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 1wd8_1_A DATA FIRST_RESID 2 DATA SEQUENCE AQGTLIRVTP EQPTHAVCVL GTLTQLDICS SXXXXXXSFS INASPGVVVD DATA SEQUENCE IAHXXXXXXX XXXXSTWPLD PGVEVTLTMK AASGSTGDQK VQISYYGPKT DATA SEQUENCE PPVKALLYLT AVEISLCADI TRTGKVKXXX XXXXQRTWTW GPCGQGAILL DATA SEQUENCE VNCDRDXXXX XXXXXXXXXX LDSEDLQDMS LMTLSTKTPK DFFTNHTLVL DATA SEQUENCE HVARSEMDKV RVFQATRXXX XXKCSVVLGP KWPSHYLMVP GGKHNMDFYV DATA SEQUENCE EALAFPDTDF PGLITLTISL LDTSNLELPE AVVFQDSVVF RVAPWIMTPN DATA SEQUENCE TQPPQEVYAC SXXXXXXXLK SVTTLAMKAK CKLTICXXXX XXXXXXXQDE DATA SEQUENCE MEIGYIQAPH KTLPVVFDSX XXXXXXXXXX XXXXXXDFGY VTRGXXXXXX DATA SEQUENCE XGLDSFGNLE VSPPVTVRGK EYPLGRILFG DSCYPSNDSR QMHQALQDFL DATA SEQUENCE SAQQVQAPVK LYSDWLSVGH VDEFLSFVPA PDRKGFRLLL ASPRSCYKLF DATA SEQUENCE QEQQNEGHGE ALLFXXXXXX KQQKIKNILS NKTLREHNSF VERCIDWNRE DATA SEQUENCE LLKRELGLAE SDIIDIPQLF KLKEFSKAEA FFPNMVNMLV LGKHLGIPKP DATA SEQUENCE FGPVINGRCC LEEKVCSLLE PLGLQCTFIN DXXXXXXXXX XXXCGTNVRR DATA SEQUENCE KPFSFKWWNM VP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.602 177.584 0.031 0.000 1.274 2 A CA 0.000 52.051 52.037 0.024 0.000 0.836 2 A CB 0.000 19.017 19.000 0.028 0.000 0.831 3 Q N -1.135 118.693 119.800 0.046 0.000 2.484 3 Q HA 0.730 5.070 4.340 -0.001 0.000 0.285 3 Q C -0.018 176.026 176.000 0.073 0.000 1.097 3 Q CA 0.638 56.470 55.803 0.049 0.000 0.802 3 Q CB 1.856 30.617 28.738 0.039 0.000 1.444 3 Q HN 2.655 nan 8.270 nan 0.000 0.429 4 G N 0.164 109.005 108.800 0.068 0.000 2.288 4 G HA2 0.108 4.068 3.960 -0.001 0.000 0.227 4 G HA3 0.108 4.068 3.960 -0.001 0.000 0.227 4 G C -0.940 173.999 174.900 0.065 0.000 1.339 4 G CA -0.247 44.905 45.100 0.086 0.000 1.057 4 G HN 0.933 nan 8.290 nan 0.000 0.470 5 T N -0.847 113.747 114.554 0.066 0.000 2.881 5 T HA 0.643 4.992 4.350 -0.001 0.000 0.278 5 T C -0.796 173.928 174.700 0.040 0.000 0.982 5 T CA -0.194 61.940 62.100 0.057 0.000 0.989 5 T CB 1.290 70.198 68.868 0.066 0.000 1.058 5 T HN 1.379 nan 8.240 nan 0.000 0.529 6 L N 3.616 124.861 121.223 0.037 0.000 2.342 6 L HA 0.589 4.928 4.340 -0.001 0.000 0.276 6 L C -0.880 176.007 176.870 0.027 0.000 0.997 6 L CA -0.662 54.194 54.840 0.027 0.000 0.838 6 L CB 0.792 42.865 42.059 0.023 0.000 1.224 6 L HN 0.677 nan 8.230 nan 0.000 0.416 7 I N 4.940 125.524 120.570 0.023 0.000 2.331 7 I HA 0.374 4.543 4.170 -0.001 0.000 0.292 7 I C 0.105 176.231 176.117 0.015 0.000 0.998 7 I CA -0.611 60.704 61.300 0.025 0.000 1.267 7 I CB 0.989 39.004 38.000 0.026 0.000 1.386 7 I HN 0.524 nan 8.210 nan 0.000 0.476 8 R N 5.056 125.567 120.500 0.019 0.000 2.312 8 R HA 0.519 4.858 4.340 -0.001 0.000 0.311 8 R C -0.828 175.484 176.300 0.019 0.000 1.004 8 R CA -0.575 55.532 56.100 0.012 0.000 0.902 8 R CB 1.766 32.072 30.300 0.011 0.000 1.073 8 R HN 0.528 nan 8.270 nan 0.000 0.457 9 V N -0.443 119.482 119.914 0.018 0.000 2.459 9 V HA 0.742 4.861 4.120 -0.001 0.000 0.295 9 V C -0.303 175.807 176.094 0.027 0.000 1.029 9 V CA -0.594 61.728 62.300 0.036 0.000 0.874 9 V CB 1.757 33.610 31.823 0.050 0.000 0.985 9 V HN 0.878 nan 8.190 nan 0.000 0.438 10 T N 2.028 116.589 114.554 0.011 0.000 2.847 10 T HA 0.555 4.904 4.350 -0.001 0.000 0.291 10 T C -1.971 172.701 174.700 -0.046 0.000 0.998 10 T CA -1.841 60.236 62.100 -0.038 0.000 0.967 10 T CB 1.695 70.546 68.868 -0.028 0.000 0.954 10 T HN 0.474 nan 8.240 nan 0.000 0.441 11 P HA -0.160 nan 4.420 nan 0.000 0.221 11 P C 1.220 178.488 177.300 -0.054 0.000 1.141 11 P CA 0.978 64.017 63.100 -0.102 0.000 0.794 11 P CB 0.331 31.902 31.700 -0.214 0.000 0.764 12 E N 0.325 120.495 120.200 -0.049 0.000 1.998 12 E HA -0.160 4.189 4.350 -0.001 0.000 0.196 12 E C 1.002 177.599 176.600 -0.005 0.000 1.003 12 E CA 0.961 57.345 56.400 -0.027 0.000 0.829 12 E CB -0.077 29.608 29.700 -0.025 0.000 0.777 12 E HN 0.280 nan 8.360 nan 0.000 0.460 13 Q N 0.306 120.110 119.800 0.006 0.000 2.394 13 Q HA 0.471 4.810 4.340 -0.001 0.000 0.273 13 Q C -2.600 173.428 176.000 0.046 0.000 1.089 13 Q CA -2.540 53.277 55.803 0.023 0.000 0.812 13 Q CB 1.991 30.739 28.738 0.016 0.000 1.353 13 Q HN -0.040 nan 8.270 nan 0.000 0.438 14 P HA 0.009 nan 4.420 nan 0.000 0.269 14 P C -0.657 176.707 177.300 0.108 0.000 1.211 14 P CA 0.166 63.320 63.100 0.090 0.000 0.781 14 P CB 0.414 32.156 31.700 0.070 0.000 0.877 15 T N 1.453 116.072 114.554 0.109 0.000 2.925 15 T HA 0.439 4.788 4.350 -0.001 0.000 0.285 15 T C -0.434 174.336 174.700 0.115 0.000 1.021 15 T CA -0.282 61.903 62.100 0.142 0.000 1.042 15 T CB 0.449 69.375 68.868 0.097 0.000 1.037 15 T HN 0.377 nan 8.240 nan 0.000 0.481 16 H N -0.073 119.033 119.070 0.059 0.000 2.622 16 H HA 0.810 5.365 4.556 -0.001 0.000 0.363 16 H C -0.363 175.015 175.328 0.083 0.000 1.151 16 H CA -0.490 55.607 56.048 0.081 0.000 1.184 16 H CB 1.754 31.533 29.762 0.029 0.000 1.643 16 H HN 0.917 nan 8.280 nan 0.000 0.531 17 A N 1.191 124.130 122.820 0.198 0.000 2.599 17 A HA 0.562 4.881 4.320 -0.001 0.000 0.294 17 A C -1.506 176.146 177.584 0.113 0.000 1.055 17 A CA -0.708 51.413 52.037 0.141 0.000 0.683 17 A CB 0.700 19.757 19.000 0.095 0.000 1.278 17 A HN 0.431 nan 8.150 nan 0.000 0.412 18 V N -0.762 119.204 119.914 0.086 0.000 2.617 18 V HA 0.613 4.732 4.120 -0.001 0.000 0.298 18 V C -0.099 175.984 176.094 -0.019 0.000 1.048 18 V CA -0.704 61.610 62.300 0.023 0.000 0.964 18 V CB 1.127 32.938 31.823 -0.021 0.000 1.004 18 V HN 0.997 nan 8.190 nan 0.000 0.466 19 C N 3.331 122.589 119.300 -0.070 0.000 2.364 19 C HA 0.613 5.072 4.460 -0.001 0.000 0.324 19 C C 0.145 175.024 174.990 -0.185 0.000 1.234 19 C CA -0.753 58.207 59.018 -0.096 0.000 1.417 19 C CB 0.909 28.610 27.740 -0.065 0.000 2.101 19 C HN 0.694 nan 8.230 nan 0.000 0.466 20 V N 4.516 124.268 119.914 -0.269 0.000 2.583 20 V HA 0.211 4.330 4.120 -0.001 0.000 0.287 20 V C 0.266 176.183 176.094 -0.295 0.000 1.051 20 V CA -0.427 61.605 62.300 -0.447 0.000 1.010 20 V CB 0.850 32.069 31.823 -1.007 0.000 0.988 20 V HN 0.602 nan 8.190 nan 0.000 0.478 21 L N 4.093 125.165 121.223 -0.252 0.000 2.453 21 L HA 0.495 4.835 4.340 -0.001 0.000 0.272 21 L C 1.258 178.057 176.870 -0.118 0.000 1.182 21 L CA 1.825 56.574 54.840 -0.151 0.000 0.858 21 L CB 0.146 42.131 42.059 -0.123 0.000 1.120 21 L HN 1.012 nan 8.230 nan 0.000 0.474 22 G N 1.238 110.002 108.800 -0.061 0.000 2.179 22 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.220 22 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.220 22 G C 0.379 175.289 174.900 0.015 0.000 0.990 22 G CA 0.288 45.379 45.100 -0.014 0.000 0.646 22 G HN 0.884 nan 8.290 nan 0.000 0.517 23 T N -1.152 113.402 114.554 0.000 0.000 2.937 23 T HA 0.705 5.054 4.350 -0.001 0.000 0.283 23 T C -0.067 174.645 174.700 0.021 0.000 1.012 23 T CA -0.707 61.419 62.100 0.043 0.000 0.997 23 T CB 1.890 70.806 68.868 0.079 0.000 1.136 23 T HN 0.739 nan 8.240 nan 0.000 0.551 24 L N 2.979 124.223 121.223 0.035 0.000 2.283 24 L HA 0.413 4.752 4.340 -0.001 0.000 0.281 24 L C -0.548 176.337 176.870 0.026 0.000 1.033 24 L CA -0.271 54.584 54.840 0.025 0.000 0.848 24 L CB 0.530 42.605 42.059 0.028 0.000 1.226 24 L HN 0.906 nan 8.230 nan 0.000 0.429 25 T N 4.851 119.413 114.554 0.015 0.000 2.728 25 T HA 0.407 4.757 4.350 -0.001 0.000 0.296 25 T C 0.083 174.791 174.700 0.013 0.000 0.940 25 T CA -0.270 61.839 62.100 0.015 0.000 1.013 25 T CB 1.062 69.933 68.868 0.004 0.000 0.912 25 T HN 0.578 nan 8.240 nan 0.000 0.484 26 Q N 1.857 121.666 119.800 0.016 0.000 2.195 26 Q HA 0.771 5.110 4.340 -0.001 0.000 0.250 26 Q C -1.087 174.915 176.000 0.004 0.000 0.988 26 Q CA -1.079 54.731 55.803 0.012 0.000 0.911 26 Q CB 1.417 30.164 28.738 0.015 0.000 1.258 26 Q HN 0.356 nan 8.270 nan 0.000 0.475 27 L N 1.151 122.370 121.223 -0.007 0.000 2.439 27 L HA 0.340 4.679 4.340 -0.001 0.000 0.270 27 L C -1.783 175.059 176.870 -0.046 0.000 0.972 27 L CA -0.417 54.408 54.840 -0.025 0.000 0.836 27 L CB 1.950 43.988 42.059 -0.036 0.000 1.255 27 L HN 0.541 nan 8.230 nan 0.000 0.404 28 D N 4.580 124.957 120.400 -0.038 0.000 2.411 28 D HA 0.261 4.901 4.640 -0.001 0.000 0.225 28 D C 0.839 177.099 176.300 -0.066 0.000 1.156 28 D CA -0.264 53.710 54.000 -0.045 0.000 0.874 28 D CB 0.750 41.539 40.800 -0.019 0.000 1.034 28 D HN 0.356 nan 8.370 nan 0.000 0.502 29 I N 2.300 122.789 120.570 -0.136 0.000 2.385 29 I HA -0.122 4.048 4.170 -0.001 0.000 0.244 29 I C 2.477 178.572 176.117 -0.037 0.000 1.089 29 I CA 0.327 61.518 61.300 -0.182 0.000 1.410 29 I CB -1.372 36.265 38.000 -0.605 0.000 1.117 29 I HN 0.462 nan 8.210 nan 0.000 0.429 30 C N 0.804 120.068 119.300 -0.060 0.000 2.401 30 C HA -0.097 4.363 4.460 -0.001 0.000 0.286 30 C C 2.022 177.016 174.990 0.007 0.000 1.332 30 C CA 0.520 59.539 59.018 0.001 0.000 1.795 30 C CB -1.194 26.541 27.740 -0.008 0.000 1.922 30 C HN 0.384 nan 8.230 nan 0.000 0.520 31 S N 1.176 116.872 115.700 -0.005 0.000 3.919 31 S HA 0.321 4.791 4.470 -0.001 0.000 0.245 31 S C 0.335 174.917 174.600 -0.031 0.000 1.344 31 S CA -0.104 58.088 58.200 -0.014 0.000 0.896 31 S CB -0.498 62.696 63.200 -0.011 0.000 1.557 31 S HN 0.749 nan 8.310 nan 0.000 0.468 40 F N 0.080 119.604 119.950 -0.711 0.000 2.626 40 F HA 0.930 5.455 4.527 -0.002 0.000 0.311 40 F C -0.519 174.831 175.800 -0.750 0.000 1.088 40 F CA -0.687 56.834 58.000 -0.798 0.000 0.949 40 F CB 1.426 39.981 39.000 -0.742 0.000 1.322 40 F HN 0.516 nan 8.300 nan 0.000 0.461 41 S N 2.628 117.980 115.700 -0.580 0.000 2.570 41 S HA 0.799 5.268 4.470 -0.001 0.000 0.286 41 S C -1.649 172.791 174.600 -0.266 0.000 1.099 41 S CA -0.687 57.059 58.200 -0.755 0.000 0.913 41 S CB 1.429 64.190 63.200 -0.731 0.000 1.085 41 S HN 0.683 nan 8.310 nan 0.000 0.480 42 I N 3.772 124.180 120.570 -0.270 0.000 2.474 42 I HA 0.534 4.704 4.170 -0.001 0.000 0.294 42 I C -0.489 175.578 176.117 -0.083 0.000 1.005 42 I CA -0.538 60.713 61.300 -0.081 0.000 1.113 42 I CB 1.656 39.662 38.000 0.011 0.000 1.289 42 I HN 0.806 nan 8.210 nan 0.000 0.436 43 N N 4.482 123.150 118.700 -0.053 0.000 2.324 43 N HA 0.795 5.535 4.740 -0.001 0.000 0.285 43 N C -1.705 173.779 175.510 -0.043 0.000 1.076 43 N CA -0.342 52.683 53.050 -0.042 0.000 0.864 43 N CB 2.414 40.876 38.487 -0.041 0.000 1.632 43 N HN 0.792 nan 8.380 nan 0.000 0.478 44 A N 1.258 124.054 122.820 -0.040 0.000 2.604 44 A HA 0.657 4.976 4.320 -0.001 0.000 0.295 44 A C -0.608 176.947 177.584 -0.049 0.000 1.067 44 A CA -0.688 51.318 52.037 -0.053 0.000 0.683 44 A CB 0.475 19.446 19.000 -0.048 0.000 1.281 44 A HN 0.652 nan 8.150 nan 0.000 0.407 45 S N 2.002 117.664 115.700 -0.065 0.000 2.525 45 S HA 0.106 4.575 4.470 -0.001 0.000 0.282 45 S C -1.315 173.262 174.600 -0.039 0.000 1.324 45 S CA 0.405 58.572 58.200 -0.055 0.000 1.025 45 S CB -0.120 63.041 63.200 -0.066 0.000 0.820 45 S HN 0.682 nan 8.310 nan 0.000 0.514 46 P HA -0.022 nan 4.420 nan 0.000 0.221 46 P C 1.158 178.445 177.300 -0.023 0.000 1.150 46 P CA 1.341 64.427 63.100 -0.023 0.000 0.800 46 P CB -0.301 31.387 31.700 -0.020 0.000 0.787 47 G N -0.238 108.546 108.800 -0.028 0.000 2.985 47 G HA2 0.165 4.125 3.960 -0.001 0.000 0.209 47 G HA3 0.165 4.125 3.960 -0.001 0.000 0.209 47 G C 0.262 175.145 174.900 -0.030 0.000 1.165 47 G CA -0.000 45.083 45.100 -0.028 0.000 0.776 47 G HN 0.163 nan 8.290 nan 0.000 0.541 48 V N 2.010 121.906 119.914 -0.030 0.000 2.318 48 V HA 0.249 4.368 4.120 -0.001 0.000 0.271 48 V C -0.035 176.048 176.094 -0.018 0.000 1.030 48 V CA -0.871 61.413 62.300 -0.027 0.000 0.844 48 V CB 1.395 33.198 31.823 -0.033 0.000 1.015 48 V HN 0.002 nan 8.190 nan 0.000 0.460 49 V N 5.778 125.684 119.914 -0.014 0.000 2.427 49 V HA 0.194 4.313 4.120 -0.001 0.000 0.268 49 V C 0.357 176.451 176.094 0.000 0.000 1.046 49 V CA -0.350 61.946 62.300 -0.005 0.000 0.970 49 V CB 1.207 33.027 31.823 -0.005 0.000 1.001 49 V HN 0.630 nan 8.190 nan 0.000 0.476 50 V N 3.701 123.620 119.914 0.008 0.000 2.180 50 V HA 0.221 4.341 4.120 -0.001 0.000 0.265 50 V C 0.168 176.281 176.094 0.032 0.000 1.214 50 V CA -0.489 61.821 62.300 0.017 0.000 1.130 50 V CB 0.190 32.023 31.823 0.016 0.000 1.266 50 V HN 0.920 nan 8.190 nan 0.000 0.473 51 D N 2.398 122.815 120.400 0.028 0.000 2.341 51 D HA 0.585 5.224 4.640 -0.001 0.000 0.245 51 D C -0.402 175.929 176.300 0.051 0.000 1.106 51 D CA 0.006 54.028 54.000 0.037 0.000 0.905 51 D CB 1.302 42.117 40.800 0.025 0.000 1.202 51 D HN 0.577 nan 8.370 nan 0.000 0.426 52 I N 1.257 121.867 120.570 0.066 0.000 2.680 52 I HA 0.639 4.808 4.170 -0.001 0.000 0.291 52 I C -1.383 174.791 176.117 0.095 0.000 1.244 52 I CA -0.483 60.873 61.300 0.094 0.000 1.042 52 I CB 1.441 39.521 38.000 0.133 0.000 1.277 52 I HN 0.509 nan 8.210 nan 0.000 0.423 53 A N 6.140 129.022 122.820 0.102 0.000 2.869 53 A HA 0.651 4.970 4.320 -0.001 0.000 0.244 53 A C -0.632 177.078 177.584 0.211 0.000 1.374 53 A CA -0.422 51.674 52.037 0.099 0.000 0.913 53 A CB 0.534 19.575 19.000 0.069 0.000 1.589 53 A HN 0.901 nan 8.150 nan 0.000 0.485 67 T N -1.439 113.311 114.554 0.328 0.000 2.853 67 T HA 0.505 4.854 4.350 -0.001 0.000 0.311 67 T C -0.119 174.718 174.700 0.228 0.000 1.307 67 T CA -0.931 61.424 62.100 0.426 0.000 1.019 67 T CB 1.032 70.104 68.868 0.340 0.000 1.264 67 T HN 0.687 nan 8.240 nan 0.000 0.497 68 W N 0.136 121.250 121.300 -0.310 0.000 2.494 68 W HA 0.100 4.759 4.660 -0.002 0.000 0.286 68 W C -1.722 174.512 176.519 -0.474 0.000 1.218 68 W CA -0.294 56.767 57.345 -0.472 0.000 1.313 68 W CB -0.972 28.362 29.460 -0.210 0.000 1.105 68 W HN 0.449 nan 8.180 nan 0.000 0.561 69 P HA -0.139 nan 4.420 nan 0.000 0.273 69 P C 0.234 177.598 177.300 0.108 0.000 1.237 69 P CA 0.984 64.089 63.100 0.008 0.000 0.813 69 P CB 0.442 32.140 31.700 -0.003 0.000 0.930 70 L N 1.409 122.699 121.223 0.112 0.000 3.100 70 L HA 0.282 4.621 4.340 -0.001 0.000 0.259 70 L C -0.208 176.715 176.870 0.089 0.000 1.316 70 L CA -0.063 54.870 54.840 0.155 0.000 0.992 70 L CB -0.655 41.471 42.059 0.113 0.000 1.390 70 L HN 0.294 nan 8.230 nan 0.000 0.550 71 D N 1.007 121.456 120.400 0.082 0.000 2.256 71 D HA 0.280 4.919 4.640 -0.001 0.000 0.250 71 D C -1.297 175.028 176.300 0.043 0.000 1.093 71 D CA -1.466 52.560 54.000 0.043 0.000 0.882 71 D CB 1.769 42.579 40.800 0.016 0.000 1.185 71 D HN 0.111 nan 8.370 nan 0.000 0.437 72 P HA 0.028 nan 4.420 nan 0.000 0.229 72 P C 1.071 178.384 177.300 0.022 0.000 1.160 72 P CA 0.410 63.519 63.100 0.015 0.000 0.777 72 P CB 0.278 31.984 31.700 0.010 0.000 0.814 73 G N 0.324 109.140 108.800 0.027 0.000 2.744 73 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.211 73 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.211 73 G C 0.476 175.407 174.900 0.052 0.000 1.143 73 G CA -0.119 45.001 45.100 0.033 0.000 0.788 73 G HN 0.281 nan 8.290 nan 0.000 0.534 74 V N 1.131 121.084 119.914 0.066 0.000 2.509 74 V HA 0.127 4.246 4.120 -0.001 0.000 0.297 74 V C 0.154 176.301 176.094 0.087 0.000 1.014 74 V CA -0.193 62.172 62.300 0.108 0.000 1.127 74 V CB 0.830 32.759 31.823 0.177 0.000 0.925 74 V HN 0.428 nan 8.190 nan 0.000 0.480 75 E N 5.190 125.446 120.200 0.093 0.000 2.200 75 E HA 0.499 4.848 4.350 -0.001 0.000 0.283 75 E C -1.274 175.374 176.600 0.080 0.000 1.015 75 E CA -0.598 55.843 56.400 0.068 0.000 0.819 75 E CB 1.530 31.265 29.700 0.059 0.000 1.081 75 E HN 0.579 nan 8.360 nan 0.000 0.397 76 V N 4.345 124.291 119.914 0.052 0.000 2.407 76 V HA 0.336 4.455 4.120 -0.001 0.000 0.291 76 V C -0.281 175.829 176.094 0.027 0.000 1.018 76 V CA -0.784 61.546 62.300 0.050 0.000 0.842 76 V CB 1.521 33.362 31.823 0.030 0.000 0.996 76 V HN 0.817 nan 8.190 nan 0.000 0.426 77 T N 3.569 118.141 114.554 0.029 0.000 2.807 77 T HA 0.838 5.187 4.350 -0.001 0.000 0.279 77 T C -0.862 173.846 174.700 0.013 0.000 0.993 77 T CA -0.718 61.393 62.100 0.019 0.000 0.970 77 T CB 1.747 70.627 68.868 0.020 0.000 0.950 77 T HN 0.177 nan 8.240 nan 0.000 0.441 78 L N 2.785 124.011 121.223 0.005 0.000 2.325 78 L HA 0.798 5.137 4.340 -0.001 0.000 0.278 78 L C 0.638 177.504 176.870 -0.007 0.000 1.023 78 L CA -0.633 54.206 54.840 -0.003 0.000 0.811 78 L CB 1.619 43.672 42.059 -0.009 0.000 1.249 78 L HN 1.021 nan 8.230 nan 0.000 0.431 79 T N -0.472 114.075 114.554 -0.012 0.000 2.886 79 T HA 0.762 5.111 4.350 -0.001 0.000 0.292 79 T C -0.347 174.337 174.700 -0.026 0.000 1.012 79 T CA -0.714 61.374 62.100 -0.019 0.000 0.982 79 T CB 1.490 70.349 68.868 -0.015 0.000 1.018 79 T HN 0.307 nan 8.240 nan 0.000 0.451 80 M N 2.143 121.721 119.600 -0.037 0.000 2.314 80 M HA 0.461 4.940 4.480 -0.001 0.000 0.342 80 M C 1.252 177.528 176.300 -0.042 0.000 1.171 80 M CA -0.346 54.929 55.300 -0.043 0.000 1.098 80 M CB 1.375 33.941 32.600 -0.057 0.000 1.559 80 M HN 0.703 nan 8.290 nan 0.000 0.459 81 K N 1.150 121.528 120.400 -0.038 0.000 2.186 81 K HA 0.391 4.710 4.320 -0.001 0.000 0.202 81 K C -0.076 176.500 176.600 -0.039 0.000 1.052 81 K CA 0.556 56.823 56.287 -0.034 0.000 0.965 81 K CB 0.297 32.780 32.500 -0.027 0.000 0.746 81 K HN 0.688 nan 8.250 nan 0.000 0.457 82 A N 0.410 123.202 122.820 -0.046 0.000 2.610 82 A HA 0.645 4.964 4.320 -0.001 0.000 0.291 82 A C -1.501 176.042 177.584 -0.067 0.000 1.086 82 A CA -0.782 51.224 52.037 -0.052 0.000 0.677 82 A CB 0.996 19.973 19.000 -0.040 0.000 1.278 82 A HN 0.096 nan 8.150 nan 0.000 0.414 83 A N 1.141 123.915 122.820 -0.078 0.000 2.567 83 A HA 0.494 4.814 4.320 -0.001 0.000 0.240 83 A C 0.859 178.394 177.584 -0.082 0.000 1.053 83 A CA 0.683 52.659 52.037 -0.101 0.000 0.755 83 A CB -0.565 18.375 19.000 -0.099 0.000 0.978 83 A HN 1.282 nan 8.150 nan 0.000 0.507 84 S N 1.442 117.086 115.700 -0.092 0.000 2.569 84 S HA 0.279 4.748 4.470 -0.001 0.000 0.274 84 S C 1.627 176.201 174.600 -0.044 0.000 1.353 84 S CA 0.341 58.506 58.200 -0.059 0.000 1.023 84 S CB 0.943 64.112 63.200 -0.052 0.000 0.876 84 S HN 1.045 nan 8.310 nan 0.000 0.540 85 G N 0.102 108.893 108.800 -0.016 0.000 2.719 85 G HA2 0.179 4.138 3.960 -0.001 0.000 0.211 85 G HA3 0.179 4.138 3.960 -0.001 0.000 0.211 85 G C 0.931 175.843 174.900 0.020 0.000 1.140 85 G CA 0.117 45.218 45.100 0.000 0.000 0.790 85 G HN 0.575 nan 8.290 nan 0.000 0.529 86 S N -1.539 114.179 115.700 0.030 0.000 3.829 86 S HA 0.423 4.892 4.470 -0.001 0.000 0.201 86 S C 0.200 174.853 174.600 0.088 0.000 1.005 86 S CA 0.890 59.124 58.200 0.057 0.000 0.935 86 S CB 0.986 64.218 63.200 0.054 0.000 1.181 86 S HN 0.962 nan 8.310 nan 0.000 0.622 87 T N -1.988 112.622 114.554 0.094 0.000 3.087 87 T HA 0.409 4.758 4.350 -0.001 0.000 0.356 87 T C 0.425 175.208 174.700 0.139 0.000 1.822 87 T CA 0.340 62.519 62.100 0.132 0.000 1.046 87 T CB 0.073 69.043 68.868 0.170 0.000 1.850 87 T HN 1.496 nan 8.240 nan 0.000 0.520 88 G N 1.828 110.726 108.800 0.163 0.000 2.244 88 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.274 88 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.274 88 G C 0.445 175.396 174.900 0.086 0.000 1.002 88 G CA 1.315 46.528 45.100 0.189 0.000 0.740 88 G HN 1.114 nan 8.290 nan 0.000 0.516 89 D N -0.273 120.154 120.400 0.046 0.000 2.144 89 D HA 0.064 4.703 4.640 -0.001 0.000 0.199 89 D C 1.502 177.785 176.300 -0.028 0.000 0.984 89 D CA 1.218 55.224 54.000 0.010 0.000 0.834 89 D CB 0.081 40.882 40.800 0.001 0.000 0.955 89 D HN 0.476 nan 8.370 nan 0.000 0.465 90 Q N 0.070 119.846 119.800 -0.039 0.000 2.235 90 Q HA 0.540 4.879 4.340 -0.001 0.000 0.256 90 Q C -0.542 175.383 176.000 -0.126 0.000 0.951 90 Q CA -0.252 55.508 55.803 -0.071 0.000 0.890 90 Q CB 1.855 30.562 28.738 -0.052 0.000 1.279 90 Q HN -0.063 nan 8.270 nan 0.000 0.444 91 K N 0.181 120.479 120.400 -0.169 0.000 2.482 91 K HA 0.813 5.132 4.320 -0.001 0.000 0.257 91 K C -1.390 175.100 176.600 -0.183 0.000 0.969 91 K CA -0.939 55.177 56.287 -0.285 0.000 0.842 91 K CB 2.353 34.609 32.500 -0.406 0.000 1.359 91 K HN 0.286 nan 8.250 nan 0.000 0.441 92 V N 1.579 121.386 119.914 -0.178 0.000 2.711 92 V HA 0.256 4.375 4.120 -0.001 0.000 0.304 92 V C -1.160 174.883 176.094 -0.085 0.000 1.097 92 V CA -0.838 61.402 62.300 -0.101 0.000 0.906 92 V CB 1.823 33.608 31.823 -0.063 0.000 1.015 92 V HN 0.714 nan 8.190 nan 0.000 0.427 93 Q N 4.612 124.374 119.800 -0.063 0.000 2.333 93 Q HA 0.625 4.964 4.340 -0.001 0.000 0.268 93 Q C -1.539 174.449 176.000 -0.020 0.000 1.007 93 Q CA -0.700 55.084 55.803 -0.031 0.000 0.810 93 Q CB 1.662 30.381 28.738 -0.032 0.000 1.264 93 Q HN 0.678 nan 8.270 nan 0.000 0.452 94 I N 2.296 122.869 120.570 0.005 0.000 2.378 94 I HA 0.330 4.499 4.170 -0.001 0.000 0.291 94 I C -0.294 175.822 176.117 -0.002 0.000 0.992 94 I CA -0.627 60.643 61.300 -0.051 0.000 1.154 94 I CB 1.402 39.331 38.000 -0.118 0.000 1.315 94 I HN 0.478 nan 8.210 nan 0.000 0.448 95 S N 6.096 121.766 115.700 -0.051 0.000 2.461 95 S HA 0.475 4.944 4.470 -0.001 0.000 0.322 95 S C -0.609 174.018 174.600 0.045 0.000 1.063 95 S CA -0.357 57.897 58.200 0.089 0.000 1.120 95 S CB 0.056 63.335 63.200 0.133 0.000 0.968 95 S HN 0.282 nan 8.310 nan 0.000 0.467 96 Y N 4.234 124.586 120.300 0.087 0.000 2.359 96 Y HA 0.433 4.982 4.550 -0.001 0.000 0.334 96 Y C 0.240 176.216 175.900 0.126 0.000 1.058 96 Y CA -0.175 57.949 58.100 0.040 0.000 1.244 96 Y CB 0.286 38.758 38.460 0.019 0.000 1.187 96 Y HN 0.705 nan 8.280 nan 0.000 0.510 97 Y N 0.228 120.630 120.300 0.170 0.000 2.677 97 Y HA 0.889 5.438 4.550 -0.001 0.000 0.334 97 Y C -0.199 175.755 175.900 0.089 0.000 1.196 97 Y CA -0.870 57.290 58.100 0.100 0.000 1.059 97 Y CB 1.302 39.795 38.460 0.056 0.000 1.315 97 Y HN 0.698 nan 8.280 nan 0.000 0.455 98 G N 0.185 109.180 108.800 0.324 0.000 2.563 98 G HA2 0.260 4.220 3.960 -0.001 0.000 0.068 98 G HA3 0.260 4.220 3.960 -0.001 0.000 0.068 98 G C -2.193 172.804 174.900 0.162 0.000 1.001 98 G CA 0.220 45.446 45.100 0.210 0.000 1.188 98 G HN 0.582 nan 8.290 nan 0.000 0.512 99 P HA -0.134 nan 4.420 nan 0.000 0.217 99 P C 0.189 177.534 177.300 0.076 0.000 0.937 99 P CA 1.966 65.113 63.100 0.079 0.000 1.028 99 P CB 0.039 31.775 31.700 0.061 0.000 0.735 100 K N -1.500 118.942 120.400 0.071 0.000 3.429 100 K HA 0.277 4.596 4.320 -0.001 0.000 0.166 100 K C -0.615 176.019 176.600 0.055 0.000 1.079 100 K CA 0.045 56.367 56.287 0.057 0.000 0.750 100 K CB 0.723 33.248 32.500 0.041 0.000 0.883 100 K HN 0.374 nan 8.250 nan 0.000 0.549 101 T N -2.880 111.719 114.554 0.074 0.000 2.923 101 T HA 0.426 4.775 4.350 -0.001 0.000 0.311 101 T C -2.451 172.301 174.700 0.088 0.000 1.183 101 T CA -1.318 60.825 62.100 0.072 0.000 1.020 101 T CB 2.286 71.197 68.868 0.072 0.000 1.165 101 T HN -0.233 nan 8.240 nan 0.000 0.482 102 P HA 0.170 nan 4.420 nan 0.000 0.233 102 P C -1.570 175.791 177.300 0.101 0.000 1.167 102 P CA -0.073 63.068 63.100 0.068 0.000 0.770 102 P CB -1.182 30.543 31.700 0.041 0.000 0.837 103 P HA -0.214 nan 4.420 nan 0.000 0.247 103 P C 0.154 177.503 177.300 0.082 0.000 0.823 103 P CA 1.247 64.398 63.100 0.085 0.000 1.117 103 P CB -0.597 31.159 31.700 0.093 0.000 0.754 104 V N -2.042 117.932 119.914 0.100 0.000 2.815 104 V HA 0.368 4.487 4.120 -0.001 0.000 0.314 104 V C 0.037 176.233 176.094 0.169 0.000 1.064 104 V CA -0.724 61.627 62.300 0.084 0.000 0.952 104 V CB 1.924 33.747 31.823 -0.001 0.000 1.020 104 V HN 0.063 nan 8.190 nan 0.000 0.439 105 K N 2.028 122.505 120.400 0.129 0.000 2.293 105 K HA 0.720 5.039 4.320 -0.001 0.000 0.267 105 K C -0.318 176.361 176.600 0.131 0.000 1.010 105 K CA -0.225 56.149 56.287 0.144 0.000 0.875 105 K CB 1.718 34.271 32.500 0.088 0.000 1.106 105 K HN 0.903 nan 8.250 nan 0.000 0.450 106 A N 3.869 126.804 122.820 0.191 0.000 2.328 106 A HA 0.467 4.786 4.320 -0.001 0.000 0.284 106 A C -0.774 176.872 177.584 0.104 0.000 1.160 106 A CA -0.579 51.544 52.037 0.143 0.000 0.818 106 A CB 0.094 19.215 19.000 0.202 0.000 1.087 106 A HN 0.465 nan 8.150 nan 0.000 0.504 107 L N 2.304 123.586 121.223 0.099 0.000 2.325 107 L HA 0.756 5.095 4.340 -0.001 0.000 0.278 107 L C -0.400 176.547 176.870 0.128 0.000 1.023 107 L CA -0.733 54.168 54.840 0.101 0.000 0.811 107 L CB 1.053 43.227 42.059 0.191 0.000 1.249 107 L HN 0.606 nan 8.230 nan 0.000 0.431 108 L N 2.821 124.078 121.223 0.058 0.000 2.470 108 L HA 0.573 4.912 4.340 -0.001 0.000 0.268 108 L C -1.826 175.048 176.870 0.006 0.000 0.964 108 L CA -0.218 54.668 54.840 0.077 0.000 0.839 108 L CB 1.562 43.634 42.059 0.022 0.000 1.276 108 L HN 0.359 nan 8.230 nan 0.000 0.403 109 Y N 5.976 126.157 120.300 -0.199 0.000 2.402 109 Y HA 0.587 5.137 4.550 -0.001 0.000 0.332 109 Y C -0.607 175.238 175.900 -0.092 0.000 0.960 109 Y CA -1.098 56.885 58.100 -0.195 0.000 1.228 109 Y CB 1.167 39.400 38.460 -0.378 0.000 1.120 109 Y HN 0.313 nan 8.280 nan 0.000 0.491 110 L N 3.362 124.612 121.223 0.045 0.000 2.312 110 L HA 0.495 4.835 4.340 -0.001 0.000 0.281 110 L C 0.422 177.321 176.870 0.048 0.000 1.070 110 L CA -0.436 54.429 54.840 0.042 0.000 0.805 110 L CB 1.245 43.303 42.059 -0.002 0.000 1.174 110 L HN 0.508 nan 8.230 nan 0.000 0.434 111 T N 2.325 116.915 114.554 0.059 0.000 2.797 111 T HA 0.712 5.061 4.350 -0.001 0.000 0.279 111 T C -0.008 174.660 174.700 -0.054 0.000 0.991 111 T CA -0.531 61.586 62.100 0.029 0.000 0.979 111 T CB 1.603 70.534 68.868 0.106 0.000 0.943 111 T HN 0.685 nan 8.240 nan 0.000 0.444 112 A N 3.119 125.878 122.820 -0.101 0.000 2.276 112 A HA 0.761 5.081 4.320 -0.001 0.000 0.316 112 A C 0.162 177.596 177.584 -0.250 0.000 1.229 112 A CA -0.667 51.279 52.037 -0.152 0.000 0.851 112 A CB 0.238 19.171 19.000 -0.113 0.000 1.165 112 A HN 0.860 nan 8.150 nan 0.000 0.513 113 V N 0.315 120.034 119.914 -0.325 0.000 2.960 113 V HA 0.759 4.878 4.120 -0.001 0.000 0.315 113 V C -0.330 175.584 176.094 -0.299 0.000 1.087 113 V CA -0.853 61.202 62.300 -0.408 0.000 0.982 113 V CB 1.705 33.119 31.823 -0.682 0.000 1.039 113 V HN 0.934 nan 8.190 nan 0.000 0.437 114 E N 2.082 122.143 120.200 -0.232 0.000 2.129 114 E HA 0.646 4.995 4.350 -0.001 0.000 0.268 114 E C -1.454 175.085 176.600 -0.102 0.000 0.900 114 E CA -0.699 55.607 56.400 -0.157 0.000 0.755 114 E CB 1.505 31.147 29.700 -0.096 0.000 1.117 114 E HN 0.793 nan 8.360 nan 0.000 0.410 115 I N 4.023 124.535 120.570 -0.097 0.000 2.493 115 I HA 0.194 4.363 4.170 -0.001 0.000 0.279 115 I C -0.990 175.215 176.117 0.146 0.000 1.045 115 I CA -0.529 60.807 61.300 0.059 0.000 1.106 115 I CB 1.871 39.936 38.000 0.108 0.000 1.216 115 I HN 0.370 nan 8.210 nan 0.000 0.459 116 S N 6.979 122.751 115.700 0.120 0.000 2.594 116 S HA 0.427 4.896 4.470 -0.001 0.000 0.322 116 S C -0.336 174.320 174.600 0.094 0.000 1.085 116 S CA -0.499 57.764 58.200 0.105 0.000 1.116 116 S CB 1.435 64.666 63.200 0.051 0.000 0.979 116 S HN 0.455 nan 8.310 nan 0.000 0.465 117 L N 4.871 126.145 121.223 0.086 0.000 2.325 117 L HA 0.471 4.810 4.340 -0.001 0.000 0.284 117 L C -0.380 176.487 176.870 -0.005 0.000 1.089 117 L CA -0.232 54.628 54.840 0.033 0.000 0.836 117 L CB -0.096 41.955 42.059 -0.014 0.000 1.184 117 L HN 0.954 nan 8.230 nan 0.000 0.444 118 C N 2.990 122.289 119.300 -0.003 0.000 2.880 118 C HA 0.942 5.401 4.460 -0.001 0.000 0.320 118 C C -0.008 174.960 174.990 -0.037 0.000 1.176 118 C CA -0.626 58.370 59.018 -0.037 0.000 1.390 118 C CB 0.728 28.452 27.740 -0.027 0.000 1.846 118 C HN 0.939 nan 8.230 nan 0.000 0.478 119 A N 1.088 123.858 122.820 -0.083 0.000 2.726 119 A HA 0.818 5.137 4.320 -0.001 0.000 0.248 119 A C -0.622 176.910 177.584 -0.087 0.000 1.249 119 A CA -0.091 51.906 52.037 -0.066 0.000 0.846 119 A CB 0.662 19.578 19.000 -0.140 0.000 1.391 119 A HN 0.901 nan 8.150 nan 0.000 0.497 120 D N 1.438 121.794 120.400 -0.073 0.000 2.558 120 D HA 0.113 4.752 4.640 -0.001 0.000 0.221 120 D C 1.095 177.297 176.300 -0.164 0.000 1.143 120 D CA -0.332 53.611 54.000 -0.095 0.000 1.010 120 D CB -0.154 40.610 40.800 -0.059 0.000 1.068 120 D HN 0.438 nan 8.370 nan 0.000 0.511 121 I N 0.851 121.308 120.570 -0.188 0.000 3.564 121 I HA 0.027 4.196 4.170 -0.001 0.000 0.294 121 I C 0.488 176.439 176.117 -0.276 0.000 1.289 121 I CA 0.498 61.648 61.300 -0.250 0.000 1.325 121 I CB -1.030 36.827 38.000 -0.237 0.000 1.039 121 I HN 0.176 nan 8.210 nan 0.000 0.474 122 T N -1.373 113.046 114.554 -0.224 0.000 3.355 122 T HA 0.398 4.747 4.350 -0.001 0.000 0.276 122 T C 0.451 175.022 174.700 -0.216 0.000 1.003 122 T CA -0.629 61.342 62.100 -0.214 0.000 0.943 122 T CB -0.200 68.582 68.868 -0.143 0.000 1.158 122 T HN 0.290 nan 8.240 nan 0.000 0.513 123 R N -0.105 120.204 120.500 -0.319 0.000 3.460 123 R HA -0.148 4.191 4.340 -0.001 0.000 0.254 123 R C 0.824 177.018 176.300 -0.176 0.000 1.028 123 R CA 1.224 57.060 56.100 -0.440 0.000 0.688 123 R CB -3.015 26.760 30.300 -0.876 0.000 1.062 123 R HN 0.565 nan 8.270 nan 0.000 0.463 124 T N -2.136 112.361 114.554 -0.096 0.000 3.252 124 T HA 0.404 4.753 4.350 -0.001 0.000 0.286 124 T C 1.315 176.016 174.700 0.002 0.000 1.013 124 T CA 0.533 62.621 62.100 -0.020 0.000 0.914 124 T CB 0.113 68.963 68.868 -0.031 0.000 1.131 124 T HN 0.749 nan 8.240 nan 0.000 0.529 125 G N 1.946 110.753 108.800 0.012 0.000 2.186 125 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.266 125 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.266 125 G C -0.014 174.897 174.900 0.017 0.000 0.982 125 G CA 0.760 45.887 45.100 0.044 0.000 0.670 125 G HN 0.717 nan 8.290 nan 0.000 0.533 126 K N 0.552 120.946 120.400 -0.010 0.000 2.502 126 K HA 0.563 4.882 4.320 -0.001 0.000 0.254 126 K C 0.325 176.905 176.600 -0.034 0.000 0.947 126 K CA -0.490 55.787 56.287 -0.018 0.000 0.834 126 K CB 1.739 34.228 32.500 -0.018 0.000 1.112 126 K HN 0.709 nan 8.250 nan 0.000 0.427 127 V N 2.059 121.954 119.914 -0.031 0.000 2.421 127 V HA 0.374 4.493 4.120 -0.001 0.000 0.271 127 V C -0.188 175.883 176.094 -0.037 0.000 1.031 127 V CA -0.090 62.188 62.300 -0.037 0.000 1.032 127 V CB -0.321 31.483 31.823 -0.032 0.000 1.009 127 V HN 0.627 nan 8.190 nan 0.000 0.477 137 R N -0.054 120.402 120.500 -0.073 0.000 3.875 137 R HA -0.197 4.142 4.340 -0.001 0.000 0.321 137 R C -1.285 174.996 176.300 -0.032 0.000 1.196 137 R CA 1.715 57.777 56.100 -0.063 0.000 0.868 137 R CB -2.053 28.213 30.300 -0.056 0.000 1.333 137 R HN 0.872 nan 8.270 nan 0.000 0.522 138 T N -3.706 110.832 114.554 -0.027 0.000 2.906 138 T HA 0.507 4.856 4.350 -0.001 0.000 0.295 138 T C -0.817 173.893 174.700 0.016 0.000 1.061 138 T CA -0.719 61.395 62.100 0.025 0.000 1.000 138 T CB 1.454 70.344 68.868 0.037 0.000 1.103 138 T HN 0.366 nan 8.240 nan 0.000 0.486 139 W N 3.590 124.840 121.300 -0.084 0.000 2.331 139 W HA 0.514 5.174 4.660 -0.001 0.000 0.306 139 W C -0.031 176.427 176.519 -0.103 0.000 1.162 139 W CA -0.103 57.162 57.345 -0.133 0.000 1.232 139 W CB 0.909 30.274 29.460 -0.158 0.000 1.235 139 W HN 1.004 nan 8.180 nan 0.000 0.479 140 T N 2.151 116.475 114.554 -0.383 0.000 2.861 140 T HA 0.424 4.774 4.350 -0.001 0.000 0.287 140 T C -0.855 173.592 174.700 -0.420 0.000 1.003 140 T CA -0.784 61.224 62.100 -0.153 0.000 0.977 140 T CB 0.744 69.553 68.868 -0.097 0.000 0.996 140 T HN 0.369 nan 8.240 nan 0.000 0.448 141 W N 1.488 122.803 121.300 0.025 0.000 2.202 141 W HA 0.583 5.241 4.660 -0.003 0.000 0.332 141 W C 1.122 177.633 176.519 -0.012 0.000 1.263 141 W CA 1.328 58.742 57.345 0.114 0.000 1.223 141 W CB 0.666 30.312 29.460 0.310 0.000 1.128 141 W HN 1.396 nan 8.180 nan 0.000 0.573 142 G N 1.846 110.798 108.800 0.254 0.000 2.354 142 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.582 142 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.582 142 G C -2.483 172.453 174.900 0.060 0.000 1.316 142 G CA -0.670 44.529 45.100 0.166 0.000 0.995 142 G HN 0.224 nan 8.290 nan 0.000 0.573 143 P HA 0.188 nan 4.420 nan 0.000 0.236 143 P C 0.850 178.130 177.300 -0.033 0.000 1.177 143 P CA 1.050 64.140 63.100 -0.018 0.000 0.773 143 P CB 0.135 31.817 31.700 -0.029 0.000 0.878 144 C N -0.436 118.844 119.300 -0.034 0.000 2.778 144 C HA 0.618 5.077 4.460 -0.001 0.000 0.252 144 C C 1.202 176.141 174.990 -0.086 0.000 1.693 144 C CA -0.719 58.265 59.018 -0.056 0.000 1.724 144 C CB -0.083 27.635 27.740 -0.038 0.000 3.153 144 C HN 0.151 nan 8.230 nan 0.000 0.493 145 G N 0.168 108.890 108.800 -0.131 0.000 2.552 145 G HA2 0.627 4.586 3.960 -0.001 0.000 0.318 145 G HA3 0.627 4.586 3.960 -0.001 0.000 0.318 145 G C -1.135 173.567 174.900 -0.329 0.000 1.240 145 G CA -0.103 44.863 45.100 -0.223 0.000 1.002 145 G HN 0.412 nan 8.290 nan 0.000 0.493 146 Q N -0.991 118.540 119.800 -0.450 0.000 2.323 146 Q HA 0.577 4.916 4.340 -0.001 0.000 0.271 146 Q C -0.760 174.768 176.000 -0.786 0.000 1.048 146 Q CA -0.724 54.791 55.803 -0.480 0.000 0.792 146 Q CB 2.523 31.076 28.738 -0.308 0.000 1.280 146 Q HN 0.973 nan 8.270 nan 0.000 0.441 147 G N 0.723 109.034 108.800 -0.814 0.000 2.299 147 G HA2 0.448 4.408 3.960 -0.001 0.000 0.312 147 G HA3 0.448 4.408 3.960 -0.001 0.000 0.312 147 G C -1.175 173.533 174.900 -0.319 0.000 1.654 147 G CA -0.321 44.285 45.100 -0.824 0.000 0.912 147 G HN 0.655 nan 8.290 nan 0.000 0.667 148 A N 1.217 123.942 122.820 -0.159 0.000 2.386 148 A HA 0.771 5.090 4.320 -0.001 0.000 0.246 148 A C 0.135 177.899 177.584 0.300 0.000 1.089 148 A CA 0.105 52.123 52.037 -0.031 0.000 0.790 148 A CB 0.315 19.207 19.000 -0.180 0.000 1.042 148 A HN 0.935 nan 8.150 nan 0.000 0.497 149 I N 0.452 121.180 120.570 0.264 0.000 2.465 149 I HA 0.362 4.531 4.170 -0.001 0.000 0.291 149 I C -0.648 175.653 176.117 0.307 0.000 1.014 149 I CA -0.052 61.415 61.300 0.279 0.000 1.093 149 I CB 1.739 39.777 38.000 0.064 0.000 1.267 149 I HN 0.466 nan 8.210 nan 0.000 0.431 150 L N 6.430 127.791 121.223 0.230 0.000 2.334 150 L HA 0.579 4.918 4.340 -0.001 0.000 0.276 150 L C -0.763 176.149 176.870 0.071 0.000 1.014 150 L CA -0.827 54.069 54.840 0.093 0.000 0.815 150 L CB 1.677 43.700 42.059 -0.060 0.000 1.268 150 L HN 0.364 nan 8.230 nan 0.000 0.428 151 L N 2.946 124.205 121.223 0.061 0.000 2.312 151 L HA 0.443 4.782 4.340 -0.001 0.000 0.281 151 L C 0.104 176.918 176.870 -0.093 0.000 1.070 151 L CA -0.855 53.984 54.840 -0.001 0.000 0.805 151 L CB 1.618 43.709 42.059 0.053 0.000 1.174 151 L HN 0.274 nan 8.230 nan 0.000 0.434 152 V N 1.971 121.731 119.914 -0.257 0.000 3.096 152 V HA -0.001 4.118 4.120 -0.001 0.000 0.306 152 V C 0.468 176.488 176.094 -0.124 0.000 1.088 152 V CA -0.347 61.773 62.300 -0.299 0.000 1.129 152 V CB 1.056 32.440 31.823 -0.733 0.000 1.014 152 V HN 0.771 nan 8.190 nan 0.000 0.486 153 N N 1.510 120.175 118.700 -0.058 0.000 2.425 153 N HA 0.278 5.017 4.740 -0.001 0.000 0.268 153 N C -1.271 174.274 175.510 0.059 0.000 0.991 153 N CA -0.292 52.765 53.050 0.011 0.000 0.931 153 N CB 1.124 39.621 38.487 0.017 0.000 1.130 153 N HN 0.691 nan 8.380 nan 0.000 0.493 154 C N 2.840 122.200 119.300 0.099 0.000 2.301 154 C HA 0.554 5.013 4.460 -0.001 0.000 0.323 154 C C -0.738 174.356 174.990 0.173 0.000 1.265 154 C CA -0.765 58.351 59.018 0.163 0.000 1.503 154 C CB 0.110 27.974 27.740 0.207 0.000 2.195 154 C HN 0.598 nan 8.230 nan 0.000 0.477 155 D N 1.855 122.354 120.400 0.166 0.000 2.548 155 D HA 0.298 4.937 4.640 -0.001 0.000 0.214 155 D C -0.287 176.047 176.300 0.057 0.000 1.345 155 D CA -0.447 53.630 54.000 0.128 0.000 0.945 155 D CB 1.242 42.088 40.800 0.076 0.000 1.499 155 D HN 0.624 nan 8.370 nan 0.000 0.579 156 R N 1.093 121.591 120.500 -0.004 0.000 2.571 156 R HA 0.834 5.173 4.340 -0.001 0.000 0.259 156 R C -0.511 175.747 176.300 -0.070 0.000 1.226 156 R CA -0.294 55.722 56.100 -0.141 0.000 1.157 156 R CB 0.443 30.506 30.300 -0.394 0.000 1.220 156 R HN 0.179 nan 8.270 nan 0.000 0.605 173 D N -0.959 119.380 120.400 -0.102 0.000 2.784 173 D HA 0.390 5.029 4.640 -0.001 0.000 0.256 173 D C 0.880 177.072 176.300 -0.181 0.000 1.129 173 D CA 0.351 54.281 54.000 -0.118 0.000 1.102 173 D CB 1.286 42.046 40.800 -0.066 0.000 1.330 173 D HN 0.547 nan 8.370 nan 0.000 0.626 174 S N 0.044 115.645 115.700 -0.166 0.000 2.423 174 S HA -0.273 4.197 4.470 -0.001 0.000 0.238 174 S C 1.528 176.043 174.600 -0.141 0.000 1.028 174 S CA 1.533 59.626 58.200 -0.179 0.000 1.000 174 S CB -0.394 62.741 63.200 -0.108 0.000 0.797 174 S HN 0.591 nan 8.310 nan 0.000 0.487 175 E N 2.161 122.297 120.200 -0.106 0.000 2.301 175 E HA -0.277 4.073 4.350 -0.001 0.000 0.202 175 E C 0.783 177.326 176.600 -0.095 0.000 1.017 175 E CA 2.086 58.437 56.400 -0.081 0.000 0.831 175 E CB -0.490 29.172 29.700 -0.062 0.000 0.742 175 E HN 0.672 nan 8.360 nan 0.000 0.491 176 D N -1.614 118.697 120.400 -0.148 0.000 2.516 176 D HA 0.205 4.844 4.640 -0.001 0.000 0.241 176 D C 1.060 177.225 176.300 -0.224 0.000 1.246 176 D CA -0.091 53.811 54.000 -0.162 0.000 0.808 176 D CB 0.300 40.995 40.800 -0.176 0.000 1.147 176 D HN 0.164 nan 8.370 nan 0.000 0.527 177 L N 0.255 121.310 121.223 -0.280 0.000 2.664 177 L HA 0.266 4.605 4.340 -0.001 0.000 0.233 177 L C 2.044 178.788 176.870 -0.211 0.000 1.113 177 L CA 0.041 54.654 54.840 -0.378 0.000 0.896 177 L CB 0.148 41.740 42.059 -0.777 0.000 1.163 177 L HN 0.037 nan 8.230 nan 0.000 0.497 178 Q N 1.280 121.012 119.800 -0.113 0.000 2.173 178 Q HA -0.283 4.056 4.340 -0.001 0.000 0.208 178 Q C 1.184 177.236 176.000 0.087 0.000 0.989 178 Q CA 2.484 58.284 55.803 -0.005 0.000 0.872 178 Q CB 0.097 28.839 28.738 0.007 0.000 0.909 178 Q HN 0.512 nan 8.270 nan 0.000 0.420 179 D N -0.487 119.949 120.400 0.059 0.000 2.183 179 D HA -0.045 4.594 4.640 -0.001 0.000 0.203 179 D C 0.411 176.862 176.300 0.251 0.000 0.969 179 D CA 0.828 54.908 54.000 0.134 0.000 0.842 179 D CB 0.159 40.993 40.800 0.057 0.000 0.957 179 D HN 0.282 nan 8.370 nan 0.000 0.484 180 M N -0.244 119.424 119.600 0.114 0.000 2.159 180 M HA 0.235 4.714 4.480 -0.001 0.000 0.293 180 M C 0.192 176.474 176.300 -0.029 0.000 1.186 180 M CA -0.212 55.145 55.300 0.095 0.000 1.073 180 M CB 1.098 33.720 32.600 0.036 0.000 1.419 180 M HN -0.307 nan 8.290 nan 0.000 0.490 181 S N 1.154 116.821 115.700 -0.055 0.000 2.442 181 S HA 0.486 4.955 4.470 -0.001 0.000 0.297 181 S C -0.967 173.595 174.600 -0.064 0.000 1.131 181 S CA -0.736 57.349 58.200 -0.192 0.000 1.092 181 S CB 0.753 63.895 63.200 -0.097 0.000 0.998 181 S HN 0.430 nan 8.310 nan 0.000 0.478 182 L N 5.782 126.950 121.223 -0.091 0.000 2.305 182 L HA 0.630 4.969 4.340 -0.001 0.000 0.281 182 L C -0.431 176.402 176.870 -0.063 0.000 1.085 182 L CA 0.315 55.065 54.840 -0.149 0.000 0.813 182 L CB 0.715 42.707 42.059 -0.112 0.000 1.157 182 L HN 0.758 nan 8.230 nan 0.000 0.436 183 M N 4.957 124.519 119.600 -0.063 0.000 2.393 183 M HA 0.451 4.930 4.480 -0.001 0.000 0.299 183 M C -1.262 175.110 176.300 0.121 0.000 1.103 183 M CA -0.292 55.054 55.300 0.076 0.000 0.910 183 M CB 2.024 34.738 32.600 0.190 0.000 1.659 183 M HN 0.682 nan 8.290 nan 0.000 0.445 184 T N 5.007 119.619 114.554 0.096 0.000 2.812 184 T HA 0.467 4.816 4.350 -0.001 0.000 0.282 184 T C -1.231 173.560 174.700 0.152 0.000 0.990 184 T CA -0.700 61.468 62.100 0.114 0.000 0.960 184 T CB 1.061 69.926 68.868 -0.005 0.000 0.948 184 T HN 0.760 nan 8.240 nan 0.000 0.438 185 L N 4.253 125.639 121.223 0.271 0.000 2.305 185 L HA 0.576 4.915 4.340 -0.001 0.000 0.281 185 L C -0.304 176.630 176.870 0.106 0.000 1.085 185 L CA -0.148 54.822 54.840 0.216 0.000 0.813 185 L CB 1.336 43.603 42.059 0.346 0.000 1.157 185 L HN 0.702 nan 8.230 nan 0.000 0.436 186 S N 1.811 117.563 115.700 0.087 0.000 2.521 186 S HA 0.693 5.162 4.470 -0.001 0.000 0.295 186 S C -0.574 174.078 174.600 0.086 0.000 1.098 186 S CA -0.593 57.637 58.200 0.049 0.000 0.999 186 S CB 2.100 65.312 63.200 0.020 0.000 1.034 186 S HN 0.723 nan 8.310 nan 0.000 0.483 187 T N -0.131 114.484 114.554 0.102 0.000 2.912 187 T HA 0.682 5.031 4.350 -0.001 0.000 0.299 187 T C -1.178 173.574 174.700 0.086 0.000 1.052 187 T CA -0.961 61.212 62.100 0.123 0.000 0.996 187 T CB 1.790 70.806 68.868 0.247 0.000 1.070 187 T HN 0.501 nan 8.240 nan 0.000 0.465 188 K N 1.869 122.278 120.400 0.014 0.000 2.507 188 K HA 0.631 4.950 4.320 -0.001 0.000 0.252 188 K C -1.193 175.337 176.600 -0.117 0.000 0.943 188 K CA -0.457 55.821 56.287 -0.015 0.000 0.808 188 K CB 1.594 34.078 32.500 -0.027 0.000 1.142 188 K HN 1.046 nan 8.250 nan 0.000 0.426 189 T N 0.654 115.139 114.554 -0.115 0.000 2.868 189 T HA 0.517 4.866 4.350 -0.001 0.000 0.306 189 T C -3.018 171.613 174.700 -0.116 0.000 1.224 189 T CA -1.914 60.001 62.100 -0.308 0.000 1.012 189 T CB 1.634 70.172 68.868 -0.550 0.000 1.221 189 T HN 0.331 nan 8.240 nan 0.000 0.499 190 P HA 0.193 nan 4.420 nan 0.000 0.268 190 P C 0.575 177.941 177.300 0.110 0.000 1.204 190 P CA -0.276 62.839 63.100 0.024 0.000 0.768 190 P CB 0.759 32.487 31.700 0.048 0.000 0.842 191 K N 1.799 122.259 120.400 0.101 0.000 2.144 191 K HA -0.232 4.088 4.320 -0.001 0.000 0.209 191 K C 1.463 178.152 176.600 0.148 0.000 1.047 191 K CA 1.968 58.328 56.287 0.121 0.000 0.927 191 K CB -0.426 32.124 32.500 0.083 0.000 0.716 191 K HN 0.587 nan 8.250 nan 0.000 0.454 192 D N 0.273 120.752 120.400 0.133 0.000 2.352 192 D HA -0.111 4.528 4.640 -0.001 0.000 0.232 192 D C 1.295 177.676 176.300 0.136 0.000 1.055 192 D CA 0.119 54.188 54.000 0.116 0.000 0.891 192 D CB 0.005 40.855 40.800 0.084 0.000 0.897 192 D HN 0.236 nan 8.370 nan 0.000 0.529 193 F N -0.056 119.894 119.950 -0.000 0.000 2.163 193 F HA 0.017 4.543 4.527 -0.001 0.000 0.297 193 F C 1.155 176.867 175.800 -0.147 0.000 1.094 193 F CA 0.939 58.867 58.000 -0.120 0.000 1.290 193 F CB -0.053 38.759 39.000 -0.314 0.000 1.017 193 F HN -0.154 nan 8.300 nan 0.000 0.483 194 F N 0.297 120.287 119.950 0.068 0.000 2.663 194 F HA 0.065 4.591 4.527 -0.002 0.000 0.299 194 F C 2.035 177.790 175.800 -0.075 0.000 1.143 194 F CA 0.429 58.415 58.000 -0.023 0.000 1.387 194 F CB -0.487 38.575 39.000 0.103 0.000 1.019 194 F HN -0.031 nan 8.300 nan 0.000 0.523 195 T N -3.811 110.743 114.554 0.000 0.000 2.978 195 T HA -0.045 4.304 4.350 -0.001 0.000 0.262 195 T C 1.581 176.191 174.700 -0.150 0.000 1.063 195 T CA 0.939 63.010 62.100 -0.048 0.000 1.140 195 T CB -0.061 68.778 68.868 -0.049 0.000 0.886 195 T HN 0.061 nan 8.240 nan 0.000 0.470 196 N N 0.663 119.181 118.700 -0.302 0.000 2.282 196 N HA 0.122 4.861 4.740 -0.001 0.000 0.185 196 N C -0.237 174.796 175.510 -0.794 0.000 1.099 196 N CA 0.163 52.902 53.050 -0.518 0.000 0.878 196 N CB 0.321 38.439 38.487 -0.616 0.000 0.993 196 N HN 0.586 nan 8.380 nan 0.000 0.481 197 H N -0.822 118.029 119.070 -0.365 0.000 2.768 197 H HA 0.439 4.994 4.556 -0.001 0.000 0.371 197 H C -0.178 175.211 175.328 0.101 0.000 1.151 197 H CA -0.471 55.432 56.048 -0.241 0.000 1.165 197 H CB 1.981 31.402 29.762 -0.569 0.000 1.722 197 H HN -0.038 nan 8.280 nan 0.000 0.543 198 T N -0.245 114.501 114.554 0.320 0.000 2.901 198 T HA 0.613 4.962 4.350 -0.001 0.000 0.293 198 T C -0.282 174.680 174.700 0.437 0.000 1.084 198 T CA -1.008 61.346 62.100 0.423 0.000 1.008 198 T CB 1.526 70.547 68.868 0.255 0.000 1.170 198 T HN 0.280 nan 8.240 nan 0.000 0.509 199 L N 1.725 123.192 121.223 0.408 0.000 2.282 199 L HA 0.720 5.059 4.340 -0.001 0.000 0.288 199 L C -0.324 176.715 176.870 0.281 0.000 1.033 199 L CA -1.136 53.913 54.840 0.348 0.000 0.807 199 L CB 1.702 43.956 42.059 0.326 0.000 1.209 199 L HN 0.579 nan 8.230 nan 0.000 0.423 200 V N 5.846 125.886 119.914 0.210 0.000 2.495 200 V HA 0.470 4.589 4.120 -0.001 0.000 0.298 200 V C -0.615 175.589 176.094 0.183 0.000 1.031 200 V CA -0.515 61.845 62.300 0.099 0.000 0.871 200 V CB 1.994 33.733 31.823 -0.140 0.000 0.988 200 V HN 0.586 nan 8.190 nan 0.000 0.432 201 L N 7.958 129.272 121.223 0.151 0.000 2.289 201 L HA 0.722 5.061 4.340 -0.001 0.000 0.285 201 L C -0.657 176.305 176.870 0.154 0.000 1.049 201 L CA -0.401 54.484 54.840 0.075 0.000 0.804 201 L CB 0.929 42.939 42.059 -0.081 0.000 1.195 201 L HN 0.920 nan 8.230 nan 0.000 0.428 202 H N 2.783 121.818 119.070 -0.057 0.000 3.008 202 H HA 0.687 5.242 4.556 -0.001 0.000 0.354 202 H C -1.551 173.752 175.328 -0.042 0.000 1.252 202 H CA -0.867 55.157 56.048 -0.041 0.000 1.117 202 H CB 1.627 31.367 29.762 -0.038 0.000 1.857 202 H HN 0.286 nan 8.280 nan 0.000 0.547 203 V N 0.124 120.071 119.914 0.054 0.000 3.074 203 V HA 0.670 4.789 4.120 -0.001 0.000 0.314 203 V C 0.578 176.709 176.094 0.061 0.000 1.117 203 V CA -0.723 61.578 62.300 0.003 0.000 1.014 203 V CB 1.573 33.384 31.823 -0.021 0.000 1.057 203 V HN 1.120 nan 8.190 nan 0.000 0.438 204 A N 1.269 124.115 122.820 0.042 0.000 2.407 204 A HA 0.399 4.718 4.320 -0.001 0.000 0.248 204 A C 1.126 178.727 177.584 0.029 0.000 1.082 204 A CA -0.125 51.943 52.037 0.051 0.000 0.785 204 A CB -0.002 19.025 19.000 0.044 0.000 1.020 204 A HN 0.877 nan 8.150 nan 0.000 0.489 205 R N 0.711 121.229 120.500 0.029 0.000 2.200 205 R HA -0.132 4.208 4.340 -0.001 0.000 0.234 205 R C 2.004 178.304 176.300 -0.000 0.000 1.127 205 R CA 1.624 57.734 56.100 0.017 0.000 0.989 205 R CB -0.101 30.210 30.300 0.020 0.000 0.869 205 R HN 0.880 nan 8.270 nan 0.000 0.459 206 S N -0.589 115.113 115.700 0.004 0.000 2.558 206 S HA 0.014 4.483 4.470 -0.001 0.000 0.217 206 S C 1.144 175.726 174.600 -0.030 0.000 0.975 206 S CA 0.375 58.573 58.200 -0.004 0.000 0.912 206 S CB 0.357 63.568 63.200 0.018 0.000 0.776 206 S HN 0.317 nan 8.310 nan 0.000 0.526 207 E N 0.577 120.757 120.200 -0.034 0.000 2.572 207 E HA 0.225 4.575 4.350 -0.001 0.000 0.220 207 E C 1.720 178.260 176.600 -0.101 0.000 0.945 207 E CA 0.219 56.576 56.400 -0.072 0.000 1.070 207 E CB 0.125 29.822 29.700 -0.005 0.000 1.090 207 E HN 0.712 nan 8.360 nan 0.000 0.506 208 M N 1.230 120.785 119.600 -0.076 0.000 2.108 208 M HA -0.148 4.331 4.480 -0.001 0.000 0.261 208 M C 1.474 177.697 176.300 -0.128 0.000 1.066 208 M CA 1.874 57.120 55.300 -0.090 0.000 1.107 208 M CB -0.757 31.809 32.600 -0.057 0.000 1.356 208 M HN -0.094 nan 8.290 nan 0.000 0.406 209 D N 0.826 121.149 120.400 -0.127 0.000 2.309 209 D HA -0.143 4.497 4.640 -0.001 0.000 0.212 209 D C 1.171 177.359 176.300 -0.186 0.000 0.968 209 D CA 1.210 55.126 54.000 -0.140 0.000 0.882 209 D CB -0.466 40.263 40.800 -0.119 0.000 0.918 209 D HN 0.516 nan 8.370 nan 0.000 0.503 210 K N -0.446 119.809 120.400 -0.242 0.000 2.372 210 K HA 0.311 4.630 4.320 -0.001 0.000 0.200 210 K C -0.343 176.140 176.600 -0.196 0.000 1.022 210 K CA -0.200 55.894 56.287 -0.322 0.000 1.125 210 K CB 1.566 33.649 32.500 -0.695 0.000 0.855 210 K HN 0.015 nan 8.250 nan 0.000 0.524 211 V N 0.228 120.048 119.914 -0.156 0.000 3.188 211 V HA 0.535 4.654 4.120 -0.001 0.000 0.305 211 V C -1.995 174.011 176.094 -0.147 0.000 1.232 211 V CA -1.015 61.207 62.300 -0.129 0.000 1.043 211 V CB 2.346 34.101 31.823 -0.112 0.000 1.068 211 V HN 0.158 nan 8.190 nan 0.000 0.439 212 R N 2.759 123.179 120.500 -0.133 0.000 2.522 212 R HA 0.774 5.113 4.340 -0.001 0.000 0.283 212 R C -2.386 173.833 176.300 -0.135 0.000 1.074 212 R CA -0.341 55.648 56.100 -0.184 0.000 0.925 212 R CB 2.212 32.411 30.300 -0.168 0.000 1.205 212 R HN 0.589 nan 8.270 nan 0.000 0.436 213 V N 5.020 124.793 119.914 -0.235 0.000 2.513 213 V HA 0.598 4.717 4.120 -0.001 0.000 0.299 213 V C -0.801 175.186 176.094 -0.177 0.000 1.035 213 V CA -0.524 61.716 62.300 -0.099 0.000 0.889 213 V CB 1.494 33.249 31.823 -0.113 0.000 0.988 213 V HN 0.590 nan 8.190 nan 0.000 0.440 214 F N 2.183 122.173 119.950 0.068 0.000 2.508 214 F HA 0.558 5.084 4.527 -0.002 0.000 0.325 214 F C 0.228 176.131 175.800 0.172 0.000 1.090 214 F CA -0.401 57.656 58.000 0.094 0.000 0.945 214 F CB 1.902 40.970 39.000 0.113 0.000 1.156 214 F HN 0.386 nan 8.300 nan 0.000 0.463 215 Q N 1.801 121.756 119.800 0.259 0.000 2.312 215 Q HA 0.767 5.106 4.340 -0.001 0.000 0.263 215 Q C -1.361 174.682 176.000 0.072 0.000 0.995 215 Q CA -0.991 54.866 55.803 0.089 0.000 0.853 215 Q CB 1.952 30.716 28.738 0.043 0.000 1.300 215 Q HN 0.794 nan 8.270 nan 0.000 0.448 216 A N 3.027 125.811 122.820 -0.060 0.000 2.316 216 A HA 0.423 4.742 4.320 -0.001 0.000 0.324 216 A C -0.520 177.047 177.584 -0.028 0.000 1.375 216 A CA -0.579 51.480 52.037 0.036 0.000 0.882 216 A CB 0.410 19.486 19.000 0.128 0.000 1.152 216 A HN 0.686 nan 8.150 nan 0.000 0.512 217 T N 3.021 117.586 114.554 0.019 0.000 2.794 217 T HA 0.530 4.879 4.350 -0.001 0.000 0.296 217 T C 0.285 175.003 174.700 0.030 0.000 0.949 217 T CA -0.469 61.647 62.100 0.026 0.000 1.101 217 T CB 0.886 69.780 68.868 0.044 0.000 0.905 217 T HN 0.611 nan 8.240 nan 0.000 0.516 225 C N 1.204 120.560 119.300 0.092 0.000 2.455 225 C HA 0.788 5.247 4.460 -0.001 0.000 0.320 225 C C -0.249 174.891 174.990 0.250 0.000 1.226 225 C CA -0.280 58.842 59.018 0.175 0.000 1.569 225 C CB 1.501 29.336 27.740 0.158 0.000 2.200 225 C HN 0.786 nan 8.230 nan 0.000 0.491 226 S N 1.205 117.040 115.700 0.225 0.000 2.536 226 S HA 0.593 5.062 4.470 -0.001 0.000 0.287 226 S C -0.620 173.930 174.600 -0.084 0.000 1.101 226 S CA -0.395 57.883 58.200 0.131 0.000 0.950 226 S CB 1.387 64.654 63.200 0.112 0.000 1.056 226 S HN 0.546 nan 8.310 nan 0.000 0.481 227 V N 4.438 124.140 119.914 -0.354 0.000 2.644 227 V HA 0.022 4.141 4.120 -0.001 0.000 0.305 227 V C 1.259 177.043 176.094 -0.517 0.000 1.053 227 V CA 0.860 62.745 62.300 -0.691 0.000 1.186 227 V CB 0.577 31.981 31.823 -0.698 0.000 0.895 227 V HN 0.834 nan 8.190 nan 0.000 0.490 228 V N 2.386 121.964 119.914 -0.559 0.000 3.431 228 V HA 0.467 4.587 4.120 -0.001 0.000 0.255 228 V C 0.209 176.053 176.094 -0.416 0.000 1.403 228 V CA 0.129 62.120 62.300 -0.515 0.000 1.101 228 V CB 0.027 31.505 31.823 -0.574 0.000 0.891 228 V HN 0.494 nan 8.190 nan 0.000 0.446 229 L N 1.109 122.072 121.223 -0.432 0.000 2.381 229 L HA 0.978 5.317 4.340 -0.001 0.000 0.268 229 L C 0.200 176.793 176.870 -0.462 0.000 0.997 229 L CA 0.245 54.879 54.840 -0.344 0.000 0.818 229 L CB 1.871 43.816 42.059 -0.189 0.000 1.310 229 L HN 0.412 nan 8.230 nan 0.000 0.416 230 G N 1.443 109.991 108.800 -0.420 0.000 2.325 230 G HA2 0.230 4.189 3.960 -0.001 0.000 0.295 230 G HA3 0.230 4.189 3.960 -0.001 0.000 0.295 230 G C -2.874 171.861 174.900 -0.275 0.000 1.274 230 G CA -0.443 44.433 45.100 -0.373 0.000 0.857 230 G HN 0.273 nan 8.290 nan 0.000 0.499 231 P HA 0.041 nan 4.420 nan 0.000 0.222 231 P C 1.498 178.745 177.300 -0.087 0.000 1.147 231 P CA 1.153 64.173 63.100 -0.133 0.000 0.790 231 P CB 0.203 31.833 31.700 -0.117 0.000 0.780 232 K N -1.298 119.019 120.400 -0.139 0.000 1.995 232 K HA -0.015 4.304 4.320 -0.001 0.000 0.207 232 K C 0.539 177.267 176.600 0.214 0.000 1.041 232 K CA 0.911 57.225 56.287 0.045 0.000 0.942 232 K CB -0.190 32.378 32.500 0.112 0.000 0.731 232 K HN 0.227 nan 8.250 nan 0.000 0.439 233 W N 0.938 122.223 121.300 -0.025 0.000 2.702 233 W HA 0.307 4.967 4.660 -0.001 0.000 0.331 233 W C -2.596 173.915 176.519 -0.014 0.000 1.049 233 W CA -2.985 54.353 57.345 -0.011 0.000 1.230 233 W CB -0.048 29.418 29.460 0.010 0.000 1.408 233 W HN -0.074 nan 8.180 nan 0.000 0.492 234 P HA -0.027 nan 4.420 nan 0.000 0.245 234 P C 0.261 177.642 177.300 0.135 0.000 1.203 234 P CA 0.678 63.842 63.100 0.106 0.000 0.792 234 P CB 0.870 32.620 31.700 0.083 0.000 0.997 235 S N -1.203 114.603 115.700 0.176 0.000 2.697 235 S HA 0.606 5.075 4.470 -0.001 0.000 0.289 235 S C -1.074 173.668 174.600 0.236 0.000 1.149 235 S CA -0.681 57.599 58.200 0.134 0.000 0.850 235 S CB 2.089 65.266 63.200 -0.039 0.000 1.151 235 S HN 0.136 nan 8.310 nan 0.000 0.491 236 H N -0.469 118.599 119.070 -0.004 0.000 3.123 236 H HA 0.258 4.813 4.556 -0.001 0.000 0.346 236 H C -2.029 173.282 175.328 -0.027 0.000 1.138 236 H CA -0.403 55.679 56.048 0.056 0.000 1.273 236 H CB 1.067 30.953 29.762 0.205 0.000 1.926 236 H HN 0.753 nan 8.280 nan 0.000 0.524 237 Y N 3.632 123.814 120.300 -0.197 0.000 2.309 237 Y HA 0.236 4.785 4.550 -0.001 0.000 0.327 237 Y C 0.527 176.448 175.900 0.036 0.000 1.172 237 Y CA -0.368 57.693 58.100 -0.066 0.000 1.280 237 Y CB 0.960 39.349 38.460 -0.119 0.000 1.234 237 Y HN 0.257 nan 8.280 nan 0.000 0.512 238 L N 4.785 126.185 121.223 0.295 0.000 2.309 238 L HA 0.434 4.773 4.340 -0.001 0.000 0.282 238 L C -0.373 176.560 176.870 0.106 0.000 1.036 238 L CA -0.793 54.201 54.840 0.256 0.000 0.806 238 L CB 1.032 43.248 42.059 0.263 0.000 1.220 238 L HN 0.542 nan 8.230 nan 0.000 0.429 239 M N 4.435 124.079 119.600 0.074 0.000 2.589 239 M HA 0.345 4.824 4.480 -0.001 0.000 0.340 239 M C -0.861 175.368 176.300 -0.119 0.000 1.308 239 M CA -0.352 54.931 55.300 -0.029 0.000 1.332 239 M CB 0.576 33.177 32.600 0.001 0.000 1.219 239 M HN 0.216 nan 8.290 nan 0.000 0.467 240 V N 5.239 124.979 119.914 -0.290 0.000 2.435 240 V HA 0.502 4.621 4.120 -0.001 0.000 0.290 240 V C -1.880 173.911 176.094 -0.505 0.000 1.030 240 V CA -1.319 60.723 62.300 -0.430 0.000 0.881 240 V CB 1.679 33.168 31.823 -0.556 0.000 0.983 240 V HN 0.570 nan 8.190 nan 0.000 0.445 241 P HA 0.313 nan 4.420 nan 0.000 0.281 241 P C 0.193 177.599 177.300 0.176 0.000 1.249 241 P CA -0.054 62.987 63.100 -0.098 0.000 0.810 241 P CB 1.196 32.802 31.700 -0.158 0.000 1.008 242 G N 0.019 109.032 108.800 0.354 0.000 2.699 242 G HA2 0.422 4.381 3.960 -0.001 0.000 0.246 242 G HA3 0.422 4.381 3.960 -0.001 0.000 0.246 242 G C 0.424 175.456 174.900 0.221 0.000 1.219 242 G CA 0.381 45.720 45.100 0.399 0.000 0.866 242 G HN 0.874 nan 8.290 nan 0.000 0.572 243 G N -0.422 108.480 108.800 0.170 0.000 2.615 243 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.218 243 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.218 243 G C -0.151 174.822 174.900 0.123 0.000 1.339 243 G CA -0.051 45.115 45.100 0.110 0.000 0.884 243 G HN 0.794 nan 8.290 nan 0.000 0.559 244 K N 1.037 121.498 120.400 0.102 0.000 2.292 244 K HA 0.479 4.798 4.320 -0.001 0.000 0.290 244 K C -0.140 176.563 176.600 0.171 0.000 1.083 244 K CA -0.203 56.146 56.287 0.104 0.000 0.918 244 K CB 0.960 33.496 32.500 0.060 0.000 1.089 244 K HN 0.726 nan 8.250 nan 0.000 0.473 245 H N 2.060 121.164 119.070 0.057 0.000 2.865 245 H HA 0.444 4.999 4.556 -0.001 0.000 0.372 245 H C -1.467 173.885 175.328 0.039 0.000 1.173 245 H CA -1.007 55.069 56.048 0.045 0.000 1.147 245 H CB 1.282 31.076 29.762 0.053 0.000 1.805 245 H HN 0.652 nan 8.280 nan 0.000 0.553 246 N N 2.440 120.779 118.700 -0.601 0.000 2.371 246 N HA 0.318 5.057 4.740 -0.001 0.000 0.280 246 N C -1.464 173.683 175.510 -0.605 0.000 1.084 246 N CA -0.859 51.917 53.050 -0.457 0.000 0.892 246 N CB 1.430 39.818 38.487 -0.166 0.000 1.653 246 N HN 0.654 nan 8.380 nan 0.000 0.480 247 M N -0.900 118.467 119.600 -0.389 0.000 2.528 247 M HA 0.679 5.158 4.480 -0.001 0.000 0.321 247 M C -1.529 174.525 176.300 -0.410 0.000 1.153 247 M CA -0.684 54.388 55.300 -0.381 0.000 0.951 247 M CB 1.844 34.242 32.600 -0.337 0.000 1.705 247 M HN 0.168 nan 8.290 nan 0.000 0.451 248 D N 2.311 122.423 120.400 -0.479 0.000 2.177 248 D HA 0.600 5.239 4.640 -0.001 0.000 0.247 248 D C -1.272 174.591 176.300 -0.728 0.000 1.063 248 D CA 0.211 53.933 54.000 -0.464 0.000 0.867 248 D CB 1.331 41.928 40.800 -0.339 0.000 1.168 248 D HN 0.453 nan 8.370 nan 0.000 0.445 249 F N 0.749 120.497 119.950 -0.335 0.000 2.598 249 F HA 0.485 5.011 4.527 -0.001 0.000 0.327 249 F C -0.435 175.050 175.800 -0.525 0.000 1.057 249 F CA -1.002 56.848 58.000 -0.249 0.000 0.957 249 F CB 1.203 40.145 39.000 -0.097 0.000 1.278 249 F HN 0.145 nan 8.300 nan 0.000 0.484 250 Y N 0.577 121.017 120.300 0.233 0.000 2.338 250 Y HA 0.626 5.175 4.550 -0.001 0.000 0.333 250 Y C -0.627 175.349 175.900 0.127 0.000 0.968 250 Y CA -1.169 57.001 58.100 0.118 0.000 1.123 250 Y CB 1.805 40.290 38.460 0.041 0.000 1.165 250 Y HN 0.246 nan 8.280 nan 0.000 0.452 251 V N 3.124 123.093 119.914 0.092 0.000 2.612 251 V HA 0.581 4.700 4.120 -0.001 0.000 0.301 251 V C -0.574 175.496 176.094 -0.039 0.000 1.046 251 V CA -0.992 61.267 62.300 -0.067 0.000 0.946 251 V CB 1.684 33.248 31.823 -0.431 0.000 1.003 251 V HN 0.815 nan 8.190 nan 0.000 0.459 252 E N 2.300 122.486 120.200 -0.024 0.000 2.314 252 E HA 0.809 5.158 4.350 -0.001 0.000 0.272 252 E C -0.773 175.786 176.600 -0.068 0.000 0.884 252 E CA -0.931 55.454 56.400 -0.025 0.000 0.753 252 E CB 2.168 31.894 29.700 0.042 0.000 1.213 252 E HN 0.771 nan 8.360 nan 0.000 0.432 253 A N 2.275 125.046 122.820 -0.081 0.000 2.287 253 A HA 0.530 4.850 4.320 -0.001 0.000 0.273 253 A C 0.210 177.743 177.584 -0.084 0.000 1.091 253 A CA -0.702 51.286 52.037 -0.081 0.000 0.817 253 A CB 0.102 19.058 19.000 -0.074 0.000 1.069 253 A HN 0.682 nan 8.150 nan 0.000 0.492 254 L N 0.011 121.181 121.223 -0.088 0.000 3.289 254 L HA 0.567 4.906 4.340 -0.001 0.000 0.291 254 L C 0.155 176.986 176.870 -0.064 0.000 1.279 254 L CA 0.372 55.167 54.840 -0.076 0.000 1.025 254 L CB 0.034 42.048 42.059 -0.076 0.000 1.413 254 L HN 0.724 nan 8.230 nan 0.000 0.593 255 A N -0.133 122.658 122.820 -0.049 0.000 2.518 255 A HA 0.630 4.949 4.320 -0.001 0.000 0.295 255 A C -1.033 176.688 177.584 0.229 0.000 1.052 255 A CA -0.403 51.680 52.037 0.076 0.000 0.824 255 A CB 0.596 19.544 19.000 -0.086 0.000 1.325 255 A HN 0.015 nan 8.150 nan 0.000 0.394 256 F N 2.111 122.207 119.950 0.245 0.000 2.440 256 F HA 0.441 4.967 4.527 -0.002 0.000 0.323 256 F C -1.583 174.380 175.800 0.272 0.000 1.192 256 F CA -1.056 57.075 58.000 0.217 0.000 1.252 256 F CB 0.460 39.627 39.000 0.278 0.000 1.214 256 F HN 0.334 nan 8.300 nan 0.000 0.578 257 P HA 0.111 nan 4.420 nan 0.000 0.270 257 P C -1.113 176.288 177.300 0.168 0.000 1.227 257 P CA 0.316 63.410 63.100 -0.009 0.000 0.788 257 P CB 0.543 32.127 31.700 -0.193 0.000 0.926 258 D N -2.181 118.301 120.400 0.136 0.000 2.890 258 D HA 0.016 4.655 4.640 -0.001 0.000 0.306 258 D C 0.527 176.911 176.300 0.141 0.000 1.280 258 D CA -0.210 53.906 54.000 0.193 0.000 0.742 258 D CB 0.228 41.210 40.800 0.303 0.000 1.266 258 D HN 0.174 nan 8.370 nan 0.000 0.433 259 T N -0.636 113.991 114.554 0.122 0.000 2.929 259 T HA -0.117 4.232 4.350 -0.001 0.000 0.271 259 T C 0.796 175.555 174.700 0.100 0.000 1.085 259 T CA 1.550 63.701 62.100 0.085 0.000 1.125 259 T CB -0.229 68.678 68.868 0.065 0.000 0.874 259 T HN 0.395 nan 8.240 nan 0.000 0.494 260 D N -0.275 120.208 120.400 0.138 0.000 2.525 260 D HA 0.216 4.855 4.640 -0.001 0.000 0.229 260 D C -0.337 176.112 176.300 0.249 0.000 1.202 260 D CA -0.839 53.248 54.000 0.145 0.000 0.828 260 D CB -0.373 40.493 40.800 0.109 0.000 1.008 260 D HN 0.291 nan 8.370 nan 0.000 0.493 261 F N 0.217 120.189 119.950 0.036 0.000 3.692 261 F HA 0.283 4.810 4.527 -0.000 0.000 0.410 261 F C -2.535 173.279 175.800 0.023 0.000 1.124 261 F CA -2.000 56.017 58.000 0.028 0.000 1.474 261 F CB 1.144 40.164 39.000 0.033 0.000 2.346 261 F HN -0.274 nan 8.300 nan 0.000 0.789 262 P HA 0.073 nan 4.420 nan 0.000 0.222 262 P C 1.162 178.133 177.300 -0.547 0.000 1.142 262 P CA 2.716 65.670 63.100 -0.243 0.000 0.788 262 P CB 0.147 31.786 31.700 -0.102 0.000 0.767 263 G N -2.885 105.150 108.800 -1.275 0.000 2.159 263 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.227 263 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.227 263 G C -0.068 174.433 174.900 -0.664 0.000 0.986 263 G CA -0.453 43.828 45.100 -1.364 0.000 0.651 263 G HN 0.262 nan 8.290 nan 0.000 0.523 264 L N 0.748 121.754 121.223 -0.363 0.000 2.312 264 L HA 0.717 5.057 4.340 -0.001 0.000 0.281 264 L C 0.456 177.399 176.870 0.121 0.000 1.070 264 L CA -0.722 54.053 54.840 -0.109 0.000 0.805 264 L CB 1.374 43.402 42.059 -0.053 0.000 1.174 264 L HN 0.069 nan 8.230 nan 0.000 0.434 265 I N 1.906 122.564 120.570 0.147 0.000 2.499 265 I HA 0.290 4.459 4.170 -0.001 0.000 0.288 265 I C -0.606 175.615 176.117 0.174 0.000 1.048 265 I CA -0.269 61.144 61.300 0.188 0.000 1.062 265 I CB 2.374 40.493 38.000 0.198 0.000 1.238 265 I HN 0.505 nan 8.210 nan 0.000 0.426 266 T N 6.991 121.608 114.554 0.105 0.000 2.779 266 T HA 0.594 4.943 4.350 -0.001 0.000 0.280 266 T C -0.317 174.388 174.700 0.007 0.000 0.987 266 T CA -0.475 61.657 62.100 0.054 0.000 0.966 266 T CB 1.125 69.999 68.868 0.010 0.000 0.933 266 T HN 0.259 nan 8.240 nan 0.000 0.442 267 L N 3.366 124.588 121.223 -0.001 0.000 2.322 267 L HA 0.604 4.944 4.340 -0.001 0.000 0.281 267 L C 0.115 176.860 176.870 -0.207 0.000 1.014 267 L CA -0.771 54.014 54.840 -0.093 0.000 0.815 267 L CB 1.705 43.759 42.059 -0.008 0.000 1.247 267 L HN 0.614 nan 8.230 nan 0.000 0.421 268 T N 2.832 117.147 114.554 -0.398 0.000 2.863 268 T HA 0.521 4.870 4.350 -0.001 0.000 0.285 268 T C -0.653 173.793 174.700 -0.423 0.000 1.009 268 T CA -0.445 61.380 62.100 -0.460 0.000 0.989 268 T CB 2.526 71.017 68.868 -0.628 0.000 1.004 268 T HN 0.264 nan 8.240 nan 0.000 0.455 269 I N 2.287 122.734 120.570 -0.204 0.000 2.339 269 I HA 0.500 4.669 4.170 -0.001 0.000 0.290 269 I C -0.361 175.778 176.117 0.036 0.000 0.994 269 I CA 0.104 61.382 61.300 -0.037 0.000 1.191 269 I CB 1.008 39.019 38.000 0.017 0.000 1.343 269 I HN 0.537 nan 8.210 nan 0.000 0.458 270 S N 7.257 123.068 115.700 0.185 0.000 2.509 270 S HA 0.632 5.101 4.470 -0.001 0.000 0.297 270 S C -0.959 173.784 174.600 0.237 0.000 1.118 270 S CA -0.511 57.797 58.200 0.179 0.000 1.074 270 S CB 1.441 64.753 63.200 0.187 0.000 1.038 270 S HN 0.563 nan 8.310 nan 0.000 0.498 271 L N 4.835 126.229 121.223 0.285 0.000 2.294 271 L HA 0.603 4.942 4.340 -0.001 0.000 0.283 271 L C -1.559 175.482 176.870 0.284 0.000 1.015 271 L CA -0.262 54.789 54.840 0.353 0.000 0.831 271 L CB 0.285 42.611 42.059 0.446 0.000 1.217 271 L HN 0.546 nan 8.230 nan 0.000 0.420 272 L N 3.684 125.071 121.223 0.273 0.000 2.317 272 L HA 0.505 4.844 4.340 -0.001 0.000 0.281 272 L C -0.210 176.813 176.870 0.254 0.000 1.024 272 L CA -0.792 54.183 54.840 0.224 0.000 0.810 272 L CB 1.314 43.482 42.059 0.182 0.000 1.240 272 L HN 0.475 nan 8.230 nan 0.000 0.427 273 D N 1.625 122.164 120.400 0.232 0.000 2.358 273 D HA 0.119 4.758 4.640 -0.001 0.000 0.258 273 D C 0.150 176.433 176.300 -0.028 0.000 1.223 273 D CA 0.009 54.079 54.000 0.116 0.000 0.886 273 D CB 0.993 41.864 40.800 0.118 0.000 1.120 273 D HN 0.633 nan 8.370 nan 0.000 0.482 274 T N 0.133 114.599 114.554 -0.146 0.000 3.374 274 T HA 0.139 4.488 4.350 -0.001 0.000 0.267 274 T C 1.348 175.938 174.700 -0.183 0.000 0.996 274 T CA -0.237 61.790 62.100 -0.123 0.000 0.977 274 T CB 0.002 68.818 68.868 -0.087 0.000 1.149 274 T HN 0.237 nan 8.240 nan 0.000 0.517 275 S N 1.310 116.879 115.700 -0.219 0.000 2.371 275 S HA 0.067 4.536 4.470 -0.001 0.000 0.219 275 S C 0.703 175.215 174.600 -0.146 0.000 1.040 275 S CA -0.039 58.026 58.200 -0.225 0.000 0.958 275 S CB -0.510 62.530 63.200 -0.266 0.000 0.860 275 S HN 0.413 nan 8.310 nan 0.000 0.487 276 N N 1.515 120.148 118.700 -0.113 0.000 2.513 276 N HA 0.343 5.082 4.740 -0.001 0.000 0.268 276 N C 0.100 175.565 175.510 -0.074 0.000 1.180 276 N CA -0.092 52.908 53.050 -0.084 0.000 0.948 276 N CB 1.124 39.572 38.487 -0.064 0.000 1.083 276 N HN 0.222 nan 8.380 nan 0.000 0.455 277 L N 1.317 122.500 121.223 -0.067 0.000 2.408 277 L HA 0.156 4.495 4.340 -0.001 0.000 0.215 277 L C 1.812 178.653 176.870 -0.049 0.000 1.081 277 L CA 0.862 55.665 54.840 -0.062 0.000 0.840 277 L CB 0.091 42.114 42.059 -0.061 0.000 1.002 277 L HN 0.470 nan 8.230 nan 0.000 0.468 278 E N -0.295 119.879 120.200 -0.043 0.000 2.099 278 E HA 0.124 4.473 4.350 -0.001 0.000 0.191 278 E C 0.730 177.312 176.600 -0.029 0.000 0.962 278 E CA 0.192 56.572 56.400 -0.035 0.000 0.826 278 E CB -0.035 29.646 29.700 -0.032 0.000 0.788 278 E HN 0.207 nan 8.360 nan 0.000 0.461 279 L N 3.645 124.851 121.223 -0.029 0.000 2.573 279 L HA -0.023 4.316 4.340 -0.001 0.000 0.290 279 L C -1.602 175.256 176.870 -0.020 0.000 1.247 279 L CA -0.867 53.960 54.840 -0.022 0.000 0.876 279 L CB -0.547 41.498 42.059 -0.023 0.000 1.123 279 L HN 0.098 nan 8.230 nan 0.000 0.505 280 P HA 0.094 nan 4.420 nan 0.000 0.275 280 P C -0.975 176.325 177.300 0.001 0.000 1.266 280 P CA -0.645 62.452 63.100 -0.004 0.000 0.793 280 P CB 0.345 32.046 31.700 0.002 0.000 1.074 281 E N -0.233 119.975 120.200 0.013 0.000 2.392 281 E HA 0.458 4.807 4.350 -0.001 0.000 0.264 281 E C -0.387 176.236 176.600 0.038 0.000 1.024 281 E CA -0.776 55.642 56.400 0.029 0.000 0.903 281 E CB 0.232 29.966 29.700 0.057 0.000 0.963 281 E HN 0.451 nan 8.360 nan 0.000 0.432 282 A N 2.768 125.618 122.820 0.050 0.000 2.350 282 A HA 0.443 4.763 4.320 -0.001 0.000 0.324 282 A C -0.503 177.133 177.584 0.086 0.000 1.118 282 A CA -0.920 51.152 52.037 0.057 0.000 0.783 282 A CB 1.346 20.377 19.000 0.053 0.000 1.236 282 A HN 0.437 nan 8.150 nan 0.000 0.457 283 V N 3.235 123.196 119.914 0.080 0.000 2.488 283 V HA 0.116 4.235 4.120 -0.001 0.000 0.277 283 V C 1.076 177.246 176.094 0.127 0.000 1.046 283 V CA 0.039 62.400 62.300 0.102 0.000 0.986 283 V CB 1.102 32.968 31.823 0.071 0.000 0.989 283 V HN 0.726 nan 8.190 nan 0.000 0.475 284 V N 4.696 124.715 119.914 0.175 0.000 2.825 284 V HA 0.233 4.352 4.120 -0.001 0.000 0.246 284 V C 0.236 176.496 176.094 0.275 0.000 1.068 284 V CA 0.864 63.282 62.300 0.196 0.000 1.088 284 V CB -0.070 31.872 31.823 0.198 0.000 0.733 284 V HN 0.776 nan 8.190 nan 0.000 0.468 285 F N 0.881 120.877 119.950 0.077 0.000 2.911 285 F HA 0.452 4.978 4.527 -0.002 0.000 0.349 285 F C -0.993 174.855 175.800 0.080 0.000 1.222 285 F CA -0.702 57.338 58.000 0.065 0.000 1.164 285 F CB 0.913 39.947 39.000 0.055 0.000 1.454 285 F HN -0.042 nan 8.300 nan 0.000 0.616 286 Q N 4.298 123.823 119.800 -0.458 0.000 2.245 286 Q HA 0.494 4.833 4.340 -0.001 0.000 0.256 286 Q C -1.550 173.959 176.000 -0.817 0.000 0.942 286 Q CA -0.891 54.620 55.803 -0.486 0.000 0.896 286 Q CB 2.448 31.084 28.738 -0.170 0.000 1.272 286 Q HN 0.678 nan 8.270 nan 0.000 0.442 287 D N 0.119 120.138 120.400 -0.636 0.000 2.661 287 D HA 0.485 5.125 4.640 -0.001 0.000 0.228 287 D C -1.594 174.562 176.300 -0.239 0.000 1.210 287 D CA -0.325 53.414 54.000 -0.434 0.000 0.826 287 D CB 1.934 42.468 40.800 -0.443 0.000 1.542 287 D HN 0.522 nan 8.370 nan 0.000 0.447 288 S N -0.137 115.460 115.700 -0.173 0.000 2.607 288 S HA 0.726 5.195 4.470 -0.001 0.000 0.273 288 S C -0.755 173.756 174.600 -0.148 0.000 1.148 288 S CA -0.854 57.251 58.200 -0.158 0.000 0.833 288 S CB 1.146 64.253 63.200 -0.156 0.000 1.130 288 S HN 0.841 nan 8.310 nan 0.000 0.470 289 V N -1.126 118.683 119.914 -0.175 0.000 2.581 289 V HA 0.886 5.005 4.120 -0.001 0.000 0.303 289 V C -0.677 175.269 176.094 -0.247 0.000 1.041 289 V CA -0.738 61.403 62.300 -0.264 0.000 0.907 289 V CB 1.350 32.922 31.823 -0.417 0.000 0.994 289 V HN 0.744 nan 8.190 nan 0.000 0.442 290 V N 5.533 125.316 119.914 -0.218 0.000 2.370 290 V HA 0.507 4.626 4.120 -0.001 0.000 0.279 290 V C -0.314 175.724 176.094 -0.095 0.000 1.029 290 V CA -0.076 62.179 62.300 -0.075 0.000 0.870 290 V CB 0.956 32.804 31.823 0.042 0.000 0.984 290 V HN 0.802 nan 8.190 nan 0.000 0.451 291 F N 4.009 124.006 119.950 0.078 0.000 2.432 291 F HA 0.663 5.190 4.527 -0.001 0.000 0.329 291 F C 0.486 176.246 175.800 -0.068 0.000 1.076 291 F CA -0.531 57.513 58.000 0.074 0.000 1.018 291 F CB 1.487 40.502 39.000 0.026 0.000 1.201 291 F HN 0.320 nan 8.300 nan 0.000 0.489 292 R N 1.606 122.113 120.500 0.012 0.000 2.534 292 R HA 0.628 4.967 4.340 -0.001 0.000 0.301 292 R C -1.828 174.401 176.300 -0.119 0.000 0.961 292 R CA -0.648 55.205 56.100 -0.411 0.000 0.871 292 R CB 1.564 30.993 30.300 -1.452 0.000 1.170 292 R HN 0.527 nan 8.270 nan 0.000 0.446 293 V N 3.834 123.647 119.914 -0.169 0.000 2.521 293 V HA 0.216 4.335 4.120 -0.001 0.000 0.286 293 V C 0.632 176.631 176.094 -0.160 0.000 1.034 293 V CA -0.272 61.961 62.300 -0.112 0.000 1.045 293 V CB 1.008 32.761 31.823 -0.116 0.000 0.974 293 V HN 0.931 nan 8.190 nan 0.000 0.480 294 A N 9.110 131.895 122.820 -0.058 0.000 2.492 294 A HA 0.473 4.792 4.320 -0.001 0.000 0.254 294 A C -1.761 175.633 177.584 -0.317 0.000 1.091 294 A CA -0.911 51.014 52.037 -0.188 0.000 0.768 294 A CB -0.256 18.839 19.000 0.158 0.000 1.028 294 A HN 0.689 nan 8.150 nan 0.000 0.498 295 P HA 0.096 nan 4.420 nan 0.000 0.274 295 P C -0.740 176.525 177.300 -0.058 0.000 1.246 295 P CA -0.417 62.537 63.100 -0.242 0.000 0.795 295 P CB 0.537 31.962 31.700 -0.457 0.000 1.006 296 W N 2.803 123.986 121.300 -0.195 0.000 2.335 296 W HA 0.475 5.134 4.660 -0.001 0.000 0.306 296 W C -1.011 175.283 176.519 -0.375 0.000 1.216 296 W CA -0.041 57.106 57.345 -0.331 0.000 1.237 296 W CB 0.075 29.150 29.460 -0.642 0.000 1.243 296 W HN 0.145 nan 8.180 nan 0.000 0.493 297 I N 8.338 128.253 120.570 -1.092 0.000 2.465 297 I HA 0.291 4.461 4.170 -0.001 0.000 0.291 297 I C 0.061 175.472 176.117 -1.176 0.000 1.014 297 I CA -1.159 59.519 61.300 -1.037 0.000 1.093 297 I CB 1.851 39.235 38.000 -1.026 0.000 1.267 297 I HN 0.362 nan 8.210 nan 0.000 0.431 298 M N 3.696 122.818 119.600 -0.797 0.000 2.342 298 M HA 0.311 4.791 4.480 -0.001 0.000 0.332 298 M C -0.166 176.057 176.300 -0.130 0.000 1.166 298 M CA -0.012 54.974 55.300 -0.523 0.000 1.086 298 M CB 1.609 34.008 32.600 -0.335 0.000 1.541 298 M HN 0.523 nan 8.290 nan 0.000 0.462 299 T N 5.169 119.683 114.554 -0.067 0.000 2.772 299 T HA 0.555 4.904 4.350 -0.001 0.000 0.288 299 T C -2.416 172.251 174.700 -0.055 0.000 0.994 299 T CA -1.685 60.381 62.100 -0.056 0.000 0.951 299 T CB 0.907 69.736 68.868 -0.066 0.000 0.933 299 T HN 0.449 nan 8.240 nan 0.000 0.447 300 P HA 0.244 nan 4.420 nan 0.000 0.275 300 P C 0.557 177.829 177.300 -0.046 0.000 1.266 300 P CA -0.417 62.652 63.100 -0.052 0.000 0.793 300 P CB 0.774 32.428 31.700 -0.077 0.000 1.074 301 N N -0.557 118.143 118.700 0.001 0.000 2.453 301 N HA -0.071 4.668 4.740 -0.001 0.000 0.183 301 N C 1.330 176.856 175.510 0.026 0.000 1.041 301 N CA 1.293 54.368 53.050 0.042 0.000 0.900 301 N CB -0.685 37.873 38.487 0.117 0.000 0.961 301 N HN 0.564 nan 8.380 nan 0.000 0.443 302 T N -2.150 112.402 114.554 -0.004 0.000 3.194 302 T HA 0.097 4.446 4.350 -0.001 0.000 0.251 302 T C 0.630 175.313 174.700 -0.028 0.000 1.132 302 T CA 0.110 62.219 62.100 0.015 0.000 1.028 302 T CB 0.234 69.118 68.868 0.026 0.000 0.976 302 T HN -0.128 nan 8.240 nan 0.000 0.535 303 Q N 2.194 121.940 119.800 -0.091 0.000 2.271 303 Q HA 0.412 4.751 4.340 -0.001 0.000 0.258 303 Q C -2.790 173.150 176.000 -0.101 0.000 0.936 303 Q CA -2.854 52.853 55.803 -0.161 0.000 0.909 303 Q CB 1.602 30.148 28.738 -0.320 0.000 1.253 303 Q HN 0.178 nan 8.270 nan 0.000 0.440 304 P HA 0.034 nan 4.420 nan 0.000 0.262 304 P C -2.403 174.859 177.300 -0.064 0.000 1.182 304 P CA -0.684 62.380 63.100 -0.061 0.000 0.761 304 P CB -0.095 31.570 31.700 -0.059 0.000 0.795 305 P HA 0.165 nan 4.420 nan 0.000 0.280 305 P C -0.034 177.241 177.300 -0.043 0.000 1.244 305 P CA 0.060 63.137 63.100 -0.037 0.000 0.784 305 P CB 1.164 32.845 31.700 -0.031 0.000 0.913 306 Q N 0.674 120.457 119.800 -0.028 0.000 2.402 306 Q HA 0.160 4.500 4.340 -0.001 0.000 0.231 306 Q C 0.180 176.159 176.000 -0.035 0.000 0.888 306 Q CA 0.455 56.243 55.803 -0.025 0.000 0.938 306 Q CB 0.894 29.626 28.738 -0.009 0.000 1.086 306 Q HN 0.575 nan 8.270 nan 0.000 0.543 307 E N -0.472 119.699 120.200 -0.047 0.000 2.431 307 E HA 0.299 4.648 4.350 -0.001 0.000 0.287 307 E C -1.878 174.572 176.600 -0.251 0.000 1.032 307 E CA -0.396 55.899 56.400 -0.174 0.000 0.839 307 E CB 1.891 31.482 29.700 -0.182 0.000 1.218 307 E HN -0.123 nan 8.360 nan 0.000 0.424 308 V N 3.230 122.920 119.914 -0.374 0.000 2.628 308 V HA 0.554 4.673 4.120 -0.001 0.000 0.306 308 V C -1.165 174.640 176.094 -0.482 0.000 1.045 308 V CA -0.648 61.493 62.300 -0.264 0.000 0.905 308 V CB 1.319 33.080 31.823 -0.103 0.000 0.997 308 V HN 0.563 nan 8.190 nan 0.000 0.436 309 Y N 1.690 122.003 120.300 0.021 0.000 2.409 309 Y HA 0.845 5.394 4.550 -0.002 0.000 0.343 309 Y C 0.271 176.177 175.900 0.011 0.000 0.973 309 Y CA -0.621 57.484 58.100 0.007 0.000 1.064 309 Y CB 2.183 40.640 38.460 -0.004 0.000 1.207 309 Y HN 0.815 nan 8.280 nan 0.000 0.452 310 A N 1.104 123.999 122.820 0.124 0.000 2.556 310 A HA 0.823 5.142 4.320 -0.001 0.000 0.294 310 A C -0.922 176.700 177.584 0.064 0.000 1.091 310 A CA -0.812 51.275 52.037 0.082 0.000 0.704 310 A CB 0.448 19.479 19.000 0.051 0.000 1.300 310 A HN 0.937 nan 8.150 nan 0.000 0.406 311 C N 0.273 119.603 119.300 0.049 0.000 2.349 311 C HA 0.887 5.346 4.460 -0.001 0.000 0.361 311 C C 1.260 176.267 174.990 0.027 0.000 1.189 311 C CA -0.260 58.779 59.018 0.035 0.000 2.155 311 C CB 0.760 28.516 27.740 0.027 0.000 2.336 311 C HN 1.271 nan 8.230 nan 0.000 0.540 321 K N 0.320 120.735 120.400 0.026 0.000 2.576 321 K HA 0.344 4.663 4.320 -0.001 0.000 0.209 321 K C 0.756 177.370 176.600 0.024 0.000 1.049 321 K CA 0.129 56.428 56.287 0.021 0.000 1.140 321 K CB 0.629 33.140 32.500 0.019 0.000 0.871 321 K HN 0.186 nan 8.250 nan 0.000 0.479 322 S N -0.495 115.222 115.700 0.028 0.000 2.499 322 S HA -0.048 4.421 4.470 -0.001 0.000 0.225 322 S C 1.639 176.253 174.600 0.023 0.000 1.050 322 S CA -0.147 58.071 58.200 0.030 0.000 0.928 322 S CB 0.325 63.549 63.200 0.039 0.000 0.803 322 S HN 0.137 nan 8.310 nan 0.000 0.506 323 V N 2.576 122.503 119.914 0.022 0.000 2.913 323 V HA -0.106 4.013 4.120 -0.001 0.000 0.260 323 V C 2.541 178.638 176.094 0.005 0.000 1.098 323 V CA 2.121 64.430 62.300 0.015 0.000 1.121 323 V CB -0.436 31.398 31.823 0.018 0.000 0.714 323 V HN 0.673 nan 8.190 nan 0.000 0.487 324 T N -1.899 112.657 114.554 0.004 0.000 2.978 324 T HA -0.134 4.216 4.350 -0.001 0.000 0.262 324 T C 1.806 176.505 174.700 -0.002 0.000 1.063 324 T CA 1.953 64.050 62.100 -0.005 0.000 1.140 324 T CB -0.256 68.609 68.868 -0.005 0.000 0.886 324 T HN 0.565 nan 8.240 nan 0.000 0.470 325 T N 2.204 116.763 114.554 0.009 0.000 2.746 325 T HA 0.098 4.447 4.350 -0.001 0.000 0.267 325 T C 1.850 176.563 174.700 0.021 0.000 1.039 325 T CA 1.017 63.126 62.100 0.015 0.000 1.142 325 T CB -0.412 68.469 68.868 0.022 0.000 0.866 325 T HN 0.254 nan 8.240 nan 0.000 0.444 326 L N 0.554 121.791 121.223 0.023 0.000 2.046 326 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 326 L C 2.885 179.759 176.870 0.006 0.000 1.077 326 L CA 1.372 56.234 54.840 0.036 0.000 0.747 326 L CB -0.549 41.527 42.059 0.028 0.000 0.896 326 L HN 0.281 nan 8.230 nan 0.000 0.432 327 A N -0.863 121.946 122.820 -0.018 0.000 1.972 327 A HA -0.238 4.082 4.320 -0.001 0.000 0.219 327 A C 2.222 179.767 177.584 -0.066 0.000 1.169 327 A CA 1.529 53.537 52.037 -0.049 0.000 0.635 327 A CB -0.389 18.581 19.000 -0.050 0.000 0.810 327 A HN 0.407 nan 8.150 nan 0.000 0.446 328 M N -0.811 118.764 119.600 -0.042 0.000 2.319 328 M HA -0.081 4.398 4.480 -0.001 0.000 0.265 328 M C 1.504 177.772 176.300 -0.054 0.000 1.068 328 M CA 1.073 56.349 55.300 -0.041 0.000 1.118 328 M CB -0.099 32.491 32.600 -0.017 0.000 1.395 328 M HN 0.258 nan 8.290 nan 0.000 0.435 329 K N -0.282 120.091 120.400 -0.045 0.000 2.243 329 K HA 0.118 4.437 4.320 -0.001 0.000 0.201 329 K C 1.734 178.062 176.600 -0.453 0.000 1.051 329 K CA 1.036 57.288 56.287 -0.058 0.000 0.970 329 K CB -0.368 32.260 32.500 0.214 0.000 0.755 329 K HN 0.223 nan 8.250 nan 0.000 0.465 330 A N 2.099 124.656 122.820 -0.439 0.000 2.167 330 A HA -0.100 4.219 4.320 -0.001 0.000 0.214 330 A C 1.257 178.668 177.584 -0.288 0.000 1.151 330 A CA 1.438 53.161 52.037 -0.523 0.000 0.735 330 A CB -0.441 18.406 19.000 -0.256 0.000 0.802 330 A HN 0.475 nan 8.150 nan 0.000 0.467 331 K N -2.394 117.890 120.400 -0.194 0.000 3.512 331 K HA -0.207 4.113 4.320 -0.001 0.000 0.309 331 K C -0.032 176.512 176.600 -0.092 0.000 1.350 331 K CA 0.983 57.199 56.287 -0.119 0.000 0.960 331 K CB -3.089 29.347 32.500 -0.107 0.000 1.290 331 K HN 1.040 nan 8.250 nan 0.000 0.454 332 C N 1.098 120.339 119.300 -0.098 0.000 2.399 332 C HA 0.717 5.177 4.460 -0.001 0.000 0.348 332 C C 0.551 175.493 174.990 -0.080 0.000 1.183 332 C CA -0.545 58.425 59.018 -0.081 0.000 2.023 332 C CB 1.641 29.334 27.740 -0.078 0.000 2.361 332 C HN 0.521 nan 8.230 nan 0.000 0.521 333 K N 2.083 122.433 120.400 -0.083 0.000 2.168 333 K HA 0.555 4.875 4.320 -0.001 0.000 0.258 333 K C -1.022 175.501 176.600 -0.130 0.000 1.010 333 K CA -0.418 55.815 56.287 -0.091 0.000 0.929 333 K CB 0.687 33.138 32.500 -0.081 0.000 0.998 333 K HN 0.754 nan 8.250 nan 0.000 0.479 334 L N 3.987 125.140 121.223 -0.117 0.000 2.376 334 L HA 0.421 4.760 4.340 -0.001 0.000 0.275 334 L C -1.273 175.518 176.870 -0.131 0.000 0.987 334 L CA -0.068 54.692 54.840 -0.135 0.000 0.828 334 L CB 1.222 43.233 42.059 -0.080 0.000 1.249 334 L HN 1.008 nan 8.230 nan 0.000 0.409 335 T N 2.710 117.149 114.554 -0.192 0.000 2.824 335 T HA 0.728 5.077 4.350 -0.001 0.000 0.282 335 T C -0.155 174.519 174.700 -0.043 0.000 0.993 335 T CA -0.609 61.428 62.100 -0.105 0.000 0.967 335 T CB 1.768 70.584 68.868 -0.087 0.000 0.960 335 T HN 0.319 nan 8.240 nan 0.000 0.441 336 I N 2.725 123.295 120.570 -0.001 0.000 2.488 336 I HA 0.426 4.595 4.170 -0.001 0.000 0.299 336 I C 1.439 177.582 176.117 0.042 0.000 0.984 336 I CA -0.704 60.612 61.300 0.027 0.000 1.250 336 I CB 1.148 39.157 38.000 0.015 0.000 1.389 336 I HN 1.041 nan 8.210 nan 0.000 0.488 350 D N 2.270 122.684 120.400 0.023 0.000 2.403 350 D HA -0.031 4.609 4.640 -0.001 0.000 0.260 350 D C 0.220 176.524 176.300 0.007 0.000 1.243 350 D CA 0.346 54.366 54.000 0.034 0.000 0.918 350 D CB 0.370 41.212 40.800 0.070 0.000 0.939 350 D HN 0.663 nan 8.370 nan 0.000 0.507 351 E N -0.325 119.839 120.200 -0.061 0.000 2.472 351 E HA 0.086 4.435 4.350 -0.001 0.000 0.196 351 E C 0.154 176.491 176.600 -0.439 0.000 1.033 351 E CA 0.137 56.447 56.400 -0.150 0.000 0.886 351 E CB 0.091 29.706 29.700 -0.143 0.000 0.944 351 E HN 0.489 nan 8.360 nan 0.000 0.492 352 M N -0.299 119.106 119.600 -0.326 0.000 2.395 352 M HA 0.531 5.010 4.480 -0.001 0.000 0.307 352 M C -0.880 175.338 176.300 -0.136 0.000 1.091 352 M CA -1.024 54.021 55.300 -0.426 0.000 0.919 352 M CB 2.250 34.703 32.600 -0.245 0.000 1.662 352 M HN -0.345 nan 8.290 nan 0.000 0.440 353 E N 2.331 122.526 120.200 -0.008 0.000 2.171 353 E HA 0.649 4.998 4.350 -0.001 0.000 0.271 353 E C -1.686 175.163 176.600 0.414 0.000 0.916 353 E CA -0.415 56.175 56.400 0.316 0.000 0.774 353 E CB 1.288 31.371 29.700 0.639 0.000 1.128 353 E HN 0.837 nan 8.360 nan 0.000 0.403 354 I N 4.566 125.332 120.570 0.327 0.000 2.291 354 I HA 0.441 4.610 4.170 -0.001 0.000 0.290 354 I C 0.745 177.020 176.117 0.263 0.000 1.050 354 I CA -0.321 61.161 61.300 0.303 0.000 1.245 354 I CB 1.049 39.189 38.000 0.234 0.000 1.405 354 I HN 0.559 nan 8.210 nan 0.000 0.478 355 G N 5.505 114.494 108.800 0.316 0.000 3.008 355 G HA2 0.662 4.622 3.960 -0.001 0.000 0.181 355 G HA3 0.662 4.622 3.960 -0.001 0.000 0.181 355 G C -1.381 173.534 174.900 0.024 0.000 1.309 355 G CA -0.343 44.696 45.100 -0.102 0.000 1.009 355 G HN 0.566 nan 8.290 nan 0.000 0.584 356 Y N -1.383 118.738 120.300 -0.297 0.000 2.581 356 Y HA 0.709 5.258 4.550 -0.002 0.000 0.337 356 Y C -0.743 175.130 175.900 -0.044 0.000 1.108 356 Y CA -1.768 56.262 58.100 -0.117 0.000 1.033 356 Y CB 1.037 39.440 38.460 -0.096 0.000 1.318 356 Y HN 0.731 nan 8.280 nan 0.000 0.459 357 I N 0.876 121.580 120.570 0.222 0.000 2.648 357 I HA 0.747 4.916 4.170 -0.001 0.000 0.304 357 I C -1.148 175.190 176.117 0.368 0.000 1.009 357 I CA -1.044 60.386 61.300 0.216 0.000 1.114 357 I CB 2.275 40.424 38.000 0.249 0.000 1.293 357 I HN 0.870 nan 8.210 nan 0.000 0.449 358 Q N 3.979 124.045 119.800 0.443 0.000 2.268 358 Q HA 0.754 5.093 4.340 -0.001 0.000 0.266 358 Q C -2.128 174.283 176.000 0.685 0.000 1.006 358 Q CA -0.675 55.458 55.803 0.549 0.000 0.824 358 Q CB 2.279 31.448 28.738 0.718 0.000 1.306 358 Q HN 1.043 nan 8.270 nan 0.000 0.424 359 A N 4.264 127.291 122.820 0.345 0.000 2.454 359 A HA 0.694 5.013 4.320 -0.001 0.000 0.302 359 A C -2.395 175.249 177.584 0.099 0.000 1.079 359 A CA -1.691 50.458 52.037 0.186 0.000 0.731 359 A CB 1.335 20.290 19.000 -0.074 0.000 1.299 359 A HN 0.677 nan 8.150 nan 0.000 0.413 360 P HA -0.256 nan 4.420 nan 0.000 0.218 360 P C 0.953 178.339 177.300 0.143 0.000 1.150 360 P CA 2.239 65.419 63.100 0.133 0.000 0.841 360 P CB -0.094 31.594 31.700 -0.021 0.000 0.784 361 H N -3.157 115.961 119.070 0.081 0.000 2.486 361 H HA 0.266 4.821 4.556 -0.002 0.000 0.287 361 H C 0.604 175.985 175.328 0.087 0.000 1.010 361 H CA 0.651 56.743 56.048 0.073 0.000 1.324 361 H CB 0.277 30.075 29.762 0.060 0.000 1.446 361 H HN -0.065 nan 8.280 nan 0.000 0.537 362 K N 1.637 121.792 120.400 -0.407 0.000 2.525 362 K HA 0.206 4.525 4.320 -0.001 0.000 0.254 362 K C -0.960 175.594 176.600 -0.076 0.000 0.934 362 K CA -0.247 55.931 56.287 -0.182 0.000 0.802 362 K CB 3.115 35.520 32.500 -0.158 0.000 1.295 362 K HN 0.389 nan 8.250 nan 0.000 0.433 363 T N 1.102 115.665 114.554 0.015 0.000 2.925 363 T HA 0.760 5.109 4.350 -0.001 0.000 0.285 363 T C -0.658 174.063 174.700 0.035 0.000 1.021 363 T CA -0.738 61.405 62.100 0.071 0.000 1.042 363 T CB 0.937 69.852 68.868 0.077 0.000 1.037 363 T HN 0.494 nan 8.240 nan 0.000 0.481 364 L N 3.311 124.572 121.223 0.063 0.000 2.580 364 L HA 0.472 4.811 4.340 -0.001 0.000 0.266 364 L C -2.818 174.048 176.870 -0.007 0.000 0.955 364 L CA -2.202 52.642 54.840 0.008 0.000 0.886 364 L CB 2.592 44.670 42.059 0.031 0.000 1.263 364 L HN 0.535 nan 8.230 nan 0.000 0.406 365 P HA 0.147 nan 4.420 nan 0.000 0.265 365 P C -1.298 175.813 177.300 -0.315 0.000 1.193 365 P CA -0.006 62.920 63.100 -0.290 0.000 0.765 365 P CB 0.967 32.254 31.700 -0.688 0.000 0.823 366 V N 4.232 124.095 119.914 -0.085 0.000 2.686 366 V HA 0.249 4.368 4.120 -0.001 0.000 0.306 366 V C -0.053 176.137 176.094 0.161 0.000 1.065 366 V CA -0.734 61.593 62.300 0.044 0.000 0.894 366 V CB 2.457 34.442 31.823 0.270 0.000 1.004 366 V HN 0.183 nan 8.190 nan 0.000 0.424 367 V N 4.927 124.844 119.914 0.006 0.000 2.481 367 V HA 0.410 4.530 4.120 -0.001 0.000 0.286 367 V C -0.417 175.722 176.094 0.074 0.000 1.042 367 V CA -0.373 61.965 62.300 0.064 0.000 0.928 367 V CB 1.632 33.382 31.823 -0.122 0.000 0.986 367 V HN 0.725 nan 8.190 nan 0.000 0.462 368 F N 5.878 125.764 119.950 -0.106 0.000 2.387 368 F HA 0.391 4.918 4.527 -0.001 0.000 0.332 368 F C 0.474 175.993 175.800 -0.468 0.000 1.174 368 F CA -2.385 55.427 58.000 -0.314 0.000 1.257 368 F CB -0.251 38.474 39.000 -0.457 0.000 1.569 368 F HN 0.754 nan 8.300 nan 0.000 0.554 369 D N 0.494 120.841 120.400 -0.088 0.000 2.414 369 D HA 0.516 5.155 4.640 -0.001 0.000 0.251 369 D C -0.284 175.818 176.300 -0.331 0.000 1.252 369 D CA -0.290 53.535 54.000 -0.292 0.000 0.999 369 D CB 1.044 41.811 40.800 -0.056 0.000 1.093 369 D HN 0.156 nan 8.370 nan 0.000 0.515 389 F N 0.994 120.965 119.950 0.035 0.000 2.507 389 F HA 0.581 5.108 4.527 -0.001 0.000 0.328 389 F C 1.099 176.873 175.800 -0.043 0.000 1.136 389 F CA -0.449 57.523 58.000 -0.046 0.000 0.930 389 F CB 1.986 40.905 39.000 -0.135 0.000 1.166 389 F HN 0.016 nan 8.300 nan 0.000 0.436 390 G N 2.024 110.827 108.800 0.005 0.000 2.563 390 G HA2 0.400 4.359 3.960 -0.001 0.000 0.283 390 G HA3 0.400 4.359 3.960 -0.001 0.000 0.283 390 G C -1.988 172.873 174.900 -0.064 0.000 1.309 390 G CA -0.176 44.976 45.100 0.085 0.000 1.022 390 G HN 0.574 nan 8.290 nan 0.000 0.501 391 Y N -1.616 118.764 120.300 0.133 0.000 2.314 391 Y HA 0.340 4.889 4.550 -0.001 0.000 0.317 391 Y C -0.343 175.571 175.900 0.023 0.000 1.234 391 Y CA -0.798 57.349 58.100 0.078 0.000 1.111 391 Y CB 2.050 40.550 38.460 0.067 0.000 1.283 391 Y HN 0.487 nan 8.280 nan 0.000 0.418 392 V N 0.461 120.419 119.914 0.074 0.000 2.864 392 V HA 0.746 4.865 4.120 -0.001 0.000 0.314 392 V C -0.262 175.842 176.094 0.016 0.000 1.073 392 V CA -0.911 61.324 62.300 -0.109 0.000 0.956 392 V CB 1.954 33.380 31.823 -0.662 0.000 1.023 392 V HN 0.775 nan 8.190 nan 0.000 0.435 393 T N 1.120 115.671 114.554 -0.005 0.000 3.866 393 T HA 0.297 4.646 4.350 -0.001 0.000 0.241 393 T C -0.015 174.702 174.700 0.028 0.000 1.017 393 T CA -0.477 61.655 62.100 0.055 0.000 1.300 393 T CB -0.085 68.785 68.868 0.004 0.000 0.968 393 T HN 0.617 nan 8.240 nan 0.000 0.595 394 R N 1.554 122.086 120.500 0.054 0.000 2.734 394 R HA 0.643 4.982 4.340 -0.001 0.000 0.266 394 R C 0.837 177.157 176.300 0.034 0.000 1.044 394 R CA 1.244 57.322 56.100 -0.035 0.000 1.128 394 R CB 0.012 30.153 30.300 -0.265 0.000 1.010 394 R HN 0.682 nan 8.270 nan 0.000 0.461 404 L N 0.636 121.945 121.223 0.144 0.000 2.141 404 L HA 0.003 4.342 4.340 -0.001 0.000 0.209 404 L C 1.633 178.548 176.870 0.075 0.000 1.094 404 L CA 0.952 55.867 54.840 0.125 0.000 0.763 404 L CB 0.143 42.266 42.059 0.107 0.000 0.908 404 L HN 0.475 nan 8.230 nan 0.000 0.437 405 D N 0.555 120.995 120.400 0.066 0.000 2.870 405 D HA 0.035 4.674 4.640 -0.001 0.000 0.241 405 D C 0.336 176.646 176.300 0.017 0.000 1.234 405 D CA 0.032 54.053 54.000 0.035 0.000 0.844 405 D CB 0.025 40.857 40.800 0.054 0.000 1.051 405 D HN 0.228 nan 8.370 nan 0.000 0.469 406 S N -1.816 113.877 115.700 -0.011 0.000 2.732 406 S HA 0.410 4.879 4.470 -0.001 0.000 0.293 406 S C 0.406 174.981 174.600 -0.043 0.000 1.159 406 S CA -0.787 57.449 58.200 0.061 0.000 0.847 406 S CB 0.343 63.592 63.200 0.082 0.000 1.169 406 S HN 0.028 nan 8.310 nan 0.000 0.501 407 F N 0.355 120.186 119.950 -0.198 0.000 2.797 407 F HA 0.300 4.826 4.527 -0.001 0.000 0.302 407 F C 2.237 177.939 175.800 -0.164 0.000 1.130 407 F CA -0.019 57.880 58.000 -0.168 0.000 1.387 407 F CB 0.123 39.028 39.000 -0.158 0.000 1.107 407 F HN 0.822 nan 8.300 nan 0.000 0.577 408 G N -0.508 108.197 108.800 -0.159 0.000 2.683 408 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.213 408 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.213 408 G C 1.228 175.820 174.900 -0.512 0.000 1.142 408 G CA 0.132 45.043 45.100 -0.316 0.000 0.793 408 G HN 0.168 nan 8.290 nan 0.000 0.534 409 N N -0.170 118.202 118.700 -0.547 0.000 2.370 409 N HA 0.125 4.864 4.740 -0.001 0.000 0.198 409 N C -0.537 174.948 175.510 -0.043 0.000 1.156 409 N CA -0.175 52.742 53.050 -0.221 0.000 0.839 409 N CB -0.025 38.400 38.487 -0.102 0.000 0.989 409 N HN 0.114 nan 8.380 nan 0.000 0.468 410 L N 0.979 122.173 121.223 -0.047 0.000 2.319 410 L HA 0.461 4.800 4.340 -0.001 0.000 0.281 410 L C -0.674 176.240 176.870 0.073 0.000 1.005 410 L CA -0.285 54.570 54.840 0.026 0.000 0.828 410 L CB 1.185 43.214 42.059 -0.051 0.000 1.227 410 L HN -0.063 nan 8.230 nan 0.000 0.415 411 E N 3.056 123.312 120.200 0.093 0.000 2.370 411 E HA 0.723 5.072 4.350 -0.001 0.000 0.259 411 E C -1.253 175.402 176.600 0.091 0.000 0.947 411 E CA -0.716 55.743 56.400 0.098 0.000 0.809 411 E CB 2.316 32.076 29.700 0.100 0.000 1.300 411 E HN 0.215 nan 8.360 nan 0.000 0.419 412 V N 0.372 120.323 119.914 0.061 0.000 2.588 412 V HA 0.338 4.457 4.120 -0.001 0.000 0.304 412 V C 0.459 176.470 176.094 -0.139 0.000 1.042 412 V CA -1.141 61.151 62.300 -0.013 0.000 0.877 412 V CB 1.346 33.153 31.823 -0.026 0.000 0.996 412 V HN 0.762 nan 8.190 nan 0.000 0.425 413 S N 5.040 120.606 115.700 -0.223 0.000 2.572 413 S HA 0.362 4.831 4.470 -0.001 0.000 0.267 413 S C -2.250 171.950 174.600 -0.667 0.000 1.361 413 S CA -0.348 57.475 58.200 -0.629 0.000 1.009 413 S CB 0.611 63.543 63.200 -0.445 0.000 0.888 413 S HN 0.618 nan 8.310 nan 0.000 0.553 414 P HA 0.427 nan 4.420 nan 0.000 0.279 414 P C -2.709 174.338 177.300 -0.421 0.000 1.276 414 P CA -1.902 60.852 63.100 -0.577 0.000 0.801 414 P CB -0.618 30.626 31.700 -0.761 0.000 1.127 415 P HA 0.016 nan 4.420 nan 0.000 0.262 415 P C -0.586 176.643 177.300 -0.119 0.000 1.182 415 P CA 0.885 63.866 63.100 -0.198 0.000 0.761 415 P CB 0.183 31.790 31.700 -0.155 0.000 0.795 416 V N 3.573 123.447 119.914 -0.067 0.000 3.188 416 V HA 0.588 4.707 4.120 -0.001 0.000 0.305 416 V C -0.997 175.155 176.094 0.096 0.000 1.232 416 V CA -0.340 61.982 62.300 0.036 0.000 1.043 416 V CB 2.874 34.698 31.823 0.002 0.000 1.068 416 V HN 0.438 nan 8.190 nan 0.000 0.439 417 T N 3.108 117.722 114.554 0.100 0.000 2.861 417 T HA 0.707 5.056 4.350 -0.001 0.000 0.287 417 T C -1.268 173.491 174.700 0.098 0.000 1.003 417 T CA -0.367 61.779 62.100 0.075 0.000 0.977 417 T CB 1.557 70.438 68.868 0.021 0.000 0.996 417 T HN 0.621 nan 8.240 nan 0.000 0.448 418 V N 4.260 124.237 119.914 0.106 0.000 2.498 418 V HA 0.442 4.561 4.120 -0.001 0.000 0.283 418 V C 0.175 176.307 176.094 0.063 0.000 1.015 418 V CA -1.053 61.313 62.300 0.111 0.000 0.867 418 V CB 1.074 33.013 31.823 0.192 0.000 1.025 418 V HN 0.943 nan 8.190 nan 0.000 0.441 419 R N 3.571 124.092 120.500 0.035 0.000 3.251 419 R HA -0.246 4.093 4.340 -0.001 0.000 0.249 419 R C 1.351 177.652 176.300 0.001 0.000 0.949 419 R CA 1.095 57.205 56.100 0.016 0.000 0.645 419 R CB -1.277 29.032 30.300 0.016 0.000 1.065 419 R HN 1.573 nan 8.270 nan 0.000 0.452 420 G N -0.289 108.507 108.800 -0.007 0.000 4.677 420 G HA2 -0.414 3.545 3.960 -0.001 0.000 0.215 420 G HA3 -0.414 3.545 3.960 -0.001 0.000 0.215 420 G C 0.106 174.967 174.900 -0.064 0.000 1.506 420 G CA 0.198 45.281 45.100 -0.030 0.000 1.016 420 G HN 0.401 nan 8.290 nan 0.000 0.653 421 K N 2.514 122.862 120.400 -0.086 0.000 2.511 421 K HA 0.168 4.487 4.320 -0.001 0.000 0.277 421 K C 0.244 176.656 176.600 -0.314 0.000 1.025 421 K CA 0.828 56.991 56.287 -0.207 0.000 1.112 421 K CB 0.149 32.520 32.500 -0.215 0.000 0.859 421 K HN 0.563 nan 8.250 nan 0.000 0.485 422 E N 3.937 123.896 120.200 -0.402 0.000 2.191 422 E HA 0.128 4.478 4.350 -0.001 0.000 0.278 422 E C -1.440 174.801 176.600 -0.598 0.000 0.972 422 E CA -0.668 55.513 56.400 -0.366 0.000 0.804 422 E CB 0.654 30.205 29.700 -0.248 0.000 1.110 422 E HN 0.483 nan 8.360 nan 0.000 0.394 423 Y N 4.967 125.130 120.300 -0.228 0.000 2.837 423 Y HA 0.260 4.811 4.550 0.001 0.000 0.356 423 Y C -1.947 173.715 175.900 -0.395 0.000 1.035 423 Y CA -1.873 56.064 58.100 -0.272 0.000 1.165 423 Y CB 1.453 39.790 38.460 -0.205 0.000 1.147 423 Y HN 0.598 nan 8.280 nan 0.000 0.628 424 P HA -0.050 nan 4.420 nan 0.000 0.225 424 P C 0.639 177.409 177.300 -0.883 0.000 1.156 424 P CA 1.210 63.856 63.100 -0.756 0.000 0.787 424 P CB 0.463 31.266 31.700 -1.495 0.000 0.802 425 L N -1.734 119.043 121.223 -0.743 0.000 2.791 425 L HA 0.411 4.750 4.340 -0.001 0.000 0.239 425 L C 1.078 177.638 176.870 -0.517 0.000 1.203 425 L CA -0.285 53.960 54.840 -0.992 0.000 1.002 425 L CB -0.821 40.967 42.059 -0.451 0.000 1.295 425 L HN 0.058 nan 8.230 nan 0.000 0.504 426 G N 1.400 109.975 108.800 -0.376 0.000 2.693 426 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.226 426 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.226 426 G C -0.404 174.385 174.900 -0.184 0.000 1.354 426 G CA -0.481 44.485 45.100 -0.224 0.000 0.873 426 G HN 0.369 nan 8.290 nan 0.000 0.562 427 R N -0.958 119.416 120.500 -0.209 0.000 2.518 427 R HA 0.503 4.842 4.340 -0.001 0.000 0.287 427 R C -0.037 176.186 176.300 -0.128 0.000 1.135 427 R CA -0.839 55.124 56.100 -0.228 0.000 0.967 427 R CB 0.712 30.758 30.300 -0.424 0.000 1.212 427 R HN 0.617 nan 8.270 nan 0.000 0.422 428 I N 5.312 125.850 120.570 -0.054 0.000 2.598 428 I HA 0.022 4.191 4.170 -0.001 0.000 0.284 428 I C -0.347 175.836 176.117 0.109 0.000 1.140 428 I CA 0.007 61.329 61.300 0.037 0.000 1.420 428 I CB 0.442 38.481 38.000 0.066 0.000 1.387 428 I HN 0.337 nan 8.210 nan 0.000 0.553 429 L N 8.564 129.862 121.223 0.124 0.000 2.307 429 L HA 0.547 4.886 4.340 -0.001 0.000 0.284 429 L C -0.385 176.625 176.870 0.234 0.000 1.023 429 L CA -0.417 54.501 54.840 0.131 0.000 0.810 429 L CB 0.840 42.955 42.059 0.094 0.000 1.231 429 L HN 0.415 nan 8.230 nan 0.000 0.423 430 F N -0.489 119.479 119.950 0.030 0.000 2.631 430 F HA 0.874 5.400 4.527 -0.002 0.000 0.308 430 F C 0.193 176.036 175.800 0.071 0.000 1.097 430 F CA -1.127 56.884 58.000 0.019 0.000 0.952 430 F CB 1.579 40.568 39.000 -0.019 0.000 1.307 430 F HN 0.509 nan 8.300 nan 0.000 0.450 431 G N 1.635 110.474 108.800 0.066 0.000 2.356 431 G HA2 0.505 4.464 3.960 -0.001 0.000 0.298 431 G HA3 0.505 4.464 3.960 -0.001 0.000 0.298 431 G C -1.334 173.598 174.900 0.053 0.000 1.145 431 G CA -0.082 45.046 45.100 0.047 0.000 0.850 431 G HN 1.018 nan 8.290 nan 0.000 0.487 432 D N -0.275 120.153 120.400 0.046 0.000 3.402 432 D HA 0.420 5.059 4.640 -0.001 0.000 0.287 432 D C 0.417 176.845 176.300 0.214 0.000 1.365 432 D CA -0.260 53.809 54.000 0.115 0.000 1.012 432 D CB 0.315 41.171 40.800 0.094 0.000 1.325 432 D HN 0.355 nan 8.370 nan 0.000 0.627 433 S N -1.195 114.588 115.700 0.138 0.000 2.590 433 S HA 0.420 4.890 4.470 -0.001 0.000 0.282 433 S C 0.949 175.501 174.600 -0.081 0.000 1.136 433 S CA -0.468 57.796 58.200 0.107 0.000 1.030 433 S CB 0.722 63.903 63.200 -0.033 0.000 1.195 433 S HN 0.708 nan 8.310 nan 0.000 0.506 434 C N -0.628 118.489 119.300 -0.306 0.000 2.598 434 C HA 0.376 4.835 4.460 -0.001 0.000 0.291 434 C C 0.604 175.571 174.990 -0.038 0.000 1.437 434 C CA -0.191 58.652 59.018 -0.292 0.000 1.864 434 C CB -0.821 26.597 27.740 -0.537 0.000 2.068 434 C HN 0.854 nan 8.230 nan 0.000 0.618 435 Y N 1.580 121.785 120.300 -0.159 0.000 2.567 435 Y HA 0.783 5.332 4.550 -0.002 0.000 0.333 435 Y C -2.916 172.955 175.900 -0.049 0.000 1.106 435 Y CA -3.047 55.003 58.100 -0.084 0.000 1.157 435 Y CB -0.298 38.109 38.460 -0.088 0.000 1.277 435 Y HN 0.020 nan 8.280 nan 0.000 0.490 436 P HA 0.478 nan 4.420 nan 0.000 0.292 436 P C -1.141 176.112 177.300 -0.078 0.000 1.283 436 P CA -0.357 62.695 63.100 -0.079 0.000 0.835 436 P CB 2.068 33.773 31.700 0.008 0.000 1.017 437 S N 1.008 116.627 115.700 -0.135 0.000 2.638 437 S HA 0.245 4.714 4.470 -0.001 0.000 0.274 437 S C 1.111 175.671 174.600 -0.067 0.000 1.157 437 S CA -0.669 57.469 58.200 -0.103 0.000 0.826 437 S CB 1.125 64.192 63.200 -0.221 0.000 1.139 437 S HN 0.374 nan 8.310 nan 0.000 0.474 438 N N 1.347 120.022 118.700 -0.042 0.000 2.184 438 N HA -0.164 4.575 4.740 -0.001 0.000 0.190 438 N C 0.315 175.784 175.510 -0.069 0.000 1.011 438 N CA 1.949 54.975 53.050 -0.041 0.000 0.867 438 N CB -0.190 38.279 38.487 -0.030 0.000 0.993 438 N HN 0.572 nan 8.380 nan 0.000 0.433 439 D N -0.512 119.830 120.400 -0.097 0.000 2.423 439 D HA 0.092 4.731 4.640 -0.001 0.000 0.212 439 D C 0.079 176.306 176.300 -0.122 0.000 1.060 439 D CA -0.087 53.834 54.000 -0.131 0.000 0.872 439 D CB 0.123 40.828 40.800 -0.157 0.000 1.012 439 D HN -0.075 nan 8.370 nan 0.000 0.503 440 S N 1.749 117.376 115.700 -0.122 0.000 2.599 440 S HA 0.018 4.487 4.470 -0.001 0.000 0.303 440 S C 0.478 175.048 174.600 -0.051 0.000 1.267 440 S CA 0.132 58.274 58.200 -0.097 0.000 1.055 440 S CB 0.436 63.561 63.200 -0.125 0.000 0.790 440 S HN 0.173 nan 8.310 nan 0.000 0.500 441 R N 1.623 122.111 120.500 -0.020 0.000 2.856 441 R HA 0.678 5.017 4.340 -0.001 0.000 0.258 441 R C -0.437 175.886 176.300 0.039 0.000 1.066 441 R CA -1.032 55.073 56.100 0.008 0.000 1.045 441 R CB 1.043 31.350 30.300 0.011 0.000 1.178 441 R HN 0.831 nan 8.270 nan 0.000 0.499 442 Q N 0.154 119.992 119.800 0.063 0.000 2.633 442 Q HA 0.359 4.699 4.340 -0.001 0.000 0.289 442 Q C -1.279 174.788 176.000 0.112 0.000 0.940 442 Q CA -0.912 54.949 55.803 0.097 0.000 0.785 442 Q CB 1.748 30.537 28.738 0.085 0.000 1.467 442 Q HN 0.587 nan 8.270 nan 0.000 0.401 443 M N 1.951 121.641 119.600 0.150 0.000 2.241 443 M HA 0.259 4.739 4.480 -0.001 0.000 0.335 443 M C -0.422 175.921 176.300 0.072 0.000 1.122 443 M CA -0.318 55.040 55.300 0.097 0.000 1.164 443 M CB 0.634 33.278 32.600 0.074 0.000 1.459 443 M HN 0.959 nan 8.290 nan 0.000 0.461 444 H N 2.316 121.367 119.070 -0.031 0.000 2.790 444 H HA 0.015 4.570 4.556 -0.001 0.000 0.358 444 H C 0.451 175.764 175.328 -0.025 0.000 1.103 444 H CA 0.649 56.684 56.048 -0.022 0.000 1.426 444 H CB 0.975 30.719 29.762 -0.030 0.000 1.424 444 H HN 0.774 nan 8.280 nan 0.000 0.599 445 Q N 3.757 123.148 119.800 -0.682 0.000 2.224 445 Q HA -0.003 4.336 4.340 -0.001 0.000 0.203 445 Q C 1.756 177.535 176.000 -0.367 0.000 0.970 445 Q CA 1.669 57.242 55.803 -0.383 0.000 0.865 445 Q CB -0.293 28.292 28.738 -0.254 0.000 0.922 445 Q HN 0.772 nan 8.270 nan 0.000 0.445 446 A N -0.371 122.090 122.820 -0.597 0.000 2.119 446 A HA -0.003 4.316 4.320 -0.001 0.000 0.217 446 A C 1.897 179.462 177.584 -0.031 0.000 1.153 446 A CA 0.671 52.596 52.037 -0.187 0.000 0.692 446 A CB -0.379 18.608 19.000 -0.022 0.000 0.799 446 A HN 0.473 nan 8.150 nan 0.000 0.458 447 L N -1.272 119.907 121.223 -0.073 0.000 2.130 447 L HA -0.123 4.217 4.340 -0.001 0.000 0.200 447 L C 2.777 179.595 176.870 -0.087 0.000 1.075 447 L CA 0.903 55.717 54.840 -0.043 0.000 0.768 447 L CB -0.366 41.592 42.059 -0.170 0.000 0.933 447 L HN 0.426 nan 8.230 nan 0.000 0.451 448 Q N -0.017 119.645 119.800 -0.231 0.000 2.029 448 Q HA -0.296 4.043 4.340 -0.001 0.000 0.209 448 Q C 1.752 177.670 176.000 -0.137 0.000 0.999 448 Q CA 2.219 57.834 55.803 -0.313 0.000 0.857 448 Q CB -0.340 28.278 28.738 -0.201 0.000 0.926 448 Q HN 0.503 nan 8.270 nan 0.000 0.415 449 D N 0.005 120.370 120.400 -0.058 0.000 2.133 449 D HA -0.170 4.470 4.640 -0.001 0.000 0.195 449 D C 1.546 177.870 176.300 0.040 0.000 0.997 449 D CA 0.946 54.945 54.000 -0.002 0.000 0.840 449 D CB -0.383 40.426 40.800 0.015 0.000 0.947 449 D HN 0.199 nan 8.370 nan 0.000 0.452 450 F N 1.002 120.916 119.950 -0.060 0.000 2.186 450 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 450 F C 1.989 177.765 175.800 -0.040 0.000 1.090 450 F CA 0.931 58.909 58.000 -0.037 0.000 1.307 450 F CB -0.185 38.801 39.000 -0.024 0.000 1.019 450 F HN -0.115 nan 8.300 nan 0.000 0.489 451 L N -0.639 120.518 121.223 -0.110 0.000 2.027 451 L HA -0.200 4.140 4.340 -0.001 0.000 0.206 451 L C 2.649 179.412 176.870 -0.179 0.000 1.074 451 L CA 1.407 56.141 54.840 -0.176 0.000 0.745 451 L CB -1.208 40.792 42.059 -0.098 0.000 0.898 451 L HN 0.024 nan 8.230 nan 0.000 0.433 452 S N -0.029 115.601 115.700 -0.117 0.000 2.372 452 S HA -0.285 4.184 4.470 -0.001 0.000 0.227 452 S C 2.134 176.676 174.600 -0.097 0.000 1.044 452 S CA 1.549 59.704 58.200 -0.076 0.000 1.050 452 S CB -0.400 62.779 63.200 -0.035 0.000 0.901 452 S HN 0.517 nan 8.310 nan 0.000 0.447 453 A N 0.942 123.687 122.820 -0.124 0.000 2.015 453 A HA -0.057 4.262 4.320 -0.001 0.000 0.219 453 A C 1.674 179.149 177.584 -0.181 0.000 1.163 453 A CA 0.885 52.848 52.037 -0.124 0.000 0.646 453 A CB -0.308 18.636 19.000 -0.093 0.000 0.806 453 A HN 0.416 nan 8.150 nan 0.000 0.448 454 Q N 0.534 120.164 119.800 -0.283 0.000 2.362 454 Q HA -0.128 4.212 4.340 -0.001 0.000 0.215 454 Q C 1.264 177.162 176.000 -0.170 0.000 0.944 454 Q CA 0.771 56.402 55.803 -0.287 0.000 0.964 454 Q CB -0.673 27.825 28.738 -0.399 0.000 0.998 454 Q HN 0.980 nan 8.270 nan 0.000 0.488 455 Q N -1.363 118.373 119.800 -0.107 0.000 2.587 455 Q HA -0.178 4.161 4.340 -0.001 0.000 0.220 455 Q C 1.167 177.120 176.000 -0.077 0.000 0.984 455 Q CA 1.286 57.041 55.803 -0.080 0.000 0.926 455 Q CB -0.688 28.012 28.738 -0.063 0.000 0.939 455 Q HN 0.175 nan 8.270 nan 0.000 0.527 456 V N -0.180 119.697 119.914 -0.062 0.000 3.421 456 V HA 0.065 4.185 4.120 -0.001 0.000 0.316 456 V C 0.299 176.371 176.094 -0.036 0.000 1.347 456 V CA 0.428 62.711 62.300 -0.029 0.000 1.183 456 V CB 0.067 31.945 31.823 0.092 0.000 1.092 456 V HN 0.407 nan 8.190 nan 0.000 0.433 457 Q N 0.690 120.463 119.800 -0.047 0.000 2.147 457 Q HA 0.469 4.808 4.340 -0.001 0.000 0.287 457 Q C 0.482 176.455 176.000 -0.045 0.000 0.863 457 Q CA 0.231 56.005 55.803 -0.048 0.000 1.073 457 Q CB 1.205 29.891 28.738 -0.086 0.000 1.298 457 Q HN 0.499 nan 8.270 nan 0.000 0.411 458 A N 2.457 125.272 122.820 -0.008 0.000 1.898 458 A HA -0.126 4.193 4.320 -0.001 0.000 0.338 458 A C -2.227 175.339 177.584 -0.030 0.000 0.853 458 A CA -0.273 51.761 52.037 -0.007 0.000 1.514 458 A CB -0.843 18.184 19.000 0.045 0.000 0.632 458 A HN 0.141 nan 8.150 nan 0.000 0.231 459 P HA 0.181 nan 4.420 nan 0.000 0.264 459 P C -0.304 177.073 177.300 0.130 0.000 1.179 459 P CA 0.107 63.289 63.100 0.138 0.000 0.763 459 P CB 0.623 32.451 31.700 0.213 0.000 0.806 460 V N 4.221 124.195 119.914 0.101 0.000 2.459 460 V HA 0.263 4.382 4.120 -0.001 0.000 0.295 460 V C 0.354 176.340 176.094 -0.180 0.000 1.029 460 V CA -0.609 61.686 62.300 -0.009 0.000 0.874 460 V CB 1.627 33.417 31.823 -0.055 0.000 0.985 460 V HN 0.398 nan 8.190 nan 0.000 0.438 461 K N 4.694 124.930 120.400 -0.274 0.000 2.258 461 K HA 0.585 4.905 4.320 -0.001 0.000 0.284 461 K C -0.741 175.738 176.600 -0.202 0.000 1.051 461 K CA -0.124 55.849 56.287 -0.523 0.000 0.923 461 K CB 0.847 33.148 32.500 -0.330 0.000 1.046 461 K HN 0.487 nan 8.250 nan 0.000 0.474 462 L N 2.164 123.291 121.223 -0.160 0.000 2.347 462 L HA 0.446 4.785 4.340 -0.001 0.000 0.268 462 L C -0.488 176.533 176.870 0.251 0.000 1.019 462 L CA -1.183 53.732 54.840 0.124 0.000 0.806 462 L CB 0.840 43.046 42.059 0.245 0.000 1.339 462 L HN 0.586 nan 8.230 nan 0.000 0.463 463 Y N 0.219 120.658 120.300 0.232 0.000 2.356 463 Y HA 0.218 4.767 4.550 -0.002 0.000 0.334 463 Y C 0.406 176.507 175.900 0.334 0.000 0.958 463 Y CA -0.493 57.748 58.100 0.236 0.000 1.196 463 Y CB 1.253 39.858 38.460 0.241 0.000 1.137 463 Y HN 0.616 nan 8.280 nan 0.000 0.485 464 S N 0.950 116.775 115.700 0.208 0.000 2.733 464 S HA 0.007 4.476 4.470 -0.001 0.000 0.247 464 S C 0.590 174.925 174.600 -0.442 0.000 1.043 464 S CA -0.070 58.047 58.200 -0.138 0.000 1.066 464 S CB 0.133 63.417 63.200 0.141 0.000 1.045 464 S HN 0.783 nan 8.310 nan 0.000 0.586 465 D N 1.978 122.303 120.400 -0.125 0.000 2.371 465 D HA -0.019 4.620 4.640 -0.001 0.000 0.221 465 D C 1.485 177.741 176.300 -0.074 0.000 0.986 465 D CA 0.859 54.855 54.000 -0.006 0.000 0.899 465 D CB -0.180 40.754 40.800 0.222 0.000 0.902 465 D HN 0.760 nan 8.370 nan 0.000 0.530 466 W N 0.083 121.228 121.300 -0.258 0.000 2.905 466 W HA 0.194 4.852 4.660 -0.002 0.000 0.251 466 W C -0.314 176.150 176.519 -0.092 0.000 1.305 466 W CA -0.338 56.898 57.345 -0.181 0.000 1.465 466 W CB -0.839 28.347 29.460 -0.456 0.000 1.122 466 W HN -0.146 nan 8.180 nan 0.000 0.659 467 L N 1.852 122.562 121.223 -0.854 0.000 2.312 467 L HA 0.143 4.483 4.340 -0.001 0.000 0.281 467 L C 2.105 178.822 176.870 -0.255 0.000 1.070 467 L CA -0.163 54.298 54.840 -0.632 0.000 0.805 467 L CB 1.551 43.086 42.059 -0.873 0.000 1.174 467 L HN -0.186 nan 8.230 nan 0.000 0.434 468 S N 1.948 117.583 115.700 -0.109 0.000 2.368 468 S HA -0.174 4.295 4.470 -0.001 0.000 0.226 468 S C 1.612 176.170 174.600 -0.069 0.000 1.044 468 S CA 2.074 60.256 58.200 -0.029 0.000 1.062 468 S CB 0.063 63.268 63.200 0.008 0.000 0.931 468 S HN 0.470 nan 8.310 nan 0.000 0.440 469 V N -0.040 119.792 119.914 -0.138 0.000 2.273 469 V HA 0.235 4.354 4.120 -0.001 0.000 0.242 469 V C 2.144 178.130 176.094 -0.180 0.000 1.035 469 V CA 1.538 63.717 62.300 -0.202 0.000 1.013 469 V CB -0.836 30.783 31.823 -0.339 0.000 0.652 469 V HN 0.794 nan 8.190 nan 0.000 0.452 470 G N -1.748 106.932 108.800 -0.200 0.000 2.205 470 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.180 470 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.180 470 G C 0.050 175.001 174.900 0.086 0.000 1.004 470 G CA -0.084 44.966 45.100 -0.084 0.000 0.670 470 G HN 0.593 nan 8.290 nan 0.000 0.496 471 H N 0.393 119.424 119.070 -0.066 0.000 2.652 471 H HA 0.348 4.903 4.556 -0.001 0.000 0.349 471 H C 1.870 177.174 175.328 -0.041 0.000 1.099 471 H CA -0.168 55.864 56.048 -0.027 0.000 1.417 471 H CB 2.077 31.832 29.762 -0.012 0.000 1.457 471 H HN 0.326 nan 8.280 nan 0.000 0.568 472 V N -0.122 119.824 119.914 0.053 0.000 3.026 472 V HA -0.180 3.939 4.120 -0.001 0.000 0.265 472 V C 1.351 177.177 176.094 -0.447 0.000 1.121 472 V CA 1.759 63.895 62.300 -0.274 0.000 1.142 472 V CB -0.118 31.535 31.823 -0.283 0.000 0.730 472 V HN 0.759 nan 8.190 nan 0.000 0.503 473 D N 0.709 121.037 120.400 -0.120 0.000 2.317 473 D HA -0.078 4.561 4.640 -0.001 0.000 0.211 473 D C 2.072 178.361 176.300 -0.019 0.000 0.966 473 D CA 0.929 54.885 54.000 -0.073 0.000 0.876 473 D CB 0.074 40.897 40.800 0.039 0.000 0.927 473 D HN 0.698 nan 8.370 nan 0.000 0.519 474 E N -0.938 119.283 120.200 0.034 0.000 2.347 474 E HA -0.116 4.233 4.350 -0.001 0.000 0.196 474 E C 1.184 177.957 176.600 0.289 0.000 1.008 474 E CA 0.560 57.042 56.400 0.136 0.000 0.852 474 E CB 0.037 29.796 29.700 0.098 0.000 0.783 474 E HN 0.452 nan 8.360 nan 0.000 0.505 475 F N -0.847 119.192 119.950 0.149 0.000 2.767 475 F HA 0.309 4.835 4.527 -0.002 0.000 0.323 475 F C -0.146 175.720 175.800 0.110 0.000 1.091 475 F CA -0.954 57.165 58.000 0.197 0.000 1.192 475 F CB 0.343 39.516 39.000 0.288 0.000 1.056 475 F HN -0.194 nan 8.300 nan 0.000 0.571 476 L N -1.315 119.745 121.223 -0.271 0.000 2.491 476 L HA 0.936 5.275 4.340 -0.001 0.000 0.254 476 L C -0.568 176.171 176.870 -0.219 0.000 1.048 476 L CA -1.009 53.678 54.840 -0.256 0.000 0.855 476 L CB 1.519 43.326 42.059 -0.419 0.000 1.466 476 L HN -0.076 nan 8.230 nan 0.000 0.409 477 S N -0.482 115.051 115.700 -0.278 0.000 2.611 477 S HA 0.817 5.286 4.470 -0.001 0.000 0.268 477 S C -2.051 172.329 174.600 -0.366 0.000 1.156 477 S CA -0.490 57.590 58.200 -0.201 0.000 0.817 477 S CB 0.780 63.953 63.200 -0.046 0.000 1.122 477 S HN 0.565 nan 8.310 nan 0.000 0.466 478 F N 1.596 121.567 119.950 0.035 0.000 2.520 478 F HA 0.679 5.205 4.527 -0.001 0.000 0.322 478 F C -0.093 175.751 175.800 0.074 0.000 1.103 478 F CA -0.623 57.413 58.000 0.060 0.000 0.926 478 F CB 2.212 41.214 39.000 0.002 0.000 1.154 478 F HN 0.488 nan 8.300 nan 0.000 0.453 479 V N 1.100 121.213 119.914 0.331 0.000 2.876 479 V HA 0.676 4.795 4.120 -0.001 0.000 0.312 479 V C -2.944 173.298 176.094 0.247 0.000 1.085 479 V CA -3.176 59.258 62.300 0.222 0.000 0.945 479 V CB 1.787 33.693 31.823 0.139 0.000 1.017 479 V HN 0.411 nan 8.190 nan 0.000 0.428 480 P HA 0.411 nan 4.420 nan 0.000 0.264 480 P C -0.393 176.983 177.300 0.126 0.000 1.193 480 P CA 0.644 63.837 63.100 0.155 0.000 0.763 480 P CB 0.696 32.460 31.700 0.107 0.000 0.810 481 A N 5.425 128.316 122.820 0.118 0.000 2.350 481 A HA 0.723 5.042 4.320 -0.001 0.000 0.318 481 A C -2.166 175.446 177.584 0.048 0.000 1.132 481 A CA -1.351 50.722 52.037 0.060 0.000 0.811 481 A CB 0.901 19.911 19.000 0.018 0.000 1.313 481 A HN 0.370 nan 8.150 nan 0.000 0.454 482 P HA 0.216 nan 4.420 nan 0.000 0.269 482 P C -0.828 176.479 177.300 0.012 0.000 1.478 482 P CA 0.238 63.353 63.100 0.025 0.000 1.045 482 P CB 0.247 31.960 31.700 0.022 0.000 1.512 483 D N -1.013 119.385 120.400 -0.003 0.000 3.438 483 D HA 0.127 4.766 4.640 -0.001 0.000 0.170 483 D C 0.262 176.540 176.300 -0.037 0.000 1.164 483 D CA -0.600 53.390 54.000 -0.016 0.000 1.482 483 D CB -0.350 40.437 40.800 -0.022 0.000 1.147 483 D HN -0.261 nan 8.370 nan 0.000 0.187 484 R N 1.113 121.574 120.500 -0.066 0.000 2.498 484 R HA 0.048 4.387 4.340 -0.001 0.000 0.334 484 R C -0.320 175.888 176.300 -0.153 0.000 1.106 484 R CA 0.507 56.553 56.100 -0.091 0.000 0.995 484 R CB -0.382 29.858 30.300 -0.100 0.000 0.989 484 R HN 0.461 nan 8.270 nan 0.000 0.455 485 K N 2.213 122.561 120.400 -0.087 0.000 3.575 485 K HA -0.208 4.111 4.320 -0.001 0.000 0.272 485 K C 0.671 177.295 176.600 0.040 0.000 1.019 485 K CA 1.148 57.401 56.287 -0.056 0.000 1.123 485 K CB -1.442 30.932 32.500 -0.210 0.000 1.364 485 K HN 0.955 nan 8.250 nan 0.000 0.482 486 G N 0.959 109.750 108.800 -0.015 0.000 2.137 486 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.237 486 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.237 486 G C -0.109 174.921 174.900 0.217 0.000 1.002 486 G CA 0.640 45.792 45.100 0.087 0.000 0.702 486 G HN 0.722 nan 8.290 nan 0.000 0.515 487 F N -2.519 117.469 119.950 0.063 0.000 2.741 487 F HA 0.920 5.445 4.527 -0.002 0.000 0.313 487 F C -0.863 175.010 175.800 0.122 0.000 1.153 487 F CA -2.255 55.804 58.000 0.099 0.000 0.931 487 F CB 1.055 40.115 39.000 0.101 0.000 1.335 487 F HN 0.108 nan 8.300 nan 0.000 0.460 488 R N 1.907 122.613 120.500 0.343 0.000 2.575 488 R HA 0.469 4.808 4.340 -0.001 0.000 0.293 488 R C -1.744 174.828 176.300 0.454 0.000 0.983 488 R CA -0.838 55.402 56.100 0.233 0.000 0.887 488 R CB 1.767 32.131 30.300 0.106 0.000 1.184 488 R HN 0.962 nan 8.270 nan 0.000 0.445 489 L N 6.243 127.698 121.223 0.386 0.000 2.325 489 L HA 0.352 4.691 4.340 -0.001 0.000 0.284 489 L C -0.971 175.871 176.870 -0.047 0.000 1.089 489 L CA -0.271 54.578 54.840 0.016 0.000 0.836 489 L CB 0.166 42.269 42.059 0.072 0.000 1.184 489 L HN 0.615 nan 8.230 nan 0.000 0.444 490 L N 6.470 127.630 121.223 -0.106 0.000 2.290 490 L HA 0.369 4.708 4.340 -0.001 0.000 0.284 490 L C -0.247 176.593 176.870 -0.049 0.000 1.078 490 L CA -0.281 54.535 54.840 -0.039 0.000 0.815 490 L CB 1.026 43.080 42.059 -0.008 0.000 1.162 490 L HN 0.558 nan 8.230 nan 0.000 0.435 491 L N 2.747 123.983 121.223 0.022 0.000 2.334 491 L HA 0.671 5.010 4.340 -0.001 0.000 0.273 491 L C 0.484 177.434 176.870 0.134 0.000 1.013 491 L CA -0.638 54.256 54.840 0.089 0.000 0.816 491 L CB 1.831 43.953 42.059 0.106 0.000 1.278 491 L HN 0.693 nan 8.230 nan 0.000 0.431 492 A N 1.348 124.297 122.820 0.214 0.000 2.498 492 A HA 0.400 4.719 4.320 -0.001 0.000 0.239 492 A C 0.181 177.882 177.584 0.196 0.000 1.068 492 A CA 0.149 52.341 52.037 0.259 0.000 0.766 492 A CB 0.415 19.686 19.000 0.452 0.000 1.003 492 A HN 0.536 nan 8.150 nan 0.000 0.497 493 S N 2.937 118.747 115.700 0.184 0.000 2.620 493 S HA 0.534 5.003 4.470 -0.001 0.000 0.244 493 S C -2.263 172.421 174.600 0.140 0.000 1.192 493 S CA -1.002 57.273 58.200 0.125 0.000 1.148 493 S CB 1.088 64.340 63.200 0.086 0.000 1.106 493 S HN 0.416 nan 8.310 nan 0.000 0.474 494 P HA -0.070 nan 4.420 nan 0.000 0.217 494 P C 1.655 179.106 177.300 0.251 0.000 1.150 494 P CA 0.551 63.774 63.100 0.205 0.000 0.832 494 P CB 0.130 31.977 31.700 0.245 0.000 0.787 495 R N -0.114 120.489 120.500 0.172 0.000 2.112 495 R HA -0.185 4.154 4.340 -0.001 0.000 0.242 495 R C 2.340 178.713 176.300 0.122 0.000 1.137 495 R CA 2.275 58.457 56.100 0.136 0.000 0.944 495 R CB -1.020 29.311 30.300 0.053 0.000 0.857 495 R HN 0.116 nan 8.270 nan 0.000 0.435 496 S N -0.907 114.841 115.700 0.079 0.000 2.474 496 S HA -0.120 4.350 4.470 -0.001 0.000 0.235 496 S C 1.981 176.583 174.600 0.003 0.000 0.997 496 S CA 1.129 59.358 58.200 0.048 0.000 0.949 496 S CB -0.344 62.886 63.200 0.049 0.000 0.766 496 S HN 0.588 nan 8.310 nan 0.000 0.517 497 C N -0.054 119.223 119.300 -0.039 0.000 2.507 497 C HA 0.273 4.732 4.460 -0.001 0.000 0.280 497 C C 2.040 176.782 174.990 -0.414 0.000 1.345 497 C CA 0.041 58.890 59.018 -0.281 0.000 1.736 497 C CB -1.483 26.056 27.740 -0.335 0.000 2.060 497 C HN 0.744 nan 8.230 nan 0.000 0.498 498 Y N 1.453 121.651 120.300 -0.169 0.000 2.070 498 Y HA -0.225 4.324 4.550 -0.002 0.000 0.280 498 Y C 2.585 178.486 175.900 0.001 0.000 1.148 498 Y CA 2.461 60.521 58.100 -0.067 0.000 1.125 498 Y CB -0.434 38.009 38.460 -0.029 0.000 0.975 498 Y HN 0.271 nan 8.280 nan 0.000 0.492 499 K N 0.336 120.836 120.400 0.166 0.000 2.052 499 K HA -0.264 4.056 4.320 -0.001 0.000 0.215 499 K C 2.118 178.773 176.600 0.093 0.000 1.053 499 K CA 1.860 58.210 56.287 0.106 0.000 0.934 499 K CB -0.588 31.955 32.500 0.072 0.000 0.717 499 K HN 0.305 nan 8.250 nan 0.000 0.450 500 L N 0.202 121.459 121.223 0.058 0.000 2.083 500 L HA -0.177 4.162 4.340 -0.001 0.000 0.209 500 L C 2.115 179.125 176.870 0.234 0.000 1.083 500 L CA 1.594 56.486 54.840 0.088 0.000 0.752 500 L CB -0.359 41.716 42.059 0.027 0.000 0.899 500 L HN 0.253 nan 8.230 nan 0.000 0.433 501 F N -0.065 119.871 119.950 -0.024 0.000 2.293 501 F HA -0.114 4.412 4.527 -0.001 0.000 0.297 501 F C 2.674 178.474 175.800 0.000 0.000 1.089 501 F CA 0.781 58.757 58.000 -0.040 0.000 1.377 501 F CB -0.824 38.128 39.000 -0.080 0.000 1.051 501 F HN 0.202 nan 8.300 nan 0.000 0.511 502 Q N 0.829 120.761 119.800 0.219 0.000 2.020 502 Q HA -0.141 4.198 4.340 -0.001 0.000 0.198 502 Q C 2.027 178.089 176.000 0.103 0.000 0.974 502 Q CA 1.773 57.666 55.803 0.148 0.000 0.829 502 Q CB -0.361 28.462 28.738 0.142 0.000 0.894 502 Q HN 0.420 nan 8.270 nan 0.000 0.433 503 E N -0.314 119.942 120.200 0.094 0.000 2.049 503 E HA -0.291 4.058 4.350 -0.001 0.000 0.198 503 E C 2.075 178.708 176.600 0.056 0.000 1.007 503 E CA 1.410 57.849 56.400 0.065 0.000 0.809 503 E CB -0.073 29.659 29.700 0.053 0.000 0.749 503 E HN 0.290 nan 8.360 nan 0.000 0.450 504 Q N 0.692 120.519 119.800 0.045 0.000 2.062 504 Q HA -0.258 4.081 4.340 -0.001 0.000 0.209 504 Q C 2.034 178.085 176.000 0.085 0.000 0.996 504 Q CA 1.881 57.687 55.803 0.005 0.000 0.859 504 Q CB -0.237 28.460 28.738 -0.067 0.000 0.920 504 Q HN 0.263 nan 8.270 nan 0.000 0.415 505 Q N -0.185 119.656 119.800 0.069 0.000 2.014 505 Q HA -0.237 4.102 4.340 -0.001 0.000 0.207 505 Q C 1.772 177.815 176.000 0.073 0.000 0.993 505 Q CA 1.886 57.730 55.803 0.068 0.000 0.850 505 Q CB -0.198 28.572 28.738 0.053 0.000 0.916 505 Q HN 0.547 nan 8.270 nan 0.000 0.417 506 N N 0.108 118.848 118.700 0.066 0.000 2.023 506 N HA -0.274 4.465 4.740 -0.001 0.000 0.200 506 N C 1.610 177.156 175.510 0.062 0.000 1.048 506 N CA 1.389 54.472 53.050 0.055 0.000 0.872 506 N CB -0.293 38.224 38.487 0.050 0.000 1.070 506 N HN 0.178 nan 8.380 nan 0.000 0.441 507 E N 0.045 120.298 120.200 0.088 0.000 2.448 507 E HA -0.117 4.233 4.350 -0.001 0.000 0.203 507 E C 0.825 177.513 176.600 0.147 0.000 1.046 507 E CA 1.028 57.502 56.400 0.123 0.000 0.871 507 E CB -0.448 29.333 29.700 0.135 0.000 0.790 507 E HN 0.559 nan 8.360 nan 0.000 0.545 508 G N -0.717 108.151 108.800 0.114 0.000 2.143 508 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.175 508 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.175 508 G C -0.073 174.733 174.900 -0.158 0.000 1.004 508 G CA 0.089 45.162 45.100 -0.045 0.000 0.671 508 G HN 0.396 nan 8.290 nan 0.000 0.512 509 H N -0.167 118.880 119.070 -0.039 0.000 2.472 509 H HA 0.441 4.997 4.556 -0.001 0.000 0.287 509 H C 2.017 177.297 175.328 -0.080 0.000 1.112 509 H CA 0.226 56.238 56.048 -0.060 0.000 1.021 509 H CB 0.426 30.144 29.762 -0.073 0.000 1.635 509 H HN 0.293 nan 8.280 nan 0.000 0.559 510 G N 0.332 109.148 108.800 0.026 0.000 2.564 510 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.216 510 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.216 510 G C 1.348 176.227 174.900 -0.035 0.000 1.124 510 G CA 0.605 45.698 45.100 -0.012 0.000 0.764 510 G HN 0.296 nan 8.290 nan 0.000 0.550 511 E N 0.004 120.185 120.200 -0.031 0.000 2.465 511 E HA 0.482 4.831 4.350 -0.001 0.000 0.195 511 E C 1.028 177.599 176.600 -0.048 0.000 1.028 511 E CA -0.217 56.160 56.400 -0.038 0.000 0.899 511 E CB 0.108 29.785 29.700 -0.039 0.000 1.032 511 E HN 0.298 nan 8.360 nan 0.000 0.468 512 A N 0.415 123.195 122.820 -0.067 0.000 2.327 512 A HA 0.510 4.830 4.320 -0.001 0.000 0.283 512 A C -0.530 176.971 177.584 -0.139 0.000 1.127 512 A CA -0.490 51.492 52.037 -0.091 0.000 0.810 512 A CB 0.394 19.331 19.000 -0.106 0.000 1.066 512 A HN 0.270 nan 8.150 nan 0.000 0.492 513 L N 2.990 124.142 121.223 -0.118 0.000 2.257 513 L HA 0.309 4.648 4.340 -0.001 0.000 0.290 513 L C 0.156 176.921 176.870 -0.175 0.000 1.044 513 L CA -0.180 54.588 54.840 -0.120 0.000 0.810 513 L CB 0.783 42.806 42.059 -0.059 0.000 1.193 513 L HN 0.654 nan 8.230 nan 0.000 0.425 514 L N 4.172 125.228 121.223 -0.278 0.000 2.464 514 L HA 0.365 4.704 4.340 -0.001 0.000 0.264 514 L C -0.358 176.296 176.870 -0.359 0.000 1.199 514 L CA -0.035 54.549 54.840 -0.427 0.000 0.818 514 L CB 0.487 42.157 42.059 -0.648 0.000 1.102 514 L HN 0.486 nan 8.230 nan 0.000 0.473 523 Q N 1.121 121.001 119.800 0.134 0.000 2.309 523 Q HA 0.348 4.688 4.340 -0.001 0.000 0.254 523 Q C -1.448 174.613 176.000 0.102 0.000 0.938 523 Q CA -0.844 55.065 55.803 0.176 0.000 0.789 523 Q CB 2.082 30.878 28.738 0.097 0.000 1.313 523 Q HN 0.570 nan 8.270 nan 0.000 0.438 524 Q N 1.443 121.293 119.800 0.082 0.000 2.215 524 Q HA 0.507 4.847 4.340 -0.001 0.000 0.256 524 Q C -1.030 174.950 176.000 -0.034 0.000 0.972 524 Q CA -0.918 54.914 55.803 0.049 0.000 0.889 524 Q CB 1.872 30.684 28.738 0.124 0.000 1.281 524 Q HN 0.384 nan 8.270 nan 0.000 0.456 525 K N 0.975 121.361 120.400 -0.023 0.000 2.118 525 K HA 0.199 4.518 4.320 -0.001 0.000 0.264 525 K C 0.750 177.295 176.600 -0.092 0.000 1.000 525 K CA -0.194 56.053 56.287 -0.065 0.000 0.929 525 K CB 0.776 33.253 32.500 -0.038 0.000 1.021 525 K HN 0.623 nan 8.250 nan 0.000 0.463 526 I N 1.843 122.307 120.570 -0.177 0.000 2.335 526 I HA -0.320 3.849 4.170 -0.001 0.000 0.251 526 I C 1.810 177.863 176.117 -0.106 0.000 1.129 526 I CA 1.787 62.922 61.300 -0.274 0.000 1.402 526 I CB 0.063 37.793 38.000 -0.450 0.000 1.069 526 I HN 0.644 nan 8.210 nan 0.000 0.424 527 K N 0.980 121.350 120.400 -0.051 0.000 2.021 527 K HA -0.158 4.162 4.320 -0.001 0.000 0.205 527 K C 1.851 178.470 176.600 0.033 0.000 1.047 527 K CA 1.545 57.835 56.287 0.005 0.000 0.943 527 K CB -0.119 32.386 32.500 0.009 0.000 0.725 527 K HN 0.319 nan 8.250 nan 0.000 0.439 528 N N 1.337 120.054 118.700 0.027 0.000 2.184 528 N HA -0.222 4.517 4.740 -0.001 0.000 0.190 528 N C 1.839 177.394 175.510 0.074 0.000 1.011 528 N CA 1.539 54.618 53.050 0.048 0.000 0.867 528 N CB -0.354 38.161 38.487 0.047 0.000 0.993 528 N HN 0.303 nan 8.380 nan 0.000 0.433 529 I N 0.810 121.430 120.570 0.084 0.000 2.127 529 I HA -0.265 3.904 4.170 -0.001 0.000 0.241 529 I C 1.892 178.081 176.117 0.121 0.000 1.075 529 I CA 0.881 62.241 61.300 0.100 0.000 1.334 529 I CB -0.240 37.831 38.000 0.120 0.000 1.040 529 I HN 0.064 nan 8.210 nan 0.000 0.405 530 L N 0.520 121.828 121.223 0.141 0.000 2.127 530 L HA -0.188 4.152 4.340 -0.001 0.000 0.211 530 L C 2.753 179.712 176.870 0.147 0.000 1.089 530 L CA 2.270 57.231 54.840 0.202 0.000 0.757 530 L CB -1.856 40.304 42.059 0.169 0.000 0.899 530 L HN 0.417 nan 8.230 nan 0.000 0.434 531 S N -1.381 114.376 115.700 0.096 0.000 2.425 531 S HA -0.038 4.431 4.470 -0.001 0.000 0.225 531 S C 1.170 175.805 174.600 0.057 0.000 1.024 531 S CA -0.198 58.041 58.200 0.064 0.000 0.951 531 S CB -0.535 62.694 63.200 0.048 0.000 0.796 531 S HN 0.383 nan 8.310 nan 0.000 0.498 532 N N 2.853 121.594 118.700 0.068 0.000 2.417 532 N HA 0.028 4.767 4.740 -0.001 0.000 0.272 532 N C 0.600 176.128 175.510 0.031 0.000 1.304 532 N CA 0.228 53.307 53.050 0.047 0.000 0.906 532 N CB 0.438 38.958 38.487 0.055 0.000 1.135 532 N HN 0.375 nan 8.380 nan 0.000 0.483 533 K N 2.066 122.471 120.400 0.008 0.000 2.361 533 K HA 0.009 4.328 4.320 -0.001 0.000 0.196 533 K C 1.143 177.721 176.600 -0.036 0.000 1.039 533 K CA 0.561 56.844 56.287 -0.007 0.000 1.001 533 K CB 0.296 32.794 32.500 -0.004 0.000 0.795 533 K HN 0.438 nan 8.250 nan 0.000 0.495 534 T N 2.244 116.756 114.554 -0.070 0.000 2.894 534 T HA 0.056 4.406 4.350 -0.001 0.000 0.258 534 T C 1.866 176.365 174.700 -0.335 0.000 1.043 534 T CA 0.217 62.212 62.100 -0.175 0.000 1.141 534 T CB 0.011 68.779 68.868 -0.165 0.000 0.873 534 T HN 0.075 nan 8.240 nan 0.000 0.449 535 L N 0.792 121.891 121.223 -0.207 0.000 1.956 535 L HA -0.222 4.117 4.340 -0.001 0.000 0.216 535 L C 2.812 179.690 176.870 0.013 0.000 1.073 535 L CA 1.821 56.583 54.840 -0.130 0.000 0.762 535 L CB -0.358 41.654 42.059 -0.078 0.000 0.889 535 L HN 0.184 nan 8.230 nan 0.000 0.433 536 R N -0.015 120.519 120.500 0.057 0.000 2.159 536 R HA -0.284 4.055 4.340 -0.001 0.000 0.249 536 R C 2.069 178.372 176.300 0.003 0.000 1.136 536 R CA 2.553 58.653 56.100 -0.001 0.000 0.951 536 R CB -0.235 30.023 30.300 -0.070 0.000 0.876 536 R HN 0.467 nan 8.270 nan 0.000 0.440 537 E N -1.964 118.255 120.200 0.031 0.000 2.152 537 E HA -0.143 4.206 4.350 -0.001 0.000 0.192 537 E C 1.884 178.622 176.600 0.230 0.000 0.983 537 E CA 0.972 57.425 56.400 0.089 0.000 0.818 537 E CB -0.044 29.702 29.700 0.076 0.000 0.758 537 E HN 0.437 nan 8.360 nan 0.000 0.467 538 H N 1.127 120.247 119.070 0.085 0.000 2.253 538 H HA -0.069 4.486 4.556 -0.001 0.000 0.296 538 H C 1.749 177.177 175.328 0.168 0.000 1.067 538 H CA 1.322 57.454 56.048 0.140 0.000 1.245 538 H CB -0.604 29.242 29.762 0.140 0.000 1.364 538 H HN 0.160 nan 8.280 nan 0.000 0.494 539 N N 0.252 119.126 118.700 0.290 0.000 2.417 539 N HA -0.144 4.595 4.740 -0.001 0.000 0.187 539 N C 1.851 177.410 175.510 0.081 0.000 1.027 539 N CA 0.858 54.034 53.050 0.209 0.000 0.891 539 N CB -0.074 38.593 38.487 0.301 0.000 0.956 539 N HN 0.177 nan 8.380 nan 0.000 0.442 540 S N 0.483 116.224 115.700 0.070 0.000 2.357 540 S HA -0.066 4.403 4.470 -0.001 0.000 0.221 540 S C 1.588 176.187 174.600 -0.002 0.000 1.031 540 S CA 0.523 58.727 58.200 0.006 0.000 0.982 540 S CB -0.187 63.024 63.200 0.019 0.000 0.853 540 S HN 0.403 nan 8.310 nan 0.000 0.458 541 F N 1.957 121.865 119.950 -0.069 0.000 2.146 541 F HA -0.062 4.464 4.527 -0.001 0.000 0.298 541 F C 1.985 177.636 175.800 -0.248 0.000 1.096 541 F CA 1.204 59.132 58.000 -0.120 0.000 1.275 541 F CB -0.489 38.465 39.000 -0.078 0.000 1.008 541 F HN -0.008 nan 8.300 nan 0.000 0.480 542 V N 0.771 120.450 119.914 -0.391 0.000 2.392 542 V HA -0.322 3.797 4.120 -0.001 0.000 0.249 542 V C 2.424 178.071 176.094 -0.746 0.000 1.059 542 V CA 2.340 64.201 62.300 -0.731 0.000 1.051 542 V CB -0.766 30.827 31.823 -0.384 0.000 0.658 542 V HN 0.440 nan 8.190 nan 0.000 0.455 543 E N -0.299 119.658 120.200 -0.405 0.000 2.153 543 E HA -0.246 4.103 4.350 -0.001 0.000 0.194 543 E C 2.460 178.852 176.600 -0.348 0.000 0.988 543 E CA 1.107 57.326 56.400 -0.302 0.000 0.811 543 E CB 0.007 29.614 29.700 -0.155 0.000 0.746 543 E HN 0.480 nan 8.360 nan 0.000 0.466 544 R N -0.550 119.700 120.500 -0.416 0.000 2.090 544 R HA -0.078 4.261 4.340 -0.001 0.000 0.228 544 R C 2.456 178.502 176.300 -0.423 0.000 1.110 544 R CA 1.398 57.292 56.100 -0.344 0.000 0.973 544 R CB -0.112 29.989 30.300 -0.331 0.000 0.869 544 R HN 0.250 nan 8.270 nan 0.000 0.440 545 C N -0.013 118.800 119.300 -0.811 0.000 2.489 545 C HA 0.003 4.462 4.460 -0.001 0.000 0.279 545 C C 2.418 176.924 174.990 -0.806 0.000 1.266 545 C CA 0.342 58.755 59.018 -1.009 0.000 1.707 545 C CB -0.714 25.722 27.740 -2.174 0.000 2.059 545 C HN 0.472 nan 8.230 nan 0.000 0.481 546 I N 1.332 121.367 120.570 -0.891 0.000 2.264 546 I HA -0.231 3.939 4.170 -0.001 0.000 0.248 546 I C 2.035 178.001 176.117 -0.253 0.000 1.111 546 I CA 1.579 62.553 61.300 -0.542 0.000 1.382 546 I CB -0.530 37.245 38.000 -0.375 0.000 1.060 546 I HN 0.355 nan 8.210 nan 0.000 0.418 547 D N -0.022 120.254 120.400 -0.207 0.000 2.117 547 D HA -0.212 4.428 4.640 -0.001 0.000 0.198 547 D C 1.733 178.013 176.300 -0.034 0.000 0.982 547 D CA 0.815 54.759 54.000 -0.094 0.000 0.828 547 D CB -0.351 40.399 40.800 -0.082 0.000 0.967 547 D HN 0.442 nan 8.370 nan 0.000 0.464 548 W N 1.853 123.040 121.300 -0.188 0.000 2.304 548 W HA -0.220 4.439 4.660 -0.000 0.000 0.315 548 W C 1.511 177.983 176.519 -0.078 0.000 1.233 548 W CA 1.160 58.431 57.345 -0.123 0.000 1.261 548 W CB -0.181 29.212 29.460 -0.111 0.000 1.150 548 W HN -0.002 nan 8.180 nan 0.000 0.494 549 N N 0.213 118.903 118.700 -0.017 0.000 2.300 549 N HA -0.140 4.599 4.740 -0.001 0.000 0.179 549 N C 1.885 177.389 175.510 -0.009 0.000 1.016 549 N CA 1.028 54.076 53.050 -0.004 0.000 0.876 549 N CB -0.529 37.985 38.487 0.046 0.000 0.979 549 N HN 0.278 nan 8.380 nan 0.000 0.432 550 R N 1.433 121.916 120.500 -0.028 0.000 2.094 550 R HA -0.128 4.211 4.340 -0.001 0.000 0.239 550 R C 1.523 177.786 176.300 -0.061 0.000 1.137 550 R CA 1.373 57.464 56.100 -0.015 0.000 0.943 550 R CB 0.101 30.385 30.300 -0.027 0.000 0.850 550 R HN 0.051 nan 8.270 nan 0.000 0.433 551 E N 0.424 120.540 120.200 -0.139 0.000 2.153 551 E HA -0.172 4.177 4.350 -0.001 0.000 0.194 551 E C 1.974 178.437 176.600 -0.229 0.000 0.988 551 E CA 0.845 57.128 56.400 -0.194 0.000 0.811 551 E CB -0.174 29.356 29.700 -0.284 0.000 0.746 551 E HN 0.237 nan 8.360 nan 0.000 0.466 552 L N 0.135 121.192 121.223 -0.277 0.000 1.988 552 L HA -0.127 4.213 4.340 -0.001 0.000 0.207 552 L C 2.433 179.249 176.870 -0.089 0.000 1.071 552 L CA 1.249 55.963 54.840 -0.210 0.000 0.744 552 L CB -0.930 41.013 42.059 -0.193 0.000 0.893 552 L HN 0.094 nan 8.230 nan 0.000 0.433 553 L N -0.954 120.252 121.223 -0.027 0.000 2.349 553 L HA -0.231 4.108 4.340 -0.001 0.000 0.220 553 L C 2.443 179.332 176.870 0.032 0.000 1.130 553 L CA 1.106 55.966 54.840 0.033 0.000 0.791 553 L CB -0.538 41.577 42.059 0.093 0.000 0.918 553 L HN 0.261 nan 8.230 nan 0.000 0.444 554 K N -0.398 119.997 120.400 -0.007 0.000 2.044 554 K HA -0.111 4.208 4.320 -0.001 0.000 0.204 554 K C 2.212 178.806 176.600 -0.010 0.000 1.049 554 K CA 0.697 56.986 56.287 0.003 0.000 0.945 554 K CB 0.013 32.500 32.500 -0.023 0.000 0.724 554 K HN 0.174 nan 8.250 nan 0.000 0.440 555 R N 1.375 121.847 120.500 -0.047 0.000 2.107 555 R HA -0.148 4.191 4.340 -0.001 0.000 0.223 555 R C 1.877 178.156 176.300 -0.035 0.000 1.138 555 R CA 1.778 57.849 56.100 -0.049 0.000 0.900 555 R CB -0.131 30.117 30.300 -0.087 0.000 0.814 555 R HN 0.043 nan 8.270 nan 0.000 0.437 556 E N 0.464 120.631 120.200 -0.055 0.000 2.209 556 E HA -0.180 4.169 4.350 -0.001 0.000 0.196 556 E C 1.730 178.275 176.600 -0.092 0.000 0.993 556 E CA 1.079 57.434 56.400 -0.075 0.000 0.819 556 E CB -0.032 29.611 29.700 -0.094 0.000 0.745 556 E HN 0.364 nan 8.360 nan 0.000 0.477 557 L N -0.687 120.513 121.223 -0.039 0.000 2.667 557 L HA 0.281 4.620 4.340 -0.001 0.000 0.232 557 L C 1.095 177.999 176.870 0.056 0.000 1.138 557 L CA 0.379 55.207 54.840 -0.020 0.000 0.921 557 L CB 0.159 42.235 42.059 0.028 0.000 1.180 557 L HN 0.081 nan 8.230 nan 0.000 0.487 558 G N 0.843 109.673 108.800 0.049 0.000 2.338 558 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.296 558 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.296 558 G C 0.104 175.056 174.900 0.087 0.000 1.040 558 G CA 0.150 45.288 45.100 0.063 0.000 1.004 558 G HN 0.276 nan 8.290 nan 0.000 0.509 559 L N -0.410 120.869 121.223 0.093 0.000 2.357 559 L HA 0.738 5.077 4.340 -0.001 0.000 0.273 559 L C 0.878 177.779 176.870 0.051 0.000 1.080 559 L CA -0.391 54.514 54.840 0.109 0.000 0.803 559 L CB 1.493 43.647 42.059 0.159 0.000 1.174 559 L HN 0.357 nan 8.230 nan 0.000 0.443 560 A N 1.179 124.017 122.820 0.030 0.000 2.288 560 A HA 0.389 4.708 4.320 -0.001 0.000 0.328 560 A C 0.777 178.364 177.584 0.005 0.000 1.123 560 A CA -0.521 51.521 52.037 0.008 0.000 0.861 560 A CB 0.909 19.906 19.000 -0.005 0.000 1.272 560 A HN 0.792 nan 8.150 nan 0.000 0.490 561 E N 0.548 120.748 120.200 -0.001 0.000 2.110 561 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 561 E C 2.180 178.776 176.600 -0.007 0.000 0.988 561 E CA 1.752 58.152 56.400 -0.000 0.000 0.804 561 E CB -0.338 29.360 29.700 -0.003 0.000 0.745 561 E HN 0.780 nan 8.360 nan 0.000 0.458 562 S N 1.187 116.877 115.700 -0.017 0.000 2.465 562 S HA -0.147 4.322 4.470 -0.001 0.000 0.241 562 S C 1.268 175.834 174.600 -0.056 0.000 1.000 562 S CA 1.077 59.258 58.200 -0.031 0.000 0.964 562 S CB -0.073 63.106 63.200 -0.035 0.000 0.763 562 S HN 0.138 nan 8.310 nan 0.000 0.512 563 D N 1.065 121.430 120.400 -0.058 0.000 2.289 563 D HA 0.273 4.912 4.640 -0.001 0.000 0.207 563 D C 0.747 177.043 176.300 -0.007 0.000 0.966 563 D CA 0.395 54.337 54.000 -0.097 0.000 0.868 563 D CB 0.112 40.867 40.800 -0.075 0.000 0.943 563 D HN 0.458 nan 8.370 nan 0.000 0.514 564 I N 0.494 121.076 120.570 0.020 0.000 2.918 564 I HA 0.358 4.528 4.170 -0.001 0.000 0.316 564 I C 0.007 176.139 176.117 0.025 0.000 1.001 564 I CA -0.646 60.678 61.300 0.039 0.000 1.142 564 I CB 1.976 39.999 38.000 0.037 0.000 1.356 564 I HN -0.310 nan 8.210 nan 0.000 0.524 565 I N 2.047 122.635 120.570 0.029 0.000 2.690 565 I HA 0.097 4.267 4.170 -0.001 0.000 0.286 565 I C -1.723 174.417 176.117 0.038 0.000 1.313 565 I CA -0.526 60.792 61.300 0.030 0.000 1.070 565 I CB 2.014 40.033 38.000 0.032 0.000 1.323 565 I HN 0.525 nan 8.210 nan 0.000 0.432 566 D N 7.040 127.464 120.400 0.041 0.000 2.343 566 D HA 0.332 4.971 4.640 -0.001 0.000 0.255 566 D C -0.201 176.137 176.300 0.064 0.000 1.187 566 D CA 0.075 54.108 54.000 0.054 0.000 0.875 566 D CB 1.220 42.048 40.800 0.047 0.000 1.136 566 D HN 0.154 nan 8.370 nan 0.000 0.469 567 I N 4.622 125.242 120.570 0.082 0.000 2.331 567 I HA 0.213 4.382 4.170 -0.001 0.000 0.292 567 I C -2.109 174.074 176.117 0.110 0.000 0.998 567 I CA -2.643 58.715 61.300 0.095 0.000 1.267 567 I CB 1.255 39.320 38.000 0.108 0.000 1.386 567 I HN 0.083 nan 8.210 nan 0.000 0.476 568 P HA 0.082 nan 4.420 nan 0.000 0.263 568 P C -0.725 176.675 177.300 0.167 0.000 1.195 568 P CA 0.195 63.348 63.100 0.089 0.000 0.762 568 P CB 0.495 32.218 31.700 0.039 0.000 0.799 569 Q N 2.897 122.771 119.800 0.125 0.000 2.443 569 Q HA 0.489 4.828 4.340 -0.001 0.000 0.258 569 Q C -2.220 173.687 176.000 -0.156 0.000 0.967 569 Q CA -0.433 55.358 55.803 -0.020 0.000 0.951 569 Q CB 0.756 29.505 28.738 0.018 0.000 1.459 569 Q HN 0.108 nan 8.270 nan 0.000 0.415 570 L N 3.704 124.573 121.223 -0.591 0.000 2.334 570 L HA 0.748 5.088 4.340 -0.001 0.000 0.272 570 L C -0.964 175.631 176.870 -0.460 0.000 1.020 570 L CA -0.106 54.535 54.840 -0.331 0.000 0.812 570 L CB 1.202 43.090 42.059 -0.286 0.000 1.264 570 L HN 0.756 nan 8.230 nan 0.000 0.439 571 F N 0.756 120.711 119.950 0.009 0.000 2.675 571 F HA 0.698 5.224 4.527 -0.001 0.000 0.324 571 F C -0.446 175.484 175.800 0.217 0.000 1.106 571 F CA -0.964 57.119 58.000 0.139 0.000 0.970 571 F CB 1.725 40.834 39.000 0.180 0.000 1.385 571 F HN 0.173 nan 8.300 nan 0.000 0.489 572 K N 1.095 121.783 120.400 0.478 0.000 2.535 572 K HA 0.536 4.855 4.320 -0.001 0.000 0.251 572 K C -1.932 174.873 176.600 0.342 0.000 0.942 572 K CA -0.327 56.239 56.287 0.465 0.000 0.798 572 K CB 1.251 34.039 32.500 0.480 0.000 1.267 572 K HN 0.583 nan 8.250 nan 0.000 0.434 573 L N 5.894 127.231 121.223 0.190 0.000 2.342 573 L HA 0.274 4.613 4.340 -0.001 0.000 0.285 573 L C 0.767 177.672 176.870 0.058 0.000 1.095 573 L CA -0.388 54.423 54.840 -0.049 0.000 0.843 573 L CB 0.244 41.988 42.059 -0.525 0.000 1.201 573 L HN 0.572 nan 8.230 nan 0.000 0.445 574 K N 1.623 122.072 120.400 0.082 0.000 4.493 574 K HA 0.215 4.534 4.320 -0.001 0.000 0.206 574 K C 0.168 176.764 176.600 -0.007 0.000 1.105 574 K CA -0.624 55.697 56.287 0.057 0.000 1.928 574 K CB -0.009 32.526 32.500 0.059 0.000 2.779 574 K HN 0.304 nan 8.250 nan 0.000 0.614 575 E N 1.663 121.833 120.200 -0.049 0.000 3.484 575 E HA -0.181 4.168 4.350 -0.001 0.000 0.226 575 E C -0.749 175.832 176.600 -0.031 0.000 0.976 575 E CA 0.722 57.028 56.400 -0.157 0.000 0.922 575 E CB -0.796 28.857 29.700 -0.078 0.000 0.897 575 E HN 0.361 nan 8.360 nan 0.000 0.572 576 F N 0.397 120.343 119.950 -0.006 0.000 2.937 576 F HA -0.283 4.243 4.527 -0.001 0.000 0.290 576 F C 1.107 176.884 175.800 -0.037 0.000 0.802 576 F CA 0.662 58.652 58.000 -0.016 0.000 1.336 576 F CB -2.504 36.490 39.000 -0.010 0.000 1.438 576 F HN 0.426 nan 8.300 nan 0.000 0.469 577 S N -1.682 114.061 115.700 0.071 0.000 3.319 577 S HA -0.255 4.214 4.470 -0.001 0.000 0.319 577 S C 0.743 175.350 174.600 0.011 0.000 1.236 577 S CA 1.417 59.592 58.200 -0.043 0.000 0.964 577 S CB -0.571 62.559 63.200 -0.117 0.000 1.040 577 S HN 0.463 nan 8.310 nan 0.000 0.620 578 K N 0.765 121.228 120.400 0.106 0.000 2.098 578 K HA 0.714 5.033 4.320 -0.001 0.000 0.257 578 K C 0.364 177.043 176.600 0.131 0.000 0.999 578 K CA 0.033 56.401 56.287 0.135 0.000 0.924 578 K CB 1.067 33.646 32.500 0.131 0.000 1.028 578 K HN 0.261 nan 8.250 nan 0.000 0.466 579 A N 1.666 124.581 122.820 0.158 0.000 2.306 579 A HA 0.550 4.870 4.320 -0.001 0.000 0.330 579 A C -0.615 177.087 177.584 0.197 0.000 1.146 579 A CA -0.438 51.742 52.037 0.237 0.000 0.827 579 A CB 0.738 19.966 19.000 0.380 0.000 1.178 579 A HN 0.732 nan 8.150 nan 0.000 0.490 580 E N -0.302 120.079 120.200 0.301 0.000 2.433 580 E HA 0.547 4.896 4.350 -0.001 0.000 0.278 580 E C -0.854 175.882 176.600 0.227 0.000 0.976 580 E CA -1.039 55.492 56.400 0.218 0.000 0.793 580 E CB 2.068 31.833 29.700 0.109 0.000 1.311 580 E HN 0.871 nan 8.360 nan 0.000 0.460 581 A N 1.048 123.874 122.820 0.010 0.000 2.450 581 A HA 0.157 4.476 4.320 -0.001 0.000 0.255 581 A C 0.061 177.577 177.584 -0.115 0.000 1.096 581 A CA 0.046 51.905 52.037 -0.296 0.000 0.778 581 A CB -0.279 18.549 19.000 -0.287 0.000 1.031 581 A HN 0.785 nan 8.150 nan 0.000 0.494 582 F N 2.472 122.216 119.950 -0.344 0.000 2.407 582 F HA 0.223 4.749 4.527 -0.001 0.000 0.299 582 F C 0.057 175.949 175.800 0.152 0.000 1.097 582 F CA 0.860 58.823 58.000 -0.062 0.000 1.422 582 F CB 0.051 39.014 39.000 -0.061 0.000 1.067 582 F HN 0.614 nan 8.300 nan 0.000 0.539 583 F N -2.636 117.415 119.950 0.168 0.000 2.693 583 F HA 0.568 5.094 4.527 -0.001 0.000 0.309 583 F C -3.097 172.754 175.800 0.085 0.000 1.129 583 F CA -3.787 54.324 58.000 0.185 0.000 0.948 583 F CB -0.570 38.624 39.000 0.323 0.000 1.315 583 F HN -0.413 nan 8.300 nan 0.000 0.447 584 P HA -0.125 nan 4.420 nan 0.000 0.260 584 P C -0.690 176.725 177.300 0.192 0.000 1.147 584 P CA 0.733 63.975 63.100 0.236 0.000 0.758 584 P CB 0.171 32.027 31.700 0.260 0.000 0.744 585 N N 3.062 121.801 118.700 0.065 0.000 2.400 585 N HA 0.036 4.775 4.740 -0.001 0.000 0.267 585 N C 1.333 176.909 175.510 0.110 0.000 1.208 585 N CA -0.219 52.847 53.050 0.027 0.000 0.951 585 N CB 0.119 38.618 38.487 0.020 0.000 1.227 585 N HN 0.405 nan 8.380 nan 0.000 0.488 586 M N 2.097 121.789 119.600 0.154 0.000 2.229 586 M HA -0.112 4.367 4.480 -0.001 0.000 0.264 586 M C 1.841 178.219 176.300 0.129 0.000 1.063 586 M CA 0.884 56.290 55.300 0.176 0.000 1.114 586 M CB 0.124 32.861 32.600 0.229 0.000 1.387 586 M HN 0.411 nan 8.290 nan 0.000 0.420 587 V N 0.760 120.746 119.914 0.119 0.000 3.380 587 V HA -0.078 4.041 4.120 -0.001 0.000 0.268 587 V C 0.959 177.094 176.094 0.069 0.000 1.168 587 V CA 1.003 63.360 62.300 0.095 0.000 1.156 587 V CB -0.648 31.247 31.823 0.120 0.000 0.785 587 V HN 0.379 nan 8.190 nan 0.000 0.487 588 N N 2.145 120.893 118.700 0.080 0.000 3.259 588 N HA 0.147 4.887 4.740 -0.001 0.000 0.308 588 N C -0.053 175.497 175.510 0.067 0.000 1.334 588 N CA -0.057 53.035 53.050 0.070 0.000 1.202 588 N CB -0.173 38.361 38.487 0.078 0.000 1.485 588 N HN 0.679 nan 8.380 nan 0.000 0.549 589 M N -1.169 118.464 119.600 0.056 0.000 2.528 589 M HA 0.401 4.880 4.480 -0.001 0.000 0.318 589 M C -0.459 175.868 176.300 0.045 0.000 1.195 589 M CA -0.799 54.528 55.300 0.045 0.000 1.000 589 M CB 1.721 34.338 32.600 0.029 0.000 1.615 589 M HN -0.093 nan 8.290 nan 0.000 0.469 590 L N 3.301 124.545 121.223 0.036 0.000 2.302 590 L HA 0.363 4.702 4.340 -0.001 0.000 0.285 590 L C -1.109 175.784 176.870 0.038 0.000 1.090 590 L CA -0.729 54.136 54.840 0.041 0.000 0.866 590 L CB 0.802 42.883 42.059 0.037 0.000 1.244 590 L HN 0.648 nan 8.230 nan 0.000 0.435 591 V N 6.658 126.603 119.914 0.051 0.000 2.313 591 V HA 0.030 4.149 4.120 -0.001 0.000 0.252 591 V C 0.548 176.673 176.094 0.052 0.000 1.112 591 V CA -0.194 62.139 62.300 0.056 0.000 0.984 591 V CB 0.789 32.657 31.823 0.076 0.000 1.157 591 V HN 0.570 nan 8.190 nan 0.000 0.493 592 L N 4.950 126.203 121.223 0.050 0.000 2.990 592 L HA 0.587 4.926 4.340 -0.001 0.000 0.231 592 L C 1.133 178.024 176.870 0.036 0.000 1.341 592 L CA 0.467 55.328 54.840 0.036 0.000 1.208 592 L CB -0.254 41.822 42.059 0.030 0.000 1.571 592 L HN 0.841 nan 8.230 nan 0.000 0.453 593 G N 1.588 110.415 108.800 0.044 0.000 2.540 593 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.260 593 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.260 593 G C 0.741 175.703 174.900 0.103 0.000 0.993 593 G CA 0.591 45.717 45.100 0.042 0.000 1.327 593 G HN 0.709 nan 8.290 nan 0.000 0.485 594 K N -0.431 120.041 120.400 0.120 0.000 3.606 594 K HA -0.262 4.057 4.320 -0.001 0.000 0.289 594 K C 0.150 176.861 176.600 0.185 0.000 1.221 594 K CA 2.131 58.511 56.287 0.155 0.000 1.028 594 K CB -1.417 31.190 32.500 0.178 0.000 1.299 594 K HN 0.891 nan 8.250 nan 0.000 0.454 595 H N 1.074 120.135 119.070 -0.014 0.000 2.718 595 H HA 0.288 4.843 4.556 -0.002 0.000 0.295 595 H C -0.472 174.830 175.328 -0.042 0.000 1.051 595 H CA -0.705 55.325 56.048 -0.031 0.000 1.260 595 H CB 0.582 30.328 29.762 -0.027 0.000 1.403 595 H HN 0.054 nan 8.280 nan 0.000 0.488 596 L N 2.204 123.413 121.223 -0.023 0.000 2.292 596 L HA 0.316 4.655 4.340 -0.001 0.000 0.284 596 L C 1.081 177.891 176.870 -0.101 0.000 1.065 596 L CA -0.667 54.143 54.840 -0.051 0.000 0.806 596 L CB 1.245 43.252 42.059 -0.086 0.000 1.175 596 L HN 0.631 nan 8.230 nan 0.000 0.431 597 G N 5.254 114.018 108.800 -0.060 0.000 3.161 597 G HA2 0.488 4.447 3.960 -0.001 0.000 0.328 597 G HA3 0.488 4.447 3.960 -0.001 0.000 0.328 597 G C -0.009 174.851 174.900 -0.066 0.000 1.037 597 G CA -0.386 44.672 45.100 -0.069 0.000 1.416 597 G HN 0.449 nan 8.290 nan 0.000 0.486 598 I N 1.850 122.324 120.570 -0.160 0.000 2.472 598 I HA 0.226 4.395 4.170 -0.001 0.000 0.290 598 I C -2.106 174.073 176.117 0.102 0.000 1.016 598 I CA -2.317 58.950 61.300 -0.055 0.000 1.348 598 I CB 1.899 39.811 38.000 -0.146 0.000 1.417 598 I HN 0.134 nan 8.210 nan 0.000 0.521 599 P HA 0.076 nan 4.420 nan 0.000 0.271 599 P C -0.746 176.685 177.300 0.219 0.000 1.226 599 P CA -0.358 62.845 63.100 0.172 0.000 0.765 599 P CB 0.455 32.244 31.700 0.148 0.000 0.835 600 K N 5.788 126.257 120.400 0.115 0.000 2.412 600 K HA 0.157 4.477 4.320 -0.001 0.000 0.284 600 K C -2.090 174.358 176.600 -0.254 0.000 1.046 600 K CA -1.617 54.568 56.287 -0.170 0.000 0.999 600 K CB -0.036 32.169 32.500 -0.492 0.000 0.941 600 K HN 0.344 nan 8.250 nan 0.000 0.474 601 P HA 0.088 nan 4.420 nan 0.000 0.284 601 P C -0.964 176.112 177.300 -0.373 0.000 1.253 601 P CA -0.198 62.802 63.100 -0.168 0.000 0.800 601 P CB 0.481 32.016 31.700 -0.275 0.000 0.961 602 F N 1.582 121.501 119.950 -0.052 0.000 2.441 602 F HA 0.371 4.897 4.527 -0.001 0.000 0.337 602 F C 1.524 177.241 175.800 -0.139 0.000 1.182 602 F CA -0.062 57.901 58.000 -0.061 0.000 1.279 602 F CB 0.045 39.060 39.000 0.025 0.000 1.614 602 F HN 0.284 nan 8.300 nan 0.000 0.574 603 G N 1.723 110.415 108.800 -0.181 0.000 2.528 603 G HA2 0.452 4.411 3.960 -0.001 0.000 0.289 603 G HA3 0.452 4.411 3.960 -0.001 0.000 0.289 603 G C -2.806 171.975 174.900 -0.197 0.000 1.192 603 G CA -1.724 43.222 45.100 -0.258 0.000 0.921 603 G HN 0.105 nan 8.290 nan 0.000 0.512 604 P HA 0.173 nan 4.420 nan 0.000 0.267 604 P C -0.285 176.906 177.300 -0.181 0.000 1.205 604 P CA -0.223 62.731 63.100 -0.244 0.000 0.765 604 P CB 0.986 32.445 31.700 -0.402 0.000 0.828 605 V N 5.370 125.208 119.914 -0.126 0.000 2.432 605 V HA 0.346 4.465 4.120 -0.001 0.000 0.275 605 V C 0.373 176.416 176.094 -0.086 0.000 1.043 605 V CA -0.192 62.050 62.300 -0.098 0.000 0.925 605 V CB 0.671 32.459 31.823 -0.058 0.000 0.985 605 V HN 0.376 nan 8.190 nan 0.000 0.466 606 I N 3.480 123.986 120.570 -0.106 0.000 2.545 606 I HA 0.408 4.578 4.170 -0.001 0.000 0.292 606 I C 0.475 176.555 176.117 -0.063 0.000 1.040 606 I CA -0.791 60.442 61.300 -0.112 0.000 1.068 606 I CB 1.402 39.243 38.000 -0.265 0.000 1.251 606 I HN 0.754 nan 8.210 nan 0.000 0.424 607 N N 3.744 122.437 118.700 -0.011 0.000 2.716 607 N HA -0.207 4.533 4.740 -0.001 0.000 0.250 607 N C 1.002 176.502 175.510 -0.017 0.000 1.033 607 N CA 1.082 54.129 53.050 -0.004 0.000 0.727 607 N CB -0.713 37.767 38.487 -0.011 0.000 0.950 607 N HN 1.175 nan 8.380 nan 0.000 0.541 608 G N -0.679 108.110 108.800 -0.017 0.000 2.258 608 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.274 608 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.274 608 G C -0.055 174.823 174.900 -0.036 0.000 1.021 608 G CA 0.644 45.732 45.100 -0.020 0.000 0.798 608 G HN 0.506 nan 8.290 nan 0.000 0.507 609 R N -0.603 119.863 120.500 -0.056 0.000 2.512 609 R HA 0.330 4.669 4.340 -0.001 0.000 0.291 609 R C 0.201 176.434 176.300 -0.112 0.000 1.097 609 R CA -0.249 55.803 56.100 -0.079 0.000 0.940 609 R CB 0.690 30.952 30.300 -0.064 0.000 1.198 609 R HN 0.532 nan 8.270 nan 0.000 0.429 610 C N 5.803 125.013 119.300 -0.150 0.000 2.517 610 C HA -0.038 4.421 4.460 -0.001 0.000 0.403 610 C C 2.475 177.359 174.990 -0.176 0.000 1.467 610 C CA -0.273 58.632 59.018 -0.188 0.000 1.542 610 C CB -1.401 26.175 27.740 -0.274 0.000 2.482 610 C HN 0.937 nan 8.230 nan 0.000 0.610 611 C N 4.766 123.980 119.300 -0.144 0.000 2.401 611 C HA -0.159 4.300 4.460 -0.001 0.000 0.276 611 C C 2.328 177.271 174.990 -0.079 0.000 1.233 611 C CA 1.331 60.292 59.018 -0.096 0.000 1.753 611 C CB -1.881 25.824 27.740 -0.059 0.000 2.029 611 C HN 0.911 nan 8.230 nan 0.000 0.478 612 L N 0.917 122.075 121.223 -0.109 0.000 2.005 612 L HA -0.144 4.195 4.340 -0.001 0.000 0.207 612 L C 2.986 179.767 176.870 -0.148 0.000 1.072 612 L CA 2.160 56.930 54.840 -0.118 0.000 0.744 612 L CB -0.966 40.968 42.059 -0.209 0.000 0.895 612 L HN 0.351 nan 8.230 nan 0.000 0.433 613 E N -0.225 119.781 120.200 -0.323 0.000 2.169 613 E HA -0.305 4.045 4.350 -0.001 0.000 0.202 613 E C 2.180 178.697 176.600 -0.139 0.000 1.016 613 E CA 1.617 57.701 56.400 -0.526 0.000 0.817 613 E CB 0.083 29.319 29.700 -0.775 0.000 0.736 613 E HN 0.327 nan 8.360 nan 0.000 0.462 614 E N -0.103 120.038 120.200 -0.099 0.000 2.102 614 E HA -0.127 4.222 4.350 -0.001 0.000 0.190 614 E C 1.876 178.480 176.600 0.007 0.000 0.971 614 E CA 0.721 57.101 56.400 -0.032 0.000 0.821 614 E CB 0.091 29.758 29.700 -0.056 0.000 0.777 614 E HN -0.030 nan 8.360 nan 0.000 0.460 615 K N 0.935 121.336 120.400 0.002 0.000 2.001 615 K HA -0.055 4.264 4.320 -0.001 0.000 0.208 615 K C 2.098 178.727 176.600 0.049 0.000 1.048 615 K CA 1.361 57.660 56.287 0.021 0.000 0.932 615 K CB -0.925 31.584 32.500 0.016 0.000 0.715 615 K HN -0.048 nan 8.250 nan 0.000 0.437 616 V N 0.737 120.695 119.914 0.074 0.000 2.277 616 V HA -0.433 3.686 4.120 -0.001 0.000 0.255 616 V C 2.512 178.673 176.094 0.110 0.000 1.074 616 V CA 2.315 64.688 62.300 0.121 0.000 1.058 616 V CB -0.687 31.265 31.823 0.216 0.000 0.656 616 V HN 0.511 nan 8.190 nan 0.000 0.449 617 C N 0.131 119.504 119.300 0.122 0.000 2.435 617 C HA -0.079 4.380 4.460 -0.001 0.000 0.279 617 C C 3.075 178.093 174.990 0.047 0.000 1.321 617 C CA 1.122 60.191 59.018 0.086 0.000 1.752 617 C CB -1.177 26.623 27.740 0.101 0.000 1.959 617 C HN 0.779 nan 8.230 nan 0.000 0.500 618 S N 0.270 115.994 115.700 0.040 0.000 2.555 618 S HA 0.068 4.537 4.470 -0.001 0.000 0.230 618 S C 1.378 175.993 174.600 0.026 0.000 0.978 618 S CA 0.978 59.194 58.200 0.026 0.000 0.934 618 S CB -0.495 62.717 63.200 0.020 0.000 0.766 618 S HN 0.668 nan 8.310 nan 0.000 0.533 619 L N -0.458 120.786 121.223 0.034 0.000 2.316 619 L HA 0.332 4.671 4.340 -0.001 0.000 0.207 619 L C 2.236 179.122 176.870 0.028 0.000 1.070 619 L CA 0.421 55.281 54.840 0.032 0.000 0.820 619 L CB -0.167 41.917 42.059 0.041 0.000 0.992 619 L HN 0.286 nan 8.230 nan 0.000 0.466 620 L N -1.126 120.114 121.223 0.029 0.000 2.362 620 L HA 0.062 4.401 4.340 -0.001 0.000 0.204 620 L C 2.303 179.177 176.870 0.007 0.000 1.060 620 L CA 0.411 55.262 54.840 0.019 0.000 0.827 620 L CB -0.204 41.864 42.059 0.015 0.000 1.027 620 L HN 0.138 nan 8.230 nan 0.000 0.474 621 E N 0.974 121.177 120.200 0.004 0.000 2.085 621 E HA -0.192 4.157 4.350 -0.001 0.000 0.194 621 E C -0.691 175.908 176.600 -0.002 0.000 0.994 621 E CA 1.258 57.655 56.400 -0.006 0.000 0.801 621 E CB -0.964 28.735 29.700 -0.002 0.000 0.743 621 E HN 0.448 nan 8.360 nan 0.000 0.453 622 P HA -0.175 nan 4.420 nan 0.000 0.217 622 P C 1.364 178.666 177.300 0.004 0.000 1.148 622 P CA 1.204 64.307 63.100 0.004 0.000 0.828 622 P CB -0.096 31.608 31.700 0.006 0.000 0.783 623 L N -2.094 119.132 121.223 0.006 0.000 2.376 623 L HA 0.071 4.410 4.340 -0.001 0.000 0.219 623 L C 1.837 178.713 176.870 0.010 0.000 1.133 623 L CA 1.131 55.976 54.840 0.009 0.000 0.816 623 L CB -0.903 41.166 42.059 0.016 0.000 0.933 623 L HN 0.168 nan 8.230 nan 0.000 0.449 624 G N -1.265 107.537 108.800 0.002 0.000 2.192 624 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.193 624 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.193 624 G C 0.107 174.997 174.900 -0.017 0.000 0.999 624 G CA -0.616 44.483 45.100 -0.001 0.000 0.659 624 G HN 0.000 nan 8.290 nan 0.000 0.503 625 L N 0.773 121.983 121.223 -0.020 0.000 2.436 625 L HA 0.505 4.844 4.340 -0.001 0.000 0.265 625 L C 0.796 177.604 176.870 -0.104 0.000 1.168 625 L CA 0.362 55.175 54.840 -0.046 0.000 0.815 625 L CB 1.074 43.121 42.059 -0.021 0.000 1.109 625 L HN 0.382 nan 8.230 nan 0.000 0.462 626 Q N 1.467 121.156 119.800 -0.185 0.000 2.607 626 Q HA 0.248 4.587 4.340 -0.001 0.000 0.247 626 Q C -1.134 174.729 176.000 -0.228 0.000 1.033 626 Q CA -0.481 55.175 55.803 -0.245 0.000 0.769 626 Q CB 0.934 29.394 28.738 -0.464 0.000 1.169 626 Q HN 0.719 nan 8.270 nan 0.000 0.508 627 C N 2.593 121.774 119.300 -0.197 0.000 2.642 627 C HA 0.375 4.834 4.460 -0.001 0.000 0.420 627 C C 0.931 175.686 174.990 -0.392 0.000 1.349 627 C CA -0.131 58.691 59.018 -0.327 0.000 1.821 627 C CB -0.483 27.060 27.740 -0.329 0.000 2.637 627 C HN 0.752 nan 8.230 nan 0.000 0.605 628 T N 1.211 115.456 114.554 -0.515 0.000 2.909 628 T HA 0.726 5.075 4.350 -0.001 0.000 0.299 628 T C -0.984 173.355 174.700 -0.602 0.000 1.073 628 T CA -0.504 61.352 62.100 -0.408 0.000 0.999 628 T CB 0.876 69.650 68.868 -0.155 0.000 1.098 628 T HN 0.370 nan 8.240 nan 0.000 0.477 629 F N 1.649 121.581 119.950 -0.029 0.000 2.492 629 F HA 0.819 5.346 4.527 -0.001 0.000 0.327 629 F C 0.027 175.809 175.800 -0.030 0.000 1.079 629 F CA -1.041 56.932 58.000 -0.045 0.000 0.967 629 F CB 1.633 40.576 39.000 -0.095 0.000 1.169 629 F HN 0.497 nan 8.300 nan 0.000 0.472 630 I N 1.092 121.748 120.570 0.144 0.000 3.042 630 I HA 0.323 4.492 4.170 -0.001 0.000 0.310 630 I C -0.871 175.319 176.117 0.121 0.000 1.117 630 I CA -0.792 60.569 61.300 0.103 0.000 1.003 630 I CB 2.203 40.246 38.000 0.072 0.000 1.228 630 I HN 0.463 nan 8.210 nan 0.000 0.443 631 N N 1.746 120.529 118.700 0.138 0.000 2.430 631 N HA 0.361 5.100 4.740 -0.001 0.000 0.292 631 N C -1.490 174.102 175.510 0.138 0.000 1.051 631 N CA -0.241 52.922 53.050 0.188 0.000 0.917 631 N CB 1.078 39.703 38.487 0.229 0.000 1.164 631 N HN 0.597 nan 8.380 nan 0.000 0.484 646 G N 2.209 111.041 108.800 0.054 0.000 4.477 646 G HA2 0.511 4.470 3.960 -0.001 0.000 0.319 646 G HA3 0.511 4.470 3.960 -0.001 0.000 0.319 646 G C 0.099 175.039 174.900 0.066 0.000 1.391 646 G CA 0.307 45.440 45.100 0.055 0.000 1.261 646 G HN 0.733 nan 8.290 nan 0.000 0.556 647 T N -1.676 112.924 114.554 0.076 0.000 2.841 647 T HA 0.554 4.903 4.350 -0.001 0.000 0.285 647 T C -0.372 174.397 174.700 0.116 0.000 0.991 647 T CA -0.936 61.221 62.100 0.095 0.000 0.966 647 T CB 1.975 70.889 68.868 0.077 0.000 0.962 647 T HN 0.176 nan 8.240 nan 0.000 0.438 648 N N 0.936 119.736 118.700 0.167 0.000 2.483 648 N HA 0.778 5.517 4.740 -0.001 0.000 0.285 648 N C -1.233 174.431 175.510 0.257 0.000 1.210 648 N CA -0.895 52.271 53.050 0.193 0.000 0.931 648 N CB 1.938 40.526 38.487 0.168 0.000 1.220 648 N HN 0.542 nan 8.380 nan 0.000 0.542 649 V N 0.573 120.624 119.914 0.229 0.000 2.686 649 V HA 0.411 4.530 4.120 -0.001 0.000 0.306 649 V C -0.527 175.698 176.094 0.219 0.000 1.065 649 V CA -0.837 61.583 62.300 0.200 0.000 0.894 649 V CB 1.724 33.612 31.823 0.108 0.000 1.004 649 V HN 0.582 nan 8.190 nan 0.000 0.424 650 R N 3.926 124.580 120.500 0.256 0.000 2.229 650 R HA 0.552 4.891 4.340 -0.001 0.000 0.328 650 R C -0.543 175.808 176.300 0.085 0.000 1.009 650 R CA -0.380 55.849 56.100 0.214 0.000 0.864 650 R CB 0.935 31.430 30.300 0.325 0.000 1.085 650 R HN 0.735 nan 8.270 nan 0.000 0.453 651 R N 2.495 123.009 120.500 0.024 0.000 2.787 651 R HA 0.265 4.604 4.340 -0.001 0.000 0.271 651 R C -0.440 175.785 176.300 -0.125 0.000 0.993 651 R CA -0.988 55.081 56.100 -0.052 0.000 0.993 651 R CB 1.634 31.890 30.300 -0.073 0.000 1.155 651 R HN 0.345 nan 8.270 nan 0.000 0.486 652 K N 2.561 122.866 120.400 -0.158 0.000 2.453 652 K HA 0.061 4.381 4.320 -0.001 0.000 0.280 652 K C -2.236 174.147 176.600 -0.362 0.000 1.045 652 K CA -0.989 55.169 56.287 -0.215 0.000 1.059 652 K CB 0.368 32.769 32.500 -0.165 0.000 0.901 652 K HN 0.171 nan 8.250 nan 0.000 0.475 653 P HA -0.040 nan 4.420 nan 0.000 0.269 653 P C -0.742 176.261 177.300 -0.494 0.000 1.209 653 P CA 0.017 62.603 63.100 -0.857 0.000 0.776 653 P CB 0.303 31.109 31.700 -1.490 0.000 0.876 654 F N 0.700 120.543 119.950 -0.179 0.000 2.629 654 F HA -0.076 4.451 4.527 0.000 0.000 0.377 654 F C 2.076 177.864 175.800 -0.020 0.000 1.101 654 F CA 0.736 58.729 58.000 -0.012 0.000 1.301 654 F CB -0.271 38.804 39.000 0.124 0.000 1.062 654 F HN 0.337 nan 8.300 nan 0.000 0.583 655 S N 2.495 118.310 115.700 0.192 0.000 2.374 655 S HA -0.233 4.236 4.470 -0.001 0.000 0.227 655 S C 0.672 175.321 174.600 0.080 0.000 1.037 655 S CA 0.616 58.873 58.200 0.095 0.000 1.024 655 S CB -0.391 62.859 63.200 0.083 0.000 0.861 655 S HN 0.480 nan 8.310 nan 0.000 0.456 656 F N 3.028 122.995 119.950 0.027 0.000 2.629 656 F HA 0.052 4.577 4.527 -0.004 0.000 0.369 656 F C 0.394 176.096 175.800 -0.164 0.000 1.125 656 F CA 0.147 58.100 58.000 -0.078 0.000 1.330 656 F CB 0.479 39.421 39.000 -0.096 0.000 1.071 656 F HN -0.164 nan 8.300 nan 0.000 0.595 657 K N 8.159 128.154 120.400 -0.675 0.000 2.240 657 K HA 0.003 4.322 4.320 -0.001 0.000 0.271 657 K C 0.898 177.063 176.600 -0.726 0.000 1.018 657 K CA -0.473 55.200 56.287 -1.024 0.000 0.874 657 K CB 0.614 32.051 32.500 -1.772 0.000 1.098 657 K HN 0.853 nan 8.250 nan 0.000 0.458 658 W N 3.195 124.318 121.300 -0.294 0.000 2.325 658 W HA -0.237 4.422 4.660 -0.001 0.000 0.299 658 W C 0.967 177.694 176.519 0.346 0.000 1.215 658 W CA 0.949 58.378 57.345 0.141 0.000 1.244 658 W CB -0.951 28.631 29.460 0.202 0.000 1.140 658 W HN 0.744 nan 8.180 nan 0.000 0.523 659 W N 2.109 123.188 121.300 -0.368 0.000 2.595 659 W HA 0.113 4.771 4.660 -0.003 0.000 0.257 659 W C 1.128 177.691 176.519 0.075 0.000 1.267 659 W CA 1.075 58.211 57.345 -0.349 0.000 1.300 659 W CB -1.863 27.003 29.460 -0.990 0.000 1.120 659 W HN -0.138 nan 8.180 nan 0.000 0.618 660 N N 0.378 119.006 118.700 -0.120 0.000 2.461 660 N HA 0.017 4.756 4.740 -0.001 0.000 0.188 660 N C 1.055 176.791 175.510 0.377 0.000 1.134 660 N CA -0.082 52.985 53.050 0.028 0.000 0.878 660 N CB -0.083 38.137 38.487 -0.444 0.000 0.972 660 N HN 0.124 nan 8.380 nan 0.000 0.456 661 M N 0.950 120.883 119.600 0.556 0.000 1.868 661 M HA 0.089 4.568 4.480 -0.001 0.000 0.227 661 M C -0.096 176.357 176.300 0.255 0.000 1.334 661 M CA 0.286 55.797 55.300 0.352 0.000 0.974 661 M CB 0.732 33.469 32.600 0.228 0.000 1.303 661 M HN -0.086 nan 8.290 nan 0.000 0.446 662 V N -0.019 119.895 119.914 0.001 0.000 2.666 662 V HA 0.411 4.530 4.120 -0.001 0.000 0.261 662 V C -2.616 173.312 176.094 -0.278 0.000 0.892 662 V CA -1.449 60.803 62.300 -0.080 0.000 0.937 662 V CB -0.561 31.259 31.823 -0.007 0.000 1.063 662 V HN 0.649 nan 8.190 nan 0.000 0.494 663 P HA 0.000 nan 4.420 nan 0.000 0.216 663 P CA 0.000 62.844 63.100 -0.427 0.000 0.800 663 P CB 0.000 31.351 31.700 -0.581 0.000 0.726