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 1hj3_1_A DATA FIRST_RESID 17 DATA SEQUENCE HKTRTDNRYE PSLDNLAQQD VAAPGAPEGV SALSDAQYNE ANKIYFERCA DATA SEQUENCE GCHGVLRKGA TGKALTPDLT RDLGFDYLQS FITYGSPAGM PXXXXXXXLS DATA SEQUENCE AEQVDLMANY LLLDPAAPPE FGMKEMRESW KVHVAPEDRP TQQENDWDLE DATA SEQUENCE NLFSVTLRDA GQIALIDGAT YEIKSVLDTG YAVHISRLSA SGRYLFVIGR DATA SEQUENCE DGKVNMIDLW MKEPTTVAEI KIGSEARSIE TSKMEGWEDK YAIAGAYWPP DATA SEQUENCE QYVIMDGETL EPKKIQSTRG MTYDEQEYHP EPRVAAILAS HYRPEFIVNV DATA SEQUENCE KETGKILLVD YTDLDNLKTT EISAERFLHD GGLDGSHRYF ITAANARNKL DATA SEQUENCE VVIDTKEGKL VAIEDTGGQT PHPGRGANFV HPTFGPVWAT SHMGDDSVAL DATA SEQUENCE IGTDPEGHPD NAWKILDSFP ALGGGSLFIK THPNSQYLYV DATLNPEAEI DATA SEQUENCE SGSVAVFDIK AMTGDGSDPE FKTLPIAEWA GITEGQPRVV QGEFNKDGTE DATA SEQUENCE VWFSVWNGKD QESALVVVDD KTLELKHVIK DERLVTPTGK FNVYNTMTDT DATA SEQUENCE Y 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 17 H HA 0.000 nan 4.556 nan 0.000 0.296 17 H C 0.000 175.309 175.328 -0.031 0.000 0.993 17 H CA 0.000 56.059 56.048 0.018 0.000 1.023 17 H CB 0.000 29.758 29.762 -0.007 0.000 1.292 18 K N 1.583 121.989 120.400 0.011 0.000 2.208 18 K HA 0.343 4.665 4.320 0.002 0.000 0.247 18 K C -0.014 176.566 176.600 -0.032 0.000 0.953 18 K CA -0.567 55.705 56.287 -0.025 0.000 0.837 18 K CB 1.802 34.278 32.500 -0.042 0.000 1.131 18 K HN -0.034 nan 8.250 nan 0.000 0.431 19 T N 3.494 118.027 114.554 -0.034 0.000 2.817 19 T HA 0.169 4.520 4.350 0.002 0.000 0.295 19 T C 0.579 175.262 174.700 -0.028 0.000 0.958 19 T CA 0.148 62.228 62.100 -0.033 0.000 1.157 19 T CB 0.247 69.097 68.868 -0.030 0.000 0.898 19 T HN 0.197 nan 8.240 nan 0.000 0.536 20 R N 1.227 121.710 120.500 -0.028 0.000 2.810 20 R HA 0.426 4.768 4.340 0.002 0.000 0.245 20 R C 1.847 178.134 176.300 -0.021 0.000 1.168 20 R CA -0.645 55.441 56.100 -0.024 0.000 1.096 20 R CB 0.416 30.701 30.300 -0.025 0.000 1.259 20 R HN 0.681 nan 8.270 nan 0.000 0.518 21 T N -2.710 111.832 114.554 -0.019 0.000 3.067 21 T HA -0.056 4.295 4.350 0.002 0.000 0.261 21 T C 0.707 175.395 174.700 -0.020 0.000 1.110 21 T CA 0.889 62.978 62.100 -0.018 0.000 1.113 21 T CB -0.088 68.769 68.868 -0.018 0.000 0.917 21 T HN 0.664 nan 8.240 nan 0.000 0.499 22 D N 1.202 121.590 120.400 -0.020 0.000 2.479 22 D HA 0.054 4.695 4.640 0.002 0.000 0.218 22 D C 0.666 176.954 176.300 -0.022 0.000 1.177 22 D CA -0.381 53.606 54.000 -0.022 0.000 0.830 22 D CB -0.584 40.206 40.800 -0.017 0.000 1.014 22 D HN 0.560 nan 8.370 nan 0.000 0.503 23 N N 0.398 119.085 118.700 -0.020 0.000 2.351 23 N HA 0.102 4.843 4.740 0.002 0.000 0.254 23 N C 0.623 176.123 175.510 -0.017 0.000 1.241 23 N CA -0.425 52.607 53.050 -0.031 0.000 0.883 23 N CB 0.089 38.547 38.487 -0.048 0.000 1.202 23 N HN 0.038 nan 8.380 nan 0.000 0.512 24 R N -1.237 119.273 120.500 0.017 0.000 2.335 24 R HA 0.140 4.481 4.340 0.002 0.000 0.210 24 R C -0.185 176.160 176.300 0.075 0.000 0.892 24 R CA -0.035 56.083 56.100 0.031 0.000 1.048 24 R CB 0.175 30.497 30.300 0.035 0.000 1.067 24 R HN 0.135 nan 8.270 nan 0.000 0.524 25 Y N 2.564 122.837 120.300 -0.044 0.000 2.933 25 Y HA 0.171 4.722 4.550 0.002 0.000 0.380 25 Y C -0.369 175.510 175.900 -0.034 0.000 1.056 25 Y CA -0.249 57.834 58.100 -0.028 0.000 1.704 25 Y CB 0.044 38.448 38.460 -0.094 0.000 1.558 25 Y HN -0.169 nan 8.280 nan 0.000 0.501 26 E N 1.369 121.555 120.200 -0.023 0.000 2.195 26 E HA 0.321 4.673 4.350 0.002 0.000 0.271 26 E C -2.428 174.146 176.600 -0.043 0.000 0.923 26 E CA -2.378 53.995 56.400 -0.045 0.000 0.790 26 E CB 1.086 30.748 29.700 -0.063 0.000 1.155 26 E HN 0.215 nan 8.360 nan 0.000 0.402 27 P HA -0.063 nan 4.420 nan 0.000 0.261 27 P C -0.529 176.794 177.300 0.037 0.000 1.173 27 P CA 0.399 63.550 63.100 0.086 0.000 0.760 27 P CB 0.438 32.166 31.700 0.048 0.000 0.783 28 S N 2.824 118.564 115.700 0.065 0.000 2.566 28 S HA 0.381 4.853 4.470 0.002 0.000 0.324 28 S C -0.348 174.302 174.600 0.083 0.000 1.081 28 S CA -0.681 57.549 58.200 0.050 0.000 1.105 28 S CB -0.201 63.030 63.200 0.052 0.000 0.981 28 S HN 0.152 nan 8.310 nan 0.000 0.464 29 L N 5.596 126.858 121.223 0.066 0.000 2.536 29 L HA 0.311 4.652 4.340 0.002 0.000 0.242 29 L C 0.818 177.769 176.870 0.135 0.000 1.280 29 L CA -0.067 54.828 54.840 0.091 0.000 1.221 29 L CB 0.199 42.259 42.059 0.002 0.000 1.449 29 L HN 0.651 nan 8.230 nan 0.000 0.405 30 D N -1.638 118.833 120.400 0.119 0.000 2.289 30 D HA -0.132 4.509 4.640 0.002 0.000 0.207 30 D C 1.606 177.966 176.300 0.100 0.000 0.966 30 D CA 0.604 54.668 54.000 0.107 0.000 0.868 30 D CB 0.020 40.876 40.800 0.093 0.000 0.943 30 D HN 0.311 nan 8.370 nan 0.000 0.514 31 N N -0.197 118.570 118.700 0.111 0.000 2.290 31 N HA -0.059 4.683 4.740 0.002 0.000 0.179 31 N C 1.492 177.078 175.510 0.127 0.000 1.016 31 N CA 0.333 53.441 53.050 0.096 0.000 0.871 31 N CB -0.160 38.383 38.487 0.093 0.000 0.987 31 N HN 0.104 nan 8.380 nan 0.000 0.431 32 L N 0.342 121.670 121.223 0.175 0.000 2.217 32 L HA 0.247 4.589 4.340 0.002 0.000 0.211 32 L C 1.843 178.914 176.870 0.336 0.000 1.107 32 L CA 1.313 56.304 54.840 0.251 0.000 0.783 32 L CB -0.777 41.421 42.059 0.231 0.000 0.919 32 L HN 0.216 nan 8.230 nan 0.000 0.442 33 A N -1.459 121.541 122.820 0.300 0.000 2.168 33 A HA -0.128 4.194 4.320 0.002 0.000 0.215 33 A C 2.024 179.624 177.584 0.026 0.000 1.152 33 A CA 0.946 53.077 52.037 0.156 0.000 0.716 33 A CB -0.424 18.672 19.000 0.161 0.000 0.794 33 A HN 0.646 nan 8.150 nan 0.000 0.465 34 Q N -0.244 119.590 119.800 0.056 0.000 2.451 34 Q HA 0.019 4.360 4.340 0.002 0.000 0.206 34 Q C 0.036 176.051 176.000 0.026 0.000 0.947 34 Q CA 0.184 56.003 55.803 0.027 0.000 0.937 34 Q CB 0.128 28.884 28.738 0.030 0.000 1.025 34 Q HN 0.722 nan 8.270 nan 0.000 0.511 35 Q N 2.047 121.870 119.800 0.039 0.000 2.286 35 Q HA 0.083 4.425 4.340 0.002 0.000 0.257 35 Q C -0.771 175.227 176.000 -0.004 0.000 0.941 35 Q CA -0.387 55.441 55.803 0.042 0.000 0.912 35 Q CB 0.753 29.543 28.738 0.087 0.000 1.192 35 Q HN 0.161 nan 8.270 nan 0.000 0.410 36 D N 0.273 120.681 120.400 0.014 0.000 2.304 36 D HA 0.347 4.989 4.640 0.002 0.000 0.247 36 D C -0.311 176.003 176.300 0.024 0.000 1.089 36 D CA -0.683 53.321 54.000 0.008 0.000 0.910 36 D CB 1.065 41.876 40.800 0.019 0.000 1.199 36 D HN 0.230 nan 8.370 nan 0.000 0.426 37 V N -1.642 118.294 119.914 0.038 0.000 3.113 37 V HA 0.923 5.044 4.120 0.002 0.000 0.316 37 V C -0.166 175.976 176.094 0.079 0.000 1.125 37 V CA -1.259 61.083 62.300 0.071 0.000 1.026 37 V CB 1.178 33.070 31.823 0.115 0.000 1.080 37 V HN 0.930 nan 8.190 nan 0.000 0.444 38 A N 1.070 123.909 122.820 0.031 0.000 2.304 38 A HA 0.899 5.220 4.320 0.002 0.000 0.301 38 A C 0.397 177.872 177.584 -0.181 0.000 1.132 38 A CA -0.175 51.841 52.037 -0.034 0.000 0.819 38 A CB 0.803 19.776 19.000 -0.046 0.000 1.094 38 A HN 2.202 nan 8.150 nan 0.000 0.492 39 A N 3.471 126.165 122.820 -0.209 0.000 2.362 39 A HA 0.612 4.934 4.320 0.002 0.000 0.276 39 A C -1.783 175.558 177.584 -0.405 0.000 1.153 39 A CA -1.131 50.629 52.037 -0.462 0.000 0.813 39 A CB -0.517 18.377 19.000 -0.177 0.000 1.081 39 A HN 0.713 nan 8.150 nan 0.000 0.507 40 P HA 0.392 nan 4.420 nan 0.000 0.276 40 P C 0.364 177.542 177.300 -0.203 0.000 1.261 40 P CA -0.119 62.789 63.100 -0.321 0.000 0.800 40 P CB 0.780 32.274 31.700 -0.342 0.000 1.066 41 G N -0.647 108.075 108.800 -0.131 0.000 2.537 41 G HA2 0.517 4.478 3.960 0.002 0.000 0.273 41 G HA3 0.517 4.478 3.960 0.002 0.000 0.273 41 G C -0.880 173.976 174.900 -0.074 0.000 1.189 41 G CA -0.455 44.594 45.100 -0.086 0.000 0.881 41 G HN 0.668 nan 8.290 nan 0.000 0.535 42 A N 2.007 124.797 122.820 -0.050 0.000 2.318 42 A HA 0.806 5.127 4.320 0.002 0.000 0.324 42 A C -1.716 175.850 177.584 -0.029 0.000 1.170 42 A CA -1.227 50.788 52.037 -0.036 0.000 0.810 42 A CB 1.126 20.112 19.000 -0.024 0.000 1.198 42 A HN 0.637 nan 8.150 nan 0.000 0.484 43 P HA 0.161 nan 4.420 nan 0.000 0.275 43 P C -0.302 176.989 177.300 -0.016 0.000 1.266 43 P CA -0.501 62.587 63.100 -0.020 0.000 0.793 43 P CB 0.516 32.205 31.700 -0.019 0.000 1.074 44 E N -0.090 120.101 120.200 -0.014 0.000 2.452 44 E HA 0.118 4.470 4.350 0.002 0.000 0.261 44 E C 1.082 177.677 176.600 -0.009 0.000 0.987 44 E CA 1.404 57.797 56.400 -0.012 0.000 0.926 44 E CB -0.141 29.553 29.700 -0.011 0.000 0.934 44 E HN 0.795 nan 8.360 nan 0.000 0.452 45 G N 2.691 111.485 108.800 -0.010 0.000 2.194 45 G HA2 -0.232 3.729 3.960 0.002 0.000 0.236 45 G HA3 -0.232 3.729 3.960 0.002 0.000 0.236 45 G C -0.091 174.806 174.900 -0.005 0.000 0.987 45 G CA 0.175 45.270 45.100 -0.007 0.000 0.635 45 G HN 0.502 nan 8.290 nan 0.000 0.520 46 V N 1.094 121.004 119.914 -0.007 0.000 2.680 46 V HA 0.737 4.858 4.120 0.002 0.000 0.309 46 V C 0.173 176.259 176.094 -0.013 0.000 1.052 46 V CA -0.375 61.923 62.300 -0.002 0.000 0.908 46 V CB 1.997 33.825 31.823 0.008 0.000 1.001 46 V HN 0.322 nan 8.190 nan 0.000 0.431 47 S N 2.739 118.429 115.700 -0.016 0.000 2.462 47 S HA 0.719 5.190 4.470 0.002 0.000 0.294 47 S C 0.255 174.859 174.600 0.005 0.000 1.144 47 S CA -0.382 57.805 58.200 -0.021 0.000 1.088 47 S CB 1.589 64.759 63.200 -0.050 0.000 1.009 47 S HN 1.062 nan 8.310 nan 0.000 0.484 48 A N 3.323 126.143 122.820 0.001 0.000 2.407 48 A HA 0.540 4.861 4.320 0.002 0.000 0.248 48 A C -0.183 177.426 177.584 0.041 0.000 1.082 48 A CA -0.348 51.695 52.037 0.010 0.000 0.785 48 A CB -0.006 18.986 19.000 -0.014 0.000 1.020 48 A HN 0.832 nan 8.150 nan 0.000 0.489 49 L N 1.979 123.253 121.223 0.084 0.000 2.325 49 L HA 0.365 4.706 4.340 0.002 0.000 0.279 49 L C 1.112 178.043 176.870 0.101 0.000 1.054 49 L CA -0.539 54.378 54.840 0.130 0.000 0.804 49 L CB 1.754 43.965 42.059 0.253 0.000 1.200 49 L HN 0.965 nan 8.230 nan 0.000 0.436 50 S N -0.168 115.582 115.700 0.085 0.000 2.606 50 S HA -0.034 4.437 4.470 0.002 0.000 0.257 50 S C 0.744 175.398 174.600 0.090 0.000 1.327 50 S CA -0.291 57.946 58.200 0.061 0.000 0.984 50 S CB 1.024 64.251 63.200 0.046 0.000 0.941 50 S HN 0.755 nan 8.310 nan 0.000 0.576 51 D N 1.310 121.746 120.400 0.060 0.000 2.103 51 D HA -0.171 4.470 4.640 0.002 0.000 0.190 51 D C 2.113 178.469 176.300 0.093 0.000 0.997 51 D CA 2.308 56.350 54.000 0.070 0.000 0.833 51 D CB -0.860 39.963 40.800 0.038 0.000 0.961 51 D HN 0.692 nan 8.370 nan 0.000 0.447 52 A N 0.079 122.937 122.820 0.063 0.000 1.883 52 A HA -0.245 4.076 4.320 0.002 0.000 0.217 52 A C 2.282 179.899 177.584 0.056 0.000 1.186 52 A CA 2.081 54.147 52.037 0.048 0.000 0.624 52 A CB -0.849 18.170 19.000 0.032 0.000 0.822 52 A HN 0.431 nan 8.150 nan 0.000 0.444 53 Q N -2.124 117.720 119.800 0.073 0.000 2.061 53 Q HA -0.228 4.113 4.340 0.002 0.000 0.204 53 Q C 2.073 178.131 176.000 0.098 0.000 0.984 53 Q CA 1.983 57.832 55.803 0.076 0.000 0.846 53 Q CB -0.369 28.424 28.738 0.092 0.000 0.902 53 Q HN 0.819 nan 8.270 nan 0.000 0.421 54 Y N 1.646 121.976 120.300 0.050 0.000 2.181 54 Y HA -0.198 4.354 4.550 0.002 0.000 0.288 54 Y C 1.937 177.869 175.900 0.053 0.000 1.146 54 Y CA 1.413 59.568 58.100 0.092 0.000 1.164 54 Y CB -0.062 38.443 38.460 0.075 0.000 0.982 54 Y HN 0.138 nan 8.280 nan 0.000 0.515 55 N N 0.211 118.973 118.700 0.104 0.000 2.188 55 N HA -0.211 4.530 4.740 0.002 0.000 0.184 55 N C 1.865 177.308 175.510 -0.111 0.000 1.018 55 N CA 1.492 54.534 53.050 -0.012 0.000 0.858 55 N CB -0.292 38.211 38.487 0.027 0.000 0.989 55 N HN 0.572 nan 8.380 nan 0.000 0.426 56 E N 0.980 121.134 120.200 -0.078 0.000 2.077 56 E HA -0.116 4.236 4.350 0.002 0.000 0.193 56 E C 1.858 178.356 176.600 -0.170 0.000 0.989 56 E CA 0.999 57.343 56.400 -0.093 0.000 0.800 56 E CB 0.037 29.709 29.700 -0.046 0.000 0.746 56 E HN 0.294 nan 8.360 nan 0.000 0.452 57 A N 0.912 123.587 122.820 -0.241 0.000 1.930 57 A HA -0.205 4.116 4.320 0.002 0.000 0.217 57 A C 1.942 179.099 177.584 -0.710 0.000 1.175 57 A CA 1.670 53.457 52.037 -0.416 0.000 0.627 57 A CB -0.753 18.002 19.000 -0.408 0.000 0.815 57 A HN 0.343 nan 8.150 nan 0.000 0.443 58 N N -0.173 118.102 118.700 -0.709 0.000 2.120 58 N HA -0.190 4.552 4.740 0.002 0.000 0.188 58 N C 1.753 176.992 175.510 -0.452 0.000 1.024 58 N CA 1.899 54.550 53.050 -0.665 0.000 0.852 58 N CB -0.237 37.957 38.487 -0.488 0.000 1.003 58 N HN 0.537 nan 8.380 nan 0.000 0.424 59 K N 0.232 120.445 120.400 -0.313 0.000 2.057 59 K HA -0.082 4.240 4.320 0.002 0.000 0.207 59 K C 1.862 178.411 176.600 -0.084 0.000 1.049 59 K CA 1.248 57.432 56.287 -0.171 0.000 0.931 59 K CB -0.140 32.290 32.500 -0.117 0.000 0.714 59 K HN 0.244 nan 8.250 nan 0.000 0.440 60 I N 0.111 120.610 120.570 -0.120 0.000 2.179 60 I HA -0.278 3.893 4.170 0.002 0.000 0.242 60 I C 2.290 178.382 176.117 -0.041 0.000 1.088 60 I CA 1.206 62.460 61.300 -0.077 0.000 1.357 60 I CB -0.405 37.540 38.000 -0.093 0.000 1.051 60 I HN 0.224 nan 8.210 nan 0.000 0.409 61 Y N 1.183 121.371 120.300 -0.187 0.000 2.128 61 Y HA -0.302 4.250 4.550 0.002 0.000 0.284 61 Y C 2.317 178.329 175.900 0.187 0.000 1.154 61 Y CA 1.749 59.815 58.100 -0.057 0.000 1.149 61 Y CB -0.321 38.013 38.460 -0.209 0.000 0.976 61 Y HN -0.030 nan 8.280 nan 0.000 0.505 62 F N 0.740 120.675 119.950 -0.024 0.000 2.186 62 F HA -0.140 4.388 4.527 0.002 0.000 0.299 62 F C 2.313 178.065 175.800 -0.080 0.000 1.090 62 F CA 1.590 59.570 58.000 -0.034 0.000 1.307 62 F CB -0.816 38.197 39.000 0.023 0.000 1.019 62 F HN 0.194 nan 8.300 nan 0.000 0.489 63 E N -0.404 119.864 120.200 0.112 0.000 2.076 63 E HA -0.104 4.247 4.350 0.002 0.000 0.190 63 E C 2.081 178.671 176.600 -0.018 0.000 0.979 63 E CA 0.970 57.397 56.400 0.044 0.000 0.807 63 E CB -0.013 29.707 29.700 0.034 0.000 0.761 63 E HN 0.395 nan 8.360 nan 0.000 0.454 64 R N -0.960 119.502 120.500 -0.063 0.000 2.316 64 R HA 0.200 4.541 4.340 0.002 0.000 0.201 64 R C 1.770 177.984 176.300 -0.143 0.000 0.888 64 R CA 0.306 56.355 56.100 -0.084 0.000 1.041 64 R CB 0.489 30.752 30.300 -0.062 0.000 1.115 64 R HN 0.161 nan 8.270 nan 0.000 0.559 65 C N -0.445 118.688 119.300 -0.278 0.000 2.800 65 C HA 0.379 4.841 4.460 0.002 0.000 0.379 65 C C 2.594 177.305 174.990 -0.465 0.000 1.304 65 C CA 0.073 58.871 59.018 -0.367 0.000 1.960 65 C CB 0.196 27.564 27.740 -0.620 0.000 2.599 65 C HN 0.483 nan 8.230 nan 0.000 0.578 66 A N 1.744 124.182 122.820 -0.636 0.000 1.978 66 A HA 0.087 4.408 4.320 0.002 0.000 0.220 66 A C 2.280 179.762 177.584 -0.170 0.000 1.170 66 A CA 2.121 53.933 52.037 -0.375 0.000 0.636 66 A CB -1.210 17.574 19.000 -0.359 0.000 0.810 66 A HN 0.563 nan 8.150 nan 0.000 0.448 67 G N -0.789 107.919 108.800 -0.153 0.000 2.491 67 G HA2 -0.327 3.635 3.960 0.002 0.000 0.218 67 G HA3 -0.327 3.635 3.960 0.002 0.000 0.218 67 G C 1.552 176.383 174.900 -0.116 0.000 1.180 67 G CA 1.506 46.539 45.100 -0.112 0.000 0.774 67 G HN 0.547 nan 8.290 nan 0.000 0.562 68 C N -1.049 118.162 119.300 -0.148 0.000 2.504 68 C HA 0.262 4.723 4.460 0.002 0.000 0.279 68 C C 2.263 177.095 174.990 -0.264 0.000 1.358 68 C CA 0.296 59.173 59.018 -0.234 0.000 1.747 68 C CB -0.701 26.836 27.740 -0.338 0.000 2.037 68 C HN 0.505 nan 8.230 nan 0.000 0.503 69 H N 0.084 119.163 119.070 0.016 0.000 2.654 69 H HA 0.299 4.856 4.556 0.002 0.000 0.264 69 H C 1.294 176.710 175.328 0.146 0.000 0.954 69 H CA 1.251 57.364 56.048 0.108 0.000 1.199 69 H CB 0.350 30.223 29.762 0.186 0.000 1.446 69 H HN 0.517 nan 8.280 nan 0.000 0.516 70 G N 0.702 109.615 108.800 0.187 0.000 2.712 70 G HA2 -0.230 3.731 3.960 0.002 0.000 0.686 70 G HA3 -0.230 3.731 3.960 0.002 0.000 0.686 70 G C 0.931 175.944 174.900 0.189 0.000 1.181 70 G CA -0.036 45.156 45.100 0.154 0.000 0.762 70 G HN 0.287 nan 8.290 nan 0.000 0.641 71 V N -0.073 119.830 119.914 -0.018 0.000 2.626 71 V HA 0.055 4.176 4.120 0.002 0.000 0.252 71 V C 2.381 178.479 176.094 0.008 0.000 1.067 71 V CA 2.343 64.538 62.300 -0.175 0.000 1.081 71 V CB -0.561 30.796 31.823 -0.777 0.000 0.686 71 V HN 0.750 nan 8.190 nan 0.000 0.468 72 L N -0.574 120.668 121.223 0.031 0.000 2.567 72 L HA 0.357 4.698 4.340 0.002 0.000 0.225 72 L C 1.444 178.357 176.870 0.072 0.000 1.119 72 L CA 0.167 55.040 54.840 0.055 0.000 0.871 72 L CB -0.258 41.853 42.059 0.087 0.000 1.036 72 L HN 0.320 nan 8.230 nan 0.000 0.459 73 R N -0.564 120.021 120.500 0.142 0.000 3.776 73 R HA -0.144 4.197 4.340 0.002 0.000 0.312 73 R C 0.456 176.821 176.300 0.108 0.000 1.181 73 R CA 0.315 56.513 56.100 0.163 0.000 0.836 73 R CB -1.611 28.727 30.300 0.062 0.000 1.324 73 R HN 0.273 nan 8.270 nan 0.000 0.501 74 K N 0.883 121.324 120.400 0.068 0.000 2.404 74 K HA 0.123 4.445 4.320 0.002 0.000 0.194 74 K C 1.002 177.612 176.600 0.018 0.000 1.023 74 K CA 1.014 57.288 56.287 -0.021 0.000 1.094 74 K CB 0.745 33.136 32.500 -0.181 0.000 0.841 74 K HN 0.542 nan 8.250 nan 0.000 0.523 75 G N 0.523 109.409 108.800 0.142 0.000 2.777 75 G HA2 -0.005 3.956 3.960 0.002 0.000 0.686 75 G HA3 -0.005 3.956 3.960 0.002 0.000 0.686 75 G C -0.110 174.948 174.900 0.263 0.000 1.177 75 G CA -0.322 44.896 45.100 0.196 0.000 0.775 75 G HN 0.340 nan 8.290 nan 0.000 0.613 76 A N 0.830 123.771 122.820 0.201 0.000 2.218 76 A HA 0.862 5.184 4.320 0.002 0.000 0.198 76 A C 2.303 180.010 177.584 0.205 0.000 1.857 76 A CA 1.298 53.498 52.037 0.271 0.000 1.620 76 A CB -0.613 18.478 19.000 0.151 0.000 1.424 76 A HN 2.265 nan 8.150 nan 0.000 0.562 77 T N -1.432 113.070 114.554 -0.087 0.000 2.942 77 T HA 0.309 4.661 4.350 0.002 0.000 0.265 77 T C 1.046 175.611 174.700 -0.225 0.000 1.062 77 T CA 1.032 62.908 62.100 -0.374 0.000 1.139 77 T CB -0.639 67.986 68.868 -0.405 0.000 0.883 77 T HN 0.939 nan 8.240 nan 0.000 0.468 78 G N 1.686 110.337 108.800 -0.249 0.000 2.412 78 G HA2 0.536 4.497 3.960 0.002 0.000 0.318 78 G HA3 0.536 4.497 3.960 0.002 0.000 0.318 78 G C -0.417 174.463 174.900 -0.033 0.000 1.146 78 G CA -1.167 43.756 45.100 -0.294 0.000 0.882 78 G HN 0.681 nan 8.290 nan 0.000 0.501 79 K N 0.085 120.570 120.400 0.141 0.000 2.230 79 K HA 0.562 4.883 4.320 0.002 0.000 0.253 79 K C 0.442 177.207 176.600 0.275 0.000 1.008 79 K CA -0.188 56.210 56.287 0.184 0.000 0.910 79 K CB 0.602 33.183 32.500 0.134 0.000 0.994 79 K HN 0.470 nan 8.250 nan 0.000 0.495 80 A N 1.649 124.568 122.820 0.166 0.000 2.466 80 A HA 0.195 4.517 4.320 0.002 0.000 0.238 80 A C 0.259 177.905 177.584 0.103 0.000 1.074 80 A CA -0.269 51.849 52.037 0.136 0.000 0.774 80 A CB -0.254 18.786 19.000 0.066 0.000 1.015 80 A HN 0.728 nan 8.150 nan 0.000 0.498 81 L N 2.068 123.337 121.223 0.077 0.000 3.291 81 L HA 0.152 4.493 4.340 0.002 0.000 0.307 81 L C 0.475 177.339 176.870 -0.010 0.000 1.303 81 L CA -0.288 54.556 54.840 0.007 0.000 0.949 81 L CB 0.077 42.111 42.059 -0.042 0.000 1.375 81 L HN 0.884 nan 8.230 nan 0.000 0.596 82 T N -3.549 111.005 114.554 -0.001 0.000 2.898 82 T HA 0.172 4.523 4.350 0.002 0.000 0.301 82 T C -1.683 173.001 174.700 -0.026 0.000 1.049 82 T CA -1.331 60.758 62.100 -0.017 0.000 1.095 82 T CB 0.934 69.799 68.868 -0.005 0.000 0.976 82 T HN -0.108 nan 8.240 nan 0.000 0.539 83 P HA -0.208 nan 4.420 nan 0.000 0.216 83 P C 1.517 178.806 177.300 -0.018 0.000 1.157 83 P CA 1.519 64.600 63.100 -0.033 0.000 0.880 83 P CB -0.055 31.622 31.700 -0.039 0.000 0.791 84 D N -0.607 119.783 120.400 -0.015 0.000 2.123 84 D HA -0.167 4.475 4.640 0.002 0.000 0.196 84 D C 1.764 178.056 176.300 -0.013 0.000 0.992 84 D CA 1.329 55.322 54.000 -0.012 0.000 0.833 84 D CB -1.079 39.716 40.800 -0.009 0.000 0.954 84 D HN 0.114 nan 8.370 nan 0.000 0.455 85 L N 0.927 122.141 121.223 -0.014 0.000 2.044 85 L HA -0.053 4.288 4.340 0.002 0.000 0.205 85 L C 2.913 179.769 176.870 -0.023 0.000 1.075 85 L CA 2.064 56.892 54.840 -0.019 0.000 0.747 85 L CB -1.359 40.691 42.059 -0.014 0.000 0.903 85 L HN 0.297 nan 8.230 nan 0.000 0.435 86 T N -3.278 111.267 114.554 -0.015 0.000 2.951 86 T HA -0.140 4.211 4.350 0.002 0.000 0.268 86 T C 2.042 176.751 174.700 0.016 0.000 1.073 86 T CA 0.740 62.839 62.100 -0.001 0.000 1.134 86 T CB -0.268 68.600 68.868 -0.000 0.000 0.884 86 T HN 0.212 nan 8.240 nan 0.000 0.479 87 R N 1.097 121.603 120.500 0.010 0.000 2.148 87 R HA 0.027 4.368 4.340 0.002 0.000 0.223 87 R C 1.918 178.224 176.300 0.011 0.000 1.088 87 R CA 1.294 57.406 56.100 0.020 0.000 0.985 87 R CB -0.183 30.124 30.300 0.012 0.000 0.880 87 R HN 0.422 nan 8.270 nan 0.000 0.451 88 D N 0.723 121.117 120.400 -0.010 0.000 2.149 88 D HA -0.100 4.541 4.640 0.002 0.000 0.201 88 D C 1.911 178.184 176.300 -0.046 0.000 0.972 88 D CA 0.958 54.942 54.000 -0.027 0.000 0.835 88 D CB -0.060 40.717 40.800 -0.039 0.000 0.966 88 D HN 0.180 nan 8.370 nan 0.000 0.476 89 L N 0.007 121.196 121.223 -0.056 0.000 2.027 89 L HA 0.101 4.442 4.340 0.002 0.000 0.206 89 L C 1.290 178.170 176.870 0.016 0.000 1.074 89 L CA 0.864 55.642 54.840 -0.103 0.000 0.745 89 L CB -0.795 41.211 42.059 -0.088 0.000 0.898 89 L HN 0.148 nan 8.230 nan 0.000 0.433 90 G N -1.533 107.314 108.800 0.078 0.000 2.690 90 G HA2 -0.283 3.678 3.960 0.002 0.000 0.686 90 G HA3 -0.283 3.678 3.960 0.002 0.000 0.686 90 G C -0.136 174.882 174.900 0.196 0.000 1.277 90 G CA -0.117 45.064 45.100 0.135 0.000 0.799 90 G HN 0.077 nan 8.290 nan 0.000 0.613 91 F N 0.964 120.958 119.950 0.073 0.000 2.069 91 F HA -0.076 4.453 4.527 0.002 0.000 0.298 91 F C 2.371 178.221 175.800 0.083 0.000 1.113 91 F CA 2.760 60.802 58.000 0.070 0.000 1.214 91 F CB -0.106 38.923 39.000 0.048 0.000 0.978 91 F HN 0.541 nan 8.300 nan 0.000 0.474 92 D N -0.642 119.912 120.400 0.256 0.000 2.126 92 D HA -0.289 4.352 4.640 0.002 0.000 0.190 92 D C 1.960 178.289 176.300 0.048 0.000 1.001 92 D CA 2.015 56.100 54.000 0.141 0.000 0.841 92 D CB -0.978 39.934 40.800 0.187 0.000 0.949 92 D HN 0.484 nan 8.370 nan 0.000 0.446 93 Y N 1.203 121.504 120.300 0.001 0.000 2.097 93 Y HA -0.199 4.352 4.550 0.002 0.000 0.282 93 Y C 2.196 178.090 175.900 -0.011 0.000 1.152 93 Y CA 1.465 59.573 58.100 0.013 0.000 1.136 93 Y CB -0.518 37.950 38.460 0.014 0.000 0.975 93 Y HN -0.055 nan 8.280 nan 0.000 0.498 94 L N 0.197 121.381 121.223 -0.065 0.000 2.013 94 L HA -0.316 4.025 4.340 0.002 0.000 0.212 94 L C 2.737 179.451 176.870 -0.260 0.000 1.073 94 L CA 2.066 56.794 54.840 -0.187 0.000 0.753 94 L CB -0.898 41.086 42.059 -0.124 0.000 0.890 94 L HN 0.347 nan 8.230 nan 0.000 0.432 95 Q N -0.107 119.441 119.800 -0.420 0.000 2.045 95 Q HA -0.229 4.112 4.340 0.002 0.000 0.206 95 Q C 2.309 178.176 176.000 -0.223 0.000 0.991 95 Q CA 2.400 57.952 55.803 -0.418 0.000 0.851 95 Q CB 0.016 28.400 28.738 -0.590 0.000 0.911 95 Q HN 0.451 nan 8.270 nan 0.000 0.418 96 S N 0.005 115.594 115.700 -0.185 0.000 2.368 96 S HA -0.124 4.347 4.470 0.002 0.000 0.224 96 S C 1.434 175.954 174.600 -0.133 0.000 1.029 96 S CA 1.075 59.184 58.200 -0.153 0.000 0.988 96 S CB -0.414 62.732 63.200 -0.090 0.000 0.838 96 S HN 0.435 nan 8.310 nan 0.000 0.462 97 F N 1.928 121.685 119.950 -0.321 0.000 2.186 97 F HA 0.055 4.583 4.527 0.002 0.000 0.299 97 F C 1.754 177.470 175.800 -0.141 0.000 1.090 97 F CA 1.071 58.900 58.000 -0.285 0.000 1.307 97 F CB -0.168 38.467 39.000 -0.607 0.000 1.019 97 F HN 0.115 nan 8.300 nan 0.000 0.489 98 I N -1.149 119.472 120.570 0.085 0.000 2.928 98 I HA -0.180 3.991 4.170 0.002 0.000 0.266 98 I C 1.960 178.099 176.117 0.036 0.000 1.234 98 I CA 0.827 62.195 61.300 0.113 0.000 1.483 98 I CB -0.680 37.361 38.000 0.068 0.000 1.097 98 I HN 0.021 nan 8.210 nan 0.000 0.455 99 T N 0.332 114.834 114.554 -0.086 0.000 2.833 99 T HA -0.192 4.159 4.350 0.002 0.000 0.269 99 T C 1.660 176.249 174.700 -0.186 0.000 1.054 99 T CA 1.531 63.527 62.100 -0.172 0.000 1.135 99 T CB -0.301 68.396 68.868 -0.285 0.000 0.869 99 T HN 0.282 nan 8.240 nan 0.000 0.466 100 Y N 1.376 121.628 120.300 -0.080 0.000 2.224 100 Y HA 0.214 4.766 4.550 0.002 0.000 0.289 100 Y C 1.859 177.747 175.900 -0.021 0.000 1.146 100 Y CA 0.853 58.908 58.100 -0.074 0.000 1.182 100 Y CB -0.475 37.898 38.460 -0.145 0.000 0.983 100 Y HN 0.427 nan 8.280 nan 0.000 0.524 101 G N -0.808 108.098 108.800 0.177 0.000 2.462 101 G HA2 0.142 4.103 3.960 0.002 0.000 0.685 101 G HA3 0.142 4.103 3.960 0.002 0.000 0.685 101 G C -0.917 174.054 174.900 0.119 0.000 1.295 101 G CA -0.620 44.549 45.100 0.115 0.000 0.941 101 G HN 0.512 nan 8.290 nan 0.000 0.554 102 S N -0.337 115.352 115.700 -0.018 0.000 2.600 102 S HA 0.870 5.341 4.470 0.002 0.000 0.300 102 S C -2.928 171.589 174.600 -0.139 0.000 1.087 102 S CA -1.373 56.703 58.200 -0.207 0.000 0.965 102 S CB 2.236 65.300 63.200 -0.227 0.000 1.089 102 S HN 0.646 nan 8.310 nan 0.000 0.496 103 P HA 0.286 nan 4.420 nan 0.000 0.264 103 P C -0.311 176.945 177.300 -0.075 0.000 1.193 103 P CA 0.063 63.104 63.100 -0.099 0.000 0.763 103 P CB 0.048 31.687 31.700 -0.101 0.000 0.810 104 A N 3.488 126.279 122.820 -0.049 0.000 2.406 104 A HA 0.518 4.839 4.320 0.002 0.000 0.243 104 A C 1.137 178.705 177.584 -0.027 0.000 1.082 104 A CA 0.410 52.426 52.037 -0.035 0.000 0.786 104 A CB -0.247 18.736 19.000 -0.028 0.000 1.029 104 A HN 0.594 nan 8.150 nan 0.000 0.495 105 G N 0.235 109.026 108.800 -0.016 0.000 2.666 105 G HA2 0.477 4.438 3.960 0.002 0.000 0.207 105 G HA3 0.477 4.438 3.960 0.002 0.000 0.207 105 G C 0.318 175.228 174.900 0.017 0.000 1.481 105 G CA -0.778 44.322 45.100 0.000 0.000 1.071 105 G HN 0.589 nan 8.290 nan 0.000 0.572 106 M N 1.673 121.300 119.600 0.045 0.000 2.241 106 M HA 0.251 4.732 4.480 0.002 0.000 0.335 106 M C -1.415 174.885 176.300 0.001 0.000 1.122 106 M CA -1.566 53.778 55.300 0.072 0.000 1.164 106 M CB 0.031 32.740 32.600 0.182 0.000 1.459 106 M HN 0.356 nan 8.290 nan 0.000 0.461 116 S N 0.860 116.555 115.700 -0.009 0.000 2.641 116 S HA 0.534 5.005 4.470 0.002 0.000 0.261 116 S C 1.226 175.820 174.600 -0.010 0.000 1.257 116 S CA 0.082 58.276 58.200 -0.010 0.000 0.983 116 S CB 1.516 64.712 63.200 -0.006 0.000 0.990 116 S HN 0.781 nan 8.310 nan 0.000 0.572 117 A N 0.208 123.023 122.820 -0.009 0.000 1.908 117 A HA -0.130 4.191 4.320 0.002 0.000 0.218 117 A C 2.172 179.765 177.584 0.014 0.000 1.181 117 A CA 1.857 53.892 52.037 -0.003 0.000 0.627 117 A CB -1.314 17.686 19.000 -0.001 0.000 0.818 117 A HN 1.001 nan 8.150 nan 0.000 0.445 118 E N -0.422 119.788 120.200 0.016 0.000 2.051 118 E HA -0.248 4.103 4.350 0.002 0.000 0.192 118 E C 2.195 178.811 176.600 0.027 0.000 0.991 118 E CA 1.392 57.808 56.400 0.026 0.000 0.799 118 E CB -0.171 29.540 29.700 0.019 0.000 0.748 118 E HN 0.763 nan 8.360 nan 0.000 0.449 119 Q N -0.127 119.680 119.800 0.012 0.000 2.124 119 Q HA -0.134 4.207 4.340 0.002 0.000 0.202 119 Q C 2.350 178.356 176.000 0.009 0.000 0.977 119 Q CA 1.476 57.281 55.803 0.004 0.000 0.850 119 Q CB 0.091 28.825 28.738 -0.006 0.000 0.901 119 Q HN 0.222 nan 8.270 nan 0.000 0.429 120 V N 1.633 121.551 119.914 0.006 0.000 2.332 120 V HA -0.265 3.856 4.120 0.002 0.000 0.248 120 V C 1.452 177.544 176.094 -0.004 0.000 1.055 120 V CA 2.069 64.365 62.300 -0.006 0.000 1.038 120 V CB -0.477 31.328 31.823 -0.030 0.000 0.651 120 V HN 0.322 nan 8.190 nan 0.000 0.450 121 D N -0.066 120.362 120.400 0.047 0.000 2.144 121 D HA -0.089 4.552 4.640 0.002 0.000 0.200 121 D C 2.144 178.549 176.300 0.175 0.000 0.978 121 D CA 0.985 55.074 54.000 0.148 0.000 0.833 121 D CB -0.268 40.676 40.800 0.239 0.000 0.961 121 D HN 0.330 nan 8.370 nan 0.000 0.470 122 L N 0.021 121.309 121.223 0.107 0.000 2.012 122 L HA -0.175 4.166 4.340 0.002 0.000 0.210 122 L C 2.363 179.293 176.870 0.100 0.000 1.073 122 L CA 0.810 55.707 54.840 0.096 0.000 0.748 122 L CB -0.383 41.696 42.059 0.033 0.000 0.891 122 L HN 0.072 nan 8.230 nan 0.000 0.431 123 M N -0.481 119.152 119.600 0.055 0.000 2.132 123 M HA -0.119 4.362 4.480 0.002 0.000 0.263 123 M C 2.577 178.945 176.300 0.113 0.000 1.065 123 M CA 1.866 57.207 55.300 0.067 0.000 1.122 123 M CB -1.461 31.167 32.600 0.047 0.000 1.365 123 M HN 0.276 nan 8.290 nan 0.000 0.411 124 A N 0.875 123.719 122.820 0.040 0.000 1.902 124 A HA -0.163 4.158 4.320 0.002 0.000 0.217 124 A C 2.094 179.771 177.584 0.154 0.000 1.181 124 A CA 1.692 53.709 52.037 -0.032 0.000 0.623 124 A CB -0.689 18.053 19.000 -0.431 0.000 0.818 124 A HN 0.474 nan 8.150 nan 0.000 0.443 125 N N -1.415 117.456 118.700 0.285 0.000 2.142 125 N HA -0.156 4.585 4.740 0.002 0.000 0.186 125 N C 1.612 177.257 175.510 0.224 0.000 1.023 125 N CA 1.632 54.864 53.050 0.302 0.000 0.852 125 N CB -0.633 38.023 38.487 0.282 0.000 0.998 125 N HN 0.668 nan 8.380 nan 0.000 0.424 126 Y N 1.917 122.257 120.300 0.067 0.000 2.165 126 Y HA -0.119 4.433 4.550 0.002 0.000 0.286 126 Y C 2.140 178.036 175.900 -0.007 0.000 1.155 126 Y CA 1.434 59.534 58.100 -0.000 0.000 1.164 126 Y CB -0.395 37.982 38.460 -0.139 0.000 0.978 126 Y HN -0.016 nan 8.280 nan 0.000 0.513 127 L N -0.201 121.084 121.223 0.103 0.000 2.265 127 L HA -0.199 4.142 4.340 0.002 0.000 0.215 127 L C 1.940 178.788 176.870 -0.038 0.000 1.117 127 L CA 0.840 55.673 54.840 -0.012 0.000 0.782 127 L CB -0.402 41.684 42.059 0.046 0.000 0.914 127 L HN 0.338 nan 8.230 nan 0.000 0.441 128 L N -0.758 120.476 121.223 0.018 0.000 2.558 128 L HA 0.087 4.428 4.340 0.002 0.000 0.225 128 L C 0.693 177.557 176.870 -0.010 0.000 1.128 128 L CA -0.005 54.852 54.840 0.027 0.000 0.868 128 L CB 0.062 42.177 42.059 0.093 0.000 1.006 128 L HN 0.160 nan 8.230 nan 0.000 0.454 129 L N -0.924 120.271 121.223 -0.046 0.000 2.387 129 L HA 0.274 4.615 4.340 0.002 0.000 0.266 129 L C -0.127 176.676 176.870 -0.112 0.000 1.059 129 L CA -0.727 54.078 54.840 -0.059 0.000 0.801 129 L CB 0.906 42.964 42.059 -0.001 0.000 1.223 129 L HN -0.061 nan 8.230 nan 0.000 0.456 130 D N 2.519 122.860 120.400 -0.098 0.000 2.325 130 D HA 0.211 4.852 4.640 0.002 0.000 0.251 130 D C -2.169 174.071 176.300 -0.099 0.000 1.196 130 D CA -0.857 53.088 54.000 -0.092 0.000 0.866 130 D CB 1.086 41.845 40.800 -0.068 0.000 1.101 130 D HN 0.235 nan 8.370 nan 0.000 0.476 131 P HA 0.240 nan 4.420 nan 0.000 0.279 131 P C -0.918 176.385 177.300 0.004 0.000 1.239 131 P CA -0.529 62.541 63.100 -0.049 0.000 0.789 131 P CB 1.157 32.807 31.700 -0.083 0.000 0.933 132 A N 2.299 125.147 122.820 0.047 0.000 2.279 132 A HA 0.654 4.975 4.320 0.002 0.000 0.303 132 A C 0.062 177.697 177.584 0.086 0.000 1.108 132 A CA -0.614 51.456 52.037 0.055 0.000 0.830 132 A CB 0.440 19.470 19.000 0.049 0.000 1.106 132 A HN 0.603 nan 8.150 nan 0.000 0.493 133 A N 2.467 125.346 122.820 0.098 0.000 2.328 133 A HA 0.641 4.962 4.320 0.002 0.000 0.284 133 A C -2.165 175.498 177.584 0.132 0.000 1.160 133 A CA -1.342 50.764 52.037 0.114 0.000 0.818 133 A CB -0.646 18.479 19.000 0.209 0.000 1.087 133 A HN 0.655 nan 8.150 nan 0.000 0.504 134 P HA 0.228 nan 4.420 nan 0.000 0.270 134 P C -2.501 175.001 177.300 0.336 0.000 1.221 134 P CA -0.701 62.451 63.100 0.086 0.000 0.788 134 P CB -0.511 31.023 31.700 -0.275 0.000 0.904 135 P HA 0.071 nan 4.420 nan 0.000 0.269 135 P C 0.017 177.616 177.300 0.499 0.000 1.215 135 P CA 0.275 63.588 63.100 0.355 0.000 0.780 135 P CB 0.376 32.246 31.700 0.285 0.000 0.898 136 E N 0.899 121.294 120.200 0.326 0.000 2.351 136 E HA 0.324 4.676 4.350 0.002 0.000 0.255 136 E C -0.831 175.924 176.600 0.259 0.000 1.188 136 E CA -0.073 56.465 56.400 0.230 0.000 0.940 136 E CB 0.418 30.188 29.700 0.116 0.000 1.094 136 E HN 0.343 nan 8.360 nan 0.000 0.474 137 F N 0.207 120.164 119.950 0.011 0.000 3.094 137 F HA 0.375 4.904 4.527 0.002 0.000 0.385 137 F C 0.131 175.916 175.800 -0.026 0.000 1.231 137 F CA -0.320 57.689 58.000 0.016 0.000 1.207 137 F CB 0.674 39.691 39.000 0.028 0.000 1.703 137 F HN 0.417 nan 8.300 nan 0.000 0.610 138 G N 2.427 111.169 108.800 -0.098 0.000 2.606 138 G HA2 0.268 4.230 3.960 0.002 0.000 0.262 138 G HA3 0.268 4.230 3.960 0.002 0.000 0.262 138 G C 0.712 175.545 174.900 -0.112 0.000 1.394 138 G CA -0.493 44.563 45.100 -0.073 0.000 1.044 138 G HN 0.546 nan 8.290 nan 0.000 0.553 139 M N -0.283 119.267 119.600 -0.083 0.000 2.108 139 M HA -0.003 4.479 4.480 0.002 0.000 0.261 139 M C 2.328 178.579 176.300 -0.083 0.000 1.066 139 M CA 1.932 57.187 55.300 -0.076 0.000 1.107 139 M CB -0.427 32.135 32.600 -0.065 0.000 1.356 139 M HN 0.599 nan 8.290 nan 0.000 0.406 140 K N -0.562 119.781 120.400 -0.095 0.000 2.057 140 K HA -0.221 4.100 4.320 0.002 0.000 0.207 140 K C 1.659 178.179 176.600 -0.134 0.000 1.049 140 K CA 1.991 58.228 56.287 -0.084 0.000 0.931 140 K CB -0.062 32.392 32.500 -0.076 0.000 0.714 140 K HN 0.324 nan 8.250 nan 0.000 0.440 141 E N 0.368 120.398 120.200 -0.284 0.000 2.072 141 E HA -0.129 4.223 4.350 0.002 0.000 0.191 141 E C 1.963 178.355 176.600 -0.347 0.000 0.985 141 E CA 1.500 57.593 56.400 -0.513 0.000 0.801 141 E CB -0.072 28.918 29.700 -1.182 0.000 0.750 141 E HN 0.345 nan 8.360 nan 0.000 0.452 142 M N -0.066 119.425 119.600 -0.181 0.000 2.132 142 M HA -0.096 4.385 4.480 0.002 0.000 0.263 142 M C 2.138 178.513 176.300 0.125 0.000 1.065 142 M CA 1.426 56.792 55.300 0.109 0.000 1.122 142 M CB -0.250 32.408 32.600 0.096 0.000 1.365 142 M HN -0.014 nan 8.290 nan 0.000 0.411 143 R N 0.279 120.828 120.500 0.081 0.000 2.148 143 R HA -0.109 4.232 4.340 0.002 0.000 0.227 143 R C 1.850 178.282 176.300 0.221 0.000 1.103 143 R CA 1.050 57.273 56.100 0.205 0.000 0.983 143 R CB -0.244 30.146 30.300 0.150 0.000 0.874 143 R HN 0.534 nan 8.270 nan 0.000 0.451 144 E N 0.124 120.391 120.200 0.111 0.000 2.152 144 E HA -0.101 4.250 4.350 0.002 0.000 0.192 144 E C 1.859 178.532 176.600 0.121 0.000 0.983 144 E CA 1.371 57.824 56.400 0.087 0.000 0.818 144 E CB 0.139 29.858 29.700 0.031 0.000 0.758 144 E HN 0.297 nan 8.360 nan 0.000 0.467 145 S N -0.008 115.795 115.700 0.171 0.000 2.527 145 S HA -0.083 4.388 4.470 0.002 0.000 0.222 145 S C 0.400 175.140 174.600 0.233 0.000 0.985 145 S CA -0.463 57.859 58.200 0.202 0.000 0.921 145 S CB -0.247 63.115 63.200 0.269 0.000 0.772 145 S HN 0.312 nan 8.310 nan 0.000 0.529 146 W N 3.850 125.169 121.300 0.031 0.000 2.485 146 W HA 0.476 5.137 4.660 0.002 0.000 0.315 146 W C -0.705 175.789 176.519 -0.041 0.000 1.304 146 W CA -1.206 56.137 57.345 -0.003 0.000 1.345 146 W CB -0.024 29.435 29.460 -0.001 0.000 1.368 146 W HN 0.015 nan 8.180 nan 0.000 0.497 147 K N 5.347 125.596 120.400 -0.252 0.000 2.463 147 K HA 0.431 4.753 4.320 0.002 0.000 0.255 147 K C -1.322 174.869 176.600 -0.682 0.000 0.942 147 K CA -1.033 54.962 56.287 -0.486 0.000 0.814 147 K CB 2.252 34.567 32.500 -0.309 0.000 1.122 147 K HN 0.071 nan 8.250 nan 0.000 0.425 148 V N 5.023 124.532 119.914 -0.675 0.000 2.304 148 V HA 0.075 4.196 4.120 0.002 0.000 0.269 148 V C 0.819 176.730 176.094 -0.305 0.000 1.036 148 V CA -0.525 61.498 62.300 -0.461 0.000 0.840 148 V CB 0.356 31.955 31.823 -0.373 0.000 1.036 148 V HN 0.808 nan 8.190 nan 0.000 0.466 149 H N 3.193 122.211 119.070 -0.085 0.000 2.363 149 H HA 0.101 4.658 4.556 0.002 0.000 0.301 149 H C 0.482 175.783 175.328 -0.045 0.000 1.074 149 H CA 1.085 57.099 56.048 -0.057 0.000 1.354 149 H CB 0.467 30.211 29.762 -0.030 0.000 1.397 149 H HN 0.404 nan 8.280 nan 0.000 0.516 150 V N 1.566 121.525 119.914 0.074 0.000 2.380 150 V HA 0.481 4.603 4.120 0.002 0.000 0.286 150 V C 0.286 176.385 176.094 0.008 0.000 1.015 150 V CA -0.989 61.335 62.300 0.039 0.000 0.834 150 V CB 1.036 32.889 31.823 0.052 0.000 1.009 150 V HN 0.373 nan 8.190 nan 0.000 0.428 151 A N 6.636 129.451 122.820 -0.008 0.000 2.507 151 A HA 0.433 4.754 4.320 0.002 0.000 0.235 151 A C -1.134 176.456 177.584 0.010 0.000 1.070 151 A CA -0.618 51.411 52.037 -0.012 0.000 0.768 151 A CB -0.050 18.939 19.000 -0.018 0.000 1.011 151 A HN 0.657 nan 8.150 nan 0.000 0.502 152 P HA -0.228 nan 4.420 nan 0.000 0.216 152 P C 1.191 178.513 177.300 0.036 0.000 1.150 152 P CA 1.933 65.051 63.100 0.029 0.000 0.843 152 P CB 0.025 31.736 31.700 0.019 0.000 0.787 153 E N -0.832 119.382 120.200 0.024 0.000 2.338 153 E HA -0.154 4.198 4.350 0.002 0.000 0.197 153 E C 0.656 177.272 176.600 0.026 0.000 1.007 153 E CA 0.973 57.388 56.400 0.024 0.000 0.849 153 E CB -0.686 29.023 29.700 0.015 0.000 0.774 153 E HN 0.234 nan 8.360 nan 0.000 0.506 154 D N 0.690 121.105 120.400 0.025 0.000 2.349 154 D HA 0.108 4.749 4.640 0.002 0.000 0.214 154 D C 0.210 176.532 176.300 0.036 0.000 1.063 154 D CA 0.084 54.099 54.000 0.025 0.000 0.847 154 D CB 0.268 41.078 40.800 0.017 0.000 0.933 154 D HN 0.136 nan 8.370 nan 0.000 0.513 155 R N 1.138 121.668 120.500 0.050 0.000 2.549 155 R HA 0.401 4.742 4.340 0.002 0.000 0.267 155 R C -2.218 174.130 176.300 0.081 0.000 1.045 155 R CA -1.475 54.666 56.100 0.069 0.000 1.115 155 R CB 0.135 30.491 30.300 0.093 0.000 1.121 155 R HN -0.112 nan 8.270 nan 0.000 0.543 156 P HA -0.008 nan 4.420 nan 0.000 0.270 156 P C 0.252 177.671 177.300 0.198 0.000 1.223 156 P CA 0.067 63.241 63.100 0.123 0.000 0.785 156 P CB 0.519 32.298 31.700 0.132 0.000 0.923 157 T N -3.052 111.596 114.554 0.156 0.000 3.054 157 T HA 0.173 4.524 4.350 0.002 0.000 0.255 157 T C 0.383 175.193 174.700 0.184 0.000 1.035 157 T CA -0.143 62.073 62.100 0.193 0.000 0.941 157 T CB -0.205 68.721 68.868 0.096 0.000 1.026 157 T HN 0.652 nan 8.240 nan 0.000 0.533 158 Q N -0.178 119.620 119.800 -0.003 0.000 2.575 158 Q HA 0.345 4.686 4.340 0.002 0.000 0.290 158 Q C -1.405 174.169 176.000 -0.710 0.000 0.963 158 Q CA -1.167 54.309 55.803 -0.544 0.000 0.783 158 Q CB 1.032 29.549 28.738 -0.367 0.000 1.467 158 Q HN 0.156 nan 8.270 nan 0.000 0.402 159 Q N 0.505 119.552 119.800 -1.255 0.000 2.274 159 Q HA -0.016 4.326 4.340 0.002 0.000 0.280 159 Q C -0.253 175.501 176.000 -0.411 0.000 1.047 159 Q CA 0.672 55.931 55.803 -0.908 0.000 0.907 159 Q CB 0.565 28.761 28.738 -0.902 0.000 1.171 159 Q HN 0.715 nan 8.270 nan 0.000 0.381 160 E N 2.621 122.667 120.200 -0.256 0.000 2.498 160 E HA 0.025 4.376 4.350 0.002 0.000 0.203 160 E C -0.527 175.964 176.600 -0.183 0.000 1.013 160 E CA -0.058 56.236 56.400 -0.177 0.000 0.927 160 E CB 0.409 30.043 29.700 -0.110 0.000 1.012 160 E HN 0.655 nan 8.360 nan 0.000 0.482 161 N N 0.131 118.677 118.700 -0.257 0.000 2.525 161 N HA 0.068 4.810 4.740 0.002 0.000 0.288 161 N C -0.152 175.269 175.510 -0.147 0.000 1.242 161 N CA -0.675 52.204 53.050 -0.285 0.000 0.905 161 N CB 0.676 38.731 38.487 -0.721 0.000 1.258 161 N HN -0.234 nan 8.380 nan 0.000 0.551 162 D N -2.253 118.166 120.400 0.031 0.000 2.427 162 D HA 0.103 4.745 4.640 0.002 0.000 0.224 162 D C -0.806 175.650 176.300 0.260 0.000 1.157 162 D CA -0.566 53.500 54.000 0.109 0.000 0.828 162 D CB -0.346 40.516 40.800 0.104 0.000 0.974 162 D HN 0.357 nan 8.370 nan 0.000 0.498 163 W N 1.075 122.369 121.300 -0.009 0.000 2.126 163 W HA 0.300 4.963 4.660 0.004 0.000 0.346 163 W C 0.801 177.324 176.519 0.005 0.000 1.279 163 W CA -0.907 56.443 57.345 0.007 0.000 1.259 163 W CB 0.094 29.570 29.460 0.028 0.000 1.133 163 W HN -0.103 nan 8.180 nan 0.000 0.592 164 D N 2.216 122.761 120.400 0.242 0.000 2.522 164 D HA 0.120 4.761 4.640 0.002 0.000 0.218 164 D C 1.206 177.609 176.300 0.173 0.000 1.149 164 D CA 0.055 54.141 54.000 0.145 0.000 0.981 164 D CB 0.064 40.911 40.800 0.079 0.000 1.041 164 D HN 0.292 nan 8.370 nan 0.000 0.518 165 L N 1.736 123.078 121.223 0.197 0.000 2.042 165 L HA -0.160 4.182 4.340 0.002 0.000 0.210 165 L C 2.032 178.998 176.870 0.160 0.000 1.076 165 L CA 1.114 56.081 54.840 0.212 0.000 0.749 165 L CB -0.192 41.993 42.059 0.210 0.000 0.893 165 L HN 0.360 nan 8.230 nan 0.000 0.432 166 E N -0.289 119.997 120.200 0.142 0.000 2.268 166 E HA -0.189 4.162 4.350 0.002 0.000 0.195 166 E C 1.104 177.760 176.600 0.092 0.000 0.995 166 E CA 0.692 57.184 56.400 0.153 0.000 0.836 166 E CB -0.067 29.747 29.700 0.191 0.000 0.763 166 E HN 0.330 nan 8.360 nan 0.000 0.491 167 N N 0.279 119.018 118.700 0.065 0.000 2.235 167 N HA 0.038 4.779 4.740 0.002 0.000 0.209 167 N C -0.600 174.945 175.510 0.059 0.000 1.122 167 N CA -0.140 52.933 53.050 0.038 0.000 0.845 167 N CB 0.307 38.830 38.487 0.060 0.000 1.004 167 N HN -0.031 nan 8.380 nan 0.000 0.499 168 L N 0.747 122.004 121.223 0.057 0.000 2.397 168 L HA 0.357 4.699 4.340 0.002 0.000 0.271 168 L C -0.812 176.037 176.870 -0.036 0.000 1.148 168 L CA 0.201 55.099 54.840 0.097 0.000 0.825 168 L CB 0.155 42.305 42.059 0.151 0.000 1.117 168 L HN -0.039 nan 8.230 nan 0.000 0.456 169 F N 2.445 122.313 119.950 -0.136 0.000 2.444 169 F HA 0.360 4.887 4.527 0.000 0.000 0.342 169 F C 0.432 176.200 175.800 -0.054 0.000 1.121 169 F CA -0.393 57.477 58.000 -0.217 0.000 0.997 169 F CB 1.751 40.409 39.000 -0.569 0.000 1.130 169 F HN 0.379 nan 8.300 nan 0.000 0.454 170 S N 3.640 119.420 115.700 0.135 0.000 2.410 170 S HA 0.639 5.110 4.470 0.002 0.000 0.304 170 S C -0.924 173.777 174.600 0.169 0.000 1.095 170 S CA -0.479 57.820 58.200 0.164 0.000 1.089 170 S CB 0.114 63.417 63.200 0.173 0.000 0.968 170 S HN 0.361 nan 8.310 nan 0.000 0.480 171 V N 5.633 125.628 119.914 0.135 0.000 2.384 171 V HA 0.363 4.484 4.120 0.002 0.000 0.287 171 V C 0.470 176.600 176.094 0.060 0.000 1.020 171 V CA -0.783 61.569 62.300 0.088 0.000 0.850 171 V CB 1.654 33.541 31.823 0.107 0.000 0.987 171 V HN 0.859 nan 8.190 nan 0.000 0.436 172 T N 6.852 121.419 114.554 0.021 0.000 2.834 172 T HA 0.353 4.704 4.350 0.002 0.000 0.298 172 T C 0.150 174.820 174.700 -0.050 0.000 0.966 172 T CA 0.140 62.230 62.100 -0.016 0.000 1.141 172 T CB 0.066 68.893 68.868 -0.069 0.000 0.905 172 T HN 0.408 nan 8.240 nan 0.000 0.535 173 L N 4.518 125.722 121.223 -0.031 0.000 2.417 173 L HA 0.388 4.729 4.340 0.002 0.000 0.258 173 L C 1.846 178.679 176.870 -0.061 0.000 1.088 173 L CA -0.636 54.189 54.840 -0.025 0.000 0.975 173 L CB 0.249 42.317 42.059 0.015 0.000 1.341 173 L HN 0.664 nan 8.230 nan 0.000 0.431 174 R N 1.214 121.648 120.500 -0.111 0.000 2.132 174 R HA -0.207 4.135 4.340 0.002 0.000 0.233 174 R C 0.862 177.007 176.300 -0.259 0.000 1.125 174 R CA 2.507 58.495 56.100 -0.188 0.000 0.914 174 R CB 0.184 30.375 30.300 -0.181 0.000 0.845 174 R HN 0.564 nan 8.270 nan 0.000 0.431 175 D N -0.576 119.771 120.400 -0.088 0.000 2.363 175 D HA 0.001 4.642 4.640 0.002 0.000 0.220 175 D C 1.071 177.451 176.300 0.133 0.000 0.994 175 D CA 0.943 54.958 54.000 0.025 0.000 0.890 175 D CB 0.226 41.135 40.800 0.182 0.000 0.906 175 D HN 0.417 nan 8.370 nan 0.000 0.530 176 A N -0.041 122.816 122.820 0.061 0.000 2.178 176 A HA 0.426 4.748 4.320 0.002 0.000 0.211 176 A C 1.788 179.434 177.584 0.104 0.000 1.157 176 A CA 0.656 52.752 52.037 0.098 0.000 0.780 176 A CB -0.329 18.712 19.000 0.068 0.000 0.828 176 A HN 0.189 nan 8.150 nan 0.000 0.476 177 G N -0.616 108.209 108.800 0.041 0.000 2.273 177 G HA2 -0.239 3.723 3.960 0.002 0.000 0.280 177 G HA3 -0.239 3.723 3.960 0.002 0.000 0.280 177 G C -0.101 174.834 174.900 0.059 0.000 1.047 177 G CA 0.717 45.858 45.100 0.068 0.000 0.869 177 G HN 0.675 nan 8.290 nan 0.000 0.502 178 Q N -1.483 118.337 119.800 0.033 0.000 2.544 178 Q HA 0.764 5.106 4.340 0.002 0.000 0.291 178 Q C -0.220 175.803 176.000 0.037 0.000 1.068 178 Q CA -1.045 54.785 55.803 0.046 0.000 0.785 178 Q CB 2.034 30.804 28.738 0.054 0.000 1.481 178 Q HN 0.733 nan 8.270 nan 0.000 0.430 179 I N -2.208 118.395 120.570 0.056 0.000 2.785 179 I HA 0.891 5.063 4.170 0.002 0.000 0.302 179 I C -1.181 174.984 176.117 0.079 0.000 1.069 179 I CA -0.872 60.468 61.300 0.066 0.000 1.045 179 I CB 2.051 40.099 38.000 0.081 0.000 1.236 179 I HN 0.538 nan 8.210 nan 0.000 0.429 180 A N 5.938 128.809 122.820 0.085 0.000 2.317 180 A HA 0.842 5.164 4.320 0.002 0.000 0.327 180 A C -0.704 176.947 177.584 0.113 0.000 1.178 180 A CA -0.657 51.435 52.037 0.092 0.000 0.817 180 A CB 0.715 19.766 19.000 0.085 0.000 1.189 180 A HN 0.790 nan 8.150 nan 0.000 0.489 181 L N 3.725 125.012 121.223 0.106 0.000 2.262 181 L HA 0.470 4.812 4.340 0.002 0.000 0.288 181 L C -0.775 176.116 176.870 0.035 0.000 1.035 181 L CA 0.016 54.922 54.840 0.111 0.000 0.820 181 L CB 0.557 42.723 42.059 0.178 0.000 1.204 181 L HN 0.554 nan 8.230 nan 0.000 0.424 182 I N 2.183 122.816 120.570 0.104 0.000 2.433 182 I HA 0.216 4.387 4.170 0.002 0.000 0.292 182 I C 0.022 176.224 176.117 0.142 0.000 1.001 182 I CA -0.688 60.686 61.300 0.124 0.000 1.119 182 I CB 2.206 40.373 38.000 0.280 0.000 1.289 182 I HN 0.517 nan 8.210 nan 0.000 0.438 183 D N 4.834 125.252 120.400 0.031 0.000 2.434 183 D HA -0.005 4.637 4.640 0.002 0.000 0.252 183 D C 1.207 177.588 176.300 0.136 0.000 1.185 183 D CA 0.373 54.380 54.000 0.013 0.000 0.886 183 D CB 1.728 42.455 40.800 -0.121 0.000 1.148 183 D HN 0.819 nan 8.370 nan 0.000 0.483 184 G N 3.060 111.989 108.800 0.215 0.000 2.471 184 G HA2 -0.116 3.845 3.960 0.002 0.000 0.219 184 G HA3 -0.116 3.845 3.960 0.002 0.000 0.219 184 G C 1.159 176.138 174.900 0.131 0.000 1.125 184 G CA 0.913 46.227 45.100 0.357 0.000 0.775 184 G HN 0.582 nan 8.290 nan 0.000 0.548 185 A N 0.132 122.874 122.820 -0.130 0.000 1.963 185 A HA 0.217 4.538 4.320 0.002 0.000 0.207 185 A C 2.445 179.565 177.584 -0.772 0.000 1.243 185 A CA 1.840 53.679 52.037 -0.330 0.000 0.728 185 A CB -0.318 18.588 19.000 -0.158 0.000 0.895 185 A HN 0.403 nan 8.150 nan 0.000 0.467 186 T N -5.679 108.512 114.554 -0.605 0.000 3.037 186 T HA 0.113 4.464 4.350 0.002 0.000 0.251 186 T C 0.587 174.918 174.700 -0.615 0.000 1.079 186 T CA 0.939 62.699 62.100 -0.568 0.000 1.067 186 T CB -0.478 68.231 68.868 -0.265 0.000 0.948 186 T HN 0.733 nan 8.240 nan 0.000 0.496 187 Y N 1.521 121.752 120.300 -0.115 0.000 4.668 187 Y HA -0.221 4.328 4.550 -0.002 0.000 0.234 187 Y C 0.271 176.120 175.900 -0.084 0.000 1.056 187 Y CA -0.077 57.939 58.100 -0.140 0.000 2.025 187 Y CB -2.992 35.227 38.460 -0.401 0.000 1.613 187 Y HN 0.686 nan 8.280 nan 0.000 0.653 188 E N 1.537 121.718 120.200 -0.031 0.000 2.313 188 E HA 0.444 4.795 4.350 0.002 0.000 0.276 188 E C -0.025 176.546 176.600 -0.048 0.000 1.031 188 E CA -0.672 55.704 56.400 -0.041 0.000 0.857 188 E CB 1.429 31.077 29.700 -0.088 0.000 1.040 188 E HN 0.458 nan 8.360 nan 0.000 0.408 189 I N 4.029 124.584 120.570 -0.026 0.000 2.421 189 I HA -0.046 4.125 4.170 0.002 0.000 0.291 189 I C 1.256 177.304 176.117 -0.116 0.000 1.089 189 I CA -0.312 60.968 61.300 -0.034 0.000 1.354 189 I CB 0.474 38.480 38.000 0.010 0.000 1.413 189 I HN 0.414 nan 8.210 nan 0.000 0.513 190 K N 3.187 123.438 120.400 -0.249 0.000 2.167 190 K HA 0.100 4.421 4.320 0.002 0.000 0.203 190 K C 0.608 177.097 176.600 -0.185 0.000 1.052 190 K CA 0.523 56.523 56.287 -0.479 0.000 0.956 190 K CB 0.097 31.813 32.500 -1.306 0.000 0.735 190 K HN 0.587 nan 8.250 nan 0.000 0.451 191 S N -0.657 115.019 115.700 -0.040 0.000 2.586 191 S HA 0.350 4.821 4.470 0.002 0.000 0.277 191 S C -1.865 172.793 174.600 0.096 0.000 1.131 191 S CA -0.795 57.469 58.200 0.108 0.000 0.848 191 S CB 1.395 64.768 63.200 0.288 0.000 1.091 191 S HN -0.181 nan 8.310 nan 0.000 0.453 192 V N 4.464 124.434 119.914 0.093 0.000 2.407 192 V HA 0.562 4.684 4.120 0.002 0.000 0.291 192 V C -0.606 175.539 176.094 0.086 0.000 1.018 192 V CA -0.481 61.868 62.300 0.082 0.000 0.842 192 V CB 1.182 33.044 31.823 0.065 0.000 0.996 192 V HN 0.776 nan 8.190 nan 0.000 0.426 193 L N 3.600 124.876 121.223 0.087 0.000 2.334 193 L HA 0.603 4.945 4.340 0.002 0.000 0.276 193 L C -0.412 176.499 176.870 0.070 0.000 1.014 193 L CA -0.847 54.042 54.840 0.081 0.000 0.815 193 L CB 2.036 44.149 42.059 0.090 0.000 1.268 193 L HN 0.490 nan 8.230 nan 0.000 0.428 194 D N 1.634 122.072 120.400 0.063 0.000 2.390 194 D HA 0.347 4.989 4.640 0.002 0.000 0.249 194 D C 0.284 176.626 176.300 0.070 0.000 1.144 194 D CA 0.307 54.346 54.000 0.065 0.000 0.880 194 D CB 1.602 42.436 40.800 0.058 0.000 1.182 194 D HN 0.664 nan 8.370 nan 0.000 0.451 195 T N -1.767 112.832 114.554 0.075 0.000 2.626 195 T HA 0.653 5.004 4.350 0.002 0.000 0.279 195 T C 0.537 175.293 174.700 0.093 0.000 0.983 195 T CA -0.988 61.159 62.100 0.078 0.000 1.059 195 T CB 0.833 69.740 68.868 0.065 0.000 1.396 195 T HN 0.216 nan 8.240 nan 0.000 0.519 196 G N -0.669 108.186 108.800 0.091 0.000 2.606 196 G HA2 0.406 4.367 3.960 0.002 0.000 0.252 196 G HA3 0.406 4.367 3.960 0.002 0.000 0.252 196 G C -0.918 174.062 174.900 0.133 0.000 1.206 196 G CA -0.535 44.634 45.100 0.115 0.000 0.861 196 G HN 0.717 nan 8.290 nan 0.000 0.561 197 Y N 1.082 121.415 120.300 0.055 0.000 2.511 197 Y HA 0.292 4.844 4.550 0.003 0.000 0.332 197 Y C 0.973 176.911 175.900 0.063 0.000 1.177 197 Y CA 0.429 58.564 58.100 0.059 0.000 1.422 197 Y CB 0.478 38.973 38.460 0.059 0.000 1.271 197 Y HN 1.286 nan 8.280 nan 0.000 0.550 198 A N 3.909 126.302 122.820 -0.710 0.000 2.415 198 A HA -0.183 4.138 4.320 0.002 0.000 0.292 198 A C 0.150 177.649 177.584 -0.141 0.000 1.452 198 A CA 0.584 52.327 52.037 -0.489 0.000 0.750 198 A CB -2.578 16.119 19.000 -0.506 0.000 1.099 198 A HN 0.719 nan 8.150 nan 0.000 0.391 199 V N 1.133 120.994 119.914 -0.088 0.000 2.780 199 V HA -0.144 3.978 4.120 0.002 0.000 0.301 199 V C 1.771 177.864 176.094 -0.001 0.000 1.168 199 V CA 1.736 64.031 62.300 -0.008 0.000 1.305 199 V CB 0.242 32.067 31.823 0.003 0.000 0.858 199 V HN 0.839 nan 8.190 nan 0.000 0.502 200 H N 4.576 123.632 119.070 -0.023 0.000 2.399 200 H HA 0.342 4.900 4.556 0.003 0.000 0.300 200 H C 0.524 175.884 175.328 0.054 0.000 1.048 200 H CA 1.439 57.490 56.048 0.005 0.000 1.370 200 H CB 0.412 30.166 29.762 -0.013 0.000 1.428 200 H HN 0.696 nan 8.280 nan 0.000 0.534 201 I N -3.121 117.480 120.570 0.051 0.000 3.004 201 I HA 0.486 4.657 4.170 0.002 0.000 0.305 201 I C -1.094 174.902 176.117 -0.202 0.000 1.312 201 I CA -1.018 60.212 61.300 -0.118 0.000 0.992 201 I CB 2.658 40.492 38.000 -0.278 0.000 1.282 201 I HN -0.258 nan 8.210 nan 0.000 0.449 202 S N 2.982 118.401 115.700 -0.468 0.000 2.475 202 S HA 0.703 5.174 4.470 0.002 0.000 0.298 202 S C -0.558 173.774 174.600 -0.447 0.000 1.119 202 S CA -0.816 57.218 58.200 -0.277 0.000 1.085 202 S CB 1.139 64.348 63.200 0.015 0.000 1.028 202 S HN 0.452 nan 8.310 nan 0.000 0.489 203 R N 1.738 122.151 120.500 -0.145 0.000 2.744 203 R HA 0.525 4.866 4.340 0.002 0.000 0.279 203 R C -1.446 174.915 176.300 0.102 0.000 0.977 203 R CA -0.785 55.266 56.100 -0.081 0.000 0.906 203 R CB 1.283 31.523 30.300 -0.101 0.000 1.197 203 R HN 0.424 nan 8.270 nan 0.000 0.463 204 L N 1.511 122.789 121.223 0.092 0.000 2.334 204 L HA 0.381 4.722 4.340 0.002 0.000 0.276 204 L C 0.947 177.915 176.870 0.163 0.000 1.014 204 L CA -0.402 54.527 54.840 0.147 0.000 0.815 204 L CB 1.814 43.917 42.059 0.073 0.000 1.268 204 L HN 0.798 nan 8.230 nan 0.000 0.428 205 S N 1.327 117.180 115.700 0.255 0.000 2.580 205 S HA 0.204 4.675 4.470 0.002 0.000 0.266 205 S C 1.281 175.920 174.600 0.065 0.000 1.354 205 S CA 0.137 58.456 58.200 0.199 0.000 1.008 205 S CB 0.994 64.380 63.200 0.312 0.000 0.898 205 S HN 0.715 nan 8.310 nan 0.000 0.555 206 A N 1.607 124.439 122.820 0.019 0.000 2.019 206 A HA -0.038 4.283 4.320 0.002 0.000 0.219 206 A C 2.397 179.961 177.584 -0.033 0.000 1.164 206 A CA 1.762 53.778 52.037 -0.034 0.000 0.644 206 A CB -1.422 17.546 19.000 -0.055 0.000 0.805 206 A HN 1.354 nan 8.150 nan 0.000 0.449 207 S N -2.214 113.475 115.700 -0.018 0.000 2.496 207 S HA 0.344 4.816 4.470 0.002 0.000 0.224 207 S C 1.534 176.129 174.600 -0.008 0.000 0.996 207 S CA 1.141 59.328 58.200 -0.022 0.000 0.927 207 S CB -0.275 62.885 63.200 -0.065 0.000 0.774 207 S HN 1.902 nan 8.310 nan 0.000 0.524 208 G N 1.768 110.558 108.800 -0.016 0.000 2.176 208 G HA2 -0.344 3.618 3.960 0.002 0.000 0.253 208 G HA3 -0.344 3.618 3.960 0.002 0.000 0.253 208 G C 0.810 175.675 174.900 -0.059 0.000 0.979 208 G CA 0.455 45.560 45.100 0.008 0.000 0.641 208 G HN 0.605 nan 8.290 nan 0.000 0.530 209 R N -0.917 119.424 120.500 -0.266 0.000 2.075 209 R HA 0.180 4.521 4.340 0.002 0.000 0.226 209 R C 0.270 176.198 176.300 -0.620 0.000 1.114 209 R CA 0.786 56.479 56.100 -0.679 0.000 0.972 209 R CB -0.007 29.436 30.300 -1.429 0.000 0.869 209 R HN 0.348 nan 8.270 nan 0.000 0.437 210 Y N 0.705 120.880 120.300 -0.207 0.000 2.331 210 Y HA 0.319 4.871 4.550 0.003 0.000 0.338 210 Y C -0.518 175.264 175.900 -0.196 0.000 0.992 210 Y CA -1.255 56.694 58.100 -0.252 0.000 1.121 210 Y CB 1.611 39.901 38.460 -0.283 0.000 1.184 210 Y HN 0.004 nan 8.280 nan 0.000 0.469 211 L N 4.996 126.154 121.223 -0.109 0.000 2.272 211 L HA 0.617 4.958 4.340 0.002 0.000 0.289 211 L C -1.744 174.981 176.870 -0.241 0.000 1.032 211 L CA -0.575 54.227 54.840 -0.062 0.000 0.810 211 L CB -0.034 42.026 42.059 0.001 0.000 1.205 211 L HN 0.360 nan 8.230 nan 0.000 0.422 212 F N 5.084 125.044 119.950 0.017 0.000 2.458 212 F HA 0.687 5.215 4.527 0.002 0.000 0.336 212 F C 0.049 175.832 175.800 -0.029 0.000 1.114 212 F CA -0.667 57.328 58.000 -0.009 0.000 0.987 212 F CB 2.032 41.009 39.000 -0.038 0.000 1.130 212 F HN 0.403 nan 8.300 nan 0.000 0.458 213 V N 2.187 122.182 119.914 0.135 0.000 2.823 213 V HA 0.703 4.824 4.120 0.002 0.000 0.312 213 V C -1.100 175.035 176.094 0.069 0.000 1.072 213 V CA -0.927 61.418 62.300 0.075 0.000 0.937 213 V CB 2.048 33.906 31.823 0.058 0.000 1.013 213 V HN 0.772 nan 8.190 nan 0.000 0.430 214 I N 2.689 123.282 120.570 0.038 0.000 2.466 214 I HA 0.835 5.006 4.170 0.002 0.000 0.289 214 I C 0.592 176.728 176.117 0.032 0.000 1.026 214 I CA -0.259 61.056 61.300 0.025 0.000 1.078 214 I CB 1.529 39.522 38.000 -0.012 0.000 1.249 214 I HN 1.023 nan 8.210 nan 0.000 0.429 215 G N 5.496 114.317 108.800 0.036 0.000 2.504 215 G HA2 0.256 4.218 3.960 0.002 0.000 0.288 215 G HA3 0.256 4.218 3.960 0.002 0.000 0.288 215 G C 0.712 175.633 174.900 0.035 0.000 1.182 215 G CA -0.704 44.426 45.100 0.050 0.000 0.894 215 G HN 0.849 nan 8.290 nan 0.000 0.521 216 R N -0.333 120.204 120.500 0.062 0.000 2.193 216 R HA -0.084 4.257 4.340 0.002 0.000 0.229 216 R C 0.898 177.213 176.300 0.026 0.000 1.110 216 R CA 1.657 57.774 56.100 0.028 0.000 0.988 216 R CB -0.151 30.201 30.300 0.086 0.000 0.871 216 R HN 0.525 nan 8.270 nan 0.000 0.458 217 D N -0.131 120.307 120.400 0.064 0.000 2.340 217 D HA 0.045 4.687 4.640 0.002 0.000 0.220 217 D C 1.076 177.361 176.300 -0.025 0.000 1.039 217 D CA 0.688 54.714 54.000 0.044 0.000 0.866 217 D CB 0.245 41.094 40.800 0.083 0.000 0.913 217 D HN 0.443 nan 8.370 nan 0.000 0.523 218 G N 0.362 109.134 108.800 -0.047 0.000 2.157 218 G HA2 -0.260 3.702 3.960 0.002 0.000 0.248 218 G HA3 -0.260 3.702 3.960 0.002 0.000 0.248 218 G C 0.183 175.047 174.900 -0.059 0.000 0.979 218 G CA -0.084 44.959 45.100 -0.096 0.000 0.650 218 G HN 0.376 nan 8.290 nan 0.000 0.529 219 K N 1.071 121.471 120.400 -0.001 0.000 2.312 219 K HA 0.575 4.896 4.320 0.002 0.000 0.287 219 K C 0.128 176.758 176.600 0.050 0.000 1.062 219 K CA -0.315 55.996 56.287 0.040 0.000 0.934 219 K CB 1.074 33.617 32.500 0.072 0.000 1.027 219 K HN 0.163 nan 8.250 nan 0.000 0.478 220 V N 5.428 125.381 119.914 0.065 0.000 2.435 220 V HA 0.358 4.480 4.120 0.002 0.000 0.290 220 V C 0.191 176.347 176.094 0.103 0.000 1.030 220 V CA -0.860 61.490 62.300 0.084 0.000 0.881 220 V CB 1.440 33.316 31.823 0.089 0.000 0.983 220 V HN 0.689 nan 8.190 nan 0.000 0.445 221 N N 4.543 123.300 118.700 0.095 0.000 2.321 221 N HA 0.563 5.305 4.740 0.002 0.000 0.299 221 N C -0.974 174.540 175.510 0.007 0.000 1.048 221 N CA -0.607 52.486 53.050 0.071 0.000 0.836 221 N CB 2.534 41.063 38.487 0.069 0.000 1.269 221 N HN 0.586 nan 8.380 nan 0.000 0.486 222 M N 3.624 123.181 119.600 -0.072 0.000 2.181 222 M HA 0.480 4.961 4.480 0.002 0.000 0.323 222 M C -1.695 174.489 176.300 -0.193 0.000 1.004 222 M CA -0.522 54.580 55.300 -0.331 0.000 0.941 222 M CB 0.848 33.218 32.600 -0.383 0.000 1.579 222 M HN 0.469 nan 8.290 nan 0.000 0.427 223 I N 3.761 124.215 120.570 -0.195 0.000 2.433 223 I HA 0.273 4.445 4.170 0.002 0.000 0.292 223 I C -0.709 175.415 176.117 0.011 0.000 1.001 223 I CA -0.646 60.625 61.300 -0.048 0.000 1.119 223 I CB 1.853 39.845 38.000 -0.014 0.000 1.289 223 I HN 0.572 nan 8.210 nan 0.000 0.438 224 D N 6.623 127.053 120.400 0.051 0.000 2.380 224 D HA 0.231 4.872 4.640 0.002 0.000 0.230 224 D C 0.738 176.990 176.300 -0.079 0.000 1.154 224 D CA -0.066 53.937 54.000 0.004 0.000 0.859 224 D CB 1.055 41.901 40.800 0.076 0.000 1.045 224 D HN 0.437 nan 8.370 nan 0.000 0.495 225 L N 2.741 123.886 121.223 -0.131 0.000 2.551 225 L HA -0.002 4.339 4.340 0.002 0.000 0.228 225 L C 1.192 178.092 176.870 0.049 0.000 1.153 225 L CA 0.135 54.946 54.840 -0.048 0.000 0.851 225 L CB -0.033 42.041 42.059 0.024 0.000 0.959 225 L HN 0.482 nan 8.230 nan 0.000 0.451 226 W N -0.304 120.847 121.300 -0.247 0.000 3.003 226 W HA 0.138 4.799 4.660 0.002 0.000 0.257 226 W C 1.106 177.489 176.519 -0.226 0.000 1.308 226 W CA -0.749 56.458 57.345 -0.230 0.000 1.529 226 W CB -0.394 28.944 29.460 -0.204 0.000 1.115 226 W HN 0.015 nan 8.180 nan 0.000 0.659 227 M N 0.811 120.406 119.600 -0.008 0.000 2.245 227 M HA -0.020 4.461 4.480 0.002 0.000 0.330 227 M C 1.941 178.135 176.300 -0.177 0.000 1.098 227 M CA 0.366 55.628 55.300 -0.064 0.000 1.172 227 M CB 0.757 33.332 32.600 -0.042 0.000 1.467 227 M HN -0.175 nan 8.290 nan 0.000 0.454 228 K N 1.738 122.060 120.400 -0.131 0.000 2.103 228 K HA -0.130 4.192 4.320 0.002 0.000 0.207 228 K C -0.197 176.298 176.600 -0.176 0.000 1.048 228 K CA 1.489 57.683 56.287 -0.156 0.000 0.930 228 K CB 0.287 32.740 32.500 -0.077 0.000 0.716 228 K HN 0.634 nan 8.250 nan 0.000 0.444 229 E N 1.542 121.675 120.200 -0.112 0.000 2.346 229 E HA 0.227 4.579 4.350 0.002 0.000 0.239 229 E C -2.538 174.022 176.600 -0.068 0.000 0.943 229 E CA -2.342 54.022 56.400 -0.060 0.000 0.751 229 E CB 1.662 31.371 29.700 0.015 0.000 1.241 229 E HN 0.139 nan 8.360 nan 0.000 0.423 230 P HA -0.077 nan 4.420 nan 0.000 0.263 230 P C -0.296 177.016 177.300 0.020 0.000 1.175 230 P CA 0.470 63.524 63.100 -0.078 0.000 0.761 230 P CB 0.856 32.483 31.700 -0.121 0.000 0.794 231 T N 1.041 115.610 114.554 0.023 0.000 2.711 231 T HA 0.323 4.674 4.350 0.002 0.000 0.302 231 T C -0.965 173.762 174.700 0.046 0.000 1.373 231 T CA -0.493 61.632 62.100 0.040 0.000 1.000 231 T CB 0.570 69.454 68.868 0.027 0.000 1.483 231 T HN 0.122 nan 8.240 nan 0.000 0.499 232 T N 2.189 116.779 114.554 0.060 0.000 2.799 232 T HA 0.286 4.638 4.350 0.002 0.000 0.296 232 T C 1.618 176.411 174.700 0.155 0.000 0.947 232 T CA 0.237 62.397 62.100 0.099 0.000 1.141 232 T CB 0.548 69.500 68.868 0.140 0.000 0.891 232 T HN 0.617 nan 8.240 nan 0.000 0.533 233 V N 0.939 120.910 119.914 0.095 0.000 3.471 233 V HA 0.705 4.827 4.120 0.002 0.000 0.258 233 V C 0.627 176.730 176.094 0.014 0.000 1.192 233 V CA 0.371 62.721 62.300 0.083 0.000 1.116 233 V CB -0.616 31.231 31.823 0.041 0.000 0.792 233 V HN 0.912 nan 8.190 nan 0.000 0.459 234 A N 0.757 123.569 122.820 -0.014 0.000 2.604 234 A HA 0.774 5.095 4.320 0.002 0.000 0.295 234 A C -0.923 176.655 177.584 -0.010 0.000 1.067 234 A CA -0.273 51.707 52.037 -0.095 0.000 0.683 234 A CB 1.502 20.501 19.000 -0.002 0.000 1.281 234 A HN 0.648 nan 8.150 nan 0.000 0.407 235 E N 0.698 120.893 120.200 -0.009 0.000 2.408 235 E HA 0.862 5.214 4.350 0.002 0.000 0.275 235 E C -1.353 175.362 176.600 0.193 0.000 0.935 235 E CA -0.765 55.694 56.400 0.099 0.000 0.775 235 E CB 2.257 32.028 29.700 0.118 0.000 1.277 235 E HN 0.905 nan 8.360 nan 0.000 0.455 236 I N 0.054 120.733 120.570 0.181 0.000 2.882 236 I HA 0.344 4.515 4.170 0.002 0.000 0.298 236 I C -2.003 174.201 176.117 0.145 0.000 1.462 236 I CA -0.759 60.662 61.300 0.203 0.000 1.000 236 I CB 2.279 40.387 38.000 0.181 0.000 1.340 236 I HN 0.639 nan 8.210 nan 0.000 0.462 237 K N 5.389 125.895 120.400 0.176 0.000 2.206 237 K HA 0.488 4.810 4.320 0.002 0.000 0.264 237 K C -0.011 176.642 176.600 0.089 0.000 0.967 237 K CA -0.500 55.848 56.287 0.101 0.000 0.844 237 K CB 1.363 33.952 32.500 0.148 0.000 1.099 237 K HN 0.598 nan 8.250 nan 0.000 0.441 238 I N -0.126 120.386 120.570 -0.097 0.000 4.082 238 I HA 0.459 4.630 4.170 0.002 0.000 0.337 238 I C 0.312 176.276 176.117 -0.254 0.000 1.352 238 I CA -0.151 61.109 61.300 -0.066 0.000 1.097 238 I CB 1.154 39.126 38.000 -0.047 0.000 1.048 238 I HN 0.619 nan 8.210 nan 0.000 0.393 239 G N -0.266 108.164 108.800 -0.618 0.000 2.340 239 G HA2 0.357 4.318 3.960 0.002 0.000 0.299 239 G HA3 0.357 4.318 3.960 0.002 0.000 0.299 239 G C -0.376 174.206 174.900 -0.531 0.000 1.291 239 G CA 0.138 44.883 45.100 -0.592 0.000 0.841 239 G HN -0.145 nan 8.290 nan 0.000 0.500 240 S N -0.399 115.194 115.700 -0.179 0.000 2.475 240 S HA 0.270 4.741 4.470 0.002 0.000 0.224 240 S C 0.173 174.805 174.600 0.053 0.000 1.042 240 S CA 0.593 58.795 58.200 0.004 0.000 0.935 240 S CB 0.177 63.522 63.200 0.242 0.000 0.801 240 S HN 0.459 nan 8.310 nan 0.000 0.509 241 E N 0.567 120.814 120.200 0.080 0.000 2.260 241 E HA 0.707 5.058 4.350 0.002 0.000 0.266 241 E C -1.095 175.470 176.600 -0.059 0.000 0.887 241 E CA -0.293 56.141 56.400 0.058 0.000 0.777 241 E CB 2.044 31.860 29.700 0.193 0.000 1.205 241 E HN 0.232 nan 8.360 nan 0.000 0.414 242 A N 2.564 125.272 122.820 -0.186 0.000 2.572 242 A HA 0.712 5.033 4.320 0.002 0.000 0.295 242 A C -0.022 177.332 177.584 -0.382 0.000 1.072 242 A CA -0.576 51.296 52.037 -0.275 0.000 0.691 242 A CB 1.425 20.329 19.000 -0.161 0.000 1.291 242 A HN 0.419 nan 8.150 nan 0.000 0.404 243 R N -0.016 120.218 120.500 -0.443 0.000 2.582 243 R HA 0.207 4.548 4.340 0.002 0.000 0.285 243 R C 0.079 176.262 176.300 -0.194 0.000 0.940 243 R CA 0.979 56.830 56.100 -0.415 0.000 1.072 243 R CB 0.385 30.272 30.300 -0.688 0.000 1.527 243 R HN 0.890 nan 8.270 nan 0.000 0.538 244 S N 0.012 115.613 115.700 -0.164 0.000 2.570 244 S HA 0.782 5.253 4.470 0.002 0.000 0.286 244 S C -0.437 174.079 174.600 -0.140 0.000 1.099 244 S CA -0.738 57.390 58.200 -0.121 0.000 0.913 244 S CB 2.507 65.638 63.200 -0.115 0.000 1.085 244 S HN 0.142 nan 8.310 nan 0.000 0.480 245 I N 0.640 121.117 120.570 -0.154 0.000 2.841 245 I HA 0.756 4.927 4.170 0.002 0.000 0.298 245 I C -1.893 174.085 176.117 -0.231 0.000 1.304 245 I CA -0.186 60.993 61.300 -0.201 0.000 1.019 245 I CB 2.199 40.113 38.000 -0.144 0.000 1.282 245 I HN 0.914 nan 8.210 nan 0.000 0.432 246 E N 3.085 123.090 120.200 -0.325 0.000 2.423 246 E HA 0.609 4.961 4.350 0.002 0.000 0.280 246 E C -1.514 174.897 176.600 -0.315 0.000 1.030 246 E CA -0.414 55.828 56.400 -0.264 0.000 0.812 246 E CB 2.013 31.603 29.700 -0.183 0.000 1.313 246 E HN 0.611 nan 8.360 nan 0.000 0.456 247 T N -0.922 113.555 114.554 -0.129 0.000 2.932 247 T HA 0.666 5.018 4.350 0.002 0.000 0.289 247 T C -0.233 174.575 174.700 0.179 0.000 1.039 247 T CA -0.588 61.471 62.100 -0.068 0.000 1.024 247 T CB 1.108 69.903 68.868 -0.121 0.000 1.090 247 T HN 0.529 nan 8.240 nan 0.000 0.496 248 S N 0.874 116.628 115.700 0.090 0.000 2.516 248 S HA 0.288 4.759 4.470 0.002 0.000 0.282 248 S C 0.248 174.813 174.600 -0.058 0.000 1.286 248 S CA -0.742 57.362 58.200 -0.161 0.000 1.066 248 S CB 0.442 63.367 63.200 -0.458 0.000 0.884 248 S HN 0.827 nan 8.310 nan 0.000 0.491 249 K N 0.804 121.163 120.400 -0.069 0.000 2.447 249 K HA 0.225 4.546 4.320 0.002 0.000 0.205 249 K C -0.127 176.358 176.600 -0.191 0.000 1.059 249 K CA -0.327 55.859 56.287 -0.169 0.000 1.065 249 K CB 0.417 32.741 32.500 -0.293 0.000 0.885 249 K HN 0.623 nan 8.250 nan 0.000 0.545 250 M N 2.448 122.037 119.600 -0.019 0.000 2.200 250 M HA 0.052 4.533 4.480 0.002 0.000 0.355 250 M C -0.008 176.357 176.300 0.109 0.000 1.283 250 M CA -0.080 55.233 55.300 0.023 0.000 1.124 250 M CB 0.601 33.221 32.600 0.033 0.000 1.625 250 M HN 0.035 nan 8.290 nan 0.000 0.463 251 E N 3.475 123.691 120.200 0.027 0.000 2.652 251 E HA 0.221 4.573 4.350 0.002 0.000 0.255 251 E C 0.880 177.534 176.600 0.091 0.000 0.952 251 E CA 1.351 57.766 56.400 0.025 0.000 0.947 251 E CB -0.050 29.638 29.700 -0.021 0.000 0.912 251 E HN 0.969 nan 8.360 nan 0.000 0.489 252 G N 3.821 112.621 108.800 0.000 0.000 2.234 252 G HA2 -0.256 3.705 3.960 0.002 0.000 0.235 252 G HA3 -0.256 3.705 3.960 0.002 0.000 0.235 252 G C 0.077 174.776 174.900 -0.336 0.000 0.997 252 G CA 0.182 45.187 45.100 -0.158 0.000 0.623 252 G HN 0.643 nan 8.290 nan 0.000 0.514 253 W N 1.909 123.195 121.300 -0.024 0.000 2.771 253 W HA 0.632 5.293 4.660 0.002 0.000 0.412 253 W C 0.332 176.801 176.519 -0.084 0.000 0.965 253 W CA -0.561 56.773 57.345 -0.019 0.000 2.045 253 W CB 0.516 30.048 29.460 0.121 0.000 1.176 253 W HN 0.140 nan 8.180 nan 0.000 0.634 254 E N 1.103 121.329 120.200 0.042 0.000 2.415 254 E HA 0.011 4.362 4.350 0.002 0.000 0.263 254 E C 0.427 177.018 176.600 -0.015 0.000 0.995 254 E CA 1.022 57.423 56.400 0.002 0.000 0.915 254 E CB 0.112 29.797 29.700 -0.023 0.000 0.951 254 E HN 0.042 nan 8.360 nan 0.000 0.449 255 D N 1.910 122.313 120.400 0.005 0.000 3.046 255 D HA -0.197 4.444 4.640 0.002 0.000 0.210 255 D C 0.711 176.973 176.300 -0.064 0.000 1.124 255 D CA 0.855 54.870 54.000 0.025 0.000 0.986 255 D CB -0.482 40.358 40.800 0.067 0.000 1.118 255 D HN 0.360 nan 8.370 nan 0.000 0.416 256 K N -0.920 119.404 120.400 -0.127 0.000 2.076 256 K HA 0.044 4.365 4.320 0.002 0.000 0.204 256 K C 0.582 176.812 176.600 -0.617 0.000 1.051 256 K CA 1.186 57.262 56.287 -0.351 0.000 0.949 256 K CB 0.175 32.544 32.500 -0.218 0.000 0.726 256 K HN 0.342 nan 8.250 nan 0.000 0.443 257 Y N -1.434 118.803 120.300 -0.105 0.000 2.588 257 Y HA 0.530 5.082 4.550 0.002 0.000 0.343 257 Y C -0.553 175.259 175.900 -0.147 0.000 1.065 257 Y CA -1.587 56.442 58.100 -0.118 0.000 1.038 257 Y CB 1.854 40.220 38.460 -0.157 0.000 1.297 257 Y HN -0.096 nan 8.280 nan 0.000 0.467 258 A N 2.061 124.848 122.820 -0.055 0.000 2.413 258 A HA 0.878 5.199 4.320 0.002 0.000 0.307 258 A C -1.685 175.656 177.584 -0.404 0.000 1.087 258 A CA -0.818 50.989 52.037 -0.384 0.000 0.750 258 A CB 1.522 20.052 19.000 -0.783 0.000 1.296 258 A HN 0.759 nan 8.150 nan 0.000 0.423 259 I N 0.483 120.664 120.570 -0.649 0.000 2.582 259 I HA 0.732 4.903 4.170 0.002 0.000 0.292 259 I C -0.365 175.491 176.117 -0.435 0.000 1.066 259 I CA -0.684 60.228 61.300 -0.647 0.000 1.053 259 I CB 1.897 39.151 38.000 -1.242 0.000 1.241 259 I HN 0.861 nan 8.210 nan 0.000 0.421 260 A N 4.719 127.382 122.820 -0.262 0.000 2.374 260 A HA 0.894 5.215 4.320 0.002 0.000 0.317 260 A C -0.557 176.957 177.584 -0.115 0.000 1.094 260 A CA -0.459 51.468 52.037 -0.182 0.000 0.765 260 A CB 1.607 20.531 19.000 -0.127 0.000 1.268 260 A HN 0.850 nan 8.150 nan 0.000 0.438 261 G N -0.210 108.525 108.800 -0.109 0.000 2.495 261 G HA2 0.737 4.698 3.960 0.002 0.000 0.318 261 G HA3 0.737 4.698 3.960 0.002 0.000 0.318 261 G C -0.501 174.362 174.900 -0.061 0.000 1.257 261 G CA 0.129 45.200 45.100 -0.048 0.000 0.962 261 G HN 1.486 nan 8.290 nan 0.000 0.483 262 A N 1.144 123.953 122.820 -0.017 0.000 2.380 262 A HA 0.693 5.015 4.320 0.002 0.000 0.315 262 A C 0.064 177.735 177.584 0.145 0.000 1.101 262 A CA -0.663 51.364 52.037 -0.017 0.000 0.771 262 A CB 1.143 20.108 19.000 -0.058 0.000 1.287 262 A HN 0.621 nan 8.150 nan 0.000 0.436 263 Y N 0.017 120.320 120.300 0.005 0.000 2.206 263 Y HA 0.062 4.614 4.550 0.002 0.000 0.292 263 Y C 0.812 176.789 175.900 0.129 0.000 1.123 263 Y CA 0.490 58.626 58.100 0.061 0.000 1.142 263 Y CB 0.053 38.559 38.460 0.078 0.000 1.006 263 Y HN 0.677 nan 8.280 nan 0.000 0.518 264 W N 1.890 123.281 121.300 0.150 0.000 2.839 264 W HA 0.323 4.984 4.660 0.002 0.000 0.334 264 W C -2.974 173.571 176.519 0.043 0.000 1.064 264 W CA -2.339 55.053 57.345 0.080 0.000 1.236 264 W CB 2.120 31.615 29.460 0.059 0.000 1.405 264 W HN -0.139 nan 8.180 nan 0.000 0.478 265 P HA 0.162 nan 4.420 nan 0.000 0.273 265 P C -2.570 174.352 177.300 -0.630 0.000 1.250 265 P CA -1.060 61.181 63.100 -1.431 0.000 0.793 265 P CB 0.071 31.224 31.700 -0.912 0.000 1.011 266 P HA 0.133 nan 4.420 nan 0.000 0.268 266 P C -0.782 176.412 177.300 -0.177 0.000 1.541 266 P CA 0.367 63.332 63.100 -0.225 0.000 1.093 266 P CB -0.322 31.281 31.700 -0.161 0.000 1.551 267 Q N 2.676 122.404 119.800 -0.121 0.000 2.702 267 Q HA 0.494 4.835 4.340 0.002 0.000 0.289 267 Q C -1.650 174.329 176.000 -0.035 0.000 0.923 267 Q CA -1.095 54.628 55.803 -0.134 0.000 0.787 267 Q CB 1.171 29.797 28.738 -0.187 0.000 1.476 267 Q HN 0.294 nan 8.270 nan 0.000 0.402 268 Y N -1.612 118.627 120.300 -0.102 0.000 2.536 268 Y HA 0.855 5.407 4.550 0.002 0.000 0.347 268 Y C -1.452 174.371 175.900 -0.127 0.000 1.000 268 Y CA -1.228 56.798 58.100 -0.124 0.000 1.051 268 Y CB 1.916 40.293 38.460 -0.137 0.000 1.259 268 Y HN 0.438 nan 8.280 nan 0.000 0.468 269 V N 4.308 124.245 119.914 0.039 0.000 2.525 269 V HA 0.387 4.508 4.120 0.002 0.000 0.299 269 V C -0.342 175.719 176.094 -0.054 0.000 1.034 269 V CA -0.944 61.325 62.300 -0.051 0.000 0.863 269 V CB 1.567 33.344 31.823 -0.076 0.000 0.999 269 V HN 0.787 nan 8.190 nan 0.000 0.423 270 I N 5.623 126.161 120.570 -0.055 0.000 2.312 270 I HA 0.416 4.587 4.170 0.002 0.000 0.291 270 I C -0.003 176.061 176.117 -0.088 0.000 1.031 270 I CA 0.184 61.424 61.300 -0.100 0.000 1.293 270 I CB 1.009 38.947 38.000 -0.105 0.000 1.403 270 I HN 0.500 nan 8.210 nan 0.000 0.484 271 M N 4.810 124.376 119.600 -0.057 0.000 2.578 271 M HA 0.301 4.783 4.480 0.002 0.000 0.321 271 M C -0.089 176.278 176.300 0.112 0.000 1.182 271 M CA -0.775 54.504 55.300 -0.034 0.000 0.965 271 M CB 1.568 34.115 32.600 -0.089 0.000 1.694 271 M HN 0.434 nan 8.290 nan 0.000 0.461 272 D N 1.178 121.610 120.400 0.054 0.000 2.458 272 D HA -0.002 4.640 4.640 0.002 0.000 0.243 272 D C 0.890 177.191 176.300 0.001 0.000 1.146 272 D CA 0.439 54.465 54.000 0.043 0.000 0.877 272 D CB 1.371 42.167 40.800 -0.006 0.000 1.176 272 D HN 0.839 nan 8.370 nan 0.000 0.461 273 G N 3.479 112.238 108.800 -0.069 0.000 2.509 273 G HA2 -0.186 3.775 3.960 0.002 0.000 0.218 273 G HA3 -0.186 3.775 3.960 0.002 0.000 0.218 273 G C 1.251 176.105 174.900 -0.077 0.000 1.124 273 G CA 0.313 45.393 45.100 -0.034 0.000 0.776 273 G HN 0.601 nan 8.290 nan 0.000 0.547 274 E N -0.743 119.378 120.200 -0.132 0.000 2.290 274 E HA -0.014 4.337 4.350 0.002 0.000 0.197 274 E C 2.489 178.994 176.600 -0.158 0.000 0.948 274 E CA 1.190 57.451 56.400 -0.233 0.000 0.895 274 E CB 0.392 30.020 29.700 -0.121 0.000 0.865 274 E HN 0.531 nan 8.360 nan 0.000 0.486 275 T N -2.479 112.071 114.554 -0.006 0.000 2.959 275 T HA 0.211 4.562 4.350 0.002 0.000 0.254 275 T C 1.175 176.042 174.700 0.280 0.000 1.003 275 T CA -0.225 61.962 62.100 0.145 0.000 0.950 275 T CB 0.439 69.474 68.868 0.278 0.000 1.090 275 T HN 0.129 nan 8.240 nan 0.000 0.503 276 L N 0.174 121.471 121.223 0.125 0.000 4.937 276 L HA -0.156 4.186 4.340 0.002 0.000 0.422 276 L C 0.358 177.024 176.870 -0.340 0.000 1.059 276 L CA 0.487 55.350 54.840 0.039 0.000 1.111 276 L CB -1.800 40.348 42.059 0.149 0.000 2.033 276 L HN 0.543 nan 8.230 nan 0.000 0.708 277 E N 3.420 123.348 120.200 -0.453 0.000 2.529 277 E HA 0.028 4.379 4.350 0.002 0.000 0.259 277 E C -1.938 174.280 176.600 -0.637 0.000 0.966 277 E CA -1.245 54.466 56.400 -1.148 0.000 0.937 277 E CB 0.670 29.971 29.700 -0.665 0.000 0.923 277 E HN 0.056 nan 8.360 nan 0.000 0.468 278 P HA 0.038 nan 4.420 nan 0.000 0.276 278 P C -0.537 176.624 177.300 -0.232 0.000 1.264 278 P CA -0.112 62.792 63.100 -0.328 0.000 0.769 278 P CB 1.141 32.679 31.700 -0.270 0.000 0.840 279 K N 1.956 122.268 120.400 -0.146 0.000 2.287 279 K HA 0.133 4.455 4.320 0.002 0.000 0.199 279 K C 0.493 177.040 176.600 -0.088 0.000 1.061 279 K CA 0.824 57.057 56.287 -0.090 0.000 0.976 279 K CB 0.298 32.786 32.500 -0.020 0.000 0.898 279 K HN 0.280 nan 8.250 nan 0.000 0.492 280 K N 0.890 121.229 120.400 -0.101 0.000 2.581 280 K HA 0.399 4.720 4.320 0.002 0.000 0.249 280 K C -1.539 174.976 176.600 -0.142 0.000 0.966 280 K CA -0.076 56.147 56.287 -0.107 0.000 0.811 280 K CB 0.964 33.408 32.500 -0.092 0.000 1.223 280 K HN -0.115 nan 8.250 nan 0.000 0.438 281 I N 3.888 124.358 120.570 -0.167 0.000 2.354 281 I HA 0.392 4.563 4.170 0.002 0.000 0.292 281 I C -0.317 175.605 176.117 -0.325 0.000 0.989 281 I CA -0.889 60.274 61.300 -0.227 0.000 1.188 281 I CB 1.728 39.635 38.000 -0.155 0.000 1.342 281 I HN 0.327 nan 8.210 nan 0.000 0.457 282 Q N 4.265 123.720 119.800 -0.575 0.000 2.330 282 Q HA 0.328 4.670 4.340 0.002 0.000 0.269 282 Q C -0.568 175.133 176.000 -0.497 0.000 1.022 282 Q CA -0.475 54.958 55.803 -0.618 0.000 0.796 282 Q CB 2.469 30.585 28.738 -1.037 0.000 1.271 282 Q HN 0.693 nan 8.270 nan 0.000 0.450 283 S N 0.913 116.453 115.700 -0.266 0.000 2.564 283 S HA 0.169 4.640 4.470 0.002 0.000 0.278 283 S C 0.954 175.488 174.600 -0.110 0.000 1.333 283 S CA 0.139 58.237 58.200 -0.170 0.000 1.048 283 S CB 0.446 63.588 63.200 -0.097 0.000 0.900 283 S HN 0.656 nan 8.310 nan 0.000 0.505 284 T N 2.014 116.528 114.554 -0.067 0.000 3.069 284 T HA 0.308 4.659 4.350 0.002 0.000 0.252 284 T C 0.541 175.233 174.700 -0.014 0.000 1.053 284 T CA -0.347 61.748 62.100 -0.009 0.000 0.964 284 T CB -0.129 68.753 68.868 0.024 0.000 1.005 284 T HN 0.578 nan 8.240 nan 0.000 0.532 285 R N 1.078 121.573 120.500 -0.010 0.000 2.570 285 R HA 0.523 4.864 4.340 0.002 0.000 0.277 285 R C 0.840 177.188 176.300 0.080 0.000 1.039 285 R CA 0.929 57.039 56.100 0.017 0.000 1.065 285 R CB 0.319 30.684 30.300 0.109 0.000 0.964 285 R HN 0.569 nan 8.270 nan 0.000 0.428 286 G N 1.378 110.188 108.800 0.016 0.000 2.335 286 G HA2 0.170 4.132 3.960 0.002 0.000 0.291 286 G HA3 0.170 4.132 3.960 0.002 0.000 0.291 286 G C -1.524 173.420 174.900 0.073 0.000 1.261 286 G CA -0.940 44.239 45.100 0.132 0.000 0.871 286 G HN 0.242 nan 8.290 nan 0.000 0.491 287 M N 1.990 121.653 119.600 0.104 0.000 2.277 287 M HA 0.388 4.870 4.480 0.002 0.000 0.350 287 M C 0.932 177.257 176.300 0.042 0.000 1.180 287 M CA -0.630 54.722 55.300 0.087 0.000 1.103 287 M CB 0.613 33.268 32.600 0.092 0.000 1.577 287 M HN 0.830 nan 8.290 nan 0.000 0.459 288 T N 0.055 114.623 114.554 0.024 0.000 2.940 288 T HA 0.062 4.413 4.350 0.002 0.000 0.309 288 T C 1.016 175.709 174.700 -0.012 0.000 1.056 288 T CA -0.213 61.884 62.100 -0.005 0.000 1.137 288 T CB 0.169 69.013 68.868 -0.041 0.000 0.976 288 T HN 0.681 nan 8.240 nan 0.000 0.547 289 Y N 2.097 122.364 120.300 -0.055 0.000 2.293 289 Y HA -0.045 4.507 4.550 0.002 0.000 0.291 289 Y C 1.673 177.555 175.900 -0.029 0.000 1.137 289 Y CA 1.448 59.523 58.100 -0.042 0.000 1.202 289 Y CB -0.584 37.843 38.460 -0.056 0.000 0.990 289 Y HN 0.705 nan 8.280 nan 0.000 0.537 290 D N 0.137 119.859 120.400 -1.129 0.000 2.355 290 D HA -0.114 4.527 4.640 0.002 0.000 0.233 290 D C 1.424 177.499 176.300 -0.375 0.000 0.997 290 D CA 1.384 54.825 54.000 -0.931 0.000 0.920 290 D CB -0.882 39.249 40.800 -1.115 0.000 1.063 290 D HN 0.579 nan 8.370 nan 0.000 0.465 291 E N 0.126 120.162 120.200 -0.274 0.000 2.435 291 E HA 0.012 4.363 4.350 0.002 0.000 0.195 291 E C -0.138 176.413 176.600 -0.081 0.000 1.029 291 E CA -0.055 56.265 56.400 -0.133 0.000 0.865 291 E CB -0.080 29.568 29.700 -0.086 0.000 0.833 291 E HN 0.285 nan 8.360 nan 0.000 0.510 292 Q N 1.311 121.060 119.800 -0.084 0.000 2.447 292 Q HA -0.172 4.169 4.340 0.002 0.000 0.348 292 Q C -0.902 175.105 176.000 0.012 0.000 1.421 292 Q CA 0.599 56.387 55.803 -0.025 0.000 0.978 292 Q CB -0.958 27.770 28.738 -0.017 0.000 1.191 292 Q HN 0.221 nan 8.270 nan 0.000 0.371 293 E N 0.647 120.863 120.200 0.028 0.000 2.266 293 E HA 0.237 4.589 4.350 0.002 0.000 0.268 293 E C -0.808 175.862 176.600 0.117 0.000 0.879 293 E CA -1.013 55.427 56.400 0.067 0.000 0.762 293 E CB 1.023 30.749 29.700 0.044 0.000 1.199 293 E HN 0.252 nan 8.360 nan 0.000 0.422 294 Y N 2.755 123.072 120.300 0.027 0.000 2.620 294 Y HA 0.008 4.559 4.550 0.002 0.000 0.330 294 Y C -0.275 175.664 175.900 0.064 0.000 1.186 294 Y CA 0.703 58.831 58.100 0.045 0.000 1.467 294 Y CB 0.326 38.802 38.460 0.026 0.000 1.262 294 Y HN 0.378 nan 8.280 nan 0.000 0.550 295 H N 8.589 127.250 119.070 -0.681 0.000 2.658 295 H HA 0.295 4.853 4.556 0.002 0.000 0.337 295 H C -2.330 172.517 175.328 -0.803 0.000 1.009 295 H CA -2.454 53.281 56.048 -0.522 0.000 1.231 295 H CB 2.422 32.033 29.762 -0.253 0.000 1.508 295 H HN 0.489 nan 8.280 nan 0.000 0.517 296 P HA 0.093 nan 4.420 nan 0.000 0.257 296 P C 0.055 177.436 177.300 0.134 0.000 1.281 296 P CA 0.441 63.440 63.100 -0.168 0.000 0.826 296 P CB 0.663 32.395 31.700 0.052 0.000 1.237 297 E N 0.704 121.108 120.200 0.341 0.000 3.832 297 E HA 0.256 4.608 4.350 0.002 0.000 0.250 297 E C -2.701 173.974 176.600 0.125 0.000 1.215 297 E CA -1.738 54.844 56.400 0.304 0.000 1.179 297 E CB 0.932 30.860 29.700 0.380 0.000 1.270 297 E HN 0.045 nan 8.360 nan 0.000 0.405 298 P HA 0.223 nan 4.420 nan 0.000 0.274 298 P C -0.802 176.453 177.300 -0.075 0.000 1.504 298 P CA -0.319 62.676 63.100 -0.175 0.000 1.011 298 P CB 0.280 31.873 31.700 -0.178 0.000 1.366 299 R N 1.609 122.064 120.500 -0.075 0.000 2.643 299 R HA 0.277 4.619 4.340 0.002 0.000 0.270 299 R C -0.044 176.291 176.300 0.059 0.000 1.061 299 R CA -0.632 55.464 56.100 -0.006 0.000 1.107 299 R CB 0.458 30.624 30.300 -0.223 0.000 0.999 299 R HN 0.197 nan 8.270 nan 0.000 0.460 300 V N 3.183 123.191 119.914 0.157 0.000 2.488 300 V HA 0.211 4.333 4.120 0.002 0.000 0.277 300 V C 0.721 176.933 176.094 0.197 0.000 1.046 300 V CA 0.228 62.603 62.300 0.125 0.000 0.986 300 V CB 0.812 32.688 31.823 0.087 0.000 0.989 300 V HN 1.000 nan 8.190 nan 0.000 0.475 301 A N 5.062 127.952 122.820 0.118 0.000 3.711 301 A HA 0.890 5.211 4.320 0.002 0.000 0.185 301 A C 0.923 178.497 177.584 -0.017 0.000 1.697 301 A CA 0.213 52.307 52.037 0.096 0.000 1.787 301 A CB -0.442 18.601 19.000 0.073 0.000 1.545 301 A HN 1.067 nan 8.150 nan 0.000 0.553 302 A N -0.477 122.309 122.820 -0.057 0.000 2.498 302 A HA 0.511 4.833 4.320 0.002 0.000 0.239 302 A C -0.341 177.204 177.584 -0.065 0.000 1.068 302 A CA 0.296 52.308 52.037 -0.042 0.000 0.766 302 A CB -0.548 18.466 19.000 0.025 0.000 1.003 302 A HN 0.496 nan 8.150 nan 0.000 0.497 303 I N 2.299 122.804 120.570 -0.109 0.000 2.418 303 I HA 0.355 4.527 4.170 0.002 0.000 0.287 303 I C -0.849 175.176 176.117 -0.154 0.000 1.008 303 I CA -0.389 60.804 61.300 -0.179 0.000 1.104 303 I CB 1.543 39.394 38.000 -0.248 0.000 1.264 303 I HN 0.449 nan 8.210 nan 0.000 0.438 304 L N 5.046 126.148 121.223 -0.202 0.000 2.260 304 L HA 0.881 5.222 4.340 0.002 0.000 0.265 304 L C -0.109 176.760 176.870 -0.001 0.000 1.015 304 L CA -0.542 54.227 54.840 -0.119 0.000 0.826 304 L CB 1.716 43.642 42.059 -0.222 0.000 1.373 304 L HN 0.647 nan 8.230 nan 0.000 0.450 305 A N -0.036 122.836 122.820 0.087 0.000 2.356 305 A HA 0.668 4.989 4.320 0.002 0.000 0.310 305 A C -0.529 177.125 177.584 0.118 0.000 1.075 305 A CA -0.459 51.663 52.037 0.141 0.000 0.746 305 A CB 1.418 20.521 19.000 0.173 0.000 1.221 305 A HN 0.504 nan 8.150 nan 0.000 0.443 306 S N 0.425 116.143 115.700 0.031 0.000 2.562 306 S HA 0.161 4.633 4.470 0.002 0.000 0.281 306 S C 0.686 175.386 174.600 0.166 0.000 1.333 306 S CA -0.105 58.145 58.200 0.085 0.000 1.052 306 S CB 0.021 63.195 63.200 -0.044 0.000 0.884 306 S HN 0.730 nan 8.310 nan 0.000 0.506 307 H N 2.857 121.959 119.070 0.054 0.000 2.648 307 H HA 0.097 4.654 4.556 0.002 0.000 0.265 307 H C 0.378 175.677 175.328 -0.049 0.000 0.961 307 H CA 0.448 56.499 56.048 0.005 0.000 1.185 307 H CB 0.362 30.123 29.762 -0.001 0.000 1.449 307 H HN 0.688 nan 8.280 nan 0.000 0.523 308 Y N 0.657 120.976 120.300 0.032 0.000 2.479 308 Y HA 0.188 4.739 4.550 0.002 0.000 0.283 308 Y C 0.760 176.615 175.900 -0.075 0.000 1.109 308 Y CA 0.364 58.447 58.100 -0.029 0.000 1.239 308 Y CB 0.744 39.165 38.460 -0.065 0.000 1.108 308 Y HN -0.103 nan 8.280 nan 0.000 0.548 309 R N -0.164 120.340 120.500 0.006 0.000 2.808 309 R HA 0.320 4.662 4.340 0.002 0.000 0.272 309 R C -2.775 173.333 176.300 -0.320 0.000 0.995 309 R CA -2.152 53.864 56.100 -0.139 0.000 0.917 309 R CB 1.027 31.234 30.300 -0.154 0.000 1.217 309 R HN -0.302 nan 8.270 nan 0.000 0.471 310 P HA 0.106 nan 4.420 nan 0.000 0.235 310 P C -1.167 175.156 177.300 -1.629 0.000 1.765 310 P CA 0.342 62.754 63.100 -1.147 0.000 1.034 310 P CB 0.064 30.945 31.700 -1.365 0.000 1.984 311 E N 0.650 120.232 120.200 -1.030 0.000 2.367 311 E HA 0.498 4.849 4.350 0.002 0.000 0.273 311 E C -0.894 175.465 176.600 -0.401 0.000 0.903 311 E CA -0.785 55.191 56.400 -0.707 0.000 0.764 311 E CB 1.377 30.845 29.700 -0.385 0.000 1.252 311 E HN 0.035 nan 8.360 nan 0.000 0.446 312 F N 1.326 121.212 119.950 -0.105 0.000 2.425 312 F HA 0.460 4.988 4.527 0.002 0.000 0.331 312 F C 0.230 175.883 175.800 -0.244 0.000 1.085 312 F CA -0.689 57.232 58.000 -0.131 0.000 1.028 312 F CB 0.825 39.732 39.000 -0.156 0.000 1.177 312 F HN 0.234 nan 8.300 nan 0.000 0.487 313 I N 3.428 123.953 120.570 -0.076 0.000 2.359 313 I HA 0.359 4.530 4.170 0.002 0.000 0.284 313 I C -1.121 174.814 176.117 -0.303 0.000 1.018 313 I CA -0.589 60.548 61.300 -0.271 0.000 1.173 313 I CB 1.149 38.842 38.000 -0.513 0.000 1.326 313 I HN 0.125 nan 8.210 nan 0.000 0.462 314 V N 5.682 125.441 119.914 -0.258 0.000 2.378 314 V HA 0.337 4.459 4.120 0.002 0.000 0.288 314 V C -0.109 175.911 176.094 -0.123 0.000 1.016 314 V CA -0.805 61.348 62.300 -0.244 0.000 0.840 314 V CB 1.524 33.106 31.823 -0.402 0.000 0.994 314 V HN 0.582 nan 8.190 nan 0.000 0.431 315 N N 3.379 122.048 118.700 -0.052 0.000 2.430 315 N HA 0.361 5.103 4.740 0.002 0.000 0.265 315 N C -0.553 174.956 175.510 -0.002 0.000 1.100 315 N CA -0.112 52.948 53.050 0.016 0.000 0.961 315 N CB 1.833 40.372 38.487 0.085 0.000 1.075 315 N HN 0.434 nan 8.380 nan 0.000 0.478 316 V N 3.565 123.470 119.914 -0.016 0.000 2.313 316 V HA 0.176 4.298 4.120 0.002 0.000 0.278 316 V C 1.583 177.639 176.094 -0.064 0.000 1.017 316 V CA -0.691 61.593 62.300 -0.027 0.000 0.823 316 V CB 1.373 33.181 31.823 -0.026 0.000 1.010 316 V HN 0.657 nan 8.190 nan 0.000 0.443 317 K N 3.330 123.695 120.400 -0.058 0.000 1.969 317 K HA -0.183 4.139 4.320 0.002 0.000 0.216 317 K C 1.595 178.053 176.600 -0.236 0.000 1.048 317 K CA 2.101 58.341 56.287 -0.077 0.000 0.948 317 K CB 0.212 32.712 32.500 -0.000 0.000 0.726 317 K HN 0.684 nan 8.250 nan 0.000 0.442 318 E N -0.412 119.598 120.200 -0.316 0.000 2.274 318 E HA -0.087 4.264 4.350 0.002 0.000 0.194 318 E C 1.671 177.984 176.600 -0.479 0.000 0.996 318 E CA 1.582 57.668 56.400 -0.523 0.000 0.840 318 E CB 0.076 29.319 29.700 -0.762 0.000 0.772 318 E HN 0.590 nan 8.360 nan 0.000 0.491 319 T N -3.736 110.630 114.554 -0.314 0.000 3.065 319 T HA 0.238 4.589 4.350 0.002 0.000 0.252 319 T C 1.523 176.200 174.700 -0.039 0.000 1.099 319 T CA 0.195 62.204 62.100 -0.152 0.000 1.063 319 T CB 0.265 69.074 68.868 -0.097 0.000 0.948 319 T HN 0.192 nan 8.240 nan 0.000 0.506 320 G N 2.129 110.858 108.800 -0.118 0.000 2.272 320 G HA2 -0.189 3.772 3.960 0.002 0.000 0.280 320 G HA3 -0.189 3.772 3.960 0.002 0.000 0.280 320 G C -0.311 174.495 174.900 -0.157 0.000 1.067 320 G CA -0.232 44.787 45.100 -0.134 0.000 0.902 320 G HN 0.552 nan 8.290 nan 0.000 0.500 321 K N -0.160 120.183 120.400 -0.094 0.000 2.270 321 K HA 0.635 4.956 4.320 0.002 0.000 0.255 321 K C 0.175 176.738 176.600 -0.061 0.000 0.936 321 K CA -0.849 55.395 56.287 -0.073 0.000 0.809 321 K CB 2.115 34.599 32.500 -0.027 0.000 1.131 321 K HN 0.252 nan 8.250 nan 0.000 0.427 322 I N 4.105 124.639 120.570 -0.059 0.000 2.339 322 I HA 0.287 4.459 4.170 0.002 0.000 0.290 322 I C -0.151 175.936 176.117 -0.049 0.000 0.994 322 I CA -0.760 60.523 61.300 -0.028 0.000 1.191 322 I CB 0.877 38.891 38.000 0.023 0.000 1.343 322 I HN 0.222 nan 8.210 nan 0.000 0.458 323 L N 7.204 128.384 121.223 -0.072 0.000 2.275 323 L HA 0.496 4.837 4.340 0.002 0.000 0.288 323 L C -0.529 176.269 176.870 -0.122 0.000 1.046 323 L CA -0.625 54.165 54.840 -0.084 0.000 0.805 323 L CB 1.040 43.050 42.059 -0.081 0.000 1.193 323 L HN 0.430 nan 8.230 nan 0.000 0.426 324 L N 4.830 125.990 121.223 -0.106 0.000 2.264 324 L HA 0.403 4.745 4.340 0.002 0.000 0.287 324 L C -0.494 176.301 176.870 -0.125 0.000 1.039 324 L CA -0.611 54.151 54.840 -0.129 0.000 0.829 324 L CB 1.477 43.459 42.059 -0.127 0.000 1.211 324 L HN 0.328 nan 8.230 nan 0.000 0.427 325 V N 2.061 121.898 119.914 -0.128 0.000 2.328 325 V HA 0.156 4.277 4.120 0.002 0.000 0.278 325 V C 0.081 176.068 176.094 -0.178 0.000 1.021 325 V CA -0.594 61.651 62.300 -0.092 0.000 0.838 325 V CB 1.512 33.312 31.823 -0.037 0.000 0.999 325 V HN 0.604 nan 8.190 nan 0.000 0.447 326 D N 4.456 124.718 120.400 -0.230 0.000 2.339 326 D HA 0.074 4.715 4.640 0.002 0.000 0.256 326 D C 0.332 176.409 176.300 -0.372 0.000 1.214 326 D CA -0.269 53.489 54.000 -0.405 0.000 0.877 326 D CB 1.141 41.756 40.800 -0.308 0.000 1.111 326 D HN 0.659 nan 8.370 nan 0.000 0.478 327 Y N 1.137 121.170 120.300 -0.445 0.000 2.532 327 Y HA 0.149 4.700 4.550 0.002 0.000 0.283 327 Y C 1.868 177.486 175.900 -0.470 0.000 1.181 327 Y CA -0.013 57.795 58.100 -0.486 0.000 1.256 327 Y CB -0.671 37.417 38.460 -0.620 0.000 1.112 327 Y HN 0.232 nan 8.280 nan 0.000 0.521 328 T N -3.488 110.818 114.554 -0.414 0.000 2.985 328 T HA -0.035 4.316 4.350 0.002 0.000 0.266 328 T C 0.189 174.924 174.700 0.059 0.000 1.076 328 T CA 0.962 62.937 62.100 -0.210 0.000 1.135 328 T CB -0.005 68.759 68.868 -0.172 0.000 0.890 328 T HN 0.304 nan 8.240 nan 0.000 0.480 329 D N -0.052 120.338 120.400 -0.016 0.000 2.478 329 D HA 0.283 4.924 4.640 0.002 0.000 0.240 329 D C 0.522 176.815 176.300 -0.012 0.000 1.364 329 D CA -0.491 53.522 54.000 0.023 0.000 0.987 329 D CB 1.152 41.958 40.800 0.011 0.000 1.328 329 D HN 0.165 nan 8.370 nan 0.000 0.584 330 L N 1.906 123.130 121.223 0.000 0.000 2.492 330 L HA 0.089 4.430 4.340 0.002 0.000 0.223 330 L C 1.160 178.019 176.870 -0.020 0.000 1.132 330 L CA 0.403 55.225 54.840 -0.030 0.000 0.850 330 L CB 0.210 42.241 42.059 -0.047 0.000 0.966 330 L HN 0.273 nan 8.230 nan 0.000 0.454 331 D N -0.287 120.111 120.400 -0.003 0.000 2.262 331 D HA 0.002 4.643 4.640 0.002 0.000 0.212 331 D C 0.632 176.926 176.300 -0.010 0.000 0.964 331 D CA 0.727 54.724 54.000 -0.006 0.000 0.875 331 D CB 0.170 40.973 40.800 0.005 0.000 0.996 331 D HN 0.234 nan 8.370 nan 0.000 0.497 332 N N 1.540 120.235 118.700 -0.009 0.000 3.091 332 N HA 0.146 4.888 4.740 0.002 0.000 0.255 332 N C -0.593 174.902 175.510 -0.024 0.000 1.204 332 N CA -0.243 52.798 53.050 -0.014 0.000 0.990 332 N CB 1.463 39.945 38.487 -0.009 0.000 1.260 332 N HN 0.067 nan 8.380 nan 0.000 0.502 333 L N 1.849 123.056 121.223 -0.027 0.000 2.325 333 L HA 0.172 4.513 4.340 0.002 0.000 0.284 333 L C 0.122 176.969 176.870 -0.037 0.000 1.089 333 L CA -0.040 54.779 54.840 -0.034 0.000 0.836 333 L CB 0.148 42.191 42.059 -0.026 0.000 1.184 333 L HN 0.083 nan 8.230 nan 0.000 0.444 334 K N 3.907 124.274 120.400 -0.056 0.000 2.258 334 K HA 0.460 4.782 4.320 0.002 0.000 0.284 334 K C -0.141 176.420 176.600 -0.065 0.000 1.051 334 K CA -0.299 55.951 56.287 -0.062 0.000 0.923 334 K CB 0.821 33.273 32.500 -0.081 0.000 1.046 334 K HN 0.744 nan 8.250 nan 0.000 0.474 335 T N -1.162 113.365 114.554 -0.046 0.000 2.906 335 T HA 0.412 4.763 4.350 0.002 0.000 0.295 335 T C -0.353 174.319 174.700 -0.046 0.000 1.075 335 T CA -0.830 61.245 62.100 -0.042 0.000 1.005 335 T CB 1.797 70.663 68.868 -0.003 0.000 1.136 335 T HN 0.268 nan 8.240 nan 0.000 0.498 336 T N 1.976 116.497 114.554 -0.055 0.000 2.791 336 T HA 0.417 4.769 4.350 0.002 0.000 0.288 336 T C -0.612 174.062 174.700 -0.042 0.000 0.999 336 T CA -0.605 61.464 62.100 -0.051 0.000 0.952 336 T CB 1.123 69.952 68.868 -0.065 0.000 0.938 336 T HN 0.802 nan 8.240 nan 0.000 0.444 337 E N 4.722 124.905 120.200 -0.028 0.000 2.014 337 E HA 0.297 4.648 4.350 0.002 0.000 0.275 337 E C -0.689 175.894 176.600 -0.028 0.000 0.997 337 E CA -0.473 55.915 56.400 -0.020 0.000 0.804 337 E CB 0.345 30.044 29.700 -0.001 0.000 1.090 337 E HN 0.586 nan 8.360 nan 0.000 0.401 338 I N 3.677 124.220 120.570 -0.045 0.000 2.312 338 I HA 0.088 4.259 4.170 0.002 0.000 0.291 338 I C 0.247 176.315 176.117 -0.083 0.000 1.031 338 I CA -0.459 60.804 61.300 -0.061 0.000 1.293 338 I CB 1.510 39.465 38.000 -0.074 0.000 1.403 338 I HN 0.394 nan 8.210 nan 0.000 0.484 339 S N 5.104 120.763 115.700 -0.068 0.000 2.498 339 S HA 0.382 4.853 4.470 0.002 0.000 0.281 339 S C 0.582 174.999 174.600 -0.305 0.000 1.265 339 S CA -0.165 57.970 58.200 -0.108 0.000 1.071 339 S CB 1.075 64.308 63.200 0.056 0.000 0.894 339 S HN 0.799 nan 8.310 nan 0.000 0.491 340 A N 3.545 126.021 122.820 -0.573 0.000 2.290 340 A HA 0.803 5.125 4.320 0.002 0.000 0.204 340 A C -0.195 176.863 177.584 -0.877 0.000 2.001 340 A CA -0.184 51.523 52.037 -0.549 0.000 1.643 340 A CB 0.144 18.944 19.000 -0.333 0.000 1.293 340 A HN 0.591 nan 8.150 nan 0.000 0.474 341 E N -0.136 119.677 120.200 -0.644 0.000 2.343 341 E HA 0.511 4.862 4.350 0.002 0.000 0.278 341 E C -1.108 175.364 176.600 -0.214 0.000 0.910 341 E CA -0.502 55.638 56.400 -0.433 0.000 0.757 341 E CB 1.255 30.854 29.700 -0.167 0.000 1.218 341 E HN 0.433 nan 8.360 nan 0.000 0.435 342 R N 2.221 122.701 120.500 -0.033 0.000 2.694 342 R HA 0.304 4.645 4.340 0.002 0.000 0.268 342 R C -0.317 175.820 176.300 -0.271 0.000 1.061 342 R CA 0.263 56.180 56.100 -0.305 0.000 1.133 342 R CB 0.079 30.040 30.300 -0.564 0.000 1.020 342 R HN 0.667 nan 8.270 nan 0.000 0.475 343 F N -1.366 118.593 119.950 0.016 0.000 2.893 343 F HA -0.201 4.327 4.527 0.002 0.000 0.287 343 F C -0.048 175.776 175.800 0.039 0.000 0.766 343 F CA -0.229 57.782 58.000 0.018 0.000 1.362 343 F CB -2.154 36.856 39.000 0.016 0.000 1.518 343 F HN 0.405 nan 8.300 nan 0.000 0.417 344 L N 0.520 121.788 121.223 0.076 0.000 2.578 344 L HA 0.108 4.449 4.340 0.002 0.000 0.279 344 L C 1.394 178.378 176.870 0.190 0.000 1.227 344 L CA 0.739 55.627 54.840 0.078 0.000 0.900 344 L CB 0.444 42.509 42.059 0.009 0.000 1.144 344 L HN 0.361 nan 8.230 nan 0.000 0.496 345 H N 1.269 120.382 119.070 0.072 0.000 5.025 345 H HA 0.216 4.773 4.556 0.002 0.000 0.095 345 H C -0.524 174.868 175.328 0.107 0.000 1.287 345 H CA 0.235 56.351 56.048 0.112 0.000 0.619 345 H CB 0.576 30.416 29.762 0.131 0.000 1.585 345 H HN 0.729 nan 8.280 nan 0.000 0.173 346 D N -0.163 120.243 120.400 0.010 0.000 2.442 346 D HA 0.567 5.208 4.640 0.002 0.000 0.254 346 D C 0.313 176.643 176.300 0.049 0.000 1.069 346 D CA -0.358 53.625 54.000 -0.028 0.000 1.017 346 D CB 1.890 42.640 40.800 -0.083 0.000 1.172 346 D HN 0.708 nan 8.370 nan 0.000 0.561 347 G N -2.612 106.272 108.800 0.141 0.000 2.320 347 G HA2 0.598 4.559 3.960 0.002 0.000 0.296 347 G HA3 0.598 4.559 3.960 0.002 0.000 0.296 347 G C -1.216 173.892 174.900 0.347 0.000 1.306 347 G CA -0.348 44.846 45.100 0.156 0.000 0.836 347 G HN 0.845 nan 8.290 nan 0.000 0.517 348 G N -1.429 107.586 108.800 0.357 0.000 2.684 348 G HA2 0.665 4.626 3.960 0.002 0.000 0.290 348 G HA3 0.665 4.626 3.960 0.002 0.000 0.290 348 G C -0.998 174.186 174.900 0.474 0.000 1.425 348 G CA -0.884 44.530 45.100 0.523 0.000 0.822 348 G HN 0.700 nan 8.290 nan 0.000 0.482 349 L N 1.394 122.965 121.223 0.580 0.000 2.418 349 L HA 0.299 4.640 4.340 0.002 0.000 0.265 349 L C 0.844 177.828 176.870 0.190 0.000 1.143 349 L CA -1.026 53.992 54.840 0.296 0.000 0.809 349 L CB 0.907 43.092 42.059 0.211 0.000 1.124 349 L HN 0.765 nan 8.230 nan 0.000 0.456 350 D N 1.431 121.878 120.400 0.078 0.000 2.346 350 D HA -0.033 4.609 4.640 0.002 0.000 0.249 350 D C 1.131 177.358 176.300 -0.123 0.000 1.308 350 D CA 0.073 54.120 54.000 0.078 0.000 0.987 350 D CB 0.747 41.646 40.800 0.164 0.000 1.114 350 D HN 0.614 nan 8.370 nan 0.000 0.529 351 G N -0.858 107.887 108.800 -0.092 0.000 2.432 351 G HA2 -0.256 3.705 3.960 0.002 0.000 0.219 351 G HA3 -0.256 3.705 3.960 0.002 0.000 0.219 351 G C 1.543 176.246 174.900 -0.327 0.000 1.135 351 G CA 1.241 46.200 45.100 -0.235 0.000 0.767 351 G HN 0.591 nan 8.290 nan 0.000 0.550 352 S N -0.770 114.857 115.700 -0.122 0.000 2.522 352 S HA 0.031 4.502 4.470 0.002 0.000 0.227 352 S C 1.075 175.723 174.600 0.081 0.000 0.986 352 S CA 0.876 59.086 58.200 0.018 0.000 0.929 352 S CB -0.391 62.892 63.200 0.137 0.000 0.769 352 S HN 0.634 nan 8.310 nan 0.000 0.529 353 H N -0.363 118.709 119.070 0.002 0.000 2.992 353 H HA -0.141 4.416 4.556 0.002 0.000 0.266 353 H C 1.225 176.548 175.328 -0.008 0.000 1.200 353 H CA 1.083 57.058 56.048 -0.123 0.000 1.135 353 H CB -1.466 28.043 29.762 -0.421 0.000 1.282 353 H HN 0.514 nan 8.280 nan 0.000 0.351 354 R N -0.199 120.282 120.500 -0.032 0.000 2.175 354 R HA 0.130 4.471 4.340 0.002 0.000 0.202 354 R C -0.320 175.607 176.300 -0.622 0.000 1.018 354 R CA 0.520 56.260 56.100 -0.599 0.000 1.029 354 R CB 0.577 30.289 30.300 -0.981 0.000 0.959 354 R HN 0.213 nan 8.270 nan 0.000 0.480 355 Y N -0.189 120.062 120.300 -0.083 0.000 2.341 355 Y HA 0.287 4.838 4.550 0.002 0.000 0.337 355 Y C -0.740 175.126 175.900 -0.056 0.000 1.014 355 Y CA -1.319 56.716 58.100 -0.108 0.000 1.111 355 Y CB 1.273 39.682 38.460 -0.085 0.000 1.194 355 Y HN -0.086 nan 8.280 nan 0.000 0.462 356 F N 5.200 125.075 119.950 -0.125 0.000 2.405 356 F HA 0.602 5.130 4.527 0.002 0.000 0.355 356 F C -0.899 174.734 175.800 -0.278 0.000 1.121 356 F CA -1.661 56.244 58.000 -0.159 0.000 1.112 356 F CB 0.208 39.132 39.000 -0.126 0.000 1.126 356 F HN 0.333 nan 8.300 nan 0.000 0.481 357 I N 6.110 126.231 120.570 -0.747 0.000 2.382 357 I HA 0.300 4.472 4.170 0.002 0.000 0.285 357 I C -0.157 175.312 176.117 -1.080 0.000 1.007 357 I CA -0.386 60.316 61.300 -0.997 0.000 1.142 357 I CB 1.667 38.862 38.000 -1.343 0.000 1.289 357 I HN 0.575 nan 8.210 nan 0.000 0.453 358 T N 4.648 118.646 114.554 -0.926 0.000 2.900 358 T HA 0.730 5.081 4.350 0.002 0.000 0.295 358 T C -0.759 173.760 174.700 -0.301 0.000 1.044 358 T CA -0.514 61.200 62.100 -0.643 0.000 0.995 358 T CB 1.535 69.878 68.868 -0.875 0.000 1.072 358 T HN 0.592 nan 8.240 nan 0.000 0.473 359 A N 2.736 125.488 122.820 -0.113 0.000 2.302 359 A HA 0.693 5.014 4.320 0.002 0.000 0.295 359 A C 0.618 178.209 177.584 0.012 0.000 1.235 359 A CA -0.342 51.679 52.037 -0.027 0.000 0.876 359 A CB -0.084 18.926 19.000 0.016 0.000 1.133 359 A HN 1.153 nan 8.150 nan 0.000 0.533 360 A N 3.728 126.551 122.820 0.005 0.000 2.922 360 A HA 0.339 4.660 4.320 0.002 0.000 0.298 360 A C 1.165 178.818 177.584 0.115 0.000 1.588 360 A CA -0.237 51.843 52.037 0.072 0.000 1.288 360 A CB -0.761 18.258 19.000 0.031 0.000 1.130 360 A HN 0.998 nan 8.150 nan 0.000 0.557 361 N N 2.826 121.601 118.700 0.125 0.000 2.069 361 N HA -0.230 4.511 4.740 0.002 0.000 0.191 361 N C 1.416 176.963 175.510 0.061 0.000 1.031 361 N CA 2.137 55.235 53.050 0.079 0.000 0.852 361 N CB -0.579 37.940 38.487 0.054 0.000 1.018 361 N HN 0.491 nan 8.380 nan 0.000 0.423 362 A N -0.045 122.804 122.820 0.049 0.000 2.121 362 A HA 0.022 4.343 4.320 0.002 0.000 0.218 362 A C 1.962 179.557 177.584 0.017 0.000 1.154 362 A CA 0.808 52.803 52.037 -0.070 0.000 0.679 362 A CB -0.373 18.378 19.000 -0.415 0.000 0.795 362 A HN 0.379 nan 8.150 nan 0.000 0.458 363 R N -0.471 120.097 120.500 0.114 0.000 2.468 363 R HA 0.095 4.436 4.340 0.002 0.000 0.280 363 R C -0.540 175.807 176.300 0.079 0.000 0.963 363 R CA -0.166 56.002 56.100 0.113 0.000 1.083 363 R CB 0.157 30.560 30.300 0.171 0.000 1.200 363 R HN 0.411 nan 8.270 nan 0.000 0.541 364 N N 2.544 121.289 118.700 0.074 0.000 2.669 364 N HA -0.177 4.564 4.740 0.002 0.000 0.266 364 N C -1.037 174.513 175.510 0.067 0.000 1.024 364 N CA 1.347 54.446 53.050 0.081 0.000 0.766 364 N CB -0.474 38.055 38.487 0.070 0.000 0.898 364 N HN 0.176 nan 8.380 nan 0.000 0.548 365 K N 0.331 120.761 120.400 0.050 0.000 2.508 365 K HA 0.529 4.850 4.320 0.002 0.000 0.260 365 K C -0.062 176.530 176.600 -0.014 0.000 0.949 365 K CA -0.556 55.742 56.287 0.017 0.000 0.834 365 K CB 1.967 34.467 32.500 0.000 0.000 1.365 365 K HN 0.097 nan 8.250 nan 0.000 0.437 366 L N 1.948 123.145 121.223 -0.044 0.000 2.316 366 L HA 0.408 4.749 4.340 0.002 0.000 0.280 366 L C -0.366 176.387 176.870 -0.195 0.000 1.006 366 L CA -1.171 53.602 54.840 -0.111 0.000 0.836 366 L CB 1.760 43.773 42.059 -0.077 0.000 1.221 366 L HN 0.144 nan 8.230 nan 0.000 0.418 367 V N 4.401 124.157 119.914 -0.264 0.000 2.498 367 V HA 0.315 4.437 4.120 0.002 0.000 0.279 367 V C 0.178 176.012 176.094 -0.434 0.000 1.048 367 V CA -0.489 61.626 62.300 -0.309 0.000 0.967 367 V CB 1.902 33.553 31.823 -0.288 0.000 0.988 367 V HN 0.396 nan 8.190 nan 0.000 0.473 368 V N 6.075 125.718 119.914 -0.452 0.000 2.448 368 V HA 0.512 4.633 4.120 0.002 0.000 0.295 368 V C -0.324 175.497 176.094 -0.454 0.000 1.025 368 V CA -0.550 61.394 62.300 -0.592 0.000 0.859 368 V CB 1.682 32.923 31.823 -0.969 0.000 0.988 368 V HN 0.559 nan 8.190 nan 0.000 0.431 369 I N 3.213 123.600 120.570 -0.304 0.000 2.474 369 I HA 0.411 4.582 4.170 0.002 0.000 0.294 369 I C -0.223 175.834 176.117 -0.100 0.000 1.005 369 I CA -0.656 60.547 61.300 -0.161 0.000 1.113 369 I CB 1.889 39.873 38.000 -0.026 0.000 1.289 369 I HN 0.603 nan 8.210 nan 0.000 0.436 370 D N 3.791 124.130 120.400 -0.101 0.000 2.380 370 D HA 0.087 4.728 4.640 0.002 0.000 0.230 370 D C 1.294 177.440 176.300 -0.258 0.000 1.154 370 D CA -0.119 53.767 54.000 -0.190 0.000 0.859 370 D CB 1.076 41.829 40.800 -0.078 0.000 1.045 370 D HN 0.689 nan 8.370 nan 0.000 0.495 371 T N 1.150 115.505 114.554 -0.332 0.000 3.007 371 T HA -0.122 4.229 4.350 0.002 0.000 0.270 371 T C 1.557 176.106 174.700 -0.251 0.000 1.107 371 T CA 0.839 62.793 62.100 -0.244 0.000 1.118 371 T CB 0.070 68.830 68.868 -0.181 0.000 0.889 371 T HN 0.360 nan 8.240 nan 0.000 0.506 372 K N 0.537 120.702 120.400 -0.391 0.000 2.044 372 K HA -0.011 4.311 4.320 0.002 0.000 0.204 372 K C 2.049 178.569 176.600 -0.133 0.000 1.049 372 K CA 0.988 57.126 56.287 -0.248 0.000 0.945 372 K CB 0.143 32.428 32.500 -0.359 0.000 0.724 372 K HN 0.212 nan 8.250 nan 0.000 0.440 373 E N -0.551 119.559 120.200 -0.149 0.000 2.447 373 E HA 0.044 4.396 4.350 0.002 0.000 0.195 373 E C 0.576 177.125 176.600 -0.086 0.000 1.028 373 E CA 0.726 57.072 56.400 -0.089 0.000 0.876 373 E CB 0.734 30.395 29.700 -0.066 0.000 0.885 373 E HN 0.550 nan 8.360 nan 0.000 0.500 374 G N 2.719 111.455 108.800 -0.107 0.000 2.256 374 G HA2 -0.290 3.671 3.960 0.002 0.000 0.272 374 G HA3 -0.290 3.671 3.960 0.002 0.000 0.272 374 G C -0.016 174.834 174.900 -0.082 0.000 1.076 374 G CA 0.922 45.965 45.100 -0.096 0.000 0.882 374 G HN 0.323 nan 8.290 nan 0.000 0.497 375 K N -1.323 119.025 120.400 -0.087 0.000 2.536 375 K HA 0.762 5.084 4.320 0.002 0.000 0.269 375 K C -0.435 176.105 176.600 -0.101 0.000 0.965 375 K CA -1.478 54.761 56.287 -0.080 0.000 0.860 375 K CB 1.795 34.257 32.500 -0.064 0.000 1.423 375 K HN 0.518 nan 8.250 nan 0.000 0.438 376 L N 2.279 123.437 121.223 -0.108 0.000 2.453 376 L HA 0.074 4.415 4.340 0.002 0.000 0.272 376 L C 0.604 177.377 176.870 -0.162 0.000 1.182 376 L CA 0.358 55.109 54.840 -0.148 0.000 0.858 376 L CB 1.488 43.463 42.059 -0.140 0.000 1.120 376 L HN 0.706 nan 8.230 nan 0.000 0.474 377 V N 1.892 121.656 119.914 -0.251 0.000 3.307 377 V HA 0.788 4.910 4.120 0.002 0.000 0.244 377 V C 0.495 176.408 176.094 -0.302 0.000 1.196 377 V CA 0.575 62.703 62.300 -0.288 0.000 1.132 377 V CB -0.211 31.351 31.823 -0.435 0.000 0.875 377 V HN 1.045 nan 8.190 nan 0.000 0.468 378 A N -0.156 122.457 122.820 -0.344 0.000 2.608 378 A HA 0.827 5.149 4.320 0.002 0.000 0.292 378 A C -1.485 175.971 177.584 -0.213 0.000 1.066 378 A CA -0.489 51.405 52.037 -0.238 0.000 0.676 378 A CB 1.366 20.228 19.000 -0.229 0.000 1.277 378 A HN 0.375 nan 8.150 nan 0.000 0.413 379 I N 1.361 121.851 120.570 -0.133 0.000 2.500 379 I HA 0.475 4.646 4.170 0.002 0.000 0.286 379 I C -1.061 175.019 176.117 -0.061 0.000 1.063 379 I CA -0.415 60.817 61.300 -0.113 0.000 1.062 379 I CB 2.055 39.994 38.000 -0.102 0.000 1.223 379 I HN 0.529 nan 8.210 nan 0.000 0.435 380 E N 4.349 124.519 120.200 -0.050 0.000 2.292 380 E HA 0.267 4.618 4.350 0.002 0.000 0.272 380 E C -1.442 175.157 176.600 -0.001 0.000 0.881 380 E CA -0.666 55.723 56.400 -0.017 0.000 0.754 380 E CB 3.018 32.715 29.700 -0.005 0.000 1.201 380 E HN 0.478 nan 8.360 nan 0.000 0.425 381 D N 1.299 121.704 120.400 0.009 0.000 2.308 381 D HA 0.033 4.674 4.640 0.002 0.000 0.251 381 D C 1.000 177.321 176.300 0.034 0.000 1.127 381 D CA 0.131 54.146 54.000 0.025 0.000 0.876 381 D CB 1.205 42.017 40.800 0.019 0.000 1.176 381 D HN 0.439 nan 8.370 nan 0.000 0.446 382 T N 0.741 115.337 114.554 0.071 0.000 3.055 382 T HA 0.131 4.482 4.350 0.002 0.000 0.265 382 T C 1.503 176.224 174.700 0.034 0.000 1.111 382 T CA 0.795 62.954 62.100 0.100 0.000 1.118 382 T CB 0.035 69.067 68.868 0.273 0.000 0.909 382 T HN 0.665 nan 8.240 nan 0.000 0.501 383 G N 0.324 109.125 108.800 0.003 0.000 2.176 383 G HA2 -0.039 3.922 3.960 0.002 0.000 0.253 383 G HA3 -0.039 3.922 3.960 0.002 0.000 0.253 383 G C 0.374 175.198 174.900 -0.128 0.000 0.979 383 G CA -0.056 45.016 45.100 -0.047 0.000 0.641 383 G HN 1.089 nan 8.290 nan 0.000 0.530 384 G N -1.282 107.390 108.800 -0.212 0.000 2.667 384 G HA2 0.616 4.577 3.960 0.002 0.000 0.310 384 G HA3 0.616 4.577 3.960 0.002 0.000 0.310 384 G C -0.649 174.133 174.900 -0.198 0.000 1.259 384 G CA -0.441 44.351 45.100 -0.514 0.000 1.019 384 G HN 0.208 nan 8.290 nan 0.000 0.496 385 Q N 0.811 120.523 119.800 -0.146 0.000 2.372 385 Q HA 0.400 4.742 4.340 0.002 0.000 0.259 385 Q C -0.552 175.540 176.000 0.154 0.000 0.993 385 Q CA -0.213 55.604 55.803 0.022 0.000 0.854 385 Q CB 1.157 29.885 28.738 -0.017 0.000 1.231 385 Q HN 0.719 nan 8.270 nan 0.000 0.462 386 T N 2.255 116.904 114.554 0.158 0.000 3.460 386 T HA -0.084 4.267 4.350 0.002 0.000 0.416 386 T C -2.470 172.294 174.700 0.106 0.000 0.766 386 T CA -0.319 61.845 62.100 0.107 0.000 2.180 386 T CB -1.131 67.760 68.868 0.037 0.000 1.712 386 T HN 0.443 nan 8.240 nan 0.000 0.723 387 P HA 0.099 nan 4.420 nan 0.000 0.264 387 P C -0.236 176.979 177.300 -0.142 0.000 1.193 387 P CA 0.339 63.243 63.100 -0.326 0.000 0.763 387 P CB 0.476 32.008 31.700 -0.280 0.000 0.810 388 H N 5.976 124.874 119.070 -0.286 0.000 2.607 388 H HA 0.215 4.772 4.556 0.002 0.000 0.248 388 H C -2.083 173.097 175.328 -0.247 0.000 1.355 388 H CA -1.966 53.937 56.048 -0.243 0.000 1.524 388 H CB 1.542 31.086 29.762 -0.363 0.000 1.563 388 H HN 0.210 nan 8.280 nan 0.000 0.509 389 P HA 0.044 nan 4.420 nan 0.000 0.227 389 P C 1.084 178.326 177.300 -0.096 0.000 1.161 389 P CA 1.550 64.529 63.100 -0.202 0.000 0.788 389 P CB 1.081 32.763 31.700 -0.031 0.000 0.822 390 G N 1.637 110.339 108.800 -0.162 0.000 2.561 390 G HA2 -0.357 3.604 3.960 0.002 0.000 0.289 390 G HA3 -0.357 3.604 3.960 0.002 0.000 0.289 390 G C 0.987 175.958 174.900 0.119 0.000 1.169 390 G CA 0.508 45.723 45.100 0.191 0.000 0.980 390 G HN 0.289 nan 8.290 nan 0.000 0.550 391 R N 1.699 122.231 120.500 0.053 0.000 2.300 391 R HA 0.440 4.781 4.340 0.002 0.000 0.199 391 R C 1.479 177.820 176.300 0.068 0.000 0.920 391 R CA 1.132 57.152 56.100 -0.134 0.000 1.046 391 R CB -0.052 29.789 30.300 -0.765 0.000 0.984 391 R HN 2.021 nan 8.270 nan 0.000 0.493 392 G N 0.513 109.315 108.800 0.004 0.000 2.725 392 G HA2 -0.090 3.871 3.960 0.002 0.000 0.220 392 G HA3 -0.090 3.871 3.960 0.002 0.000 0.220 392 G C -1.000 173.792 174.900 -0.181 0.000 1.357 392 G CA -0.501 44.380 45.100 -0.364 0.000 0.866 392 G HN 0.375 nan 8.290 nan 0.000 0.548 393 A N 0.175 122.752 122.820 -0.405 0.000 2.385 393 A HA 0.722 5.043 4.320 0.002 0.000 0.290 393 A C -0.243 177.432 177.584 0.153 0.000 1.094 393 A CA -0.520 51.549 52.037 0.053 0.000 0.729 393 A CB 0.930 20.018 19.000 0.148 0.000 1.194 393 A HN 0.773 nan 8.150 nan 0.000 0.442 394 N N 2.003 120.878 118.700 0.293 0.000 2.455 394 N HA 0.743 5.485 4.740 0.002 0.000 0.280 394 N C -0.871 174.830 175.510 0.318 0.000 1.055 394 N CA 0.307 53.513 53.050 0.260 0.000 0.961 394 N CB 1.433 40.038 38.487 0.197 0.000 1.121 394 N HN 0.659 nan 8.380 nan 0.000 0.476 395 F N -1.961 118.048 119.950 0.098 0.000 2.745 395 F HA 0.535 5.064 4.527 0.003 0.000 0.316 395 F C -1.232 174.611 175.800 0.072 0.000 1.155 395 F CA -1.209 56.835 58.000 0.073 0.000 0.937 395 F CB 0.663 39.715 39.000 0.086 0.000 1.361 395 F HN -0.015 nan 8.300 nan 0.000 0.472 396 V N 2.435 122.510 119.914 0.268 0.000 2.304 396 V HA 0.208 4.329 4.120 0.002 0.000 0.269 396 V C -0.046 176.201 176.094 0.255 0.000 1.036 396 V CA -0.436 61.943 62.300 0.132 0.000 0.840 396 V CB 0.135 32.014 31.823 0.093 0.000 1.036 396 V HN 0.837 nan 8.190 nan 0.000 0.466 397 H N 7.853 126.960 119.070 0.061 0.000 2.803 397 H HA 0.145 4.702 4.556 0.003 0.000 0.330 397 H C -1.797 173.557 175.328 0.043 0.000 1.057 397 H CA -1.518 54.626 56.048 0.160 0.000 1.458 397 H CB 2.020 31.854 29.762 0.120 0.000 1.470 397 H HN 0.326 nan 8.280 nan 0.000 0.560 398 P HA -0.157 nan 4.420 nan 0.000 0.217 398 P C 1.294 178.607 177.300 0.022 0.000 1.148 398 P CA 2.377 65.445 63.100 -0.053 0.000 0.828 398 P CB 0.296 31.904 31.700 -0.152 0.000 0.783 399 T N -5.571 109.048 114.554 0.108 0.000 3.046 399 T HA 0.075 4.427 4.350 0.002 0.000 0.242 399 T C 1.433 176.122 174.700 -0.017 0.000 1.018 399 T CA 0.240 62.315 62.100 -0.042 0.000 1.131 399 T CB -0.917 67.787 68.868 -0.274 0.000 0.904 399 T HN -0.158 nan 8.240 nan 0.000 0.459 400 F N 2.730 122.743 119.950 0.104 0.000 2.512 400 F HA 0.496 5.025 4.527 0.002 0.000 0.296 400 F C 2.012 177.608 175.800 -0.341 0.000 1.110 400 F CA -0.039 57.857 58.000 -0.173 0.000 1.446 400 F CB -0.882 37.863 39.000 -0.425 0.000 1.092 400 F HN 0.648 nan 8.300 nan 0.000 0.554 401 G N -0.214 108.495 108.800 -0.153 0.000 2.568 401 G HA2 -0.194 3.767 3.960 0.002 0.000 0.222 401 G HA3 -0.194 3.767 3.960 0.002 0.000 0.222 401 G C -2.796 171.923 174.900 -0.302 0.000 1.321 401 G CA -1.217 43.590 45.100 -0.489 0.000 0.893 401 G HN -0.026 nan 8.290 nan 0.000 0.569 402 P HA 0.389 nan 4.420 nan 0.000 0.260 402 P C 0.201 177.348 177.300 -0.255 0.000 1.185 402 P CA 0.740 63.714 63.100 -0.210 0.000 0.763 402 P CB 0.774 32.389 31.700 -0.142 0.000 0.776 403 V N 1.376 121.120 119.914 -0.284 0.000 3.078 403 V HA 0.727 4.848 4.120 0.002 0.000 0.311 403 V C -1.567 174.439 176.094 -0.147 0.000 1.138 403 V CA -1.255 60.877 62.300 -0.281 0.000 1.007 403 V CB 2.385 33.969 31.823 -0.399 0.000 1.045 403 V HN 0.547 nan 8.190 nan 0.000 0.432 404 W N 2.451 123.636 121.300 -0.191 0.000 2.666 404 W HA 0.872 5.533 4.660 0.003 0.000 0.334 404 W C -0.357 176.156 176.519 -0.012 0.000 1.051 404 W CA -0.142 57.177 57.345 -0.043 0.000 1.224 404 W CB 1.909 31.390 29.460 0.034 0.000 1.405 404 W HN 1.050 nan 8.180 nan 0.000 0.513 405 A N 3.287 125.914 122.820 -0.320 0.000 2.380 405 A HA 0.778 5.100 4.320 0.002 0.000 0.315 405 A C -1.082 176.024 177.584 -0.797 0.000 1.101 405 A CA -0.579 51.270 52.037 -0.315 0.000 0.771 405 A CB 1.974 20.997 19.000 0.038 0.000 1.287 405 A HN 0.516 nan 8.150 nan 0.000 0.436 406 T N 0.073 114.328 114.554 -0.498 0.000 2.909 406 T HA 0.656 5.007 4.350 0.002 0.000 0.299 406 T C 0.060 174.589 174.700 -0.285 0.000 1.073 406 T CA 0.209 62.025 62.100 -0.474 0.000 0.999 406 T CB 1.095 69.710 68.868 -0.420 0.000 1.098 406 T HN 1.467 nan 8.240 nan 0.000 0.477 407 S N 2.730 118.291 115.700 -0.232 0.000 2.745 407 S HA 0.771 5.242 4.470 0.002 0.000 0.292 407 S C -0.876 173.571 174.600 -0.254 0.000 1.127 407 S CA -0.572 57.559 58.200 -0.114 0.000 1.007 407 S CB 0.750 63.937 63.200 -0.020 0.000 1.165 407 S HN 0.830 nan 8.310 nan 0.000 0.544 408 H N -0.934 118.101 119.070 -0.059 0.000 2.768 408 H HA 0.483 5.041 4.556 0.002 0.000 0.371 408 H C 0.425 175.715 175.328 -0.062 0.000 1.151 408 H CA -0.758 55.262 56.048 -0.047 0.000 1.165 408 H CB 1.456 31.191 29.762 -0.045 0.000 1.722 408 H HN 0.496 nan 8.280 nan 0.000 0.543 409 M N 0.703 120.322 119.600 0.033 0.000 2.334 409 M HA 0.053 4.534 4.480 0.002 0.000 0.266 409 M C 1.941 178.241 176.300 -0.000 0.000 1.082 409 M CA 1.498 56.775 55.300 -0.039 0.000 1.141 409 M CB 0.149 32.687 32.600 -0.104 0.000 1.380 409 M HN 0.851 nan 8.290 nan 0.000 0.440 410 G N 0.495 109.316 108.800 0.035 0.000 2.712 410 G HA2 -0.011 3.950 3.960 0.002 0.000 0.212 410 G HA3 -0.011 3.950 3.960 0.002 0.000 0.212 410 G C -0.104 174.794 174.900 -0.004 0.000 1.142 410 G CA 0.397 45.503 45.100 0.010 0.000 0.789 410 G HN 0.549 nan 8.290 nan 0.000 0.535 411 D N -1.773 118.627 120.400 0.001 0.000 2.759 411 D HA 0.213 4.854 4.640 0.002 0.000 0.321 411 D C -0.299 175.996 176.300 -0.008 0.000 1.267 411 D CA -0.462 53.521 54.000 -0.028 0.000 0.933 411 D CB 0.173 40.926 40.800 -0.079 0.000 1.431 411 D HN -0.046 nan 8.370 nan 0.000 0.504 412 D N -1.071 119.323 120.400 -0.011 0.000 2.319 412 D HA 0.099 4.740 4.640 0.002 0.000 0.230 412 D C 0.020 176.330 176.300 0.016 0.000 1.094 412 D CA -0.205 53.803 54.000 0.014 0.000 0.856 412 D CB -0.458 40.365 40.800 0.038 0.000 0.915 412 D HN 0.382 nan 8.370 nan 0.000 0.517 413 S N -0.598 115.077 115.700 -0.041 0.000 2.586 413 S HA 0.524 4.995 4.470 0.002 0.000 0.274 413 S C -0.106 174.489 174.600 -0.007 0.000 1.281 413 S CA -0.822 57.325 58.200 -0.088 0.000 1.035 413 S CB 1.821 64.880 63.200 -0.235 0.000 0.962 413 S HN -0.024 nan 8.310 nan 0.000 0.512 414 V N 2.051 121.822 119.914 -0.238 0.000 2.448 414 V HA 0.764 4.886 4.120 0.002 0.000 0.295 414 V C 0.281 176.081 176.094 -0.490 0.000 1.025 414 V CA -0.508 61.562 62.300 -0.384 0.000 0.859 414 V CB 0.986 32.377 31.823 -0.720 0.000 0.988 414 V HN 1.208 nan 8.190 nan 0.000 0.431 415 A N 6.044 128.748 122.820 -0.193 0.000 2.350 415 A HA 0.935 5.257 4.320 0.002 0.000 0.324 415 A C -0.959 176.576 177.584 -0.081 0.000 1.118 415 A CA -0.601 51.367 52.037 -0.115 0.000 0.783 415 A CB 1.087 20.131 19.000 0.072 0.000 1.236 415 A HN 0.786 nan 8.150 nan 0.000 0.457 416 L N 2.649 123.839 121.223 -0.055 0.000 2.341 416 L HA 0.609 4.950 4.340 0.002 0.000 0.278 416 L C -0.530 176.313 176.870 -0.046 0.000 1.005 416 L CA -0.387 54.442 54.840 -0.018 0.000 0.818 416 L CB 1.673 43.734 42.059 0.003 0.000 1.259 416 L HN 0.720 nan 8.230 nan 0.000 0.418 417 I N 1.129 121.715 120.570 0.028 0.000 2.474 417 I HA 0.554 4.725 4.170 0.002 0.000 0.294 417 I C 0.497 176.544 176.117 -0.117 0.000 1.005 417 I CA -0.396 60.897 61.300 -0.012 0.000 1.113 417 I CB 1.904 39.976 38.000 0.120 0.000 1.289 417 I HN 0.659 nan 8.210 nan 0.000 0.436 418 G N 3.122 111.768 108.800 -0.257 0.000 2.378 418 G HA2 0.309 4.270 3.960 0.002 0.000 0.255 418 G HA3 0.309 4.270 3.960 0.002 0.000 0.255 418 G C 0.450 174.974 174.900 -0.627 0.000 1.270 418 G CA 0.135 44.998 45.100 -0.396 0.000 0.876 418 G HN 0.739 nan 8.290 nan 0.000 0.521 419 T N -1.158 113.043 114.554 -0.587 0.000 3.252 419 T HA 0.237 4.588 4.350 0.002 0.000 0.286 419 T C -0.135 174.165 174.700 -0.667 0.000 1.013 419 T CA -0.384 61.249 62.100 -0.778 0.000 0.914 419 T CB 0.543 69.287 68.868 -0.207 0.000 1.131 419 T HN 0.372 nan 8.240 nan 0.000 0.529 420 D N 1.709 121.747 120.400 -0.603 0.000 2.400 420 D HA 0.374 5.015 4.640 0.002 0.000 0.272 420 D C -1.950 174.181 176.300 -0.281 0.000 1.220 420 D CA -2.381 51.444 54.000 -0.293 0.000 0.897 420 D CB 1.853 42.611 40.800 -0.070 0.000 1.134 420 D HN -0.037 nan 8.370 nan 0.000 0.507 421 P HA -0.102 nan 4.420 nan 0.000 0.218 421 P C 1.092 178.347 177.300 -0.075 0.000 1.149 421 P CA 0.884 63.857 63.100 -0.212 0.000 0.817 421 P CB 0.607 32.250 31.700 -0.095 0.000 0.785 422 E N -0.434 119.754 120.200 -0.021 0.000 2.028 422 E HA -0.027 4.324 4.350 0.002 0.000 0.190 422 E C 2.292 178.873 176.600 -0.031 0.000 0.984 422 E CA 1.657 58.057 56.400 -0.000 0.000 0.800 422 E CB -1.184 28.538 29.700 0.036 0.000 0.758 422 E HN 0.269 nan 8.360 nan 0.000 0.448 423 G N -0.210 108.576 108.800 -0.024 0.000 2.539 423 G HA2 -0.095 3.866 3.960 0.002 0.000 0.215 423 G HA3 -0.095 3.866 3.960 0.002 0.000 0.215 423 G C 0.266 174.981 174.900 -0.309 0.000 1.141 423 G CA 0.127 45.163 45.100 -0.106 0.000 0.806 423 G HN 0.214 nan 8.290 nan 0.000 0.533 424 H N -0.117 118.895 119.070 -0.095 0.000 2.511 424 H HA 0.251 4.809 4.556 0.002 0.000 0.228 424 H C -1.627 173.610 175.328 -0.153 0.000 1.424 424 H CA -1.292 54.693 56.048 -0.105 0.000 1.321 424 H CB 1.731 31.427 29.762 -0.110 0.000 1.720 424 H HN 0.107 nan 8.280 nan 0.000 0.512 425 P HA -0.172 nan 4.420 nan 0.000 0.216 425 P C 0.628 177.872 177.300 -0.093 0.000 1.150 425 P CA 1.204 64.249 63.100 -0.093 0.000 0.837 425 P CB 0.654 32.316 31.700 -0.062 0.000 0.786 426 D N -0.751 119.613 120.400 -0.059 0.000 2.264 426 D HA -0.074 4.567 4.640 0.002 0.000 0.208 426 D C 1.393 177.643 176.300 -0.084 0.000 0.966 426 D CA 0.785 54.753 54.000 -0.053 0.000 0.864 426 D CB -0.472 40.315 40.800 -0.023 0.000 0.933 426 D HN 0.171 nan 8.370 nan 0.000 0.499 427 N N 0.048 118.683 118.700 -0.108 0.000 2.282 427 N HA 0.114 4.855 4.740 0.002 0.000 0.185 427 N C 0.189 175.516 175.510 -0.306 0.000 1.099 427 N CA -0.019 52.919 53.050 -0.186 0.000 0.878 427 N CB 0.303 38.696 38.487 -0.158 0.000 0.993 427 N HN -0.015 nan 8.380 nan 0.000 0.481 428 A N 0.282 122.871 122.820 -0.386 0.000 2.524 428 A HA 0.164 4.486 4.320 0.002 0.000 0.250 428 A C -0.099 177.117 177.584 -0.614 0.000 1.078 428 A CA -0.148 51.427 52.037 -0.771 0.000 0.761 428 A CB -0.688 17.759 19.000 -0.922 0.000 1.012 428 A HN 0.508 nan 8.150 nan 0.000 0.500 429 W N 0.354 121.536 121.300 -0.196 0.000 4.551 429 W HA -0.225 4.436 4.660 0.002 0.000 0.343 429 W C 0.303 176.732 176.519 -0.150 0.000 1.269 429 W CA 0.809 58.042 57.345 -0.188 0.000 0.799 429 W CB -1.599 27.743 29.460 -0.197 0.000 2.352 429 W HN 0.667 nan 8.180 nan 0.000 1.462 430 K N 0.633 121.001 120.400 -0.052 0.000 2.203 430 K HA 0.471 4.793 4.320 0.002 0.000 0.251 430 K C 0.326 176.856 176.600 -0.117 0.000 0.944 430 K CA -1.303 54.938 56.287 -0.076 0.000 0.829 430 K CB 1.707 34.134 32.500 -0.122 0.000 1.125 430 K HN -0.236 nan 8.250 nan 0.000 0.430 431 I N 4.633 125.150 120.570 -0.089 0.000 2.421 431 I HA -0.024 4.148 4.170 0.002 0.000 0.291 431 I C 1.137 177.139 176.117 -0.191 0.000 1.089 431 I CA 0.448 61.687 61.300 -0.103 0.000 1.354 431 I CB -0.127 37.844 38.000 -0.048 0.000 1.413 431 I HN 0.621 nan 8.210 nan 0.000 0.513 432 L N 3.976 125.006 121.223 -0.322 0.000 2.416 432 L HA 0.199 4.540 4.340 0.002 0.000 0.216 432 L C 0.396 177.023 176.870 -0.404 0.000 1.098 432 L CA 0.647 55.120 54.840 -0.611 0.000 0.840 432 L CB 0.013 41.314 42.059 -1.263 0.000 0.981 432 L HN 0.575 nan 8.230 nan 0.000 0.462 433 D N -1.711 118.594 120.400 -0.158 0.000 2.648 433 D HA 0.346 4.987 4.640 0.002 0.000 0.244 433 D C -1.555 174.763 176.300 0.030 0.000 1.244 433 D CA -0.170 53.875 54.000 0.076 0.000 0.772 433 D CB 2.232 43.238 40.800 0.343 0.000 1.379 433 D HN -0.255 nan 8.370 nan 0.000 0.428 434 S N 1.168 116.911 115.700 0.072 0.000 2.649 434 S HA 0.749 5.221 4.470 0.002 0.000 0.274 434 S C -1.734 172.905 174.600 0.065 0.000 1.176 434 S CA -0.678 57.472 58.200 -0.082 0.000 0.988 434 S CB -0.028 63.140 63.200 -0.055 0.000 1.071 434 S HN 0.347 nan 8.310 nan 0.000 0.478 435 F N 2.258 122.224 119.950 0.027 0.000 2.645 435 F HA 0.839 5.368 4.527 0.002 0.000 0.310 435 F C -3.038 172.812 175.800 0.083 0.000 1.102 435 F CA -2.325 55.711 58.000 0.059 0.000 0.952 435 F CB 0.749 39.789 39.000 0.066 0.000 1.326 435 F HN 0.267 nan 8.300 nan 0.000 0.456 436 P HA 0.485 nan 4.420 nan 0.000 0.278 436 P C -0.911 176.672 177.300 0.470 0.000 1.238 436 P CA 0.069 63.358 63.100 0.315 0.000 0.794 436 P CB 1.817 33.680 31.700 0.272 0.000 0.955 437 A N 2.699 125.650 122.820 0.218 0.000 3.944 437 A HA 0.422 4.743 4.320 0.002 0.000 0.151 437 A C 1.635 179.035 177.584 -0.307 0.000 1.301 437 A CA -0.469 51.488 52.037 -0.134 0.000 1.020 437 A CB -0.624 18.375 19.000 -0.002 0.000 1.627 437 A HN 0.457 nan 8.150 nan 0.000 0.661 438 L N -0.629 120.366 121.223 -0.379 0.000 2.056 438 L HA 0.215 4.556 4.340 0.002 0.000 0.207 438 L C 1.273 178.138 176.870 -0.009 0.000 1.078 438 L CA 1.400 56.154 54.840 -0.144 0.000 0.749 438 L CB -0.275 41.699 42.059 -0.142 0.000 0.901 438 L HN 0.918 nan 8.230 nan 0.000 0.433 439 G N -2.382 106.407 108.800 -0.018 0.000 2.322 439 G HA2 0.364 4.325 3.960 0.002 0.000 0.295 439 G HA3 0.364 4.325 3.960 0.002 0.000 0.295 439 G C -0.777 174.121 174.900 -0.002 0.000 1.369 439 G CA -0.380 44.722 45.100 0.004 0.000 0.821 439 G HN 0.163 nan 8.290 nan 0.000 0.536 440 G N -1.732 107.068 108.800 -0.001 0.000 2.684 440 G HA2 0.549 4.510 3.960 0.002 0.000 0.255 440 G HA3 0.549 4.510 3.960 0.002 0.000 0.255 440 G C 1.307 176.199 174.900 -0.013 0.000 1.219 440 G CA 1.154 46.252 45.100 -0.004 0.000 0.901 440 G HN 2.362 nan 8.290 nan 0.000 0.548 441 G N -1.634 107.153 108.800 -0.021 0.000 2.137 441 G HA2 -0.158 3.803 3.960 0.002 0.000 0.237 441 G HA3 -0.158 3.803 3.960 0.002 0.000 0.237 441 G C 0.585 175.453 174.900 -0.053 0.000 1.002 441 G CA 0.743 45.821 45.100 -0.037 0.000 0.702 441 G HN 1.362 nan 8.290 nan 0.000 0.515 442 S N -0.964 114.706 115.700 -0.050 0.000 2.576 442 S HA 0.652 5.124 4.470 0.002 0.000 0.276 442 S C 1.547 176.044 174.600 -0.171 0.000 1.339 442 S CA -0.005 58.161 58.200 -0.056 0.000 1.039 442 S CB 0.897 64.088 63.200 -0.015 0.000 0.902 442 S HN 0.411 nan 8.310 nan 0.000 0.516 443 L N 2.468 123.563 121.223 -0.212 0.000 2.624 443 L HA 0.450 4.792 4.340 0.002 0.000 0.222 443 L C -0.797 175.680 176.870 -0.654 0.000 1.046 443 L CA 0.158 54.644 54.840 -0.592 0.000 0.872 443 L CB 0.264 41.900 42.059 -0.704 0.000 1.190 443 L HN 0.525 nan 8.230 nan 0.000 0.487 444 F N -0.067 119.963 119.950 0.133 0.000 2.561 444 F HA 0.492 5.021 4.527 0.003 0.000 0.313 444 F C -0.392 175.489 175.800 0.135 0.000 1.126 444 F CA -0.670 57.412 58.000 0.137 0.000 0.918 444 F CB 2.154 41.240 39.000 0.142 0.000 1.199 444 F HN -0.281 nan 8.300 nan 0.000 0.444 445 I N 3.063 123.796 120.570 0.272 0.000 2.493 445 I HA 0.658 4.829 4.170 0.002 0.000 0.298 445 I C -1.188 175.092 176.117 0.272 0.000 0.998 445 I CA -0.639 60.797 61.300 0.228 0.000 1.137 445 I CB 1.575 39.621 38.000 0.077 0.000 1.310 445 I HN 0.602 nan 8.210 nan 0.000 0.445 446 K N 3.655 124.276 120.400 0.369 0.000 2.542 446 K HA 0.647 4.968 4.320 0.002 0.000 0.259 446 K C -1.173 175.774 176.600 0.578 0.000 0.932 446 K CA -0.429 56.116 56.287 0.430 0.000 0.820 446 K CB 2.136 34.868 32.500 0.387 0.000 1.345 446 K HN 0.650 nan 8.250 nan 0.000 0.432 447 T N 0.616 115.471 114.554 0.502 0.000 2.731 447 T HA 0.465 4.816 4.350 0.002 0.000 0.300 447 T C -2.191 172.488 174.700 -0.036 0.000 1.283 447 T CA -0.478 61.854 62.100 0.387 0.000 1.005 447 T CB 0.761 69.787 68.868 0.264 0.000 1.420 447 T HN 0.579 nan 8.240 nan 0.000 0.503 448 H N 0.137 118.967 119.070 -0.400 0.000 3.046 448 H HA 0.359 4.918 4.556 0.005 0.000 0.361 448 H C -2.411 172.805 175.328 -0.187 0.000 1.235 448 H CA -1.486 54.269 56.048 -0.490 0.000 1.146 448 H CB 2.426 31.477 29.762 -1.183 0.000 1.859 448 H HN 0.316 nan 8.280 nan 0.000 0.548 449 P HA -0.116 nan 4.420 nan 0.000 0.217 449 P C 0.718 178.068 177.300 0.083 0.000 1.148 449 P CA 1.207 64.233 63.100 -0.123 0.000 0.828 449 P CB 0.405 31.984 31.700 -0.200 0.000 0.783 450 N N -1.617 117.284 118.700 0.335 0.000 2.398 450 N HA 0.015 4.756 4.740 0.002 0.000 0.188 450 N C 0.491 176.101 175.510 0.167 0.000 1.122 450 N CA 0.464 53.654 53.050 0.233 0.000 0.866 450 N CB -0.088 38.533 38.487 0.224 0.000 0.970 450 N HN 0.079 nan 8.380 nan 0.000 0.462 451 S N 0.343 116.139 115.700 0.160 0.000 2.565 451 S HA 0.181 4.653 4.470 0.002 0.000 0.290 451 S C 0.842 175.463 174.600 0.035 0.000 1.150 451 S CA -0.660 57.646 58.200 0.177 0.000 1.058 451 S CB 1.325 64.738 63.200 0.356 0.000 1.032 451 S HN 0.299 nan 8.310 nan 0.000 0.510 452 Q N 2.059 121.764 119.800 -0.157 0.000 2.280 452 Q HA 0.219 4.560 4.340 0.002 0.000 0.201 452 Q C -1.103 174.596 176.000 -0.501 0.000 0.890 452 Q CA -0.040 55.541 55.803 -0.369 0.000 0.947 452 Q CB -0.021 28.418 28.738 -0.498 0.000 1.081 452 Q HN 0.643 nan 8.270 nan 0.000 0.502 453 Y N 0.454 120.801 120.300 0.077 0.000 2.468 453 Y HA 0.530 5.080 4.550 -0.001 0.000 0.342 453 Y C -0.849 175.060 175.900 0.014 0.000 1.021 453 Y CA -1.748 56.341 58.100 -0.020 0.000 1.079 453 Y CB 1.829 40.205 38.460 -0.140 0.000 1.226 453 Y HN 0.056 nan 8.280 nan 0.000 0.460 454 L N 3.528 124.821 121.223 0.117 0.000 2.316 454 L HA 0.527 4.869 4.340 0.002 0.000 0.280 454 L C -1.861 175.141 176.870 0.220 0.000 1.006 454 L CA -0.818 54.132 54.840 0.182 0.000 0.836 454 L CB 0.166 42.258 42.059 0.056 0.000 1.221 454 L HN 0.452 nan 8.230 nan 0.000 0.418 455 Y N 4.073 124.585 120.300 0.353 0.000 2.323 455 Y HA 0.666 5.216 4.550 0.001 0.000 0.331 455 Y C -0.118 175.957 175.900 0.292 0.000 1.092 455 Y CA -0.710 57.587 58.100 0.327 0.000 1.150 455 Y CB 1.761 40.483 38.460 0.437 0.000 1.200 455 Y HN 0.266 nan 8.280 nan 0.000 0.472 456 V N 3.640 123.751 119.914 0.329 0.000 2.569 456 V HA 0.250 4.372 4.120 0.002 0.000 0.301 456 V C -0.733 175.441 176.094 0.132 0.000 1.044 456 V CA -1.096 61.343 62.300 0.232 0.000 0.874 456 V CB 1.474 33.418 31.823 0.202 0.000 1.002 456 V HN 0.814 nan 8.190 nan 0.000 0.424 457 D N 3.903 124.406 120.400 0.171 0.000 2.423 457 D HA 0.686 5.327 4.640 0.002 0.000 0.255 457 D C 0.256 176.582 176.300 0.044 0.000 1.174 457 D CA -0.475 53.589 54.000 0.105 0.000 1.008 457 D CB 1.831 42.757 40.800 0.211 0.000 1.101 457 D HN 0.700 nan 8.370 nan 0.000 0.516 458 A N -0.239 122.593 122.820 0.020 0.000 2.897 458 A HA 0.308 4.629 4.320 0.002 0.000 0.230 458 A C 1.077 178.668 177.584 0.011 0.000 0.896 458 A CA -0.441 51.595 52.037 -0.003 0.000 1.114 458 A CB -0.571 18.410 19.000 -0.032 0.000 1.230 458 A HN 0.475 nan 8.150 nan 0.000 0.481 459 T N 0.762 115.347 114.554 0.052 0.000 2.653 459 T HA -0.201 4.150 4.350 0.002 0.000 0.268 459 T C 1.465 176.195 174.700 0.050 0.000 1.035 459 T CA 2.003 64.159 62.100 0.093 0.000 1.154 459 T CB -0.308 68.675 68.868 0.191 0.000 0.862 459 T HN 0.485 nan 8.240 nan 0.000 0.441 460 L N 0.680 121.917 121.223 0.023 0.000 2.592 460 L HA 0.201 4.542 4.340 0.002 0.000 0.227 460 L C 1.085 177.946 176.870 -0.014 0.000 1.127 460 L CA -0.356 54.487 54.840 0.005 0.000 0.884 460 L CB -0.461 41.602 42.059 0.007 0.000 1.065 460 L HN 0.231 nan 8.230 nan 0.000 0.457 461 N N 2.303 120.993 118.700 -0.016 0.000 2.412 461 N HA -0.010 4.731 4.740 0.002 0.000 0.254 461 N C -1.508 173.986 175.510 -0.027 0.000 1.232 461 N CA -0.771 52.267 53.050 -0.021 0.000 0.880 461 N CB 1.475 39.949 38.487 -0.021 0.000 1.076 461 N HN -0.047 nan 8.380 nan 0.000 0.458 462 P HA -0.052 nan 4.420 nan 0.000 0.229 462 P C -0.086 177.195 177.300 -0.032 0.000 1.160 462 P CA 0.860 63.942 63.100 -0.030 0.000 0.777 462 P CB 0.279 31.964 31.700 -0.026 0.000 0.814 463 E N -0.001 120.182 120.200 -0.029 0.000 2.105 463 E HA 0.354 4.706 4.350 0.002 0.000 0.285 463 E C 1.189 177.767 176.600 -0.037 0.000 1.055 463 E CA -0.385 55.998 56.400 -0.030 0.000 0.843 463 E CB 0.779 30.465 29.700 -0.024 0.000 1.067 463 E HN -0.074 nan 8.360 nan 0.000 0.398 464 A N 5.154 127.950 122.820 -0.041 0.000 1.903 464 A HA -0.281 4.040 4.320 0.002 0.000 0.219 464 A C 1.743 179.296 177.584 -0.052 0.000 1.191 464 A CA 1.910 53.919 52.037 -0.047 0.000 0.638 464 A CB -0.405 18.567 19.000 -0.046 0.000 0.823 464 A HN 0.852 nan 8.150 nan 0.000 0.451 465 E N -0.690 119.479 120.200 -0.051 0.000 2.153 465 E HA -0.141 4.210 4.350 0.002 0.000 0.194 465 E C 1.910 178.470 176.600 -0.067 0.000 0.988 465 E CA 1.158 57.521 56.400 -0.062 0.000 0.811 465 E CB -0.258 29.409 29.700 -0.054 0.000 0.746 465 E HN 0.745 nan 8.360 nan 0.000 0.466 466 I N 1.016 121.555 120.570 -0.051 0.000 2.286 466 I HA -0.218 3.954 4.170 0.002 0.000 0.245 466 I C 2.632 178.714 176.117 -0.058 0.000 1.104 466 I CA 1.090 62.360 61.300 -0.050 0.000 1.397 466 I CB -0.271 37.711 38.000 -0.030 0.000 1.072 466 I HN 0.099 nan 8.210 nan 0.000 0.417 467 S N 0.632 116.303 115.700 -0.048 0.000 2.447 467 S HA -0.062 4.409 4.470 0.002 0.000 0.233 467 S C 1.834 176.407 174.600 -0.046 0.000 1.006 467 S CA 0.960 59.138 58.200 -0.037 0.000 0.957 467 S CB -0.708 62.473 63.200 -0.032 0.000 0.773 467 S HN 0.471 nan 8.310 nan 0.000 0.507 468 G N 0.146 108.903 108.800 -0.071 0.000 3.284 468 G HA2 0.499 4.461 3.960 0.002 0.000 0.236 468 G HA3 0.499 4.461 3.960 0.002 0.000 0.236 468 G C -0.019 174.785 174.900 -0.159 0.000 1.158 468 G CA -0.268 44.776 45.100 -0.093 0.000 0.774 468 G HN 0.477 nan 8.290 nan 0.000 0.545 469 S N -1.503 114.095 115.700 -0.170 0.000 2.667 469 S HA 0.742 5.214 4.470 0.002 0.000 0.292 469 S C -1.063 173.389 174.600 -0.246 0.000 1.126 469 S CA -0.545 57.510 58.200 -0.242 0.000 0.881 469 S CB 2.617 65.695 63.200 -0.204 0.000 1.132 469 S HN -0.035 nan 8.310 nan 0.000 0.492 470 V N 1.011 120.742 119.914 -0.305 0.000 2.709 470 V HA 0.762 4.884 4.120 0.002 0.000 0.308 470 V C -0.267 175.700 176.094 -0.213 0.000 1.062 470 V CA -0.833 61.305 62.300 -0.270 0.000 0.901 470 V CB 1.735 33.284 31.823 -0.456 0.000 1.003 470 V HN 1.051 nan 8.190 nan 0.000 0.425 471 A N 3.923 126.608 122.820 -0.224 0.000 2.331 471 A HA 0.793 5.115 4.320 0.002 0.000 0.283 471 A C -0.638 176.771 177.584 -0.290 0.000 1.142 471 A CA -0.356 51.453 52.037 -0.380 0.000 0.812 471 A CB 0.876 19.356 19.000 -0.867 0.000 1.074 471 A HN 0.822 nan 8.150 nan 0.000 0.497 472 V N 2.951 122.667 119.914 -0.331 0.000 2.443 472 V HA 0.400 4.521 4.120 0.002 0.000 0.293 472 V C -1.035 174.888 176.094 -0.285 0.000 1.021 472 V CA -0.276 61.822 62.300 -0.336 0.000 0.848 472 V CB 0.758 32.296 31.823 -0.475 0.000 0.998 472 V HN 0.718 nan 8.190 nan 0.000 0.424 473 F N 1.918 121.878 119.950 0.017 0.000 2.399 473 F HA 0.462 4.990 4.527 0.002 0.000 0.334 473 F C 0.606 176.474 175.800 0.114 0.000 1.097 473 F CA -0.562 57.485 58.000 0.077 0.000 1.076 473 F CB 1.077 40.116 39.000 0.064 0.000 1.162 473 F HN 0.414 nan 8.300 nan 0.000 0.495 474 D N 3.167 123.735 120.400 0.280 0.000 2.393 474 D HA 0.207 4.848 4.640 0.002 0.000 0.232 474 D C 1.147 177.440 176.300 -0.011 0.000 1.192 474 D CA 0.154 54.251 54.000 0.161 0.000 0.882 474 D CB 0.473 41.367 40.800 0.156 0.000 1.038 474 D HN 0.493 nan 8.370 nan 0.000 0.499 475 I N 3.154 123.647 120.570 -0.128 0.000 2.264 475 I HA -0.293 3.878 4.170 0.002 0.000 0.248 475 I C 2.264 178.286 176.117 -0.159 0.000 1.111 475 I CA 0.995 62.173 61.300 -0.204 0.000 1.382 475 I CB -0.003 37.807 38.000 -0.316 0.000 1.060 475 I HN 0.339 nan 8.210 nan 0.000 0.418 476 K N 0.705 121.018 120.400 -0.144 0.000 2.147 476 K HA -0.120 4.201 4.320 0.002 0.000 0.205 476 K C 2.044 178.584 176.600 -0.101 0.000 1.049 476 K CA 1.428 57.647 56.287 -0.113 0.000 0.936 476 K CB -0.181 32.257 32.500 -0.104 0.000 0.722 476 K HN 0.349 nan 8.250 nan 0.000 0.446 477 A N 0.768 123.536 122.820 -0.085 0.000 2.169 477 A HA 0.077 4.398 4.320 0.002 0.000 0.212 477 A C 0.876 178.401 177.584 -0.099 0.000 1.153 477 A CA 0.071 52.068 52.037 -0.068 0.000 0.756 477 A CB -0.197 18.787 19.000 -0.028 0.000 0.813 477 A HN 0.149 nan 8.150 nan 0.000 0.471 478 M N 0.823 120.326 119.600 -0.160 0.000 2.238 478 M HA 0.089 4.571 4.480 0.002 0.000 0.350 478 M C 1.370 177.529 176.300 -0.235 0.000 1.321 478 M CA 0.705 55.875 55.300 -0.218 0.000 1.097 478 M CB 0.802 33.195 32.600 -0.345 0.000 1.713 478 M HN 0.431 nan 8.290 nan 0.000 0.455 479 T N -2.325 112.164 114.554 -0.109 0.000 2.955 479 T HA 0.277 4.628 4.350 0.002 0.000 0.251 479 T C 1.250 175.910 174.700 -0.067 0.000 1.002 479 T CA 0.381 62.432 62.100 -0.082 0.000 0.970 479 T CB 0.249 69.085 68.868 -0.053 0.000 1.091 479 T HN 0.977 nan 8.240 nan 0.000 0.495 480 G N 3.319 112.132 108.800 0.021 0.000 2.221 480 G HA2 -0.250 3.712 3.960 0.002 0.000 0.265 480 G HA3 -0.250 3.712 3.960 0.002 0.000 0.265 480 G C 0.295 175.227 174.900 0.053 0.000 1.041 480 G CA 0.478 45.563 45.100 -0.025 0.000 0.807 480 G HN 0.776 nan 8.290 nan 0.000 0.502 481 D N -0.951 119.479 120.400 0.050 0.000 2.340 481 D HA 0.361 5.002 4.640 0.002 0.000 0.220 481 D C 1.837 178.187 176.300 0.084 0.000 1.039 481 D CA 0.713 54.745 54.000 0.055 0.000 0.866 481 D CB -0.393 40.421 40.800 0.024 0.000 0.913 481 D HN 1.546 nan 8.370 nan 0.000 0.523 482 G N 0.015 108.887 108.800 0.120 0.000 2.213 482 G HA2 -0.274 3.687 3.960 0.002 0.000 0.226 482 G HA3 -0.274 3.687 3.960 0.002 0.000 0.226 482 G C 0.487 175.449 174.900 0.103 0.000 0.992 482 G CA 0.313 45.485 45.100 0.119 0.000 0.632 482 G HN 0.813 nan 8.290 nan 0.000 0.511 483 S N 0.266 116.013 115.700 0.077 0.000 2.624 483 S HA 0.553 5.025 4.470 0.002 0.000 0.263 483 S C -0.457 174.186 174.600 0.072 0.000 1.287 483 S CA -0.127 58.111 58.200 0.063 0.000 0.990 483 S CB 1.503 64.724 63.200 0.035 0.000 0.950 483 S HN 0.126 nan 8.310 nan 0.000 0.561 484 D N 2.611 123.058 120.400 0.078 0.000 2.347 484 D HA 0.414 5.055 4.640 0.002 0.000 0.235 484 D C -2.282 174.042 176.300 0.040 0.000 1.149 484 D CA -1.267 52.796 54.000 0.106 0.000 0.850 484 D CB 0.654 41.558 40.800 0.173 0.000 1.061 484 D HN 0.370 nan 8.370 nan 0.000 0.487 485 P HA 0.003 nan 4.420 nan 0.000 0.264 485 P C 0.209 177.613 177.300 0.173 0.000 1.183 485 P CA -0.050 63.015 63.100 -0.059 0.000 0.763 485 P CB 0.527 32.028 31.700 -0.332 0.000 0.807 486 E N 2.915 123.163 120.200 0.081 0.000 2.374 486 E HA 0.434 4.785 4.350 0.002 0.000 0.260 486 E C -0.656 175.939 176.600 -0.009 0.000 1.101 486 E CA -0.569 55.814 56.400 -0.027 0.000 0.907 486 E CB 0.371 30.000 29.700 -0.118 0.000 1.014 486 E HN 0.390 nan 8.360 nan 0.000 0.427 487 F N -1.352 118.453 119.950 -0.241 0.000 2.603 487 F HA 0.567 5.095 4.527 0.001 0.000 0.317 487 F C -0.608 175.005 175.800 -0.311 0.000 1.066 487 F CA -1.578 56.124 58.000 -0.496 0.000 0.941 487 F CB 1.419 39.753 39.000 -1.110 0.000 1.291 487 F HN 0.354 nan 8.300 nan 0.000 0.472 488 K N 0.777 121.121 120.400 -0.092 0.000 2.143 488 K HA 0.525 4.846 4.320 0.002 0.000 0.272 488 K C -1.033 175.562 176.600 -0.008 0.000 1.001 488 K CA -0.436 55.791 56.287 -0.099 0.000 0.915 488 K CB 1.364 33.786 32.500 -0.129 0.000 1.047 488 K HN 0.882 nan 8.250 nan 0.000 0.458 489 T N 5.003 119.536 114.554 -0.035 0.000 2.753 489 T HA 0.306 4.657 4.350 0.002 0.000 0.297 489 T C -0.253 174.337 174.700 -0.185 0.000 0.981 489 T CA -0.593 61.477 62.100 -0.050 0.000 0.956 489 T CB 0.218 69.080 68.868 -0.011 0.000 0.936 489 T HN 0.391 nan 8.240 nan 0.000 0.463 490 L N 6.479 127.536 121.223 -0.278 0.000 2.265 490 L HA 0.352 4.693 4.340 0.002 0.000 0.288 490 L C -1.754 174.701 176.870 -0.692 0.000 1.058 490 L CA -2.171 52.354 54.840 -0.526 0.000 0.809 490 L CB 1.016 42.794 42.059 -0.468 0.000 1.179 490 L HN 0.347 nan 8.230 nan 0.000 0.429 491 P HA 0.094 nan 4.420 nan 0.000 0.225 491 P C 0.988 177.743 177.300 -0.909 0.000 1.813 491 P CA -0.315 62.329 63.100 -0.760 0.000 1.013 491 P CB 0.276 31.612 31.700 -0.606 0.000 1.961 492 I N 1.467 121.626 120.570 -0.686 0.000 2.163 492 I HA -0.250 3.921 4.170 0.002 0.000 0.243 492 I C 2.332 178.341 176.117 -0.180 0.000 1.085 492 I CA 1.728 62.779 61.300 -0.415 0.000 1.347 492 I CB -1.885 35.899 38.000 -0.359 0.000 1.044 492 I HN 0.157 nan 8.210 nan 0.000 0.408 493 A N 0.192 122.913 122.820 -0.165 0.000 1.933 493 A HA -0.235 4.086 4.320 0.002 0.000 0.218 493 A C 2.380 179.934 177.584 -0.050 0.000 1.175 493 A CA 1.714 53.706 52.037 -0.074 0.000 0.628 493 A CB -0.676 18.283 19.000 -0.069 0.000 0.814 493 A HN 0.539 nan 8.150 nan 0.000 0.444 494 E N -1.130 119.009 120.200 -0.102 0.000 2.077 494 E HA -0.228 4.123 4.350 0.002 0.000 0.193 494 E C 1.689 178.351 176.600 0.103 0.000 0.989 494 E CA 1.353 57.732 56.400 -0.036 0.000 0.800 494 E CB -0.218 29.427 29.700 -0.090 0.000 0.746 494 E HN 0.759 nan 8.360 nan 0.000 0.452 495 W N 0.334 121.590 121.300 -0.073 0.000 2.350 495 W HA -0.033 4.632 4.660 0.010 0.000 0.289 495 W C 2.311 178.771 176.519 -0.097 0.000 1.215 495 W CA 1.030 58.324 57.345 -0.085 0.000 1.236 495 W CB -0.949 28.455 29.460 -0.093 0.000 1.130 495 W HN 0.212 nan 8.180 nan 0.000 0.541 496 A N -0.307 122.592 122.820 0.131 0.000 2.119 496 A HA 0.316 4.637 4.320 0.002 0.000 0.216 496 A C 1.761 179.349 177.584 0.006 0.000 1.152 496 A CA 1.194 53.251 52.037 0.033 0.000 0.708 496 A CB -0.948 18.063 19.000 0.019 0.000 0.805 496 A HN 0.548 nan 8.150 nan 0.000 0.460 497 G N -0.393 108.420 108.800 0.022 0.000 2.351 497 G HA2 -0.217 3.745 3.960 0.002 0.000 0.297 497 G HA3 -0.217 3.745 3.960 0.002 0.000 0.297 497 G C -0.176 174.720 174.900 -0.006 0.000 1.054 497 G CA 0.438 45.541 45.100 0.004 0.000 1.123 497 G HN 0.518 nan 8.290 nan 0.000 0.512 498 I N 0.913 121.481 120.570 -0.005 0.000 2.354 498 I HA 0.289 4.460 4.170 0.002 0.000 0.286 498 I C 1.652 177.763 176.117 -0.011 0.000 1.007 498 I CA -0.073 61.223 61.300 -0.007 0.000 1.167 498 I CB 1.616 39.614 38.000 -0.003 0.000 1.320 498 I HN 0.327 nan 8.210 nan 0.000 0.458 499 T N 1.688 116.235 114.554 -0.011 0.000 3.054 499 T HA 0.044 4.395 4.350 0.002 0.000 0.259 499 T C 0.650 175.341 174.700 -0.015 0.000 1.092 499 T CA 0.067 62.160 62.100 -0.013 0.000 1.121 499 T CB 0.001 68.862 68.868 -0.011 0.000 0.912 499 T HN 0.644 nan 8.240 nan 0.000 0.489 500 E N 1.374 121.567 120.200 -0.013 0.000 2.266 500 E HA 0.509 4.860 4.350 0.002 0.000 0.277 500 E C 0.802 177.390 176.600 -0.021 0.000 1.018 500 E CA -0.433 55.958 56.400 -0.015 0.000 0.840 500 E CB 1.029 30.723 29.700 -0.010 0.000 1.082 500 E HN 0.438 nan 8.360 nan 0.000 0.395 501 G N 2.491 111.276 108.800 -0.026 0.000 2.692 501 G HA2 -0.289 3.672 3.960 0.002 0.000 0.248 501 G HA3 -0.289 3.672 3.960 0.002 0.000 0.248 501 G C -0.697 174.177 174.900 -0.043 0.000 1.340 501 G CA 0.091 45.168 45.100 -0.038 0.000 0.896 501 G HN 0.580 nan 8.290 nan 0.000 0.570 502 Q N 1.061 120.825 119.800 -0.059 0.000 2.965 502 Q HA 0.422 4.763 4.340 0.002 0.000 0.288 502 Q C -2.119 173.834 176.000 -0.078 0.000 0.974 502 Q CA -1.208 54.558 55.803 -0.062 0.000 0.849 502 Q CB 1.462 30.161 28.738 -0.064 0.000 1.280 502 Q HN 0.655 nan 8.270 nan 0.000 0.441 503 P HA 0.020 nan 4.420 nan 0.000 0.266 503 P C -0.486 176.791 177.300 -0.038 0.000 1.195 503 P CA -0.068 63.002 63.100 -0.051 0.000 0.768 503 P CB 0.857 32.554 31.700 -0.004 0.000 0.838 504 R N 1.648 122.132 120.500 -0.027 0.000 2.346 504 R HA 0.428 4.770 4.340 0.002 0.000 0.311 504 R C -0.482 175.915 176.300 0.161 0.000 0.983 504 R CA -1.042 55.080 56.100 0.036 0.000 0.880 504 R CB 1.074 31.369 30.300 -0.009 0.000 1.100 504 R HN 0.280 nan 8.270 nan 0.000 0.453 505 V N 3.455 123.438 119.914 0.114 0.000 2.465 505 V HA 0.321 4.442 4.120 0.002 0.000 0.279 505 V C 0.053 176.280 176.094 0.222 0.000 1.045 505 V CA -0.472 61.908 62.300 0.133 0.000 0.938 505 V CB 1.615 33.433 31.823 -0.008 0.000 0.986 505 V HN 0.463 nan 8.190 nan 0.000 0.467 506 V N 5.530 125.621 119.914 0.295 0.000 2.851 506 V HA 0.543 4.664 4.120 0.002 0.000 0.307 506 V C -0.506 175.758 176.094 0.283 0.000 1.129 506 V CA -0.297 62.208 62.300 0.342 0.000 0.932 506 V CB 1.717 33.761 31.823 0.368 0.000 1.024 506 V HN 1.054 nan 8.190 nan 0.000 0.426 507 Q N 3.496 123.483 119.800 0.311 0.000 2.422 507 Q HA -0.123 4.218 4.340 0.002 0.000 0.313 507 Q C 0.003 175.914 176.000 -0.147 0.000 1.308 507 Q CA 0.713 56.503 55.803 -0.022 0.000 0.841 507 Q CB -0.921 27.471 28.738 -0.576 0.000 0.948 507 Q HN 1.484 nan 8.270 nan 0.000 0.307 508 G N 3.021 111.722 108.800 -0.164 0.000 2.441 508 G HA2 0.297 4.258 3.960 0.002 0.000 0.243 508 G HA3 0.297 4.258 3.960 0.002 0.000 0.243 508 G C -0.386 174.265 174.900 -0.414 0.000 1.281 508 G CA 0.351 45.007 45.100 -0.740 0.000 0.854 508 G HN 0.551 nan 8.290 nan 0.000 0.560 509 E N 1.013 120.949 120.200 -0.440 0.000 2.291 509 E HA 0.520 4.871 4.350 0.002 0.000 0.276 509 E C -1.239 175.301 176.600 -0.100 0.000 0.896 509 E CA -0.731 55.570 56.400 -0.164 0.000 0.774 509 E CB 0.920 30.514 29.700 -0.178 0.000 1.227 509 E HN 0.243 nan 8.360 nan 0.000 0.413 510 F N 2.692 122.631 119.950 -0.018 0.000 2.370 510 F HA 0.346 4.873 4.527 -0.001 0.000 0.319 510 F C 1.300 177.122 175.800 0.038 0.000 1.129 510 F CA -0.330 57.694 58.000 0.040 0.000 1.109 510 F CB 0.581 39.611 39.000 0.051 0.000 1.262 510 F HN 0.551 nan 8.300 nan 0.000 0.534 511 N N 0.981 119.885 118.700 0.341 0.000 2.327 511 N HA 0.055 4.797 4.740 0.002 0.000 0.257 511 N C 0.639 176.202 175.510 0.089 0.000 1.281 511 N CA -0.475 52.714 53.050 0.232 0.000 0.942 511 N CB 0.231 38.929 38.487 0.351 0.000 1.199 511 N HN 0.680 nan 8.380 nan 0.000 0.532 512 K N -0.761 119.660 120.400 0.034 0.000 2.063 512 K HA -0.156 4.165 4.320 0.002 0.000 0.208 512 K C 0.123 176.701 176.600 -0.037 0.000 1.048 512 K CA 1.587 57.876 56.287 0.003 0.000 0.928 512 K CB -0.126 32.317 32.500 -0.094 0.000 0.713 512 K HN 0.466 nan 8.250 nan 0.000 0.442 513 D N -0.430 119.945 120.400 -0.041 0.000 2.347 513 D HA 0.024 4.665 4.640 0.002 0.000 0.215 513 D C 0.807 177.000 176.300 -0.179 0.000 0.976 513 D CA 1.093 55.059 54.000 -0.055 0.000 0.884 513 D CB 0.189 40.987 40.800 -0.004 0.000 0.915 513 D HN 0.528 nan 8.370 nan 0.000 0.526 514 G N 0.998 109.581 108.800 -0.361 0.000 2.221 514 G HA2 -0.308 3.654 3.960 0.002 0.000 0.265 514 G HA3 -0.308 3.654 3.960 0.002 0.000 0.265 514 G C 1.023 175.931 174.900 0.013 0.000 1.041 514 G CA 1.104 45.794 45.100 -0.683 0.000 0.807 514 G HN 0.425 nan 8.290 nan 0.000 0.502 515 T N -3.827 110.819 114.554 0.153 0.000 2.990 515 T HA 0.463 4.814 4.350 0.002 0.000 0.250 515 T C 0.506 175.352 174.700 0.244 0.000 1.041 515 T CA 0.798 63.020 62.100 0.205 0.000 1.010 515 T CB 0.864 69.814 68.868 0.138 0.000 1.003 515 T HN 0.506 nan 8.240 nan 0.000 0.499 516 E N 0.340 120.691 120.200 0.252 0.000 2.314 516 E HA 0.633 4.984 4.350 0.002 0.000 0.272 516 E C -1.960 174.647 176.600 0.010 0.000 0.884 516 E CA -0.968 55.540 56.400 0.180 0.000 0.753 516 E CB 3.332 33.197 29.700 0.275 0.000 1.213 516 E HN 0.067 nan 8.360 nan 0.000 0.432 517 V N 3.058 122.847 119.914 -0.207 0.000 2.531 517 V HA 0.488 4.609 4.120 0.002 0.000 0.301 517 V C -1.687 174.248 176.094 -0.266 0.000 1.034 517 V CA -0.498 61.430 62.300 -0.621 0.000 0.865 517 V CB 0.682 31.663 31.823 -1.404 0.000 0.995 517 V HN 0.587 nan 8.190 nan 0.000 0.424 518 W N 5.769 126.700 121.300 -0.615 0.000 2.496 518 W HA 0.744 5.403 4.660 -0.002 0.000 0.327 518 W C -0.612 175.486 176.519 -0.702 0.000 1.086 518 W CA -0.950 56.104 57.345 -0.486 0.000 1.222 518 W CB 1.165 30.373 29.460 -0.420 0.000 1.304 518 W HN 0.396 nan 8.180 nan 0.000 0.547 519 F N 0.967 120.943 119.950 0.042 0.000 2.551 519 F HA 0.445 4.973 4.527 0.001 0.000 0.316 519 F C 0.408 176.216 175.800 0.014 0.000 1.089 519 F CA -1.078 56.928 58.000 0.010 0.000 0.915 519 F CB 1.676 40.673 39.000 -0.006 0.000 1.186 519 F HN -0.025 nan 8.300 nan 0.000 0.456 520 S N 1.366 117.185 115.700 0.198 0.000 2.537 520 S HA 0.512 4.984 4.470 0.002 0.000 0.275 520 S C -0.485 174.224 174.600 0.183 0.000 1.272 520 S CA -0.678 57.603 58.200 0.136 0.000 1.050 520 S CB 1.295 64.528 63.200 0.055 0.000 0.961 520 S HN 0.335 nan 8.310 nan 0.000 0.496 521 V N 4.247 124.252 119.914 0.152 0.000 2.239 521 V HA 0.195 4.317 4.120 0.002 0.000 0.267 521 V C -0.761 175.461 176.094 0.214 0.000 1.056 521 V CA -0.716 61.674 62.300 0.149 0.000 0.830 521 V CB -0.171 31.699 31.823 0.079 0.000 1.090 521 V HN 0.913 nan 8.190 nan 0.000 0.459 522 W N 5.971 127.289 121.300 0.030 0.000 2.416 522 W HA 0.505 5.166 4.660 0.002 0.000 0.318 522 W C -0.164 176.369 176.519 0.023 0.000 1.150 522 W CA -0.652 56.711 57.345 0.031 0.000 1.392 522 W CB 0.366 29.853 29.460 0.045 0.000 1.311 522 W HN 0.432 nan 8.180 nan 0.000 0.436 523 N N 2.557 121.366 118.700 0.182 0.000 2.592 523 N HA 0.623 5.364 4.740 0.002 0.000 0.292 523 N C 0.183 175.708 175.510 0.025 0.000 1.260 523 N CA -0.281 52.770 53.050 0.002 0.000 0.910 523 N CB 1.320 39.824 38.487 0.027 0.000 1.257 523 N HN 0.466 nan 8.380 nan 0.000 0.569 524 G N -0.017 108.771 108.800 -0.019 0.000 2.699 524 G HA2 0.018 3.979 3.960 0.002 0.000 0.246 524 G HA3 0.018 3.979 3.960 0.002 0.000 0.246 524 G C 0.865 175.814 174.900 0.082 0.000 1.219 524 G CA -0.113 45.000 45.100 0.021 0.000 0.866 524 G HN 0.682 nan 8.290 nan 0.000 0.572 525 K N -0.777 119.682 120.400 0.099 0.000 2.103 525 K HA -0.104 4.217 4.320 0.002 0.000 0.207 525 K C 0.743 177.388 176.600 0.076 0.000 1.048 525 K CA 1.695 58.045 56.287 0.105 0.000 0.930 525 K CB 0.070 32.639 32.500 0.115 0.000 0.716 525 K HN 0.427 nan 8.250 nan 0.000 0.444 526 D N 0.456 120.890 120.400 0.056 0.000 2.388 526 D HA 0.068 4.710 4.640 0.002 0.000 0.221 526 D C -0.123 176.197 176.300 0.033 0.000 1.133 526 D CA 0.249 54.274 54.000 0.042 0.000 0.831 526 D CB 0.617 41.437 40.800 0.034 0.000 0.962 526 D HN 0.335 nan 8.370 nan 0.000 0.502 527 Q N 0.117 119.939 119.800 0.036 0.000 2.418 527 Q HA 0.351 4.692 4.340 0.002 0.000 0.276 527 Q C -0.287 175.733 176.000 0.034 0.000 1.081 527 Q CA -0.797 55.022 55.803 0.026 0.000 0.864 527 Q CB 2.095 30.841 28.738 0.013 0.000 1.384 527 Q HN -0.050 nan 8.270 nan 0.000 0.467 528 E N 0.516 120.731 120.200 0.024 0.000 2.194 528 E HA 0.285 4.637 4.350 0.002 0.000 0.284 528 E C -1.068 175.554 176.600 0.037 0.000 1.035 528 E CA -0.035 56.380 56.400 0.025 0.000 0.836 528 E CB 0.847 30.553 29.700 0.011 0.000 1.070 528 E HN 0.419 nan 8.360 nan 0.000 0.401 529 S N 1.613 117.343 115.700 0.050 0.000 2.759 529 S HA 0.946 5.417 4.470 0.002 0.000 0.310 529 S C -1.018 173.605 174.600 0.039 0.000 1.123 529 S CA -0.449 57.792 58.200 0.069 0.000 0.959 529 S CB 1.831 65.099 63.200 0.114 0.000 1.172 529 S HN 0.712 nan 8.310 nan 0.000 0.539 530 A N 0.320 123.165 122.820 0.042 0.000 2.586 530 A HA 0.718 5.039 4.320 0.002 0.000 0.290 530 A C -2.178 175.408 177.584 0.005 0.000 1.086 530 A CA -0.722 51.317 52.037 0.003 0.000 0.665 530 A CB 0.611 19.598 19.000 -0.022 0.000 1.279 530 A HN 0.605 nan 8.150 nan 0.000 0.423 531 L N 0.534 121.726 121.223 -0.052 0.000 2.329 531 L HA 0.705 5.047 4.340 0.002 0.000 0.279 531 L C -0.869 175.899 176.870 -0.170 0.000 1.014 531 L CA -1.112 53.680 54.840 -0.081 0.000 0.814 531 L CB 1.812 43.797 42.059 -0.125 0.000 1.257 531 L HN 0.420 nan 8.230 nan 0.000 0.424 532 V N 3.471 123.323 119.914 -0.104 0.000 2.417 532 V HA 0.375 4.496 4.120 0.002 0.000 0.291 532 V C -0.071 175.907 176.094 -0.194 0.000 1.024 532 V CA -0.634 61.602 62.300 -0.106 0.000 0.861 532 V CB 2.216 34.091 31.823 0.086 0.000 0.985 532 V HN 0.430 nan 8.190 nan 0.000 0.436 533 V N 5.994 125.670 119.914 -0.397 0.000 2.370 533 V HA 0.438 4.559 4.120 0.002 0.000 0.279 533 V C -0.059 175.926 176.094 -0.182 0.000 1.029 533 V CA -0.515 61.485 62.300 -0.499 0.000 0.870 533 V CB 1.681 32.953 31.823 -0.919 0.000 0.984 533 V HN 0.602 nan 8.190 nan 0.000 0.451 534 V N 3.589 123.489 119.914 -0.024 0.000 2.435 534 V HA 0.297 4.418 4.120 0.002 0.000 0.290 534 V C -0.056 176.080 176.094 0.069 0.000 1.030 534 V CA -0.661 61.694 62.300 0.091 0.000 0.881 534 V CB 1.906 33.894 31.823 0.273 0.000 0.983 534 V HN 0.971 nan 8.190 nan 0.000 0.445 535 D N 2.608 123.048 120.400 0.067 0.000 2.338 535 D HA 0.058 4.699 4.640 0.002 0.000 0.255 535 D C 0.981 177.390 176.300 0.181 0.000 1.237 535 D CA 0.062 54.124 54.000 0.103 0.000 0.883 535 D CB 0.999 41.836 40.800 0.062 0.000 1.087 535 D HN 0.705 nan 8.370 nan 0.000 0.485 536 D N 3.232 123.780 120.400 0.246 0.000 2.178 536 D HA -0.184 4.458 4.640 0.002 0.000 0.201 536 D C 1.387 177.939 176.300 0.420 0.000 0.980 536 D CA 1.270 55.513 54.000 0.405 0.000 0.842 536 D CB 0.360 41.470 40.800 0.517 0.000 0.948 536 D HN 0.332 nan 8.370 nan 0.000 0.472 537 K N -0.977 119.605 120.400 0.302 0.000 2.097 537 K HA -0.069 4.252 4.320 0.002 0.000 0.205 537 K C 2.081 178.839 176.600 0.263 0.000 1.050 537 K CA 1.624 58.081 56.287 0.283 0.000 0.938 537 K CB -0.058 32.552 32.500 0.183 0.000 0.718 537 K HN 0.360 nan 8.250 nan 0.000 0.442 538 T N -2.135 112.526 114.554 0.177 0.000 3.014 538 T HA 0.192 4.543 4.350 0.002 0.000 0.250 538 T C 0.948 175.690 174.700 0.070 0.000 1.060 538 T CA -0.233 61.935 62.100 0.114 0.000 1.040 538 T CB -0.000 68.908 68.868 0.067 0.000 0.971 538 T HN 0.208 nan 8.240 nan 0.000 0.497 539 L N 0.408 121.677 121.223 0.077 0.000 4.089 539 L HA -0.157 4.184 4.340 0.002 0.000 0.408 539 L C -0.290 176.674 176.870 0.156 0.000 1.184 539 L CA 0.367 55.252 54.840 0.075 0.000 0.947 539 L CB -2.091 39.909 42.059 -0.098 0.000 2.066 539 L HN 0.499 nan 8.230 nan 0.000 0.851 540 E N 0.167 120.402 120.200 0.058 0.000 2.222 540 E HA 0.535 4.886 4.350 0.002 0.000 0.267 540 E C -0.211 176.207 176.600 -0.303 0.000 0.963 540 E CA -1.257 55.077 56.400 -0.111 0.000 0.837 540 E CB 2.109 31.738 29.700 -0.120 0.000 1.183 540 E HN 0.101 nan 8.360 nan 0.000 0.403 541 L N 2.391 123.116 121.223 -0.830 0.000 2.513 541 L HA -0.016 4.325 4.340 0.002 0.000 0.272 541 L C 0.778 177.415 176.870 -0.388 0.000 1.187 541 L CA 0.699 55.063 54.840 -0.794 0.000 0.895 541 L CB 0.484 41.807 42.059 -1.227 0.000 1.147 541 L HN 0.448 nan 8.230 nan 0.000 0.483 542 K N 3.154 123.400 120.400 -0.256 0.000 2.190 542 K HA 0.158 4.479 4.320 0.002 0.000 0.202 542 K C -0.437 176.052 176.600 -0.185 0.000 1.045 542 K CA 0.838 57.021 56.287 -0.175 0.000 0.976 542 K CB 0.058 32.489 32.500 -0.115 0.000 0.849 542 K HN 0.837 nan 8.250 nan 0.000 0.468 543 H N -1.739 117.061 119.070 -0.450 0.000 3.094 543 H HA 0.462 5.020 4.556 0.003 0.000 0.346 543 H C -1.961 173.075 175.328 -0.487 0.000 1.238 543 H CA -0.737 54.994 56.048 -0.528 0.000 1.209 543 H CB 1.504 30.702 29.762 -0.940 0.000 1.911 543 H HN -0.174 nan 8.280 nan 0.000 0.540 544 V N 5.584 125.043 119.914 -0.759 0.000 2.384 544 V HA 0.354 4.475 4.120 0.002 0.000 0.287 544 V C 0.082 175.876 176.094 -0.501 0.000 1.020 544 V CA -0.529 61.471 62.300 -0.500 0.000 0.850 544 V CB 1.169 32.795 31.823 -0.329 0.000 0.987 544 V HN 0.562 nan 8.190 nan 0.000 0.436 545 I N 5.631 126.019 120.570 -0.302 0.000 2.307 545 I HA 0.443 4.614 4.170 0.002 0.000 0.289 545 I C 0.099 176.150 176.117 -0.109 0.000 1.021 545 I CA -0.174 61.024 61.300 -0.170 0.000 1.224 545 I CB 0.744 38.638 38.000 -0.178 0.000 1.376 545 I HN 0.501 nan 8.210 nan 0.000 0.470 546 K N 5.316 125.669 120.400 -0.078 0.000 2.427 546 K HA 0.534 4.855 4.320 0.002 0.000 0.252 546 K C -1.368 175.222 176.600 -0.016 0.000 0.931 546 K CA -0.876 55.385 56.287 -0.044 0.000 0.793 546 K CB 2.698 35.167 32.500 -0.052 0.000 1.211 546 K HN 0.468 nan 8.250 nan 0.000 0.426 547 D N 1.330 121.729 120.400 -0.000 0.000 2.706 547 D HA 0.042 4.683 4.640 0.002 0.000 0.225 547 D C 0.159 176.470 176.300 0.018 0.000 1.241 547 D CA -0.269 53.737 54.000 0.011 0.000 0.784 547 D CB 1.835 42.646 40.800 0.019 0.000 1.521 547 D HN 0.397 nan 8.370 nan 0.000 0.461 548 E N 1.360 121.571 120.200 0.019 0.000 2.209 548 E HA -0.137 4.214 4.350 0.002 0.000 0.196 548 E C 1.456 178.075 176.600 0.031 0.000 0.993 548 E CA 1.003 57.418 56.400 0.024 0.000 0.819 548 E CB 0.107 29.820 29.700 0.022 0.000 0.745 548 E HN 0.424 nan 8.360 nan 0.000 0.477 549 R N -0.009 120.511 120.500 0.033 0.000 2.276 549 R HA 0.048 4.389 4.340 0.002 0.000 0.203 549 R C 0.901 177.226 176.300 0.043 0.000 1.017 549 R CA -0.087 56.036 56.100 0.039 0.000 1.010 549 R CB -0.061 30.262 30.300 0.039 0.000 0.900 549 R HN -0.037 nan 8.270 nan 0.000 0.469 550 L N 2.083 123.330 121.223 0.040 0.000 2.384 550 L HA 0.120 4.462 4.340 0.002 0.000 0.258 550 L C -0.804 176.097 176.870 0.052 0.000 1.266 550 L CA 0.073 54.939 54.840 0.043 0.000 1.162 550 L CB 0.538 42.618 42.059 0.036 0.000 1.375 550 L HN -0.205 nan 8.230 nan 0.000 0.420 551 V N 3.214 123.162 119.914 0.056 0.000 2.407 551 V HA 0.249 4.371 4.120 0.002 0.000 0.278 551 V C 0.732 176.876 176.094 0.083 0.000 1.037 551 V CA 0.013 62.357 62.300 0.073 0.000 0.900 551 V CB 1.090 32.956 31.823 0.071 0.000 0.983 551 V HN 0.845 nan 8.190 nan 0.000 0.459 552 T N 4.189 118.826 114.554 0.139 0.000 3.626 552 T HA -0.114 4.237 4.350 0.002 0.000 0.393 552 T C -1.680 173.033 174.700 0.021 0.000 0.765 552 T CA -0.021 62.205 62.100 0.210 0.000 2.006 552 T CB -1.762 67.258 68.868 0.254 0.000 1.739 552 T HN 0.568 nan 8.240 nan 0.000 0.720 553 P HA 0.233 nan 4.420 nan 0.000 0.271 553 P C 0.980 178.138 177.300 -0.238 0.000 1.220 553 P CA 0.223 63.282 63.100 -0.068 0.000 0.768 553 P CB 1.510 33.216 31.700 0.011 0.000 0.848 554 T N 0.874 115.235 114.554 -0.322 0.000 2.964 554 T HA 0.367 4.718 4.350 0.002 0.000 0.161 554 T C 0.990 175.501 174.700 -0.316 0.000 0.859 554 T CA 0.109 61.918 62.100 -0.485 0.000 1.015 554 T CB -0.770 67.651 68.868 -0.746 0.000 2.138 554 T HN 0.336 nan 8.240 nan 0.000 0.367 555 G N 1.908 110.535 108.800 -0.288 0.000 2.441 555 G HA2 0.508 4.470 3.960 0.002 0.000 0.243 555 G HA3 0.508 4.470 3.960 0.002 0.000 0.243 555 G C -1.024 173.645 174.900 -0.386 0.000 1.281 555 G CA -0.465 44.434 45.100 -0.334 0.000 0.854 555 G HN 0.660 nan 8.290 nan 0.000 0.560 556 K N 0.633 120.592 120.400 -0.736 0.000 2.443 556 K HA 0.498 4.819 4.320 0.002 0.000 0.252 556 K C -1.564 174.434 176.600 -1.002 0.000 0.933 556 K CA -0.457 55.521 56.287 -0.515 0.000 0.792 556 K CB 2.377 34.772 32.500 -0.176 0.000 1.185 556 K HN 0.383 nan 8.250 nan 0.000 0.425 557 F N 1.523 121.438 119.950 -0.060 0.000 2.612 557 F HA 0.247 4.776 4.527 0.003 0.000 0.332 557 F C 0.228 175.836 175.800 -0.320 0.000 1.167 557 F CA -0.968 56.945 58.000 -0.144 0.000 0.970 557 F CB 1.471 40.426 39.000 -0.075 0.000 1.234 557 F HN 0.463 nan 8.300 nan 0.000 0.453 558 N N 2.510 120.931 118.700 -0.465 0.000 2.497 558 N HA 0.071 4.812 4.740 0.002 0.000 0.268 558 N C 0.974 176.343 175.510 -0.235 0.000 1.171 558 N CA 0.025 52.617 53.050 -0.762 0.000 0.948 558 N CB 1.532 39.447 38.487 -0.954 0.000 1.069 558 N HN 0.481 nan 8.380 nan 0.000 0.460 559 V N 4.625 124.444 119.914 -0.158 0.000 2.252 559 V HA -0.284 3.837 4.120 0.002 0.000 0.249 559 V C 1.813 177.934 176.094 0.045 0.000 1.056 559 V CA 1.796 64.096 62.300 0.000 0.000 1.022 559 V CB -1.089 30.764 31.823 0.049 0.000 0.641 559 V HN 0.752 nan 8.190 nan 0.000 0.445 560 Y N 1.665 121.943 120.300 -0.037 0.000 2.145 560 Y HA -0.216 4.338 4.550 0.006 0.000 0.286 560 Y C 2.527 178.451 175.900 0.041 0.000 1.145 560 Y CA 2.062 60.169 58.100 0.012 0.000 1.148 560 Y CB -0.280 38.191 38.460 0.019 0.000 0.981 560 Y HN 0.311 nan 8.280 nan 0.000 0.507 561 N N -0.923 117.870 118.700 0.156 0.000 2.381 561 N HA -0.118 4.624 4.740 0.002 0.000 0.182 561 N C 1.579 177.162 175.510 0.123 0.000 1.025 561 N CA 1.693 54.836 53.050 0.155 0.000 0.888 561 N CB -0.458 38.158 38.487 0.216 0.000 0.965 561 N HN 0.397 nan 8.380 nan 0.000 0.438 562 T N 1.019 115.625 114.554 0.087 0.000 2.939 562 T HA 0.048 4.399 4.350 0.002 0.000 0.254 562 T C 1.873 176.600 174.700 0.045 0.000 1.041 562 T CA 0.366 62.534 62.100 0.113 0.000 1.142 562 T CB 0.014 68.946 68.868 0.106 0.000 0.874 562 T HN 0.223 nan 8.240 nan 0.000 0.452 563 M N 2.268 121.850 119.600 -0.030 0.000 2.159 563 M HA -0.123 4.359 4.480 0.002 0.000 0.263 563 M C 2.023 178.245 176.300 -0.129 0.000 1.063 563 M CA 1.976 57.230 55.300 -0.077 0.000 1.110 563 M CB -0.433 32.104 32.600 -0.105 0.000 1.374 563 M HN 0.325 nan 8.290 nan 0.000 0.411 564 T N -3.666 110.768 114.554 -0.201 0.000 3.086 564 T HA 0.128 4.479 4.350 0.002 0.000 0.250 564 T C 0.020 174.694 174.700 -0.043 0.000 1.074 564 T CA 0.232 62.210 62.100 -0.203 0.000 0.988 564 T CB -0.247 68.378 68.868 -0.404 0.000 0.988 564 T HN 0.511 nan 8.240 nan 0.000 0.530 565 D N 1.348 121.798 120.400 0.083 0.000 2.697 565 D HA -0.109 4.532 4.640 0.002 0.000 0.238 565 D C -0.730 175.536 176.300 -0.058 0.000 1.152 565 D CA 0.901 55.007 54.000 0.176 0.000 0.666 565 D CB -1.936 39.010 40.800 0.242 0.000 1.037 565 D HN 0.431 nan 8.370 nan 0.000 0.423 566 T N 1.275 115.855 114.554 0.044 0.000 2.811 566 T HA 0.494 4.845 4.350 0.002 0.000 0.309 566 T C -0.007 174.740 174.700 0.078 0.000 1.005 566 T CA -0.462 61.631 62.100 -0.012 0.000 0.955 566 T CB 0.253 69.163 68.868 0.071 0.000 0.970 566 T HN 0.271 nan 8.240 nan 0.000 0.496 567 Y N 0.000 120.371 120.300 0.119 0.000 2.660 567 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 567 Y CA 0.000 58.178 58.100 0.130 0.000 1.940 567 Y CB 0.000 38.577 38.460 0.194 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758