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 2h96_1_B DATA FIRST_RESID 7 DATA SEQUENCE DNNFYSVEIG DSTFTVLKRY QNLKPIGSGA QGIVCAAYDA ILERNVAIKK DATA SEQUENCE LSRPFQNQTH AKRAYRELVL MKCVNHKNII GLLNVFTPQK SLEEFQDVYI DATA SEQUENCE VMELMDANLC QVIQMELDHE RMSYLLYQML CGIKHLHSAG IIHRDLKPSN DATA SEQUENCE IVVKSDCTLK ILDFGLARTA GTSFMMEPEV VTRYYRAPEV ILGMGYKENV DATA SEQUENCE DLWSVGCIMG EMVCHKILFP GRDYIDQWNK VIEQLGTPCP EFMKKLQPTV DATA SEQUENCE RTYVENRPKY AGYSFEKLFP DVLFPADSEH NKLKASQARD LLSKMLVIDA DATA SEQUENCE SKRISVDEAL QHPYINVWYD PSEAEAPPPK IPDKQLDERE HTIEEWKELI DATA SEQUENCE YKEVMDLE 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.367 176.300 0.111 0.000 2.045 7 D CA 0.000 54.057 54.000 0.096 0.000 0.868 7 D CB 0.000 40.838 40.800 0.064 0.000 0.688 8 N N -0.338 118.454 118.700 0.153 0.000 2.062 8 N HA -0.083 4.657 4.740 0.001 0.000 0.221 8 N C 0.646 176.256 175.510 0.166 0.000 1.230 8 N CA 0.251 53.406 53.050 0.176 0.000 0.958 8 N CB -0.205 38.429 38.487 0.245 0.000 1.021 8 N HN 0.063 nan 8.380 nan 0.000 0.400 9 N N -1.266 117.553 118.700 0.199 0.000 2.236 9 N HA 0.175 4.916 4.740 0.001 0.000 0.196 9 N C -0.387 174.989 175.510 -0.224 0.000 1.114 9 N CA -0.145 52.850 53.050 -0.092 0.000 0.859 9 N CB 0.211 38.511 38.487 -0.311 0.000 0.982 9 N HN 0.140 nan 8.380 nan 0.000 0.493 10 F N 0.533 120.497 119.950 0.024 0.000 2.476 10 F HA 0.484 5.011 4.527 0.001 0.000 0.358 10 F C -0.186 175.756 175.800 0.235 0.000 1.091 10 F CA -1.060 56.957 58.000 0.028 0.000 1.131 10 F CB 0.014 38.977 39.000 -0.061 0.000 1.653 10 F HN -0.076 nan 8.300 nan 0.000 0.518 11 Y N -2.616 117.829 120.300 0.242 0.000 2.705 11 Y HA 0.388 4.939 4.550 0.001 0.000 0.367 11 Y C -1.230 174.764 175.900 0.157 0.000 1.211 11 Y CA -1.526 56.664 58.100 0.150 0.000 1.375 11 Y CB 0.008 38.525 38.460 0.095 0.000 1.404 11 Y HN 0.522 nan 8.280 nan 0.000 0.514 12 S N 1.569 117.414 115.700 0.241 0.000 2.554 12 S HA 0.803 5.273 4.470 0.001 0.000 0.278 12 S C -0.840 173.892 174.600 0.220 0.000 1.242 12 S CA 0.087 58.384 58.200 0.162 0.000 1.051 12 S CB 0.957 64.249 63.200 0.153 0.000 0.986 12 S HN 1.763 nan 8.310 nan 0.000 0.502 13 V N 2.992 123.005 119.914 0.165 0.000 2.595 13 V HA 0.462 4.582 4.120 0.001 0.000 0.269 13 V C -0.134 176.021 176.094 0.101 0.000 0.982 13 V CA -0.914 61.479 62.300 0.154 0.000 0.873 13 V CB 0.956 32.875 31.823 0.159 0.000 1.051 13 V HN 0.996 nan 8.190 nan 0.000 0.466 14 E N 5.304 125.562 120.200 0.097 0.000 3.072 14 E HA -0.121 4.229 4.350 0.001 0.000 0.241 14 E C -0.720 175.892 176.600 0.020 0.000 0.962 14 E CA 0.170 56.616 56.400 0.076 0.000 0.955 14 E CB 0.584 30.323 29.700 0.064 0.000 0.899 14 E HN 0.654 nan 8.360 nan 0.000 0.547 15 I N 6.012 126.581 120.570 -0.001 0.000 2.316 15 I HA 0.139 4.309 4.170 0.001 0.000 0.286 15 I C 1.514 177.621 176.117 -0.017 0.000 1.107 15 I CA 0.776 62.016 61.300 -0.101 0.000 1.219 15 I CB -0.453 37.347 38.000 -0.334 0.000 1.455 15 I HN 0.945 nan 8.210 nan 0.000 0.498 16 G N 6.673 115.469 108.800 -0.006 0.000 2.690 16 G HA2 -0.389 3.571 3.960 0.001 0.000 0.334 16 G HA3 -0.389 3.571 3.960 0.001 0.000 0.334 16 G C 1.009 175.929 174.900 0.033 0.000 1.250 16 G CA 0.744 45.851 45.100 0.012 0.000 0.994 16 G HN 0.481 nan 8.290 nan 0.000 0.549 17 D N 0.818 121.240 120.400 0.037 0.000 2.605 17 D HA -0.198 4.443 4.640 0.001 0.000 0.219 17 D C 2.466 178.803 176.300 0.063 0.000 1.132 17 D CA 2.785 56.813 54.000 0.047 0.000 0.968 17 D CB -0.942 39.888 40.800 0.049 0.000 1.330 17 D HN 0.816 nan 8.370 nan 0.000 0.512 18 S N -0.568 115.186 115.700 0.091 0.000 2.218 18 S HA 0.334 4.804 4.470 0.001 0.000 0.225 18 S C 0.205 174.893 174.600 0.147 0.000 1.243 18 S CA -0.287 57.980 58.200 0.111 0.000 1.057 18 S CB 0.990 64.264 63.200 0.123 0.000 0.985 18 S HN 0.320 nan 8.310 nan 0.000 0.434 19 T N 0.476 115.156 114.554 0.211 0.000 3.041 19 T HA 0.589 4.939 4.350 0.001 0.000 0.321 19 T C -1.337 173.613 174.700 0.416 0.000 1.184 19 T CA -0.459 61.794 62.100 0.256 0.000 1.050 19 T CB 0.834 69.803 68.868 0.168 0.000 1.159 19 T HN 0.362 nan 8.240 nan 0.000 0.469 20 F N 1.383 121.399 119.950 0.110 0.000 2.377 20 F HA 0.793 5.320 4.527 0.001 0.000 0.335 20 F C 1.005 176.861 175.800 0.093 0.000 1.099 20 F CA -0.893 57.205 58.000 0.164 0.000 1.072 20 F CB 1.461 40.527 39.000 0.110 0.000 1.417 20 F HN 0.490 nan 8.300 nan 0.000 0.495 21 T N 1.103 115.769 114.554 0.188 0.000 4.307 21 T HA 0.460 4.810 4.350 0.001 0.000 0.339 21 T C -1.461 173.181 174.700 -0.096 0.000 0.801 21 T CA -0.611 61.511 62.100 0.037 0.000 0.962 21 T CB 0.424 69.358 68.868 0.110 0.000 1.110 21 T HN 0.547 nan 8.240 nan 0.000 0.466 22 V N 1.402 121.172 119.914 -0.239 0.000 3.074 22 V HA 0.780 4.901 4.120 0.001 0.000 0.314 22 V C 0.004 175.840 176.094 -0.429 0.000 1.117 22 V CA -1.447 60.693 62.300 -0.267 0.000 1.014 22 V CB 1.478 33.254 31.823 -0.078 0.000 1.057 22 V HN 0.730 nan 8.190 nan 0.000 0.438 23 L N 1.683 122.420 121.223 -0.810 0.000 2.506 23 L HA 0.217 4.557 4.340 0.001 0.000 0.281 23 L C 1.764 178.516 176.870 -0.196 0.000 1.228 23 L CA 0.028 54.388 54.840 -0.800 0.000 0.850 23 L CB 0.180 41.737 42.059 -0.837 0.000 1.110 23 L HN 0.812 nan 8.230 nan 0.000 0.496 24 K N 1.814 122.174 120.400 -0.067 0.000 2.103 24 K HA -0.202 4.118 4.320 0.001 0.000 0.207 24 K C 1.811 178.416 176.600 0.008 0.000 1.048 24 K CA 1.689 58.079 56.287 0.171 0.000 0.930 24 K CB -0.221 32.287 32.500 0.013 0.000 0.716 24 K HN 0.556 nan 8.250 nan 0.000 0.444 25 R N 0.288 120.634 120.500 -0.257 0.000 2.388 25 R HA -0.155 4.185 4.340 0.001 0.000 0.233 25 R C -0.290 175.674 176.300 -0.560 0.000 1.156 25 R CA 1.054 56.881 56.100 -0.455 0.000 1.036 25 R CB -0.505 29.399 30.300 -0.660 0.000 0.847 25 R HN 0.135 nan 8.270 nan 0.000 0.483 26 Y N 0.661 120.987 120.300 0.042 0.000 2.345 26 Y HA 0.431 4.981 4.550 0.001 0.000 0.331 26 Y C -0.036 175.989 175.900 0.209 0.000 0.959 26 Y CA -1.050 57.100 58.100 0.083 0.000 1.204 26 Y CB 1.713 40.217 38.460 0.073 0.000 1.135 26 Y HN -0.027 nan 8.280 nan 0.000 0.477 27 Q N 0.971 120.967 119.800 0.328 0.000 2.458 27 Q HA 0.508 4.848 4.340 0.001 0.000 0.282 27 Q C -0.534 175.619 176.000 0.256 0.000 1.106 27 Q CA -0.790 55.200 55.803 0.312 0.000 0.814 27 Q CB 1.395 30.263 28.738 0.217 0.000 1.425 27 Q HN 0.634 nan 8.270 nan 0.000 0.437 28 N N -0.096 118.719 118.700 0.192 0.000 2.862 28 N HA -0.138 4.603 4.740 0.001 0.000 0.248 28 N C -1.273 174.297 175.510 0.099 0.000 1.116 28 N CA 0.152 53.277 53.050 0.126 0.000 0.727 28 N CB -0.750 37.810 38.487 0.123 0.000 1.083 28 N HN 0.396 nan 8.380 nan 0.000 0.555 29 L N 1.047 122.330 121.223 0.099 0.000 2.791 29 L HA -0.042 4.298 4.340 0.001 0.000 0.276 29 L C 1.006 177.840 176.870 -0.060 0.000 1.136 29 L CA 1.333 56.177 54.840 0.007 0.000 1.008 29 L CB -0.837 41.197 42.059 -0.041 0.000 1.348 29 L HN 0.257 nan 8.230 nan 0.000 0.476 30 K N 5.525 125.893 120.400 -0.053 0.000 2.358 30 K HA 0.530 4.851 4.320 0.001 0.000 0.260 30 K C -2.786 173.763 176.600 -0.085 0.000 0.956 30 K CA -1.889 54.361 56.287 -0.061 0.000 0.834 30 K CB 2.271 34.759 32.500 -0.019 0.000 1.102 30 K HN 0.154 nan 8.250 nan 0.000 0.431 31 P HA -0.001 nan 4.420 nan 0.000 0.265 31 P C 0.525 177.800 177.300 -0.042 0.000 1.222 31 P CA -0.106 62.935 63.100 -0.098 0.000 0.767 31 P CB 0.396 32.036 31.700 -0.100 0.000 0.801 32 I N 1.003 121.559 120.570 -0.023 0.000 3.968 32 I HA 0.461 4.632 4.170 0.001 0.000 0.328 32 I C 0.549 176.665 176.117 -0.002 0.000 1.290 32 I CA -0.131 61.164 61.300 -0.009 0.000 1.163 32 I CB 0.447 38.444 38.000 -0.004 0.000 1.024 32 I HN 0.265 nan 8.210 nan 0.000 0.413 33 G N 0.064 108.867 108.800 0.004 0.000 2.677 33 G HA2 0.474 4.434 3.960 0.001 0.000 0.291 33 G HA3 0.474 4.434 3.960 0.001 0.000 0.291 33 G C -1.095 173.818 174.900 0.022 0.000 1.435 33 G CA -0.236 44.870 45.100 0.011 0.000 0.826 33 G HN -0.069 nan 8.290 nan 0.000 0.491 34 S N -0.296 115.417 115.700 0.022 0.000 2.680 34 S HA 0.511 4.981 4.470 0.001 0.000 0.153 34 S C 0.547 175.160 174.600 0.022 0.000 1.224 34 S CA 0.289 58.506 58.200 0.029 0.000 1.197 34 S CB -0.575 62.642 63.200 0.029 0.000 1.634 34 S HN 1.379 nan 8.310 nan 0.000 0.422 35 G N 0.854 109.663 108.800 0.014 0.000 2.588 35 G HA2 0.559 4.519 3.960 0.001 0.000 0.281 35 G HA3 0.559 4.519 3.960 0.001 0.000 0.281 35 G C 1.211 176.111 174.900 0.000 0.000 1.236 35 G CA -0.100 45.006 45.100 0.009 0.000 0.969 35 G HN 0.734 nan 8.290 nan 0.000 0.504 36 A N -1.035 121.784 122.820 -0.001 0.000 2.024 36 A HA -0.075 4.245 4.320 0.001 0.000 0.220 36 A C 1.986 179.544 177.584 -0.042 0.000 1.164 36 A CA 1.834 53.864 52.037 -0.012 0.000 0.643 36 A CB -0.234 18.761 19.000 -0.008 0.000 0.806 36 A HN 0.580 nan 8.150 nan 0.000 0.451 37 Q N -1.114 118.652 119.800 -0.057 0.000 2.211 37 Q HA 0.428 4.768 4.340 0.001 0.000 0.231 37 Q C 0.355 176.297 176.000 -0.096 0.000 0.865 37 Q CA 0.354 56.098 55.803 -0.098 0.000 0.997 37 Q CB -0.094 28.582 28.738 -0.104 0.000 1.101 37 Q HN 0.753 nan 8.270 nan 0.000 0.468 38 G N -0.151 108.609 108.800 -0.067 0.000 2.302 38 G HA2 0.049 4.009 3.960 0.001 0.000 0.276 38 G HA3 0.049 4.009 3.960 0.001 0.000 0.276 38 G C -1.610 173.287 174.900 -0.006 0.000 1.316 38 G CA -0.914 44.147 45.100 -0.065 0.000 0.988 38 G HN 0.133 nan 8.290 nan 0.000 0.479 39 I N -0.073 120.519 120.570 0.037 0.000 2.569 39 I HA 0.551 4.721 4.170 0.001 0.000 0.290 39 I C -0.420 175.816 176.117 0.199 0.000 1.088 39 I CA -1.129 60.251 61.300 0.135 0.000 1.047 39 I CB 2.296 40.450 38.000 0.258 0.000 1.237 39 I HN 0.386 nan 8.210 nan 0.000 0.421 40 V N 4.483 124.476 119.914 0.131 0.000 2.555 40 V HA 0.443 4.563 4.120 0.001 0.000 0.302 40 V C -0.459 175.679 176.094 0.073 0.000 1.038 40 V CA -0.475 61.895 62.300 0.117 0.000 0.887 40 V CB 1.926 33.773 31.823 0.039 0.000 0.991 40 V HN 0.807 nan 8.190 nan 0.000 0.434 41 C N 3.430 122.781 119.300 0.085 0.000 2.493 41 C HA 0.868 5.329 4.460 0.001 0.000 0.326 41 C C 0.730 175.731 174.990 0.017 0.000 1.200 41 C CA -0.666 58.344 59.018 -0.014 0.000 1.739 41 C CB 1.321 28.989 27.740 -0.120 0.000 2.300 41 C HN 1.020 nan 8.230 nan 0.000 0.500 42 A N 2.038 124.862 122.820 0.007 0.000 2.302 42 A HA 0.905 5.226 4.320 0.001 0.000 0.285 42 A C -0.199 177.422 177.584 0.060 0.000 1.105 42 A CA 0.078 52.134 52.037 0.032 0.000 0.816 42 A CB 0.527 19.543 19.000 0.028 0.000 1.067 42 A HN 1.769 nan 8.150 nan 0.000 0.489 43 A N 0.204 123.082 122.820 0.097 0.000 2.594 43 A HA 0.508 4.828 4.320 0.001 0.000 0.296 43 A C -1.570 176.139 177.584 0.209 0.000 1.056 43 A CA -0.498 51.634 52.037 0.159 0.000 0.693 43 A CB 0.330 19.433 19.000 0.170 0.000 1.278 43 A HN 1.542 nan 8.150 nan 0.000 0.408 44 Y N 1.943 122.319 120.300 0.126 0.000 2.350 44 Y HA 0.507 5.058 4.550 0.001 0.000 0.340 44 Y C -0.156 175.825 175.900 0.135 0.000 1.006 44 Y CA -0.418 57.745 58.100 0.105 0.000 1.166 44 Y CB 1.067 39.564 38.460 0.062 0.000 1.168 44 Y HN 0.648 nan 8.280 nan 0.000 0.502 45 D N 5.682 125.781 120.400 -0.501 0.000 2.456 45 D HA 0.236 4.876 4.640 0.001 0.000 0.219 45 D C 0.909 176.734 176.300 -0.792 0.000 1.126 45 D CA 0.355 54.085 54.000 -0.452 0.000 0.890 45 D CB 1.109 41.815 40.800 -0.158 0.000 1.025 45 D HN 0.833 nan 8.370 nan 0.000 0.511 46 A N 4.864 127.313 122.820 -0.619 0.000 1.940 46 A HA -0.242 4.079 4.320 0.001 0.000 0.221 46 A C 2.190 179.628 177.584 -0.243 0.000 1.190 46 A CA 1.342 53.196 52.037 -0.305 0.000 0.647 46 A CB -0.495 18.482 19.000 -0.038 0.000 0.821 46 A HN 0.746 nan 8.150 nan 0.000 0.457 47 I N -1.378 119.028 120.570 -0.274 0.000 2.110 47 I HA -0.229 3.941 4.170 0.001 0.000 0.236 47 I C 2.324 178.352 176.117 -0.149 0.000 1.068 47 I CA 1.380 62.567 61.300 -0.188 0.000 1.333 47 I CB -0.452 37.426 38.000 -0.204 0.000 1.054 47 I HN 0.238 nan 8.210 nan 0.000 0.402 48 L N 0.208 121.331 121.223 -0.167 0.000 2.291 48 L HA -0.085 4.255 4.340 0.001 0.000 0.214 48 L C 0.367 177.174 176.870 -0.105 0.000 1.120 48 L CA 0.825 55.604 54.840 -0.102 0.000 0.799 48 L CB -0.444 41.574 42.059 -0.069 0.000 0.925 48 L HN 0.235 nan 8.230 nan 0.000 0.446 49 E N 0.074 120.149 120.200 -0.209 0.000 2.287 49 E HA -0.232 4.118 4.350 0.001 0.000 0.229 49 E C 0.234 176.804 176.600 -0.051 0.000 1.194 49 E CA 0.409 56.718 56.400 -0.152 0.000 0.704 49 E CB -0.699 29.026 29.700 0.042 0.000 1.216 49 E HN 0.357 nan 8.360 nan 0.000 0.381 50 R N 0.441 120.849 120.500 -0.153 0.000 2.764 50 R HA 0.411 4.751 4.340 0.001 0.000 0.270 50 R C -1.148 175.147 176.300 -0.007 0.000 1.014 50 R CA -0.809 55.283 56.100 -0.014 0.000 0.904 50 R CB 1.262 31.558 30.300 -0.008 0.000 1.236 50 R HN 0.048 nan 8.270 nan 0.000 0.466 51 N N 1.331 120.079 118.700 0.079 0.000 2.499 51 N HA 0.296 5.036 4.740 0.001 0.000 0.281 51 N C -0.480 175.069 175.510 0.066 0.000 1.098 51 N CA -0.039 53.074 53.050 0.104 0.000 0.979 51 N CB 1.865 40.420 38.487 0.114 0.000 1.121 51 N HN 0.410 nan 8.380 nan 0.000 0.466 52 V N -1.324 118.636 119.914 0.077 0.000 3.141 52 V HA 0.933 5.053 4.120 0.001 0.000 0.312 52 V C -0.533 175.579 176.094 0.030 0.000 1.157 52 V CA -1.151 61.181 62.300 0.053 0.000 1.041 52 V CB 1.413 33.283 31.823 0.079 0.000 1.071 52 V HN 0.614 nan 8.190 nan 0.000 0.441 53 A N 1.632 124.449 122.820 -0.004 0.000 2.330 53 A HA 0.914 5.234 4.320 0.001 0.000 0.327 53 A C -0.701 176.859 177.584 -0.040 0.000 1.155 53 A CA -0.671 51.358 52.037 -0.014 0.000 0.803 53 A CB 0.811 19.795 19.000 -0.027 0.000 1.208 53 A HN 0.908 nan 8.150 nan 0.000 0.477 54 I N 2.159 122.732 120.570 0.005 0.000 2.468 54 I HA 0.287 4.458 4.170 0.001 0.000 0.284 54 I C -0.177 176.008 176.117 0.114 0.000 1.038 54 I CA -0.282 61.032 61.300 0.024 0.000 1.083 54 I CB 1.753 39.815 38.000 0.102 0.000 1.223 54 I HN 0.686 nan 8.210 nan 0.000 0.443 55 K N 6.701 127.099 120.400 -0.003 0.000 2.185 55 K HA 0.352 4.673 4.320 0.001 0.000 0.269 55 K C -0.481 176.018 176.600 -0.169 0.000 0.987 55 K CA -0.708 55.557 56.287 -0.038 0.000 0.865 55 K CB 1.201 33.645 32.500 -0.092 0.000 1.090 55 K HN 0.342 nan 8.250 nan 0.000 0.450 56 K N 6.430 126.672 120.400 -0.262 0.000 2.419 56 K HA 0.151 4.471 4.320 0.001 0.000 0.244 56 K C -0.740 175.582 176.600 -0.462 0.000 1.045 56 K CA -0.741 55.162 56.287 -0.639 0.000 1.004 56 K CB 0.387 32.273 32.500 -1.024 0.000 1.376 56 K HN 0.548 nan 8.250 nan 0.000 0.460 57 L N 2.913 123.881 121.223 -0.425 0.000 2.653 57 L HA -0.127 4.213 4.340 0.001 0.000 0.288 57 L C 0.398 177.081 176.870 -0.313 0.000 1.243 57 L CA 1.022 55.665 54.840 -0.328 0.000 0.906 57 L CB 0.263 42.118 42.059 -0.340 0.000 1.154 57 L HN 0.566 nan 8.230 nan 0.000 0.498 58 S N 5.021 120.593 115.700 -0.214 0.000 2.438 58 S HA 0.589 5.059 4.470 0.001 0.000 0.316 58 S C 0.097 174.636 174.600 -0.101 0.000 1.084 58 S CA -0.949 57.160 58.200 -0.151 0.000 1.107 58 S CB 1.423 64.571 63.200 -0.085 0.000 0.981 58 S HN 0.563 nan 8.310 nan 0.000 0.466 59 R N 0.619 121.043 120.500 -0.126 0.000 3.332 59 R HA -0.091 4.249 4.340 0.001 0.000 0.263 59 R C -2.381 173.836 176.300 -0.138 0.000 1.053 59 R CA 0.539 56.583 56.100 -0.094 0.000 0.705 59 R CB -2.932 27.359 30.300 -0.015 0.000 1.166 59 R HN 0.545 nan 8.270 nan 0.000 0.427 60 P HA -0.140 nan 4.420 nan 0.000 0.216 60 P C 0.955 177.826 177.300 -0.714 0.000 1.150 60 P CA 1.434 64.112 63.100 -0.704 0.000 0.843 60 P CB -0.012 30.961 31.700 -1.211 0.000 0.787 61 F N -1.712 118.193 119.950 -0.074 0.000 2.678 61 F HA 0.235 4.762 4.527 0.001 0.000 0.305 61 F C 2.402 178.155 175.800 -0.078 0.000 1.090 61 F CA -0.472 57.496 58.000 -0.053 0.000 1.272 61 F CB -0.733 38.227 39.000 -0.066 0.000 1.060 61 F HN -0.135 nan 8.300 nan 0.000 0.576 62 Q N 2.703 122.471 119.800 -0.054 0.000 2.165 62 Q HA -0.294 4.046 4.340 0.001 0.000 0.215 62 Q C -0.046 175.866 176.000 -0.148 0.000 1.010 62 Q CA 2.375 58.074 55.803 -0.173 0.000 0.896 62 Q CB -0.185 28.279 28.738 -0.456 0.000 0.956 62 Q HN 0.661 nan 8.270 nan 0.000 0.413 63 N N -3.551 115.064 118.700 -0.140 0.000 3.179 63 N HA 0.074 4.814 4.740 0.001 0.000 0.250 63 N C -0.348 175.197 175.510 0.057 0.000 1.507 63 N CA -0.332 52.697 53.050 -0.035 0.000 0.883 63 N CB 0.369 38.803 38.487 -0.087 0.000 1.435 63 N HN -0.031 nan 8.380 nan 0.000 0.532 64 Q N -0.550 119.310 119.800 0.099 0.000 2.014 64 Q HA -0.145 4.196 4.340 0.001 0.000 0.207 64 Q C 1.003 177.021 176.000 0.030 0.000 0.993 64 Q CA 3.083 58.972 55.803 0.142 0.000 0.850 64 Q CB -0.591 28.263 28.738 0.192 0.000 0.916 64 Q HN 0.779 nan 8.270 nan 0.000 0.417 65 T N -0.121 114.472 114.554 0.065 0.000 2.685 65 T HA -0.230 4.121 4.350 0.001 0.000 0.268 65 T C 1.407 176.099 174.700 -0.014 0.000 1.034 65 T CA 1.914 64.037 62.100 0.040 0.000 1.149 65 T CB -0.412 68.516 68.868 0.100 0.000 0.860 65 T HN 0.351 nan 8.240 nan 0.000 0.449 66 H N 1.100 120.088 119.070 -0.137 0.000 2.270 66 H HA 0.184 4.740 4.556 0.001 0.000 0.299 66 H C 2.519 177.684 175.328 -0.273 0.000 1.077 66 H CA 1.394 57.334 56.048 -0.179 0.000 1.294 66 H CB -0.923 28.747 29.762 -0.154 0.000 1.371 66 H HN 0.385 nan 8.280 nan 0.000 0.491 67 A N 1.003 123.727 122.820 -0.159 0.000 1.948 67 A HA -0.269 4.051 4.320 0.001 0.000 0.220 67 A C 2.236 179.376 177.584 -0.739 0.000 1.177 67 A CA 1.987 53.821 52.037 -0.338 0.000 0.636 67 A CB -0.588 18.302 19.000 -0.184 0.000 0.815 67 A HN 0.423 nan 8.150 nan 0.000 0.449 68 K N -0.464 119.403 120.400 -0.888 0.000 1.977 68 K HA -0.231 4.089 4.320 0.001 0.000 0.218 68 K C 2.312 178.631 176.600 -0.469 0.000 1.051 68 K CA 1.973 57.701 56.287 -0.932 0.000 0.953 68 K CB -0.247 31.994 32.500 -0.431 0.000 0.727 68 K HN 0.451 nan 8.250 nan 0.000 0.445 69 R N -0.023 120.302 120.500 -0.291 0.000 2.081 69 R HA -0.112 4.228 4.340 0.001 0.000 0.235 69 R C 2.420 178.613 176.300 -0.177 0.000 1.131 69 R CA 1.326 57.309 56.100 -0.195 0.000 0.960 69 R CB -0.493 29.695 30.300 -0.186 0.000 0.856 69 R HN 0.337 nan 8.270 nan 0.000 0.436 70 A N 0.462 123.156 122.820 -0.211 0.000 1.948 70 A HA -0.255 4.066 4.320 0.001 0.000 0.220 70 A C 1.998 179.530 177.584 -0.087 0.000 1.177 70 A CA 1.516 53.447 52.037 -0.176 0.000 0.636 70 A CB -0.683 18.176 19.000 -0.234 0.000 0.815 70 A HN 0.478 nan 8.150 nan 0.000 0.449 71 Y N -0.150 120.016 120.300 -0.224 0.000 2.130 71 Y HA -0.090 4.460 4.550 0.001 0.000 0.287 71 Y C 2.514 178.369 175.900 -0.075 0.000 1.124 71 Y CA 1.843 59.871 58.100 -0.121 0.000 1.118 71 Y CB -0.489 37.859 38.460 -0.187 0.000 0.994 71 Y HN 0.241 nan 8.280 nan 0.000 0.497 72 R N 0.410 120.850 120.500 -0.101 0.000 2.115 72 R HA -0.301 4.039 4.340 0.001 0.000 0.239 72 R C 2.403 178.615 176.300 -0.146 0.000 1.133 72 R CA 2.367 58.385 56.100 -0.135 0.000 0.935 72 R CB -0.553 29.708 30.300 -0.065 0.000 0.853 72 R HN 0.643 nan 8.270 nan 0.000 0.433 73 E N 0.305 120.453 120.200 -0.086 0.000 2.049 73 E HA -0.263 4.088 4.350 0.001 0.000 0.198 73 E C 1.867 178.443 176.600 -0.041 0.000 1.007 73 E CA 1.418 57.816 56.400 -0.003 0.000 0.809 73 E CB -0.247 29.440 29.700 -0.022 0.000 0.749 73 E HN 0.141 nan 8.360 nan 0.000 0.450 74 L N 0.940 122.094 121.223 -0.115 0.000 1.991 74 L HA -0.231 4.110 4.340 0.001 0.000 0.221 74 L C 2.625 179.407 176.870 -0.146 0.000 1.079 74 L CA 1.703 56.469 54.840 -0.124 0.000 0.778 74 L CB -1.290 40.688 42.059 -0.135 0.000 0.893 74 L HN 0.258 nan 8.230 nan 0.000 0.437 75 V N -0.252 119.489 119.914 -0.289 0.000 2.220 75 V HA -0.342 3.778 4.120 0.001 0.000 0.246 75 V C 2.680 178.723 176.094 -0.085 0.000 1.049 75 V CA 1.982 64.136 62.300 -0.242 0.000 1.003 75 V CB -0.535 31.069 31.823 -0.365 0.000 0.634 75 V HN 0.402 nan 8.190 nan 0.000 0.444 76 L N -1.076 120.116 121.223 -0.051 0.000 2.081 76 L HA -0.250 4.091 4.340 0.001 0.000 0.212 76 L C 2.662 179.661 176.870 0.214 0.000 1.080 76 L CA 1.419 56.280 54.840 0.034 0.000 0.754 76 L CB -0.504 41.516 42.059 -0.065 0.000 0.893 76 L HN 0.331 nan 8.230 nan 0.000 0.433 77 M N -0.336 119.396 119.600 0.220 0.000 2.202 77 M HA -0.240 4.240 4.480 0.001 0.000 0.262 77 M C 2.272 178.626 176.300 0.091 0.000 1.063 77 M CA 1.737 57.124 55.300 0.145 0.000 1.097 77 M CB -0.690 31.913 32.600 0.005 0.000 1.382 77 M HN 0.158 nan 8.290 nan 0.000 0.413 78 K N 0.043 120.476 120.400 0.055 0.000 2.029 78 K HA -0.017 4.303 4.320 0.001 0.000 0.205 78 K C 2.002 178.635 176.600 0.055 0.000 1.042 78 K CA 1.602 57.912 56.287 0.039 0.000 0.949 78 K CB -0.597 31.909 32.500 0.010 0.000 0.740 78 K HN 0.303 nan 8.250 nan 0.000 0.442 79 C N 0.622 119.951 119.300 0.047 0.000 2.413 79 C HA 0.036 4.497 4.460 0.001 0.000 0.276 79 C C 0.889 175.930 174.990 0.084 0.000 1.248 79 C CA -0.076 58.969 59.018 0.046 0.000 1.742 79 C CB -0.616 27.132 27.740 0.014 0.000 2.017 79 C HN 0.201 nan 8.230 nan 0.000 0.481 80 V N 2.248 122.242 119.914 0.133 0.000 2.649 80 V HA 0.303 4.423 4.120 0.001 0.000 0.292 80 V C -0.216 176.005 176.094 0.212 0.000 1.055 80 V CA 0.358 62.788 62.300 0.217 0.000 1.023 80 V CB 0.989 33.003 31.823 0.319 0.000 0.992 80 V HN 0.523 nan 8.190 nan 0.000 0.480 81 N N 2.190 121.031 118.700 0.235 0.000 2.793 81 N HA 0.300 5.041 4.740 0.001 0.000 0.251 81 N C -1.175 174.400 175.510 0.108 0.000 1.308 81 N CA -0.414 52.724 53.050 0.146 0.000 0.781 81 N CB 0.738 39.286 38.487 0.102 0.000 1.439 81 N HN 0.955 nan 8.380 nan 0.000 0.562 82 H N 0.939 119.966 119.070 -0.071 0.000 2.930 82 H HA 0.272 4.829 4.556 0.001 0.000 0.371 82 H C 0.526 175.778 175.328 -0.126 0.000 1.169 82 H CA -0.733 55.183 56.048 -0.220 0.000 1.157 82 H CB 1.803 31.262 29.762 -0.506 0.000 1.789 82 H HN 0.276 nan 8.280 nan 0.000 0.547 83 K N 3.032 123.606 120.400 0.291 0.000 2.057 83 K HA -0.133 4.187 4.320 0.001 0.000 0.207 83 K C 0.101 176.571 176.600 -0.217 0.000 1.049 83 K CA 1.850 58.158 56.287 0.035 0.000 0.931 83 K CB -0.157 32.406 32.500 0.104 0.000 0.714 83 K HN 0.677 nan 8.250 nan 0.000 0.440 84 N N 0.365 118.667 118.700 -0.664 0.000 2.421 84 N HA 0.077 4.817 4.740 0.001 0.000 0.201 84 N C -0.722 174.531 175.510 -0.427 0.000 1.198 84 N CA -0.221 52.471 53.050 -0.596 0.000 0.838 84 N CB 0.348 38.388 38.487 -0.744 0.000 1.011 84 N HN 0.097 nan 8.380 nan 0.000 0.463 85 I N 1.272 121.667 120.570 -0.292 0.000 2.499 85 I HA 0.222 4.392 4.170 0.001 0.000 0.288 85 I C 0.158 176.223 176.117 -0.086 0.000 1.048 85 I CA -1.113 60.131 61.300 -0.093 0.000 1.062 85 I CB 1.476 39.530 38.000 0.091 0.000 1.238 85 I HN -0.101 nan 8.210 nan 0.000 0.426 86 I N 4.686 125.181 120.570 -0.125 0.000 3.110 86 I HA 0.080 4.251 4.170 0.001 0.000 0.305 86 I C 0.875 176.916 176.117 -0.127 0.000 1.232 86 I CA 0.858 62.071 61.300 -0.145 0.000 1.431 86 I CB 0.475 38.352 38.000 -0.206 0.000 1.320 86 I HN 0.696 nan 8.210 nan 0.000 0.583 87 G N 6.617 115.363 108.800 -0.090 0.000 2.416 87 G HA2 0.535 4.495 3.960 0.001 0.000 0.329 87 G HA3 0.535 4.495 3.960 0.001 0.000 0.329 87 G C -1.329 173.536 174.900 -0.058 0.000 1.173 87 G CA -0.720 44.347 45.100 -0.054 0.000 0.929 87 G HN 0.630 nan 8.290 nan 0.000 0.475 88 L N 1.846 123.046 121.223 -0.039 0.000 2.349 88 L HA 0.495 4.836 4.340 0.001 0.000 0.275 88 L C 0.441 177.308 176.870 -0.006 0.000 1.115 88 L CA -0.090 54.730 54.840 -0.033 0.000 0.820 88 L CB 0.973 43.021 42.059 -0.019 0.000 1.135 88 L HN 0.545 nan 8.230 nan 0.000 0.445 89 L N 3.599 124.822 121.223 0.001 0.000 2.600 89 L HA 0.383 4.724 4.340 0.001 0.000 0.213 89 L C 0.519 177.425 176.870 0.059 0.000 1.045 89 L CA -0.016 54.844 54.840 0.033 0.000 0.863 89 L CB 0.207 42.293 42.059 0.046 0.000 1.189 89 L HN 0.764 nan 8.230 nan 0.000 0.484 90 N N -1.161 117.570 118.700 0.053 0.000 3.355 90 N HA 0.318 5.058 4.740 0.001 0.000 0.238 90 N C -2.081 173.457 175.510 0.047 0.000 1.466 90 N CA -0.176 52.928 53.050 0.092 0.000 0.882 90 N CB 2.621 41.227 38.487 0.198 0.000 1.406 90 N HN -0.178 nan 8.380 nan 0.000 0.500 91 V N 1.457 121.424 119.914 0.089 0.000 3.120 91 V HA 0.921 5.041 4.120 0.001 0.000 0.303 91 V C -1.818 174.378 176.094 0.170 0.000 1.238 91 V CA -0.454 61.850 62.300 0.007 0.000 1.008 91 V CB 1.754 33.578 31.823 0.002 0.000 1.064 91 V HN 0.712 nan 8.190 nan 0.000 0.434 92 F N 1.571 121.627 119.950 0.178 0.000 2.744 92 F HA 0.801 5.329 4.527 0.001 0.000 0.311 92 F C -1.054 174.971 175.800 0.375 0.000 1.144 92 F CA -0.459 57.683 58.000 0.237 0.000 0.938 92 F CB 1.312 40.442 39.000 0.217 0.000 1.292 92 F HN 0.611 nan 8.300 nan 0.000 0.444 93 T N 2.154 117.146 114.554 0.729 0.000 2.876 93 T HA 0.614 4.964 4.350 0.001 0.000 0.289 93 T C -2.642 172.379 174.700 0.534 0.000 1.014 93 T CA -1.957 60.545 62.100 0.670 0.000 0.986 93 T CB 1.999 71.260 68.868 0.655 0.000 1.021 93 T HN 0.639 nan 8.240 nan 0.000 0.458 94 P HA 0.285 nan 4.420 nan 0.000 0.243 94 P C -0.724 176.468 177.300 -0.180 0.000 1.672 94 P CA -0.242 62.660 63.100 -0.329 0.000 1.000 94 P CB 0.221 31.754 31.700 -0.278 0.000 1.562 95 Q N 0.242 120.090 119.800 0.080 0.000 2.321 95 Q HA 0.288 4.628 4.340 0.001 0.000 0.270 95 Q C 0.182 176.265 176.000 0.138 0.000 1.032 95 Q CA -0.328 55.535 55.803 0.099 0.000 0.784 95 Q CB 1.904 30.753 28.738 0.185 0.000 1.264 95 Q HN -0.203 nan 8.270 nan 0.000 0.448 96 K N -0.062 120.380 120.400 0.071 0.000 2.546 96 K HA 0.196 4.516 4.320 0.001 0.000 0.198 96 K C -0.164 176.476 176.600 0.067 0.000 1.028 96 K CA -0.100 56.245 56.287 0.096 0.000 1.150 96 K CB 0.082 32.620 32.500 0.064 0.000 0.876 96 K HN 0.551 nan 8.250 nan 0.000 0.508 97 S N -1.508 114.170 115.700 -0.037 0.000 2.688 97 S HA 0.313 4.783 4.470 0.001 0.000 0.275 97 S C -0.053 174.107 174.600 -0.733 0.000 1.175 97 S CA -0.999 57.078 58.200 -0.204 0.000 0.818 97 S CB 0.600 63.727 63.200 -0.120 0.000 1.157 97 S HN -0.026 nan 8.310 nan 0.000 0.482 98 L N 0.372 121.203 121.223 -0.653 0.000 2.492 98 L HA 0.462 4.803 4.340 0.001 0.000 0.223 98 L C 1.542 178.189 176.870 -0.372 0.000 1.132 98 L CA 1.656 56.021 54.840 -0.791 0.000 0.850 98 L CB -1.098 40.765 42.059 -0.327 0.000 0.966 98 L HN 0.828 nan 8.230 nan 0.000 0.454 99 E N -0.959 119.098 120.200 -0.238 0.000 2.256 99 E HA -0.022 4.329 4.350 0.001 0.000 0.198 99 E C 1.887 178.434 176.600 -0.087 0.000 0.908 99 E CA 0.538 56.860 56.400 -0.130 0.000 0.915 99 E CB -0.033 29.611 29.700 -0.093 0.000 0.890 99 E HN 0.407 nan 8.360 nan 0.000 0.484 100 E N 0.265 120.415 120.200 -0.082 0.000 2.130 100 E HA -0.193 4.157 4.350 0.001 0.000 0.196 100 E C -0.012 176.619 176.600 0.052 0.000 0.998 100 E CA 0.196 56.582 56.400 -0.023 0.000 0.806 100 E CB -0.136 29.552 29.700 -0.020 0.000 0.738 100 E HN 0.111 nan 8.360 nan 0.000 0.459 101 F N 2.621 122.462 119.950 -0.181 0.000 2.116 101 F HA -0.213 4.314 4.527 0.001 0.000 0.350 101 F C 1.009 176.829 175.800 0.033 0.000 1.045 101 F CA 0.831 58.785 58.000 -0.077 0.000 0.835 101 F CB -0.390 38.486 39.000 -0.206 0.000 0.725 101 F HN 0.152 nan 8.300 nan 0.000 0.490 102 Q N 2.253 122.110 119.800 0.095 0.000 1.909 102 Q HA 0.030 4.371 4.340 0.001 0.000 0.209 102 Q C -0.098 175.835 176.000 -0.111 0.000 0.974 102 Q CA 1.395 57.189 55.803 -0.014 0.000 0.851 102 Q CB 0.272 29.031 28.738 0.035 0.000 0.904 102 Q HN 0.728 nan 8.270 nan 0.000 0.445 103 D N -1.429 118.916 120.400 -0.092 0.000 2.533 103 D HA 0.479 5.119 4.640 0.001 0.000 0.247 103 D C -1.203 175.011 176.300 -0.144 0.000 1.056 103 D CA -0.741 53.114 54.000 -0.241 0.000 1.054 103 D CB 1.461 42.056 40.800 -0.342 0.000 1.400 103 D HN 0.024 nan 8.370 nan 0.000 0.533 104 V N -0.078 119.660 119.914 -0.295 0.000 2.630 104 V HA 0.468 4.589 4.120 0.001 0.000 0.305 104 V C -1.171 174.613 176.094 -0.517 0.000 1.046 104 V CA -0.531 61.667 62.300 -0.170 0.000 0.934 104 V CB 1.128 32.901 31.823 -0.082 0.000 1.003 104 V HN 0.500 nan 8.190 nan 0.000 0.451 105 Y N 3.496 123.577 120.300 -0.365 0.000 2.442 105 Y HA 0.678 5.229 4.550 0.001 0.000 0.344 105 Y C -0.119 175.434 175.900 -0.578 0.000 0.976 105 Y CA -0.583 57.130 58.100 -0.645 0.000 1.040 105 Y CB 1.956 39.627 38.460 -1.315 0.000 1.228 105 Y HN 0.386 nan 8.280 nan 0.000 0.451 106 I N 3.649 124.055 120.570 -0.274 0.000 2.465 106 I HA 0.469 4.639 4.170 0.001 0.000 0.291 106 I C -1.120 174.882 176.117 -0.192 0.000 1.014 106 I CA -1.145 60.032 61.300 -0.206 0.000 1.093 106 I CB 1.952 39.858 38.000 -0.157 0.000 1.267 106 I HN 0.216 nan 8.210 nan 0.000 0.431 107 V N 6.828 126.647 119.914 -0.158 0.000 2.313 107 V HA 0.435 4.556 4.120 0.001 0.000 0.278 107 V C 0.082 176.130 176.094 -0.077 0.000 1.017 107 V CA -0.331 61.882 62.300 -0.145 0.000 0.823 107 V CB 1.018 32.742 31.823 -0.164 0.000 1.010 107 V HN 0.666 nan 8.190 nan 0.000 0.443 108 M N 3.235 122.788 119.600 -0.079 0.000 2.598 108 M HA 0.509 4.990 4.480 0.001 0.000 0.317 108 M C 0.428 176.704 176.300 -0.041 0.000 1.201 108 M CA -0.610 54.650 55.300 -0.067 0.000 0.971 108 M CB 1.476 34.016 32.600 -0.100 0.000 1.657 108 M HN 0.737 nan 8.290 nan 0.000 0.470 109 E N 0.937 121.117 120.200 -0.033 0.000 2.425 109 E HA 0.321 4.671 4.350 0.001 0.000 0.258 109 E C -1.296 175.291 176.600 -0.021 0.000 1.151 109 E CA -0.598 55.792 56.400 -0.016 0.000 0.958 109 E CB 0.739 30.429 29.700 -0.016 0.000 0.968 109 E HN 0.424 nan 8.360 nan 0.000 0.451 110 L N 1.570 122.790 121.223 -0.005 0.000 2.342 110 L HA 0.439 4.779 4.340 0.001 0.000 0.271 110 L C -0.658 176.209 176.870 -0.005 0.000 1.008 110 L CA -0.653 54.184 54.840 -0.004 0.000 0.818 110 L CB 1.741 43.809 42.059 0.014 0.000 1.296 110 L HN 0.715 nan 8.230 nan 0.000 0.427 111 M N 1.272 120.865 119.600 -0.012 0.000 2.758 111 M HA 0.347 4.827 4.480 0.001 0.000 0.281 111 M C 0.210 176.506 176.300 -0.006 0.000 1.082 111 M CA -0.621 54.672 55.300 -0.013 0.000 0.866 111 M CB 0.888 33.472 32.600 -0.026 0.000 1.662 111 M HN 0.530 nan 8.290 nan 0.000 0.515 112 D N 0.189 120.584 120.400 -0.008 0.000 2.146 112 D HA 0.273 4.913 4.640 0.001 0.000 0.209 112 D C 0.299 176.595 176.300 -0.007 0.000 0.973 112 D CA 1.028 55.025 54.000 -0.004 0.000 0.860 112 D CB 0.434 41.232 40.800 -0.003 0.000 1.015 112 D HN 0.542 nan 8.370 nan 0.000 0.465 113 A N -0.605 122.208 122.820 -0.012 0.000 2.534 113 A HA 0.441 4.761 4.320 0.001 0.000 0.300 113 A C -0.394 177.178 177.584 -0.019 0.000 1.223 113 A CA -0.631 51.398 52.037 -0.012 0.000 0.666 113 A CB 0.520 19.515 19.000 -0.009 0.000 1.316 113 A HN 0.026 nan 8.150 nan 0.000 0.468 114 N N -1.219 117.470 118.700 -0.018 0.000 2.332 114 N HA 0.275 5.016 4.740 0.001 0.000 0.285 114 N C 0.389 175.884 175.510 -0.026 0.000 1.292 114 N CA -0.462 52.573 53.050 -0.025 0.000 0.947 114 N CB 0.154 38.630 38.487 -0.019 0.000 1.084 114 N HN 0.441 nan 8.380 nan 0.000 0.529 115 L N 0.342 121.547 121.223 -0.030 0.000 2.672 115 L HA 0.205 4.545 4.340 0.001 0.000 0.236 115 L C 1.606 178.469 176.870 -0.012 0.000 1.092 115 L CA 0.503 55.326 54.840 -0.027 0.000 0.887 115 L CB -0.780 41.250 42.059 -0.048 0.000 1.168 115 L HN 0.680 nan 8.230 nan 0.000 0.502 116 C N 0.249 119.543 119.300 -0.009 0.000 2.413 116 C HA -0.204 4.256 4.460 0.001 0.000 0.276 116 C C 2.661 177.657 174.990 0.011 0.000 1.248 116 C CA 1.269 60.291 59.018 0.005 0.000 1.742 116 C CB -0.827 26.917 27.740 0.007 0.000 2.017 116 C HN 0.603 nan 8.230 nan 0.000 0.481 117 Q N 1.058 120.861 119.800 0.004 0.000 2.077 117 Q HA -0.188 4.153 4.340 0.001 0.000 0.206 117 Q C 1.986 177.994 176.000 0.012 0.000 0.989 117 Q CA 2.435 58.241 55.803 0.004 0.000 0.853 117 Q CB -0.349 28.389 28.738 -0.001 0.000 0.907 117 Q HN 0.501 nan 8.270 nan 0.000 0.418 118 V N 0.343 120.266 119.914 0.015 0.000 2.667 118 V HA -0.156 3.965 4.120 0.001 0.000 0.252 118 V C 2.023 178.151 176.094 0.058 0.000 1.065 118 V CA 1.389 63.706 62.300 0.028 0.000 1.083 118 V CB -0.456 31.379 31.823 0.020 0.000 0.692 118 V HN 0.419 nan 8.190 nan 0.000 0.468 119 I N -0.158 120.446 120.570 0.057 0.000 3.334 119 I HA -0.080 4.091 4.170 0.001 0.000 0.282 119 I C 1.496 177.730 176.117 0.195 0.000 1.313 119 I CA 0.682 62.044 61.300 0.102 0.000 1.396 119 I CB -0.107 37.921 38.000 0.046 0.000 1.054 119 I HN 0.309 nan 8.210 nan 0.000 0.495 120 Q N 1.501 121.353 119.800 0.088 0.000 2.225 120 Q HA 0.359 4.699 4.340 0.001 0.000 0.259 120 Q C -0.257 175.719 176.000 -0.040 0.000 0.872 120 Q CA 0.147 55.961 55.803 0.019 0.000 1.042 120 Q CB 0.516 29.253 28.738 -0.001 0.000 1.142 120 Q HN 0.488 nan 8.270 nan 0.000 0.463 121 M N -2.416 117.174 119.600 -0.017 0.000 2.534 121 M HA 0.487 4.967 4.480 0.001 0.000 0.280 121 M C -1.158 175.148 176.300 0.010 0.000 1.217 121 M CA -0.736 54.536 55.300 -0.046 0.000 0.893 121 M CB 1.925 34.518 32.600 -0.010 0.000 1.730 121 M HN -0.237 nan 8.290 nan 0.000 0.483 122 E N 2.888 123.076 120.200 -0.020 0.000 2.130 122 E HA 0.574 4.924 4.350 0.001 0.000 0.284 122 E C -0.981 175.648 176.600 0.050 0.000 1.018 122 E CA -0.417 56.011 56.400 0.048 0.000 0.817 122 E CB 1.523 31.224 29.700 0.001 0.000 1.078 122 E HN 0.494 nan 8.360 nan 0.000 0.396 123 L N 2.340 123.606 121.223 0.071 0.000 2.416 123 L HA 0.391 4.731 4.340 0.001 0.000 0.263 123 L C 0.590 177.486 176.870 0.043 0.000 1.065 123 L CA -1.031 53.844 54.840 0.059 0.000 0.798 123 L CB 0.595 42.700 42.059 0.076 0.000 1.267 123 L HN 0.514 nan 8.230 nan 0.000 0.467 124 D N -2.121 118.315 120.400 0.060 0.000 2.217 124 D HA 0.137 4.778 4.640 0.001 0.000 0.248 124 D C 0.663 177.036 176.300 0.122 0.000 1.008 124 D CA -0.640 53.399 54.000 0.065 0.000 0.914 124 D CB 1.349 42.208 40.800 0.098 0.000 1.182 124 D HN 0.464 nan 8.370 nan 0.000 0.451 125 H N 1.070 120.271 119.070 0.219 0.000 2.292 125 H HA -0.191 4.365 4.556 0.001 0.000 0.292 125 H C 1.476 176.928 175.328 0.207 0.000 1.100 125 H CA 2.157 58.362 56.048 0.262 0.000 1.238 125 H CB 0.095 29.996 29.762 0.232 0.000 1.355 125 H HN 0.634 nan 8.280 nan 0.000 0.484 126 E N 0.257 120.664 120.200 0.345 0.000 2.033 126 E HA -0.218 4.133 4.350 0.001 0.000 0.199 126 E C 2.537 179.331 176.600 0.323 0.000 1.011 126 E CA 1.128 57.769 56.400 0.401 0.000 0.815 126 E CB -0.123 29.779 29.700 0.338 0.000 0.755 126 E HN 0.273 nan 8.360 nan 0.000 0.451 127 R N 0.366 120.982 120.500 0.193 0.000 2.070 127 R HA -0.129 4.211 4.340 0.001 0.000 0.233 127 R C 2.422 178.846 176.300 0.206 0.000 1.137 127 R CA 1.578 57.766 56.100 0.145 0.000 0.945 127 R CB -0.185 30.172 30.300 0.094 0.000 0.845 127 R HN 0.184 nan 8.270 nan 0.000 0.430 128 M N -0.287 119.450 119.600 0.229 0.000 2.082 128 M HA -0.265 4.215 4.480 0.001 0.000 0.258 128 M C 2.362 178.873 176.300 0.351 0.000 1.071 128 M CA 2.300 57.755 55.300 0.259 0.000 1.103 128 M CB -0.328 32.454 32.600 0.304 0.000 1.307 128 M HN 0.292 nan 8.290 nan 0.000 0.409 129 S N -0.544 115.421 115.700 0.441 0.000 2.389 129 S HA -0.297 4.173 4.470 0.001 0.000 0.229 129 S C 1.848 176.785 174.600 0.562 0.000 1.048 129 S CA 2.112 60.580 58.200 0.447 0.000 1.117 129 S CB -0.893 62.413 63.200 0.175 0.000 1.020 129 S HN 0.629 nan 8.310 nan 0.000 0.430 130 Y N 1.582 122.102 120.300 0.367 0.000 2.193 130 Y HA -0.083 4.468 4.550 0.001 0.000 0.285 130 Y C 2.107 178.062 175.900 0.093 0.000 1.166 130 Y CA 1.790 59.835 58.100 -0.092 0.000 1.181 130 Y CB -0.570 37.472 38.460 -0.697 0.000 0.976 130 Y HN 0.325 nan 8.280 nan 0.000 0.520 131 L N -1.200 120.050 121.223 0.045 0.000 2.056 131 L HA -0.235 4.105 4.340 0.001 0.000 0.207 131 L C 2.212 179.063 176.870 -0.031 0.000 1.078 131 L CA 0.549 55.352 54.840 -0.062 0.000 0.749 131 L CB -0.485 41.587 42.059 0.022 0.000 0.901 131 L HN 0.242 nan 8.230 nan 0.000 0.433 132 L N -1.221 120.064 121.223 0.104 0.000 2.093 132 L HA -0.250 4.090 4.340 0.001 0.000 0.208 132 L C 2.420 179.343 176.870 0.089 0.000 1.085 132 L CA 1.749 56.651 54.840 0.102 0.000 0.755 132 L CB -1.490 40.686 42.059 0.195 0.000 0.904 132 L HN 0.298 nan 8.230 nan 0.000 0.435 133 Y N 1.225 121.553 120.300 0.048 0.000 2.128 133 Y HA -0.283 4.268 4.550 0.001 0.000 0.284 133 Y C 2.688 178.523 175.900 -0.109 0.000 1.154 133 Y CA 1.830 59.950 58.100 0.033 0.000 1.149 133 Y CB -0.243 38.335 38.460 0.197 0.000 0.976 133 Y HN 0.295 nan 8.280 nan 0.000 0.505 134 Q N -0.361 119.181 119.800 -0.430 0.000 2.050 134 Q HA -0.233 4.107 4.340 0.001 0.000 0.202 134 Q C 2.528 178.300 176.000 -0.380 0.000 0.980 134 Q CA 1.831 57.307 55.803 -0.544 0.000 0.840 134 Q CB -0.336 28.107 28.738 -0.493 0.000 0.898 134 Q HN 0.585 nan 8.270 nan 0.000 0.424 135 M N 0.720 120.170 119.600 -0.250 0.000 2.089 135 M HA -0.245 4.235 4.480 0.001 0.000 0.257 135 M C 2.022 178.215 176.300 -0.179 0.000 1.071 135 M CA 1.622 56.813 55.300 -0.181 0.000 1.096 135 M CB -0.080 32.450 32.600 -0.116 0.000 1.330 135 M HN 0.219 nan 8.290 nan 0.000 0.403 136 L N -1.005 120.117 121.223 -0.167 0.000 2.056 136 L HA -0.268 4.072 4.340 0.001 0.000 0.207 136 L C 2.530 179.285 176.870 -0.192 0.000 1.078 136 L CA 1.084 55.838 54.840 -0.143 0.000 0.749 136 L CB -0.708 41.312 42.059 -0.066 0.000 0.901 136 L HN 0.476 nan 8.230 nan 0.000 0.433 137 C N -0.020 119.087 119.300 -0.322 0.000 2.422 137 C HA -0.088 4.372 4.460 0.001 0.000 0.279 137 C C 2.861 177.790 174.990 -0.102 0.000 1.305 137 C CA 0.863 59.719 59.018 -0.270 0.000 1.757 137 C CB -1.507 25.944 27.740 -0.483 0.000 1.962 137 C HN 0.708 nan 8.230 nan 0.000 0.499 138 G N 0.159 108.827 108.800 -0.220 0.000 2.394 138 G HA2 -0.109 3.851 3.960 0.001 0.000 0.215 138 G HA3 -0.109 3.851 3.960 0.001 0.000 0.215 138 G C 1.493 176.380 174.900 -0.023 0.000 1.165 138 G CA 0.563 45.547 45.100 -0.193 0.000 0.784 138 G HN 0.499 nan 8.290 nan 0.000 0.535 139 I N 0.689 121.197 120.570 -0.102 0.000 2.133 139 I HA -0.126 4.044 4.170 0.001 0.000 0.238 139 I C 2.671 178.632 176.117 -0.261 0.000 1.074 139 I CA 1.561 62.739 61.300 -0.203 0.000 1.342 139 I CB -0.122 37.696 38.000 -0.304 0.000 1.053 139 I HN 0.149 nan 8.210 nan 0.000 0.404 140 K N 0.497 120.787 120.400 -0.183 0.000 2.304 140 K HA -0.324 3.996 4.320 0.001 0.000 0.204 140 K C 1.867 178.511 176.600 0.074 0.000 1.044 140 K CA 1.925 58.179 56.287 -0.056 0.000 0.932 140 K CB -0.482 32.016 32.500 -0.003 0.000 0.735 140 K HN 0.445 nan 8.250 nan 0.000 0.468 141 H N -0.975 118.105 119.070 0.017 0.000 2.329 141 H HA 0.101 4.658 4.556 0.001 0.000 0.306 141 H C 1.368 176.736 175.328 0.067 0.000 1.062 141 H CA 1.615 57.708 56.048 0.074 0.000 1.364 141 H CB -0.101 29.788 29.762 0.213 0.000 1.409 141 H HN 0.116 nan 8.280 nan 0.000 0.519 142 L N 0.304 121.595 121.223 0.113 0.000 2.131 142 L HA -0.177 4.164 4.340 0.001 0.000 0.210 142 L C 2.159 179.096 176.870 0.110 0.000 1.092 142 L CA 1.731 56.592 54.840 0.036 0.000 0.759 142 L CB -1.089 40.992 42.059 0.036 0.000 0.903 142 L HN 0.525 nan 8.230 nan 0.000 0.435 143 H N -1.472 117.593 119.070 -0.009 0.000 2.423 143 H HA -0.081 4.475 4.556 0.001 0.000 0.297 143 H C 2.150 177.461 175.328 -0.029 0.000 1.075 143 H CA 1.012 57.059 56.048 -0.002 0.000 1.342 143 H CB 0.163 29.945 29.762 0.033 0.000 1.395 143 H HN 0.425 nan 8.280 nan 0.000 0.530 144 S N 0.322 116.065 115.700 0.072 0.000 2.584 144 S HA 0.048 4.518 4.470 0.001 0.000 0.240 144 S C 1.594 176.161 174.600 -0.055 0.000 0.975 144 S CA 0.532 58.727 58.200 -0.008 0.000 0.949 144 S CB 0.141 63.307 63.200 -0.057 0.000 0.761 144 S HN 0.418 nan 8.310 nan 0.000 0.536 145 A N -0.514 122.272 122.820 -0.058 0.000 2.545 145 A HA 0.701 5.021 4.320 0.001 0.000 0.263 145 A C 1.474 179.032 177.584 -0.043 0.000 1.202 145 A CA 0.254 52.251 52.037 -0.066 0.000 0.959 145 A CB -0.263 18.676 19.000 -0.102 0.000 1.124 145 A HN 1.362 nan 8.150 nan 0.000 0.543 146 G N 0.006 108.787 108.800 -0.031 0.000 2.268 146 G HA2 -0.228 3.733 3.960 0.001 0.000 0.240 146 G HA3 -0.228 3.733 3.960 0.001 0.000 0.240 146 G C 0.240 175.112 174.900 -0.048 0.000 1.010 146 G CA 0.088 45.164 45.100 -0.040 0.000 0.618 146 G HN 0.550 nan 8.290 nan 0.000 0.516 147 I N 2.220 122.765 120.570 -0.041 0.000 2.668 147 I HA 0.267 4.437 4.170 0.001 0.000 0.285 147 I C 0.758 176.881 176.117 0.010 0.000 1.168 147 I CA 0.437 61.708 61.300 -0.048 0.000 1.424 147 I CB 0.363 38.296 38.000 -0.112 0.000 1.377 147 I HN 0.069 nan 8.210 nan 0.000 0.560 148 I N 5.527 126.100 120.570 0.006 0.000 2.441 148 I HA 0.187 4.357 4.170 0.001 0.000 0.295 148 I C 0.914 177.089 176.117 0.097 0.000 0.994 148 I CA -0.548 60.796 61.300 0.073 0.000 1.144 148 I CB 1.889 39.933 38.000 0.074 0.000 1.314 148 I HN 0.623 nan 8.210 nan 0.000 0.445 149 H N 5.328 124.459 119.070 0.102 0.000 2.268 149 H HA 0.042 4.599 4.556 0.001 0.000 0.304 149 H C 0.894 176.246 175.328 0.039 0.000 1.064 149 H CA 1.995 58.078 56.048 0.057 0.000 1.316 149 H CB 0.303 30.117 29.762 0.088 0.000 1.386 149 H HN 0.588 nan 8.280 nan 0.000 0.496 150 R N -1.573 119.101 120.500 0.289 0.000 3.603 150 R HA -0.184 4.157 4.340 0.001 0.000 0.479 150 R C -0.542 175.863 176.300 0.176 0.000 0.745 150 R CA 1.188 57.372 56.100 0.140 0.000 1.476 150 R CB -1.647 28.659 30.300 0.010 0.000 2.147 150 R HN 0.425 nan 8.270 nan 0.000 0.447 151 D N 0.573 121.193 120.400 0.366 0.000 2.945 151 D HA 0.256 4.897 4.640 0.001 0.000 0.369 151 D C -0.813 175.474 176.300 -0.020 0.000 1.294 151 D CA -0.190 53.936 54.000 0.210 0.000 0.778 151 D CB 0.377 41.312 40.800 0.226 0.000 1.188 151 D HN 0.120 nan 8.370 nan 0.000 0.479 152 L N 2.331 123.440 121.223 -0.190 0.000 2.283 152 L HA 0.379 4.719 4.340 0.001 0.000 0.287 152 L C 0.408 177.081 176.870 -0.327 0.000 1.073 152 L CA 0.011 54.631 54.840 -0.367 0.000 0.822 152 L CB 0.390 42.275 42.059 -0.290 0.000 1.186 152 L HN 0.136 nan 8.230 nan 0.000 0.436 153 K N 2.395 122.557 120.400 -0.397 0.000 2.548 153 K HA 0.504 4.825 4.320 0.001 0.000 0.282 153 K C -2.770 173.596 176.600 -0.391 0.000 1.006 153 K CA -1.650 54.237 56.287 -0.666 0.000 0.892 153 K CB 1.408 33.463 32.500 -0.742 0.000 1.499 153 K HN -0.142 nan 8.250 nan 0.000 0.433 154 P HA -0.167 nan 4.420 nan 0.000 0.216 154 P C 0.886 178.120 177.300 -0.111 0.000 1.153 154 P CA 1.583 64.587 63.100 -0.159 0.000 0.858 154 P CB 0.095 31.747 31.700 -0.081 0.000 0.789 155 S N -0.826 114.815 115.700 -0.099 0.000 2.402 155 S HA -0.149 4.321 4.470 0.001 0.000 0.233 155 S C 1.509 176.075 174.600 -0.056 0.000 1.030 155 S CA 1.252 59.421 58.200 -0.051 0.000 1.003 155 S CB -0.845 62.342 63.200 -0.022 0.000 0.813 155 S HN 0.255 nan 8.310 nan 0.000 0.477 156 N N 0.404 119.052 118.700 -0.086 0.000 2.280 156 N HA 0.289 5.029 4.740 0.001 0.000 0.192 156 N C -0.293 175.172 175.510 -0.075 0.000 1.109 156 N CA 0.232 53.244 53.050 -0.063 0.000 0.855 156 N CB 0.396 38.855 38.487 -0.047 0.000 0.974 156 N HN 0.390 nan 8.380 nan 0.000 0.482 157 I N 1.345 121.860 120.570 -0.091 0.000 2.406 157 I HA 0.239 4.409 4.170 0.001 0.000 0.290 157 I C -0.112 175.964 176.117 -0.069 0.000 0.999 157 I CA -1.083 60.165 61.300 -0.087 0.000 1.124 157 I CB 2.006 39.943 38.000 -0.105 0.000 1.289 157 I HN -0.280 nan 8.210 nan 0.000 0.441 158 V N 5.501 125.375 119.914 -0.066 0.000 2.630 158 V HA 0.848 4.969 4.120 0.001 0.000 0.305 158 V C -0.188 175.875 176.094 -0.053 0.000 1.046 158 V CA -0.512 61.756 62.300 -0.053 0.000 0.934 158 V CB 1.664 33.456 31.823 -0.051 0.000 1.003 158 V HN 0.549 nan 8.190 nan 0.000 0.451 159 V N 0.806 120.697 119.914 -0.038 0.000 3.141 159 V HA 0.781 4.902 4.120 0.001 0.000 0.312 159 V C -0.472 175.610 176.094 -0.020 0.000 1.157 159 V CA -0.860 61.421 62.300 -0.031 0.000 1.041 159 V CB 1.747 33.557 31.823 -0.022 0.000 1.071 159 V HN 1.196 nan 8.190 nan 0.000 0.441 160 K N -0.097 120.295 120.400 -0.012 0.000 2.349 160 K HA 0.608 4.929 4.320 0.001 0.000 0.243 160 K C 0.829 177.429 176.600 0.000 0.000 1.058 160 K CA -0.210 56.074 56.287 -0.006 0.000 0.871 160 K CB 2.279 34.776 32.500 -0.005 0.000 1.337 160 K HN 0.727 nan 8.250 nan 0.000 0.469 161 S N 0.809 116.510 115.700 0.001 0.000 2.461 161 S HA -0.113 4.357 4.470 0.001 0.000 0.228 161 S C 0.800 175.399 174.600 -0.001 0.000 1.005 161 S CA 1.109 59.309 58.200 0.000 0.000 0.942 161 S CB -0.194 63.006 63.200 -0.001 0.000 0.776 161 S HN 0.727 nan 8.310 nan 0.000 0.514 162 D N 0.437 120.838 120.400 0.002 0.000 2.378 162 D HA -0.000 4.640 4.640 0.001 0.000 0.227 162 D C 0.429 176.735 176.300 0.009 0.000 1.012 162 D CA -0.035 53.964 54.000 -0.001 0.000 0.905 162 D CB -0.955 39.847 40.800 0.003 0.000 0.895 162 D HN 0.253 nan 8.370 nan 0.000 0.532 163 C N 0.958 120.271 119.300 0.022 0.000 4.388 163 C HA -0.103 4.358 4.460 0.001 0.000 0.310 163 C C 0.084 175.148 174.990 0.123 0.000 1.261 163 C CA 0.826 59.878 59.018 0.057 0.000 2.114 163 C CB -2.791 24.972 27.740 0.039 0.000 1.281 163 C HN 0.706 nan 8.230 nan 0.000 0.706 164 T N 0.696 115.281 114.554 0.053 0.000 2.937 164 T HA 0.614 4.964 4.350 0.001 0.000 0.297 164 T C -0.415 174.256 174.700 -0.048 0.000 0.991 164 T CA -0.293 61.816 62.100 0.016 0.000 0.990 164 T CB 1.544 70.428 68.868 0.026 0.000 0.991 164 T HN 1.442 nan 8.240 nan 0.000 0.440 165 L N 0.583 121.743 121.223 -0.105 0.000 2.376 165 L HA 0.904 5.245 4.340 0.001 0.000 0.267 165 L C -0.949 175.840 176.870 -0.136 0.000 1.035 165 L CA -1.189 53.587 54.840 -0.107 0.000 0.800 165 L CB 1.635 43.629 42.059 -0.109 0.000 1.290 165 L HN 0.683 nan 8.230 nan 0.000 0.462 166 K N 1.646 121.973 120.400 -0.122 0.000 2.557 166 K HA 0.456 4.776 4.320 0.001 0.000 0.257 166 K C -1.291 175.248 176.600 -0.101 0.000 0.933 166 K CA -0.840 55.368 56.287 -0.132 0.000 0.820 166 K CB 2.294 34.723 32.500 -0.118 0.000 1.330 166 K HN 0.396 nan 8.250 nan 0.000 0.432 167 I N 2.720 123.243 120.570 -0.079 0.000 2.938 167 I HA 0.256 4.426 4.170 0.001 0.000 0.285 167 I C 0.456 176.573 176.117 0.000 0.000 1.182 167 I CA 0.008 61.308 61.300 0.000 0.000 1.388 167 I CB 0.035 38.108 38.000 0.121 0.000 1.390 167 I HN 0.641 nan 8.210 nan 0.000 0.600 168 L N 2.024 123.283 121.223 0.060 0.000 2.397 168 L HA 0.417 4.757 4.340 0.001 0.000 0.251 168 L C -1.315 175.589 176.870 0.056 0.000 1.064 168 L CA -0.638 54.170 54.840 -0.054 0.000 0.859 168 L CB 2.018 44.039 42.059 -0.064 0.000 1.468 168 L HN 0.683 nan 8.230 nan 0.000 0.411 169 D N 0.447 120.779 120.400 -0.113 0.000 8.931 169 D HA -0.243 4.398 4.640 0.001 0.000 0.291 169 D C -0.621 175.743 176.300 0.107 0.000 2.461 169 D CA 0.777 54.758 54.000 -0.032 0.000 2.244 169 D CB -0.050 40.794 40.800 0.072 0.000 0.968 169 D HN 0.439 nan 8.370 nan 0.000 0.690 170 F N 2.122 121.974 119.950 -0.163 0.000 2.746 170 F HA 0.349 4.876 4.527 0.001 0.000 0.313 170 F C 2.276 177.951 175.800 -0.207 0.000 1.095 170 F CA 0.465 58.325 58.000 -0.234 0.000 1.224 170 F CB -0.421 38.483 39.000 -0.160 0.000 1.060 170 F HN 0.477 nan 8.300 nan 0.000 0.584 171 G N 1.432 110.240 108.800 0.012 0.000 2.681 171 G HA2 -0.286 3.674 3.960 0.001 0.000 0.220 171 G HA3 -0.286 3.674 3.960 0.001 0.000 0.220 171 G C 1.356 176.208 174.900 -0.080 0.000 1.210 171 G CA 0.862 45.926 45.100 -0.061 0.000 0.783 171 G HN 0.170 nan 8.290 nan 0.000 0.609 172 L N 1.586 122.766 121.223 -0.072 0.000 2.737 172 L HA 0.459 4.799 4.340 0.001 0.000 0.246 172 L C 1.537 178.365 176.870 -0.071 0.000 1.153 172 L CA -0.399 54.405 54.840 -0.060 0.000 0.920 172 L CB -1.264 40.782 42.059 -0.023 0.000 1.090 172 L HN 0.351 nan 8.230 nan 0.000 0.430 173 A N 0.453 123.199 122.820 -0.123 0.000 2.282 173 A HA 0.913 5.234 4.320 0.001 0.000 0.319 173 A C 0.134 177.663 177.584 -0.091 0.000 1.121 173 A CA -0.356 51.590 52.037 -0.150 0.000 0.836 173 A CB 1.022 19.827 19.000 -0.325 0.000 1.146 173 A HN 0.417 nan 8.150 nan 0.000 0.494 174 R N -1.271 119.195 120.500 -0.057 0.000 3.452 174 R HA 0.296 4.637 4.340 0.001 0.000 0.279 174 R C -0.456 175.855 176.300 0.018 0.000 0.955 174 R CA 0.138 56.227 56.100 -0.018 0.000 0.835 174 R CB -0.605 29.706 30.300 0.018 0.000 1.357 174 R HN 0.812 nan 8.270 nan 0.000 0.536 175 T N 0.110 114.671 114.554 0.011 0.000 2.795 175 T HA 0.482 4.833 4.350 0.001 0.000 0.314 175 T C 0.847 175.558 174.700 0.018 0.000 1.069 175 T CA 0.457 62.558 62.100 0.001 0.000 1.071 175 T CB 0.092 68.956 68.868 -0.007 0.000 0.988 175 T HN 0.916 nan 8.240 nan 0.000 0.543 176 A N 1.483 124.283 122.820 -0.035 0.000 2.552 176 A HA 0.535 4.856 4.320 0.001 0.000 0.241 176 A C 0.923 178.384 177.584 -0.204 0.000 1.103 176 A CA 0.441 52.397 52.037 -0.136 0.000 0.789 176 A CB -0.790 18.111 19.000 -0.165 0.000 1.050 176 A HN 1.418 nan 8.150 nan 0.000 0.515 177 G N -1.781 106.714 108.800 -0.508 0.000 2.490 177 G HA2 0.620 4.580 3.960 0.001 0.000 0.308 177 G HA3 0.620 4.580 3.960 0.001 0.000 0.308 177 G C -0.769 173.844 174.900 -0.479 0.000 1.286 177 G CA 0.236 45.119 45.100 -0.362 0.000 0.825 177 G HN 1.283 nan 8.290 nan 0.000 0.479 178 T N -1.269 113.174 114.554 -0.185 0.000 2.926 178 T HA 0.769 5.119 4.350 0.001 0.000 0.289 178 T C 0.528 175.275 174.700 0.078 0.000 1.054 178 T CA 0.355 62.403 62.100 -0.087 0.000 1.015 178 T CB 1.370 70.212 68.868 -0.044 0.000 1.167 178 T HN 2.206 nan 8.240 nan 0.000 0.526 179 S N -0.630 115.139 115.700 0.115 0.000 3.109 179 S HA -0.201 4.269 4.470 0.001 0.000 0.632 179 S C 0.263 175.041 174.600 0.295 0.000 2.927 179 S CA 0.257 58.596 58.200 0.231 0.000 3.233 179 S CB -1.533 61.799 63.200 0.220 0.000 0.325 179 S HN 0.574 nan 8.310 nan 0.000 1.720 180 F N 1.802 121.793 119.950 0.068 0.000 2.185 180 F HA 0.347 4.875 4.527 0.001 0.000 0.272 180 F C 1.104 176.940 175.800 0.059 0.000 1.200 180 F CA 0.730 58.762 58.000 0.054 0.000 1.257 180 F CB 0.199 39.204 39.000 0.008 0.000 1.570 180 F HN 0.668 nan 8.300 nan 0.000 0.493 181 M N 0.759 120.497 119.600 0.229 0.000 2.197 181 M HA 0.526 5.006 4.480 0.001 0.000 0.301 181 M C -1.580 174.777 176.300 0.095 0.000 0.987 181 M CA -0.931 54.433 55.300 0.107 0.000 0.921 181 M CB 1.749 34.363 32.600 0.023 0.000 1.569 181 M HN 0.281 nan 8.290 nan 0.000 0.431 182 M N 3.072 122.715 119.600 0.072 0.000 2.217 182 M HA 0.193 4.673 4.480 0.001 0.000 0.352 182 M C 0.199 176.515 176.300 0.026 0.000 1.376 182 M CA 1.215 56.543 55.300 0.047 0.000 1.107 182 M CB 0.128 32.756 32.600 0.047 0.000 1.723 182 M HN 0.913 nan 8.290 nan 0.000 0.461 183 E N 2.688 122.897 120.200 0.015 0.000 2.271 183 E HA -0.149 4.201 4.350 0.001 0.000 0.215 183 E C -1.942 174.657 176.600 -0.002 0.000 1.256 183 E CA -0.027 56.377 56.400 0.007 0.000 0.678 183 E CB -0.281 29.428 29.700 0.014 0.000 1.187 183 E HN 0.551 nan 8.360 nan 0.000 0.392 184 P HA -0.229 nan 4.420 nan 0.000 0.215 184 P C 0.671 177.984 177.300 0.021 0.000 1.153 184 P CA 1.919 65.017 63.100 -0.003 0.000 0.853 184 P CB 0.029 31.678 31.700 -0.085 0.000 0.788 185 E N -0.138 120.066 120.200 0.006 0.000 2.492 185 E HA -0.083 4.267 4.350 0.001 0.000 0.204 185 E C 1.883 178.494 176.600 0.019 0.000 1.073 185 E CA 0.318 56.730 56.400 0.020 0.000 0.887 185 E CB -1.288 28.418 29.700 0.011 0.000 0.813 185 E HN 0.166 nan 8.360 nan 0.000 0.562 186 V N -0.080 119.839 119.914 0.009 0.000 2.599 186 V HA 0.020 4.140 4.120 0.001 0.000 0.245 186 V C 0.739 176.845 176.094 0.019 0.000 1.046 186 V CA 0.315 62.613 62.300 -0.003 0.000 1.065 186 V CB 0.501 32.303 31.823 -0.036 0.000 0.703 186 V HN 0.134 nan 8.190 nan 0.000 0.464 187 V N 1.612 121.546 119.914 0.033 0.000 2.583 187 V HA 0.213 4.333 4.120 0.001 0.000 0.287 187 V C 0.471 176.614 176.094 0.081 0.000 1.051 187 V CA -0.061 62.274 62.300 0.058 0.000 1.010 187 V CB 1.223 33.077 31.823 0.050 0.000 0.988 187 V HN 0.475 nan 8.190 nan 0.000 0.478 188 T N 6.189 120.816 114.554 0.121 0.000 2.779 188 T HA 0.126 4.476 4.350 0.001 0.000 0.296 188 T C 1.217 175.982 174.700 0.109 0.000 0.938 188 T CA -0.129 62.057 62.100 0.143 0.000 1.119 188 T CB 0.591 69.624 68.868 0.276 0.000 0.891 188 T HN 0.712 nan 8.240 nan 0.000 0.526 189 R N 2.461 122.912 120.500 -0.081 0.000 2.136 189 R HA -0.233 4.107 4.340 0.001 0.000 0.242 189 R C 1.386 177.576 176.300 -0.183 0.000 1.131 189 R CA 2.113 58.094 56.100 -0.198 0.000 0.937 189 R CB -0.519 29.541 30.300 -0.399 0.000 0.863 189 R HN 0.712 nan 8.270 nan 0.000 0.435 190 Y N -0.948 119.338 120.300 -0.024 0.000 2.228 190 Y HA -0.233 4.317 4.550 0.001 0.000 0.285 190 Y C 1.248 176.912 175.900 -0.394 0.000 1.178 190 Y CA 1.251 59.179 58.100 -0.287 0.000 1.202 190 Y CB -0.452 37.647 38.460 -0.601 0.000 0.974 190 Y HN 0.260 nan 8.280 nan 0.000 0.527 191 Y N -0.860 119.618 120.300 0.296 0.000 2.681 191 Y HA 0.313 4.863 4.550 0.001 0.000 0.267 191 Y C 0.456 176.551 175.900 0.326 0.000 1.166 191 Y CA -1.009 57.283 58.100 0.320 0.000 1.209 191 Y CB -0.054 38.533 38.460 0.213 0.000 1.161 191 Y HN -0.237 nan 8.280 nan 0.000 0.534 192 R N 1.419 122.095 120.500 0.293 0.000 2.298 192 R HA 0.560 4.900 4.340 0.001 0.000 0.310 192 R C 0.253 176.522 176.300 -0.052 0.000 1.068 192 R CA -0.342 55.831 56.100 0.122 0.000 0.957 192 R CB 0.842 31.142 30.300 -0.001 0.000 1.003 192 R HN 0.248 nan 8.270 nan 0.000 0.454 193 A N 5.249 127.936 122.820 -0.222 0.000 2.351 193 A HA 0.241 4.561 4.320 0.001 0.000 0.257 193 A C -1.603 175.621 177.584 -0.600 0.000 1.087 193 A CA -1.397 50.146 52.037 -0.823 0.000 0.798 193 A CB 0.230 19.025 19.000 -0.342 0.000 1.033 193 A HN 0.502 nan 8.150 nan 0.000 0.488 194 P HA -0.210 nan 4.420 nan 0.000 0.216 194 P C 0.929 178.118 177.300 -0.185 0.000 1.153 194 P CA 1.640 64.567 63.100 -0.288 0.000 0.858 194 P CB 0.073 31.700 31.700 -0.123 0.000 0.789 195 E N -0.307 119.816 120.200 -0.128 0.000 2.357 195 E HA -0.024 4.326 4.350 0.001 0.000 0.194 195 E C 0.694 177.224 176.600 -0.116 0.000 1.177 195 E CA 0.530 56.892 56.400 -0.063 0.000 0.998 195 E CB -0.620 29.104 29.700 0.041 0.000 1.106 195 E HN 0.148 nan 8.360 nan 0.000 0.470 196 V N -0.145 119.646 119.914 -0.204 0.000 3.165 196 V HA 0.032 4.152 4.120 0.001 0.000 0.231 196 V C 2.112 178.046 176.094 -0.267 0.000 1.365 196 V CA -0.034 62.125 62.300 -0.234 0.000 1.286 196 V CB -0.071 31.635 31.823 -0.195 0.000 1.081 196 V HN 0.168 nan 8.190 nan 0.000 0.477 197 I N 0.825 121.247 120.570 -0.246 0.000 2.208 197 I HA -0.200 3.970 4.170 0.001 0.000 0.245 197 I C 1.616 177.574 176.117 -0.266 0.000 1.097 197 I CA 1.914 63.051 61.300 -0.272 0.000 1.363 197 I CB -0.062 37.761 38.000 -0.294 0.000 1.051 197 I HN 0.263 nan 8.210 nan 0.000 0.413 198 L N 0.591 121.603 121.223 -0.353 0.000 2.741 198 L HA 0.327 4.668 4.340 0.001 0.000 0.237 198 L C 0.992 177.584 176.870 -0.463 0.000 1.178 198 L CA -0.212 54.423 54.840 -0.341 0.000 0.973 198 L CB -0.327 41.528 42.059 -0.340 0.000 1.255 198 L HN 0.325 nan 8.230 nan 0.000 0.498 199 G N 1.418 109.705 108.800 -0.855 0.000 2.369 199 G HA2 -0.301 3.659 3.960 0.001 0.000 0.286 199 G HA3 -0.301 3.659 3.960 0.001 0.000 0.286 199 G C 0.507 175.298 174.900 -0.181 0.000 0.938 199 G CA 0.372 44.957 45.100 -0.858 0.000 1.271 199 G HN 0.455 nan 8.290 nan 0.000 0.488 200 M N 0.648 120.181 119.600 -0.111 0.000 2.419 200 M HA 0.315 4.796 4.480 0.001 0.000 0.252 200 M C 1.345 177.657 176.300 0.020 0.000 1.143 200 M CA 0.634 55.909 55.300 -0.041 0.000 0.985 200 M CB 0.303 32.859 32.600 -0.073 0.000 1.489 200 M HN 1.355 nan 8.290 nan 0.000 0.484 201 G N 1.658 110.514 108.800 0.094 0.000 2.778 201 G HA2 -0.246 3.714 3.960 0.001 0.000 0.686 201 G HA3 -0.246 3.714 3.960 0.001 0.000 0.686 201 G C -1.155 173.777 174.900 0.052 0.000 1.309 201 G CA -0.567 44.539 45.100 0.010 0.000 0.904 201 G HN 0.583 nan 8.290 nan 0.000 0.593 202 Y N -1.461 118.829 120.300 -0.016 0.000 2.644 202 Y HA 0.880 5.430 4.550 0.001 0.000 0.338 202 Y C 0.162 176.055 175.900 -0.012 0.000 1.119 202 Y CA -1.387 56.706 58.100 -0.011 0.000 1.060 202 Y CB 1.048 39.501 38.460 -0.011 0.000 1.294 202 Y HN 0.685 nan 8.280 nan 0.000 0.472 203 K N -0.069 120.388 120.400 0.096 0.000 2.296 203 K HA 0.249 4.570 4.320 0.001 0.000 0.243 203 K C 0.655 177.291 176.600 0.059 0.000 1.082 203 K CA -0.344 55.953 56.287 0.016 0.000 0.929 203 K CB 1.176 33.681 32.500 0.009 0.000 1.353 203 K HN 0.874 nan 8.250 nan 0.000 0.536 204 E N 0.616 120.770 120.200 -0.076 0.000 2.216 204 E HA -0.169 4.181 4.350 0.001 0.000 0.192 204 E C 0.994 177.559 176.600 -0.059 0.000 0.988 204 E CA 0.935 57.160 56.400 -0.293 0.000 0.834 204 E CB -0.174 29.075 29.700 -0.753 0.000 0.772 204 E HN 0.512 nan 8.360 nan 0.000 0.479 205 N N 1.993 120.733 118.700 0.066 0.000 2.551 205 N HA -0.088 4.652 4.740 0.001 0.000 0.199 205 N C 1.279 176.910 175.510 0.201 0.000 1.277 205 N CA 0.307 53.459 53.050 0.171 0.000 0.870 205 N CB 0.765 39.337 38.487 0.141 0.000 1.028 205 N HN 0.196 nan 8.380 nan 0.000 0.452 206 V N 0.213 120.243 119.914 0.193 0.000 2.725 206 V HA -0.051 4.069 4.120 0.001 0.000 0.247 206 V C 1.334 177.574 176.094 0.243 0.000 1.058 206 V CA 1.170 63.592 62.300 0.202 0.000 1.080 206 V CB -0.228 31.693 31.823 0.163 0.000 0.713 206 V HN 0.139 nan 8.190 nan 0.000 0.465 207 D N 0.049 120.600 120.400 0.251 0.000 2.264 207 D HA -0.100 4.540 4.640 0.001 0.000 0.208 207 D C 1.899 178.328 176.300 0.216 0.000 0.966 207 D CA 1.051 55.196 54.000 0.241 0.000 0.864 207 D CB 0.077 41.055 40.800 0.296 0.000 0.933 207 D HN 0.384 nan 8.370 nan 0.000 0.499 208 L N 0.274 121.638 121.223 0.234 0.000 2.291 208 L HA -0.072 4.268 4.340 0.001 0.000 0.214 208 L C 2.177 179.170 176.870 0.204 0.000 1.120 208 L CA 0.633 55.582 54.840 0.181 0.000 0.799 208 L CB -0.146 42.014 42.059 0.169 0.000 0.925 208 L HN 0.228 nan 8.230 nan 0.000 0.446 209 W N -0.078 121.294 121.300 0.119 0.000 2.381 209 W HA -0.158 4.502 4.660 0.001 0.000 0.301 209 W C 2.192 178.813 176.519 0.170 0.000 1.205 209 W CA 1.537 58.967 57.345 0.142 0.000 1.285 209 W CB -0.216 29.326 29.460 0.136 0.000 1.133 209 W HN 0.143 nan 8.180 nan 0.000 0.521 210 S N 1.091 116.997 115.700 0.344 0.000 2.383 210 S HA -0.167 4.303 4.470 0.001 0.000 0.227 210 S C 1.887 176.558 174.600 0.119 0.000 1.026 210 S CA 1.571 59.941 58.200 0.283 0.000 0.981 210 S CB -0.746 62.604 63.200 0.251 0.000 0.818 210 S HN 0.123 nan 8.310 nan 0.000 0.472 211 V N 1.997 121.950 119.914 0.064 0.000 2.343 211 V HA -0.124 3.996 4.120 0.001 0.000 0.247 211 V C 2.688 178.762 176.094 -0.034 0.000 1.051 211 V CA 1.920 64.223 62.300 0.004 0.000 1.036 211 V CB -1.574 30.250 31.823 0.003 0.000 0.654 211 V HN 0.586 nan 8.190 nan 0.000 0.451 212 G N -1.419 107.337 108.800 -0.073 0.000 2.422 212 G HA2 -0.273 3.688 3.960 0.001 0.000 0.218 212 G HA3 -0.273 3.688 3.960 0.001 0.000 0.218 212 G C 1.727 176.529 174.900 -0.162 0.000 1.146 212 G CA 1.267 46.281 45.100 -0.144 0.000 0.769 212 G HN 0.524 nan 8.290 nan 0.000 0.547 213 C N 0.155 119.359 119.300 -0.159 0.000 2.422 213 C HA 0.112 4.573 4.460 0.001 0.000 0.279 213 C C 2.812 177.825 174.990 0.039 0.000 1.305 213 C CA 0.363 59.326 59.018 -0.092 0.000 1.757 213 C CB -0.796 26.995 27.740 0.086 0.000 1.962 213 C HN 0.473 nan 8.230 nan 0.000 0.499 214 I N -0.003 120.610 120.570 0.072 0.000 2.339 214 I HA -0.173 3.997 4.170 0.001 0.000 0.245 214 I C 2.562 178.663 176.117 -0.027 0.000 1.096 214 I CA 1.280 62.611 61.300 0.051 0.000 1.408 214 I CB -0.554 37.440 38.000 -0.010 0.000 1.092 214 I HN 0.300 nan 8.210 nan 0.000 0.423 215 M N 1.012 120.578 119.600 -0.058 0.000 2.267 215 M HA -0.126 4.354 4.480 0.001 0.000 0.263 215 M C 1.883 178.100 176.300 -0.139 0.000 1.063 215 M CA 2.007 57.255 55.300 -0.088 0.000 1.090 215 M CB -0.283 32.255 32.600 -0.105 0.000 1.392 215 M HN 0.245 nan 8.290 nan 0.000 0.422 216 G N -0.536 108.185 108.800 -0.132 0.000 2.494 216 G HA2 -0.146 3.815 3.960 0.001 0.000 0.216 216 G HA3 -0.146 3.815 3.960 0.001 0.000 0.216 216 G C 1.311 176.168 174.900 -0.072 0.000 1.140 216 G CA 0.420 45.471 45.100 -0.082 0.000 0.801 216 G HN 0.617 nan 8.290 nan 0.000 0.536 217 E N -0.465 119.673 120.200 -0.103 0.000 2.250 217 E HA 0.118 4.468 4.350 0.001 0.000 0.192 217 E C 2.304 178.809 176.600 -0.157 0.000 0.986 217 E CA -0.040 56.289 56.400 -0.118 0.000 0.849 217 E CB -0.045 29.630 29.700 -0.042 0.000 0.797 217 E HN 0.368 nan 8.360 nan 0.000 0.482 218 M N -0.012 119.505 119.600 -0.139 0.000 2.254 218 M HA -0.115 4.366 4.480 0.001 0.000 0.265 218 M C 1.980 178.085 176.300 -0.324 0.000 1.066 218 M CA 0.891 56.101 55.300 -0.150 0.000 1.123 218 M CB 0.350 32.907 32.600 -0.071 0.000 1.388 218 M HN 0.039 nan 8.290 nan 0.000 0.425 219 V N -1.652 118.070 119.914 -0.321 0.000 2.788 219 V HA -0.180 3.940 4.120 0.001 0.000 0.251 219 V C 1.756 177.511 176.094 -0.565 0.000 1.068 219 V CA 1.110 63.159 62.300 -0.419 0.000 1.090 219 V CB -0.205 31.388 31.823 -0.384 0.000 0.710 219 V HN 0.558 nan 8.190 nan 0.000 0.467 220 C N -1.167 117.843 119.300 -0.482 0.000 3.019 220 C HA 0.268 4.729 4.460 0.001 0.000 0.295 220 C C 1.345 176.138 174.990 -0.330 0.000 1.256 220 C CA -0.113 58.686 59.018 -0.365 0.000 1.706 220 C CB -0.644 26.967 27.740 -0.216 0.000 2.153 220 C HN 0.756 nan 8.230 nan 0.000 0.618 221 H N 0.034 119.054 119.070 -0.084 0.000 3.080 221 H HA -0.132 4.424 4.556 0.001 0.000 0.254 221 H C 0.038 175.315 175.328 -0.085 0.000 1.179 221 H CA 1.322 57.326 56.048 -0.072 0.000 1.144 221 H CB -1.669 28.052 29.762 -0.068 0.000 1.261 221 H HN 0.578 nan 8.280 nan 0.000 0.333 222 K N 0.012 120.366 120.400 -0.076 0.000 2.508 222 K HA 0.524 4.845 4.320 0.001 0.000 0.260 222 K C 0.281 176.778 176.600 -0.172 0.000 0.949 222 K CA -0.939 55.282 56.287 -0.111 0.000 0.834 222 K CB 2.553 34.982 32.500 -0.118 0.000 1.365 222 K HN -0.083 nan 8.250 nan 0.000 0.437 223 I N 3.246 123.686 120.570 -0.216 0.000 2.618 223 I HA -0.155 4.015 4.170 0.001 0.000 0.284 223 I C 1.421 177.336 176.117 -0.336 0.000 1.146 223 I CA -0.027 61.095 61.300 -0.297 0.000 1.425 223 I CB 0.536 38.264 38.000 -0.453 0.000 1.383 223 I HN 0.502 nan 8.210 nan 0.000 0.562 224 L N 8.173 129.130 121.223 -0.443 0.000 2.046 224 L HA -0.055 4.285 4.340 0.001 0.000 0.208 224 L C 0.214 176.577 176.870 -0.844 0.000 1.077 224 L CA 1.944 56.333 54.840 -0.753 0.000 0.747 224 L CB -0.501 40.925 42.059 -1.054 0.000 0.896 224 L HN 0.382 nan 8.230 nan 0.000 0.432 225 F N -1.023 118.857 119.950 -0.117 0.000 2.810 225 F HA 0.387 4.914 4.527 0.001 0.000 0.373 225 F C -1.655 174.154 175.800 0.016 0.000 1.174 225 F CA -2.587 55.381 58.000 -0.053 0.000 1.141 225 F CB 0.371 39.376 39.000 0.008 0.000 1.420 225 F HN -0.126 nan 8.300 nan 0.000 0.518 226 P HA 0.016 nan 4.420 nan 0.000 0.207 226 P C 0.292 177.808 177.300 0.359 0.000 0.938 226 P CA 1.680 64.856 63.100 0.128 0.000 0.948 226 P CB 0.053 31.782 31.700 0.048 0.000 0.643 227 G N -1.334 107.591 108.800 0.209 0.000 3.436 227 G HA2 -0.158 3.803 3.960 0.001 0.000 0.685 227 G HA3 -0.158 3.803 3.960 0.001 0.000 0.685 227 G C 0.330 175.321 174.900 0.151 0.000 1.039 227 G CA -0.580 44.614 45.100 0.156 0.000 0.879 227 G HN 0.144 nan 8.290 nan 0.000 0.478 228 R N 0.884 121.445 120.500 0.103 0.000 2.276 228 R HA 0.100 4.440 4.340 0.001 0.000 0.203 228 R C 0.768 177.111 176.300 0.073 0.000 1.017 228 R CA 1.690 57.845 56.100 0.092 0.000 1.010 228 R CB 0.028 30.374 30.300 0.077 0.000 0.900 228 R HN 0.929 nan 8.270 nan 0.000 0.469 229 D N -4.513 115.924 120.400 0.060 0.000 2.764 229 D HA -0.100 4.540 4.640 0.001 0.000 0.293 229 D C 0.278 176.620 176.300 0.070 0.000 1.287 229 D CA -0.770 53.270 54.000 0.068 0.000 0.768 229 D CB -0.183 40.669 40.800 0.087 0.000 1.288 229 D HN -0.184 nan 8.370 nan 0.000 0.426 230 Y N 0.277 120.581 120.300 0.006 0.000 2.173 230 Y HA -0.181 4.369 4.550 0.001 0.000 0.282 230 Y C 1.511 177.439 175.900 0.048 0.000 1.192 230 Y CA 2.034 60.141 58.100 0.011 0.000 1.176 230 Y CB -0.168 38.299 38.460 0.010 0.000 0.969 230 Y HN 0.497 nan 8.280 nan 0.000 0.519 231 I N -0.794 119.841 120.570 0.109 0.000 2.703 231 I HA -0.126 4.044 4.170 0.001 0.000 0.259 231 I C 1.808 178.000 176.117 0.124 0.000 1.151 231 I CA 1.152 62.516 61.300 0.107 0.000 1.470 231 I CB -0.183 37.921 38.000 0.173 0.000 1.112 231 I HN 0.066 nan 8.210 nan 0.000 0.437 232 D N 0.305 120.765 120.400 0.100 0.000 2.348 232 D HA -0.217 4.423 4.640 0.001 0.000 0.216 232 D C 2.019 178.358 176.300 0.064 0.000 0.970 232 D CA 0.706 54.766 54.000 0.100 0.000 0.889 232 D CB 0.165 41.016 40.800 0.085 0.000 0.912 232 D HN 0.130 nan 8.370 nan 0.000 0.524 233 Q N -0.507 119.305 119.800 0.020 0.000 2.135 233 Q HA -0.145 4.195 4.340 0.001 0.000 0.204 233 Q C 1.856 177.867 176.000 0.019 0.000 0.981 233 Q CA 1.424 57.225 55.803 -0.003 0.000 0.856 233 Q CB -0.609 28.066 28.738 -0.104 0.000 0.902 233 Q HN 0.594 nan 8.270 nan 0.000 0.425 234 W N 0.452 121.657 121.300 -0.159 0.000 2.407 234 W HA -0.096 4.564 4.660 0.001 0.000 0.305 234 W C 1.169 177.585 176.519 -0.172 0.000 1.196 234 W CA 1.283 58.525 57.345 -0.171 0.000 1.311 234 W CB -0.298 29.096 29.460 -0.110 0.000 1.135 234 W HN 0.236 nan 8.180 nan 0.000 0.514 235 N N 0.720 119.413 118.700 -0.012 0.000 2.513 235 N HA -0.164 4.576 4.740 0.001 0.000 0.187 235 N C 1.372 176.691 175.510 -0.319 0.000 1.056 235 N CA 1.004 53.948 53.050 -0.177 0.000 0.907 235 N CB -0.044 38.450 38.487 0.011 0.000 0.954 235 N HN 0.126 nan 8.380 nan 0.000 0.445 236 K N 0.430 120.690 120.400 -0.233 0.000 2.202 236 K HA 0.109 4.430 4.320 0.001 0.000 0.201 236 K C 2.096 178.515 176.600 -0.302 0.000 1.051 236 K CA 0.275 56.454 56.287 -0.179 0.000 0.977 236 K CB -0.408 32.094 32.500 0.003 0.000 0.792 236 K HN -0.029 nan 8.250 nan 0.000 0.469 237 V N 2.880 122.476 119.914 -0.531 0.000 2.379 237 V HA -0.161 3.959 4.120 0.001 0.000 0.245 237 V C 2.282 177.944 176.094 -0.720 0.000 1.044 237 V CA 1.554 63.370 62.300 -0.806 0.000 1.036 237 V CB -0.610 30.714 31.823 -0.833 0.000 0.664 237 V HN 0.287 nan 8.190 nan 0.000 0.453 238 I N -1.571 118.444 120.570 -0.925 0.000 2.830 238 I HA -0.059 4.111 4.170 0.001 0.000 0.263 238 I C 2.115 177.792 176.117 -0.733 0.000 1.230 238 I CA 1.582 62.384 61.300 -0.831 0.000 1.480 238 I CB -0.388 37.073 38.000 -0.899 0.000 1.095 238 I HN 0.328 nan 8.210 nan 0.000 0.455 239 E N 0.470 120.177 120.200 -0.822 0.000 2.318 239 E HA -0.111 4.239 4.350 0.001 0.000 0.193 239 E C 1.939 178.280 176.600 -0.432 0.000 0.998 239 E CA 0.381 56.308 56.400 -0.790 0.000 0.859 239 E CB 0.279 29.555 29.700 -0.708 0.000 0.812 239 E HN 0.532 nan 8.360 nan 0.000 0.492 240 Q N -0.234 119.400 119.800 -0.277 0.000 2.200 240 Q HA 0.065 4.405 4.340 0.001 0.000 0.197 240 Q C 2.252 178.170 176.000 -0.138 0.000 0.953 240 Q CA 0.620 56.372 55.803 -0.085 0.000 0.851 240 Q CB 0.126 28.931 28.738 0.111 0.000 0.938 240 Q HN 0.326 nan 8.270 nan 0.000 0.488 241 L N -0.482 120.646 121.223 -0.159 0.000 2.307 241 L HA 0.234 4.574 4.340 0.001 0.000 0.211 241 L C 0.831 177.625 176.870 -0.126 0.000 1.099 241 L CA 0.545 55.331 54.840 -0.090 0.000 0.816 241 L CB -0.187 41.847 42.059 -0.042 0.000 0.952 241 L HN 0.249 nan 8.230 nan 0.000 0.455 242 G N 0.065 108.732 108.800 -0.222 0.000 2.629 242 G HA2 -0.173 3.787 3.960 0.001 0.000 0.686 242 G HA3 -0.173 3.787 3.960 0.001 0.000 0.686 242 G C -0.319 174.491 174.900 -0.149 0.000 1.232 242 G CA -0.798 44.211 45.100 -0.152 0.000 0.803 242 G HN -0.074 nan 8.290 nan 0.000 0.638 243 T N 4.080 118.609 114.554 -0.042 0.000 2.902 243 T HA 0.453 4.803 4.350 0.001 0.000 0.301 243 T C -0.962 173.738 174.700 0.000 0.000 1.012 243 T CA 0.424 62.522 62.100 -0.004 0.000 1.151 243 T CB 0.930 69.835 68.868 0.060 0.000 0.946 243 T HN 0.700 nan 8.240 nan 0.000 0.542 244 P HA 0.216 nan 4.420 nan 0.000 0.274 244 P C 0.227 177.599 177.300 0.120 0.000 1.246 244 P CA -0.695 62.423 63.100 0.030 0.000 0.795 244 P CB 0.368 32.033 31.700 -0.059 0.000 1.006 245 C N -0.210 119.159 119.300 0.115 0.000 2.657 245 C HA 0.250 4.710 4.460 0.001 0.000 0.404 245 C C -1.102 173.991 174.990 0.171 0.000 1.291 245 C CA -1.342 57.749 59.018 0.121 0.000 2.218 245 C CB -0.461 27.337 27.740 0.096 0.000 2.687 245 C HN 0.392 nan 8.230 nan 0.000 0.634 246 P HA -0.176 nan 4.420 nan 0.000 0.218 246 P C 1.611 178.969 177.300 0.097 0.000 1.146 246 P CA 1.674 64.833 63.100 0.099 0.000 0.813 246 P CB -0.133 31.605 31.700 0.063 0.000 0.778 247 E N -1.680 118.585 120.200 0.109 0.000 2.160 247 E HA -0.217 4.134 4.350 0.001 0.000 0.195 247 E C 1.667 178.339 176.600 0.120 0.000 0.991 247 E CA 0.862 57.319 56.400 0.096 0.000 0.810 247 E CB -0.381 29.380 29.700 0.101 0.000 0.742 247 E HN 0.178 nan 8.360 nan 0.000 0.466 248 F N 1.012 120.985 119.950 0.039 0.000 2.094 248 F HA -0.156 4.372 4.527 0.001 0.000 0.291 248 F C 2.214 178.033 175.800 0.032 0.000 1.109 248 F CA 1.210 59.236 58.000 0.043 0.000 1.221 248 F CB -0.277 38.764 39.000 0.069 0.000 1.014 248 F HN -0.028 nan 8.300 nan 0.000 0.473 249 M N 0.596 120.222 119.600 0.043 0.000 2.143 249 M HA -0.271 4.210 4.480 0.001 0.000 0.258 249 M C 1.888 178.106 176.300 -0.137 0.000 1.071 249 M CA 1.667 56.931 55.300 -0.059 0.000 1.088 249 M CB -1.540 31.099 32.600 0.064 0.000 1.360 249 M HN 0.207 nan 8.290 nan 0.000 0.404 250 K N 0.359 120.705 120.400 -0.089 0.000 2.362 250 K HA -0.089 4.231 4.320 0.001 0.000 0.200 250 K C 1.663 178.189 176.600 -0.123 0.000 1.046 250 K CA 0.757 56.997 56.287 -0.079 0.000 0.952 250 K CB -0.030 32.450 32.500 -0.033 0.000 0.753 250 K HN 0.439 nan 8.250 nan 0.000 0.466 251 K N 0.557 120.829 120.400 -0.213 0.000 2.444 251 K HA 0.102 4.422 4.320 0.001 0.000 0.193 251 K C 0.256 176.709 176.600 -0.245 0.000 1.024 251 K CA 0.117 56.275 56.287 -0.216 0.000 1.077 251 K CB 0.156 32.510 32.500 -0.243 0.000 0.833 251 K HN 0.054 nan 8.250 nan 0.000 0.517 252 L N 1.927 122.986 121.223 -0.273 0.000 2.375 252 L HA 0.115 4.456 4.340 0.001 0.000 0.271 252 L C 0.485 177.291 176.870 -0.107 0.000 1.107 252 L CA -0.548 54.162 54.840 -0.218 0.000 0.806 252 L CB 0.809 42.728 42.059 -0.234 0.000 1.146 252 L HN 0.087 nan 8.230 nan 0.000 0.447 253 Q N 2.941 122.707 119.800 -0.056 0.000 2.428 253 Q HA -0.017 4.323 4.340 0.001 0.000 0.276 253 Q C -1.548 174.439 176.000 -0.021 0.000 1.059 253 Q CA -1.119 54.672 55.803 -0.019 0.000 0.923 253 Q CB 0.226 28.978 28.738 0.024 0.000 1.283 253 Q HN 0.360 nan 8.270 nan 0.000 0.447 254 P HA -0.280 nan 4.420 nan 0.000 0.215 254 P C 1.363 178.662 177.300 -0.002 0.000 1.163 254 P CA 1.751 64.844 63.100 -0.012 0.000 0.894 254 P CB -0.003 31.689 31.700 -0.013 0.000 0.791 255 T N -1.680 112.873 114.554 -0.001 0.000 2.777 255 T HA -0.095 4.256 4.350 0.001 0.000 0.266 255 T C 1.745 176.465 174.700 0.033 0.000 1.040 255 T CA 1.236 63.340 62.100 0.007 0.000 1.141 255 T CB -0.870 67.989 68.868 -0.015 0.000 0.868 255 T HN -0.227 nan 8.240 nan 0.000 0.444 256 V N 1.714 121.651 119.914 0.039 0.000 2.283 256 V HA -0.043 4.078 4.120 0.001 0.000 0.243 256 V C 2.764 178.884 176.094 0.045 0.000 1.039 256 V CA 2.212 64.551 62.300 0.064 0.000 1.016 256 V CB -0.750 31.105 31.823 0.053 0.000 0.650 256 V HN 0.496 nan 8.190 nan 0.000 0.449 257 R N 0.031 120.527 120.500 -0.006 0.000 2.134 257 R HA -0.268 4.072 4.340 0.001 0.000 0.248 257 R C 2.238 178.550 176.300 0.019 0.000 1.143 257 R CA 2.584 58.671 56.100 -0.022 0.000 0.957 257 R CB -0.777 29.502 30.300 -0.035 0.000 0.867 257 R HN 0.537 nan 8.270 nan 0.000 0.441 258 T N 0.091 114.670 114.554 0.043 0.000 2.699 258 T HA -0.228 4.123 4.350 0.001 0.000 0.268 258 T C 1.333 176.099 174.700 0.110 0.000 1.036 258 T CA 1.679 63.817 62.100 0.063 0.000 1.147 258 T CB -0.526 68.379 68.868 0.062 0.000 0.862 258 T HN 0.415 nan 8.240 nan 0.000 0.446 259 Y N 2.123 122.423 120.300 0.001 0.000 2.114 259 Y HA -0.143 4.408 4.550 0.001 0.000 0.284 259 Y C 2.324 178.246 175.900 0.036 0.000 1.143 259 Y CA 0.492 58.600 58.100 0.015 0.000 1.135 259 Y CB -0.916 37.544 38.460 -0.001 0.000 0.980 259 Y HN -0.003 nan 8.280 nan 0.000 0.499 260 V N 0.857 120.699 119.914 -0.120 0.000 2.252 260 V HA -0.356 3.764 4.120 0.001 0.000 0.249 260 V C 2.175 178.253 176.094 -0.027 0.000 1.056 260 V CA 2.490 64.700 62.300 -0.150 0.000 1.022 260 V CB -0.803 30.969 31.823 -0.086 0.000 0.641 260 V HN 0.411 nan 8.190 nan 0.000 0.445 261 E N -0.206 119.999 120.200 0.007 0.000 2.409 261 E HA -0.143 4.207 4.350 0.001 0.000 0.198 261 E C 1.805 178.410 176.600 0.008 0.000 1.024 261 E CA 0.441 56.859 56.400 0.030 0.000 0.861 261 E CB -0.146 29.573 29.700 0.031 0.000 0.788 261 E HN 0.524 nan 8.360 nan 0.000 0.521 262 N N 0.473 119.161 118.700 -0.021 0.000 2.422 262 N HA -0.011 4.730 4.740 0.001 0.000 0.181 262 N C 0.337 175.824 175.510 -0.040 0.000 1.080 262 N CA 0.237 53.281 53.050 -0.011 0.000 0.893 262 N CB 0.378 38.892 38.487 0.044 0.000 0.973 262 N HN 0.001 nan 8.380 nan 0.000 0.456 263 R N 1.185 121.630 120.500 -0.092 0.000 2.822 263 R HA 0.266 4.606 4.340 0.001 0.000 0.277 263 R C -1.994 174.289 176.300 -0.028 0.000 1.102 263 R CA -1.492 54.578 56.100 -0.050 0.000 1.207 263 R CB -1.307 28.997 30.300 0.007 0.000 1.139 263 R HN 0.001 nan 8.270 nan 0.000 0.557 264 P HA 0.127 nan 4.420 nan 0.000 0.274 264 P C -0.551 176.541 177.300 -0.347 0.000 1.231 264 P CA -0.172 62.797 63.100 -0.219 0.000 0.790 264 P CB 0.577 32.095 31.700 -0.303 0.000 0.951 265 K N 1.971 122.169 120.400 -0.336 0.000 2.270 265 K HA 0.258 4.579 4.320 0.001 0.000 0.276 265 K C -0.651 175.658 176.600 -0.486 0.000 1.023 265 K CA 0.185 56.315 56.287 -0.262 0.000 0.955 265 K CB 0.098 32.509 32.500 -0.148 0.000 0.975 265 K HN 0.449 nan 8.250 nan 0.000 0.471 266 Y N 0.028 120.264 120.300 -0.107 0.000 2.332 266 Y HA 0.234 4.784 4.550 0.001 0.000 0.326 266 Y C 1.005 176.803 175.900 -0.170 0.000 0.978 266 Y CA -0.613 57.391 58.100 -0.159 0.000 1.205 266 Y CB 1.723 40.056 38.460 -0.211 0.000 1.131 266 Y HN 0.718 nan 8.280 nan 0.000 0.462 267 A N 3.056 125.854 122.820 -0.037 0.000 1.892 267 A HA 0.267 4.588 4.320 0.001 0.000 0.218 267 A C 1.448 178.963 177.584 -0.115 0.000 1.188 267 A CA 1.852 53.845 52.037 -0.075 0.000 0.631 267 A CB -1.063 17.885 19.000 -0.087 0.000 0.822 267 A HN 1.496 nan 8.150 nan 0.000 0.447 268 G N -3.470 105.178 108.800 -0.253 0.000 2.566 268 G HA2 0.034 3.995 3.960 0.001 0.000 0.599 268 G HA3 0.034 3.995 3.960 0.001 0.000 0.599 268 G C -0.606 174.034 174.900 -0.433 0.000 1.292 268 G CA -0.299 44.613 45.100 -0.314 0.000 0.922 268 G HN 0.738 nan 8.290 nan 0.000 0.514 269 Y N 0.211 120.479 120.300 -0.053 0.000 2.512 269 Y HA 0.611 5.161 4.550 0.001 0.000 0.348 269 Y C 1.025 176.902 175.900 -0.038 0.000 0.990 269 Y CA -0.414 57.647 58.100 -0.065 0.000 1.033 269 Y CB 2.380 40.760 38.460 -0.133 0.000 1.259 269 Y HN 1.010 nan 8.280 nan 0.000 0.461 270 S N 0.712 116.530 115.700 0.198 0.000 2.579 270 S HA 0.085 4.556 4.470 0.001 0.000 0.275 270 S C 0.247 174.960 174.600 0.188 0.000 1.345 270 S CA -0.403 57.916 58.200 0.198 0.000 1.031 270 S CB 0.323 63.619 63.200 0.159 0.000 0.892 270 S HN 0.580 nan 8.310 nan 0.000 0.529 271 F N 1.257 121.285 119.950 0.130 0.000 2.771 271 F HA 0.072 4.599 4.527 0.001 0.000 0.299 271 F C 2.050 177.984 175.800 0.223 0.000 1.177 271 F CA 0.394 58.519 58.000 0.209 0.000 1.450 271 F CB -0.191 38.954 39.000 0.242 0.000 1.114 271 F HN 0.624 nan 8.300 nan 0.000 0.587 272 E N 0.028 120.388 120.200 0.266 0.000 2.075 272 E HA -0.056 4.295 4.350 0.001 0.000 0.190 272 E C 2.044 178.702 176.600 0.096 0.000 0.969 272 E CA 0.573 57.094 56.400 0.201 0.000 0.815 272 E CB -0.372 29.413 29.700 0.141 0.000 0.776 272 E HN 0.257 nan 8.360 nan 0.000 0.457 273 K N 1.279 121.689 120.400 0.016 0.000 1.985 273 K HA 0.004 4.324 4.320 0.001 0.000 0.210 273 K C 2.456 178.916 176.600 -0.233 0.000 1.047 273 K CA 0.705 56.924 56.287 -0.112 0.000 0.932 273 K CB -0.703 31.703 32.500 -0.157 0.000 0.716 273 K HN 0.138 nan 8.250 nan 0.000 0.439 274 L N -0.327 120.705 121.223 -0.318 0.000 2.129 274 L HA -0.158 4.182 4.340 0.001 0.000 0.212 274 L C 0.521 176.809 176.870 -0.971 0.000 1.087 274 L CA 1.181 55.592 54.840 -0.716 0.000 0.757 274 L CB -0.233 41.253 42.059 -0.954 0.000 0.896 274 L HN 0.051 nan 8.230 nan 0.000 0.434 275 F N -0.752 119.166 119.950 -0.053 0.000 2.766 275 F HA 0.306 4.834 4.527 0.001 0.000 0.355 275 F C -2.265 173.608 175.800 0.121 0.000 1.434 275 F CA -2.351 55.645 58.000 -0.006 0.000 1.139 275 F CB 0.327 39.449 39.000 0.202 0.000 1.816 275 F HN -0.191 nan 8.300 nan 0.000 0.600 276 P HA 0.036 nan 4.420 nan 0.000 0.271 276 P C 0.482 177.896 177.300 0.191 0.000 1.216 276 P CA 0.211 63.394 63.100 0.138 0.000 0.771 276 P CB 1.443 33.159 31.700 0.026 0.000 0.864 277 D N 2.350 122.921 120.400 0.284 0.000 2.412 277 D HA -0.212 4.429 4.640 0.001 0.000 0.191 277 D C 1.936 178.374 176.300 0.230 0.000 1.019 277 D CA 1.877 56.090 54.000 0.355 0.000 0.866 277 D CB -1.049 39.884 40.800 0.221 0.000 0.966 277 D HN 0.193 nan 8.370 nan 0.000 0.459 278 V N 1.354 121.337 119.914 0.115 0.000 2.352 278 V HA -0.312 3.808 4.120 0.001 0.000 0.263 278 V C 2.627 178.730 176.094 0.016 0.000 1.103 278 V CA 1.846 64.180 62.300 0.057 0.000 1.099 278 V CB -0.928 30.907 31.823 0.020 0.000 0.685 278 V HN 0.235 nan 8.190 nan 0.000 0.455 279 L N -2.446 118.734 121.223 -0.072 0.000 2.095 279 L HA 0.079 4.419 4.340 0.001 0.000 0.204 279 L C 1.188 177.921 176.870 -0.228 0.000 1.080 279 L CA 0.574 55.294 54.840 -0.200 0.000 0.759 279 L CB -0.432 41.406 42.059 -0.369 0.000 0.914 279 L HN 0.215 nan 8.230 nan 0.000 0.439 280 F N 0.490 120.462 119.950 0.036 0.000 2.496 280 F HA 0.193 4.721 4.527 0.001 0.000 0.344 280 F C -1.565 174.211 175.800 -0.041 0.000 1.155 280 F CA -2.305 55.695 58.000 -0.001 0.000 1.302 280 F CB -0.791 38.270 39.000 0.102 0.000 1.159 280 F HN -0.265 nan 8.300 nan 0.000 0.595 281 P HA 0.069 nan 4.420 nan 0.000 0.272 281 P C -1.081 176.275 177.300 0.094 0.000 1.248 281 P CA -0.385 62.639 63.100 -0.126 0.000 0.799 281 P CB 0.343 31.817 31.700 -0.378 0.000 0.997 282 A N 1.220 124.120 122.820 0.133 0.000 2.500 282 A HA 0.019 4.340 4.320 0.001 0.000 0.285 282 A C -0.069 177.695 177.584 0.299 0.000 1.183 282 A CA 0.136 52.285 52.037 0.186 0.000 0.851 282 A CB -1.239 17.828 19.000 0.111 0.000 1.091 282 A HN 0.372 nan 8.150 nan 0.000 0.521 283 D N 3.178 123.757 120.400 0.298 0.000 2.520 283 D HA 0.068 4.708 4.640 0.001 0.000 0.243 283 D C 1.157 177.495 176.300 0.065 0.000 1.160 283 D CA 0.565 54.672 54.000 0.178 0.000 0.877 283 D CB 0.828 41.693 40.800 0.109 0.000 1.150 283 D HN 0.495 nan 8.370 nan 0.000 0.494 284 S N 2.329 118.015 115.700 -0.024 0.000 2.317 284 S HA -0.124 4.347 4.470 0.001 0.000 0.182 284 S C 1.496 175.988 174.600 -0.179 0.000 1.327 284 S CA 0.776 58.842 58.200 -0.223 0.000 2.118 284 S CB 0.271 62.990 63.200 -0.802 0.000 0.645 284 S HN 0.792 nan 8.310 nan 0.000 0.358 285 E N 0.287 120.333 120.200 -0.257 0.000 2.410 285 E HA -0.021 4.329 4.350 0.001 0.000 0.188 285 E C 0.185 176.786 176.600 0.002 0.000 0.980 285 E CA -0.013 56.334 56.400 -0.090 0.000 1.513 285 E CB -0.998 28.651 29.700 -0.085 0.000 2.654 285 E HN 0.850 nan 8.360 nan 0.000 1.016 286 H N 2.291 121.335 119.070 -0.044 0.000 2.767 286 H HA 0.256 4.813 4.556 0.001 0.000 0.380 286 H C 0.962 176.243 175.328 -0.078 0.000 1.409 286 H CA 0.252 56.264 56.048 -0.059 0.000 1.463 286 H CB 0.282 30.004 29.762 -0.065 0.000 1.514 286 H HN 0.042 nan 8.280 nan 0.000 0.619 287 N N 0.753 119.470 118.700 0.028 0.000 2.446 287 N HA -0.085 4.655 4.740 0.001 0.000 0.179 287 N C 0.765 176.138 175.510 -0.227 0.000 1.054 287 N CA 0.175 53.175 53.050 -0.084 0.000 0.905 287 N CB 0.032 38.465 38.487 -0.089 0.000 0.973 287 N HN 0.519 nan 8.380 nan 0.000 0.448 288 K N 0.713 120.827 120.400 -0.478 0.000 2.001 288 K HA 0.055 4.375 4.320 0.001 0.000 0.221 288 K C 0.328 176.593 176.600 -0.558 0.000 0.991 288 K CA 0.717 56.582 56.287 -0.703 0.000 1.047 288 K CB -0.284 31.507 32.500 -1.182 0.000 0.867 288 K HN 0.088 nan 8.250 nan 0.000 0.469 289 L N 1.888 122.725 121.223 -0.643 0.000 2.257 289 L HA 0.235 4.576 4.340 0.001 0.000 0.290 289 L C 0.083 176.773 176.870 -0.299 0.000 1.044 289 L CA -0.143 54.478 54.840 -0.365 0.000 0.810 289 L CB 1.077 42.937 42.059 -0.332 0.000 1.193 289 L HN 0.249 nan 8.230 nan 0.000 0.425 290 K N 1.074 121.328 120.400 -0.244 0.000 2.395 290 K HA 0.646 4.967 4.320 0.001 0.000 0.245 290 K C 0.551 177.008 176.600 -0.238 0.000 1.017 290 K CA -0.558 55.554 56.287 -0.291 0.000 0.852 290 K CB 2.210 34.642 32.500 -0.112 0.000 1.311 290 K HN 0.503 nan 8.250 nan 0.000 0.452 291 A N 0.447 123.181 122.820 -0.145 0.000 1.872 291 A HA -0.134 4.186 4.320 0.001 0.000 0.214 291 A C 1.934 179.225 177.584 -0.487 0.000 1.187 291 A CA 2.018 53.891 52.037 -0.272 0.000 0.614 291 A CB -0.833 18.129 19.000 -0.063 0.000 0.826 291 A HN 0.772 nan 8.150 nan 0.000 0.442 292 S N 0.135 115.697 115.700 -0.229 0.000 2.423 292 S HA -0.318 4.153 4.470 0.001 0.000 0.238 292 S C 1.857 176.363 174.600 -0.158 0.000 1.028 292 S CA 1.745 59.847 58.200 -0.164 0.000 1.000 292 S CB -0.584 62.572 63.200 -0.073 0.000 0.797 292 S HN 0.729 nan 8.310 nan 0.000 0.487 293 Q N 1.441 121.166 119.800 -0.124 0.000 2.008 293 Q HA 0.197 4.537 4.340 0.001 0.000 0.196 293 Q C 2.778 178.725 176.000 -0.089 0.000 0.973 293 Q CA 1.050 56.859 55.803 0.010 0.000 0.826 293 Q CB -0.622 28.193 28.738 0.129 0.000 0.894 293 Q HN 0.648 nan 8.270 nan 0.000 0.439 294 A N 2.025 124.588 122.820 -0.428 0.000 1.903 294 A HA -0.306 4.014 4.320 0.001 0.000 0.219 294 A C 2.128 179.357 177.584 -0.591 0.000 1.191 294 A CA 2.038 53.528 52.037 -0.911 0.000 0.638 294 A CB -0.774 17.558 19.000 -1.113 0.000 0.823 294 A HN 0.318 nan 8.150 nan 0.000 0.451 295 R N -0.252 119.859 120.500 -0.649 0.000 2.094 295 R HA -0.257 4.083 4.340 0.001 0.000 0.239 295 R C 1.983 178.141 176.300 -0.236 0.000 1.137 295 R CA 2.387 58.271 56.100 -0.360 0.000 0.943 295 R CB -0.625 29.517 30.300 -0.264 0.000 0.850 295 R HN 0.587 nan 8.270 nan 0.000 0.433 296 D N -0.128 120.151 120.400 -0.201 0.000 2.123 296 D HA -0.208 4.432 4.640 0.001 0.000 0.196 296 D C 1.956 178.091 176.300 -0.275 0.000 0.992 296 D CA 1.166 55.069 54.000 -0.162 0.000 0.833 296 D CB -0.067 40.732 40.800 -0.001 0.000 0.954 296 D HN 0.251 nan 8.370 nan 0.000 0.455 297 L N 0.091 121.074 121.223 -0.400 0.000 2.083 297 L HA -0.064 4.277 4.340 0.001 0.000 0.209 297 L C 2.057 178.709 176.870 -0.362 0.000 1.083 297 L CA 1.396 55.879 54.840 -0.595 0.000 0.752 297 L CB -0.463 41.233 42.059 -0.605 0.000 0.899 297 L HN 0.235 nan 8.230 nan 0.000 0.433 298 L N -0.913 120.120 121.223 -0.315 0.000 1.976 298 L HA -0.219 4.121 4.340 0.001 0.000 0.209 298 L C 2.691 179.439 176.870 -0.204 0.000 1.071 298 L CA 1.623 56.337 54.840 -0.210 0.000 0.746 298 L CB -0.822 41.095 42.059 -0.237 0.000 0.890 298 L HN 0.514 nan 8.230 nan 0.000 0.432 299 S N -0.432 114.938 115.700 -0.550 0.000 2.461 299 S HA -0.235 4.235 4.470 0.001 0.000 0.246 299 S C 1.732 176.051 174.600 -0.469 0.000 1.007 299 S CA 1.338 58.868 58.200 -1.116 0.000 0.976 299 S CB -0.345 62.229 63.200 -1.043 0.000 0.763 299 S HN 0.441 nan 8.310 nan 0.000 0.508 300 K N 0.002 120.235 120.400 -0.278 0.000 2.242 300 K HA 0.291 4.612 4.320 0.001 0.000 0.200 300 K C 2.131 178.698 176.600 -0.055 0.000 1.050 300 K CA 0.876 57.076 56.287 -0.144 0.000 0.981 300 K CB -0.126 32.288 32.500 -0.142 0.000 0.795 300 K HN 0.432 nan 8.250 nan 0.000 0.477 301 M N 0.827 120.389 119.600 -0.062 0.000 2.216 301 M HA 0.032 4.513 4.480 0.001 0.000 0.264 301 M C 0.869 177.197 176.300 0.046 0.000 1.080 301 M CA 0.924 56.227 55.300 0.005 0.000 1.153 301 M CB -0.044 32.531 32.600 -0.042 0.000 1.356 301 M HN -0.046 nan 8.290 nan 0.000 0.432 302 L N 2.474 123.698 121.223 0.001 0.000 2.436 302 L HA 0.114 4.454 4.340 0.001 0.000 0.244 302 L C -0.952 176.060 176.870 0.237 0.000 1.396 302 L CA -0.387 54.434 54.840 -0.032 0.000 1.217 302 L CB -0.968 41.192 42.059 0.168 0.000 1.420 302 L HN 0.019 nan 8.230 nan 0.000 0.434 303 V N 1.720 121.861 119.914 0.378 0.000 2.588 303 V HA 0.242 4.363 4.120 0.001 0.000 0.304 303 V C 1.132 177.478 176.094 0.421 0.000 1.042 303 V CA -0.545 61.961 62.300 0.344 0.000 0.877 303 V CB 2.539 34.471 31.823 0.182 0.000 0.996 303 V HN 0.392 nan 8.190 nan 0.000 0.425 304 I N 1.036 121.721 120.570 0.191 0.000 2.179 304 I HA -0.086 4.085 4.170 0.001 0.000 0.242 304 I C 1.167 177.167 176.117 -0.195 0.000 1.088 304 I CA 1.345 62.562 61.300 -0.138 0.000 1.357 304 I CB 0.114 37.877 38.000 -0.395 0.000 1.051 304 I HN 0.682 nan 8.210 nan 0.000 0.409 305 D N 1.486 121.809 120.400 -0.129 0.000 2.383 305 D HA 0.177 4.817 4.640 0.001 0.000 0.245 305 D C 1.162 177.551 176.300 0.149 0.000 1.263 305 D CA 0.232 54.290 54.000 0.097 0.000 0.936 305 D CB 1.277 42.167 40.800 0.149 0.000 1.053 305 D HN 0.203 nan 8.370 nan 0.000 0.507 306 A N 3.197 126.120 122.820 0.171 0.000 2.023 306 A HA -0.283 4.037 4.320 0.001 0.000 0.223 306 A C 2.258 179.920 177.584 0.131 0.000 1.180 306 A CA 2.173 54.301 52.037 0.152 0.000 0.659 306 A CB -0.292 18.793 19.000 0.141 0.000 0.817 306 A HN 0.585 nan 8.150 nan 0.000 0.466 307 S N 0.044 115.820 115.700 0.127 0.000 2.348 307 S HA -0.157 4.313 4.470 0.001 0.000 0.221 307 S C 1.634 176.289 174.600 0.091 0.000 1.033 307 S CA 1.560 59.820 58.200 0.099 0.000 1.010 307 S CB -0.296 62.963 63.200 0.097 0.000 0.891 307 S HN 0.709 nan 8.310 nan 0.000 0.442 308 K N 0.973 121.430 120.400 0.096 0.000 2.551 308 K HA 0.136 4.457 4.320 0.001 0.000 0.192 308 K C 1.168 177.816 176.600 0.080 0.000 1.027 308 K CA -0.068 56.266 56.287 0.079 0.000 1.059 308 K CB 0.113 32.657 32.500 0.072 0.000 0.831 308 K HN 0.231 nan 8.250 nan 0.000 0.508 309 R N 1.168 121.729 120.500 0.102 0.000 2.811 309 R HA 0.311 4.652 4.340 0.001 0.000 0.237 309 R C -0.044 176.308 176.300 0.088 0.000 1.231 309 R CA -0.263 55.904 56.100 0.112 0.000 1.070 309 R CB 0.352 30.748 30.300 0.160 0.000 1.126 309 R HN 0.091 nan 8.270 nan 0.000 0.540 310 I N 0.685 121.308 120.570 0.088 0.000 2.465 310 I HA 0.263 4.434 4.170 0.001 0.000 0.291 310 I C -0.253 175.921 176.117 0.095 0.000 1.014 310 I CA -0.580 60.764 61.300 0.074 0.000 1.093 310 I CB 1.829 39.853 38.000 0.041 0.000 1.267 310 I HN 0.816 nan 8.210 nan 0.000 0.431 311 S N 5.238 120.996 115.700 0.097 0.000 2.587 311 S HA 0.121 4.591 4.470 0.001 0.000 0.260 311 S C 1.200 175.874 174.600 0.122 0.000 1.353 311 S CA -0.317 57.953 58.200 0.117 0.000 0.995 311 S CB 1.418 64.681 63.200 0.106 0.000 0.912 311 S HN 0.578 nan 8.310 nan 0.000 0.568 312 V N 1.268 121.272 119.914 0.149 0.000 2.261 312 V HA -0.159 3.961 4.120 0.001 0.000 0.246 312 V C 2.294 178.452 176.094 0.106 0.000 1.047 312 V CA 2.312 64.679 62.300 0.111 0.000 1.015 312 V CB -1.482 30.396 31.823 0.092 0.000 0.642 312 V HN 0.884 nan 8.190 nan 0.000 0.446 313 D N 0.069 120.543 120.400 0.123 0.000 2.133 313 D HA -0.180 4.460 4.640 0.001 0.000 0.195 313 D C 2.249 178.640 176.300 0.151 0.000 0.997 313 D CA 1.542 55.627 54.000 0.141 0.000 0.840 313 D CB -0.196 40.685 40.800 0.134 0.000 0.947 313 D HN 0.586 nan 8.370 nan 0.000 0.452 314 E N 0.137 120.413 120.200 0.126 0.000 2.153 314 E HA -0.134 4.217 4.350 0.001 0.000 0.194 314 E C 2.072 178.762 176.600 0.150 0.000 0.988 314 E CA 0.823 57.298 56.400 0.124 0.000 0.811 314 E CB -0.078 29.682 29.700 0.099 0.000 0.746 314 E HN 0.276 nan 8.360 nan 0.000 0.466 315 A N 1.269 124.168 122.820 0.132 0.000 1.898 315 A HA -0.119 4.202 4.320 0.001 0.000 0.216 315 A C 2.129 179.833 177.584 0.200 0.000 1.181 315 A CA 0.907 53.022 52.037 0.130 0.000 0.620 315 A CB -0.487 18.561 19.000 0.081 0.000 0.819 315 A HN 0.146 nan 8.150 nan 0.000 0.442 316 L N -0.594 120.753 121.223 0.207 0.000 2.465 316 L HA -0.087 4.254 4.340 0.001 0.000 0.224 316 L C 1.662 178.751 176.870 0.365 0.000 1.145 316 L CA 0.523 55.532 54.840 0.282 0.000 0.834 316 L CB -0.194 42.004 42.059 0.232 0.000 0.944 316 L HN 0.395 nan 8.230 nan 0.000 0.451 317 Q N -1.557 118.409 119.800 0.275 0.000 2.247 317 Q HA 0.098 4.438 4.340 0.001 0.000 0.204 317 Q C -0.092 175.991 176.000 0.139 0.000 0.872 317 Q CA 0.049 55.968 55.803 0.193 0.000 0.951 317 Q CB 0.057 28.872 28.738 0.128 0.000 1.099 317 Q HN 0.410 nan 8.270 nan 0.000 0.501 318 H N 2.531 121.654 119.070 0.088 0.000 2.610 318 H HA 0.100 4.656 4.556 0.001 0.000 0.336 318 H C -1.350 173.997 175.328 0.032 0.000 1.087 318 H CA -1.434 54.646 56.048 0.054 0.000 1.405 318 H CB 1.255 31.058 29.762 0.069 0.000 1.460 318 H HN -0.169 nan 8.280 nan 0.000 0.538 319 P HA -0.287 nan 4.420 nan 0.000 0.218 319 P C 0.908 178.094 177.300 -0.189 0.000 1.150 319 P CA 1.516 64.405 63.100 -0.351 0.000 0.841 319 P CB -0.005 31.443 31.700 -0.421 0.000 0.784 320 Y N -0.147 120.111 120.300 -0.071 0.000 2.516 320 Y HA 0.003 4.553 4.550 0.001 0.000 0.291 320 Y C 2.060 177.991 175.900 0.051 0.000 1.131 320 Y CA 0.911 59.047 58.100 0.060 0.000 1.281 320 Y CB 0.041 38.638 38.460 0.228 0.000 1.013 320 Y HN -0.190 nan 8.280 nan 0.000 0.554 321 I N -1.375 119.287 120.570 0.153 0.000 4.244 321 I HA -0.059 4.112 4.170 0.001 0.000 0.318 321 I C 1.802 177.897 176.117 -0.037 0.000 1.282 321 I CA 0.277 61.652 61.300 0.126 0.000 1.276 321 I CB -0.982 37.205 38.000 0.313 0.000 1.183 321 I HN 0.160 nan 8.210 nan 0.000 0.431 322 N N 2.420 121.097 118.700 -0.038 0.000 2.060 322 N HA -0.176 4.564 4.740 0.001 0.000 0.195 322 N C 2.107 177.489 175.510 -0.214 0.000 1.028 322 N CA 2.213 55.242 53.050 -0.035 0.000 0.861 322 N CB -0.106 38.337 38.487 -0.072 0.000 1.029 322 N HN 0.324 nan 8.380 nan 0.000 0.428 323 V N -0.927 118.688 119.914 -0.498 0.000 2.233 323 V HA -0.287 3.833 4.120 0.001 0.000 0.256 323 V C 1.756 177.485 176.094 -0.609 0.000 1.069 323 V CA 2.347 64.198 62.300 -0.749 0.000 1.054 323 V CB -1.670 29.317 31.823 -1.394 0.000 0.664 323 V HN 0.430 nan 8.190 nan 0.000 0.453 324 W N -1.091 120.023 121.300 -0.311 0.000 2.848 324 W HA 0.255 4.915 4.660 0.001 0.000 0.241 324 W C 1.145 177.237 176.519 -0.711 0.000 1.289 324 W CA -0.624 56.415 57.345 -0.509 0.000 1.396 324 W CB -0.945 28.134 29.460 -0.635 0.000 1.138 324 W HN 0.321 nan 8.180 nan 0.000 0.677 325 Y N 3.328 123.409 120.300 -0.366 0.000 2.895 325 Y HA -0.131 4.419 4.550 0.001 0.000 0.334 325 Y C 0.367 176.306 175.900 0.065 0.000 1.261 325 Y CA 0.921 58.969 58.100 -0.087 0.000 1.560 325 Y CB 0.272 38.725 38.460 -0.012 0.000 1.253 325 Y HN -0.126 nan 8.280 nan 0.000 0.582 326 D N 8.118 128.635 120.400 0.195 0.000 2.354 326 D HA 0.190 4.831 4.640 0.001 0.000 0.230 326 D C -2.345 174.080 176.300 0.208 0.000 1.361 326 D CA -1.679 52.490 54.000 0.283 0.000 0.992 326 D CB 1.917 42.859 40.800 0.236 0.000 1.409 326 D HN 0.202 nan 8.370 nan 0.000 0.573 327 P HA -0.169 nan 4.420 nan 0.000 0.219 327 P C 1.251 178.630 177.300 0.132 0.000 1.144 327 P CA 1.228 64.491 63.100 0.272 0.000 0.806 327 P CB 0.220 32.072 31.700 0.254 0.000 0.771 328 S N -1.548 114.216 115.700 0.108 0.000 2.607 328 S HA -0.063 4.408 4.470 0.001 0.000 0.224 328 S C 1.232 175.837 174.600 0.008 0.000 0.969 328 S CA 0.860 59.094 58.200 0.056 0.000 0.927 328 S CB -0.819 62.419 63.200 0.062 0.000 0.772 328 S HN 0.389 nan 8.310 nan 0.000 0.533 329 E N -0.604 119.605 120.200 0.015 0.000 2.640 329 E HA 0.396 4.746 4.350 0.001 0.000 0.197 329 E C 1.300 177.870 176.600 -0.049 0.000 0.925 329 E CA 0.331 56.709 56.400 -0.036 0.000 1.604 329 E CB -0.327 29.420 29.700 0.078 0.000 1.769 329 E HN 0.349 nan 8.360 nan 0.000 0.965 330 A N 1.964 124.749 122.820 -0.057 0.000 2.307 330 A HA 0.094 4.415 4.320 0.001 0.000 0.218 330 A C 0.805 178.384 177.584 -0.008 0.000 1.228 330 A CA 0.642 52.581 52.037 -0.162 0.000 0.857 330 A CB -0.314 18.335 19.000 -0.584 0.000 0.897 330 A HN 0.360 nan 8.150 nan 0.000 0.495 331 E N -1.720 118.509 120.200 0.049 0.000 3.565 331 E HA 0.354 4.705 4.350 0.001 0.000 0.178 331 E C -0.264 176.377 176.600 0.069 0.000 1.028 331 E CA -0.004 56.454 56.400 0.096 0.000 1.519 331 E CB -0.914 28.888 29.700 0.169 0.000 1.134 331 E HN 0.317 nan 8.360 nan 0.000 0.368 332 A N 2.077 124.914 122.820 0.029 0.000 2.252 332 A HA 0.678 4.999 4.320 0.001 0.000 0.305 332 A C -2.031 175.589 177.584 0.059 0.000 1.097 332 A CA -1.355 50.687 52.037 0.008 0.000 0.849 332 A CB -0.146 18.796 19.000 -0.096 0.000 1.142 332 A HN 0.301 nan 8.150 nan 0.000 0.499 333 P HA 0.060 nan 4.420 nan 0.000 0.259 333 P C -2.572 174.776 177.300 0.079 0.000 1.163 333 P CA -0.245 62.891 63.100 0.060 0.000 0.760 333 P CB -0.402 31.327 31.700 0.048 0.000 0.762 334 P HA 0.177 nan 4.420 nan 0.000 0.274 334 P C -2.339 174.860 177.300 -0.168 0.000 1.231 334 P CA -1.746 61.216 63.100 -0.231 0.000 0.790 334 P CB -0.509 31.110 31.700 -0.136 0.000 0.951 335 P HA 0.107 nan 4.420 nan 0.000 0.271 335 P C -0.203 177.069 177.300 -0.047 0.000 1.233 335 P CA 0.083 63.137 63.100 -0.076 0.000 0.764 335 P CB 0.402 32.061 31.700 -0.068 0.000 0.825 336 K N 4.614 125.008 120.400 -0.010 0.000 2.278 336 K HA 0.243 4.564 4.320 0.001 0.000 0.289 336 K C 0.309 176.909 176.600 -0.000 0.000 1.080 336 K CA -0.422 55.862 56.287 -0.005 0.000 0.934 336 K CB 0.278 32.782 32.500 0.007 0.000 1.093 336 K HN 0.447 nan 8.250 nan 0.000 0.459 337 I N 6.191 126.757 120.570 -0.007 0.000 2.342 337 I HA 0.088 4.259 4.170 0.001 0.000 0.291 337 I C -0.576 175.549 176.117 0.014 0.000 1.010 337 I CA -2.145 59.155 61.300 -0.000 0.000 1.308 337 I CB 0.586 38.580 38.000 -0.010 0.000 1.400 337 I HN 0.284 nan 8.210 nan 0.000 0.488 338 P HA -0.218 nan 4.420 nan 0.000 0.216 338 P C -0.068 177.256 177.300 0.041 0.000 1.167 338 P CA 2.224 65.346 63.100 0.036 0.000 0.933 338 P CB 0.209 31.938 31.700 0.048 0.000 0.793 339 D N -4.402 116.031 120.400 0.054 0.000 4.427 339 D HA -0.034 4.606 4.640 0.001 0.000 0.104 339 D C 0.371 176.723 176.300 0.086 0.000 0.424 339 D CA -0.054 53.980 54.000 0.057 0.000 0.582 339 D CB -1.571 39.258 40.800 0.050 0.000 1.646 339 D HN 0.433 nan 8.370 nan 0.000 0.095 340 K N 0.284 120.751 120.400 0.112 0.000 2.520 340 K HA 0.177 4.497 4.320 0.001 0.000 0.206 340 K C 1.093 177.817 176.600 0.208 0.000 1.122 340 K CA -0.113 56.282 56.287 0.180 0.000 1.045 340 K CB 0.309 32.962 32.500 0.254 0.000 0.932 340 K HN 0.230 nan 8.250 nan 0.000 0.571 341 Q N 0.622 120.497 119.800 0.125 0.000 2.378 341 Q HA 0.121 4.461 4.340 0.001 0.000 0.229 341 Q C 1.074 177.122 176.000 0.080 0.000 0.882 341 Q CA -0.364 55.499 55.803 0.101 0.000 0.936 341 Q CB -0.396 28.358 28.738 0.025 0.000 1.092 341 Q HN 0.157 nan 8.270 nan 0.000 0.535 342 L N 0.911 122.174 121.223 0.067 0.000 2.368 342 L HA 0.143 4.483 4.340 0.001 0.000 0.162 342 L C 0.867 177.774 176.870 0.062 0.000 0.994 342 L CA 0.255 55.124 54.840 0.049 0.000 1.884 342 L CB -1.055 41.024 42.059 0.033 0.000 2.068 342 L HN -0.102 nan 8.230 nan 0.000 0.543 343 D N -0.212 120.216 120.400 0.046 0.000 1.632 343 D HA -0.168 4.473 4.640 0.001 0.000 0.433 343 D C 0.053 176.394 176.300 0.069 0.000 1.562 343 D CA 2.137 56.164 54.000 0.044 0.000 1.341 343 D CB -0.358 40.461 40.800 0.031 0.000 2.445 343 D HN 0.711 nan 8.370 nan 0.000 0.745 344 E N -0.541 119.701 120.200 0.069 0.000 2.195 344 E HA 0.670 5.020 4.350 0.001 0.000 0.271 344 E C -0.674 175.989 176.600 0.105 0.000 0.923 344 E CA -0.881 55.570 56.400 0.085 0.000 0.790 344 E CB 2.094 31.827 29.700 0.055 0.000 1.155 344 E HN 0.429 nan 8.360 nan 0.000 0.402 345 R N 0.712 121.300 120.500 0.146 0.000 3.358 345 R HA 0.051 4.391 4.340 0.001 0.000 0.309 345 R C -2.010 174.471 176.300 0.300 0.000 0.834 345 R CA -0.482 55.720 56.100 0.170 0.000 0.993 345 R CB -0.440 29.979 30.300 0.198 0.000 1.424 345 R HN 0.645 nan 8.270 nan 0.000 0.398 346 E N 3.366 123.703 120.200 0.228 0.000 2.186 346 E HA 0.381 4.731 4.350 0.001 0.000 0.255 346 E C -0.730 175.981 176.600 0.185 0.000 0.881 346 E CA -1.079 55.523 56.400 0.337 0.000 0.752 346 E CB 0.927 30.785 29.700 0.263 0.000 1.176 346 E HN 0.613 nan 8.360 nan 0.000 0.421 347 H N 1.525 120.410 119.070 -0.308 0.000 2.394 347 H HA 0.451 5.007 4.556 0.001 0.000 0.258 347 H C 0.507 175.718 175.328 -0.195 0.000 1.608 347 H CA -0.129 55.651 56.048 -0.446 0.000 1.531 347 H CB 0.344 29.542 29.762 -0.940 0.000 1.700 347 H HN 0.669 nan 8.280 nan 0.000 0.779 348 T N -1.524 113.012 114.554 -0.030 0.000 2.909 348 T HA 0.415 4.765 4.350 0.001 0.000 0.299 348 T C 1.325 176.129 174.700 0.174 0.000 1.073 348 T CA -0.349 61.822 62.100 0.117 0.000 0.999 348 T CB 0.948 69.853 68.868 0.062 0.000 1.098 348 T HN 0.693 nan 8.240 nan 0.000 0.477 349 I N -0.809 119.931 120.570 0.284 0.000 4.721 349 I HA -0.392 3.778 4.170 0.001 0.000 0.070 349 I C 2.078 178.322 176.117 0.212 0.000 0.647 349 I CA 2.051 63.513 61.300 0.270 0.000 0.510 349 I CB -1.359 36.730 38.000 0.147 0.000 0.472 349 I HN 0.630 nan 8.210 nan 0.000 0.184 350 E N 1.073 121.323 120.200 0.083 0.000 2.108 350 E HA -0.269 4.082 4.350 0.001 0.000 0.203 350 E C 2.055 178.679 176.600 0.040 0.000 1.022 350 E CA 2.518 58.931 56.400 0.022 0.000 0.823 350 E CB -0.444 29.251 29.700 -0.009 0.000 0.744 350 E HN 0.741 nan 8.360 nan 0.000 0.456 351 E N -0.954 119.251 120.200 0.008 0.000 2.097 351 E HA -0.220 4.131 4.350 0.001 0.000 0.196 351 E C 2.210 178.759 176.600 -0.084 0.000 1.000 351 E CA 1.453 57.816 56.400 -0.061 0.000 0.804 351 E CB -0.432 29.198 29.700 -0.118 0.000 0.740 351 E HN 0.426 nan 8.360 nan 0.000 0.454 352 W N 1.287 122.578 121.300 -0.015 0.000 2.354 352 W HA -0.151 4.509 4.660 0.001 0.000 0.315 352 W C 2.598 179.187 176.519 0.117 0.000 1.206 352 W CA 0.863 58.176 57.345 -0.052 0.000 1.290 352 W CB -0.092 29.383 29.460 0.025 0.000 1.152 352 W HN -0.012 nan 8.180 nan 0.000 0.489 353 K N 0.851 121.483 120.400 0.386 0.000 2.089 353 K HA -0.322 3.998 4.320 0.001 0.000 0.210 353 K C 1.879 178.665 176.600 0.310 0.000 1.048 353 K CA 2.181 58.599 56.287 0.218 0.000 0.926 353 K CB -0.197 32.148 32.500 -0.258 0.000 0.714 353 K HN 0.068 nan 8.250 nan 0.000 0.448 354 E N 0.716 121.023 120.200 0.178 0.000 2.028 354 E HA -0.149 4.201 4.350 0.001 0.000 0.191 354 E C 1.919 178.620 176.600 0.169 0.000 0.988 354 E CA 1.440 57.928 56.400 0.147 0.000 0.799 354 E CB -0.431 29.307 29.700 0.063 0.000 0.755 354 E HN 0.373 nan 8.360 nan 0.000 0.447 355 L N 0.287 121.581 121.223 0.118 0.000 2.051 355 L HA -0.221 4.119 4.340 0.001 0.000 0.214 355 L C 2.411 179.452 176.870 0.285 0.000 1.076 355 L CA 1.019 55.913 54.840 0.090 0.000 0.758 355 L CB -0.523 41.431 42.059 -0.176 0.000 0.890 355 L HN 0.318 nan 8.230 nan 0.000 0.433 356 I N -1.191 119.632 120.570 0.422 0.000 2.141 356 I HA -0.307 3.864 4.170 0.001 0.000 0.236 356 I C 2.454 178.767 176.117 0.327 0.000 1.071 356 I CA 1.511 63.130 61.300 0.531 0.000 1.345 356 I CB -1.308 37.156 38.000 0.774 0.000 1.066 356 I HN 0.218 nan 8.210 nan 0.000 0.406 357 Y N 2.479 122.849 120.300 0.117 0.000 2.298 357 Y HA -0.338 4.212 4.550 0.001 0.000 0.287 357 Y C 2.584 178.352 175.900 -0.219 0.000 1.164 357 Y CA 2.829 60.596 58.100 -0.556 0.000 1.229 357 Y CB -0.537 37.471 38.460 -0.755 0.000 0.977 357 Y HN 0.215 nan 8.280 nan 0.000 0.538 358 K N 0.022 120.375 120.400 -0.078 0.000 2.167 358 K HA -0.038 4.282 4.320 0.001 0.000 0.203 358 K C 1.906 178.464 176.600 -0.070 0.000 1.052 358 K CA 1.419 57.655 56.287 -0.086 0.000 0.956 358 K CB -0.701 31.824 32.500 0.041 0.000 0.735 358 K HN 0.440 nan 8.250 nan 0.000 0.451 359 E N 0.492 120.716 120.200 0.041 0.000 2.072 359 E HA -0.062 4.288 4.350 0.001 0.000 0.190 359 E C 1.883 178.484 176.600 0.002 0.000 0.982 359 E CA 1.333 57.782 56.400 0.082 0.000 0.803 359 E CB -0.231 29.608 29.700 0.231 0.000 0.755 359 E HN 0.197 nan 8.360 nan 0.000 0.453 360 V N 0.813 120.704 119.914 -0.039 0.000 2.343 360 V HA -0.267 3.853 4.120 0.001 0.000 0.247 360 V C 2.321 178.343 176.094 -0.120 0.000 1.051 360 V CA 1.574 63.845 62.300 -0.049 0.000 1.036 360 V CB -0.518 31.286 31.823 -0.031 0.000 0.654 360 V HN 0.324 nan 8.190 nan 0.000 0.451 361 M N 1.170 120.600 119.600 -0.283 0.000 2.661 361 M HA -0.174 4.306 4.480 0.001 0.000 0.273 361 M C 2.237 178.475 176.300 -0.104 0.000 1.068 361 M CA 2.281 57.426 55.300 -0.258 0.000 1.079 361 M CB -1.672 30.696 32.600 -0.386 0.000 1.223 361 M HN 0.643 nan 8.290 nan 0.000 0.495 362 D N 0.085 120.437 120.400 -0.079 0.000 2.397 362 D HA -0.139 4.501 4.640 0.001 0.000 0.219 362 D C 0.903 177.197 176.300 -0.010 0.000 0.975 362 D CA 0.500 54.482 54.000 -0.030 0.000 0.940 362 D CB -0.410 40.381 40.800 -0.016 0.000 0.884 362 D HN 0.142 nan 8.370 nan 0.000 0.505 363 L N 0.390 121.606 121.223 -0.013 0.000 2.472 363 L HA 0.574 4.915 4.340 0.001 0.000 0.256 363 L C 0.475 177.367 176.870 0.037 0.000 1.111 363 L CA 0.017 54.864 54.840 0.012 0.000 0.800 363 L CB 0.877 42.942 42.059 0.009 0.000 1.286 363 L HN 0.348 nan 8.230 nan 0.000 0.479 364 E N 0.000 120.233 120.200 0.054 0.000 2.725 364 E HA 0.000 4.350 4.350 0.001 0.000 0.291 364 E CA 0.000 nan 56.400 nan 0.000 0.976 364 E CB 0.000 nan 29.700 nan 0.000 0.812 364 E HN 0.000 nan 8.360 nan 0.000 0.440