 0.000 2.012 251 L HA -0.160 4.181 4.340 0.001 0.000 0.210 251 L C 2.415 179.379 176.870 0.156 0.000 1.073 251 L CA 1.911 56.610 54.840 -0.235 0.000 0.748 251 L CB -1.211 40.621 42.059 -0.379 0.000 0.891 251 L HN 0.325 nan 8.230 nan 0.000 0.431 252 A N -1.092 121.775 122.820 0.078 0.000 1.940 252 A HA -0.152 4.169 4.320 0.001 0.000 0.219 252 A C 2.437 180.109 177.584 0.146 0.000 1.176 252 A CA 1.919 54.017 52.037 0.102 0.000 0.631 252 A CB -0.961 18.066 19.000 0.045 0.000 0.814 252 A HN 0.500 nan 8.150 nan 0.000 0.446 253 A N -1.472 121.462 122.820 0.190 0.000 1.902 253 A HA -0.138 4.183 4.320 0.001 0.000 0.217 253 A C 1.998 179.821 177.584 0.398 0.000 1.181 253 A CA 1.568 53.748 52.037 0.238 0.000 0.623 253 A CB -0.892 18.227 19.000 0.199 0.000 0.818 253 A HN 0.909 nan 8.150 nan 0.000 0.443 254 W N 1.859 123.405 121.300 0.409 0.000 2.381 254 W HA -0.221 4.440 4.660 0.001 0.000 0.301 254 W C 2.566 179.205 176.519 0.200 0.000 1.205 254 W CA 2.590 60.164 57.345 0.380 0.000 1.285 254 W CB -0.353 29.317 29.460 0.349 0.000 1.133 254 W HN 0.393 nan 8.180 nan 0.000 0.521 255 S N 0.230 115.928 115.700 -0.003 0.000 2.423 255 S HA -0.135 4.336 4.470 0.001 0.000 0.231 255 S C 1.776 176.243 174.600 -0.222 0.000 1.014 255 S CA 1.162 59.170 58.200 -0.319 0.000 0.965 255 S CB -0.435 62.767 63.200 0.003 0.000 0.785 255 S HN 0.293 nan 8.310 nan 0.000 0.495 256 R N 1.070 121.526 120.500 -0.073 0.000 2.240 256 R HA 0.287 4.628 4.340 0.001 0.000 0.203 256 R C 1.456 177.721 176.300 -0.058 0.000 1.011 256 R CA 0.679 56.751 56.100 -0.046 0.000 1.007 256 R CB -0.618 29.688 30.300 0.011 0.000 0.911 256 R HN 0.610 nan 8.270 nan 0.000 0.468 257 G N -0.424 108.332 108.800 -0.074 0.000 2.272 257 G HA2 -0.290 3.671 3.960 0.001 0.000 0.280 257 G HA3 -0.290 3.671 3.960 0.001 0.000 0.280 257 G C 0.646 175.577 174.900 0.050 0.000 1.067 257 G CA 0.310 45.392 45.100 -0.030 0.000 0.902 257 G HN 0.437 nan 8.290 nan 0.000 0.500 258 A N -1.451 121.425 122.820 0.092 0.000 2.123 258 A HA 0.529 4.849 4.320 0.001 0.000 0.214 258 A C 1.633 179.262 177.584 0.076 0.000 1.152 258 A CA 1.939 54.018 52.037 0.071 0.000 0.728 258 A CB -0.227 18.809 19.000 0.059 0.000 0.814 258 A HN 2.243 nan 8.150 nan 0.000 0.464 259 C N -4.077 115.296 119.300 0.123 0.000 3.321 259 C HA 0.824 5.284 4.460 0.001 0.000 0.329 259 C C -0.156 174.947 174.990 0.188 0.000 1.394 259 C CA -0.507 58.566 59.018 0.092 0.000 1.291 259 C CB 1.037 28.736 27.740 -0.068 0.000 1.606 259 C HN 0.211 nan 8.230 nan 0.000 0.463 260 E N 0.024 120.343 120.200 0.198 0.000 2.601 260 E HA 0.488 4.839 4.350 0.001 0.000 0.219 260 E C 0.463 177.286 176.600 0.372 0.000 0.964 260 E CA 0.712 57.311 56.400 0.332 0.000 1.050 260 E CB 1.463 31.291 29.700 0.215 0.000 1.068 260 E HN 1.146 nan 8.360 nan 0.000 0.496 261 G N 0.126 108.968 108.800 0.071 0.000 2.698 261 G HA2 0.541 4.502 3.960 0.001 0.000 0.293 261 G HA3 0.541 4.502 3.960 0.001 0.000 0.293 261 G C -1.328 173.281 174.900 -0.484 0.000 1.437 261 G CA -0.544 44.445 45.100 -0.185 0.000 0.852 261 G HN 0.189 nan 8.290 nan 0.000 0.499 262 V N -1.820 117.827 119.914 -0.444 0.000 2.823 262 V HA 0.730 4.851 4.120 0.001 0.000 0.312 262 V C -0.413 175.596 176.094 -0.142 0.000 1.072 262 V CA -1.451 60.653 62.300 -0.327 0.000 0.937 262 V CB 1.959 33.581 31.823 -0.334 0.000 1.013 262 V HN 0.683 nan 8.190 nan 0.000 0.430 263 K N 3.834 124.171 120.400 -0.106 0.000 2.276 263 K HA 0.583 4.904 4.320 0.001 0.000 0.283 263 K C -0.848 175.766 176.600 0.023 0.000 1.044 263 K CA -0.224 56.044 56.287 -0.032 0.000 0.944 263 K CB 1.378 33.829 32.500 -0.083 0.000 1.012 263 K HN 0.688 nan 8.250 nan 0.000 0.472 264 I N 3.809 124.413 120.570 0.057 0.000 2.330 264 I HA 0.232 4.402 4.170 0.001 0.000 0.289 264 I C -0.208 175.956 176.117 0.079 0.000 1.001 264 I CA -0.624 60.727 61.300 0.084 0.000 1.193 264 I CB 1.016 39.067 38.000 0.084 0.000 1.345 264 I HN 0.294 nan 8.210 nan 0.000 0.461 265 K N 7.203 127.656 120.400 0.088 0.000 2.535 265 K HA 0.342 4.663 4.320 0.001 0.000 0.253 265 K C -2.190 174.481 176.600 0.118 0.000 0.953 265 K CA -1.592 54.757 56.287 0.104 0.000 0.863 265 K CB 2.289 34.854 32.500 0.109 0.000 1.111 265 K HN 0.139 nan 8.250 nan 0.000 0.431 266 P HA -0.256 nan 4.420 nan 0.000 0.217 266 P C 0.837 178.225 177.300 0.147 0.000 1.151 266 P CA 1.330 64.497 63.100 0.112 0.000 0.849 266 P CB 0.212 31.967 31.700 0.093 0.000 0.787 267 N N -0.976 117.829 118.700 0.175 0.000 2.331 267 N HA -0.147 4.594 4.740 0.001 0.000 0.180 267 N C 1.940 177.589 175.510 0.231 0.000 1.019 267 N CA 0.506 53.688 53.050 0.220 0.000 0.881 267 N CB -0.020 38.619 38.487 0.253 0.000 0.972 267 N HN 0.029 nan 8.380 nan 0.000 0.435 268 R N 0.680 121.293 120.500 0.188 0.000 2.093 268 R HA -0.038 4.303 4.340 0.001 0.000 0.224 268 R C 2.002 178.416 176.300 0.190 0.000 1.101 268 R CA 1.171 57.375 56.100 0.174 0.000 0.979 268 R CB 0.113 30.470 30.300 0.094 0.000 0.877 268 R HN 0.170 nan 8.270 nan 0.000 0.441 269 V N -3.500 116.516 119.914 0.170 0.000 3.660 269 V HA 0.449 4.570 4.120 0.001 0.000 0.276 269 V C 0.803 176.990 176.094 0.155 0.000 1.317 269 V CA 0.575 62.978 62.300 0.172 0.000 1.097 269 V CB 0.574 32.490 31.823 0.156 0.000 0.863 269 V HN 0.413 nan 8.190 nan 0.000 0.438 270 G N -1.220 107.671 108.800 0.152 0.000 2.135 270 G HA2 0.360 4.321 3.960 0.001 0.000 0.183 270 G HA3 0.360 4.321 3.960 0.001 0.000 0.183 270 G C 0.956 175.929 174.900 0.122 0.000 1.004 270 G CA 0.019 45.198 45.100 0.132 0.000 0.677 270 G HN 2.281 nan 8.290 nan 0.000 0.512 271 G N -1.658 107.215 108.800 0.123 0.000 2.409 271 G HA2 0.118 4.079 3.960 0.001 0.000 0.421 271 G HA3 0.118 4.079 3.960 0.001 0.000 0.421 271 G C 0.649 175.600 174.900 0.087 0.000 1.259 271 G CA -0.057 45.113 45.100 0.117 0.000 1.011 271 G HN 0.992 nan 8.290 nan 0.000 0.497 272 L N 0.145 121.401 121.223 0.055 0.000 2.179 272 L HA 0.049 4.390 4.340 0.001 0.000 0.208 272 L C 3.206 180.100 176.870 0.040 0.000 1.096 272 L CA 2.005 56.771 54.840 -0.123 0.000 0.779 272 L CB -0.518 41.162 42.059 -0.632 0.000 0.922 272 L HN 0.730 nan 8.230 nan 0.000 0.443 273 T N -0.859 113.905 114.554 0.351 0.000 2.777 273 T HA -0.109 4.242 4.350 0.001 0.000 0.266 273 T C 2.037 176.835 174.700 0.162 0.000 1.040 273 T CA 0.916 63.241 62.100 0.375 0.000 1.141 273 T CB -0.048 69.020 68.868 0.333 0.000 0.868 273 T HN 0.184 nan 8.240 nan 0.000 0.444 274 R N 1.183 121.754 120.500 0.119 0.000 2.090 274 R HA 0.222 4.563 4.340 0.001 0.000 0.228 274 R C 2.706 179.041 176.300 0.059 0.000 1.110 274 R CA 1.132 57.276 56.100 0.074 0.000 0.973 274 R CB -0.978 29.377 30.300 0.090 0.000 0.869 274 R HN 0.416 nan 8.270 nan 0.000 0.440 275 A N 1.476 124.330 122.820 0.057 0.000 1.933 275 A HA -0.139 4.182 4.320 0.001 0.000 0.218 275 A C 2.264 179.867 177.584 0.032 0.000 1.175 275 A CA 1.039 53.098 52.037 0.038 0.000 0.628 275 A CB -0.404 18.610 19.000 0.023 0.000 0.814 275 A HN 0.086 nan 8.150 nan 0.000 0.444 276 R N -0.117 120.397 120.500 0.022 0.000 2.075 276 R HA -0.174 4.167 4.340 0.001 0.000 0.232 276 R C 2.361 178.693 176.300 0.052 0.000 1.126 276 R CA 1.931 58.050 56.100 0.031 0.000 0.963 276 R CB -0.455 29.869 30.300 0.041 0.000 0.858 276 R HN 0.796 nan 8.270 nan 0.000 0.435 277 Q N 0.306 120.125 119.800 0.030 0.000 2.084 277 Q HA -0.143 4.198 4.340 0.001 0.000 0.202 277 Q C 2.193 178.256 176.000 0.105 0.000 0.978 277 Q CA 1.684 57.474 55.803 -0.020 0.000 0.844 277 Q CB -0.136 28.485 28.738 -0.196 0.000 0.898 277 Q HN 0.394 nan 8.270 nan 0.000 0.426 278 I N 0.545 121.199 120.570 0.140 0.000 2.163 278 I HA -0.312 3.858 4.170 0.001 0.000 0.243 278 I C 2.869 179.140 176.117 0.257 0.000 1.085 278 I CA 1.111 62.534 61.300 0.205 0.000 1.347 278 I CB -0.465 37.491 38.000 -0.073 0.000 1.044 278 I HN 0.236 nan 8.210 nan 0.000 0.408 279 R N 1.119 121.716 120.500 0.161 0.000 2.094 279 R HA -0.226 4.115 4.340 0.001 0.000 0.239 279 R C 1.801 178.184 176.300 0.138 0.000 1.137 279 R CA 2.333 58.520 56.100 0.146 0.000 0.943 279 R CB -0.668 29.684 30.300 0.086 0.000 0.850 279 R HN 0.338 nan 8.270 nan 0.000 0.433 280 D N -0.368 120.104 120.400 0.120 0.000 2.117 280 D HA -0.166 4.475 4.640 0.001 0.000 0.197 280 D C 1.644 177.995 176.300 0.085 0.000 0.987 280 D CA 1.001 55.052 54.000 0.085 0.000 0.829 280 D CB -0.482 40.359 40.800 0.068 0.000 0.961 280 D HN 0.233 nan 8.370 nan 0.000 0.460 281 F N 1.349 121.316 119.950 0.027 0.000 2.095 281 F HA -0.111 4.416 4.527 0.001 0.000 0.298 281 F C 2.272 177.967 175.800 -0.175 0.000 1.104 281 F CA 2.027 60.005 58.000 -0.037 0.000 1.232 281 F CB -0.368 38.712 39.000 0.133 0.000 0.987 281 F HN -0.016 nan 8.300 nan 0.000 0.475 282 G N -0.136 108.670 108.800 0.010 0.000 2.422 282 G HA2 -0.218 3.743 3.960 0.001 0.000 0.218 282 G HA3 -0.218 3.743 3.960 0.001 0.000 0.218 282 G C 1.690 176.519 174.900 -0.118 0.000 1.146 282 G CA 1.127 46.220 45.100 -0.010 0.000 0.769 282 G HN 0.356 nan 8.290 nan 0.000 0.547 283 V N 1.113 120.991 119.914 -0.059 0.000 2.343 283 V HA -0.181 3.939 4.120 0.001 0.000 0.247 283 V C 3.102 179.100 176.094 -0.160 0.000 1.051 283 V CA 2.186 64.448 62.300 -0.063 0.000 1.036 283 V CB -0.520 31.293 31.823 -0.017 0.000 0.654 283 V HN 0.364 nan 8.190 nan 0.000 0.451 284 S N 0.460 116.005 115.700 -0.258 0.000 2.383 284 S HA -0.149 4.322 4.470 0.001 0.000 0.229 284 S C 1.792 176.136 174.600 -0.427 0.000 1.030 284 S CA 1.733 59.739 58.200 -0.324 0.000 1.002 284 S CB -0.188 62.792 63.200 -0.367 0.000 0.829 284 S HN 0.648 nan 8.310 nan 0.000 0.467 285 V N -1.758 117.761 119.914 -0.657 0.000 3.621 285 V HA 0.619 4.739 4.120 0.001 0.000 0.285 285 V C 1.089 176.980 176.094 -0.338 0.000 1.346 285 V CA 0.378 62.300 62.300 -0.630 0.000 1.104 285 V CB -0.605 30.531 31.823 -1.145 0.000 0.913 285 V HN 0.496 nan 8.190 nan 0.000 0.432 286 G N -1.019 107.653 108.800 -0.214 0.000 2.137 286 G HA2 -0.244 3.717 3.960 0.001 0.000 0.237 286 G HA3 -0.244 3.717 3.960 0.001 0.000 0.237 286 G C -0.316 174.682 174.900 0.163 0.000 1.002 286 G CA 0.055 45.147 45.100 -0.013 0.000 0.702 286 G HN 0.501 nan 8.290 nan 0.000 0.515 287 W N 0.944 122.270 121.300 0.043 0.000 2.158 287 W HA 0.497 5.157 4.660 0.001 0.000 0.339 287 W C 0.934 177.500 176.519 0.079 0.000 1.294 287 W CA -0.555 56.848 57.345 0.097 0.000 1.231 287 W CB 0.285 29.810 29.460 0.108 0.000 1.143 287 W HN 0.271 nan 8.180 nan 0.000 0.571 288 Q N 2.160 122.162 119.800 0.336 0.000 2.230 288 Q HA 0.579 4.920 4.340 0.001 0.000 0.253 288 Q C -0.511 175.482 176.000 -0.012 0.000 0.919 288 Q CA -0.558 55.335 55.803 0.150 0.000 0.908 288 Q CB 1.818 30.675 28.738 0.198 0.000 1.245 288 Q HN 0.293 nan 8.270 nan 0.000 0.437 289 M N 1.779 121.321 119.600 -0.097 0.000 2.327 289 M HA 0.334 4.814 4.480 0.001 0.000 0.298 289 M C -1.112 175.040 176.300 -0.247 0.000 1.065 289 M CA -0.606 54.623 55.300 -0.117 0.000 0.916 289 M CB 2.176 34.795 32.600 0.032 0.000 1.630 289 M HN 0.466 nan 8.290 nan 0.000 0.442 290 H N 4.030 123.012 119.070 -0.148 0.000 2.668 290 H HA 0.471 5.028 4.556 0.001 0.000 0.303 290 H C -0.926 174.371 175.328 -0.053 0.000 1.074 290 H CA 0.133 56.110 56.048 -0.118 0.000 1.406 290 H CB 1.011 30.670 29.762 -0.173 0.000 1.442 290 H HN 0.558 nan 8.280 nan 0.000 0.482 291 I N 4.352 124.969 120.570 0.080 0.000 2.382 291 I HA 0.186 4.357 4.170 0.001 0.000 0.285 291 I C -0.080 176.089 176.117 0.086 0.000 1.007 291 I CA -0.234 61.107 61.300 0.070 0.000 1.142 291 I CB 1.101 39.127 38.000 0.044 0.000 1.289 291 I HN 0.660 nan 8.210 nan 0.000 0.453 292 E N 3.937 124.199 120.200 0.103 0.000 2.429 292 E HA 0.435 4.786 4.350 0.001 0.000 0.280 292 E C -1.902 174.788 176.600 0.150 0.000 1.068 292 E CA -0.898 55.585 56.400 0.138 0.000 0.837 292 E CB 2.022 31.846 29.700 0.206 0.000 1.357 292 E HN 0.208 nan 8.360 nan 0.000 0.455 293 D N -0.408 120.104 120.400 0.186 0.000 2.487 293 D HA 0.319 4.960 4.640 0.001 0.000 0.262 293 D C 0.882 177.356 176.300 0.289 0.000 1.130 293 D CA -0.812 53.312 54.000 0.206 0.000 1.038 293 D CB 2.163 43.075 40.800 0.186 0.000 1.142 293 D HN 0.226 nan 8.370 nan 0.000 0.575 294 V N -0.319 119.763 119.914 0.279 0.000 2.591 294 V HA 0.282 4.403 4.120 0.001 0.000 0.249 294 V C 1.243 177.573 176.094 0.393 0.000 1.053 294 V CA 1.603 64.070 62.300 0.280 0.000 1.068 294 V CB -0.456 31.566 31.823 0.332 0.000 0.689 294 V HN 0.691 nan 8.190 nan 0.000 0.462 295 G N -2.792 106.289 108.800 0.467 0.000 2.340 295 G HA2 0.585 4.545 3.960 0.001 0.000 0.299 295 G HA3 0.585 4.545 3.960 0.001 0.000 0.299 295 G C -0.317 174.809 174.900 0.376 0.000 1.291 295 G CA 0.155 45.597 45.100 0.571 0.000 0.841 295 G HN 1.009 nan 8.290 nan 0.000 0.500 296 G N -1.744 107.264 108.800 0.347 0.000 2.472 296 G HA2 0.475 4.436 3.960 0.001 0.000 0.205 296 G HA3 0.475 4.436 3.960 0.001 0.000 0.205 296 G C 0.463 175.495 174.900 0.221 0.000 1.270 296 G CA 0.573 45.834 45.100 0.268 0.000 0.974 296 G HN 2.431 nan 8.290 nan 0.000 0.542 297 T N -2.035 112.658 114.554 0.232 0.000 2.814 297 T HA 0.688 5.039 4.350 0.001 0.000 0.284 297 T C 1.890 176.696 174.700 0.177 0.000 0.998 297 T CA 0.943 63.164 62.100 0.201 0.000 0.935 297 T CB 1.214 70.215 68.868 0.221 0.000 1.167 297 T HN 2.231 nan 8.240 nan 0.000 0.545 298 A N -0.209 122.644 122.820 0.055 0.000 2.216 298 A HA 0.129 4.450 4.320 0.001 0.000 0.214 298 A C 2.025 179.619 177.584 0.016 0.000 1.160 298 A CA 0.669 52.694 52.037 -0.020 0.000 0.725 298 A CB -1.010 17.759 19.000 -0.386 0.000 0.784 298 A HN 0.728 nan 8.150 nan 0.000 0.472 299 L N -0.116 121.123 121.223 0.028 0.000 1.976 299 L HA -0.061 4.280 4.340 0.001 0.000 0.209 299 L C 2.681 179.570 176.870 0.031 0.000 1.071 299 L CA 2.364 57.191 54.840 -0.021 0.000 0.746 299 L CB -1.066 40.887 42.059 -0.178 0.000 0.890 299 L HN 0.318 nan 8.230 nan 0.000 0.432 300 A N -1.086 121.777 122.820 0.072 0.000 1.969 300 A HA -0.192 4.129 4.320 0.001 0.000 0.218 300 A C 1.954 179.602 177.584 0.105 0.000 1.169 300 A CA 1.678 53.777 52.037 0.103 0.000 0.635 300 A CB -0.788 18.301 19.000 0.148 0.000 0.810 300 A HN 0.549 nan 8.150 nan 0.000 0.445 301 D N -0.345 120.121 120.400 0.109 0.000 2.117 301 D HA -0.099 4.542 4.640 0.001 0.000 0.197 301 D C 1.982 178.328 176.300 0.076 0.000 0.987 301 D CA 1.889 55.945 54.000 0.094 0.000 0.829 301 D CB -0.619 40.268 40.800 0.145 0.000 0.961 301 D HN 0.411 nan 8.370 nan 0.000 0.460 302 T N 0.561 115.162 114.554 0.078 0.000 2.777 302 T HA -0.069 4.281 4.350 0.001 0.000 0.266 302 T C 2.031 176.832 174.700 0.168 0.000 1.040 302 T CA 1.358 63.504 62.100 0.077 0.000 1.141 302 T CB -0.259 68.663 68.868 0.090 0.000 0.868 302 T HN 0.186 nan 8.240 nan 0.000 0.444 303 A N 1.557 124.473 122.820 0.160 0.000 1.902 303 A HA 0.132 4.453 4.320 0.001 0.000 0.217 303 A C 2.632 180.273 177.584 0.095 0.000 1.181 303 A CA 1.845 53.967 52.037 0.142 0.000 0.623 303 A CB -1.085 17.957 19.000 0.069 0.000 0.818 303 A HN 0.509 nan 8.150 nan 0.000 0.443 304 A N -0.993 121.873 122.820 0.076 0.000 1.969 304 A HA 0.049 4.370 4.320 0.001 0.000 0.218 304 A C 2.110 179.724 177.584 0.050 0.000 1.169 304 A CA 1.464 53.536 52.037 0.058 0.000 0.635 304 A CB -0.484 18.560 19.000 0.074 0.000 0.810 304 A HN 0.460 nan 8.150 nan 0.000 0.445 305 L N -1.118 120.126 121.223 0.035 0.000 2.141 305 L HA -0.134 4.207 4.340 0.001 0.000 0.209 305 L C 2.459 179.310 176.870 -0.033 0.000 1.094 305 L CA 1.280 56.107 54.840 -0.022 0.000 0.763 305 L CB -0.395 41.621 42.059 -0.072 0.000 0.908 305 L HN 0.469 nan 8.230 nan 0.000 0.437 306 H N -1.412 117.691 119.070 0.055 0.000 2.387 306 H HA -0.164 4.392 4.556 0.001 0.000 0.299 306 H C 2.098 177.461 175.328 0.058 0.000 1.090 306 H CA 1.856 57.968 56.048 0.106 0.000 1.332 306 H CB 0.028 29.835 29.762 0.074 0.000 1.386 306 H HN 0.244 nan 8.280 nan 0.000 0.516 307 L N 0.766 122.051 121.223 0.103 0.000 2.072 307 L HA -0.029 4.312 4.340 0.001 0.000 0.205 307 L C 2.623 179.517 176.870 0.039 0.000 1.079 307 L CA 1.648 56.507 54.840 0.032 0.000 0.752 307 L CB -0.788 41.260 42.059 -0.019 0.000 0.906 307 L HN 0.148 nan 8.230 nan 0.000 0.436 308 A N -0.409 122.428 122.820 0.029 0.000 1.883 308 A HA -0.181 4.140 4.320 0.001 0.000 0.217 308 A C 2.437 180.018 177.584 -0.004 0.000 1.186 308 A CA 2.034 54.077 52.037 0.010 0.000 0.624 308 A CB -1.260 17.742 19.000 0.003 0.000 0.822 308 A HN 0.545 nan 8.150 nan 0.000 0.444 309 A N 0.142 122.953 122.820 -0.015 0.000 1.972 309 A HA -0.055 4.266 4.320 0.001 0.000 0.219 309 A C 2.348 179.923 177.584 -0.015 0.000 1.169 309 A CA 2.130 54.130 52.037 -0.061 0.000 0.635 309 A CB -0.863 18.049 19.000 -0.148 0.000 0.810 309 A HN 1.071 nan 8.150 nan 0.000 0.446 310 S N -0.983 114.761 115.700 0.073 0.000 2.607 310 S HA 0.055 4.526 4.470 0.001 0.000 0.224 310 S C 0.596 175.233 174.600 0.063 0.000 0.969 310 S CA 0.556 58.822 58.200 0.110 0.000 0.927 310 S CB -0.664 62.636 63.200 0.167 0.000 0.772 310 S HN 0.340 nan 8.310 nan 0.000 0.533 311 T N 4.725 119.299 114.554 0.034 0.000 2.856 311 T HA 0.417 4.768 4.350 0.001 0.000 0.292 311 T C -2.657 172.052 174.700 0.014 0.000 0.980 311 T CA -1.204 60.912 62.100 0.027 0.000 1.091 311 T CB 0.963 69.843 68.868 0.020 0.000 0.936 311 T HN 0.127 nan 8.240 nan 0.000 0.503 312 P HA 0.027 nan 4.420 nan 0.000 0.263 312 P C 0.748 178.050 177.300 0.004 0.000 1.175 312 P CA 0.120 63.226 63.100 0.011 0.000 0.761 312 P CB 0.573 32.282 31.700 0.015 0.000 0.794 313 E N 3.964 124.162 120.200 -0.003 0.000 2.110 313 E HA -0.195 4.156 4.350 0.001 0.000 0.193 313 E C 1.772 178.372 176.600 -0.000 0.000 0.988 313 E CA 1.751 58.145 56.400 -0.010 0.000 0.804 313 E CB -0.792 28.899 29.700 -0.015 0.000 0.745 313 E HN 0.416 nan 8.360 nan 0.000 0.458 314 A N 0.369 123.195 122.820 0.010 0.000 2.024 314 A HA -0.184 4.137 4.320 0.001 0.000 0.220 314 A C 1.622 179.228 177.584 0.037 0.000 1.164 314 A CA 1.792 53.843 52.037 0.023 0.000 0.643 314 A CB -0.603 18.412 19.000 0.024 0.000 0.806 314 A HN 0.439 nan 8.150 nan 0.000 0.451 315 N N -1.720 116.999 118.700 0.031 0.000 2.236 315 N HA 0.123 4.864 4.740 0.001 0.000 0.196 315 N C 0.527 176.042 175.510 0.009 0.000 1.114 315 N CA -0.046 53.031 53.050 0.046 0.000 0.859 315 N CB 0.357 38.878 38.487 0.057 0.000 0.982 315 N HN 0.413 nan 8.380 nan 0.000 0.493 316 R N 1.366 121.855 120.500 -0.019 0.000 2.295 316 R HA 0.401 4.742 4.340 0.001 0.000 0.324 316 R C -0.827 175.406 176.300 -0.111 0.000 0.968 316 R CA -0.318 55.746 56.100 -0.061 0.000 0.837 316 R CB 0.558 30.833 30.300 -0.041 0.000 1.133 316 R HN 0.014 nan 8.270 nan 0.000 0.450 317 L N 2.204 123.288 121.223 -0.232 0.000 2.687 317 L HA 0.631 4.972 4.340 0.001 0.000 0.252 317 L C 0.323 177.071 176.870 -0.203 0.000 1.115 317 L CA -1.288 53.358 54.840 -0.322 0.000 0.893 317 L CB 0.799 42.402 42.059 -0.759 0.000 1.670 317 L HN 0.671 nan 8.230 nan 0.000 0.531 318 A N 0.068 122.831 122.820 -0.095 0.000 2.425 318 A HA 0.442 4.763 4.320 0.001 0.000 0.249 318 A C -0.071 177.620 177.584 0.178 0.000 1.084 318 A CA -0.094 51.979 52.037 0.060 0.000 0.781 318 A CB 0.199 19.244 19.000 0.075 0.000 1.019 318 A HN 0.558 nan 8.150 nan 0.000 0.490 319 S N -0.053 115.713 115.700 0.110 0.000 2.646 319 S HA 0.474 4.945 4.470 0.001 0.000 0.276 319 S C -0.765 173.935 174.600 0.167 0.000 1.222 319 S CA -0.156 58.123 58.200 0.131 0.000 1.014 319 S CB 0.738 63.979 63.200 0.068 0.000 0.991 319 S HN 0.721 nan 8.310 nan 0.000 0.533 320 W N 3.015 124.286 121.300 -0.049 0.000 2.529 320 W HA 0.595 5.256 4.660 0.001 0.000 0.321 320 W C -1.824 174.651 176.519 -0.073 0.000 1.047 320 W CA -0.701 56.592 57.345 -0.086 0.000 1.216 320 W CB 0.542 29.900 29.460 -0.169 0.000 1.357 320 W HN 0.417 nan 8.180 nan 0.000 0.489 321 L N 7.013 127.809 121.223 -0.712 0.000 2.265 321 L HA 0.338 4.679 4.340 0.001 0.000 0.289 321 L C 1.338 177.397 176.870 -1.352 0.000 1.033 321 L CA -0.288 54.072 54.840 -0.800 0.000 0.814 321 L CB 1.309 42.979 42.059 -0.649 0.000 1.203 321 L HN 0.942 nan 8.230 nan 0.000 0.423 322 G N 1.838 109.946 108.800 -1.154 0.000 2.408 322 G HA2 -0.232 3.728 3.960 0.001 0.000 0.217 322 G HA3 -0.232 3.728 3.960 0.001 0.000 0.217 322 G C 1.395 176.087 174.900 -0.346 0.000 1.150 322 G CA 0.606 45.108 45.100 -0.996 0.000 0.776 322 G HN 0.900 nan 8.290 nan 0.000 0.542 323 H N 0.077 119.047 119.070 -0.167 0.000 2.489 323 H HA 0.205 4.761 4.556 0.001 0.000 0.293 323 H C 2.403 177.717 175.328 -0.024 0.000 1.066 323 H CA 0.908 56.931 56.048 -0.042 0.000 1.305 323 H CB -0.392 29.349 29.762 -0.035 0.000 1.386 323 H HN 0.298 nan 8.280 nan 0.000 0.551 324 A N 1.669 124.284 122.820 -0.341 0.000 2.178 324 A HA -0.157 4.163 4.320 0.001 0.000 0.218 324 A C 1.620 179.140 177.584 -0.107 0.000 1.157 324 A CA 1.045 52.975 52.037 -0.178 0.000 0.689 324 A CB -0.764 18.073 19.000 -0.271 0.000 0.787 324 A HN 0.622 nan 8.150 nan 0.000 0.465 325 H N -1.455 117.600 119.070 -0.025 0.000 2.586 325 H HA 0.308 4.865 4.556 0.001 0.000 0.273 325 H C -0.203 175.176 175.328 0.085 0.000 0.997 325 H CA -0.145 55.962 56.048 0.098 0.000 1.177 325 H CB 0.259 30.186 29.762 0.275 0.000 1.471 325 H HN 0.338 nan 8.280 nan 0.000 0.538 326 L N 0.027 121.339 121.223 0.147 0.000 2.343 326 L HA 0.330 4.671 4.340 0.001 0.000 0.275 326 L C 1.387 178.281 176.870 0.040 0.000 1.056 326 L CA -0.453 54.437 54.840 0.084 0.000 0.804 326 L CB 1.468 43.578 42.059 0.085 0.000 1.203 326 L HN -0.004 nan 8.230 nan 0.000 0.440 327 A N 0.930 123.756 122.820 0.010 0.000 1.898 327 A HA -0.030 4.290 4.320 0.001 0.000 0.214 327 A C 0.765 178.343 177.584 -0.010 0.000 1.183 327 A CA 0.820 52.854 52.037 -0.005 0.000 0.622 327 A CB -0.132 18.857 19.000 -0.019 0.000 0.824 327 A HN 0.740 nan 8.150 nan 0.000 0.444 328 D N 0.143 120.533 120.400 -0.016 0.000 2.283 328 D HA 0.387 5.028 4.640 0.001 0.000 0.248 328 D C -1.377 174.908 176.300 -0.024 0.000 1.072 328 D CA 0.016 53.999 54.000 -0.029 0.000 0.929 328 D CB 1.136 41.908 40.800 -0.048 0.000 1.182 328 D HN 0.145 nan 8.370 nan 0.000 0.433 329 D N 1.315 121.690 120.400 -0.041 0.000 2.620 329 D HA 0.265 4.905 4.640 0.001 0.000 0.252 329 D C -1.890 174.363 176.300 -0.078 0.000 1.207 329 D CA -1.614 52.354 54.000 -0.053 0.000 0.884 329 D CB 2.039 42.804 40.800 -0.057 0.000 1.262 329 D HN 0.001 nan 8.370 nan 0.000 0.552 330 P HA 0.180 nan 4.420 nan 0.000 0.235 330 P C 0.485 177.711 177.300 -0.124 0.000 1.177 330 P CA 0.389 63.404 63.100 -0.142 0.000 0.785 330 P CB 0.050 31.606 31.700 -0.240 0.000 0.885 331 I N -3.973 116.541 120.570 -0.093 0.000 2.925 331 I HA 0.479 4.649 4.170 0.001 0.000 0.296 331 I C -3.023 173.032 176.117 -0.104 0.000 1.413 331 I CA -2.821 58.419 61.300 -0.101 0.000 0.932 331 I CB 1.221 39.171 38.000 -0.083 0.000 1.873 331 I HN -0.328 nan 8.210 nan 0.000 0.619 332 P HA 0.267 nan 4.420 nan 0.000 0.271 332 P C 1.120 178.371 177.300 -0.080 0.000 1.216 332 P CA 0.550 63.599 63.100 -0.085 0.000 0.776 332 P CB 1.095 32.754 31.700 -0.068 0.000 0.881 333 G N 0.859 109.611 108.800 -0.080 0.000 2.153 333 G HA2 -0.252 3.709 3.960 0.001 0.000 0.252 333 G HA3 -0.252 3.709 3.960 0.001 0.000 0.252 333 G C -0.061 174.797 174.900 -0.070 0.000 0.994 333 G CA -0.119 44.940 45.100 -0.068 0.000 0.698 333 G HN 0.602 nan 8.290 nan 0.000 0.521 334 Q N -0.905 118.840 119.800 -0.092 0.000 2.377 334 Q HA 0.579 4.919 4.340 0.001 0.000 0.271 334 Q C 0.690 176.633 176.000 -0.095 0.000 1.077 334 Q CA -0.127 55.626 55.803 -0.083 0.000 0.820 334 Q CB 2.213 30.897 28.738 -0.090 0.000 1.347 334 Q HN 1.485 nan 8.270 nan 0.000 0.444 335 G N 1.065 109.831 108.800 -0.056 0.000 2.593 335 G HA2 -0.156 3.805 3.960 0.001 0.000 0.237 335 G HA3 -0.156 3.805 3.960 0.001 0.000 0.237 335 G C -0.820 174.053 174.900 -0.046 0.000 1.312 335 G CA -0.401 44.675 45.100 -0.041 0.000 0.896 335 G HN 0.841 nan 8.290 nan 0.000 0.574 336 A N 0.441 123.240 122.820 -0.034 0.000 2.260 336 A HA 0.782 5.103 4.320 0.001 0.000 0.308 336 A C 0.521 178.127 177.584 0.037 0.000 1.254 336 A CA -0.107 51.919 52.037 -0.017 0.000 0.874 336 A CB 0.564 19.547 19.000 -0.028 0.000 1.153 336 A HN 0.749 nan 8.150 nan 0.000 0.527 337 R N 2.022 122.535 120.500 0.021 0.000 2.854 337 R HA 0.339 4.680 4.340 0.001 0.000 0.271 337 R C -0.654 175.667 176.300 0.035 0.000 0.996 337 R CA -0.986 55.156 56.100 0.071 0.000 0.961 337 R CB 1.076 31.380 30.300 0.007 0.000 1.182 337 R HN 0.829 nan 8.270 nan 0.000 0.479 338 N N 2.138 120.862 118.700 0.041 0.000 2.452 338 N HA 0.006 4.747 4.740 0.001 0.000 0.266 338 N C -0.777 174.699 175.510 -0.057 0.000 1.209 338 N CA 0.410 53.439 53.050 -0.034 0.000 0.929 338 N CB 0.585 39.035 38.487 -0.062 0.000 1.063 338 N HN 0.205 nan 8.380 nan 0.000 0.472 339 R N 3.064 123.518 120.500 -0.077 0.000 2.407 339 R HA 0.118 4.458 4.340 0.001 0.000 0.298 339 R C -0.535 175.703 176.300 -0.103 0.000 1.166 339 R CA -0.432 55.621 56.100 -0.079 0.000 1.006 339 R CB 0.315 30.578 30.300 -0.061 0.000 1.145 339 R HN 0.681 nan 8.270 nan 0.000 0.538 340 D N 1.692 122.015 120.400 -0.128 0.000 2.837 340 D HA -0.179 4.462 4.640 0.001 0.000 0.230 340 D C 0.658 176.846 176.300 -0.188 0.000 1.152 340 D CA 1.758 55.672 54.000 -0.144 0.000 0.736 340 D CB -0.393 40.350 40.800 -0.095 0.000 1.084 340 D HN 1.045 nan 8.370 nan 0.000 0.429 341 G N -0.886 107.756 108.800 -0.264 0.000 2.136 341 G HA2 -0.284 3.677 3.960 0.001 0.000 0.242 341 G HA3 -0.284 3.677 3.960 0.001 0.000 0.242 341 G C 0.213 175.033 174.900 -0.132 0.000 0.989 341 G CA 0.627 45.565 45.100 -0.271 0.000 0.682 341 G HN 0.477 nan 8.290 nan 0.000 0.522 342 L N -0.533 120.623 121.223 -0.111 0.000 2.354 342 L HA 0.899 5.240 4.340 0.001 0.000 0.264 342 L C 0.204 177.032 176.870 -0.071 0.000 1.008 342 L CA -0.729 54.062 54.840 -0.080 0.000 0.819 342 L CB 2.376 44.387 42.059 -0.080 0.000 1.339 342 L HN 0.382 nan 8.230 nan 0.000 0.420 343 A N 0.728 123.510 122.820 -0.063 0.000 2.359 343 A HA 0.785 5.106 4.320 0.001 0.000 0.303 343 A C -0.658 176.874 177.584 -0.086 0.000 1.066 343 A CA -0.448 51.553 52.037 -0.060 0.000 0.730 343 A CB 1.462 20.439 19.000 -0.038 0.000 1.211 343 A HN 0.591 nan 8.150 nan 0.000 0.439 344 T N 5.217 119.716 114.554 -0.093 0.000 2.795 344 T HA 0.607 4.958 4.350 0.001 0.000 0.282 344 T C -2.507 172.113 174.700 -0.133 0.000 0.980 344 T CA -0.959 61.063 62.100 -0.129 0.000 1.012 344 T CB 1.230 70.031 68.868 -0.112 0.000 0.936 344 T HN 0.576 nan 8.240 nan 0.000 0.457 345 P HA 0.272 nan 4.420 nan 0.000 0.274 345 P C -2.603 174.669 177.300 -0.047 0.000 1.231 345 P CA -1.624 61.335 63.100 -0.236 0.000 0.790 345 P CB -0.262 31.158 31.700 -0.467 0.000 0.951 346 P HA 0.064 nan 4.420 nan 0.000 0.270 346 P C 0.108 177.657 177.300 0.416 0.000 1.223 346 P CA 0.054 63.268 63.100 0.190 0.000 0.785 346 P CB 0.338 32.140 31.700 0.170 0.000 0.923 347 S N -0.950 114.952 115.700 0.337 0.000 2.730 347 S HA 0.315 4.786 4.470 0.001 0.000 0.244 347 S C 0.656 175.354 174.600 0.163 0.000 1.022 347 S CA -0.340 58.090 58.200 0.384 0.000 1.014 347 S CB 0.080 63.539 63.200 0.431 0.000 0.963 347 S HN 0.703 nan 8.310 nan 0.000 0.540 348 A N 3.121 126.017 122.820 0.127 0.000 2.466 348 A HA 0.460 4.781 4.320 0.001 0.000 0.238 348 A C -2.507 175.087 177.584 0.016 0.000 1.074 348 A CA -0.949 51.126 52.037 0.062 0.000 0.774 348 A CB -0.448 18.590 19.000 0.062 0.000 1.015 348 A HN 0.113 nan 8.150 nan 0.000 0.498 349 P HA 0.284 nan 4.420 nan 0.000 0.265 349 P C 1.020 178.302 177.300 -0.030 0.000 1.187 349 P CA 1.939 65.015 63.100 -0.040 0.000 0.766 349 P CB 0.309 31.996 31.700 -0.022 0.000 0.820 350 G N 1.688 110.452 108.800 -0.060 0.000 2.528 350 G HA2 -0.322 3.638 3.960 0.001 0.000 0.262 350 G HA3 -0.322 3.638 3.960 0.001 0.000 0.262 350 G C 0.748 175.585 174.900 -0.104 0.000 1.200 350 G CA 0.103 45.177 45.100 -0.044 0.000 0.951 350 G HN 0.516 nan 8.290 nan 0.000 0.566 351 L N 1.266 122.467 121.223 -0.036 0.000 2.093 351 L HA 0.285 4.626 4.340 0.001 0.000 0.208 351 L C 2.483 179.424 176.870 0.118 0.000 1.085 351 L CA 1.952 56.782 54.840 -0.017 0.000 0.755 351 L CB -0.584 41.511 42.059 0.060 0.000 0.904 351 L HN 2.297 nan 8.230 nan 0.000 0.435 352 G N -0.048 108.804 108.800 0.087 0.000 2.137 352 G HA2 -0.233 3.728 3.960 0.001 0.000 0.237 352 G HA3 -0.233 3.728 3.960 0.001 0.000 0.237 352 G C -0.148 174.788 174.900 0.061 0.000 1.002 352 G CA 0.279 45.438 45.100 0.098 0.000 0.702 352 G HN 0.362 nan 8.290 nan 0.000 0.515 353 V N -0.046 119.885 119.914 0.029 0.000 2.569 353 V HA 0.791 4.912 4.120 0.001 0.000 0.301 353 V C -0.628 175.397 176.094 -0.115 0.000 1.044 353 V CA -1.231 61.042 62.300 -0.044 0.000 0.874 353 V CB 1.528 33.316 31.823 -0.058 0.000 1.002 353 V HN 0.430 nan 8.190 nan 0.000 0.424 354 I N 8.544 129.016 120.570 -0.163 0.000 2.390 354 I HA 0.481 4.652 4.170 0.001 0.000 0.283 354 I C -2.326 173.541 176.117 -0.417 0.000 1.016 354 I CA -1.877 59.262 61.300 -0.268 0.000 1.151 354 I CB 1.801 39.754 38.000 -0.078 0.000 1.293 354 I HN 0.475 nan 8.210 nan 0.000 0.458 355 P HA 0.008 nan 4.420 nan 0.000 0.268 355 P C -0.654 176.351 177.300 -0.491 0.000 1.205 355 P CA -0.153 62.509 63.100 -0.730 0.000 0.771 355 P CB 0.587 31.547 31.700 -1.232 0.000 0.858 356 D N 3.170 123.399 120.400 -0.285 0.000 2.295 356 D HA 0.115 4.756 4.640 0.001 0.000 0.248 356 D C -1.546 174.660 176.300 -0.157 0.000 1.154 356 D CA -1.954 51.957 54.000 -0.148 0.000 0.857 356 D CB 0.969 41.712 40.800 -0.095 0.000 1.117 356 D HN 0.122 nan 8.370 nan 0.000 0.468 357 P HA -0.079 nan 4.420 nan 0.000 0.225 357 P C 0.867 178.187 177.300 0.033 0.000 1.148 357 P CA 0.745 63.839 63.100 -0.010 0.000 0.779 357 P CB 0.447 32.284 31.700 0.228 0.000 0.780 358 E N -0.225 119.986 120.200 0.018 0.000 2.152 358 E HA -0.067 4.284 4.350 0.001 0.000 0.192 358 E C 1.949 178.539 176.600 -0.017 0.000 0.983 358 E CA 1.181 57.592 56.400 0.019 0.000 0.818 358 E CB -0.562 29.146 29.700 0.013 0.000 0.758 358 E HN 0.234 nan 8.360 nan 0.000 0.467 359 A N 0.969 123.751 122.820 -0.063 0.000 2.066 359 A HA -0.018 4.303 4.320 0.001 0.000 0.218 359 A C 2.215 179.732 177.584 -0.111 0.000 1.157 359 A CA 0.590 52.574 52.037 -0.089 0.000 0.670 359 A CB -0.317 18.614 19.000 -0.116 0.000 0.804 359 A HN 0.108 nan 8.150 nan 0.000 0.453 360 L N -1.782 119.364 121.223 -0.129 0.000 2.168 360 L HA 0.353 4.693 4.340 0.001 0.000 0.203 360 L C 1.480 178.356 176.870 0.011 0.000 1.078 360 L CA 0.639 55.395 54.840 -0.140 0.000 0.780 360 L CB -0.690 41.189 42.059 -0.299 0.000 0.939 360 L HN 0.585 nan 8.230 nan 0.000 0.451 361 G N -0.038 108.817 108.800 0.093 0.000 2.396 361 G HA2 -0.155 3.806 3.960 0.001 0.000 0.254 361 G HA3 -0.155 3.806 3.960 0.001 0.000 0.254 361 G C -0.827 174.218 174.900 0.241 0.000 1.248 361 G CA -0.771 44.407 45.100 0.130 0.000 1.033 361 G HN 0.059 nan 8.290 nan 0.000 0.502 362 R N 0.972 121.562 120.500 0.150 0.000 2.298 362 R HA 0.464 4.805 4.340 0.001 0.000 0.310 362 R C -2.064 174.256 176.300 0.033 0.000 1.068 362 R CA -1.284 54.875 56.100 0.098 0.000 0.957 362 R CB 0.461 30.787 30.300 0.044 0.000 1.003 362 R HN 0.312 nan 8.270 nan 0.000 0.454 363 P HA -0.092 nan 4.420 nan 0.000 0.264 363 P C 0.724 177.895 177.300 -0.215 0.000 1.193 363 P CA 0.023 62.861 63.100 -0.436 0.000 0.763 363 P CB 0.676 32.034 31.700 -0.570 0.000 0.810 364 V N 0.789 120.610 119.914 -0.154 0.000 2.951 364 V HA 0.350 4.471 4.120 0.001 0.000 0.255 364 V C 0.653 176.670 176.094 -0.129 0.000 1.088 364 V CA 1.192 63.447 62.300 -0.075 0.000 1.109 364 V CB -0.998 30.836 31.823 0.017 0.000 0.724 364 V HN 0.578 nan 8.190 nan 0.000 0.471 365 A N -0.842 121.854 122.820 -0.207 0.000 2.594 365 A HA 0.804 5.125 4.320 0.001 0.000 0.295 365 A C -0.664 176.646 177.584 -0.457 0.000 1.071 365 A CA 0.152 51.988 52.037 -0.335 0.000 0.685 365 A CB 1.819 20.668 19.000 -0.252 0.000 1.285 365 A HN 0.473 nan 8.150 nan 0.000 0.405 366 S N -0.245 115.047 115.700 -0.680 0.000 2.536 366 S HA 0.786 5.257 4.470 0.001 0.000 0.271 366 S C -2.069 172.105 174.600 -0.710 0.000 1.134 366 S CA -0.299 57.584 58.200 -0.528 0.000 0.897 366 S CB 0.793 63.814 63.200 -0.299 0.000 1.094 366 S HN 0.707 nan 8.310 nan 0.000 0.473 367 Y N 1.687 121.942 120.300 -0.076 0.000 2.406 367 Y HA 0.588 5.139 4.550 0.001 0.000 0.340 367 Y C -0.345 175.516 175.900 -0.065 0.000 0.975 367 Y CA -0.781 57.278 58.100 -0.068 0.000 1.056 367 Y CB 1.943 40.363 38.460 -0.067 0.000 1.210 367 Y HN 0.590 nan 8.280 nan 0.000 0.448 368 D N 0.645 121.083 120.400 0.064 0.000 2.552 368 D HA 0.422 5.063 4.640 0.001 0.000 0.239 368 D C -1.336 174.962 176.300 -0.002 0.000 1.139 368 D CA -0.982 53.023 54.000 0.009 0.000 0.914 368 D CB 1.586 42.369 40.800 -0.027 0.000 1.461 368 D HN 0.510 nan 8.370 nan 0.000 0.462 369 E N -0.353 119.839 120.200 -0.013 0.000 2.301 369 E HA 0.614 4.965 4.350 0.001 0.000 0.275 369 E C -0.048 176.534 176.600 -0.031 0.000 1.030 369 E CA -0.996 55.392 56.400 -0.020 0.000 0.852 369 E CB 1.103 30.795 29.700 -0.014 0.000 1.060 369 E HN 0.373 nan 8.360 nan 0.000 0.401 370 G N 0.923 109.700 108.800 -0.038 0.000 2.482 370 G HA2 0.253 4.214 3.960 0.001 0.000 0.317 370 G HA3 0.253 4.214 3.960 0.001 0.000 0.317 370 G C -1.196 173.694 174.900 -0.016 0.000 1.241 370 G CA -0.654 44.411 45.100 -0.058 0.000 0.967 370 G HN 0.564 nan 8.290 nan 0.000 0.482 371 H N 0.473 119.479 119.070 -0.106 0.000 2.615 371 H HA 0.067 4.624 4.556 0.001 0.000 0.363 371 H C 1.156 176.420 175.328 -0.107 0.000 1.148 371 H CA 0.096 56.067 56.048 -0.128 0.000 1.401 371 H CB 1.031 30.712 29.762 -0.135 0.000 1.461 371 H HN 0.804 nan 8.280 nan 0.000 0.588 372 H N 2.886 121.733 119.070 -0.371 0.000 2.470 372 H HA -0.055 4.502 4.556 0.001 0.000 0.289 372 H C 0.571 175.867 175.328 -0.053 0.000 1.033 372 H CA 0.788 56.687 56.048 -0.248 0.000 1.331 372 H CB 0.050 29.554 29.762 -0.429 0.000 1.414 372 H HN 0.702 nan 8.280 nan 0.000 0.545 373 H N -0.393 118.682 119.070 0.008 0.000 2.529 373 H HA 0.079 4.636 4.556 0.001 0.000 0.277 373 H C -0.130 175.299 175.328 0.167 0.000 1.004 373 H CA -0.359 55.791 56.048 0.170 0.000 1.167 373 H CB 0.236 30.110 29.762 0.187 0.000 1.445 373 H HN 0.332 nan 8.280 nan 0.000 0.554 374 H N 0.624 119.812 119.070 0.196 0.000 2.815 374 H HA 0.039 4.596 4.556 0.001 0.000 0.350 374 H C -0.311 175.077 175.328 0.099 0.000 1.080 374 H CA 0.366 56.481 56.048 0.112 0.000 1.433 374 H CB 0.245 30.042 29.762 0.058 0.000 1.432 374 H HN 0.309 nan 8.280 nan 0.000 0.592 375 H N 3.906 122.688 119.070 -0.480 0.000 2.768 375 H HA 0.202 4.759 4.556 0.001 0.000 0.371 375 H C -0.231 174.903 175.328 -0.324 0.000 1.151 375 H CA -0.968 54.906 56.048 -0.291 0.000 1.165 375 H CB 0.847 30.514 29.762 -0.159 0.000 1.722 375 H HN 0.737 nan 8.280 nan 0.000 0.543 376 H N 0.000 118.830 119.070 -0.400 0.000 2.539 376 H HA 0.000 4.557 4.556 0.001 0.000 0.296 376 H CA 0.000 55.937 56.048 -0.185 0.000 1.023 376 H CB 0.000 29.662 29.762 -0.166 0.000 1.292 376 H HN 0.000 nan 8.280 nan 0.000 0.496