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 3p9i_1_C DATA FIRST_RESID 4 DATA SEQUENCE TAADMAASAD EDACMFALQL ASSSVLPMTL KNAIELGLLE ILVAAGGKSL DATA SEQUENCE TPTEVAAKLP SAANPEAPDM VDRILRLLAS YNVVTCLVEE GKDGRLSRSY DATA SEQUENCE GAAPVCKFLT PNEDGVSMAA LALMNQDKVL MESWYYLKDA VLDGGIPFNK DATA SEQUENCE AYGMSAFEYH GTDPRFNRVF NEGMKNHSII ITKKLLELYH GFEGLGTLVD DATA SEQUENCE VGGGVGATVA AIAAHYPTIK GVNFDLPHVI SEAPQFPGVT HVGGDMFKEV DATA SEQUENCE PSGDTILMKW ILHDWSDQHC ATLLKNCYDA LPAHGKVVLV QCILPVNPEA DATA SEQUENCE NPSSQGVFHV DMIMLAHNPG GRERYEREFQ ALARGAGFTG VKSTYIYANA DATA SEQUENCE WAIEFTK 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.701 174.700 0.002 0.000 1.109 4 T CA 0.000 62.101 62.100 0.002 0.000 1.349 4 T CB 0.000 68.870 68.868 0.002 0.000 0.612 5 A N 0.212 123.034 122.820 0.003 0.000 2.072 5 A HA 0.538 4.857 4.320 -0.001 0.000 0.216 5 A C 2.029 179.615 177.584 0.004 0.000 1.156 5 A CA 1.426 53.465 52.037 0.003 0.000 0.701 5 A CB -0.522 18.480 19.000 0.003 0.000 0.816 5 A HN 1.007 nan 8.150 nan 0.000 0.458 6 A N -1.073 121.749 122.820 0.004 0.000 2.169 6 A HA 0.359 4.679 4.320 -0.001 0.000 0.210 6 A C 1.668 179.255 177.584 0.005 0.000 1.168 6 A CA 1.318 53.357 52.037 0.004 0.000 0.813 6 A CB -0.594 18.409 19.000 0.004 0.000 0.861 6 A HN 0.529 nan 8.150 nan 0.000 0.481 7 D N -1.342 119.060 120.400 0.004 0.000 2.162 7 D HA 0.160 4.799 4.640 -0.001 0.000 0.205 7 D C 2.156 178.459 176.300 0.004 0.000 0.964 7 D CA 2.185 56.187 54.000 0.004 0.000 0.847 7 D CB -0.665 40.136 40.800 0.003 0.000 0.988 7 D HN 0.562 nan 8.370 nan 0.000 0.480 8 M N 0.667 120.269 119.600 0.004 0.000 2.099 8 M HA 0.447 4.926 4.480 -0.001 0.000 0.262 8 M C 2.892 179.195 176.300 0.005 0.000 1.067 8 M CA 2.349 57.651 55.300 0.003 0.000 1.124 8 M CB -1.535 31.067 32.600 0.003 0.000 1.353 8 M HN 0.713 nan 8.290 nan 0.000 0.410 9 A N 0.528 123.352 122.820 0.006 0.000 1.865 9 A HA 0.144 4.463 4.320 -0.001 0.000 0.217 9 A C 2.776 180.366 177.584 0.010 0.000 1.191 9 A CA 3.095 55.136 52.037 0.008 0.000 0.623 9 A CB -1.465 17.540 19.000 0.008 0.000 0.826 9 A HN 1.463 nan 8.150 nan 0.000 0.444 10 A N -0.512 122.313 122.820 0.009 0.000 1.884 10 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 10 A C 2.476 180.067 177.584 0.011 0.000 1.197 10 A CA 2.526 54.568 52.037 0.010 0.000 0.637 10 A CB -1.116 17.888 19.000 0.008 0.000 0.827 10 A HN 0.499 nan 8.150 nan 0.000 0.450 11 S N -0.416 115.289 115.700 0.009 0.000 2.368 11 S HA -0.017 4.452 4.470 -0.001 0.000 0.225 11 S C 2.315 176.922 174.600 0.012 0.000 1.030 11 S CA 1.198 59.404 58.200 0.009 0.000 0.999 11 S CB -0.527 62.676 63.200 0.005 0.000 0.844 11 S HN 0.847 nan 8.310 nan 0.000 0.459 12 A N 1.664 124.491 122.820 0.011 0.000 1.908 12 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 12 A C 1.814 179.413 177.584 0.025 0.000 1.181 12 A CA 1.946 53.991 52.037 0.014 0.000 0.627 12 A CB -0.802 18.205 19.000 0.012 0.000 0.818 12 A HN 0.396 nan 8.150 nan 0.000 0.445 13 D N -0.990 119.425 120.400 0.024 0.000 2.144 13 D HA -0.125 4.514 4.640 -0.001 0.000 0.199 13 D C 1.992 178.312 176.300 0.034 0.000 0.984 13 D CA 1.432 55.449 54.000 0.029 0.000 0.834 13 D CB -0.092 40.721 40.800 0.021 0.000 0.955 13 D HN 0.681 nan 8.370 nan 0.000 0.465 14 E N 0.062 120.279 120.200 0.028 0.000 2.107 14 E HA -0.153 4.196 4.350 -0.001 0.000 0.191 14 E C 1.131 177.758 176.600 0.043 0.000 0.982 14 E CA 0.809 57.227 56.400 0.031 0.000 0.809 14 E CB 0.206 29.919 29.700 0.022 0.000 0.756 14 E HN 0.194 nan 8.360 nan 0.000 0.459 15 D N 0.294 120.718 120.400 0.040 0.000 2.144 15 D HA -0.144 4.495 4.640 -0.001 0.000 0.199 15 D C 1.747 178.105 176.300 0.096 0.000 0.984 15 D CA 1.171 55.199 54.000 0.047 0.000 0.834 15 D CB -0.136 40.674 40.800 0.017 0.000 0.955 15 D HN 0.254 nan 8.370 nan 0.000 0.465 16 A N 0.438 123.318 122.820 0.099 0.000 1.898 16 A HA -0.163 4.156 4.320 -0.001 0.000 0.216 16 A C 2.495 180.168 177.584 0.149 0.000 1.181 16 A CA 1.284 53.417 52.037 0.160 0.000 0.620 16 A CB -1.074 17.994 19.000 0.113 0.000 0.819 16 A HN 0.402 nan 8.150 nan 0.000 0.442 17 C N -0.486 118.867 119.300 0.087 0.000 2.425 17 C HA -0.074 4.385 4.460 -0.001 0.000 0.277 17 C C 2.788 177.818 174.990 0.067 0.000 1.280 17 C CA 1.508 60.561 59.018 0.058 0.000 1.744 17 C CB -1.259 26.504 27.740 0.038 0.000 1.989 17 C HN 0.628 nan 8.230 nan 0.000 0.491 18 M N -0.811 118.843 119.600 0.091 0.000 2.200 18 M HA -0.015 4.464 4.480 -0.001 0.000 0.265 18 M C 2.002 178.399 176.300 0.161 0.000 1.066 18 M CA 1.461 56.819 55.300 0.097 0.000 1.127 18 M CB -0.663 31.986 32.600 0.082 0.000 1.379 18 M HN 0.457 nan 8.290 nan 0.000 0.420 19 F N 1.631 121.589 119.950 0.014 0.000 2.134 19 F HA -0.079 4.447 4.527 -0.002 0.000 0.299 19 F C 2.356 178.167 175.800 0.018 0.000 1.097 19 F CA 1.270 59.282 58.000 0.020 0.000 1.264 19 F CB -0.710 38.301 39.000 0.019 0.000 1.001 19 F HN 0.045 nan 8.300 nan 0.000 0.479 20 A N 0.600 123.379 122.820 -0.069 0.000 1.933 20 A HA -0.131 4.188 4.320 -0.001 0.000 0.218 20 A C 2.405 179.920 177.584 -0.116 0.000 1.175 20 A CA 1.725 53.653 52.037 -0.183 0.000 0.628 20 A CB -1.147 17.802 19.000 -0.084 0.000 0.814 20 A HN 0.481 nan 8.150 nan 0.000 0.444 21 L N -0.918 120.286 121.223 -0.032 0.000 2.056 21 L HA -0.232 4.107 4.340 -0.001 0.000 0.207 21 L C 2.928 179.795 176.870 -0.004 0.000 1.078 21 L CA 1.816 56.649 54.840 -0.011 0.000 0.749 21 L CB -0.459 41.611 42.059 0.017 0.000 0.901 21 L HN 0.633 nan 8.230 nan 0.000 0.433 22 Q N 0.432 120.249 119.800 0.029 0.000 2.084 22 Q HA -0.217 4.122 4.340 -0.001 0.000 0.202 22 Q C 2.366 178.371 176.000 0.008 0.000 0.978 22 Q CA 1.523 57.367 55.803 0.068 0.000 0.844 22 Q CB -0.074 28.765 28.738 0.170 0.000 0.898 22 Q HN 0.496 nan 8.270 nan 0.000 0.426 23 L N 0.456 121.617 121.223 -0.105 0.000 2.042 23 L HA -0.178 4.162 4.340 -0.001 0.000 0.210 23 L C 2.610 179.409 176.870 -0.118 0.000 1.076 23 L CA 1.080 55.816 54.840 -0.174 0.000 0.749 23 L CB -0.645 41.182 42.059 -0.386 0.000 0.893 23 L HN 0.333 nan 8.230 nan 0.000 0.432 24 A N -0.482 122.276 122.820 -0.103 0.000 2.076 24 A HA -0.177 4.142 4.320 -0.001 0.000 0.220 24 A C 1.964 179.519 177.584 -0.049 0.000 1.160 24 A CA 1.920 53.913 52.037 -0.073 0.000 0.653 24 A CB -0.437 18.530 19.000 -0.056 0.000 0.801 24 A HN 0.535 nan 8.150 nan 0.000 0.455 25 S N -1.168 114.513 115.700 -0.032 0.000 2.843 25 S HA 0.177 4.646 4.470 -0.001 0.000 0.249 25 S C 0.900 175.491 174.600 -0.014 0.000 1.047 25 S CA 0.453 58.644 58.200 -0.016 0.000 1.042 25 S CB -0.324 62.879 63.200 0.005 0.000 0.936 25 S HN 0.693 nan 8.310 nan 0.000 0.531 26 S N 1.511 117.189 115.700 -0.037 0.000 2.595 26 S HA -0.081 4.388 4.470 -0.001 0.000 0.235 26 S C 1.710 176.260 174.600 -0.084 0.000 0.974 26 S CA 0.643 58.816 58.200 -0.046 0.000 0.942 26 S CB -0.789 62.375 63.200 -0.059 0.000 0.766 26 S HN 0.737 nan 8.310 nan 0.000 0.536 27 S N 0.821 116.475 115.700 -0.077 0.000 2.522 27 S HA 0.066 4.535 4.470 -0.001 0.000 0.227 27 S C 1.597 176.162 174.600 -0.059 0.000 0.986 27 S CA 0.453 58.603 58.200 -0.084 0.000 0.929 27 S CB -0.681 62.479 63.200 -0.067 0.000 0.769 27 S HN 0.353 nan 8.310 nan 0.000 0.529 28 V N 1.905 121.796 119.914 -0.039 0.000 2.255 28 V HA -0.167 3.952 4.120 -0.001 0.000 0.247 28 V C 2.454 178.521 176.094 -0.046 0.000 1.051 28 V CA 1.941 64.230 62.300 -0.018 0.000 1.018 28 V CB -0.905 30.931 31.823 0.021 0.000 0.641 28 V HN 0.504 nan 8.190 nan 0.000 0.445 29 L N 1.818 122.974 121.223 -0.113 0.000 1.955 29 L HA -0.087 4.252 4.340 -0.001 0.000 0.213 29 L C 0.247 177.040 176.870 -0.127 0.000 1.072 29 L CA 2.693 57.411 54.840 -0.203 0.000 0.755 29 L CB -1.957 39.816 42.059 -0.478 0.000 0.888 29 L HN 0.268 nan 8.230 nan 0.000 0.432 30 P HA -0.186 nan 4.420 nan 0.000 0.215 30 P C 1.742 179.026 177.300 -0.027 0.000 1.153 30 P CA 1.733 64.795 63.100 -0.063 0.000 0.853 30 P CB -0.226 31.430 31.700 -0.074 0.000 0.788 31 M N -0.873 118.713 119.600 -0.025 0.000 2.254 31 M HA -0.016 4.463 4.480 -0.001 0.000 0.265 31 M C 2.042 178.344 176.300 0.003 0.000 1.066 31 M CA 1.469 56.769 55.300 0.001 0.000 1.123 31 M CB -2.278 30.325 32.600 0.006 0.000 1.388 31 M HN -0.070 nan 8.290 nan 0.000 0.425 32 T N 1.578 116.128 114.554 -0.007 0.000 2.777 32 T HA -0.073 4.276 4.350 -0.001 0.000 0.266 32 T C 1.879 176.578 174.700 -0.002 0.000 1.040 32 T CA 0.971 63.070 62.100 -0.002 0.000 1.141 32 T CB -0.311 68.558 68.868 0.001 0.000 0.868 32 T HN 0.240 nan 8.240 nan 0.000 0.444 33 L N 1.712 122.931 121.223 -0.007 0.000 2.046 33 L HA 0.007 4.347 4.340 -0.001 0.000 0.208 33 L C 2.314 179.194 176.870 0.015 0.000 1.077 33 L CA 1.886 56.727 54.840 0.002 0.000 0.747 33 L CB -0.603 41.455 42.059 -0.002 0.000 0.896 33 L HN 0.079 nan 8.230 nan 0.000 0.432 34 K N -0.628 119.784 120.400 0.020 0.000 2.032 34 K HA -0.221 4.098 4.320 -0.001 0.000 0.209 34 K C 1.945 178.563 176.600 0.030 0.000 1.048 34 K CA 1.842 58.149 56.287 0.033 0.000 0.927 34 K CB -0.211 32.314 32.500 0.042 0.000 0.712 34 K HN 0.494 nan 8.250 nan 0.000 0.441 35 N N 0.338 119.052 118.700 0.023 0.000 2.244 35 N HA -0.123 4.616 4.740 -0.001 0.000 0.183 35 N C 1.719 177.237 175.510 0.013 0.000 1.016 35 N CA 1.104 54.167 53.050 0.020 0.000 0.866 35 N CB -0.095 38.402 38.487 0.017 0.000 0.980 35 N HN 0.291 nan 8.380 nan 0.000 0.430 36 A N 1.378 124.202 122.820 0.007 0.000 1.933 36 A HA -0.062 4.257 4.320 -0.001 0.000 0.218 36 A C 2.278 179.867 177.584 0.009 0.000 1.175 36 A CA 0.812 52.848 52.037 -0.001 0.000 0.628 36 A CB -0.505 18.489 19.000 -0.010 0.000 0.814 36 A HN 0.158 nan 8.150 nan 0.000 0.444 37 I N -0.490 120.091 120.570 0.018 0.000 2.202 37 I HA -0.248 3.921 4.170 -0.001 0.000 0.242 37 I C 2.485 178.617 176.117 0.025 0.000 1.091 37 I CA 1.600 62.915 61.300 0.025 0.000 1.368 37 I CB -0.419 37.602 38.000 0.035 0.000 1.058 37 I HN 0.408 nan 8.210 nan 0.000 0.410 38 E N 0.666 120.882 120.200 0.027 0.000 2.110 38 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 38 E C 2.200 178.813 176.600 0.022 0.000 0.988 38 E CA 1.112 57.528 56.400 0.027 0.000 0.804 38 E CB -0.113 29.607 29.700 0.032 0.000 0.745 38 E HN 0.472 nan 8.360 nan 0.000 0.458 39 L N -0.505 120.728 121.223 0.017 0.000 2.376 39 L HA 0.029 4.368 4.340 -0.001 0.000 0.219 39 L C 1.442 178.319 176.870 0.012 0.000 1.133 39 L CA 0.551 55.399 54.840 0.013 0.000 0.816 39 L CB -0.105 41.958 42.059 0.008 0.000 0.933 39 L HN 0.339 nan 8.230 nan 0.000 0.449 40 G N -0.479 108.329 108.800 0.013 0.000 2.137 40 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.237 40 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.237 40 G C 0.814 175.719 174.900 0.009 0.000 1.002 40 G CA 0.338 45.445 45.100 0.013 0.000 0.702 40 G HN 0.288 nan 8.290 nan 0.000 0.515 41 L N -0.562 120.663 121.223 0.004 0.000 2.046 41 L HA -0.016 4.323 4.340 -0.001 0.000 0.208 41 L C 3.021 179.893 176.870 0.002 0.000 1.077 41 L CA 1.614 56.452 54.840 -0.003 0.000 0.747 41 L CB -0.507 41.539 42.059 -0.022 0.000 0.896 41 L HN 0.370 nan 8.230 nan 0.000 0.432 42 L N -0.541 120.685 121.223 0.006 0.000 2.093 42 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 42 L C 2.513 179.390 176.870 0.012 0.000 1.085 42 L CA 1.137 55.984 54.840 0.012 0.000 0.755 42 L CB -0.568 41.502 42.059 0.019 0.000 0.904 42 L HN 0.313 nan 8.230 nan 0.000 0.435 43 E N 0.609 120.816 120.200 0.011 0.000 2.077 43 E HA -0.202 4.147 4.350 -0.001 0.000 0.193 43 E C 2.301 178.906 176.600 0.009 0.000 0.989 43 E CA 1.165 57.570 56.400 0.008 0.000 0.800 43 E CB -0.118 29.588 29.700 0.009 0.000 0.746 43 E HN 0.487 nan 8.360 nan 0.000 0.452 44 I N 1.202 121.779 120.570 0.012 0.000 2.226 44 I HA -0.294 3.875 4.170 -0.001 0.000 0.245 44 I C 2.407 178.536 176.117 0.021 0.000 1.100 44 I CA 1.091 62.401 61.300 0.016 0.000 1.374 44 I CB -0.249 37.762 38.000 0.018 0.000 1.057 44 I HN 0.114 nan 8.210 nan 0.000 0.413 45 L N -0.209 121.028 121.223 0.025 0.000 2.046 45 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 45 L C 2.563 179.447 176.870 0.022 0.000 1.077 45 L CA 0.954 55.815 54.840 0.034 0.000 0.747 45 L CB -0.587 41.499 42.059 0.044 0.000 0.896 45 L HN 0.091 nan 8.230 nan 0.000 0.432 46 V N 0.096 120.017 119.914 0.011 0.000 2.427 46 V HA -0.220 3.900 4.120 -0.001 0.000 0.248 46 V C 2.659 178.751 176.094 -0.002 0.000 1.051 46 V CA 1.641 63.940 62.300 -0.002 0.000 1.048 46 V CB -0.637 31.178 31.823 -0.013 0.000 0.666 46 V HN 0.466 nan 8.190 nan 0.000 0.456 47 A N -0.105 122.717 122.820 0.002 0.000 2.067 47 A HA 0.056 4.375 4.320 -0.001 0.000 0.219 47 A C 2.268 179.855 177.584 0.005 0.000 1.158 47 A CA 1.402 53.440 52.037 0.002 0.000 0.661 47 A CB -0.467 18.536 19.000 0.004 0.000 0.801 47 A HN 0.550 nan 8.150 nan 0.000 0.452 48 A N -1.403 121.424 122.820 0.010 0.000 2.209 48 A HA 0.386 4.705 4.320 -0.001 0.000 0.212 48 A C 1.930 179.519 177.584 0.008 0.000 1.158 48 A CA 1.479 53.524 52.037 0.013 0.000 0.742 48 A CB -1.029 17.985 19.000 0.023 0.000 0.790 48 A HN 1.901 nan 8.150 nan 0.000 0.472 49 G N -1.332 107.470 108.800 0.003 0.000 2.559 49 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.282 49 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.282 49 G C 1.177 176.078 174.900 0.001 0.000 1.177 49 G CA 0.372 45.471 45.100 -0.001 0.000 0.960 49 G HN 1.377 nan 8.290 nan 0.000 0.540 50 G N 0.595 109.396 108.800 0.002 0.000 3.062 50 G HA2 0.447 4.406 3.960 -0.001 0.000 0.228 50 G HA3 0.447 4.406 3.960 -0.001 0.000 0.228 50 G C 0.642 175.546 174.900 0.007 0.000 1.094 50 G CA 1.203 46.306 45.100 0.004 0.000 0.782 50 G HN 0.706 nan 8.290 nan 0.000 0.541 51 K N 1.072 121.477 120.400 0.008 0.000 2.202 51 K HA 0.426 4.745 4.320 -0.001 0.000 0.264 51 K C -0.328 176.281 176.600 0.015 0.000 1.010 51 K CA -0.247 56.044 56.287 0.008 0.000 0.940 51 K CB 0.627 33.131 32.500 0.007 0.000 0.983 51 K HN 0.053 nan 8.250 nan 0.000 0.475 52 S N 2.373 118.079 115.700 0.010 0.000 2.617 52 S HA 0.465 4.934 4.470 -0.001 0.000 0.283 52 S C -0.508 174.105 174.600 0.021 0.000 1.189 52 S CA -0.799 57.411 58.200 0.016 0.000 1.036 52 S CB 0.682 63.873 63.200 -0.014 0.000 1.014 52 S HN 0.424 nan 8.310 nan 0.000 0.522 53 L N 2.086 123.339 121.223 0.050 0.000 2.354 53 L HA 0.531 4.870 4.340 -0.001 0.000 0.269 53 L C 0.637 177.552 176.870 0.077 0.000 1.005 53 L CA -0.904 53.970 54.840 0.058 0.000 0.819 53 L CB 2.082 44.184 42.059 0.071 0.000 1.311 53 L HN 0.688 nan 8.230 nan 0.000 0.423 54 T N -1.861 112.726 114.554 0.055 0.000 2.849 54 T HA 0.273 4.623 4.350 -0.001 0.000 0.284 54 T C -2.029 172.738 174.700 0.113 0.000 1.004 54 T CA -1.673 60.464 62.100 0.061 0.000 1.021 54 T CB 1.435 70.321 68.868 0.030 0.000 1.013 54 T HN 0.308 nan 8.240 nan 0.000 0.527 55 P HA -0.091 nan 4.420 nan 0.000 0.216 55 P C 1.657 179.003 177.300 0.076 0.000 1.150 55 P CA 1.218 64.398 63.100 0.134 0.000 0.843 55 P CB -0.221 31.561 31.700 0.136 0.000 0.787 56 T N -0.461 114.128 114.554 0.059 0.000 2.708 56 T HA -0.169 4.180 4.350 -0.001 0.000 0.266 56 T C 1.589 176.311 174.700 0.037 0.000 1.037 56 T CA 1.408 63.532 62.100 0.041 0.000 1.146 56 T CB -0.680 68.207 68.868 0.032 0.000 0.865 56 T HN 0.353 nan 8.240 nan 0.000 0.435 57 E N 0.411 120.635 120.200 0.041 0.000 2.106 57 E HA -0.075 4.274 4.350 -0.001 0.000 0.192 57 E C 2.362 178.984 176.600 0.038 0.000 0.984 57 E CA 0.870 57.291 56.400 0.035 0.000 0.806 57 E CB -0.202 29.519 29.700 0.035 0.000 0.750 57 E HN 0.276 nan 8.360 nan 0.000 0.458 58 V N 1.507 121.451 119.914 0.050 0.000 2.358 58 V HA -0.241 3.879 4.120 -0.001 0.000 0.246 58 V C 2.359 178.471 176.094 0.030 0.000 1.047 58 V CA 1.822 64.148 62.300 0.043 0.000 1.035 58 V CB -0.676 31.179 31.823 0.054 0.000 0.658 58 V HN 0.304 nan 8.190 nan 0.000 0.452 59 A N 0.005 122.844 122.820 0.031 0.000 1.969 59 A HA -0.039 4.280 4.320 -0.001 0.000 0.218 59 A C 2.369 179.965 177.584 0.020 0.000 1.169 59 A CA 1.770 53.821 52.037 0.024 0.000 0.635 59 A CB -0.632 18.383 19.000 0.025 0.000 0.810 59 A HN 0.565 nan 8.150 nan 0.000 0.445 60 A N -0.662 122.171 122.820 0.022 0.000 2.015 60 A HA -0.069 4.250 4.320 -0.001 0.000 0.219 60 A C 1.919 179.512 177.584 0.016 0.000 1.163 60 A CA 1.904 53.952 52.037 0.018 0.000 0.646 60 A CB -0.254 18.757 19.000 0.018 0.000 0.806 60 A HN 0.327 nan 8.150 nan 0.000 0.448 61 K N -0.587 119.823 120.400 0.017 0.000 2.486 61 K HA 0.246 4.565 4.320 -0.001 0.000 0.194 61 K C 0.247 176.856 176.600 0.014 0.000 1.033 61 K CA 0.241 56.537 56.287 0.015 0.000 1.004 61 K CB -0.279 32.231 32.500 0.017 0.000 0.798 61 K HN 0.535 nan 8.250 nan 0.000 0.495 62 L N 0.250 121.482 121.223 0.014 0.000 2.387 62 L HA 0.361 4.700 4.340 -0.001 0.000 0.266 62 L C -1.870 175.008 176.870 0.013 0.000 1.059 62 L CA -2.175 52.673 54.840 0.013 0.000 0.801 62 L CB 0.787 42.854 42.059 0.013 0.000 1.223 62 L HN -0.219 nan 8.230 nan 0.000 0.456 63 P HA 0.057 nan 4.420 nan 0.000 0.220 63 P C -0.012 177.295 177.300 0.012 0.000 1.793 63 P CA -0.072 63.035 63.100 0.012 0.000 0.917 63 P CB -0.033 31.674 31.700 0.012 0.000 1.755 64 S N -1.304 114.403 115.700 0.013 0.000 2.596 64 S HA 0.400 4.869 4.470 -0.001 0.000 0.248 64 S C 1.430 176.038 174.600 0.012 0.000 1.162 64 S CA -0.196 58.012 58.200 0.013 0.000 1.185 64 S CB -0.224 62.984 63.200 0.013 0.000 0.833 64 S HN 0.133 nan 8.310 nan 0.000 0.472 65 A N 1.197 124.024 122.820 0.012 0.000 2.066 65 A HA 0.428 4.747 4.320 -0.001 0.000 0.218 65 A C 2.184 179.774 177.584 0.011 0.000 1.157 65 A CA 0.964 53.008 52.037 0.011 0.000 0.670 65 A CB -0.841 18.165 19.000 0.010 0.000 0.804 65 A HN 0.995 nan 8.150 nan 0.000 0.453 66 A N -0.828 121.998 122.820 0.011 0.000 2.235 66 A HA 0.109 4.428 4.320 -0.001 0.000 0.208 66 A C 0.746 178.337 177.584 0.011 0.000 1.172 66 A CA 0.520 52.563 52.037 0.010 0.000 0.786 66 A CB -0.355 18.651 19.000 0.010 0.000 0.804 66 A HN 0.372 nan 8.150 nan 0.000 0.479 67 N N -0.415 118.292 118.700 0.011 0.000 2.682 67 N HA 0.379 5.118 4.740 -0.001 0.000 0.252 67 N C -2.519 172.999 175.510 0.013 0.000 1.081 67 N CA -1.938 51.119 53.050 0.012 0.000 0.844 67 N CB 1.431 39.925 38.487 0.013 0.000 1.167 67 N HN -0.153 nan 8.380 nan 0.000 0.523 68 P HA -0.040 nan 4.420 nan 0.000 0.222 68 P C 0.095 177.404 177.300 0.015 0.000 1.147 68 P CA 1.104 64.212 63.100 0.013 0.000 0.790 68 P CB 0.389 32.096 31.700 0.012 0.000 0.780 69 E N -1.015 119.194 120.200 0.015 0.000 2.479 69 E HA 0.140 4.489 4.350 -0.001 0.000 0.193 69 E C 1.809 178.420 176.600 0.018 0.000 1.049 69 E CA 0.065 56.475 56.400 0.016 0.000 0.870 69 E CB -0.149 29.560 29.700 0.015 0.000 0.944 69 E HN 0.155 nan 8.360 nan 0.000 0.492 70 A N 2.524 125.354 122.820 0.017 0.000 1.892 70 A HA -0.143 4.176 4.320 -0.001 0.000 0.218 70 A C -0.272 177.324 177.584 0.021 0.000 1.188 70 A CA 1.310 53.357 52.037 0.017 0.000 0.631 70 A CB -1.370 17.640 19.000 0.016 0.000 0.822 70 A HN 0.134 nan 8.150 nan 0.000 0.447 71 P HA -0.148 nan 4.420 nan 0.000 0.215 71 P C 0.927 178.252 177.300 0.041 0.000 1.153 71 P CA 1.669 64.790 63.100 0.035 0.000 0.853 71 P CB -0.056 31.665 31.700 0.035 0.000 0.788 72 D N -1.341 119.079 120.400 0.034 0.000 2.117 72 D HA -0.130 4.509 4.640 -0.001 0.000 0.198 72 D C 1.862 178.180 176.300 0.031 0.000 0.982 72 D CA 1.261 55.283 54.000 0.036 0.000 0.828 72 D CB -0.492 40.325 40.800 0.029 0.000 0.967 72 D HN 0.003 nan 8.370 nan 0.000 0.464 73 M N -0.441 119.171 119.600 0.021 0.000 2.117 73 M HA -0.128 4.351 4.480 -0.001 0.000 0.262 73 M C 2.263 178.564 176.300 0.002 0.000 1.065 73 M CA 0.839 56.147 55.300 0.013 0.000 1.114 73 M CB -0.173 32.434 32.600 0.011 0.000 1.361 73 M HN -0.021 nan 8.290 nan 0.000 0.408 74 V N 0.689 120.604 119.914 0.002 0.000 2.343 74 V HA -0.279 3.840 4.120 -0.001 0.000 0.247 74 V C 2.078 178.141 176.094 -0.050 0.000 1.051 74 V CA 2.171 64.457 62.300 -0.023 0.000 1.036 74 V CB -0.736 31.084 31.823 -0.005 0.000 0.654 74 V HN 0.472 nan 8.190 nan 0.000 0.451 75 D N 0.289 120.700 120.400 0.019 0.000 2.104 75 D HA -0.194 4.445 4.640 -0.001 0.000 0.194 75 D C 2.355 178.675 176.300 0.034 0.000 0.994 75 D CA 1.583 55.633 54.000 0.084 0.000 0.830 75 D CB -0.115 40.766 40.800 0.135 0.000 0.959 75 D HN 0.381 nan 8.370 nan 0.000 0.452 76 R N -0.317 120.197 120.500 0.022 0.000 2.115 76 R HA 0.058 4.397 4.340 -0.001 0.000 0.230 76 R C 2.630 178.922 176.300 -0.012 0.000 1.111 76 R CA 0.773 56.886 56.100 0.021 0.000 0.976 76 R CB -0.128 30.187 30.300 0.025 0.000 0.870 76 R HN 0.305 nan 8.270 nan 0.000 0.445 77 I N 0.718 121.260 120.570 -0.046 0.000 2.202 77 I HA -0.269 3.900 4.170 -0.001 0.000 0.242 77 I C 2.074 178.121 176.117 -0.117 0.000 1.091 77 I CA 1.331 62.596 61.300 -0.058 0.000 1.368 77 I CB -0.165 37.800 38.000 -0.058 0.000 1.058 77 I HN 0.133 nan 8.210 nan 0.000 0.410 78 L N 0.158 121.218 121.223 -0.273 0.000 2.201 78 L HA -0.155 4.184 4.340 -0.001 0.000 0.212 78 L C 2.705 179.356 176.870 -0.365 0.000 1.105 78 L CA 0.938 55.462 54.840 -0.526 0.000 0.775 78 L CB -0.516 40.792 42.059 -1.252 0.000 0.913 78 L HN 0.230 nan 8.230 nan 0.000 0.440 79 R N 0.404 120.825 120.500 -0.132 0.000 2.075 79 R HA -0.164 4.175 4.340 -0.001 0.000 0.232 79 R C 2.365 178.715 176.300 0.085 0.000 1.126 79 R CA 1.091 57.265 56.100 0.123 0.000 0.963 79 R CB -0.149 30.243 30.300 0.152 0.000 0.858 79 R HN 0.259 nan 8.270 nan 0.000 0.435 80 L N 1.179 122.436 121.223 0.056 0.000 2.017 80 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 80 L C 1.976 178.947 176.870 0.167 0.000 1.073 80 L CA 1.767 56.671 54.840 0.107 0.000 0.745 80 L CB -0.824 41.292 42.059 0.095 0.000 0.894 80 L HN 0.368 nan 8.230 nan 0.000 0.432 81 L N 0.161 121.444 121.223 0.101 0.000 2.083 81 L HA -0.177 4.162 4.340 -0.001 0.000 0.209 81 L C 2.887 179.844 176.870 0.145 0.000 1.083 81 L CA 1.174 56.088 54.840 0.123 0.000 0.752 81 L CB -0.828 41.249 42.059 0.030 0.000 0.899 81 L HN 0.343 nan 8.230 nan 0.000 0.433 82 A N 0.249 123.136 122.820 0.111 0.000 1.933 82 A HA -0.223 4.096 4.320 -0.001 0.000 0.218 82 A C 2.500 180.142 177.584 0.095 0.000 1.175 82 A CA 1.921 54.040 52.037 0.138 0.000 0.628 82 A CB -0.658 18.480 19.000 0.230 0.000 0.814 82 A HN 0.535 nan 8.150 nan 0.000 0.444 83 S N -2.037 113.698 115.700 0.058 0.000 2.474 83 S HA -0.115 4.354 4.470 -0.001 0.000 0.235 83 S C 1.290 175.769 174.600 -0.202 0.000 0.997 83 S CA 1.135 59.289 58.200 -0.077 0.000 0.949 83 S CB -0.594 62.523 63.200 -0.137 0.000 0.766 83 S HN 0.560 nan 8.310 nan 0.000 0.517 84 Y N 1.901 122.230 120.300 0.048 0.000 2.555 84 Y HA 0.376 4.926 4.550 -0.002 0.000 0.259 84 Y C 0.507 176.437 175.900 0.049 0.000 1.179 84 Y CA -0.736 57.392 58.100 0.047 0.000 1.230 84 Y CB -0.140 38.348 38.460 0.047 0.000 1.146 84 Y HN 0.173 nan 8.280 nan 0.000 0.526 85 N N -1.125 117.660 118.700 0.142 0.000 2.747 85 N HA -0.179 4.560 4.740 -0.001 0.000 0.249 85 N C 0.746 176.330 175.510 0.123 0.000 1.107 85 N CA 0.952 54.070 53.050 0.113 0.000 0.707 85 N CB -1.572 36.970 38.487 0.091 0.000 1.054 85 N HN 0.234 nan 8.380 nan 0.000 0.555 86 V N -0.959 119.036 119.914 0.136 0.000 2.878 86 V HA 0.012 4.131 4.120 -0.001 0.000 0.250 86 V C 1.274 177.421 176.094 0.088 0.000 1.075 86 V CA 1.496 63.862 62.300 0.109 0.000 1.096 86 V CB 0.292 32.175 31.823 0.100 0.000 0.724 86 V HN 0.388 nan 8.190 nan 0.000 0.467 87 V N -3.067 116.904 119.914 0.095 0.000 3.160 87 V HA 0.795 4.914 4.120 -0.001 0.000 0.310 87 V C -0.379 175.793 176.094 0.130 0.000 1.181 87 V CA -0.301 62.059 62.300 0.100 0.000 1.047 87 V CB 1.609 33.483 31.823 0.086 0.000 1.068 87 V HN 0.219 nan 8.190 nan 0.000 0.441 88 T N -0.923 113.715 114.554 0.140 0.000 2.928 88 T HA 0.690 5.039 4.350 -0.001 0.000 0.284 88 T C -0.382 174.422 174.700 0.173 0.000 1.008 88 T CA -0.442 61.730 62.100 0.121 0.000 1.057 88 T CB 1.235 70.146 68.868 0.073 0.000 1.018 88 T HN 1.526 nan 8.240 nan 0.000 0.493 89 C N 3.855 123.209 119.300 0.089 0.000 2.535 89 C HA 0.772 5.231 4.460 -0.001 0.000 0.319 89 C C -1.127 173.798 174.990 -0.108 0.000 1.171 89 C CA -0.845 58.150 59.018 -0.038 0.000 1.394 89 C CB 0.280 28.058 27.740 0.064 0.000 1.990 89 C HN 1.014 nan 8.230 nan 0.000 0.466 90 L N 6.286 127.386 121.223 -0.205 0.000 2.333 90 L HA 0.825 5.164 4.340 -0.001 0.000 0.280 90 L C -0.491 176.279 176.870 -0.167 0.000 1.004 90 L CA -0.072 54.685 54.840 -0.139 0.000 0.820 90 L CB 1.675 43.668 42.059 -0.110 0.000 1.247 90 L HN 0.633 nan 8.230 nan 0.000 0.416 91 V N 5.081 124.932 119.914 -0.105 0.000 2.581 91 V HA 0.620 4.739 4.120 -0.001 0.000 0.303 91 V C -0.861 175.196 176.094 -0.060 0.000 1.041 91 V CA -0.340 61.907 62.300 -0.089 0.000 0.907 91 V CB 1.977 33.764 31.823 -0.060 0.000 0.994 91 V HN 0.945 nan 8.190 nan 0.000 0.442 92 E N 3.977 124.146 120.200 -0.053 0.000 2.224 92 E HA 0.397 4.747 4.350 -0.001 0.000 0.265 92 E C -1.110 175.475 176.600 -0.025 0.000 0.878 92 E CA -0.557 55.821 56.400 -0.036 0.000 0.759 92 E CB 1.713 31.391 29.700 -0.036 0.000 1.164 92 E HN 0.820 nan 8.360 nan 0.000 0.414 93 E N 3.016 123.204 120.200 -0.019 0.000 2.134 93 E HA 0.409 4.758 4.350 -0.001 0.000 0.278 93 E C -0.261 176.333 176.600 -0.010 0.000 0.959 93 E CA -0.589 55.804 56.400 -0.013 0.000 0.783 93 E CB 1.092 30.786 29.700 -0.010 0.000 1.095 93 E HN 0.653 nan 8.360 nan 0.000 0.399 94 G N 2.840 111.636 108.800 -0.008 0.000 2.616 94 G HA2 0.008 3.967 3.960 -0.001 0.000 0.268 94 G HA3 0.008 3.967 3.960 -0.001 0.000 0.268 94 G C 0.631 175.528 174.900 -0.004 0.000 1.213 94 G CA -0.415 44.681 45.100 -0.006 0.000 0.926 94 G HN 0.520 nan 8.290 nan 0.000 0.523 95 K N 0.178 120.576 120.400 -0.003 0.000 2.362 95 K HA -0.055 4.264 4.320 -0.001 0.000 0.200 95 K C 1.467 178.066 176.600 -0.001 0.000 1.046 95 K CA 1.045 57.331 56.287 -0.002 0.000 0.952 95 K CB 0.093 32.592 32.500 -0.002 0.000 0.753 95 K HN 0.699 nan 8.250 nan 0.000 0.466 96 D N -1.127 119.272 120.400 -0.001 0.000 2.342 96 D HA 0.081 4.720 4.640 -0.001 0.000 0.221 96 D C 1.098 177.399 176.300 0.000 0.000 1.101 96 D CA 0.570 54.570 54.000 0.000 0.000 0.837 96 D CB 0.173 40.973 40.800 0.001 0.000 0.938 96 D HN 0.183 nan 8.370 nan 0.000 0.508 97 G N 1.053 109.852 108.800 -0.001 0.000 2.217 97 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.246 97 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.246 97 G C 0.412 175.312 174.900 -0.000 0.000 0.990 97 G CA 0.056 45.156 45.100 -0.000 0.000 0.627 97 G HN 0.617 nan 8.290 nan 0.000 0.522 98 R N 0.647 121.147 120.500 0.001 0.000 2.585 98 R HA 0.433 4.772 4.340 -0.001 0.000 0.275 98 R C 0.056 176.355 176.300 -0.001 0.000 1.018 98 R CA 0.051 56.152 56.100 0.002 0.000 1.072 98 R CB 0.003 30.304 30.300 0.003 0.000 0.953 98 R HN 0.307 nan 8.270 nan 0.000 0.419 99 L N 3.805 125.028 121.223 -0.000 0.000 2.307 99 L HA 0.361 4.700 4.340 -0.001 0.000 0.284 99 L C -0.260 176.606 176.870 -0.007 0.000 1.023 99 L CA -0.716 54.120 54.840 -0.006 0.000 0.810 99 L CB 1.963 44.019 42.059 -0.004 0.000 1.231 99 L HN 0.766 nan 8.230 nan 0.000 0.423 100 S N 2.725 118.413 115.700 -0.020 0.000 2.500 100 S HA 0.744 5.213 4.470 -0.001 0.000 0.301 100 S C -0.563 173.998 174.600 -0.065 0.000 1.092 100 S CA -1.066 57.118 58.200 -0.025 0.000 1.030 100 S CB 2.240 65.428 63.200 -0.021 0.000 1.031 100 S HN 0.592 nan 8.310 nan 0.000 0.483 101 R N 1.029 121.475 120.500 -0.089 0.000 2.787 101 R HA 0.806 5.146 4.340 -0.001 0.000 0.271 101 R C -0.634 175.460 176.300 -0.344 0.000 0.993 101 R CA -0.653 55.300 56.100 -0.246 0.000 0.993 101 R CB 2.050 32.175 30.300 -0.291 0.000 1.155 101 R HN 0.898 nan 8.270 nan 0.000 0.486 102 S N 0.591 115.973 115.700 -0.530 0.000 2.549 102 S HA 0.608 5.077 4.470 -0.001 0.000 0.280 102 S C -1.340 172.892 174.600 -0.614 0.000 1.109 102 S CA -0.905 57.059 58.200 -0.393 0.000 0.905 102 S CB 1.091 64.192 63.200 -0.166 0.000 1.081 102 S HN 0.471 nan 8.310 nan 0.000 0.477 103 Y N 0.086 120.394 120.300 0.013 0.000 2.536 103 Y HA 0.837 5.386 4.550 -0.002 0.000 0.347 103 Y C 0.775 176.683 175.900 0.013 0.000 1.000 103 Y CA -0.544 57.565 58.100 0.015 0.000 1.051 103 Y CB 2.418 40.890 38.460 0.020 0.000 1.259 103 Y HN 1.140 nan 8.280 nan 0.000 0.468 104 G N -0.101 108.804 108.800 0.174 0.000 2.798 104 G HA2 0.676 4.635 3.960 -0.001 0.000 0.286 104 G HA3 0.676 4.635 3.960 -0.001 0.000 0.286 104 G C -1.574 173.380 174.900 0.090 0.000 1.389 104 G CA -0.951 44.208 45.100 0.099 0.000 0.894 104 G HN 0.777 nan 8.290 nan 0.000 0.488 105 A N -0.816 122.037 122.820 0.055 0.000 2.354 105 A HA 0.773 5.092 4.320 -0.001 0.000 0.269 105 A C 0.625 178.233 177.584 0.041 0.000 1.109 105 A CA 0.483 52.545 52.037 0.042 0.000 0.800 105 A CB 0.475 19.485 19.000 0.018 0.000 1.045 105 A HN 1.856 nan 8.150 nan 0.000 0.489 106 A N 2.956 125.803 122.820 0.046 0.000 2.269 106 A HA 0.742 5.061 4.320 -0.001 0.000 0.327 106 A C -1.654 175.952 177.584 0.037 0.000 1.112 106 A CA -1.717 50.350 52.037 0.050 0.000 0.865 106 A CB 0.181 19.223 19.000 0.068 0.000 1.227 106 A HN 0.530 nan 8.150 nan 0.000 0.498 107 P HA -0.173 nan 4.420 nan 0.000 0.216 107 P C 1.497 178.833 177.300 0.060 0.000 1.157 107 P CA 1.412 64.536 63.100 0.040 0.000 0.880 107 P CB 0.090 31.833 31.700 0.073 0.000 0.791 108 V N -0.822 119.164 119.914 0.120 0.000 2.688 108 V HA -0.272 3.847 4.120 -0.001 0.000 0.256 108 V C 1.988 178.160 176.094 0.130 0.000 1.084 108 V CA 1.839 64.253 62.300 0.191 0.000 1.103 108 V CB -1.242 30.678 31.823 0.161 0.000 0.688 108 V HN 0.215 nan 8.190 nan 0.000 0.480 109 C N -0.026 119.305 119.300 0.053 0.000 2.419 109 C HA -0.123 4.336 4.460 -0.001 0.000 0.281 109 C C 2.537 177.501 174.990 -0.043 0.000 1.336 109 C CA 1.227 60.257 59.018 0.021 0.000 1.770 109 C CB -1.170 26.577 27.740 0.012 0.000 1.929 109 C HN 0.599 nan 8.230 nan 0.000 0.509 110 K N 0.218 120.521 120.400 -0.162 0.000 2.097 110 K HA -0.110 4.209 4.320 -0.001 0.000 0.206 110 K C 1.034 177.413 176.600 -0.368 0.000 1.049 110 K CA 1.375 57.452 56.287 -0.350 0.000 0.933 110 K CB -0.267 31.853 32.500 -0.634 0.000 0.717 110 K HN 0.463 nan 8.250 nan 0.000 0.442 111 F N 0.212 120.183 119.950 0.035 0.000 2.692 111 F HA 0.169 4.695 4.527 -0.002 0.000 0.303 111 F C 1.221 177.046 175.800 0.042 0.000 1.114 111 F CA 0.305 58.329 58.000 0.039 0.000 1.361 111 F CB 0.180 39.212 39.000 0.052 0.000 1.063 111 F HN -0.118 nan 8.300 nan 0.000 0.550 112 L N -0.558 120.751 121.223 0.145 0.000 3.016 112 L HA 0.226 4.566 4.340 -0.001 0.000 0.267 112 L C 0.245 177.153 176.870 0.063 0.000 1.182 112 L CA 0.011 54.916 54.840 0.109 0.000 0.997 112 L CB 0.310 42.428 42.059 0.097 0.000 1.354 112 L HN 0.035 nan 8.230 nan 0.000 0.569 113 T N -3.762 110.815 114.554 0.038 0.000 2.906 113 T HA 0.518 4.868 4.350 -0.001 0.000 0.295 113 T C -2.891 171.814 174.700 0.009 0.000 1.061 113 T CA -2.320 59.790 62.100 0.016 0.000 1.000 113 T CB 1.863 70.729 68.868 -0.003 0.000 1.103 113 T HN -0.324 nan 8.240 nan 0.000 0.486 114 P HA 0.082 nan 4.420 nan 0.000 0.260 114 P C -0.195 177.098 177.300 -0.012 0.000 1.172 114 P CA 0.103 63.206 63.100 0.005 0.000 0.760 114 P CB 0.226 31.929 31.700 0.004 0.000 0.773 115 N N 2.645 121.339 118.700 -0.010 0.000 2.593 115 N HA 0.051 4.790 4.740 -0.001 0.000 0.304 115 N C 1.203 176.699 175.510 -0.023 0.000 1.296 115 N CA -0.441 52.593 53.050 -0.027 0.000 0.950 115 N CB -0.223 38.253 38.487 -0.019 0.000 1.127 115 N HN 0.421 nan 8.380 nan 0.000 0.587 116 E N -0.893 119.290 120.200 -0.029 0.000 2.086 116 E HA -0.274 4.075 4.350 -0.001 0.000 0.200 116 E C 0.029 176.618 176.600 -0.019 0.000 1.012 116 E CA 1.913 58.298 56.400 -0.025 0.000 0.812 116 E CB -0.498 29.184 29.700 -0.030 0.000 0.743 116 E HN 0.559 nan 8.360 nan 0.000 0.453 117 D N 0.095 120.484 120.400 -0.019 0.000 2.340 117 D HA 0.078 4.717 4.640 -0.001 0.000 0.220 117 D C 0.940 177.237 176.300 -0.004 0.000 1.039 117 D CA 0.890 54.882 54.000 -0.014 0.000 0.866 117 D CB 0.633 41.419 40.800 -0.023 0.000 0.913 117 D HN 0.477 nan 8.370 nan 0.000 0.523 118 G N 1.064 109.863 108.800 -0.003 0.000 2.182 118 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.248 118 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.248 118 G C 0.342 175.249 174.900 0.011 0.000 1.042 118 G CA 0.549 45.651 45.100 0.004 0.000 0.775 118 G HN 0.432 nan 8.290 nan 0.000 0.501 119 V N -3.451 116.470 119.914 0.013 0.000 3.141 119 V HA 1.036 5.156 4.120 -0.001 0.000 0.312 119 V C 0.090 176.211 176.094 0.045 0.000 1.157 119 V CA 0.250 62.565 62.300 0.024 0.000 1.041 119 V CB 1.868 33.699 31.823 0.014 0.000 1.071 119 V HN 2.086 nan 8.190 nan 0.000 0.441 120 S N 1.180 116.919 115.700 0.066 0.000 2.669 120 S HA 0.441 4.911 4.470 -0.001 0.000 0.266 120 S C -0.057 174.613 174.600 0.118 0.000 1.149 120 S CA -0.564 57.702 58.200 0.109 0.000 0.842 120 S CB 1.289 64.550 63.200 0.101 0.000 1.160 120 S HN 0.752 nan 8.310 nan 0.000 0.487 121 M N 1.113 120.803 119.600 0.149 0.000 2.561 121 M HA 0.310 4.789 4.480 -0.001 0.000 0.238 121 M C 1.992 178.364 176.300 0.119 0.000 1.131 121 M CA 0.878 56.267 55.300 0.148 0.000 1.046 121 M CB -1.689 31.007 32.600 0.160 0.000 1.532 121 M HN 0.861 nan 8.290 nan 0.000 0.497 122 A N 0.633 123.513 122.820 0.100 0.000 1.933 122 A HA -0.002 4.317 4.320 -0.001 0.000 0.218 122 A C 2.426 180.050 177.584 0.067 0.000 1.175 122 A CA 1.875 53.958 52.037 0.078 0.000 0.628 122 A CB -0.578 18.461 19.000 0.063 0.000 0.814 122 A HN 0.461 nan 8.150 nan 0.000 0.444 123 A N -0.360 122.497 122.820 0.062 0.000 1.933 123 A HA -0.024 4.296 4.320 -0.001 0.000 0.218 123 A C 2.125 179.734 177.584 0.041 0.000 1.175 123 A CA 1.433 53.494 52.037 0.041 0.000 0.628 123 A CB -0.518 18.498 19.000 0.027 0.000 0.814 123 A HN 0.478 nan 8.150 nan 0.000 0.444 124 L N -1.038 120.226 121.223 0.067 0.000 2.156 124 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 124 L C 3.040 179.958 176.870 0.080 0.000 1.095 124 L CA 0.814 55.695 54.840 0.068 0.000 0.770 124 L CB -0.443 41.681 42.059 0.109 0.000 0.914 124 L HN 0.449 nan 8.230 nan 0.000 0.439 125 A N 0.155 123.025 122.820 0.084 0.000 1.898 125 A HA -0.136 4.183 4.320 -0.001 0.000 0.216 125 A C 2.196 179.828 177.584 0.081 0.000 1.181 125 A CA 1.224 53.310 52.037 0.082 0.000 0.620 125 A CB -0.554 18.491 19.000 0.074 0.000 0.819 125 A HN 0.359 nan 8.150 nan 0.000 0.442 126 L N -1.186 120.081 121.223 0.073 0.000 2.141 126 L HA -0.127 4.212 4.340 -0.001 0.000 0.209 126 L C 2.756 179.690 176.870 0.107 0.000 1.094 126 L CA 1.384 56.271 54.840 0.079 0.000 0.763 126 L CB -0.423 41.672 42.059 0.061 0.000 0.908 126 L HN 0.579 nan 8.230 nan 0.000 0.437 127 M N 0.061 119.720 119.600 0.098 0.000 2.081 127 M HA -0.153 4.327 4.480 -0.001 0.000 0.261 127 M C 1.986 178.410 176.300 0.207 0.000 1.075 127 M CA 1.696 57.081 55.300 0.142 0.000 1.133 127 M CB -0.162 32.470 32.600 0.053 0.000 1.330 127 M HN 0.216 nan 8.290 nan 0.000 0.414 128 N N 0.628 119.427 118.700 0.164 0.000 2.205 128 N HA -0.181 4.559 4.740 -0.001 0.000 0.186 128 N C 0.977 176.607 175.510 0.200 0.000 1.015 128 N CA 1.293 54.460 53.050 0.195 0.000 0.862 128 N CB -0.279 38.307 38.487 0.164 0.000 0.986 128 N HN 0.485 nan 8.380 nan 0.000 0.429 129 Q N 0.405 120.298 119.800 0.155 0.000 2.204 129 Q HA 0.158 4.497 4.340 -0.001 0.000 0.209 129 Q C -0.793 175.294 176.000 0.145 0.000 0.861 129 Q CA -0.118 55.766 55.803 0.135 0.000 0.971 129 Q CB 0.283 29.074 28.738 0.088 0.000 1.095 129 Q HN 0.270 nan 8.270 nan 0.000 0.486 130 D N -0.227 120.282 120.400 0.181 0.000 2.345 130 D HA 0.004 4.643 4.640 -0.001 0.000 0.247 130 D C 1.055 177.446 176.300 0.151 0.000 1.108 130 D CA 0.011 54.126 54.000 0.192 0.000 0.894 130 D CB 0.906 41.894 40.800 0.312 0.000 1.203 130 D HN -0.066 nan 8.370 nan 0.000 0.430 131 K N 2.101 122.580 120.400 0.133 0.000 2.160 131 K HA -0.164 4.155 4.320 -0.001 0.000 0.206 131 K C 1.491 178.142 176.600 0.086 0.000 1.047 131 K CA 1.075 57.436 56.287 0.122 0.000 0.930 131 K CB -0.006 32.563 32.500 0.116 0.000 0.720 131 K HN 0.385 nan 8.250 nan 0.000 0.450 132 V N 1.493 121.399 119.914 -0.013 0.000 2.295 132 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 132 V C 2.244 178.219 176.094 -0.198 0.000 1.049 132 V CA 1.699 63.866 62.300 -0.221 0.000 1.024 132 V CB -0.290 31.075 31.823 -0.764 0.000 0.648 132 V HN 0.350 nan 8.190 nan 0.000 0.447 133 L N -1.293 119.831 121.223 -0.165 0.000 2.179 133 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 133 L C 2.522 179.476 176.870 0.139 0.000 1.096 133 L CA 0.782 55.570 54.840 -0.086 0.000 0.779 133 L CB -0.470 41.548 42.059 -0.068 0.000 0.922 133 L HN 0.288 nan 8.230 nan 0.000 0.443 134 M N -0.311 119.397 119.600 0.180 0.000 2.279 134 M HA -0.204 4.275 4.480 -0.001 0.000 0.264 134 M C 2.068 178.405 176.300 0.062 0.000 1.062 134 M CA 1.352 56.806 55.300 0.257 0.000 1.099 134 M CB -0.917 31.813 32.600 0.217 0.000 1.394 134 M HN 0.152 nan 8.290 nan 0.000 0.426 135 E N 0.448 120.707 120.200 0.097 0.000 2.160 135 E HA -0.106 4.243 4.350 -0.001 0.000 0.195 135 E C 1.941 178.555 176.600 0.024 0.000 0.991 135 E CA 1.534 58.014 56.400 0.134 0.000 0.810 135 E CB -0.064 29.683 29.700 0.079 0.000 0.742 135 E HN 0.362 nan 8.360 nan 0.000 0.466 136 S N -0.428 115.231 115.700 -0.069 0.000 2.383 136 S HA -0.172 4.298 4.470 -0.001 0.000 0.229 136 S C 1.460 175.903 174.600 -0.263 0.000 1.030 136 S CA 1.290 59.396 58.200 -0.157 0.000 1.002 136 S CB -0.563 62.512 63.200 -0.208 0.000 0.829 136 S HN 0.485 nan 8.310 nan 0.000 0.467 137 W N 0.513 121.671 121.300 -0.236 0.000 2.364 137 W HA -0.111 4.548 4.660 -0.002 0.000 0.281 137 W C 1.396 177.724 176.519 -0.317 0.000 1.219 137 W CA 0.255 57.403 57.345 -0.329 0.000 1.220 137 W CB -0.568 28.628 29.460 -0.441 0.000 1.127 137 W HN 0.348 nan 8.180 nan 0.000 0.556 138 Y N -2.342 118.035 120.300 0.128 0.000 2.578 138 Y HA -0.052 4.498 4.550 -0.001 0.000 0.297 138 Y C 0.894 176.570 175.900 -0.373 0.000 1.176 138 Y CA 0.309 58.333 58.100 -0.127 0.000 1.315 138 Y CB -1.182 37.138 38.460 -0.233 0.000 1.031 138 Y HN 0.099 nan 8.280 nan 0.000 0.524 139 Y N -2.516 117.798 120.300 0.022 0.000 2.500 139 Y HA 0.148 4.697 4.550 -0.001 0.000 0.246 139 Y C 1.697 177.571 175.900 -0.044 0.000 1.146 139 Y CA -0.536 57.548 58.100 -0.027 0.000 1.230 139 Y CB 0.176 38.584 38.460 -0.086 0.000 1.214 139 Y HN 0.045 nan 8.280 nan 0.000 0.526 140 L N 1.834 123.101 121.223 0.073 0.000 2.046 140 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 140 L C 2.328 179.222 176.870 0.039 0.000 1.077 140 L CA 2.025 56.889 54.840 0.039 0.000 0.747 140 L CB -0.571 41.542 42.059 0.091 0.000 0.896 140 L HN 0.230 nan 8.230 nan 0.000 0.432 141 K N -1.626 118.796 120.400 0.037 0.000 2.097 141 K HA -0.184 4.135 4.320 -0.001 0.000 0.206 141 K C 1.645 178.256 176.600 0.017 0.000 1.049 141 K CA 1.736 58.035 56.287 0.020 0.000 0.933 141 K CB -0.713 31.791 32.500 0.007 0.000 0.717 141 K HN 0.217 nan 8.250 nan 0.000 0.442 142 D N 1.524 121.940 120.400 0.026 0.000 2.117 142 D HA -0.098 4.541 4.640 -0.001 0.000 0.197 142 D C 2.035 178.357 176.300 0.036 0.000 0.987 142 D CA 1.705 55.727 54.000 0.038 0.000 0.829 142 D CB -0.229 40.621 40.800 0.083 0.000 0.961 142 D HN 0.415 nan 8.370 nan 0.000 0.460 143 A N 0.166 123.008 122.820 0.037 0.000 1.930 143 A HA -0.122 4.197 4.320 -0.001 0.000 0.217 143 A C 2.420 180.007 177.584 0.006 0.000 1.175 143 A CA 1.114 53.159 52.037 0.015 0.000 0.627 143 A CB -0.669 18.329 19.000 -0.003 0.000 0.815 143 A HN 0.150 nan 8.150 nan 0.000 0.443 144 V N 0.059 119.978 119.914 0.008 0.000 2.343 144 V HA -0.231 3.888 4.120 -0.001 0.000 0.247 144 V C 2.511 178.608 176.094 0.005 0.000 1.051 144 V CA 1.932 64.235 62.300 0.005 0.000 1.036 144 V CB -0.679 31.148 31.823 0.007 0.000 0.654 144 V HN 0.558 nan 8.190 nan 0.000 0.451 145 L N -0.475 120.752 121.223 0.007 0.000 2.162 145 L HA -0.016 4.323 4.340 -0.001 0.000 0.205 145 L C 1.843 178.717 176.870 0.005 0.000 1.086 145 L CA 1.221 56.064 54.840 0.005 0.000 0.778 145 L CB -0.415 41.646 42.059 0.003 0.000 0.928 145 L HN 0.344 nan 8.230 nan 0.000 0.446 146 D N -0.604 119.801 120.400 0.008 0.000 2.417 146 D HA 0.222 4.861 4.640 -0.001 0.000 0.207 146 D C 0.964 177.268 176.300 0.006 0.000 1.075 146 D CA 0.850 54.855 54.000 0.008 0.000 0.851 146 D CB 0.937 41.744 40.800 0.011 0.000 0.976 146 D HN 0.257 nan 8.370 nan 0.000 0.505 147 G N 0.073 108.877 108.800 0.005 0.000 2.730 147 G HA2 0.351 4.310 3.960 -0.001 0.000 0.686 147 G HA3 0.351 4.310 3.960 -0.001 0.000 0.686 147 G C 0.283 175.183 174.900 -0.000 0.000 1.343 147 G CA -0.406 44.696 45.100 0.003 0.000 0.826 147 G HN 0.828 nan 8.290 nan 0.000 0.582 148 G N -1.299 107.499 108.800 -0.004 0.000 2.483 148 G HA2 0.378 4.337 3.960 -0.001 0.000 0.521 148 G HA3 0.378 4.337 3.960 -0.001 0.000 0.521 148 G C -0.553 174.332 174.900 -0.025 0.000 1.278 148 G CA -0.118 44.976 45.100 -0.011 0.000 0.965 148 G HN 1.718 nan 8.290 nan 0.000 0.504 149 I N 1.554 122.103 120.570 -0.034 0.000 2.378 149 I HA 0.332 4.501 4.170 -0.001 0.000 0.291 149 I C -1.435 174.646 176.117 -0.059 0.000 0.992 149 I CA -2.267 59.001 61.300 -0.054 0.000 1.154 149 I CB 2.489 40.459 38.000 -0.050 0.000 1.315 149 I HN 0.298 nan 8.210 nan 0.000 0.448 150 P HA -0.236 nan 4.420 nan 0.000 0.216 150 P C 1.622 178.842 177.300 -0.133 0.000 1.157 150 P CA 1.522 64.579 63.100 -0.072 0.000 0.880 150 P CB 0.121 31.740 31.700 -0.133 0.000 0.791 151 F N 0.608 120.440 119.950 -0.197 0.000 2.095 151 F HA -0.215 4.312 4.527 -0.001 0.000 0.298 151 F C 1.950 177.658 175.800 -0.154 0.000 1.104 151 F CA 1.716 59.634 58.000 -0.137 0.000 1.232 151 F CB -0.846 38.080 39.000 -0.123 0.000 0.987 151 F HN -0.116 nan 8.300 nan 0.000 0.475 152 N N 0.266 119.002 118.700 0.060 0.000 2.149 152 N HA -0.202 4.537 4.740 -0.001 0.000 0.188 152 N C 1.673 177.048 175.510 -0.225 0.000 1.019 152 N CA 1.390 54.426 53.050 -0.022 0.000 0.857 152 N CB -0.228 38.268 38.487 0.016 0.000 0.997 152 N HN 0.416 nan 8.380 nan 0.000 0.426 153 K N 0.816 121.023 120.400 -0.322 0.000 2.148 153 K HA -0.019 4.301 4.320 -0.001 0.000 0.204 153 K C 2.081 178.164 176.600 -0.863 0.000 1.050 153 K CA 1.022 57.036 56.287 -0.456 0.000 0.942 153 K CB 0.016 32.300 32.500 -0.360 0.000 0.724 153 K HN 0.135 nan 8.250 nan 0.000 0.446 154 A N 0.017 122.130 122.820 -1.179 0.000 1.935 154 A HA -0.060 4.260 4.320 -0.001 0.000 0.214 154 A C 1.337 178.250 177.584 -1.119 0.000 1.178 154 A CA 0.975 52.174 52.037 -1.396 0.000 0.640 154 A CB -0.231 17.937 19.000 -1.386 0.000 0.825 154 A HN 0.265 nan 8.150 nan 0.000 0.447 155 Y N -1.447 118.431 120.300 -0.702 0.000 2.442 155 Y HA 0.377 4.926 4.550 -0.001 0.000 0.250 155 Y C 1.799 177.548 175.900 -0.252 0.000 1.113 155 Y CA 0.032 57.822 58.100 -0.516 0.000 1.273 155 Y CB 0.330 38.295 38.460 -0.825 0.000 1.138 155 Y HN 0.410 nan 8.280 nan 0.000 0.522 156 G N 1.213 109.935 108.800 -0.129 0.000 2.148 156 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.254 156 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.254 156 G C 0.107 175.024 174.900 0.028 0.000 0.981 156 G CA 0.711 45.781 45.100 -0.049 0.000 0.670 156 G HN 0.395 nan 8.290 nan 0.000 0.528 157 M N -1.860 117.789 119.600 0.082 0.000 2.773 157 M HA 0.704 5.183 4.480 -0.001 0.000 0.270 157 M C 0.169 176.596 176.300 0.212 0.000 1.238 157 M CA -0.371 55.010 55.300 0.134 0.000 0.832 157 M CB 1.054 33.749 32.600 0.159 0.000 1.672 157 M HN 0.812 nan 8.290 nan 0.000 0.480 158 S N 0.828 116.613 115.700 0.141 0.000 2.600 158 S HA 0.607 5.076 4.470 -0.001 0.000 0.265 158 S C 1.066 175.589 174.600 -0.128 0.000 1.325 158 S CA -0.071 58.148 58.200 0.032 0.000 1.002 158 S CB 1.244 64.446 63.200 0.002 0.000 0.921 158 S HN 1.020 nan 8.310 nan 0.000 0.554 159 A N 1.191 123.550 122.820 -0.769 0.000 1.883 159 A HA 0.029 4.348 4.320 -0.001 0.000 0.217 159 A C 1.727 178.612 177.584 -1.165 0.000 1.186 159 A CA 1.452 52.598 52.037 -1.485 0.000 0.624 159 A CB -1.187 16.702 19.000 -1.852 0.000 0.822 159 A HN 0.808 nan 8.150 nan 0.000 0.444 160 F N 0.315 119.850 119.950 -0.692 0.000 2.234 160 F HA -0.051 4.475 4.527 -0.001 0.000 0.299 160 F C 2.347 178.005 175.800 -0.237 0.000 1.087 160 F CA 1.310 58.959 58.000 -0.585 0.000 1.340 160 F CB -0.583 38.281 39.000 -0.226 0.000 1.031 160 F HN 0.337 nan 8.300 nan 0.000 0.500 161 E N -1.288 118.930 120.200 0.030 0.000 2.152 161 E HA -0.234 4.115 4.350 -0.001 0.000 0.192 161 E C 1.844 178.473 176.600 0.048 0.000 0.983 161 E CA 1.004 57.447 56.400 0.071 0.000 0.818 161 E CB -0.398 29.359 29.700 0.096 0.000 0.758 161 E HN 0.480 nan 8.360 nan 0.000 0.467 162 Y N 1.257 121.523 120.300 -0.057 0.000 2.200 162 Y HA -0.209 4.340 4.550 -0.002 0.000 0.290 162 Y C 1.912 177.868 175.900 0.095 0.000 1.137 162 Y CA 1.801 59.905 58.100 0.007 0.000 1.163 162 Y CB -0.209 38.285 38.460 0.057 0.000 0.988 162 Y HN 0.141 nan 8.280 nan 0.000 0.518 163 H N -1.754 117.327 119.070 0.017 0.000 2.390 163 H HA -0.178 4.377 4.556 -0.002 0.000 0.298 163 H C 2.217 177.481 175.328 -0.107 0.000 1.106 163 H CA 0.510 56.574 56.048 0.027 0.000 1.297 163 H CB -0.394 29.421 29.762 0.088 0.000 1.375 163 H HN 0.497 nan 8.280 nan 0.000 0.509 164 G N -0.110 108.622 108.800 -0.112 0.000 2.598 164 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.215 164 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.215 164 G C 1.672 176.401 174.900 -0.285 0.000 1.131 164 G CA 1.145 45.988 45.100 -0.429 0.000 0.785 164 G HN 0.504 nan 8.290 nan 0.000 0.539 165 T N -3.996 110.383 114.554 -0.292 0.000 3.023 165 T HA 0.167 4.517 4.350 -0.001 0.000 0.253 165 T C 0.239 174.750 174.700 -0.316 0.000 1.038 165 T CA 0.175 62.102 62.100 -0.288 0.000 0.962 165 T CB 0.607 69.291 68.868 -0.306 0.000 1.018 165 T HN 0.001 nan 8.240 nan 0.000 0.521 166 D N 1.574 121.766 120.400 -0.347 0.000 2.378 166 D HA 0.377 5.017 4.640 -0.001 0.000 0.265 166 D C -2.200 174.080 176.300 -0.033 0.000 1.229 166 D CA -2.279 51.603 54.000 -0.198 0.000 0.914 166 D CB 1.960 42.591 40.800 -0.281 0.000 1.140 166 D HN -0.064 nan 8.370 nan 0.000 0.516 167 P HA -0.162 nan 4.420 nan 0.000 0.216 167 P C 1.455 178.774 177.300 0.032 0.000 1.153 167 P CA 0.985 64.090 63.100 0.009 0.000 0.858 167 P CB 0.325 32.027 31.700 0.003 0.000 0.789 168 R N -1.194 119.340 120.500 0.058 0.000 2.080 168 R HA -0.175 4.164 4.340 -0.001 0.000 0.236 168 R C 2.166 178.523 176.300 0.095 0.000 1.137 168 R CA 1.625 57.771 56.100 0.076 0.000 0.943 168 R CB -1.025 29.336 30.300 0.102 0.000 0.846 168 R HN 0.111 nan 8.270 nan 0.000 0.431 169 F N 1.914 121.885 119.950 0.035 0.000 2.325 169 F HA -0.097 4.429 4.527 -0.001 0.000 0.299 169 F C 1.912 177.709 175.800 -0.005 0.000 1.090 169 F CA 1.618 59.646 58.000 0.046 0.000 1.392 169 F CB -0.466 38.606 39.000 0.119 0.000 1.053 169 F HN 0.137 nan 8.300 nan 0.000 0.521 170 N N 0.543 119.174 118.700 -0.116 0.000 2.104 170 N HA -0.240 4.499 4.740 -0.001 0.000 0.190 170 N C 2.146 177.560 175.510 -0.161 0.000 1.024 170 N CA 1.640 54.590 53.050 -0.167 0.000 0.853 170 N CB -0.288 38.211 38.487 0.021 0.000 1.008 170 N HN 0.353 nan 8.380 nan 0.000 0.424 171 R N -0.285 120.150 120.500 -0.107 0.000 2.062 171 R HA -0.006 4.333 4.340 -0.001 0.000 0.229 171 R C 1.856 178.075 176.300 -0.135 0.000 1.128 171 R CA 1.069 57.123 56.100 -0.077 0.000 0.960 171 R CB -0.368 29.912 30.300 -0.033 0.000 0.855 171 R HN 0.073 nan 8.270 nan 0.000 0.432 172 V N 1.104 120.898 119.914 -0.200 0.000 2.282 172 V HA -0.285 3.834 4.120 -0.001 0.000 0.249 172 V C 2.047 177.955 176.094 -0.310 0.000 1.057 172 V CA 2.195 64.362 62.300 -0.220 0.000 1.032 172 V CB -0.647 31.056 31.823 -0.199 0.000 0.645 172 V HN 0.352 nan 8.190 nan 0.000 0.447 173 F N 1.505 121.017 119.950 -0.730 0.000 2.084 173 F HA -0.165 4.361 4.527 -0.001 0.000 0.296 173 F C 2.382 178.026 175.800 -0.260 0.000 1.111 173 F CA 2.046 59.686 58.000 -0.599 0.000 1.224 173 F CB -0.426 38.014 39.000 -0.933 0.000 0.991 173 F HN 0.173 nan 8.300 nan 0.000 0.471 174 N N 0.645 119.286 118.700 -0.098 0.000 2.149 174 N HA -0.175 4.564 4.740 -0.001 0.000 0.188 174 N C 1.759 177.203 175.510 -0.110 0.000 1.019 174 N CA 1.487 54.497 53.050 -0.066 0.000 0.857 174 N CB -0.498 38.005 38.487 0.027 0.000 0.997 174 N HN 0.404 nan 8.380 nan 0.000 0.426 175 E N 0.180 120.319 120.200 -0.102 0.000 2.106 175 E HA -0.038 4.311 4.350 -0.001 0.000 0.192 175 E C 2.024 178.582 176.600 -0.069 0.000 0.984 175 E CA 0.789 57.153 56.400 -0.061 0.000 0.806 175 E CB -0.524 29.150 29.700 -0.043 0.000 0.750 175 E HN 0.409 nan 8.360 nan 0.000 0.458 176 G N 1.283 110.003 108.800 -0.134 0.000 2.446 176 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.217 176 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.217 176 G C 1.559 176.427 174.900 -0.054 0.000 1.168 176 G CA 0.993 46.033 45.100 -0.100 0.000 0.771 176 G HN 0.114 nan 8.290 nan 0.000 0.551 177 M N 0.497 119.997 119.600 -0.167 0.000 2.099 177 M HA 0.044 4.523 4.480 -0.001 0.000 0.262 177 M C 2.326 178.654 176.300 0.046 0.000 1.067 177 M CA 1.303 56.587 55.300 -0.027 0.000 1.124 177 M CB -1.134 31.388 32.600 -0.131 0.000 1.353 177 M HN 0.284 nan 8.290 nan 0.000 0.410 178 K N 0.444 120.844 120.400 -0.000 0.000 2.032 178 K HA -0.169 4.150 4.320 -0.001 0.000 0.209 178 K C 1.798 178.405 176.600 0.012 0.000 1.048 178 K CA 1.442 57.734 56.287 0.010 0.000 0.927 178 K CB -0.075 32.434 32.500 0.015 0.000 0.712 178 K HN 0.375 nan 8.250 nan 0.000 0.441 179 N N -0.069 118.648 118.700 0.029 0.000 2.120 179 N HA -0.219 4.521 4.740 -0.001 0.000 0.188 179 N C 1.919 177.453 175.510 0.040 0.000 1.024 179 N CA 1.115 54.186 53.050 0.035 0.000 0.852 179 N CB -0.331 38.188 38.487 0.052 0.000 1.003 179 N HN 0.409 nan 8.380 nan 0.000 0.424 180 H N 0.974 120.034 119.070 -0.017 0.000 2.389 180 H HA 0.041 4.596 4.556 -0.001 0.000 0.299 180 H C 1.706 176.950 175.328 -0.140 0.000 1.081 180 H CA 1.145 57.159 56.048 -0.057 0.000 1.345 180 H CB 0.343 30.101 29.762 -0.007 0.000 1.393 180 H HN 0.077 nan 8.280 nan 0.000 0.520 181 S N 0.503 116.152 115.700 -0.084 0.000 2.368 181 S HA -0.064 4.405 4.470 -0.001 0.000 0.224 181 S C 2.374 176.860 174.600 -0.191 0.000 1.029 181 S CA 0.948 59.050 58.200 -0.163 0.000 0.988 181 S CB -0.101 63.054 63.200 -0.074 0.000 0.838 181 S HN 0.362 nan 8.310 nan 0.000 0.462 182 I N 1.284 121.772 120.570 -0.136 0.000 2.361 182 I HA -0.162 4.007 4.170 -0.001 0.000 0.251 182 I C 1.805 177.827 176.117 -0.158 0.000 1.133 182 I CA 0.810 62.033 61.300 -0.128 0.000 1.413 182 I CB -0.277 37.677 38.000 -0.077 0.000 1.073 182 I HN 0.270 nan 8.210 nan 0.000 0.424 183 I N 0.380 120.840 120.570 -0.183 0.000 2.193 183 I HA -0.208 3.961 4.170 -0.001 0.000 0.240 183 I C 2.542 178.487 176.117 -0.286 0.000 1.084 183 I CA 1.433 62.613 61.300 -0.200 0.000 1.365 183 I CB -0.880 37.020 38.000 -0.167 0.000 1.064 183 I HN 0.120 nan 8.210 nan 0.000 0.410 184 I N 0.927 121.260 120.570 -0.394 0.000 2.286 184 I HA -0.224 3.945 4.170 -0.001 0.000 0.248 184 I C 2.526 178.456 176.117 -0.312 0.000 1.115 184 I CA 1.401 62.454 61.300 -0.411 0.000 1.392 184 I CB -1.753 35.902 38.000 -0.574 0.000 1.065 184 I HN 0.213 nan 8.210 nan 0.000 0.418 185 T N 0.742 115.139 114.554 -0.262 0.000 2.746 185 T HA -0.217 4.133 4.350 -0.001 0.000 0.267 185 T C 1.968 176.549 174.700 -0.198 0.000 1.039 185 T CA 1.472 63.456 62.100 -0.194 0.000 1.142 185 T CB -0.150 68.618 68.868 -0.166 0.000 0.866 185 T HN 0.313 nan 8.240 nan 0.000 0.444 186 K N 0.880 121.150 120.400 -0.218 0.000 2.063 186 K HA -0.156 4.163 4.320 -0.001 0.000 0.208 186 K C 2.149 178.597 176.600 -0.253 0.000 1.048 186 K CA 1.153 57.305 56.287 -0.225 0.000 0.928 186 K CB 0.057 32.435 32.500 -0.203 0.000 0.713 186 K HN 0.046 nan 8.250 nan 0.000 0.442 187 K N 0.717 120.939 120.400 -0.296 0.000 2.155 187 K HA -0.108 4.211 4.320 -0.001 0.000 0.203 187 K C 2.085 178.536 176.600 -0.249 0.000 1.052 187 K CA 0.582 56.671 56.287 -0.329 0.000 0.948 187 K CB -0.355 31.873 32.500 -0.453 0.000 0.728 187 K HN 0.172 nan 8.250 nan 0.000 0.448 188 L N 1.341 122.433 121.223 -0.218 0.000 2.017 188 L HA -0.105 4.234 4.340 -0.001 0.000 0.208 188 L C 1.904 178.729 176.870 -0.075 0.000 1.073 188 L CA 1.554 56.307 54.840 -0.144 0.000 0.745 188 L CB -0.522 41.478 42.059 -0.098 0.000 0.894 188 L HN 0.054 nan 8.230 nan 0.000 0.432 189 L N -0.751 120.404 121.223 -0.113 0.000 2.549 189 L HA -0.103 4.236 4.340 -0.001 0.000 0.229 189 L C 1.882 178.623 176.870 -0.215 0.000 1.158 189 L CA 0.664 55.403 54.840 -0.169 0.000 0.842 189 L CB -0.448 41.344 42.059 -0.444 0.000 0.952 189 L HN 0.432 nan 8.230 nan 0.000 0.452 190 E N -0.572 119.512 120.200 -0.194 0.000 2.413 190 E HA 0.089 4.438 4.350 -0.001 0.000 0.203 190 E C 1.539 178.036 176.600 -0.171 0.000 0.957 190 E CA 0.250 56.555 56.400 -0.159 0.000 0.950 190 E CB 0.475 30.082 29.700 -0.155 0.000 0.957 190 E HN 0.447 nan 8.360 nan 0.000 0.497 191 L N -0.544 120.559 121.223 -0.200 0.000 2.920 191 L HA 0.279 4.618 4.340 -0.001 0.000 0.257 191 L C -0.302 176.415 176.870 -0.256 0.000 1.150 191 L CA -0.279 54.440 54.840 -0.203 0.000 0.959 191 L CB 0.626 42.602 42.059 -0.138 0.000 1.321 191 L HN 0.047 nan 8.230 nan 0.000 0.555 192 Y N 0.256 120.290 120.300 -0.442 0.000 2.331 192 Y HA 0.396 4.945 4.550 -0.001 0.000 0.334 192 Y C 0.761 176.373 175.900 -0.481 0.000 0.960 192 Y CA -0.870 56.968 58.100 -0.436 0.000 1.130 192 Y CB 0.767 39.009 38.460 -0.365 0.000 1.164 192 Y HN 0.038 nan 8.280 nan 0.000 0.458 193 H N 3.317 121.954 119.070 -0.722 0.000 2.586 193 H HA 0.186 4.741 4.556 -0.001 0.000 0.273 193 H C 1.680 176.538 175.328 -0.783 0.000 0.997 193 H CA 0.641 56.370 56.048 -0.532 0.000 1.177 193 H CB 0.442 30.037 29.762 -0.278 0.000 1.471 193 H HN 0.971 nan 8.280 nan 0.000 0.538 194 G N -0.130 107.717 108.800 -1.589 0.000 2.653 194 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.212 194 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.212 194 G C 0.922 175.503 174.900 -0.532 0.000 1.138 194 G CA 0.125 44.602 45.100 -1.038 0.000 0.782 194 G HN 0.322 nan 8.290 nan 0.000 0.535 195 F N 0.145 119.912 119.950 -0.305 0.000 2.695 195 F HA 0.259 4.785 4.527 -0.002 0.000 0.303 195 F C 1.138 176.574 175.800 -0.608 0.000 1.091 195 F CA -0.643 57.156 58.000 -0.335 0.000 1.300 195 F CB 0.492 39.338 39.000 -0.257 0.000 1.071 195 F HN 0.086 nan 8.300 nan 0.000 0.578 196 E N 0.330 120.334 120.200 -0.326 0.000 2.398 196 E HA 0.233 4.582 4.350 -0.001 0.000 0.263 196 E C 1.134 177.627 176.600 -0.177 0.000 1.046 196 E CA 0.546 56.773 56.400 -0.288 0.000 0.908 196 E CB 0.534 30.180 29.700 -0.089 0.000 0.963 196 E HN 0.329 nan 8.360 nan 0.000 0.431 197 G N 2.182 110.903 108.800 -0.132 0.000 2.203 197 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.263 197 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.263 197 G C 0.019 174.877 174.900 -0.070 0.000 1.012 197 G CA 0.052 45.108 45.100 -0.074 0.000 0.749 197 G HN 0.362 nan 8.290 nan 0.000 0.512 198 L N -0.529 120.630 121.223 -0.105 0.000 2.357 198 L HA 0.621 4.960 4.340 -0.001 0.000 0.273 198 L C 1.655 178.497 176.870 -0.047 0.000 1.080 198 L CA 0.309 55.109 54.840 -0.066 0.000 0.803 198 L CB 1.378 43.396 42.059 -0.068 0.000 1.174 198 L HN 0.160 nan 8.230 nan 0.000 0.443 199 G N 0.877 109.660 108.800 -0.028 0.000 2.765 199 G HA2 0.050 4.009 3.960 -0.001 0.000 0.218 199 G HA3 0.050 4.009 3.960 -0.001 0.000 0.218 199 G C 0.052 174.936 174.900 -0.025 0.000 1.271 199 G CA 0.146 45.234 45.100 -0.021 0.000 0.865 199 G HN 0.484 nan 8.290 nan 0.000 0.604 200 T N 1.264 115.804 114.554 -0.023 0.000 2.772 200 T HA 0.525 4.874 4.350 -0.001 0.000 0.288 200 T C -1.335 173.345 174.700 -0.034 0.000 0.994 200 T CA -0.216 61.866 62.100 -0.030 0.000 0.951 200 T CB 1.858 70.711 68.868 -0.026 0.000 0.933 200 T HN 0.171 nan 8.240 nan 0.000 0.447 201 L N 5.829 127.017 121.223 -0.058 0.000 2.305 201 L HA 0.669 5.008 4.340 -0.001 0.000 0.284 201 L C -0.973 175.855 176.870 -0.070 0.000 1.013 201 L CA -0.531 54.263 54.840 -0.077 0.000 0.819 201 L CB 1.168 43.123 42.059 -0.173 0.000 1.227 201 L HN 0.396 nan 8.230 nan 0.000 0.417 202 V N 4.365 124.252 119.914 -0.044 0.000 2.370 202 V HA 0.365 4.484 4.120 -0.001 0.000 0.283 202 V C -0.485 175.604 176.094 -0.008 0.000 1.023 202 V CA -0.655 61.627 62.300 -0.029 0.000 0.857 202 V CB 1.362 33.158 31.823 -0.045 0.000 0.985 202 V HN 0.670 nan 8.190 nan 0.000 0.443 203 D N 4.206 124.611 120.400 0.008 0.000 2.428 203 D HA 0.260 4.899 4.640 -0.001 0.000 0.221 203 D C -0.332 176.033 176.300 0.109 0.000 1.123 203 D CA -0.075 53.940 54.000 0.025 0.000 0.869 203 D CB 1.635 42.427 40.800 -0.013 0.000 1.032 203 D HN 0.276 nan 8.370 nan 0.000 0.506 204 V N 3.361 123.346 119.914 0.118 0.000 2.455 204 V HA 0.413 4.532 4.120 -0.001 0.000 0.273 204 V C 1.413 177.592 176.094 0.142 0.000 1.045 204 V CA 0.239 62.664 62.300 0.208 0.000 0.976 204 V CB 0.859 32.770 31.823 0.146 0.000 0.993 204 V HN 0.854 nan 8.190 nan 0.000 0.475 205 G N 4.300 113.164 108.800 0.108 0.000 2.256 205 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.272 205 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.272 205 G C 0.839 175.777 174.900 0.063 0.000 1.076 205 G CA 0.130 45.247 45.100 0.028 0.000 0.882 205 G HN 1.292 nan 8.290 nan 0.000 0.497 206 G N -0.504 108.331 108.800 0.059 0.000 2.776 206 G HA2 0.471 4.431 3.960 -0.001 0.000 0.209 206 G HA3 0.471 4.431 3.960 -0.001 0.000 0.209 206 G C 1.797 176.735 174.900 0.064 0.000 1.145 206 G CA 1.506 46.642 45.100 0.059 0.000 0.791 206 G HN 2.127 nan 8.290 nan 0.000 0.530 207 G N -0.208 108.629 108.800 0.062 0.000 2.574 207 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.286 207 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.286 207 G C 1.428 176.377 174.900 0.082 0.000 1.212 207 G CA 1.838 46.984 45.100 0.077 0.000 0.979 207 G HN 1.264 nan 8.290 nan 0.000 0.557 208 V N -0.949 119.025 119.914 0.099 0.000 3.078 208 V HA 0.375 4.494 4.120 -0.001 0.000 0.265 208 V C 2.453 178.736 176.094 0.316 0.000 1.122 208 V CA 2.214 64.610 62.300 0.160 0.000 1.141 208 V CB -0.624 31.291 31.823 0.153 0.000 0.735 208 V HN 2.970 nan 8.190 nan 0.000 0.498 209 G N -0.825 108.076 108.800 0.168 0.000 2.176 209 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.232 209 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.232 209 G C 1.089 175.748 174.900 -0.401 0.000 0.986 209 G CA 0.611 45.738 45.100 0.045 0.000 0.643 209 G HN 1.426 nan 8.290 nan 0.000 0.522 210 A N -0.067 122.557 122.820 -0.327 0.000 1.948 210 A HA 0.056 4.375 4.320 -0.001 0.000 0.220 210 A C 2.455 179.822 177.584 -0.362 0.000 1.177 210 A CA 2.991 54.760 52.037 -0.447 0.000 0.636 210 A CB -0.920 17.988 19.000 -0.154 0.000 0.815 210 A HN 0.846 nan 8.150 nan 0.000 0.449 211 T N -0.923 113.490 114.554 -0.235 0.000 2.643 211 T HA -0.145 4.205 4.350 -0.001 0.000 0.264 211 T C 1.862 176.424 174.700 -0.230 0.000 1.045 211 T CA 1.605 63.588 62.100 -0.195 0.000 1.155 211 T CB -0.678 68.111 68.868 -0.131 0.000 0.863 211 T HN 0.205 nan 8.240 nan 0.000 0.420 212 V N 1.374 121.148 119.914 -0.234 0.000 2.490 212 V HA -0.080 4.039 4.120 -0.001 0.000 0.250 212 V C 2.613 178.553 176.094 -0.257 0.000 1.061 212 V CA 1.787 63.946 62.300 -0.235 0.000 1.064 212 V CB -0.977 30.736 31.823 -0.183 0.000 0.670 212 V HN 0.533 nan 8.190 nan 0.000 0.461 213 A N -0.271 122.318 122.820 -0.385 0.000 1.933 213 A HA -0.043 4.277 4.320 -0.001 0.000 0.218 213 A C 2.392 179.828 177.584 -0.247 0.000 1.175 213 A CA 2.027 53.818 52.037 -0.411 0.000 0.628 213 A CB -0.825 17.564 19.000 -1.019 0.000 0.814 213 A HN 0.766 nan 8.150 nan 0.000 0.444 214 A N -0.174 122.498 122.820 -0.246 0.000 1.929 214 A HA 0.010 4.329 4.320 -0.001 0.000 0.216 214 A C 2.078 179.601 177.584 -0.102 0.000 1.176 214 A CA 1.387 53.330 52.037 -0.156 0.000 0.628 214 A CB -0.519 18.383 19.000 -0.164 0.000 0.816 214 A HN 0.484 nan 8.150 nan 0.000 0.444 215 I N -0.292 120.206 120.570 -0.120 0.000 2.353 215 I HA -0.202 3.968 4.170 -0.001 0.000 0.248 215 I C 2.903 179.050 176.117 0.051 0.000 1.119 215 I CA 0.895 62.168 61.300 -0.045 0.000 1.417 215 I CB -0.281 37.573 38.000 -0.244 0.000 1.078 215 I HN 0.329 nan 8.210 nan 0.000 0.421 216 A N 0.883 123.683 122.820 -0.032 0.000 1.933 216 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 216 A C 2.545 180.143 177.584 0.024 0.000 1.175 216 A CA 1.753 53.793 52.037 0.005 0.000 0.628 216 A CB -0.768 18.208 19.000 -0.040 0.000 0.814 216 A HN 0.413 nan 8.150 nan 0.000 0.444 217 A N -1.294 121.524 122.820 -0.003 0.000 1.972 217 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 217 A C 2.014 179.590 177.584 -0.013 0.000 1.169 217 A CA 2.064 54.098 52.037 -0.004 0.000 0.635 217 A CB -0.748 18.246 19.000 -0.010 0.000 0.810 217 A HN 0.716 nan 8.150 nan 0.000 0.446 218 H N -2.328 116.651 119.070 -0.152 0.000 2.436 218 H HA 0.053 4.608 4.556 -0.001 0.000 0.294 218 H C -0.587 174.474 175.328 -0.446 0.000 1.048 218 H CA 1.097 56.946 56.048 -0.332 0.000 1.353 218 H CB -0.029 29.457 29.762 -0.459 0.000 1.414 218 H HN 0.473 nan 8.280 nan 0.000 0.536 219 Y N 0.699 121.004 120.300 0.008 0.000 2.686 219 Y HA 0.258 4.807 4.550 -0.002 0.000 0.331 219 Y C -1.688 174.192 175.900 -0.034 0.000 0.996 219 Y CA -2.890 55.189 58.100 -0.034 0.000 1.293 219 Y CB 1.456 39.927 38.460 0.018 0.000 1.092 219 Y HN 0.158 nan 8.280 nan 0.000 0.524 220 P HA -0.164 nan 4.420 nan 0.000 0.223 220 P C 1.217 178.543 177.300 0.043 0.000 1.144 220 P CA 1.528 64.650 63.100 0.037 0.000 0.783 220 P CB 0.078 31.781 31.700 0.004 0.000 0.771 221 T N -3.733 110.859 114.554 0.063 0.000 3.148 221 T HA 0.130 4.479 4.350 -0.001 0.000 0.253 221 T C 0.948 175.662 174.700 0.024 0.000 1.134 221 T CA -0.085 62.036 62.100 0.036 0.000 1.051 221 T CB -0.558 68.329 68.868 0.031 0.000 0.959 221 T HN -0.003 nan 8.240 nan 0.000 0.525 222 I N 1.415 122.008 120.570 0.039 0.000 2.472 222 I HA 0.322 4.491 4.170 -0.001 0.000 0.290 222 I C 0.113 176.226 176.117 -0.006 0.000 1.016 222 I CA -0.854 60.450 61.300 0.006 0.000 1.348 222 I CB 1.316 39.321 38.000 0.009 0.000 1.417 222 I HN -0.029 nan 8.210 nan 0.000 0.521 223 K N 4.444 124.831 120.400 -0.022 0.000 2.367 223 K HA 0.421 4.741 4.320 -0.001 0.000 0.263 223 K C -0.082 176.492 176.600 -0.043 0.000 1.000 223 K CA -0.377 55.895 56.287 -0.025 0.000 0.891 223 K CB 1.690 34.178 32.500 -0.020 0.000 1.117 223 K HN 0.792 nan 8.250 nan 0.000 0.443 224 G N 1.406 110.175 108.800 -0.052 0.000 2.377 224 G HA2 0.471 4.430 3.960 -0.001 0.000 0.299 224 G HA3 0.471 4.430 3.960 -0.001 0.000 0.299 224 G C -0.770 174.090 174.900 -0.067 0.000 1.150 224 G CA -0.410 44.644 45.100 -0.076 0.000 0.847 224 G HN 0.330 nan 8.290 nan 0.000 0.501 225 V N 2.057 121.936 119.914 -0.058 0.000 2.483 225 V HA 0.270 4.389 4.120 -0.001 0.000 0.297 225 V C -0.491 175.605 176.094 0.003 0.000 1.027 225 V CA -1.113 61.172 62.300 -0.026 0.000 0.855 225 V CB 1.694 33.513 31.823 -0.007 0.000 0.995 225 V HN 0.773 nan 8.190 nan 0.000 0.424 226 N N 3.734 122.440 118.700 0.010 0.000 2.457 226 N HA 0.449 5.188 4.740 -0.001 0.000 0.250 226 N C -1.335 174.305 175.510 0.217 0.000 0.982 226 N CA -0.245 52.855 53.050 0.082 0.000 0.941 226 N CB 0.748 39.273 38.487 0.064 0.000 1.120 226 N HN 0.522 nan 8.380 nan 0.000 0.505 227 F N 3.441 123.408 119.950 0.029 0.000 2.444 227 F HA 0.552 5.079 4.527 -0.001 0.000 0.342 227 F C -0.288 175.519 175.800 0.011 0.000 1.121 227 F CA -0.425 57.588 58.000 0.022 0.000 0.997 227 F CB 0.970 39.966 39.000 -0.006 0.000 1.130 227 F HN 0.445 nan 8.300 nan 0.000 0.454 228 D N 3.634 123.658 120.400 -0.627 0.000 2.970 228 D HA 0.306 4.945 4.640 -0.001 0.000 0.344 228 D C -1.181 174.779 176.300 -0.567 0.000 1.365 228 D CA -0.414 53.273 54.000 -0.522 0.000 0.910 228 D CB 1.556 42.227 40.800 -0.215 0.000 1.445 228 D HN 0.468 nan 8.370 nan 0.000 0.532 229 L N 1.643 122.652 121.223 -0.357 0.000 2.461 229 L HA 0.163 4.502 4.340 -0.001 0.000 0.272 229 L C -1.335 175.420 176.870 -0.192 0.000 1.197 229 L CA -1.178 53.518 54.840 -0.240 0.000 0.836 229 L CB 0.382 42.371 42.059 -0.117 0.000 1.105 229 L HN 0.324 nan 8.230 nan 0.000 0.477 230 P HA -0.252 nan 4.420 nan 0.000 0.217 230 P C 1.371 178.662 177.300 -0.015 0.000 1.162 230 P CA 1.902 64.983 63.100 -0.031 0.000 0.901 230 P CB -0.029 31.686 31.700 0.025 0.000 0.793 231 H N -1.745 117.308 119.070 -0.029 0.000 2.387 231 H HA -0.057 4.498 4.556 -0.001 0.000 0.299 231 H C 1.503 176.815 175.328 -0.025 0.000 1.090 231 H CA 1.256 57.292 56.048 -0.020 0.000 1.332 231 H CB -1.265 28.495 29.762 -0.003 0.000 1.386 231 H HN -0.101 nan 8.280 nan 0.000 0.516 232 V N 1.558 121.050 119.914 -0.704 0.000 2.295 232 V HA -0.242 3.877 4.120 -0.001 0.000 0.246 232 V C 2.647 178.597 176.094 -0.241 0.000 1.049 232 V CA 1.951 63.953 62.300 -0.498 0.000 1.024 232 V CB -0.711 30.860 31.823 -0.419 0.000 0.648 232 V HN 0.709 nan 8.190 nan 0.000 0.447 233 I N -1.306 119.138 120.570 -0.210 0.000 2.546 233 I HA -0.094 4.075 4.170 -0.001 0.000 0.255 233 I C 2.420 178.379 176.117 -0.263 0.000 1.163 233 I CA 1.919 63.086 61.300 -0.222 0.000 1.457 233 I CB -0.688 37.248 38.000 -0.106 0.000 1.092 233 I HN 0.170 nan 8.210 nan 0.000 0.434 234 S N 0.848 116.458 115.700 -0.150 0.000 2.423 234 S HA -0.134 4.335 4.470 -0.001 0.000 0.231 234 S C 1.851 176.389 174.600 -0.102 0.000 1.014 234 S CA 1.488 59.628 58.200 -0.101 0.000 0.965 234 S CB -0.399 62.783 63.200 -0.030 0.000 0.785 234 S HN 0.675 nan 8.310 nan 0.000 0.495 235 E N 0.714 120.855 120.200 -0.099 0.000 2.385 235 E HA 0.294 4.643 4.350 -0.001 0.000 0.194 235 E C 0.718 177.261 176.600 -0.096 0.000 1.013 235 E CA 0.287 56.648 56.400 -0.066 0.000 0.866 235 E CB 0.154 29.843 29.700 -0.018 0.000 0.832 235 E HN 0.561 nan 8.360 nan 0.000 0.500 236 A N 2.702 125.422 122.820 -0.168 0.000 2.351 236 A HA 0.288 4.607 4.320 -0.001 0.000 0.257 236 A C -2.019 175.448 177.584 -0.195 0.000 1.087 236 A CA -1.166 50.778 52.037 -0.156 0.000 0.798 236 A CB -0.061 18.828 19.000 -0.185 0.000 1.033 236 A HN -0.051 nan 8.150 nan 0.000 0.488 237 P HA 0.259 nan 4.420 nan 0.000 0.277 237 P C -0.978 176.064 177.300 -0.429 0.000 1.271 237 P CA -0.390 62.515 63.100 -0.325 0.000 0.795 237 P CB 0.556 32.014 31.700 -0.402 0.000 1.101 238 Q N -0.191 119.377 119.800 -0.388 0.000 2.227 238 Q HA 0.515 4.855 4.340 -0.001 0.000 0.245 238 Q C -0.691 174.998 176.000 -0.517 0.000 0.926 238 Q CA -0.052 55.608 55.803 -0.239 0.000 0.895 238 Q CB 0.639 29.331 28.738 -0.077 0.000 1.230 238 Q HN 0.384 nan 8.270 nan 0.000 0.450 239 F N 0.419 120.390 119.950 0.034 0.000 2.576 239 F HA 0.419 4.945 4.527 -0.002 0.000 0.313 239 F C -1.973 173.811 175.800 -0.027 0.000 1.078 239 F CA -2.351 55.646 58.000 -0.005 0.000 0.921 239 F CB 1.403 40.387 39.000 -0.028 0.000 1.232 239 F HN 0.274 nan 8.300 nan 0.000 0.459 240 P HA 0.247 nan 4.420 nan 0.000 0.267 240 P C 0.503 177.842 177.300 0.064 0.000 1.205 240 P CA 0.550 63.701 63.100 0.085 0.000 0.765 240 P CB 0.633 32.373 31.700 0.066 0.000 0.828 241 G N 1.355 110.175 108.800 0.033 0.000 2.153 241 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.252 241 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.252 241 G C -0.064 174.832 174.900 -0.008 0.000 0.994 241 G CA -0.050 45.057 45.100 0.011 0.000 0.698 241 G HN 0.521 nan 8.290 nan 0.000 0.521 242 V N 0.322 120.235 119.914 -0.002 0.000 2.588 242 V HA 0.726 4.845 4.120 -0.001 0.000 0.304 242 V C 0.122 176.157 176.094 -0.098 0.000 1.042 242 V CA -0.321 61.944 62.300 -0.060 0.000 0.877 242 V CB 2.152 33.943 31.823 -0.053 0.000 0.996 242 V HN 0.266 nan 8.190 nan 0.000 0.425 243 T N 3.903 118.390 114.554 -0.112 0.000 2.786 243 T HA 0.464 4.813 4.350 -0.001 0.000 0.283 243 T C -0.498 174.153 174.700 -0.081 0.000 0.992 243 T CA -0.427 61.633 62.100 -0.067 0.000 0.954 243 T CB 0.398 69.261 68.868 -0.008 0.000 0.934 243 T HN 0.586 nan 8.240 nan 0.000 0.440 244 H N 1.738 120.855 119.070 0.079 0.000 2.548 244 H HA 0.533 5.088 4.556 -0.001 0.000 0.331 244 H C -0.415 174.965 175.328 0.087 0.000 1.093 244 H CA -0.232 55.866 56.048 0.082 0.000 1.367 244 H CB 1.282 31.082 29.762 0.064 0.000 1.455 244 H HN 0.268 nan 8.280 nan 0.000 0.519 245 V N 2.167 122.234 119.914 0.255 0.000 2.668 245 V HA 0.402 4.521 4.120 -0.001 0.000 0.304 245 V C 0.472 176.689 176.094 0.204 0.000 1.071 245 V CA -0.990 61.460 62.300 0.250 0.000 0.894 245 V CB 2.144 34.158 31.823 0.317 0.000 1.008 245 V HN 0.934 nan 8.190 nan 0.000 0.425 246 G N 1.544 110.411 108.800 0.111 0.000 2.389 246 G HA2 0.847 4.806 3.960 -0.001 0.000 0.328 246 G HA3 0.847 4.806 3.960 -0.001 0.000 0.328 246 G C -0.033 174.881 174.900 0.023 0.000 1.133 246 G CA 0.080 45.150 45.100 -0.051 0.000 0.891 246 G HN 1.299 nan 8.290 nan 0.000 0.485 247 G N -0.150 108.543 108.800 -0.178 0.000 2.393 247 G HA2 0.416 4.375 3.960 -0.001 0.000 0.264 247 G HA3 0.416 4.375 3.960 -0.001 0.000 0.264 247 G C -2.063 172.803 174.900 -0.057 0.000 1.221 247 G CA -0.356 44.774 45.100 0.051 0.000 0.912 247 G HN 0.693 nan 8.290 nan 0.000 0.483 248 D N 0.607 121.096 120.400 0.148 0.000 2.421 248 D HA 0.307 4.946 4.640 -0.001 0.000 0.254 248 D C 1.762 178.150 176.300 0.147 0.000 1.238 248 D CA -0.520 53.528 54.000 0.081 0.000 0.919 248 D CB 1.082 41.947 40.800 0.108 0.000 1.152 248 D HN 0.567 nan 8.370 nan 0.000 0.552 249 M N 1.038 120.665 119.600 0.046 0.000 2.426 249 M HA -0.078 4.401 4.480 -0.001 0.000 0.261 249 M C 0.235 176.383 176.300 -0.253 0.000 1.068 249 M CA 1.354 56.645 55.300 -0.015 0.000 1.066 249 M CB -0.418 32.073 32.600 -0.180 0.000 1.399 249 M HN 0.104 nan 8.290 nan 0.000 0.449 250 F N 1.297 121.249 119.950 0.003 0.000 2.710 250 F HA 0.168 4.694 4.527 -0.001 0.000 0.298 250 F C 2.107 177.905 175.800 -0.003 0.000 1.137 250 F CA 0.741 58.718 58.000 -0.039 0.000 1.444 250 F CB -0.254 38.686 39.000 -0.100 0.000 1.111 250 F HN 0.162 nan 8.300 nan 0.000 0.580 251 K N 0.025 120.514 120.400 0.149 0.000 2.214 251 K HA 0.116 4.435 4.320 -0.001 0.000 0.201 251 K C 0.288 176.928 176.600 0.067 0.000 1.049 251 K CA 0.711 57.062 56.287 0.105 0.000 0.978 251 K CB 0.533 33.093 32.500 0.101 0.000 0.842 251 K HN 0.292 nan 8.250 nan 0.000 0.474 252 E N -0.099 120.133 120.200 0.053 0.000 2.393 252 E HA 0.228 4.577 4.350 -0.001 0.000 0.282 252 E C -1.291 175.244 176.600 -0.108 0.000 1.096 252 E CA -0.929 55.464 56.400 -0.011 0.000 0.866 252 E CB 1.308 31.000 29.700 -0.013 0.000 1.232 252 E HN -0.086 nan 8.360 nan 0.000 0.431 253 V N -1.561 118.212 119.914 -0.235 0.000 3.046 253 V HA 0.750 4.869 4.120 -0.001 0.000 0.316 253 V C -2.675 173.110 176.094 -0.514 0.000 1.104 253 V CA -2.268 59.683 62.300 -0.582 0.000 1.006 253 V CB 1.059 32.660 31.823 -0.369 0.000 1.058 253 V HN 0.656 nan 8.190 nan 0.000 0.440 254 P HA 0.232 nan 4.420 nan 0.000 0.269 254 P C -0.245 176.932 177.300 -0.205 0.000 1.215 254 P CA 0.251 63.134 63.100 -0.362 0.000 0.780 254 P CB 0.577 32.079 31.700 -0.331 0.000 0.898 255 S N 0.787 116.410 115.700 -0.128 0.000 2.565 255 S HA 0.629 5.098 4.470 -0.001 0.000 0.276 255 S C 0.134 174.695 174.600 -0.065 0.000 1.326 255 S CA 0.332 58.483 58.200 -0.082 0.000 1.045 255 S CB -0.438 62.725 63.200 -0.061 0.000 0.918 255 S HN 0.639 nan 8.310 nan 0.000 0.505 256 G N 2.316 111.089 108.800 -0.046 0.000 2.559 256 G HA2 0.332 4.291 3.960 -0.001 0.000 0.291 256 G HA3 0.332 4.291 3.960 -0.001 0.000 0.291 256 G C -0.530 174.362 174.900 -0.013 0.000 1.424 256 G CA -0.548 44.533 45.100 -0.030 0.000 0.786 256 G HN 0.566 nan 8.290 nan 0.000 0.485 257 D N -0.588 119.811 120.400 -0.002 0.000 2.183 257 D HA 0.109 4.748 4.640 -0.001 0.000 0.205 257 D C 0.526 176.850 176.300 0.040 0.000 0.962 257 D CA 1.370 55.379 54.000 0.014 0.000 0.849 257 D CB 0.519 41.327 40.800 0.012 0.000 0.978 257 D HN 0.249 nan 8.370 nan 0.000 0.488 258 T N 0.434 115.017 114.554 0.047 0.000 2.912 258 T HA 0.512 4.861 4.350 -0.001 0.000 0.299 258 T C -0.375 174.365 174.700 0.066 0.000 1.052 258 T CA -0.500 61.650 62.100 0.084 0.000 0.996 258 T CB 2.369 71.329 68.868 0.152 0.000 1.070 258 T HN -0.177 nan 8.240 nan 0.000 0.465 259 I N 3.056 123.668 120.570 0.071 0.000 2.404 259 I HA 0.512 4.681 4.170 -0.001 0.000 0.293 259 I C -1.006 175.140 176.117 0.050 0.000 0.992 259 I CA -0.983 60.345 61.300 0.047 0.000 1.149 259 I CB 1.776 39.805 38.000 0.048 0.000 1.315 259 I HN 0.333 nan 8.210 nan 0.000 0.446 260 L N 7.868 129.115 121.223 0.040 0.000 2.329 260 L HA 0.642 4.981 4.340 -0.001 0.000 0.279 260 L C -1.033 175.848 176.870 0.018 0.000 1.014 260 L CA -0.125 54.736 54.840 0.035 0.000 0.814 260 L CB 1.393 43.471 42.059 0.032 0.000 1.257 260 L HN 0.538 nan 8.230 nan 0.000 0.424 261 M N 5.760 125.356 119.600 -0.005 0.000 2.098 261 M HA 0.332 4.811 4.480 -0.001 0.000 0.265 261 M C -1.095 175.214 176.300 0.016 0.000 0.940 261 M CA -0.459 54.859 55.300 0.030 0.000 1.007 261 M CB 1.695 34.325 32.600 0.051 0.000 1.823 261 M HN 0.538 nan 8.290 nan 0.000 0.453 262 K N 2.924 123.348 120.400 0.039 0.000 2.240 262 K HA 0.217 4.536 4.320 -0.001 0.000 0.271 262 K C -0.598 176.115 176.600 0.188 0.000 1.018 262 K CA 0.003 56.296 56.287 0.010 0.000 0.874 262 K CB 0.914 33.377 32.500 -0.060 0.000 1.098 262 K HN 0.666 nan 8.250 nan 0.000 0.458 263 W N 4.271 125.536 121.300 -0.058 0.000 4.849 263 W HA -0.252 4.407 4.660 -0.001 0.000 0.358 263 W C -0.005 176.647 176.519 0.221 0.000 1.331 263 W CA 0.096 57.362 57.345 -0.132 0.000 0.844 263 W CB -1.749 27.695 29.460 -0.026 0.000 2.434 263 W HN 0.582 nan 8.180 nan 0.000 1.458 264 I N -0.992 119.835 120.570 0.428 0.000 2.681 264 I HA -0.123 4.046 4.170 -0.001 0.000 0.247 264 I C 2.489 178.963 176.117 0.595 0.000 1.091 264 I CA 0.680 62.263 61.300 0.471 0.000 1.442 264 I CB -1.404 36.786 38.000 0.318 0.000 1.219 264 I HN -0.108 nan 8.210 nan 0.000 0.451 265 L N 1.104 122.629 121.223 0.503 0.000 2.079 265 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 265 L C 2.655 179.840 176.870 0.525 0.000 1.081 265 L CA 1.986 57.145 54.840 0.532 0.000 0.752 265 L CB -1.172 41.179 42.059 0.486 0.000 0.896 265 L HN 0.533 nan 8.230 nan 0.000 0.433 266 H N -2.085 117.175 119.070 0.317 0.000 2.545 266 H HA -0.100 4.455 4.556 -0.001 0.000 0.282 266 H C 1.235 176.599 175.328 0.060 0.000 1.020 266 H CA 0.725 56.882 56.048 0.181 0.000 1.243 266 H CB -0.091 29.779 29.762 0.179 0.000 1.377 266 H HN 0.255 nan 8.280 nan 0.000 0.581 267 D N -0.046 120.404 120.400 0.084 0.000 2.323 267 D HA 0.009 4.649 4.640 -0.001 0.000 0.209 267 D C -0.338 175.619 176.300 -0.572 0.000 0.973 267 D CA 0.535 54.321 54.000 -0.357 0.000 0.874 267 D CB 0.140 40.753 40.800 -0.310 0.000 0.930 267 D HN 0.440 nan 8.370 nan 0.000 0.521 268 W N 0.435 121.808 121.300 0.121 0.000 2.820 268 W HA 0.359 5.018 4.660 -0.002 0.000 0.350 268 W C 0.509 177.080 176.519 0.087 0.000 1.116 268 W CA -1.000 56.383 57.345 0.063 0.000 1.146 268 W CB 0.494 30.054 29.460 0.167 0.000 1.433 268 W HN -0.365 nan 8.180 nan 0.000 0.561 269 S N 0.012 115.934 115.700 0.371 0.000 2.589 269 S HA -0.003 4.467 4.470 -0.001 0.000 0.265 269 S C 0.577 175.359 174.600 0.303 0.000 1.342 269 S CA 0.032 58.407 58.200 0.293 0.000 1.005 269 S CB 0.809 64.205 63.200 0.326 0.000 0.909 269 S HN 0.512 nan 8.310 nan 0.000 0.555 270 D N 0.546 121.062 120.400 0.193 0.000 2.149 270 D HA -0.110 4.529 4.640 -0.001 0.000 0.198 270 D C 1.920 178.310 176.300 0.150 0.000 0.990 270 D CA 1.587 55.681 54.000 0.156 0.000 0.839 270 D CB -0.341 40.517 40.800 0.097 0.000 0.948 270 D HN 0.722 nan 8.370 nan 0.000 0.460 271 Q N -0.212 119.661 119.800 0.122 0.000 2.079 271 Q HA -0.138 4.201 4.340 -0.001 0.000 0.200 271 Q C 1.695 177.705 176.000 0.016 0.000 0.974 271 Q CA 1.633 57.458 55.803 0.036 0.000 0.840 271 Q CB -0.354 28.360 28.738 -0.040 0.000 0.898 271 Q HN 0.465 nan 8.270 nan 0.000 0.430 272 H N -1.538 117.556 119.070 0.041 0.000 2.353 272 H HA -0.092 4.463 4.556 -0.002 0.000 0.300 272 H C 2.093 177.542 175.328 0.202 0.000 1.090 272 H CA 1.833 57.859 56.048 -0.037 0.000 1.327 272 H CB -0.267 29.454 29.762 -0.068 0.000 1.383 272 H HN 0.337 nan 8.280 nan 0.000 0.508 273 C N 0.205 119.733 119.300 0.380 0.000 2.425 273 C HA -0.073 4.387 4.460 -0.001 0.000 0.277 273 C C 3.017 178.170 174.990 0.271 0.000 1.280 273 C CA 0.821 60.049 59.018 0.350 0.000 1.744 273 C CB -1.070 26.869 27.740 0.331 0.000 1.989 273 C HN 0.693 nan 8.230 nan 0.000 0.491 274 A N 0.173 123.112 122.820 0.199 0.000 1.898 274 A HA -0.149 4.170 4.320 -0.001 0.000 0.216 274 A C 2.204 179.871 177.584 0.139 0.000 1.181 274 A CA 2.411 54.536 52.037 0.146 0.000 0.620 274 A CB -1.032 18.019 19.000 0.086 0.000 0.819 274 A HN 0.539 nan 8.150 nan 0.000 0.442 275 T N 0.167 114.804 114.554 0.137 0.000 2.674 275 T HA -0.138 4.211 4.350 -0.001 0.000 0.265 275 T C 1.867 176.683 174.700 0.194 0.000 1.039 275 T CA 1.585 63.769 62.100 0.140 0.000 1.150 275 T CB -0.404 68.539 68.868 0.126 0.000 0.864 275 T HN 0.325 nan 8.240 nan 0.000 0.427 276 L N 1.104 122.486 121.223 0.264 0.000 2.017 276 L HA 0.032 4.372 4.340 -0.001 0.000 0.208 276 L C 2.179 179.158 176.870 0.182 0.000 1.073 276 L CA 1.639 56.574 54.840 0.158 0.000 0.745 276 L CB -0.897 41.213 42.059 0.086 0.000 0.894 276 L HN 0.256 nan 8.230 nan 0.000 0.432 277 L N -0.646 120.729 121.223 0.252 0.000 2.131 277 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 277 L C 2.573 179.645 176.870 0.337 0.000 1.092 277 L CA 1.371 56.424 54.840 0.356 0.000 0.759 277 L CB -0.520 41.791 42.059 0.421 0.000 0.903 277 L HN 0.291 nan 8.230 nan 0.000 0.435 278 K N 0.429 120.947 120.400 0.197 0.000 2.057 278 K HA -0.124 4.195 4.320 -0.001 0.000 0.206 278 K C 1.847 178.536 176.600 0.149 0.000 1.050 278 K CA 1.248 57.601 56.287 0.111 0.000 0.935 278 K CB -0.084 32.443 32.500 0.045 0.000 0.715 278 K HN 0.145 nan 8.250 nan 0.000 0.439 279 N N 0.026 118.805 118.700 0.131 0.000 2.149 279 N HA -0.166 4.574 4.740 -0.001 0.000 0.188 279 N C 1.716 177.291 175.510 0.108 0.000 1.019 279 N CA 1.448 54.554 53.050 0.094 0.000 0.857 279 N CB -0.691 37.830 38.487 0.057 0.000 0.997 279 N HN 0.256 nan 8.380 nan 0.000 0.426 280 C N -0.287 119.118 119.300 0.175 0.000 2.446 280 C HA -0.062 4.397 4.460 -0.001 0.000 0.277 280 C C 2.469 177.614 174.990 0.258 0.000 1.275 280 C CA -0.154 58.986 59.018 0.203 0.000 1.727 280 C CB -1.284 26.624 27.740 0.279 0.000 2.010 280 C HN 0.462 nan 8.230 nan 0.000 0.486 281 Y N 2.370 122.772 120.300 0.171 0.000 2.128 281 Y HA -0.223 4.326 4.550 -0.001 0.000 0.284 281 Y C 2.088 177.967 175.900 -0.034 0.000 1.154 281 Y CA 2.116 60.203 58.100 -0.022 0.000 1.149 281 Y CB -0.347 37.919 38.460 -0.323 0.000 0.976 281 Y HN 0.331 nan 8.280 nan 0.000 0.505 282 D N -0.137 120.372 120.400 0.183 0.000 2.219 282 D HA -0.097 4.542 4.640 -0.001 0.000 0.205 282 D C 1.881 178.180 176.300 -0.003 0.000 0.970 282 D CA 1.261 55.312 54.000 0.084 0.000 0.851 282 D CB -0.348 40.502 40.800 0.084 0.000 0.943 282 D HN 0.467 nan 8.370 nan 0.000 0.488 283 A N -0.194 122.625 122.820 -0.001 0.000 2.251 283 A HA 0.203 4.522 4.320 -0.001 0.000 0.209 283 A C 0.887 178.445 177.584 -0.042 0.000 1.187 283 A CA -0.018 51.999 52.037 -0.033 0.000 0.823 283 A CB 0.004 18.975 19.000 -0.048 0.000 0.846 283 A HN 0.108 nan 8.150 nan 0.000 0.486 284 L N 1.021 122.209 121.223 -0.058 0.000 2.334 284 L HA 0.400 4.739 4.340 -0.001 0.000 0.272 284 L C -2.099 174.695 176.870 -0.126 0.000 1.020 284 L CA -2.445 52.356 54.840 -0.065 0.000 0.812 284 L CB 1.802 43.850 42.059 -0.017 0.000 1.264 284 L HN 0.059 nan 8.230 nan 0.000 0.439 285 P HA 0.082 nan 4.420 nan 0.000 0.274 285 P C 0.157 177.357 177.300 -0.168 0.000 1.256 285 P CA -0.359 62.675 63.100 -0.111 0.000 0.795 285 P CB 0.882 32.546 31.700 -0.061 0.000 1.038 286 A N 0.813 123.498 122.820 -0.225 0.000 1.958 286 A HA -0.233 4.086 4.320 -0.001 0.000 0.221 286 A C 1.450 178.855 177.584 -0.299 0.000 1.178 286 A CA 1.869 53.707 52.037 -0.332 0.000 0.642 286 A CB -1.816 16.902 19.000 -0.469 0.000 0.816 286 A HN 0.750 nan 8.150 nan 0.000 0.453 287 H N -1.442 117.611 119.070 -0.028 0.000 2.486 287 H HA 0.389 4.945 4.556 -0.002 0.000 0.284 287 H C 1.147 176.488 175.328 0.021 0.000 1.103 287 H CA -0.436 55.615 56.048 0.005 0.000 1.089 287 H CB 0.289 30.055 29.762 0.007 0.000 1.603 287 H HN 0.502 nan 8.280 nan 0.000 0.557 288 G N 1.103 109.958 108.800 0.091 0.000 2.616 288 G HA2 0.383 4.342 3.960 -0.001 0.000 0.268 288 G HA3 0.383 4.342 3.960 -0.001 0.000 0.268 288 G C -0.410 174.582 174.900 0.154 0.000 1.213 288 G CA -0.600 44.554 45.100 0.091 0.000 0.926 288 G HN 0.370 nan 8.290 nan 0.000 0.523 289 K N -1.894 118.594 120.400 0.146 0.000 2.533 289 K HA 0.650 4.969 4.320 -0.001 0.000 0.272 289 K C -1.806 174.846 176.600 0.086 0.000 0.985 289 K CA -0.953 55.425 56.287 0.152 0.000 0.876 289 K CB 2.090 34.657 32.500 0.111 0.000 1.452 289 K HN 0.267 nan 8.250 nan 0.000 0.439 290 V N 1.676 121.568 119.914 -0.037 0.000 2.435 290 V HA 0.359 4.478 4.120 -0.001 0.000 0.290 290 V C -0.879 175.082 176.094 -0.222 0.000 1.030 290 V CA -0.757 61.469 62.300 -0.122 0.000 0.881 290 V CB 1.661 33.341 31.823 -0.238 0.000 0.983 290 V HN 0.564 nan 8.190 nan 0.000 0.445 291 V N 6.873 126.689 119.914 -0.163 0.000 2.350 291 V HA 0.453 4.572 4.120 -0.001 0.000 0.285 291 V C -0.160 175.767 176.094 -0.279 0.000 1.014 291 V CA -0.402 61.758 62.300 -0.233 0.000 0.831 291 V CB 1.369 33.130 31.823 -0.104 0.000 1.000 291 V HN 0.614 nan 8.190 nan 0.000 0.433 292 L N 4.929 125.892 121.223 -0.433 0.000 2.343 292 L HA 0.681 5.021 4.340 -0.001 0.000 0.275 292 L C -0.484 176.184 176.870 -0.335 0.000 1.056 292 L CA -0.836 53.783 54.840 -0.369 0.000 0.804 292 L CB 1.922 43.677 42.059 -0.507 0.000 1.203 292 L HN 0.309 nan 8.230 nan 0.000 0.440 293 V N 2.607 122.373 119.914 -0.247 0.000 2.357 293 V HA 0.451 4.570 4.120 -0.001 0.000 0.281 293 V C -0.306 175.653 176.094 -0.225 0.000 1.015 293 V CA -0.501 61.644 62.300 -0.258 0.000 0.827 293 V CB 1.174 32.840 31.823 -0.262 0.000 1.018 293 V HN 0.734 nan 8.190 nan 0.000 0.432 294 Q N 1.962 121.660 119.800 -0.170 0.000 2.565 294 Q HA 0.517 4.856 4.340 -0.001 0.000 0.294 294 Q C -1.130 174.933 176.000 0.105 0.000 1.005 294 Q CA -0.543 55.241 55.803 -0.032 0.000 0.771 294 Q CB 2.597 31.345 28.738 0.015 0.000 1.486 294 Q HN 0.645 nan 8.270 nan 0.000 0.422 295 C N 0.746 120.195 119.300 0.248 0.000 2.422 295 C HA 0.675 5.134 4.460 -0.001 0.000 0.364 295 C C 0.374 175.518 174.990 0.257 0.000 1.251 295 C CA -0.342 58.868 59.018 0.320 0.000 2.441 295 C CB -0.047 27.880 27.740 0.312 0.000 2.393 295 C HN 0.538 nan 8.230 nan 0.000 0.606 296 I N 1.660 122.327 120.570 0.161 0.000 2.499 296 I HA 0.264 4.433 4.170 -0.001 0.000 0.288 296 I C -0.541 175.573 176.117 -0.005 0.000 1.048 296 I CA -0.327 60.990 61.300 0.029 0.000 1.062 296 I CB 1.125 38.892 38.000 -0.387 0.000 1.238 296 I HN 0.452 nan 8.210 nan 0.000 0.426 297 L N 8.028 129.197 121.223 -0.090 0.000 2.559 297 L HA 0.136 4.475 4.340 -0.001 0.000 0.274 297 L C -1.899 174.982 176.870 0.017 0.000 1.205 297 L CA -1.247 53.463 54.840 -0.217 0.000 0.907 297 L CB 0.062 41.605 42.059 -0.861 0.000 1.153 297 L HN 0.283 nan 8.230 nan 0.000 0.490 298 P HA 0.100 nan 4.420 nan 0.000 0.280 298 P C -0.565 176.938 177.300 0.338 0.000 1.244 298 P CA -0.334 62.875 63.100 0.181 0.000 0.784 298 P CB 1.383 33.139 31.700 0.094 0.000 0.913 299 V N 4.290 124.359 119.914 0.258 0.000 2.508 299 V HA 0.022 4.141 4.120 -0.001 0.000 0.281 299 V C 1.186 177.362 176.094 0.136 0.000 1.041 299 V CA 0.119 62.528 62.300 0.181 0.000 1.016 299 V CB -0.624 31.239 31.823 0.066 0.000 0.984 299 V HN 0.816 nan 8.190 nan 0.000 0.478 300 N N 3.813 122.589 118.700 0.128 0.000 2.678 300 N HA -0.139 4.600 4.740 -0.001 0.000 0.268 300 N C -1.754 173.824 175.510 0.114 0.000 1.010 300 N CA 0.449 53.560 53.050 0.102 0.000 0.784 300 N CB -0.292 38.227 38.487 0.054 0.000 0.905 300 N HN 0.655 nan 8.380 nan 0.000 0.552 301 P HA 0.241 nan 4.420 nan 0.000 0.282 301 P C -0.638 176.734 177.300 0.119 0.000 1.287 301 P CA -0.252 62.931 63.100 0.139 0.000 0.792 301 P CB 0.872 32.682 31.700 0.184 0.000 1.163 302 E N -0.749 119.506 120.200 0.091 0.000 2.212 302 E HA 0.531 4.880 4.350 -0.001 0.000 0.270 302 E C -0.502 176.151 176.600 0.088 0.000 0.956 302 E CA -1.122 55.322 56.400 0.075 0.000 0.825 302 E CB 1.529 31.256 29.700 0.045 0.000 1.167 302 E HN 0.481 nan 8.360 nan 0.000 0.400 303 A N 3.017 125.888 122.820 0.086 0.000 2.444 303 A HA 0.317 4.636 4.320 -0.001 0.000 0.273 303 A C -0.361 177.258 177.584 0.059 0.000 1.136 303 A CA -0.138 51.956 52.037 0.096 0.000 0.799 303 A CB -0.720 18.334 19.000 0.090 0.000 1.081 303 A HN 0.692 nan 8.150 nan 0.000 0.509 304 N N 1.418 120.146 118.700 0.047 0.000 3.116 304 N HA 0.433 5.172 4.740 -0.001 0.000 0.244 304 N C -3.008 172.494 175.510 -0.014 0.000 1.485 304 N CA -1.545 51.513 53.050 0.014 0.000 0.884 304 N CB 0.595 39.080 38.487 -0.002 0.000 1.415 304 N HN -0.018 nan 8.380 nan 0.000 0.524 305 P HA -0.167 nan 4.420 nan 0.000 0.218 305 P C 1.024 178.261 177.300 -0.104 0.000 1.146 305 P CA 1.512 64.576 63.100 -0.058 0.000 0.813 305 P CB 0.221 31.899 31.700 -0.037 0.000 0.778 306 S N -0.560 115.084 115.700 -0.092 0.000 2.335 306 S HA -0.127 4.342 4.470 -0.001 0.000 0.217 306 S C 2.147 176.643 174.600 -0.174 0.000 1.032 306 S CA 1.941 60.077 58.200 -0.107 0.000 0.985 306 S CB -1.050 62.099 63.200 -0.085 0.000 0.896 306 S HN 0.240 nan 8.310 nan 0.000 0.445 307 S N 1.155 116.742 115.700 -0.189 0.000 2.355 307 S HA -0.145 4.325 4.470 -0.001 0.000 0.222 307 S C 2.003 176.274 174.600 -0.548 0.000 1.031 307 S CA 1.202 59.163 58.200 -0.399 0.000 0.993 307 S CB -0.955 62.147 63.200 -0.163 0.000 0.859 307 S HN 0.674 nan 8.310 nan 0.000 0.453 308 Q N 1.314 121.007 119.800 -0.178 0.000 2.096 308 Q HA -0.026 4.313 4.340 -0.001 0.000 0.204 308 Q C 2.490 178.279 176.000 -0.353 0.000 0.982 308 Q CA 1.382 57.147 55.803 -0.063 0.000 0.850 308 Q CB -0.855 27.869 28.738 -0.023 0.000 0.901 308 Q HN 0.761 nan 8.270 nan 0.000 0.422 309 G N 0.193 108.754 108.800 -0.399 0.000 2.418 309 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.217 309 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.217 309 G C 1.489 176.283 174.900 -0.176 0.000 1.158 309 G CA 0.943 45.816 45.100 -0.377 0.000 0.771 309 G HN 0.229 nan 8.290 nan 0.000 0.545 310 V N 0.481 120.255 119.914 -0.233 0.000 2.427 310 V HA -0.062 4.057 4.120 -0.001 0.000 0.248 310 V C 2.460 178.526 176.094 -0.047 0.000 1.051 310 V CA 1.186 63.395 62.300 -0.153 0.000 1.048 310 V CB -0.621 31.038 31.823 -0.273 0.000 0.666 310 V HN 0.283 nan 8.190 nan 0.000 0.456 311 F N -0.059 119.935 119.950 0.073 0.000 2.293 311 F HA -0.040 4.486 4.527 -0.001 0.000 0.300 311 F C 2.299 178.212 175.800 0.189 0.000 1.086 311 F CA 0.854 58.917 58.000 0.106 0.000 1.375 311 F CB -1.264 37.799 39.000 0.105 0.000 1.045 311 F HN 0.302 nan 8.300 nan 0.000 0.516 312 H N -0.829 118.358 119.070 0.195 0.000 2.293 312 H HA -0.126 4.429 4.556 -0.001 0.000 0.300 312 H C 2.305 177.706 175.328 0.121 0.000 1.082 312 H CA 1.544 57.676 56.048 0.139 0.000 1.308 312 H CB -0.165 29.657 29.762 0.099 0.000 1.375 312 H HN 0.036 nan 8.280 nan 0.000 0.495 313 V N 0.934 120.991 119.914 0.237 0.000 2.407 313 V HA -0.228 3.891 4.120 -0.001 0.000 0.248 313 V C 1.973 178.110 176.094 0.072 0.000 1.055 313 V CA 2.009 64.376 62.300 0.112 0.000 1.049 313 V CB -0.440 31.448 31.823 0.107 0.000 0.662 313 V HN 0.453 nan 8.190 nan 0.000 0.455 314 D N -0.356 120.125 120.400 0.135 0.000 2.144 314 D HA -0.198 4.441 4.640 -0.001 0.000 0.199 314 D C 2.077 178.409 176.300 0.053 0.000 0.984 314 D CA 1.342 55.399 54.000 0.096 0.000 0.834 314 D CB -0.064 40.834 40.800 0.163 0.000 0.955 314 D HN 0.170 nan 8.370 nan 0.000 0.465 315 M N -0.102 119.568 119.600 0.117 0.000 2.254 315 M HA 0.020 4.500 4.480 -0.001 0.000 0.265 315 M C 2.176 178.497 176.300 0.036 0.000 1.066 315 M CA 0.740 56.115 55.300 0.126 0.000 1.123 315 M CB -0.575 32.168 32.600 0.239 0.000 1.388 315 M HN 0.229 nan 8.290 nan 0.000 0.425 316 I N -0.456 120.128 120.570 0.023 0.000 2.315 316 I HA -0.287 3.882 4.170 -0.001 0.000 0.248 316 I C 2.260 178.203 176.117 -0.290 0.000 1.117 316 I CA 0.767 61.995 61.300 -0.120 0.000 1.404 316 I CB -0.237 37.778 38.000 0.024 0.000 1.071 316 I HN 0.204 nan 8.210 nan 0.000 0.419 317 M N -0.191 119.267 119.600 -0.235 0.000 2.132 317 M HA -0.161 4.318 4.480 -0.001 0.000 0.263 317 M C 2.401 178.529 176.300 -0.286 0.000 1.065 317 M CA 1.624 56.745 55.300 -0.299 0.000 1.122 317 M CB -1.196 31.236 32.600 -0.281 0.000 1.365 317 M HN 0.253 nan 8.290 nan 0.000 0.411 318 L N 0.837 121.921 121.223 -0.231 0.000 2.046 318 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 318 L C 2.451 179.125 176.870 -0.327 0.000 1.077 318 L CA 2.062 56.777 54.840 -0.209 0.000 0.747 318 L CB -0.991 40.996 42.059 -0.119 0.000 0.896 318 L HN 0.218 nan 8.230 nan 0.000 0.432 319 A N -1.459 121.027 122.820 -0.556 0.000 1.898 319 A HA -0.175 4.144 4.320 -0.001 0.000 0.216 319 A C 2.011 179.183 177.584 -0.686 0.000 1.181 319 A CA 1.845 53.362 52.037 -0.867 0.000 0.620 319 A CB -0.669 17.303 19.000 -1.713 0.000 0.819 319 A HN 0.713 nan 8.150 nan 0.000 0.442 320 H N -1.495 117.353 119.070 -0.369 0.000 2.695 320 H HA 0.183 4.738 4.556 -0.002 0.000 0.267 320 H C -0.130 174.897 175.328 -0.502 0.000 0.973 320 H CA -0.047 55.761 56.048 -0.400 0.000 1.223 320 H CB -0.116 29.341 29.762 -0.509 0.000 1.442 320 H HN 0.350 nan 8.280 nan 0.000 0.478 321 N N 2.526 121.003 118.700 -0.372 0.000 2.489 321 N HA 0.192 4.931 4.740 -0.001 0.000 0.284 321 N C -2.499 172.782 175.510 -0.382 0.000 1.158 321 N CA -1.819 50.936 53.050 -0.492 0.000 0.965 321 N CB 0.879 39.024 38.487 -0.569 0.000 1.195 321 N HN -0.063 nan 8.380 nan 0.000 0.506 322 P HA 0.142 nan 4.420 nan 0.000 0.259 322 P C 0.605 177.825 177.300 -0.134 0.000 1.635 322 P CA 0.364 63.323 63.100 -0.235 0.000 1.199 322 P CB -0.246 31.338 31.700 -0.193 0.000 1.850 323 G N 2.011 110.759 108.800 -0.087 0.000 2.179 323 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.260 323 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.260 323 G C 0.668 175.550 174.900 -0.029 0.000 0.977 323 G CA -0.290 44.804 45.100 -0.009 0.000 0.641 323 G HN 0.762 nan 8.290 nan 0.000 0.533 324 G N 0.036 108.753 108.800 -0.139 0.000 2.559 324 G HA2 0.592 4.551 3.960 -0.001 0.000 0.235 324 G HA3 0.592 4.551 3.960 -0.001 0.000 0.235 324 G C 0.279 175.116 174.900 -0.105 0.000 1.266 324 G CA 0.754 45.763 45.100 -0.151 0.000 0.847 324 G HN 1.548 nan 8.290 nan 0.000 0.583 325 R N 0.068 120.535 120.500 -0.054 0.000 2.753 325 R HA 0.305 4.644 4.340 -0.001 0.000 0.272 325 R C -1.454 174.870 176.300 0.040 0.000 1.034 325 R CA -1.011 55.077 56.100 -0.021 0.000 0.869 325 R CB 0.894 31.190 30.300 -0.006 0.000 1.264 325 R HN 0.370 nan 8.270 nan 0.000 0.481 326 E N 1.650 121.880 120.200 0.049 0.000 2.318 326 E HA 0.426 4.775 4.350 -0.001 0.000 0.265 326 E C -0.454 176.109 176.600 -0.062 0.000 1.069 326 E CA -0.549 55.900 56.400 0.082 0.000 0.893 326 E CB 1.150 30.908 29.700 0.096 0.000 1.076 326 E HN 0.399 nan 8.360 nan 0.000 0.414 327 R N 0.878 121.297 120.500 -0.136 0.000 2.795 327 R HA 0.368 4.707 4.340 -0.001 0.000 0.275 327 R C -0.733 175.440 176.300 -0.213 0.000 0.981 327 R CA -0.833 55.083 56.100 -0.306 0.000 0.917 327 R CB 1.126 31.014 30.300 -0.688 0.000 1.202 327 R HN 0.390 nan 8.270 nan 0.000 0.469 328 Y N 1.060 121.346 120.300 -0.023 0.000 2.326 328 Y HA -0.044 4.505 4.550 -0.002 0.000 0.333 328 Y C 1.911 177.871 175.900 0.099 0.000 1.240 328 Y CA 0.098 58.225 58.100 0.047 0.000 1.365 328 Y CB 0.614 39.095 38.460 0.034 0.000 1.289 328 Y HN 0.730 nan 8.280 nan 0.000 0.548 329 E N 1.867 122.229 120.200 0.271 0.000 2.097 329 E HA -0.304 4.045 4.350 -0.001 0.000 0.196 329 E C 1.958 178.698 176.600 0.234 0.000 1.000 329 E CA 1.940 58.487 56.400 0.245 0.000 0.804 329 E CB 0.024 29.750 29.700 0.043 0.000 0.740 329 E HN 0.784 nan 8.360 nan 0.000 0.454 330 R N 0.231 120.831 120.500 0.167 0.000 2.152 330 R HA -0.127 4.212 4.340 -0.001 0.000 0.232 330 R C 1.804 178.171 176.300 0.112 0.000 1.117 330 R CA 1.666 57.835 56.100 0.114 0.000 0.981 330 R CB -0.328 30.009 30.300 0.062 0.000 0.870 330 R HN 0.232 nan 8.270 nan 0.000 0.451 331 E N 0.241 120.509 120.200 0.113 0.000 2.107 331 E HA -0.082 4.267 4.350 -0.001 0.000 0.191 331 E C 1.513 178.129 176.600 0.025 0.000 0.982 331 E CA 0.882 57.299 56.400 0.029 0.000 0.809 331 E CB -0.103 29.573 29.700 -0.040 0.000 0.756 331 E HN 0.295 nan 8.360 nan 0.000 0.459 332 F N 1.724 121.761 119.950 0.146 0.000 2.186 332 F HA -0.119 4.407 4.527 -0.001 0.000 0.299 332 F C 2.385 178.263 175.800 0.131 0.000 1.090 332 F CA 1.132 59.266 58.000 0.223 0.000 1.307 332 F CB -0.200 38.956 39.000 0.260 0.000 1.019 332 F HN -0.036 nan 8.300 nan 0.000 0.489 333 Q N -0.323 119.626 119.800 0.249 0.000 2.119 333 Q HA -0.139 4.200 4.340 -0.001 0.000 0.201 333 Q C 2.517 178.513 176.000 -0.006 0.000 0.972 333 Q CA 1.322 57.167 55.803 0.070 0.000 0.847 333 Q CB -0.447 28.340 28.738 0.082 0.000 0.903 333 Q HN 0.421 nan 8.270 nan 0.000 0.433 334 A N 0.976 123.818 122.820 0.036 0.000 1.902 334 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 334 A C 2.072 179.661 177.584 0.009 0.000 1.181 334 A CA 1.003 53.050 52.037 0.017 0.000 0.623 334 A CB -0.616 18.401 19.000 0.029 0.000 0.818 334 A HN 0.265 nan 8.150 nan 0.000 0.443 335 L N -0.845 120.402 121.223 0.040 0.000 2.046 335 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 335 L C 3.131 179.999 176.870 -0.003 0.000 1.077 335 L CA 1.064 55.949 54.840 0.074 0.000 0.747 335 L CB -0.588 41.588 42.059 0.194 0.000 0.896 335 L HN 0.449 nan 8.230 nan 0.000 0.432 336 A N 0.151 122.804 122.820 -0.278 0.000 1.877 336 A HA -0.265 4.054 4.320 -0.001 0.000 0.216 336 A C 2.416 179.955 177.584 -0.075 0.000 1.186 336 A CA 1.921 53.636 52.037 -0.537 0.000 0.620 336 A CB -0.608 17.480 19.000 -1.520 0.000 0.822 336 A HN 0.349 nan 8.150 nan 0.000 0.443 337 R N -0.608 119.837 120.500 -0.091 0.000 2.081 337 R HA -0.111 4.228 4.340 -0.001 0.000 0.235 337 R C 2.174 178.451 176.300 -0.039 0.000 1.131 337 R CA 1.572 57.651 56.100 -0.035 0.000 0.960 337 R CB -0.682 29.601 30.300 -0.028 0.000 0.856 337 R HN 0.458 nan 8.270 nan 0.000 0.436 338 G N -0.687 108.098 108.800 -0.024 0.000 2.471 338 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.219 338 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.219 338 G C 1.213 176.078 174.900 -0.060 0.000 1.125 338 G CA 0.611 45.694 45.100 -0.029 0.000 0.775 338 G HN 0.462 nan 8.290 nan 0.000 0.548 339 A N -0.908 121.888 122.820 -0.041 0.000 2.238 339 A HA 0.518 4.837 4.320 -0.001 0.000 0.210 339 A C 1.905 179.183 177.584 -0.511 0.000 1.179 339 A CA 1.212 53.173 52.037 -0.127 0.000 0.827 339 A CB -0.086 19.002 19.000 0.146 0.000 0.856 339 A HN 1.449 nan 8.150 nan 0.000 0.488 340 G N -1.800 106.753 108.800 -0.411 0.000 2.201 340 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.212 340 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.212 340 G C 0.008 174.732 174.900 -0.293 0.000 0.994 340 G CA -0.134 44.620 45.100 -0.577 0.000 0.644 340 G HN 0.274 nan 8.290 nan 0.000 0.508 341 F N 1.628 121.592 119.950 0.024 0.000 2.459 341 F HA 0.468 4.994 4.527 -0.002 0.000 0.346 341 F C 1.916 177.736 175.800 0.033 0.000 1.128 341 F CA 1.056 59.127 58.000 0.119 0.000 1.268 341 F CB 1.352 40.389 39.000 0.062 0.000 1.161 341 F HN 0.088 nan 8.300 nan 0.000 0.583 342 T N -1.773 112.934 114.554 0.255 0.000 3.010 342 T HA 0.394 4.744 4.350 -0.001 0.000 0.257 342 T C 0.497 175.275 174.700 0.130 0.000 1.020 342 T CA 0.142 62.329 62.100 0.144 0.000 0.938 342 T CB -0.006 68.932 68.868 0.118 0.000 1.049 342 T HN 0.710 nan 8.240 nan 0.000 0.522 343 G N 0.632 109.534 108.800 0.170 0.000 2.566 343 G HA2 0.606 4.565 3.960 -0.001 0.000 0.311 343 G HA3 0.606 4.565 3.960 -0.001 0.000 0.311 343 G C -1.653 173.338 174.900 0.152 0.000 1.322 343 G CA -0.616 44.568 45.100 0.139 0.000 0.969 343 G HN 0.265 nan 8.290 nan 0.000 0.490 344 V N 1.721 121.716 119.914 0.134 0.000 2.623 344 V HA 0.636 4.755 4.120 -0.001 0.000 0.304 344 V C -0.333 175.846 176.094 0.141 0.000 1.054 344 V CA -0.908 61.503 62.300 0.186 0.000 0.882 344 V CB 1.927 33.850 31.823 0.167 0.000 1.002 344 V HN 0.820 nan 8.190 nan 0.000 0.424 345 K N 2.717 123.199 120.400 0.135 0.000 2.507 345 K HA 0.658 4.977 4.320 -0.001 0.000 0.251 345 K C -1.091 175.565 176.600 0.093 0.000 0.943 345 K CA -0.279 56.072 56.287 0.107 0.000 0.794 345 K CB 2.015 34.576 32.500 0.102 0.000 1.188 345 K HN 0.666 nan 8.250 nan 0.000 0.428 346 S N 2.036 117.806 115.700 0.116 0.000 2.437 346 S HA 0.376 4.845 4.470 -0.001 0.000 0.305 346 S C -0.945 173.854 174.600 0.331 0.000 1.109 346 S CA -0.567 57.738 58.200 0.175 0.000 1.099 346 S CB 1.691 64.940 63.200 0.082 0.000 1.004 346 S HN 0.555 nan 8.310 nan 0.000 0.475 347 T N 3.413 118.144 114.554 0.294 0.000 2.833 347 T HA 0.281 4.630 4.350 -0.001 0.000 0.297 347 T C -0.696 174.032 174.700 0.046 0.000 1.015 347 T CA -0.391 61.825 62.100 0.193 0.000 0.963 347 T CB 0.234 69.162 68.868 0.101 0.000 0.955 347 T HN 0.542 nan 8.240 nan 0.000 0.449 348 Y N 4.820 124.883 120.300 -0.393 0.000 2.597 348 Y HA 0.130 4.679 4.550 -0.001 0.000 0.336 348 Y C 0.437 176.021 175.900 -0.528 0.000 1.216 348 Y CA -0.197 57.262 58.100 -1.069 0.000 1.463 348 Y CB 0.272 37.892 38.460 -1.399 0.000 1.303 348 Y HN 0.511 nan 8.280 nan 0.000 0.576 349 I N 4.118 123.924 120.570 -1.272 0.000 3.744 349 I HA 0.167 4.336 4.170 -0.001 0.000 0.240 349 I C -0.847 174.817 176.117 -0.755 0.000 1.096 349 I CA 0.183 61.022 61.300 -0.769 0.000 1.558 349 I CB -0.638 37.042 38.000 -0.534 0.000 1.531 349 I HN 0.585 nan 8.210 nan 0.000 0.459 350 Y N -0.497 119.163 120.300 -1.068 0.000 2.583 350 Y HA 0.523 5.072 4.550 -0.001 0.000 0.330 350 Y C -0.091 175.532 175.900 -0.460 0.000 1.185 350 Y CA -0.804 56.911 58.100 -0.642 0.000 1.107 350 Y CB 1.134 39.355 38.460 -0.398 0.000 1.344 350 Y HN 0.253 nan 8.280 nan 0.000 0.463 351 A N 3.924 126.481 122.820 -0.438 0.000 2.560 351 A HA -0.277 4.042 4.320 -0.001 0.000 0.299 351 A C 0.787 178.331 177.584 -0.067 0.000 1.484 351 A CA 1.553 53.450 52.037 -0.234 0.000 0.749 351 A CB -1.968 16.939 19.000 -0.156 0.000 1.072 351 A HN 1.353 nan 8.150 nan 0.000 0.426 352 N N -3.971 114.763 118.700 0.056 0.000 2.936 352 N HA -0.218 4.522 4.740 -0.001 0.000 0.236 352 N C 0.203 175.803 175.510 0.149 0.000 0.930 352 N CA 2.053 55.224 53.050 0.202 0.000 0.966 352 N CB -1.792 36.787 38.487 0.152 0.000 1.090 352 N HN 2.078 nan 8.380 nan 0.000 0.592 353 A N -0.241 122.481 122.820 -0.163 0.000 2.320 353 A HA 0.544 4.863 4.320 -0.001 0.000 0.287 353 A C -0.369 176.983 177.584 -0.386 0.000 1.181 353 A CA -0.167 51.747 52.037 -0.205 0.000 0.831 353 A CB 0.269 19.085 19.000 -0.305 0.000 1.102 353 A HN 0.264 nan 8.150 nan 0.000 0.513 354 W N 1.005 122.154 121.300 -0.251 0.000 2.689 354 W HA 0.592 5.251 4.660 -0.002 0.000 0.340 354 W C 0.117 176.435 176.519 -0.334 0.000 1.060 354 W CA -0.287 56.914 57.345 -0.240 0.000 1.218 354 W CB 2.042 31.429 29.460 -0.122 0.000 1.410 354 W HN 0.834 nan 8.180 nan 0.000 0.528 355 A N 4.030 126.771 122.820 -0.131 0.000 2.252 355 A HA 0.729 5.049 4.320 -0.001 0.000 0.309 355 A C -0.864 176.563 177.584 -0.262 0.000 1.285 355 A CA -0.520 51.294 52.037 -0.371 0.000 0.900 355 A CB -0.162 18.424 19.000 -0.690 0.000 1.157 355 A HN 0.602 nan 8.150 nan 0.000 0.536 356 I N 2.558 122.918 120.570 -0.350 0.000 2.354 356 I HA 0.240 4.410 4.170 -0.001 0.000 0.286 356 I C 0.042 175.907 176.117 -0.420 0.000 1.007 356 I CA -0.131 60.962 61.300 -0.344 0.000 1.167 356 I CB 1.527 39.217 38.000 -0.517 0.000 1.320 356 I HN 0.652 nan 8.210 nan 0.000 0.458 357 E N 5.656 125.739 120.200 -0.195 0.000 2.167 357 E HA 0.367 4.717 4.350 -0.001 0.000 0.284 357 E C -1.281 175.369 176.600 0.083 0.000 1.016 357 E CA -0.526 55.808 56.400 -0.109 0.000 0.817 357 E CB 1.246 30.963 29.700 0.028 0.000 1.080 357 E HN 0.254 nan 8.360 nan 0.000 0.397 358 F N 2.054 121.880 119.950 -0.207 0.000 2.411 358 F HA 0.240 4.766 4.527 -0.002 0.000 0.352 358 F C 0.687 176.370 175.800 -0.194 0.000 1.123 358 F CA -1.146 56.656 58.000 -0.330 0.000 1.044 358 F CB 1.311 39.782 39.000 -0.883 0.000 1.135 358 F HN 0.201 nan 8.300 nan 0.000 0.461 359 T N 0.751 115.457 114.554 0.254 0.000 2.912 359 T HA 0.598 4.948 4.350 -0.001 0.000 0.288 359 T C -0.068 174.919 174.700 0.478 0.000 1.030 359 T CA -1.108 61.185 62.100 0.322 0.000 1.020 359 T CB 2.313 71.302 68.868 0.202 0.000 1.056 359 T HN 0.369 nan 8.240 nan 0.000 0.480 360 K N 0.000 120.656 120.400 0.426 0.000 2.780 360 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 360 K CA 0.000 56.483 56.287 0.327 0.000 0.838 360 K CB 0.000 32.584 32.500 0.139 0.000 1.064 360 K HN 0.000 nan 8.250 nan 0.000 0.543