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 2nvo_1_A DATA FIRST_RESID 36 DATA SEQUENCE SDESRLTRFL VLGVDGGTFY ASAQKHTVQA TDFVRELVQR DAALALRVTL DATA SEQUENCE DVVRGQRAPK ADPALLVLAL IAKTAPNAAD RKAAWDALPE VARTGTMLLH DATA SEQUENCE FLAFADALGG WGRLTRRGVA NVYETADVDK LALWAVKYKA RDGWSQADAL DATA SEQUENCE RKAHPKTDDA ARNAVLKFMV DGVLPKVDSP ALRVIEGHLK ATEAQTDAAA DATA SEQUENCE AALMQEYRLP LEAVPTHVRG AEVYRAAMQT NGLTWLLRNL GNLGRVGVLT DATA SEQUENCE PNDSATVQAV IERLTDPAAL KRGRIHPLDA LKARLVYAQG QGVRGKGTWL DATA SEQUENCE PVPRVVDALE EAFTLAFGNV QPANTRHLLA LDVSGSMTCG DVAGVPGLTP DATA SEQUENCE NMAAAAMSLI ALRTEPDALT MGFAEQFRPL GITPRDTLES AMQKAQSVSF DATA SEQUENCE GGTDCAQPIL WAAQERLDVD TFVVYTDNET WAGQVHPTVA LDQYAQKMGR DATA SEQUENCE APKLIVVGLT ATEFSIADPQ RRDMLDVVGF DAAAPNVMTA FARGEV 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 36 S HA 0.000 nan 4.470 nan 0.000 0.327 36 S C 0.000 174.638 174.600 0.063 0.000 1.055 36 S CA 0.000 58.218 58.200 0.029 0.000 1.107 36 S CB 0.000 63.213 63.200 0.022 0.000 0.593 37 D N 2.950 123.424 120.400 0.122 0.000 2.104 37 D HA -0.102 4.538 4.640 0.000 0.000 0.194 37 D C 1.550 177.959 176.300 0.181 0.000 0.994 37 D CA 1.831 55.973 54.000 0.237 0.000 0.830 37 D CB 0.005 40.906 40.800 0.168 0.000 0.959 37 D HN 0.722 nan 8.370 nan 0.000 0.452 38 E N 0.344 120.603 120.200 0.098 0.000 2.058 38 E HA -0.114 4.236 4.350 0.000 0.000 0.194 38 E C 2.246 178.891 176.600 0.074 0.000 0.997 38 E CA 1.285 57.729 56.400 0.073 0.000 0.801 38 E CB -0.188 29.538 29.700 0.044 0.000 0.746 38 E HN 0.054 nan 8.360 nan 0.000 0.450 39 S N -0.264 115.469 115.700 0.055 0.000 2.387 39 S HA -0.066 4.404 4.470 0.000 0.000 0.226 39 S C 1.883 176.506 174.600 0.039 0.000 1.026 39 S CA 0.805 59.028 58.200 0.038 0.000 0.972 39 S CB -0.089 63.121 63.200 0.017 0.000 0.814 39 S HN 0.159 nan 8.310 nan 0.000 0.477 40 R N 0.552 121.060 120.500 0.013 0.000 2.092 40 R HA 0.007 4.347 4.340 0.000 0.000 0.231 40 R C 2.255 178.607 176.300 0.086 0.000 1.119 40 R CA 0.948 57.003 56.100 -0.074 0.000 0.970 40 R CB -0.311 29.740 30.300 -0.416 0.000 0.864 40 R HN 0.314 nan 8.270 nan 0.000 0.440 41 L N 0.424 121.782 121.223 0.224 0.000 2.093 41 L HA -0.073 4.267 4.340 0.000 0.000 0.208 41 L C 1.903 178.908 176.870 0.225 0.000 1.085 41 L CA 1.910 56.917 54.840 0.279 0.000 0.755 41 L CB -0.551 41.635 42.059 0.211 0.000 0.904 41 L HN 0.081 nan 8.230 nan 0.000 0.435 42 T N -0.453 114.187 114.554 0.144 0.000 2.746 42 T HA -0.228 4.122 4.350 0.000 0.000 0.267 42 T C 2.002 176.768 174.700 0.110 0.000 1.039 42 T CA 1.684 63.848 62.100 0.107 0.000 1.142 42 T CB -0.235 68.673 68.868 0.067 0.000 0.866 42 T HN 0.342 nan 8.240 nan 0.000 0.444 43 R N -0.142 120.426 120.500 0.114 0.000 2.081 43 R HA -0.081 4.259 4.340 0.000 0.000 0.235 43 R C 2.207 178.584 176.300 0.128 0.000 1.131 43 R CA 1.451 57.612 56.100 0.102 0.000 0.960 43 R CB -0.479 29.872 30.300 0.086 0.000 0.856 43 R HN 0.439 nan 8.270 nan 0.000 0.436 44 F N 0.986 120.964 119.950 0.045 0.000 2.171 44 F HA -0.133 4.395 4.527 0.001 0.000 0.300 44 F C 1.658 177.487 175.800 0.048 0.000 1.090 44 F CA 1.368 59.402 58.000 0.057 0.000 1.293 44 F CB -0.089 38.961 39.000 0.082 0.000 1.013 44 F HN -0.004 nan 8.300 nan 0.000 0.486 45 L N -0.726 120.574 121.223 0.130 0.000 2.093 45 L HA -0.193 4.147 4.340 0.000 0.000 0.208 45 L C 2.247 179.083 176.870 -0.057 0.000 1.085 45 L CA 0.823 55.673 54.840 0.016 0.000 0.755 45 L CB -0.661 41.454 42.059 0.094 0.000 0.904 45 L HN 0.067 nan 8.230 nan 0.000 0.435 46 V N -0.419 119.479 119.914 -0.026 0.000 2.379 46 V HA -0.161 3.959 4.120 0.000 0.000 0.243 46 V C 2.144 178.225 176.094 -0.022 0.000 1.035 46 V CA 1.229 63.509 62.300 -0.033 0.000 1.035 46 V CB -0.088 31.716 31.823 -0.032 0.000 0.673 46 V HN 0.301 nan 8.190 nan 0.000 0.457 47 L N 0.140 121.358 121.223 -0.007 0.000 2.209 47 L HA 0.261 4.601 4.340 0.000 0.000 0.207 47 L C 1.827 178.726 176.870 0.048 0.000 1.094 47 L CA 1.091 55.998 54.840 0.112 0.000 0.790 47 L CB -0.574 41.541 42.059 0.093 0.000 0.932 47 L HN 0.583 nan 8.230 nan 0.000 0.447 48 G N 0.507 109.183 108.800 -0.206 0.000 2.136 48 G HA2 -0.229 3.731 3.960 0.000 0.000 0.242 48 G HA3 -0.229 3.731 3.960 0.000 0.000 0.242 48 G C -0.190 174.519 174.900 -0.319 0.000 0.989 48 G CA 0.233 45.099 45.100 -0.390 0.000 0.682 48 G HN 0.183 nan 8.290 nan 0.000 0.522 49 V N -0.505 119.306 119.914 -0.172 0.000 3.087 49 V HA 0.660 4.780 4.120 0.000 0.000 0.306 49 V C -0.906 175.327 176.094 0.232 0.000 1.187 49 V CA -0.130 62.225 62.300 0.092 0.000 0.999 49 V CB 2.170 34.083 31.823 0.150 0.000 1.049 49 V HN 0.173 nan 8.190 nan 0.000 0.431 50 D N 2.600 123.197 120.400 0.330 0.000 3.072 50 D HA 0.547 5.187 4.640 0.000 0.000 0.250 50 D C 0.124 176.482 176.300 0.097 0.000 1.304 50 D CA 0.928 55.084 54.000 0.259 0.000 0.861 50 D CB -0.041 40.897 40.800 0.229 0.000 1.062 50 D HN 0.870 nan 8.370 nan 0.000 0.481 51 G N -1.858 106.985 108.800 0.072 0.000 2.682 51 G HA2 0.460 4.420 3.960 0.000 0.000 0.303 51 G HA3 0.460 4.420 3.960 0.000 0.000 0.303 51 G C 0.075 174.969 174.900 -0.011 0.000 1.341 51 G CA -0.430 44.679 45.100 0.015 0.000 0.784 51 G HN 0.004 nan 8.290 nan 0.000 0.497 52 G N -0.002 108.768 108.800 -0.049 0.000 3.709 52 G HA2 0.462 4.422 3.960 0.000 0.000 0.272 52 G HA3 0.462 4.422 3.960 0.000 0.000 0.272 52 G C -0.179 174.614 174.900 -0.178 0.000 1.259 52 G CA 0.139 45.184 45.100 -0.093 0.000 1.512 52 G HN 0.575 nan 8.290 nan 0.000 0.625 53 T N 0.537 114.983 114.554 -0.180 0.000 2.879 53 T HA 0.357 4.707 4.350 0.000 0.000 0.290 53 T C -1.486 173.060 174.700 -0.256 0.000 0.993 53 T CA -0.487 61.413 62.100 -0.333 0.000 0.975 53 T CB 1.713 70.275 68.868 -0.510 0.000 0.981 53 T HN 0.132 nan 8.240 nan 0.000 0.439 54 F N 3.993 123.693 119.950 -0.417 0.000 2.361 54 F HA 0.512 5.039 4.527 -0.000 0.000 0.364 54 F C -1.106 174.471 175.800 -0.372 0.000 1.120 54 F CA -1.756 56.064 58.000 -0.301 0.000 1.102 54 F CB 0.389 39.268 39.000 -0.202 0.000 1.183 54 F HN 0.524 nan 8.300 nan 0.000 0.476 55 Y N 5.226 125.124 120.300 -0.670 0.000 2.556 55 Y HA 0.466 5.015 4.550 -0.000 0.000 0.352 55 Y C 0.483 175.815 175.900 -0.946 0.000 1.006 55 Y CA -0.558 57.155 58.100 -0.644 0.000 1.277 55 Y CB 0.540 38.686 38.460 -0.524 0.000 1.136 55 Y HN 0.694 nan 8.280 nan 0.000 0.523 56 A N 3.398 125.835 122.820 -0.639 0.000 2.621 56 A HA 0.617 4.937 4.320 0.000 0.000 0.329 56 A C 0.024 177.478 177.584 -0.216 0.000 1.458 56 A CA -0.207 51.471 52.037 -0.598 0.000 1.052 56 A CB -0.012 18.875 19.000 -0.189 0.000 1.142 56 A HN 0.601 nan 8.150 nan 0.000 0.523 57 S N 0.050 115.636 115.700 -0.191 0.000 2.823 57 S HA 0.896 5.366 4.470 0.000 0.000 0.316 57 S C 0.493 175.079 174.600 -0.024 0.000 1.116 57 S CA 0.210 58.363 58.200 -0.078 0.000 0.911 57 S CB 1.746 64.902 63.200 -0.073 0.000 1.276 57 S HN 1.768 nan 8.310 nan 0.000 0.565 58 A N 0.108 122.926 122.820 -0.004 0.000 2.379 58 A HA 0.211 4.531 4.320 0.000 0.000 0.221 58 A C -0.250 177.343 177.584 0.015 0.000 2.885 58 A CA -0.184 51.860 52.037 0.012 0.000 1.616 58 A CB -0.517 18.498 19.000 0.024 0.000 0.175 58 A HN 0.366 nan 8.150 nan 0.000 0.587 59 Q N 0.260 120.067 119.800 0.012 0.000 2.962 59 Q HA 0.519 4.859 4.340 0.000 0.000 0.282 59 Q C 0.784 176.786 176.000 0.004 0.000 1.058 59 Q CA -0.415 55.398 55.803 0.017 0.000 0.854 59 Q CB 0.951 29.713 28.738 0.040 0.000 1.441 59 Q HN 0.372 nan 8.270 nan 0.000 0.497 60 K N -0.021 120.372 120.400 -0.012 0.000 1.978 60 K HA -0.024 4.296 4.320 0.000 0.000 0.221 60 K C -0.066 176.514 176.600 -0.035 0.000 1.036 60 K CA 0.542 56.797 56.287 -0.053 0.000 0.996 60 K CB -0.478 31.942 32.500 -0.133 0.000 0.755 60 K HN 0.579 nan 8.250 nan 0.000 0.445 61 H N 2.006 120.968 119.070 -0.180 0.000 1.866 61 H HA -0.120 4.436 4.556 -0.000 0.000 0.324 61 H C -0.615 174.656 175.328 -0.094 0.000 0.849 61 H CA 0.347 56.268 56.048 -0.212 0.000 1.069 61 H CB -1.552 27.948 29.762 -0.437 0.000 1.560 61 H HN 0.262 nan 8.280 nan 0.000 0.300 62 T N 1.225 115.768 114.554 -0.019 0.000 2.884 62 T HA 0.144 4.494 4.350 0.000 0.000 0.298 62 T C 0.826 175.571 174.700 0.074 0.000 0.998 62 T CA -0.544 61.591 62.100 0.058 0.000 1.124 62 T CB 2.039 70.950 68.868 0.072 0.000 0.931 62 T HN 0.279 nan 8.240 nan 0.000 0.531 63 V N 4.076 124.054 119.914 0.107 0.000 2.599 63 V HA 0.144 4.264 4.120 0.000 0.000 0.300 63 V C -0.111 176.057 176.094 0.124 0.000 1.034 63 V CA 0.509 62.847 62.300 0.063 0.000 1.115 63 V CB 0.608 32.402 31.823 -0.048 0.000 0.934 63 V HN 0.825 nan 8.190 nan 0.000 0.485 64 Q N 4.602 124.492 119.800 0.149 0.000 2.375 64 Q HA 0.672 5.012 4.340 0.000 0.000 0.271 64 Q C -0.469 175.657 176.000 0.209 0.000 1.074 64 Q CA -0.687 55.201 55.803 0.142 0.000 0.808 64 Q CB 2.163 30.958 28.738 0.095 0.000 1.327 64 Q HN 0.948 nan 8.270 nan 0.000 0.441 65 A N 1.640 124.515 122.820 0.091 0.000 2.450 65 A HA 0.389 4.709 4.320 0.000 0.000 0.255 65 A C 0.395 177.956 177.584 -0.038 0.000 1.096 65 A CA -0.084 51.936 52.037 -0.029 0.000 0.778 65 A CB 0.018 18.943 19.000 -0.126 0.000 1.031 65 A HN 0.699 nan 8.150 nan 0.000 0.494 66 T N -0.116 114.383 114.554 -0.091 0.000 2.862 66 T HA 0.346 4.696 4.350 0.000 0.000 0.276 66 T C 0.410 175.076 174.700 -0.057 0.000 0.974 66 T CA -0.140 61.946 62.100 -0.024 0.000 0.966 66 T CB 0.639 69.532 68.868 0.041 0.000 1.072 66 T HN 0.475 nan 8.240 nan 0.000 0.538 67 D N -0.261 120.134 120.400 -0.009 0.000 2.123 67 D HA -0.068 4.572 4.640 0.000 0.000 0.196 67 D C 1.475 177.752 176.300 -0.037 0.000 0.992 67 D CA 1.073 55.060 54.000 -0.022 0.000 0.833 67 D CB -0.519 40.285 40.800 0.007 0.000 0.954 67 D HN 0.593 nan 8.370 nan 0.000 0.455 68 F N 1.388 121.275 119.950 -0.105 0.000 2.161 68 F HA -0.225 4.302 4.527 0.000 0.000 0.300 68 F C 2.030 177.731 175.800 -0.165 0.000 1.089 68 F CA 1.072 59.005 58.000 -0.112 0.000 1.282 68 F CB -0.206 38.736 39.000 -0.096 0.000 1.010 68 F HN -0.188 nan 8.300 nan 0.000 0.485 69 V N 1.019 120.726 119.914 -0.345 0.000 2.358 69 V HA -0.251 3.869 4.120 0.000 0.000 0.246 69 V C 2.525 178.355 176.094 -0.440 0.000 1.047 69 V CA 2.234 64.218 62.300 -0.526 0.000 1.035 69 V CB -0.713 30.739 31.823 -0.618 0.000 0.658 69 V HN 0.281 nan 8.190 nan 0.000 0.452 70 R N 0.055 120.372 120.500 -0.306 0.000 2.062 70 R HA -0.176 4.164 4.340 0.000 0.000 0.231 70 R C 2.462 178.620 176.300 -0.236 0.000 1.136 70 R CA 1.664 57.626 56.100 -0.229 0.000 0.948 70 R CB -0.490 29.717 30.300 -0.154 0.000 0.845 70 R HN 0.671 nan 8.270 nan 0.000 0.430 71 E N 1.225 121.279 120.200 -0.244 0.000 2.130 71 E HA -0.251 4.099 4.350 0.000 0.000 0.196 71 E C 1.922 178.351 176.600 -0.284 0.000 0.998 71 E CA 1.356 57.623 56.400 -0.221 0.000 0.806 71 E CB -0.061 29.529 29.700 -0.183 0.000 0.738 71 E HN 0.211 nan 8.360 nan 0.000 0.459 72 L N 0.681 121.624 121.223 -0.466 0.000 2.109 72 L HA -0.085 4.255 4.340 0.000 0.000 0.207 72 L C 2.314 179.016 176.870 -0.280 0.000 1.086 72 L CA 1.115 55.683 54.840 -0.452 0.000 0.760 72 L CB -0.275 41.337 42.059 -0.744 0.000 0.910 72 L HN 0.019 nan 8.230 nan 0.000 0.437 73 V N -0.277 119.479 119.914 -0.263 0.000 2.427 73 V HA -0.227 3.893 4.120 0.000 0.000 0.248 73 V C 2.643 178.655 176.094 -0.137 0.000 1.051 73 V CA 1.497 63.687 62.300 -0.183 0.000 1.048 73 V CB -0.593 31.122 31.823 -0.179 0.000 0.666 73 V HN 0.517 nan 8.190 nan 0.000 0.456 74 Q N -0.262 119.457 119.800 -0.136 0.000 2.049 74 Q HA -0.137 4.203 4.340 0.000 0.000 0.198 74 Q C 2.376 178.324 176.000 -0.087 0.000 0.971 74 Q CA 1.454 57.199 55.803 -0.098 0.000 0.833 74 Q CB -0.415 28.269 28.738 -0.091 0.000 0.896 74 Q HN 0.534 nan 8.270 nan 0.000 0.434 75 R N 0.407 120.845 120.500 -0.103 0.000 2.073 75 R HA -0.117 4.223 4.340 0.000 0.000 0.234 75 R C 0.046 176.304 176.300 -0.070 0.000 1.134 75 R CA 1.453 57.503 56.100 -0.082 0.000 0.952 75 R CB 0.236 30.480 30.300 -0.094 0.000 0.850 75 R HN 0.051 nan 8.270 nan 0.000 0.433 76 D N -1.562 118.787 120.400 -0.084 0.000 2.714 76 D HA 0.187 4.827 4.640 0.000 0.000 0.264 76 D C -0.021 176.236 176.300 -0.072 0.000 1.231 76 D CA 0.044 54.006 54.000 -0.064 0.000 0.802 76 D CB 1.124 41.894 40.800 -0.051 0.000 1.319 76 D HN 0.202 nan 8.370 nan 0.000 0.528 77 A N 1.573 124.352 122.820 -0.069 0.000 2.024 77 A HA 0.021 4.341 4.320 0.000 0.000 0.220 77 A C 2.148 179.700 177.584 -0.053 0.000 1.164 77 A CA 1.842 53.837 52.037 -0.070 0.000 0.643 77 A CB -0.192 18.770 19.000 -0.062 0.000 0.806 77 A HN 0.506 nan 8.150 nan 0.000 0.451 78 A N 0.161 122.957 122.820 -0.039 0.000 1.898 78 A HA 0.007 4.327 4.320 0.000 0.000 0.216 78 A C 2.197 179.766 177.584 -0.026 0.000 1.181 78 A CA 1.531 53.551 52.037 -0.027 0.000 0.620 78 A CB -0.617 18.371 19.000 -0.019 0.000 0.819 78 A HN 1.061 nan 8.150 nan 0.000 0.442 79 L N -2.032 119.175 121.223 -0.027 0.000 2.131 79 L HA 0.208 4.548 4.340 0.000 0.000 0.206 79 L C 2.437 179.294 176.870 -0.022 0.000 1.087 79 L CA 1.617 56.446 54.840 -0.018 0.000 0.767 79 L CB -0.524 41.528 42.059 -0.012 0.000 0.917 79 L HN 0.224 nan 8.230 nan 0.000 0.441 80 A N 0.747 123.541 122.820 -0.043 0.000 1.917 80 A HA -0.229 4.091 4.320 0.000 0.000 0.219 80 A C 2.385 179.947 177.584 -0.038 0.000 1.182 80 A CA 2.345 54.351 52.037 -0.052 0.000 0.633 80 A CB -1.041 17.904 19.000 -0.093 0.000 0.819 80 A HN 0.578 nan 8.150 nan 0.000 0.448 81 L N -1.079 120.120 121.223 -0.041 0.000 2.072 81 L HA -0.135 4.205 4.340 0.000 0.000 0.205 81 L C 2.836 179.693 176.870 -0.022 0.000 1.079 81 L CA 1.811 56.629 54.840 -0.037 0.000 0.752 81 L CB -0.389 41.646 42.059 -0.039 0.000 0.906 81 L HN 0.603 nan 8.230 nan 0.000 0.436 82 R N -0.518 119.973 120.500 -0.016 0.000 2.075 82 R HA -0.139 4.201 4.340 0.000 0.000 0.232 82 R C 2.057 178.357 176.300 -0.001 0.000 1.126 82 R CA 1.731 57.827 56.100 -0.008 0.000 0.963 82 R CB -0.332 29.965 30.300 -0.005 0.000 0.858 82 R HN 0.188 nan 8.270 nan 0.000 0.435 83 V N 0.965 120.881 119.914 0.004 0.000 2.287 83 V HA -0.259 3.861 4.120 0.000 0.000 0.248 83 V C 2.256 178.361 176.094 0.017 0.000 1.053 83 V CA 2.414 64.725 62.300 0.017 0.000 1.027 83 V CB -0.713 31.129 31.823 0.031 0.000 0.646 83 V HN 0.501 nan 8.190 nan 0.000 0.447 84 T N 0.233 114.793 114.554 0.009 0.000 2.746 84 T HA -0.131 4.219 4.350 0.000 0.000 0.267 84 T C 1.842 176.541 174.700 -0.002 0.000 1.039 84 T CA 1.391 63.495 62.100 0.007 0.000 1.142 84 T CB -0.288 68.576 68.868 -0.008 0.000 0.866 84 T HN 0.178 nan 8.240 nan 0.000 0.444 85 L N 1.288 122.506 121.223 -0.008 0.000 2.056 85 L HA -0.020 4.320 4.340 0.000 0.000 0.207 85 L C 2.220 179.088 176.870 -0.003 0.000 1.078 85 L CA 1.533 56.367 54.840 -0.010 0.000 0.749 85 L CB -0.810 41.242 42.059 -0.013 0.000 0.901 85 L HN 0.119 nan 8.230 nan 0.000 0.433 86 D N -0.826 119.575 120.400 0.001 0.000 2.123 86 D HA -0.164 4.476 4.640 0.000 0.000 0.196 86 D C 2.378 178.682 176.300 0.006 0.000 0.992 86 D CA 1.229 55.232 54.000 0.004 0.000 0.833 86 D CB -0.189 40.615 40.800 0.008 0.000 0.954 86 D HN 0.116 nan 8.370 nan 0.000 0.455 87 V N 0.275 120.195 119.914 0.009 0.000 2.379 87 V HA -0.176 3.944 4.120 0.000 0.000 0.245 87 V C 2.608 178.705 176.094 0.004 0.000 1.044 87 V CA 0.864 63.170 62.300 0.010 0.000 1.036 87 V CB -0.350 31.484 31.823 0.019 0.000 0.664 87 V HN 0.056 nan 8.190 nan 0.000 0.453 88 V N 0.099 120.014 119.914 0.002 0.000 2.255 88 V HA -0.316 3.804 4.120 0.000 0.000 0.247 88 V C 2.585 178.679 176.094 0.000 0.000 1.051 88 V CA 2.366 64.665 62.300 -0.001 0.000 1.018 88 V CB -0.783 31.035 31.823 -0.007 0.000 0.641 88 V HN 0.458 nan 8.190 nan 0.000 0.445 89 R N 0.209 120.709 120.500 -0.000 0.000 2.096 89 R HA -0.077 4.263 4.340 0.000 0.000 0.235 89 R C 2.386 178.687 176.300 0.002 0.000 1.127 89 R CA 1.382 57.483 56.100 0.001 0.000 0.968 89 R CB -0.802 29.498 30.300 -0.000 0.000 0.861 89 R HN 0.591 nan 8.270 nan 0.000 0.440 90 G N -0.057 108.744 108.800 0.002 0.000 2.484 90 G HA2 -0.221 3.739 3.960 0.000 0.000 0.218 90 G HA3 -0.221 3.739 3.960 0.000 0.000 0.218 90 G C 0.136 175.036 174.900 -0.000 0.000 1.130 90 G CA 0.224 45.325 45.100 0.001 0.000 0.784 90 G HN 0.393 nan 8.290 nan 0.000 0.543 91 Q N -1.775 118.026 119.800 0.000 0.000 2.481 91 Q HA -0.236 4.104 4.340 0.000 0.000 0.272 91 Q C 1.313 177.308 176.000 -0.007 0.000 1.157 91 Q CA 0.698 56.501 55.803 0.000 0.000 0.935 91 Q CB -1.107 27.634 28.738 0.004 0.000 1.338 91 Q HN 0.427 nan 8.270 nan 0.000 0.494 92 R N 0.152 120.644 120.500 -0.013 0.000 2.280 92 R HA 0.255 4.595 4.340 0.000 0.000 0.195 92 R C 0.561 176.835 176.300 -0.044 0.000 0.935 92 R CA 0.833 56.916 56.100 -0.029 0.000 1.033 92 R CB 0.654 30.939 30.300 -0.026 0.000 0.964 92 R HN 0.349 nan 8.270 nan 0.000 0.489 93 A N 1.283 124.087 122.820 -0.026 0.000 2.404 93 A HA 0.276 4.596 4.320 0.000 0.000 0.273 93 A C -1.658 175.920 177.584 -0.009 0.000 1.144 93 A CA -1.211 50.812 52.037 -0.023 0.000 0.806 93 A CB 0.302 19.297 19.000 -0.008 0.000 1.080 93 A HN 0.039 nan 8.150 nan 0.000 0.509 94 P HA -0.098 nan 4.420 nan 0.000 0.216 94 P C 0.034 177.372 177.300 0.062 0.000 1.150 94 P CA 1.434 64.556 63.100 0.037 0.000 0.837 94 P CB 0.170 31.947 31.700 0.128 0.000 0.786 95 K N -1.832 118.609 120.400 0.068 0.000 2.371 95 K HA 0.572 4.892 4.320 0.000 0.000 0.251 95 K C 0.559 177.192 176.600 0.055 0.000 0.934 95 K CA -0.513 55.818 56.287 0.072 0.000 0.798 95 K CB 1.983 34.538 32.500 0.092 0.000 1.204 95 K HN -0.281 nan 8.250 nan 0.000 0.427 96 A N 1.906 124.768 122.820 0.070 0.000 2.066 96 A HA -0.118 4.202 4.320 0.000 0.000 0.218 96 A C 0.998 178.622 177.584 0.068 0.000 1.157 96 A CA 1.383 53.456 52.037 0.060 0.000 0.670 96 A CB -0.388 18.651 19.000 0.065 0.000 0.804 96 A HN 0.843 nan 8.150 nan 0.000 0.453 97 D N 0.652 121.126 120.400 0.122 0.000 2.160 97 D HA -0.174 4.466 4.640 0.000 0.000 0.189 97 D C -0.565 175.711 176.300 -0.040 0.000 1.003 97 D CA 2.136 56.221 54.000 0.143 0.000 0.846 97 D CB -1.670 39.288 40.800 0.263 0.000 0.949 97 D HN 0.338 nan 8.370 nan 0.000 0.446 98 P HA -0.037 nan 4.420 nan 0.000 0.217 98 P C 1.114 178.370 177.300 -0.073 0.000 1.150 98 P CA 1.905 64.902 63.100 -0.172 0.000 0.832 98 P CB -0.069 31.443 31.700 -0.314 0.000 0.787 99 A N -0.708 122.087 122.820 -0.042 0.000 1.929 99 A HA -0.105 4.215 4.320 0.000 0.000 0.216 99 A C 2.169 179.731 177.584 -0.037 0.000 1.176 99 A CA 1.152 53.179 52.037 -0.017 0.000 0.628 99 A CB -1.563 17.435 19.000 -0.004 0.000 0.816 99 A HN 0.101 nan 8.150 nan 0.000 0.444 100 L N -0.937 120.266 121.223 -0.033 0.000 2.046 100 L HA -0.157 4.183 4.340 0.000 0.000 0.208 100 L C 2.549 179.347 176.870 -0.121 0.000 1.077 100 L CA 1.141 56.006 54.840 0.043 0.000 0.747 100 L CB -0.530 41.612 42.059 0.139 0.000 0.896 100 L HN 0.489 nan 8.230 nan 0.000 0.432 101 L N -0.536 120.360 121.223 -0.545 0.000 2.027 101 L HA -0.118 4.222 4.340 0.000 0.000 0.206 101 L C 2.360 178.988 176.870 -0.403 0.000 1.074 101 L CA 1.648 55.926 54.840 -0.936 0.000 0.745 101 L CB -0.486 40.864 42.059 -1.182 0.000 0.898 101 L HN -0.100 nan 8.230 nan 0.000 0.433 102 V N -0.317 119.471 119.914 -0.209 0.000 2.343 102 V HA -0.279 3.841 4.120 0.000 0.000 0.247 102 V C 2.593 178.609 176.094 -0.131 0.000 1.051 102 V CA 1.839 64.061 62.300 -0.129 0.000 1.036 102 V CB -0.680 31.124 31.823 -0.032 0.000 0.654 102 V HN 0.510 nan 8.190 nan 0.000 0.451 103 L N 0.569 121.737 121.223 -0.091 0.000 2.042 103 L HA -0.132 4.208 4.340 0.000 0.000 0.210 103 L C 2.494 179.319 176.870 -0.076 0.000 1.076 103 L CA 2.320 57.123 54.840 -0.061 0.000 0.749 103 L CB -0.849 41.207 42.059 -0.004 0.000 0.893 103 L HN 0.249 nan 8.230 nan 0.000 0.432 104 A N -0.633 122.121 122.820 -0.111 0.000 1.883 104 A HA -0.214 4.106 4.320 0.000 0.000 0.217 104 A C 2.260 179.674 177.584 -0.284 0.000 1.186 104 A CA 2.124 53.941 52.037 -0.365 0.000 0.624 104 A CB -0.949 17.703 19.000 -0.580 0.000 0.822 104 A HN 0.485 nan 8.150 nan 0.000 0.444 105 L N -0.602 120.484 121.223 -0.228 0.000 2.012 105 L HA -0.215 4.125 4.340 0.000 0.000 0.210 105 L C 2.550 179.326 176.870 -0.157 0.000 1.073 105 L CA 1.524 56.254 54.840 -0.184 0.000 0.748 105 L CB -0.568 41.382 42.059 -0.182 0.000 0.891 105 L HN 0.410 nan 8.230 nan 0.000 0.431 106 I N -0.185 120.291 120.570 -0.156 0.000 2.113 106 I HA -0.300 3.870 4.170 0.000 0.000 0.238 106 I C 2.839 178.872 176.117 -0.140 0.000 1.070 106 I CA 1.296 62.517 61.300 -0.132 0.000 1.332 106 I CB -0.632 37.296 38.000 -0.121 0.000 1.044 106 I HN 0.200 nan 8.210 nan 0.000 0.402 107 A N 0.544 123.223 122.820 -0.236 0.000 1.948 107 A HA -0.202 4.118 4.320 0.000 0.000 0.220 107 A C 2.263 179.773 177.584 -0.124 0.000 1.177 107 A CA 1.733 53.549 52.037 -0.369 0.000 0.636 107 A CB -0.288 18.136 19.000 -0.960 0.000 0.815 107 A HN 0.282 nan 8.150 nan 0.000 0.449 108 K N -1.461 118.865 120.400 -0.123 0.000 2.308 108 K HA 0.026 4.346 4.320 0.000 0.000 0.197 108 K C 1.467 178.061 176.600 -0.011 0.000 1.049 108 K CA 1.547 57.821 56.287 -0.022 0.000 0.991 108 K CB 0.025 32.475 32.500 -0.083 0.000 0.836 108 K HN 0.671 nan 8.250 nan 0.000 0.500 109 T N -2.742 111.784 114.554 -0.046 0.000 3.087 109 T HA 0.384 4.734 4.350 0.000 0.000 0.283 109 T C 0.482 175.157 174.700 -0.042 0.000 0.956 109 T CA -0.312 61.765 62.100 -0.039 0.000 0.894 109 T CB 0.281 69.115 68.868 -0.057 0.000 1.160 109 T HN 0.014 nan 8.240 nan 0.000 0.532 110 A N 2.909 125.704 122.820 -0.043 0.000 2.520 110 A HA 0.527 4.847 4.320 0.000 0.000 0.245 110 A C -0.926 176.646 177.584 -0.019 0.000 1.072 110 A CA -1.061 50.951 52.037 -0.041 0.000 0.761 110 A CB 0.211 19.186 19.000 -0.041 0.000 1.004 110 A HN 0.220 nan 8.150 nan 0.000 0.499 111 P HA -0.124 nan 4.420 nan 0.000 0.216 111 P C -0.022 177.277 177.300 -0.002 0.000 1.150 111 P CA 1.258 64.350 63.100 -0.014 0.000 0.837 111 P CB -0.036 31.651 31.700 -0.021 0.000 0.786 112 N N -1.260 117.438 118.700 -0.002 0.000 2.509 112 N HA 0.354 5.094 4.740 0.000 0.000 0.287 112 N C 0.916 176.439 175.510 0.021 0.000 1.121 112 N CA -0.292 52.761 53.050 0.006 0.000 0.977 112 N CB 1.096 39.584 38.487 0.001 0.000 1.167 112 N HN -0.143 nan 8.380 nan 0.000 0.476 113 A N 1.390 124.226 122.820 0.026 0.000 1.970 113 A HA 0.014 4.334 4.320 0.000 0.000 0.216 113 A C 2.074 179.686 177.584 0.048 0.000 1.170 113 A CA 1.315 53.377 52.037 0.042 0.000 0.645 113 A CB -0.634 18.387 19.000 0.034 0.000 0.816 113 A HN 0.755 nan 8.150 nan 0.000 0.447 114 A N -0.015 122.825 122.820 0.033 0.000 1.969 114 A HA -0.130 4.190 4.320 0.000 0.000 0.218 114 A C 1.717 179.321 177.584 0.034 0.000 1.169 114 A CA 1.764 53.820 52.037 0.032 0.000 0.635 114 A CB -0.359 18.652 19.000 0.019 0.000 0.810 114 A HN 0.446 nan 8.150 nan 0.000 0.445 115 D N -0.455 119.960 120.400 0.025 0.000 2.120 115 D HA -0.056 4.584 4.640 0.000 0.000 0.202 115 D C 2.195 178.509 176.300 0.023 0.000 0.972 115 D CA 0.842 54.849 54.000 0.011 0.000 0.837 115 D CB -0.371 40.425 40.800 -0.008 0.000 0.989 115 D HN 0.375 nan 8.370 nan 0.000 0.469 116 R N 0.883 121.413 120.500 0.049 0.000 2.117 116 R HA -0.111 4.229 4.340 0.000 0.000 0.243 116 R C 2.192 178.627 176.300 0.225 0.000 1.143 116 R CA 1.059 57.221 56.100 0.103 0.000 0.968 116 R CB -0.052 30.339 30.300 0.151 0.000 0.863 116 R HN 0.202 nan 8.270 nan 0.000 0.444 117 K N 0.026 120.538 120.400 0.188 0.000 2.062 117 K HA -0.009 4.311 4.320 0.000 0.000 0.205 117 K C 2.162 178.861 176.600 0.165 0.000 1.051 117 K CA 1.082 57.495 56.287 0.210 0.000 0.941 117 K CB -0.038 32.529 32.500 0.113 0.000 0.719 117 K HN 0.127 nan 8.250 nan 0.000 0.440 118 A N 1.566 124.438 122.820 0.087 0.000 1.930 118 A HA -0.092 4.228 4.320 0.000 0.000 0.217 118 A C 2.343 179.940 177.584 0.022 0.000 1.175 118 A CA 1.730 53.794 52.037 0.046 0.000 0.627 118 A CB -0.580 18.431 19.000 0.019 0.000 0.815 118 A HN 0.318 nan 8.150 nan 0.000 0.443 119 A N -0.975 121.836 122.820 -0.015 0.000 1.865 119 A HA -0.184 4.136 4.320 0.000 0.000 0.217 119 A C 1.995 179.500 177.584 -0.133 0.000 1.191 119 A CA 1.449 53.418 52.037 -0.115 0.000 0.623 119 A CB -1.081 17.796 19.000 -0.206 0.000 0.826 119 A HN 0.739 nan 8.150 nan 0.000 0.444 120 W N 0.352 121.634 121.300 -0.030 0.000 2.321 120 W HA -0.188 4.471 4.660 -0.001 0.000 0.306 120 W C 1.837 178.309 176.519 -0.079 0.000 1.217 120 W CA 1.128 58.438 57.345 -0.060 0.000 1.257 120 W CB -0.261 29.180 29.460 -0.032 0.000 1.145 120 W HN 0.328 nan 8.180 nan 0.000 0.509 121 D N -0.409 120.096 120.400 0.174 0.000 2.218 121 D HA -0.128 4.512 4.640 0.000 0.000 0.204 121 D C 2.058 178.371 176.300 0.022 0.000 0.976 121 D CA 1.608 55.658 54.000 0.083 0.000 0.853 121 D CB -0.578 40.258 40.800 0.060 0.000 0.939 121 D HN 0.171 nan 8.370 nan 0.000 0.481 122 A N 0.127 122.939 122.820 -0.013 0.000 2.132 122 A HA 0.022 4.342 4.320 0.000 0.000 0.213 122 A C 1.980 179.503 177.584 -0.100 0.000 1.154 122 A CA 0.046 52.053 52.037 -0.051 0.000 0.753 122 A CB -0.274 18.691 19.000 -0.059 0.000 0.826 122 A HN 0.171 nan 8.150 nan 0.000 0.469 123 L N 0.800 121.935 121.223 -0.147 0.000 2.021 123 L HA -0.103 4.237 4.340 0.000 0.000 0.215 123 L C -0.847 175.912 176.870 -0.185 0.000 1.074 123 L CA 2.529 57.202 54.840 -0.278 0.000 0.760 123 L CB -1.118 40.709 42.059 -0.387 0.000 0.889 123 L HN 0.170 nan 8.230 nan 0.000 0.433 124 P HA -0.185 nan 4.420 nan 0.000 0.218 124 P C 1.419 178.690 177.300 -0.048 0.000 1.148 124 P CA 1.479 64.539 63.100 -0.068 0.000 0.822 124 P CB 0.037 31.708 31.700 -0.049 0.000 0.784 125 E N -0.508 119.661 120.200 -0.052 0.000 2.046 125 E HA -0.099 4.251 4.350 0.000 0.000 0.190 125 E C 1.764 178.341 176.600 -0.039 0.000 0.982 125 E CA 0.993 57.372 56.400 -0.035 0.000 0.800 125 E CB -0.186 29.495 29.700 -0.032 0.000 0.756 125 E HN -0.050 nan 8.360 nan 0.000 0.449 126 V N 1.083 120.956 119.914 -0.069 0.000 2.488 126 V HA -0.048 4.072 4.120 0.000 0.000 0.246 126 V C 1.403 177.456 176.094 -0.067 0.000 1.046 126 V CA 1.263 63.523 62.300 -0.067 0.000 1.053 126 V CB -0.170 31.600 31.823 -0.088 0.000 0.679 126 V HN 0.304 nan 8.190 nan 0.000 0.458 127 A N 0.485 123.241 122.820 -0.107 0.000 3.091 127 A HA 0.228 4.548 4.320 0.000 0.000 0.264 127 A C 1.590 179.163 177.584 -0.018 0.000 1.673 127 A CA -0.215 51.765 52.037 -0.094 0.000 1.362 127 A CB -0.538 18.359 19.000 -0.172 0.000 1.137 127 A HN 0.472 nan 8.150 nan 0.000 0.617 128 R N 0.416 120.912 120.500 -0.007 0.000 2.073 128 R HA -0.069 4.271 4.340 0.000 0.000 0.234 128 R C 1.180 177.546 176.300 0.110 0.000 1.134 128 R CA 1.665 57.798 56.100 0.054 0.000 0.952 128 R CB -0.445 29.874 30.300 0.032 0.000 0.850 128 R HN 0.706 nan 8.270 nan 0.000 0.433 129 T N -3.492 110.983 114.554 -0.133 0.000 2.952 129 T HA 0.401 4.751 4.350 0.000 0.000 0.286 129 T C 1.405 175.410 174.700 -1.158 0.000 1.024 129 T CA -0.457 61.329 62.100 -0.524 0.000 1.029 129 T CB 2.004 70.439 68.868 -0.721 0.000 1.094 129 T HN 0.128 nan 8.240 nan 0.000 0.515 130 G N 0.749 108.122 108.800 -2.379 0.000 2.469 130 G HA2 -0.208 3.752 3.960 0.000 0.000 0.219 130 G HA3 -0.208 3.752 3.960 0.000 0.000 0.219 130 G C 1.399 175.693 174.900 -1.009 0.000 1.150 130 G CA 1.442 45.168 45.100 -2.290 0.000 0.763 130 G HN 0.809 nan 8.290 nan 0.000 0.561 131 T N 1.302 115.364 114.554 -0.819 0.000 2.720 131 T HA -0.116 4.234 4.350 0.000 0.000 0.268 131 T C 2.507 177.081 174.700 -0.211 0.000 1.037 131 T CA 1.520 63.437 62.100 -0.305 0.000 1.144 131 T CB -0.219 68.564 68.868 -0.141 0.000 0.864 131 T HN 0.232 nan 8.240 nan 0.000 0.444 132 M N 0.254 119.698 119.600 -0.258 0.000 2.159 132 M HA 0.003 4.483 4.480 0.000 0.000 0.263 132 M C 2.269 178.540 176.300 -0.047 0.000 1.063 132 M CA 1.108 56.364 55.300 -0.074 0.000 1.110 132 M CB -0.451 32.099 32.600 -0.083 0.000 1.374 132 M HN 0.168 nan 8.290 nan 0.000 0.411 133 L N 0.696 121.804 121.223 -0.191 0.000 2.056 133 L HA -0.121 4.219 4.340 0.000 0.000 0.207 133 L C 1.986 178.845 176.870 -0.018 0.000 1.078 133 L CA 1.793 56.565 54.840 -0.115 0.000 0.749 133 L CB -0.450 41.488 42.059 -0.201 0.000 0.901 133 L HN 0.245 nan 8.230 nan 0.000 0.433 134 L N -1.411 119.777 121.223 -0.058 0.000 2.217 134 L HA -0.195 4.145 4.340 0.000 0.000 0.211 134 L C 2.530 179.396 176.870 -0.008 0.000 1.107 134 L CA 1.321 56.157 54.840 -0.006 0.000 0.783 134 L CB -0.793 41.309 42.059 0.071 0.000 0.919 134 L HN 0.485 nan 8.230 nan 0.000 0.442 135 H N -0.438 118.567 119.070 -0.107 0.000 2.363 135 H HA -0.209 4.347 4.556 0.000 0.000 0.301 135 H C 2.276 177.484 175.328 -0.201 0.000 1.074 135 H CA 1.346 57.284 56.048 -0.184 0.000 1.354 135 H CB 0.177 29.873 29.762 -0.110 0.000 1.397 135 H HN 0.281 nan 8.280 nan 0.000 0.516 136 F N 1.385 121.269 119.950 -0.111 0.000 2.126 136 F HA -0.216 4.311 4.527 -0.000 0.000 0.299 136 F C 1.976 177.670 175.800 -0.178 0.000 1.096 136 F CA 1.263 59.214 58.000 -0.081 0.000 1.255 136 F CB -0.439 38.494 39.000 -0.112 0.000 0.997 136 F HN 0.068 nan 8.300 nan 0.000 0.479 137 L N 0.163 121.224 121.223 -0.271 0.000 2.083 137 L HA -0.188 4.152 4.340 0.000 0.000 0.209 137 L C 2.850 179.357 176.870 -0.605 0.000 1.083 137 L CA 1.056 55.500 54.840 -0.659 0.000 0.752 137 L CB -1.223 40.152 42.059 -1.141 0.000 0.899 137 L HN 0.306 nan 8.230 nan 0.000 0.433 138 A N -0.167 122.413 122.820 -0.400 0.000 1.933 138 A HA -0.196 4.124 4.320 0.000 0.000 0.218 138 A C 1.966 179.446 177.584 -0.173 0.000 1.175 138 A CA 1.474 53.449 52.037 -0.102 0.000 0.628 138 A CB -0.605 18.349 19.000 -0.077 0.000 0.814 138 A HN 0.293 nan 8.150 nan 0.000 0.444 139 F N -0.099 119.724 119.950 -0.213 0.000 2.163 139 F HA 0.059 4.586 4.527 0.000 0.000 0.297 139 F C 2.750 178.357 175.800 -0.322 0.000 1.094 139 F CA 0.560 58.402 58.000 -0.262 0.000 1.290 139 F CB -0.803 37.981 39.000 -0.361 0.000 1.017 139 F HN 0.243 nan 8.300 nan 0.000 0.483 140 A N 0.420 123.037 122.820 -0.339 0.000 1.968 140 A HA -0.160 4.160 4.320 0.000 0.000 0.217 140 A C 1.723 179.215 177.584 -0.153 0.000 1.169 140 A CA 1.603 53.409 52.037 -0.385 0.000 0.638 140 A CB -0.938 17.647 19.000 -0.692 0.000 0.812 140 A HN 0.430 nan 8.150 nan 0.000 0.446 141 D N 0.071 120.446 120.400 -0.041 0.000 2.378 141 D HA 0.121 4.761 4.640 0.000 0.000 0.222 141 D C 1.099 177.466 176.300 0.110 0.000 0.980 141 D CA 1.041 55.123 54.000 0.137 0.000 0.907 141 D CB -0.254 40.804 40.800 0.430 0.000 0.899 141 D HN 0.314 nan 8.370 nan 0.000 0.527 142 A N -0.292 122.563 122.820 0.058 0.000 2.415 142 A HA 0.416 4.736 4.320 0.000 0.000 0.248 142 A C 1.425 179.020 177.584 0.019 0.000 1.299 142 A CA -0.260 51.808 52.037 0.051 0.000 0.899 142 A CB -0.336 18.698 19.000 0.057 0.000 0.997 142 A HN 0.310 nan 8.150 nan 0.000 0.506 143 L N -2.204 119.018 121.223 -0.001 0.000 3.174 143 L HA 0.466 4.806 4.340 0.000 0.000 0.283 143 L C 0.813 177.681 176.870 -0.003 0.000 1.187 143 L CA 0.295 55.123 54.840 -0.020 0.000 1.018 143 L CB 0.818 42.838 42.059 -0.065 0.000 1.433 143 L HN 0.405 nan 8.230 nan 0.000 0.593 144 G N -0.561 108.248 108.800 0.016 0.000 2.325 144 G HA2 0.399 4.359 3.960 0.000 0.000 0.297 144 G HA3 0.399 4.359 3.960 0.000 0.000 0.297 144 G C -1.020 173.912 174.900 0.053 0.000 1.448 144 G CA -0.167 44.954 45.100 0.035 0.000 0.838 144 G HN -0.005 nan 8.290 nan 0.000 0.579 145 G N -1.603 107.249 108.800 0.087 0.000 2.531 145 G HA2 0.479 4.439 3.960 0.000 0.000 0.281 145 G HA3 0.479 4.439 3.960 0.000 0.000 0.281 145 G C -0.897 174.079 174.900 0.126 0.000 1.382 145 G CA -0.760 44.439 45.100 0.166 0.000 1.045 145 G HN 0.558 nan 8.290 nan 0.000 0.533 146 W N 1.137 122.496 121.300 0.099 0.000 1.738 146 W HA 0.503 5.163 4.660 0.000 0.000 0.399 146 W C 0.993 177.537 176.519 0.042 0.000 0.744 146 W CA -0.417 56.976 57.345 0.080 0.000 1.695 146 W CB 0.272 29.788 29.460 0.093 0.000 1.820 146 W HN 0.661 nan 8.180 nan 0.000 0.262 147 G N 0.487 109.367 108.800 0.133 0.000 2.611 147 G HA2 0.329 4.289 3.960 0.000 0.000 0.273 147 G HA3 0.329 4.289 3.960 0.000 0.000 0.273 147 G C 1.227 176.146 174.900 0.032 0.000 1.305 147 G CA 0.008 45.156 45.100 0.079 0.000 1.010 147 G HN 0.412 nan 8.290 nan 0.000 0.509 148 R N -0.887 119.617 120.500 0.006 0.000 2.091 148 R HA 0.017 4.357 4.340 0.000 0.000 0.238 148 R C 2.556 178.775 176.300 -0.135 0.000 1.136 148 R CA 1.850 57.934 56.100 -0.027 0.000 0.959 148 R CB -1.398 28.893 30.300 -0.015 0.000 0.856 148 R HN 0.512 nan 8.270 nan 0.000 0.437 149 L N 0.480 121.588 121.223 -0.191 0.000 2.046 149 L HA -0.171 4.169 4.340 0.000 0.000 0.208 149 L C 2.712 179.032 176.870 -0.916 0.000 1.077 149 L CA 2.290 56.883 54.840 -0.411 0.000 0.747 149 L CB -0.614 41.294 42.059 -0.252 0.000 0.896 149 L HN 0.439 nan 8.230 nan 0.000 0.432 150 T N -0.955 113.171 114.554 -0.713 0.000 2.701 150 T HA -0.161 4.189 4.350 0.000 0.000 0.263 150 T C 1.999 176.343 174.700 -0.593 0.000 1.040 150 T CA 1.058 62.578 62.100 -0.967 0.000 1.147 150 T CB -0.120 68.436 68.868 -0.520 0.000 0.865 150 T HN 0.260 nan 8.240 nan 0.000 0.426 151 R N 0.607 121.057 120.500 -0.083 0.000 2.097 151 R HA -0.042 4.298 4.340 0.000 0.000 0.236 151 R C 2.798 179.108 176.300 0.017 0.000 1.135 151 R CA 1.252 57.470 56.100 0.196 0.000 0.934 151 R CB -0.170 30.266 30.300 0.228 0.000 0.846 151 R HN 0.111 nan 8.270 nan 0.000 0.431 152 R N -0.118 120.316 120.500 -0.111 0.000 2.083 152 R HA -0.081 4.259 4.340 0.000 0.000 0.237 152 R C 2.337 178.541 176.300 -0.160 0.000 1.137 152 R CA 1.736 57.773 56.100 -0.106 0.000 0.951 152 R CB -1.321 28.908 30.300 -0.119 0.000 0.851 152 R HN 0.446 nan 8.270 nan 0.000 0.434 153 G N 0.167 108.703 108.800 -0.441 0.000 2.440 153 G HA2 -0.209 3.751 3.960 0.000 0.000 0.218 153 G HA3 -0.209 3.751 3.960 0.000 0.000 0.218 153 G C 1.586 176.475 174.900 -0.019 0.000 1.154 153 G CA 1.026 45.927 45.100 -0.332 0.000 0.767 153 G HN 0.218 nan 8.290 nan 0.000 0.552 154 V N 1.446 121.327 119.914 -0.056 0.000 2.323 154 V HA -0.058 4.062 4.120 0.000 0.000 0.244 154 V C 3.320 179.560 176.094 0.243 0.000 1.041 154 V CA 1.855 64.270 62.300 0.191 0.000 1.025 154 V CB -0.883 31.146 31.823 0.343 0.000 0.656 154 V HN 0.470 nan 8.190 nan 0.000 0.451 155 A N 0.725 123.684 122.820 0.231 0.000 1.908 155 A HA -0.319 4.001 4.320 0.000 0.000 0.218 155 A C 2.061 179.755 177.584 0.184 0.000 1.181 155 A CA 2.425 54.616 52.037 0.257 0.000 0.627 155 A CB -0.944 18.156 19.000 0.167 0.000 0.818 155 A HN 0.615 nan 8.150 nan 0.000 0.445 156 N N -0.020 118.736 118.700 0.093 0.000 2.205 156 N HA -0.128 4.612 4.740 0.000 0.000 0.186 156 N C 1.388 176.911 175.510 0.022 0.000 1.015 156 N CA 1.652 54.733 53.050 0.052 0.000 0.862 156 N CB -0.368 38.139 38.487 0.032 0.000 0.986 156 N HN 0.186 nan 8.380 nan 0.000 0.429 157 V N -0.103 119.805 119.914 -0.010 0.000 2.287 157 V HA -0.249 3.871 4.120 0.000 0.000 0.248 157 V C 1.566 177.539 176.094 -0.203 0.000 1.053 157 V CA 1.698 63.917 62.300 -0.134 0.000 1.027 157 V CB -0.846 30.842 31.823 -0.225 0.000 0.646 157 V HN 0.334 nan 8.190 nan 0.000 0.447 158 Y N 0.452 120.765 120.300 0.021 0.000 2.263 158 Y HA -0.085 4.465 4.550 -0.000 0.000 0.292 158 Y C 2.498 178.364 175.900 -0.056 0.000 1.130 158 Y CA 1.175 59.254 58.100 -0.035 0.000 1.179 158 Y CB -0.349 38.134 38.460 0.039 0.000 0.998 158 Y HN 0.312 nan 8.280 nan 0.000 0.532 159 E N -0.911 119.365 120.200 0.126 0.000 2.347 159 E HA -0.098 4.252 4.350 0.000 0.000 0.196 159 E C 1.542 178.147 176.600 0.009 0.000 1.008 159 E CA 1.294 57.732 56.400 0.063 0.000 0.852 159 E CB -0.079 29.660 29.700 0.064 0.000 0.783 159 E HN 0.338 nan 8.360 nan 0.000 0.505 160 T N 0.288 114.829 114.554 -0.022 0.000 3.057 160 T HA 0.176 4.526 4.350 0.000 0.000 0.254 160 T C 0.490 175.141 174.700 -0.083 0.000 1.094 160 T CA 0.228 62.301 62.100 -0.045 0.000 1.088 160 T CB 0.355 69.195 68.868 -0.047 0.000 0.934 160 T HN 0.088 nan 8.240 nan 0.000 0.497 161 A N 2.963 125.704 122.820 -0.132 0.000 2.331 161 A HA 0.476 4.796 4.320 0.000 0.000 0.283 161 A C 0.282 177.781 177.584 -0.142 0.000 1.142 161 A CA -0.861 51.053 52.037 -0.205 0.000 0.812 161 A CB 0.284 19.029 19.000 -0.425 0.000 1.074 161 A HN 0.387 nan 8.150 nan 0.000 0.497 162 D N 1.658 121.985 120.400 -0.121 0.000 2.360 162 D HA -0.034 4.606 4.640 0.000 0.000 0.242 162 D C 1.118 177.371 176.300 -0.078 0.000 1.184 162 D CA -0.109 53.845 54.000 -0.076 0.000 0.930 162 D CB 1.076 41.845 40.800 -0.051 0.000 1.161 162 D HN 0.281 nan 8.370 nan 0.000 0.447 163 V N 1.018 120.905 119.914 -0.045 0.000 2.688 163 V HA -0.221 3.899 4.120 0.000 0.000 0.256 163 V C 1.274 177.351 176.094 -0.029 0.000 1.084 163 V CA 2.171 64.452 62.300 -0.032 0.000 1.103 163 V CB -0.453 31.360 31.823 -0.016 0.000 0.688 163 V HN 0.482 nan 8.190 nan 0.000 0.480 164 D N -0.343 120.040 120.400 -0.028 0.000 2.137 164 D HA -0.135 4.505 4.640 0.000 0.000 0.202 164 D C 2.047 178.342 176.300 -0.009 0.000 0.970 164 D CA 1.371 55.367 54.000 -0.007 0.000 0.837 164 D CB -0.148 40.654 40.800 0.003 0.000 0.981 164 D HN 0.514 nan 8.370 nan 0.000 0.475 165 K N 1.090 121.450 120.400 -0.067 0.000 2.097 165 K HA -0.058 4.262 4.320 0.000 0.000 0.205 165 K C 2.281 178.721 176.600 -0.268 0.000 1.050 165 K CA 0.495 56.698 56.287 -0.139 0.000 0.938 165 K CB -0.029 32.317 32.500 -0.256 0.000 0.718 165 K HN 0.066 nan 8.250 nan 0.000 0.442 166 L N 0.616 121.703 121.223 -0.227 0.000 2.046 166 L HA -0.140 4.200 4.340 0.000 0.000 0.208 166 L C 2.690 179.602 176.870 0.068 0.000 1.077 166 L CA 1.268 56.029 54.840 -0.131 0.000 0.747 166 L CB -0.598 41.427 42.059 -0.056 0.000 0.896 166 L HN 0.307 nan 8.230 nan 0.000 0.432 167 A N -0.039 122.809 122.820 0.046 0.000 1.933 167 A HA -0.229 4.091 4.320 0.000 0.000 0.218 167 A C 2.192 179.838 177.584 0.103 0.000 1.175 167 A CA 1.582 53.656 52.037 0.060 0.000 0.628 167 A CB -0.630 18.379 19.000 0.015 0.000 0.814 167 A HN 0.336 nan 8.150 nan 0.000 0.444 168 L N -1.436 119.873 121.223 0.144 0.000 2.017 168 L HA -0.129 4.212 4.340 0.000 0.000 0.208 168 L C 2.167 179.243 176.870 0.343 0.000 1.073 168 L CA 1.918 56.879 54.840 0.201 0.000 0.745 168 L CB -0.719 41.508 42.059 0.280 0.000 0.894 168 L HN 0.551 nan 8.230 nan 0.000 0.432 169 W N -0.033 121.394 121.300 0.211 0.000 2.363 169 W HA -0.066 4.593 4.660 -0.000 0.000 0.296 169 W C 2.657 179.290 176.519 0.190 0.000 1.212 169 W CA 1.414 58.955 57.345 0.327 0.000 1.260 169 W CB -1.355 28.294 29.460 0.315 0.000 1.131 169 W HN 0.341 nan 8.180 nan 0.000 0.530 170 A N -0.002 123.045 122.820 0.378 0.000 2.015 170 A HA -0.064 4.256 4.320 0.000 0.000 0.219 170 A C 1.975 179.673 177.584 0.190 0.000 1.163 170 A CA 2.534 54.756 52.037 0.308 0.000 0.646 170 A CB -0.817 18.394 19.000 0.353 0.000 0.806 170 A HN 0.240 nan 8.150 nan 0.000 0.448 171 V N -3.929 115.996 119.914 0.018 0.000 3.570 171 V HA 0.261 4.381 4.120 0.000 0.000 0.257 171 V C 1.635 177.565 176.094 -0.273 0.000 1.272 171 V CA 1.408 63.576 62.300 -0.221 0.000 1.079 171 V CB -0.021 31.399 31.823 -0.672 0.000 0.829 171 V HN 0.473 nan 8.190 nan 0.000 0.454 172 K N -0.683 119.571 120.400 -0.244 0.000 2.424 172 K HA 0.186 4.506 4.320 0.000 0.000 0.198 172 K C 0.576 176.904 176.600 -0.452 0.000 1.190 172 K CA 0.144 56.179 56.287 -0.419 0.000 0.935 172 K CB 0.521 32.640 32.500 -0.635 0.000 1.087 172 K HN 0.463 nan 8.250 nan 0.000 0.524 173 Y N 1.121 121.416 120.300 -0.008 0.000 2.736 173 Y HA 0.288 4.838 4.550 0.000 0.000 0.293 173 Y C 1.517 177.407 175.900 -0.018 0.000 1.062 173 Y CA -0.033 58.018 58.100 -0.081 0.000 1.247 173 Y CB 0.587 38.865 38.460 -0.303 0.000 1.200 173 Y HN 0.081 nan 8.280 nan 0.000 0.552 174 K N 0.902 121.370 120.400 0.112 0.000 2.063 174 K HA 0.331 4.651 4.320 0.000 0.000 0.208 174 K C 0.963 177.628 176.600 0.107 0.000 1.048 174 K CA 1.601 57.954 56.287 0.110 0.000 0.928 174 K CB -0.388 32.149 32.500 0.061 0.000 0.713 174 K HN 0.462 nan 8.250 nan 0.000 0.442 175 A N -1.226 121.647 122.820 0.089 0.000 2.606 175 A HA 0.747 5.067 4.320 0.000 0.000 0.293 175 A C -1.120 176.509 177.584 0.076 0.000 1.082 175 A CA -0.581 51.510 52.037 0.090 0.000 0.685 175 A CB 1.419 20.456 19.000 0.062 0.000 1.284 175 A HN 0.279 nan 8.150 nan 0.000 0.408 176 R N 1.594 122.148 120.500 0.090 0.000 2.680 176 R HA 0.405 4.745 4.340 0.000 0.000 0.278 176 R C -0.422 175.915 176.300 0.062 0.000 1.582 176 R CA 0.012 56.144 56.100 0.053 0.000 1.177 176 R CB 0.386 30.704 30.300 0.030 0.000 1.232 176 R HN 1.042 nan 8.270 nan 0.000 0.528 177 D N 1.985 122.402 120.400 0.028 0.000 4.230 177 D HA -0.261 4.379 4.640 0.000 0.000 0.138 177 D C 1.089 177.399 176.300 0.016 0.000 0.772 177 D CA 2.594 56.603 54.000 0.015 0.000 1.136 177 D CB -1.187 39.617 40.800 0.006 0.000 0.547 177 D HN 0.565 nan 8.370 nan 0.000 0.537 178 G N -0.583 108.226 108.800 0.014 0.000 2.414 178 G HA2 -0.064 3.896 3.960 0.000 0.000 0.215 178 G HA3 -0.064 3.896 3.960 0.000 0.000 0.215 178 G C 0.552 175.386 174.900 -0.111 0.000 1.188 178 G CA 0.984 46.038 45.100 -0.077 0.000 0.783 178 G HN 0.393 nan 8.290 nan 0.000 0.537 179 W N 1.606 122.920 121.300 0.023 0.000 2.216 179 W HA 0.490 5.150 4.660 -0.000 0.000 0.326 179 W C 0.695 177.243 176.519 0.049 0.000 1.319 179 W CA -0.259 57.118 57.345 0.054 0.000 1.213 179 W CB 0.979 30.488 29.460 0.080 0.000 1.171 179 W HN 0.221 nan 8.180 nan 0.000 0.557 180 S N 1.614 117.501 115.700 0.311 0.000 2.638 180 S HA 0.273 4.743 4.470 0.000 0.000 0.302 180 S C 0.686 175.455 174.600 0.283 0.000 1.096 180 S CA -0.877 57.455 58.200 0.219 0.000 0.953 180 S CB 1.986 65.247 63.200 0.100 0.000 1.107 180 S HN 0.537 nan 8.310 nan 0.000 0.503 181 Q N 0.885 120.826 119.800 0.234 0.000 2.096 181 Q HA -0.094 4.246 4.340 0.000 0.000 0.204 181 Q C 2.449 178.541 176.000 0.153 0.000 0.982 181 Q CA 1.948 57.915 55.803 0.273 0.000 0.850 181 Q CB -1.201 27.713 28.738 0.293 0.000 0.901 181 Q HN 0.915 nan 8.270 nan 0.000 0.422 182 A N 1.974 124.842 122.820 0.081 0.000 1.892 182 A HA -0.242 4.078 4.320 0.000 0.000 0.218 182 A C 1.797 179.388 177.584 0.012 0.000 1.188 182 A CA 1.957 53.997 52.037 0.004 0.000 0.631 182 A CB -0.557 18.426 19.000 -0.028 0.000 0.822 182 A HN 0.266 nan 8.150 nan 0.000 0.447 183 D N 0.083 120.528 120.400 0.075 0.000 2.092 183 D HA -0.122 4.518 4.640 0.000 0.000 0.193 183 D C 2.278 178.681 176.300 0.172 0.000 0.994 183 D CA 1.828 55.876 54.000 0.080 0.000 0.828 183 D CB -0.670 40.188 40.800 0.098 0.000 0.963 183 D HN 0.437 nan 8.370 nan 0.000 0.450 184 A N 0.681 123.731 122.820 0.382 0.000 1.908 184 A HA -0.136 4.184 4.320 0.000 0.000 0.218 184 A C 2.461 180.109 177.584 0.106 0.000 1.181 184 A CA 1.037 53.320 52.037 0.409 0.000 0.627 184 A CB -0.837 18.494 19.000 0.551 0.000 0.818 184 A HN 0.217 nan 8.150 nan 0.000 0.445 185 L N -1.165 120.029 121.223 -0.048 0.000 2.093 185 L HA -0.163 4.177 4.340 0.000 0.000 0.208 185 L C 2.808 179.498 176.870 -0.300 0.000 1.085 185 L CA 1.242 55.942 54.840 -0.234 0.000 0.755 185 L CB -0.407 41.485 42.059 -0.278 0.000 0.904 185 L HN 0.360 nan 8.230 nan 0.000 0.435 186 R N -0.336 120.000 120.500 -0.274 0.000 2.148 186 R HA -0.086 4.254 4.340 0.000 0.000 0.223 186 R C 2.138 178.036 176.300 -0.671 0.000 1.088 186 R CA 0.707 56.590 56.100 -0.361 0.000 0.985 186 R CB -0.036 30.145 30.300 -0.198 0.000 0.880 186 R HN 0.291 nan 8.270 nan 0.000 0.451 187 K N -0.115 119.897 120.400 -0.646 0.000 2.166 187 K HA 0.097 4.417 4.320 0.000 0.000 0.201 187 K C 1.831 178.036 176.600 -0.659 0.000 1.052 187 K CA 1.001 56.763 56.287 -0.876 0.000 0.969 187 K CB 0.306 31.783 32.500 -1.705 0.000 0.761 187 K HN 0.082 nan 8.250 nan 0.000 0.459 188 A N 0.327 122.907 122.820 -0.399 0.000 2.044 188 A HA -0.014 4.306 4.320 0.000 0.000 0.213 188 A C -0.152 177.439 177.584 0.012 0.000 1.169 188 A CA 0.181 52.230 52.037 0.021 0.000 0.724 188 A CB -0.318 18.856 19.000 0.290 0.000 0.840 188 A HN 0.414 nan 8.150 nan 0.000 0.463 189 H N -0.856 118.221 119.070 0.012 0.000 2.591 189 H HA -0.094 4.462 4.556 -0.000 0.000 0.325 189 H C -2.321 173.018 175.328 0.019 0.000 1.096 189 H CA 0.679 56.724 56.048 -0.005 0.000 1.108 189 H CB -2.110 27.648 29.762 -0.008 0.000 1.590 189 H HN 0.389 nan 8.280 nan 0.000 0.399 190 P HA 0.261 nan 4.420 nan 0.000 0.271 190 P C 0.217 177.560 177.300 0.072 0.000 1.218 190 P CA 0.149 63.308 63.100 0.099 0.000 0.780 190 P CB 1.163 32.929 31.700 0.109 0.000 0.901 191 K N 1.039 121.479 120.400 0.067 0.000 2.507 191 K HA 0.427 4.747 4.320 0.000 0.000 0.251 191 K C -0.479 176.145 176.600 0.040 0.000 0.943 191 K CA -0.482 55.833 56.287 0.046 0.000 0.794 191 K CB 1.372 33.895 32.500 0.037 0.000 1.188 191 K HN 0.581 nan 8.250 nan 0.000 0.428 192 T N -0.746 113.828 114.554 0.033 0.000 2.897 192 T HA 0.176 4.526 4.350 0.000 0.000 0.278 192 T C 1.048 175.759 174.700 0.018 0.000 0.981 192 T CA -0.349 61.767 62.100 0.026 0.000 0.973 192 T CB 0.990 69.871 68.868 0.022 0.000 1.092 192 T HN 0.644 nan 8.240 nan 0.000 0.543 193 D N 0.171 120.579 120.400 0.013 0.000 2.183 193 D HA -0.080 4.560 4.640 0.000 0.000 0.203 193 D C 0.422 176.727 176.300 0.009 0.000 0.969 193 D CA 0.612 54.618 54.000 0.010 0.000 0.842 193 D CB -0.528 40.276 40.800 0.007 0.000 0.957 193 D HN 0.799 nan 8.370 nan 0.000 0.484 194 D N -0.048 120.357 120.400 0.008 0.000 2.177 194 D HA 0.354 4.994 4.640 0.000 0.000 0.247 194 D C 0.745 177.051 176.300 0.009 0.000 1.063 194 D CA -0.531 53.472 54.000 0.006 0.000 0.867 194 D CB 2.073 42.875 40.800 0.003 0.000 1.168 194 D HN 0.030 nan 8.370 nan 0.000 0.445 195 A N 2.586 125.411 122.820 0.008 0.000 1.972 195 A HA 0.020 4.340 4.320 0.000 0.000 0.219 195 A C 2.129 179.720 177.584 0.012 0.000 1.169 195 A CA 1.749 53.792 52.037 0.011 0.000 0.635 195 A CB -0.681 18.325 19.000 0.009 0.000 0.810 195 A HN 0.738 nan 8.150 nan 0.000 0.446 196 A N 0.080 122.904 122.820 0.008 0.000 1.858 196 A HA -0.183 4.137 4.320 0.000 0.000 0.216 196 A C 2.265 179.854 177.584 0.010 0.000 1.190 196 A CA 1.579 53.620 52.037 0.006 0.000 0.617 196 A CB -0.507 18.493 19.000 0.001 0.000 0.827 196 A HN 0.525 nan 8.150 nan 0.000 0.443 197 R N -0.580 119.926 120.500 0.009 0.000 2.096 197 R HA -0.096 4.244 4.340 0.000 0.000 0.235 197 R C 1.803 178.119 176.300 0.025 0.000 1.127 197 R CA 1.323 57.431 56.100 0.014 0.000 0.968 197 R CB -0.362 29.942 30.300 0.007 0.000 0.861 197 R HN 0.504 nan 8.270 nan 0.000 0.440 198 N N 0.793 119.508 118.700 0.024 0.000 2.223 198 N HA -0.117 4.623 4.740 0.000 0.000 0.185 198 N C 1.575 177.108 175.510 0.038 0.000 1.016 198 N CA 1.345 54.411 53.050 0.028 0.000 0.863 198 N CB -0.205 38.297 38.487 0.024 0.000 0.983 198 N HN 0.216 nan 8.380 nan 0.000 0.429 199 A N 0.373 123.216 122.820 0.038 0.000 1.898 199 A HA -0.058 4.262 4.320 0.000 0.000 0.216 199 A C 2.391 180.027 177.584 0.087 0.000 1.181 199 A CA 1.240 53.308 52.037 0.052 0.000 0.620 199 A CB -0.790 18.229 19.000 0.032 0.000 0.819 199 A HN 0.158 nan 8.150 nan 0.000 0.442 200 V N -0.139 119.819 119.914 0.074 0.000 2.548 200 V HA -0.106 4.014 4.120 0.000 0.000 0.249 200 V C 2.260 178.450 176.094 0.161 0.000 1.055 200 V CA 1.603 63.974 62.300 0.118 0.000 1.065 200 V CB -0.369 31.495 31.823 0.069 0.000 0.681 200 V HN 0.565 nan 8.190 nan 0.000 0.462 201 L N -0.110 121.165 121.223 0.087 0.000 2.056 201 L HA -0.164 4.176 4.340 0.000 0.000 0.207 201 L C 2.619 179.511 176.870 0.037 0.000 1.078 201 L CA 2.168 57.029 54.840 0.035 0.000 0.749 201 L CB -0.678 41.376 42.059 -0.009 0.000 0.901 201 L HN 0.293 nan 8.230 nan 0.000 0.433 202 K N 0.108 120.544 120.400 0.060 0.000 2.063 202 K HA -0.253 4.067 4.320 0.000 0.000 0.208 202 K C 2.212 178.857 176.600 0.075 0.000 1.048 202 K CA 1.723 58.042 56.287 0.053 0.000 0.928 202 K CB -0.196 32.341 32.500 0.061 0.000 0.713 202 K HN 0.136 nan 8.250 nan 0.000 0.442 203 F N 1.247 121.198 119.950 0.001 0.000 2.171 203 F HA -0.121 4.406 4.527 0.000 0.000 0.300 203 F C 1.923 177.730 175.800 0.011 0.000 1.090 203 F CA 1.380 59.385 58.000 0.007 0.000 1.293 203 F CB -0.093 38.914 39.000 0.013 0.000 1.013 203 F HN -0.028 nan 8.300 nan 0.000 0.486 204 M N -0.587 119.022 119.600 0.015 0.000 2.358 204 M HA -0.151 4.329 4.480 0.000 0.000 0.264 204 M C 1.719 177.933 176.300 -0.143 0.000 1.064 204 M CA 0.958 56.221 55.300 -0.062 0.000 1.093 204 M CB -0.212 32.441 32.600 0.087 0.000 1.401 204 M HN 0.105 nan 8.290 nan 0.000 0.440 205 V N 0.094 119.931 119.914 -0.129 0.000 2.575 205 V HA -0.112 4.008 4.120 0.000 0.000 0.242 205 V C 1.439 177.448 176.094 -0.143 0.000 1.045 205 V CA 1.716 63.947 62.300 -0.115 0.000 1.065 205 V CB -0.260 31.517 31.823 -0.078 0.000 0.717 205 V HN 0.504 nan 8.190 nan 0.000 0.467 206 D N -0.649 119.654 120.400 -0.162 0.000 2.433 206 D HA 0.196 4.836 4.640 0.000 0.000 0.211 206 D C 1.623 177.799 176.300 -0.207 0.000 1.114 206 D CA 0.684 54.600 54.000 -0.140 0.000 0.837 206 D CB 0.347 41.107 40.800 -0.066 0.000 0.984 206 D HN 0.363 nan 8.370 nan 0.000 0.505 207 G N 0.143 108.669 108.800 -0.456 0.000 2.205 207 G HA2 -0.289 3.671 3.960 0.000 0.000 0.269 207 G HA3 -0.289 3.671 3.960 0.000 0.000 0.269 207 G C 0.244 175.039 174.900 -0.174 0.000 0.977 207 G CA 0.636 45.355 45.100 -0.636 0.000 0.652 207 G HN 0.425 nan 8.290 nan 0.000 0.539 208 V N 1.332 121.249 119.914 0.005 0.000 2.461 208 V HA 0.504 4.624 4.120 0.000 0.000 0.275 208 V C 0.725 177.012 176.094 0.322 0.000 1.047 208 V CA -0.677 61.710 62.300 0.145 0.000 0.955 208 V CB 1.524 33.392 31.823 0.074 0.000 0.988 208 V HN 0.371 nan 8.190 nan 0.000 0.471 209 L N 9.980 131.360 121.223 0.262 0.000 2.360 209 L HA 0.477 4.817 4.340 0.000 0.000 0.276 209 L C -1.505 175.415 176.870 0.084 0.000 1.121 209 L CA -0.435 54.502 54.840 0.162 0.000 0.845 209 L CB 0.595 42.699 42.059 0.074 0.000 1.143 209 L HN 0.539 nan 8.230 nan 0.000 0.452 210 P HA 0.430 nan 4.420 nan 0.000 0.333 210 P C -1.365 175.941 177.300 0.010 0.000 1.370 210 P CA -0.483 62.638 63.100 0.035 0.000 0.851 210 P CB 0.663 32.385 31.700 0.037 0.000 2.082 211 K N -0.725 119.678 120.400 0.006 0.000 2.788 211 K HA 0.178 4.498 4.320 0.000 0.000 0.247 211 K C 0.212 176.813 176.600 0.002 0.000 1.442 211 K CA 0.044 56.330 56.287 -0.001 0.000 0.859 211 K CB 0.640 33.143 32.500 0.005 0.000 1.359 211 K HN -0.036 nan 8.250 nan 0.000 0.502 212 V N 0.516 120.429 119.914 -0.002 0.000 2.265 212 V HA -0.101 4.019 4.120 0.000 0.000 0.224 212 V C 1.023 177.117 176.094 -0.001 0.000 1.023 212 V CA 1.480 63.780 62.300 -0.000 0.000 1.011 212 V CB -0.078 31.745 31.823 -0.001 0.000 0.651 212 V HN 0.672 nan 8.190 nan 0.000 0.466 213 D N -3.090 117.308 120.400 -0.004 0.000 1.858 213 D HA -0.070 4.570 4.640 0.000 0.000 0.069 213 D C 0.757 177.056 176.300 -0.002 0.000 1.447 213 D CA 1.035 55.034 54.000 -0.001 0.000 0.518 213 D CB -0.686 40.116 40.800 0.003 0.000 3.280 213 D HN 0.345 nan 8.370 nan 0.000 0.191 214 S N 1.169 116.869 115.700 -0.001 0.000 3.420 214 S HA -0.180 4.290 4.470 0.000 0.000 0.367 214 S C -2.162 172.439 174.600 0.002 0.000 1.063 214 S CA 0.898 59.097 58.200 -0.001 0.000 1.073 214 S CB -1.563 61.635 63.200 -0.004 0.000 0.905 214 S HN 0.333 nan 8.310 nan 0.000 0.485 215 P HA -0.325 nan 4.420 nan 0.000 0.092 215 P C 1.096 178.410 177.300 0.024 0.000 1.136 215 P CA 1.711 64.824 63.100 0.021 0.000 0.973 215 P CB -0.882 30.829 31.700 0.017 0.000 1.704 216 A N -1.468 121.355 122.820 0.006 0.000 1.930 216 A HA -0.088 4.232 4.320 0.000 0.000 0.215 216 A C 2.101 179.667 177.584 -0.030 0.000 1.176 216 A CA 1.093 53.129 52.037 -0.003 0.000 0.632 216 A CB -0.822 18.171 19.000 -0.011 0.000 0.819 216 A HN 0.254 nan 8.150 nan 0.000 0.445 217 L N -1.139 120.058 121.223 -0.043 0.000 2.201 217 L HA -0.115 4.225 4.340 0.000 0.000 0.212 217 L C 2.691 179.530 176.870 -0.053 0.000 1.105 217 L CA 1.278 56.064 54.840 -0.090 0.000 0.775 217 L CB -0.543 41.473 42.059 -0.072 0.000 0.913 217 L HN 0.431 nan 8.230 nan 0.000 0.440 218 R N 0.632 121.149 120.500 0.029 0.000 2.080 218 R HA -0.173 4.167 4.340 0.000 0.000 0.236 218 R C 2.428 178.803 176.300 0.126 0.000 1.137 218 R CA 2.151 58.338 56.100 0.145 0.000 0.943 218 R CB -0.337 30.061 30.300 0.163 0.000 0.846 218 R HN 0.360 nan 8.270 nan 0.000 0.431 219 V N -0.932 119.039 119.914 0.095 0.000 2.469 219 V HA -0.197 3.923 4.120 0.000 0.000 0.251 219 V C 2.055 178.172 176.094 0.037 0.000 1.064 219 V CA 1.761 64.120 62.300 0.099 0.000 1.066 219 V CB -0.607 31.288 31.823 0.121 0.000 0.667 219 V HN 0.298 nan 8.190 nan 0.000 0.461 220 I N 0.543 121.070 120.570 -0.072 0.000 2.163 220 I HA -0.209 3.961 4.170 0.000 0.000 0.240 220 I C 2.812 178.809 176.117 -0.199 0.000 1.081 220 I CA 2.329 63.516 61.300 -0.188 0.000 1.353 220 I CB -0.513 37.222 38.000 -0.442 0.000 1.054 220 I HN 0.439 nan 8.210 nan 0.000 0.407 221 E N 1.201 121.265 120.200 -0.227 0.000 2.085 221 E HA -0.214 4.136 4.350 0.000 0.000 0.194 221 E C 2.244 178.569 176.600 -0.458 0.000 0.994 221 E CA 1.528 57.776 56.400 -0.254 0.000 0.801 221 E CB -0.253 29.348 29.700 -0.165 0.000 0.743 221 E HN 0.504 nan 8.360 nan 0.000 0.453 222 G N 0.170 108.472 108.800 -0.830 0.000 2.446 222 G HA2 -0.291 3.669 3.960 0.000 0.000 0.217 222 G HA3 -0.291 3.669 3.960 0.000 0.000 0.217 222 G C 1.470 176.083 174.900 -0.479 0.000 1.168 222 G CA 1.088 45.490 45.100 -1.164 0.000 0.771 222 G HN 0.347 nan 8.290 nan 0.000 0.551 223 H N 0.257 119.164 119.070 -0.271 0.000 2.387 223 H HA 0.048 4.604 4.556 0.000 0.000 0.299 223 H C 2.748 178.020 175.328 -0.094 0.000 1.090 223 H CA 1.084 57.052 56.048 -0.133 0.000 1.332 223 H CB -0.031 29.688 29.762 -0.071 0.000 1.386 223 H HN 0.259 nan 8.280 nan 0.000 0.516 224 L N 0.722 121.951 121.223 0.011 0.000 1.955 224 L HA -0.229 4.111 4.340 0.000 0.000 0.213 224 L C 2.615 179.473 176.870 -0.020 0.000 1.072 224 L CA 1.491 56.344 54.840 0.021 0.000 0.755 224 L CB -0.400 41.666 42.059 0.012 0.000 0.888 224 L HN 0.194 nan 8.230 nan 0.000 0.432 225 K N 0.253 120.602 120.400 -0.086 0.000 2.113 225 K HA -0.189 4.131 4.320 0.000 0.000 0.208 225 K C 2.181 178.747 176.600 -0.056 0.000 1.047 225 K CA 1.451 57.696 56.287 -0.069 0.000 0.928 225 K CB -0.417 32.023 32.500 -0.100 0.000 0.716 225 K HN 0.329 nan 8.250 nan 0.000 0.446 226 A N 1.367 124.129 122.820 -0.097 0.000 1.940 226 A HA -0.158 4.162 4.320 0.000 0.000 0.219 226 A C 2.162 179.727 177.584 -0.032 0.000 1.176 226 A CA 2.042 54.027 52.037 -0.087 0.000 0.631 226 A CB -0.983 17.918 19.000 -0.164 0.000 0.814 226 A HN 0.299 nan 8.150 nan 0.000 0.446 227 T N -0.762 113.795 114.554 0.004 0.000 3.051 227 T HA -0.029 4.321 4.350 0.000 0.000 0.269 227 T C 0.967 175.706 174.700 0.065 0.000 1.127 227 T CA 1.519 63.646 62.100 0.045 0.000 1.107 227 T CB -0.077 68.828 68.868 0.060 0.000 0.898 227 T HN 0.489 nan 8.240 nan 0.000 0.517 228 E N 0.141 120.367 120.200 0.043 0.000 2.830 228 E HA 0.566 4.916 4.350 0.000 0.000 0.225 228 E C 1.010 177.642 176.600 0.054 0.000 1.109 228 E CA -0.286 56.145 56.400 0.052 0.000 1.392 228 E CB -0.263 29.456 29.700 0.032 0.000 1.349 228 E HN 0.319 nan 8.360 nan 0.000 0.433 229 A N 0.588 123.450 122.820 0.070 0.000 1.859 229 A HA 0.215 4.535 4.320 0.000 0.000 0.212 229 A C 2.042 179.675 177.584 0.082 0.000 1.238 229 A CA 2.067 54.131 52.037 0.045 0.000 0.613 229 A CB -0.615 18.376 19.000 -0.014 0.000 0.904 229 A HN 0.475 nan 8.150 nan 0.000 0.457 230 Q N -2.393 117.515 119.800 0.181 0.000 2.414 230 Q HA -0.246 4.094 4.340 0.000 0.000 0.150 230 Q C 1.191 177.264 176.000 0.120 0.000 1.083 230 Q CA 2.804 58.722 55.803 0.192 0.000 1.241 230 Q CB -2.865 25.933 28.738 0.101 0.000 1.177 230 Q HN 1.686 nan 8.270 nan 0.000 0.985 231 T N -1.277 113.313 114.554 0.060 0.000 2.876 231 T HA 0.493 4.843 4.350 0.000 0.000 0.289 231 T C 0.531 175.232 174.700 0.001 0.000 1.014 231 T CA 0.552 62.672 62.100 0.034 0.000 0.986 231 T CB 1.774 70.660 68.868 0.029 0.000 1.021 231 T HN 0.483 nan 8.240 nan 0.000 0.458 232 D N 3.612 124.012 120.400 0.000 0.000 2.149 232 D HA -0.071 4.569 4.640 0.000 0.000 0.198 232 D C 1.944 178.235 176.300 -0.015 0.000 0.990 232 D CA 2.006 55.997 54.000 -0.015 0.000 0.839 232 D CB -0.000 40.804 40.800 0.007 0.000 0.948 232 D HN 0.599 nan 8.370 nan 0.000 0.460 233 A N 0.336 123.155 122.820 -0.001 0.000 1.872 233 A HA 0.184 4.504 4.320 0.000 0.000 0.214 233 A C 2.406 179.987 177.584 -0.005 0.000 1.187 233 A CA 1.919 53.956 52.037 -0.001 0.000 0.614 233 A CB -1.067 17.937 19.000 0.007 0.000 0.826 233 A HN 0.318 nan 8.150 nan 0.000 0.442 234 A N -0.025 122.795 122.820 -0.001 0.000 1.902 234 A HA 0.178 4.498 4.320 0.000 0.000 0.217 234 A C 2.500 180.079 177.584 -0.008 0.000 1.181 234 A CA 2.050 54.089 52.037 0.002 0.000 0.623 234 A CB -1.043 17.963 19.000 0.010 0.000 0.818 234 A HN 1.023 nan 8.150 nan 0.000 0.443 235 A N 0.089 122.893 122.820 -0.026 0.000 1.865 235 A HA 0.071 4.391 4.320 0.000 0.000 0.217 235 A C 2.557 180.109 177.584 -0.053 0.000 1.191 235 A CA 2.511 54.516 52.037 -0.052 0.000 0.623 235 A CB -1.225 17.725 19.000 -0.084 0.000 0.826 235 A HN 1.126 nan 8.150 nan 0.000 0.444 236 A N -0.190 122.601 122.820 -0.048 0.000 1.865 236 A HA 0.086 4.406 4.320 0.000 0.000 0.217 236 A C 2.544 180.109 177.584 -0.032 0.000 1.191 236 A CA 2.530 54.539 52.037 -0.046 0.000 0.623 236 A CB -1.222 17.758 19.000 -0.033 0.000 0.826 236 A HN 1.255 nan 8.150 nan 0.000 0.444 237 A N -0.734 122.075 122.820 -0.017 0.000 2.024 237 A HA -0.044 4.276 4.320 0.000 0.000 0.220 237 A C 2.175 179.763 177.584 0.007 0.000 1.164 237 A CA 1.544 53.575 52.037 -0.010 0.000 0.643 237 A CB -0.521 18.478 19.000 -0.003 0.000 0.806 237 A HN 0.499 nan 8.150 nan 0.000 0.451 238 L N -0.734 120.503 121.223 0.023 0.000 2.044 238 L HA -0.171 4.169 4.340 0.000 0.000 0.205 238 L C 2.951 179.883 176.870 0.103 0.000 1.075 238 L CA 1.610 56.505 54.840 0.092 0.000 0.747 238 L CB -0.490 41.595 42.059 0.044 0.000 0.903 238 L HN 0.606 nan 8.230 nan 0.000 0.435 239 M N -1.773 117.827 119.600 0.000 0.000 2.229 239 M HA -0.175 4.305 4.480 0.000 0.000 0.264 239 M C 2.037 178.324 176.300 -0.022 0.000 1.063 239 M CA 1.539 56.823 55.300 -0.027 0.000 1.114 239 M CB -0.762 31.783 32.600 -0.092 0.000 1.387 239 M HN 0.208 nan 8.290 nan 0.000 0.420 240 Q N 1.266 121.046 119.800 -0.033 0.000 2.030 240 Q HA -0.230 4.110 4.340 0.000 0.000 0.204 240 Q C 2.166 178.126 176.000 -0.067 0.000 0.986 240 Q CA 2.339 58.113 55.803 -0.048 0.000 0.843 240 Q CB -0.249 28.462 28.738 -0.045 0.000 0.904 240 Q HN 0.721 nan 8.270 nan 0.000 0.420 241 E N -0.420 119.732 120.200 -0.080 0.000 2.110 241 E HA -0.193 4.157 4.350 0.000 0.000 0.193 241 E C 0.569 176.981 176.600 -0.312 0.000 0.988 241 E CA 1.017 57.284 56.400 -0.222 0.000 0.804 241 E CB 0.117 29.634 29.700 -0.306 0.000 0.745 241 E HN 0.389 nan 8.360 nan 0.000 0.458 242 Y N -0.027 120.234 120.300 -0.064 0.000 2.636 242 Y HA 0.221 4.771 4.550 0.000 0.000 0.260 242 Y C 0.083 175.943 175.900 -0.067 0.000 1.177 242 Y CA 0.266 58.328 58.100 -0.064 0.000 1.209 242 Y CB 0.502 38.915 38.460 -0.078 0.000 1.166 242 Y HN 0.063 nan 8.280 nan 0.000 0.531 243 R N -1.347 119.173 120.500 0.033 0.000 3.741 243 R HA -0.249 4.091 4.340 0.000 0.000 0.292 243 R C -1.576 174.718 176.300 -0.010 0.000 1.176 243 R CA 0.820 56.920 56.100 -0.002 0.000 0.794 243 R CB -3.063 27.240 30.300 0.004 0.000 1.213 243 R HN 0.336 nan 8.270 nan 0.000 0.494 244 L N 1.351 122.552 121.223 -0.036 0.000 2.371 244 L HA 0.492 4.832 4.340 0.000 0.000 0.272 244 L C -1.287 175.515 176.870 -0.114 0.000 1.124 244 L CA -2.291 52.480 54.840 -0.116 0.000 0.816 244 L CB 0.380 42.274 42.059 -0.276 0.000 1.129 244 L HN 0.058 nan 8.230 nan 0.000 0.448 245 P HA -0.057 nan 4.420 nan 0.000 0.269 245 P C 0.545 177.802 177.300 -0.071 0.000 1.215 245 P CA -0.446 62.625 63.100 -0.049 0.000 0.780 245 P CB 0.959 32.687 31.700 0.047 0.000 0.898 246 L N 2.354 123.538 121.223 -0.063 0.000 2.261 246 L HA -0.195 4.145 4.340 0.000 0.000 0.216 246 L C 2.041 178.895 176.870 -0.026 0.000 1.114 246 L CA 1.777 56.577 54.840 -0.067 0.000 0.777 246 L CB -1.077 40.997 42.059 0.026 0.000 0.910 246 L HN 0.344 nan 8.230 nan 0.000 0.440 247 E N 0.141 120.362 120.200 0.034 0.000 2.085 247 E HA -0.218 4.132 4.350 0.000 0.000 0.194 247 E C 2.158 178.787 176.600 0.048 0.000 0.994 247 E CA 1.178 57.611 56.400 0.056 0.000 0.801 247 E CB -0.494 29.252 29.700 0.078 0.000 0.743 247 E HN 0.652 nan 8.360 nan 0.000 0.453 248 A N 1.414 124.257 122.820 0.038 0.000 2.178 248 A HA -0.041 4.279 4.320 0.000 0.000 0.218 248 A C 1.147 178.693 177.584 -0.064 0.000 1.157 248 A CA 0.541 52.569 52.037 -0.014 0.000 0.689 248 A CB -0.100 18.637 19.000 -0.439 0.000 0.787 248 A HN 0.060 nan 8.150 nan 0.000 0.465 249 V N 1.601 121.463 119.914 -0.086 0.000 2.383 249 V HA 0.237 4.357 4.120 0.000 0.000 0.275 249 V C -2.417 173.605 176.094 -0.119 0.000 1.036 249 V CA -1.893 60.334 62.300 -0.122 0.000 0.889 249 V CB 1.121 32.847 31.823 -0.161 0.000 0.985 249 V HN 0.130 nan 8.190 nan 0.000 0.459 250 P HA 0.014 nan 4.420 nan 0.000 0.261 250 P C 1.189 178.354 177.300 -0.225 0.000 1.173 250 P CA 0.477 63.479 63.100 -0.164 0.000 0.760 250 P CB 0.408 31.923 31.700 -0.308 0.000 0.783 251 T N 1.831 116.360 114.554 -0.042 0.000 2.760 251 T HA -0.238 4.112 4.350 0.000 0.000 0.269 251 T C 1.362 176.064 174.700 0.004 0.000 1.047 251 T CA 2.182 64.285 62.100 0.006 0.000 1.139 251 T CB -0.972 67.937 68.868 0.069 0.000 0.855 251 T HN 0.697 nan 8.240 nan 0.000 0.471 252 H N 0.359 119.448 119.070 0.032 0.000 2.521 252 H HA 0.170 4.726 4.556 -0.000 0.000 0.286 252 H C 1.655 177.002 175.328 0.032 0.000 1.034 252 H CA 1.165 57.233 56.048 0.033 0.000 1.278 252 H CB -0.337 29.440 29.762 0.025 0.000 1.386 252 H HN 0.391 nan 8.280 nan 0.000 0.567 253 V N -2.368 117.339 119.914 -0.345 0.000 3.346 253 V HA 0.323 4.443 4.120 0.000 0.000 0.309 253 V C 0.543 176.569 176.094 -0.114 0.000 1.457 253 V CA -0.682 61.501 62.300 -0.196 0.000 1.069 253 V CB -0.160 31.495 31.823 -0.279 0.000 0.944 253 V HN 0.113 nan 8.190 nan 0.000 0.449 254 R N 2.350 122.794 120.500 -0.094 0.000 2.853 254 R HA 0.504 4.844 4.340 0.000 0.000 0.238 254 R C 0.819 177.157 176.300 0.062 0.000 1.538 254 R CA 0.523 56.575 56.100 -0.080 0.000 1.166 254 R CB 0.357 30.592 30.300 -0.108 0.000 1.201 254 R HN 0.623 nan 8.270 nan 0.000 0.606 255 G N 0.309 109.139 108.800 0.050 0.000 2.702 255 G HA2 0.377 4.337 3.960 0.000 0.000 0.254 255 G HA3 0.377 4.337 3.960 0.000 0.000 0.254 255 G C 0.896 175.890 174.900 0.158 0.000 1.380 255 G CA -0.062 45.105 45.100 0.113 0.000 1.042 255 G HN 0.424 nan 8.290 nan 0.000 0.557 256 A N -0.525 122.375 122.820 0.132 0.000 1.884 256 A HA -0.113 4.207 4.320 0.000 0.000 0.219 256 A C 2.106 179.759 177.584 0.114 0.000 1.197 256 A CA 2.318 54.435 52.037 0.133 0.000 0.637 256 A CB -0.574 18.479 19.000 0.088 0.000 0.827 256 A HN 0.500 nan 8.150 nan 0.000 0.450 257 E N -0.326 119.913 120.200 0.064 0.000 2.204 257 E HA -0.082 4.268 4.350 0.000 0.000 0.195 257 E C 2.120 178.726 176.600 0.009 0.000 0.990 257 E CA 1.090 57.511 56.400 0.034 0.000 0.821 257 E CB -0.720 28.989 29.700 0.015 0.000 0.750 257 E HN 0.415 nan 8.360 nan 0.000 0.477 258 V N 0.361 120.267 119.914 -0.013 0.000 2.379 258 V HA -0.219 3.901 4.120 0.000 0.000 0.245 258 V C 1.909 177.918 176.094 -0.142 0.000 1.044 258 V CA 1.399 63.633 62.300 -0.110 0.000 1.036 258 V CB -0.477 31.235 31.823 -0.186 0.000 0.664 258 V HN 0.173 nan 8.190 nan 0.000 0.453 259 Y N 0.194 120.529 120.300 0.057 0.000 2.206 259 Y HA -0.074 4.476 4.550 -0.000 0.000 0.292 259 Y C 2.646 178.600 175.900 0.091 0.000 1.123 259 Y CA 1.568 59.740 58.100 0.119 0.000 1.142 259 Y CB -0.443 38.090 38.460 0.122 0.000 1.006 259 Y HN 0.061 nan 8.280 nan 0.000 0.518 260 R N 0.222 120.841 120.500 0.199 0.000 2.134 260 R HA -0.291 4.049 4.340 0.000 0.000 0.248 260 R C 2.289 178.611 176.300 0.037 0.000 1.143 260 R CA 1.877 58.039 56.100 0.103 0.000 0.957 260 R CB -0.527 29.814 30.300 0.068 0.000 0.867 260 R HN 0.347 nan 8.270 nan 0.000 0.441 261 A N -0.060 122.759 122.820 -0.002 0.000 1.930 261 A HA -0.039 4.281 4.320 0.000 0.000 0.217 261 A C 2.279 179.787 177.584 -0.126 0.000 1.175 261 A CA 1.531 53.532 52.037 -0.060 0.000 0.627 261 A CB -0.636 18.321 19.000 -0.070 0.000 0.815 261 A HN 0.548 nan 8.150 nan 0.000 0.443 262 A N -0.730 122.003 122.820 -0.146 0.000 1.930 262 A HA -0.049 4.271 4.320 0.000 0.000 0.217 262 A C 2.225 179.433 177.584 -0.627 0.000 1.175 262 A CA 1.549 53.369 52.037 -0.362 0.000 0.627 262 A CB -0.504 18.358 19.000 -0.230 0.000 0.815 262 A HN 0.497 nan 8.150 nan 0.000 0.443 263 M N -0.645 118.775 119.600 -0.299 0.000 2.073 263 M HA -0.269 4.211 4.480 0.000 0.000 0.258 263 M C 2.299 178.486 176.300 -0.189 0.000 1.070 263 M CA 1.954 57.147 55.300 -0.178 0.000 1.103 263 M CB -0.571 32.071 32.600 0.071 0.000 1.321 263 M HN 0.520 nan 8.290 nan 0.000 0.405 264 Q N -0.861 118.858 119.800 -0.134 0.000 2.439 264 Q HA -0.099 4.241 4.340 0.000 0.000 0.211 264 Q C 1.052 176.972 176.000 -0.135 0.000 0.978 264 Q CA 1.542 57.285 55.803 -0.100 0.000 0.897 264 Q CB -0.157 28.538 28.738 -0.071 0.000 0.956 264 Q HN 0.597 nan 8.270 nan 0.000 0.483 265 T N -2.688 111.733 114.554 -0.222 0.000 3.145 265 T HA 0.247 4.597 4.350 0.000 0.000 0.281 265 T C 0.160 174.688 174.700 -0.288 0.000 1.003 265 T CA -0.487 61.482 62.100 -0.217 0.000 0.901 265 T CB 0.325 69.070 68.868 -0.206 0.000 1.112 265 T HN -0.018 nan 8.240 nan 0.000 0.535 266 N N 0.383 118.869 118.700 -0.357 0.000 2.321 266 N HA 0.566 5.306 4.740 0.000 0.000 0.290 266 N C 0.044 175.498 175.510 -0.094 0.000 1.212 266 N CA -0.447 52.403 53.050 -0.334 0.000 0.767 266 N CB 2.543 40.528 38.487 -0.836 0.000 1.494 266 N HN 0.292 nan 8.380 nan 0.000 0.479 267 G N 0.043 108.853 108.800 0.016 0.000 2.516 267 G HA2 0.180 4.140 3.960 0.000 0.000 0.276 267 G HA3 0.180 4.140 3.960 0.000 0.000 0.276 267 G C 0.963 175.954 174.900 0.152 0.000 1.390 267 G CA -0.195 44.950 45.100 0.075 0.000 1.050 267 G HN 0.398 nan 8.290 nan 0.000 0.519 268 L N -0.566 120.728 121.223 0.117 0.000 2.072 268 L HA 0.032 4.372 4.340 0.000 0.000 0.205 268 L C 3.027 179.972 176.870 0.125 0.000 1.079 268 L CA 2.458 57.366 54.840 0.112 0.000 0.752 268 L CB -1.035 41.068 42.059 0.073 0.000 0.906 268 L HN 0.572 nan 8.230 nan 0.000 0.436 269 T N -1.434 113.196 114.554 0.127 0.000 2.635 269 T HA -0.304 4.046 4.350 0.000 0.000 0.267 269 T C 1.414 176.193 174.700 0.132 0.000 1.040 269 T CA 1.999 64.166 62.100 0.112 0.000 1.156 269 T CB -0.798 68.136 68.868 0.110 0.000 0.863 269 T HN 0.616 nan 8.240 nan 0.000 0.430 270 W N 1.522 122.832 121.300 0.016 0.000 2.318 270 W HA -0.164 4.496 4.660 -0.000 0.000 0.313 270 W C 2.021 178.538 176.519 -0.003 0.000 1.221 270 W CA 0.876 58.230 57.345 0.016 0.000 1.266 270 W CB -0.663 28.812 29.460 0.024 0.000 1.150 270 W HN 0.142 nan 8.180 nan 0.000 0.496 271 L N 0.713 122.142 121.223 0.344 0.000 2.042 271 L HA -0.197 4.143 4.340 0.000 0.000 0.210 271 L C 2.345 179.148 176.870 -0.110 0.000 1.076 271 L CA 1.976 56.911 54.840 0.160 0.000 0.749 271 L CB -1.206 40.973 42.059 0.200 0.000 0.893 271 L HN 0.136 nan 8.230 nan 0.000 0.432 272 L N -0.351 120.836 121.223 -0.061 0.000 2.042 272 L HA -0.217 4.123 4.340 0.000 0.000 0.210 272 L C 2.568 179.343 176.870 -0.158 0.000 1.076 272 L CA 1.867 56.654 54.840 -0.088 0.000 0.749 272 L CB -0.527 41.522 42.059 -0.017 0.000 0.893 272 L HN 0.405 nan 8.230 nan 0.000 0.432 273 R N -1.039 119.338 120.500 -0.205 0.000 2.313 273 R HA 0.032 4.372 4.340 0.000 0.000 0.199 273 R C 0.938 176.995 176.300 -0.406 0.000 0.958 273 R CA 0.515 56.469 56.100 -0.243 0.000 1.047 273 R CB -0.271 29.916 30.300 -0.188 0.000 0.955 273 R HN 0.327 nan 8.270 nan 0.000 0.481 274 N N 0.414 118.774 118.700 -0.567 0.000 2.171 274 N HA 0.147 4.887 4.740 0.000 0.000 0.212 274 N C 1.136 176.279 175.510 -0.612 0.000 1.184 274 N CA -0.049 52.554 53.050 -0.745 0.000 0.888 274 N CB 0.567 38.205 38.487 -1.415 0.000 1.038 274 N HN 0.187 nan 8.380 nan 0.000 0.517 275 L N 0.305 121.229 121.223 -0.499 0.000 2.043 275 L HA -0.116 4.224 4.340 0.000 0.000 0.212 275 L C 2.490 179.015 176.870 -0.575 0.000 1.075 275 L CA 1.755 56.269 54.840 -0.544 0.000 0.752 275 L CB -0.739 40.863 42.059 -0.763 0.000 0.891 275 L HN 0.167 nan 8.230 nan 0.000 0.432 276 G N -0.281 108.073 108.800 -0.743 0.000 2.421 276 G HA2 -0.255 3.705 3.960 0.000 0.000 0.216 276 G HA3 -0.255 3.705 3.960 0.000 0.000 0.216 276 G C 1.350 175.410 174.900 -1.400 0.000 1.171 276 G CA 0.602 44.579 45.100 -1.872 0.000 0.775 276 G HN 0.306 nan 8.290 nan 0.000 0.543 277 N N 0.308 118.470 118.700 -0.898 0.000 2.348 277 N HA -0.039 4.701 4.740 0.000 0.000 0.185 277 N C 2.080 177.130 175.510 -0.767 0.000 1.019 277 N CA 0.644 53.226 53.050 -0.781 0.000 0.880 277 N CB -0.125 37.820 38.487 -0.903 0.000 0.965 277 N HN 0.342 nan 8.380 nan 0.000 0.437 278 L N -1.038 119.823 121.223 -0.602 0.000 2.298 278 L HA 0.153 4.493 4.340 0.000 0.000 0.209 278 L C 2.312 179.074 176.870 -0.180 0.000 1.084 278 L CA 0.571 55.208 54.840 -0.338 0.000 0.816 278 L CB -0.357 41.562 42.059 -0.234 0.000 0.967 278 L HN 0.094 nan 8.230 nan 0.000 0.460 279 G N -0.246 108.425 108.800 -0.214 0.000 2.422 279 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 279 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 279 G C 1.721 176.696 174.900 0.125 0.000 1.140 279 G CA 0.345 45.466 45.100 0.035 0.000 0.775 279 G HN 0.181 nan 8.290 nan 0.000 0.545 280 R N 0.304 120.822 120.500 0.031 0.000 2.055 280 R HA -0.024 4.316 4.340 0.000 0.000 0.228 280 R C 2.542 178.884 176.300 0.069 0.000 1.143 280 R CA 1.534 57.713 56.100 0.131 0.000 0.945 280 R CB -0.477 29.885 30.300 0.103 0.000 0.841 280 R HN 0.310 nan 8.270 nan 0.000 0.429 281 V N -0.691 119.224 119.914 0.002 0.000 3.559 281 V HA 0.225 4.345 4.120 0.000 0.000 0.272 281 V C 0.850 176.985 176.094 0.068 0.000 1.235 281 V CA 0.848 63.185 62.300 0.062 0.000 1.192 281 V CB -0.759 31.139 31.823 0.126 0.000 0.930 281 V HN 0.622 nan 8.190 nan 0.000 0.492 282 G N -0.563 108.273 108.800 0.060 0.000 2.153 282 G HA2 -0.266 3.694 3.960 0.000 0.000 0.252 282 G HA3 -0.266 3.694 3.960 0.000 0.000 0.252 282 G C 0.492 175.427 174.900 0.059 0.000 0.994 282 G CA 0.512 45.651 45.100 0.065 0.000 0.698 282 G HN 0.744 nan 8.290 nan 0.000 0.521 283 V N -0.840 119.104 119.914 0.050 0.000 2.599 283 V HA 0.281 4.401 4.120 0.000 0.000 0.245 283 V C 1.166 177.286 176.094 0.044 0.000 1.046 283 V CA 1.641 63.972 62.300 0.052 0.000 1.065 283 V CB 0.294 32.155 31.823 0.062 0.000 0.703 283 V HN 0.388 nan 8.190 nan 0.000 0.464 284 L N 2.072 123.320 121.223 0.041 0.000 2.356 284 L HA 0.551 4.891 4.340 0.000 0.000 0.264 284 L C -0.131 176.798 176.870 0.099 0.000 1.029 284 L CA 0.210 55.082 54.840 0.053 0.000 0.897 284 L CB 0.788 42.858 42.059 0.018 0.000 1.256 284 L HN 0.309 nan 8.230 nan 0.000 0.444 285 T N 1.138 115.744 114.554 0.086 0.000 2.906 285 T HA 0.571 4.921 4.350 0.000 0.000 0.295 285 T C -2.185 172.562 174.700 0.078 0.000 1.061 285 T CA -1.728 60.427 62.100 0.092 0.000 1.000 285 T CB 1.902 70.814 68.868 0.073 0.000 1.103 285 T HN 0.292 nan 8.240 nan 0.000 0.486 286 P HA -0.028 nan 4.420 nan 0.000 0.226 286 P C 0.436 177.764 177.300 0.047 0.000 1.146 286 P CA 0.817 63.954 63.100 0.062 0.000 0.773 286 P CB 0.099 31.830 31.700 0.052 0.000 0.772 287 N N -0.445 118.280 118.700 0.043 0.000 2.200 287 N HA 0.016 4.756 4.740 0.000 0.000 0.224 287 N C -0.209 175.320 175.510 0.033 0.000 1.179 287 N CA 0.102 53.172 53.050 0.034 0.000 0.877 287 N CB 0.352 38.856 38.487 0.029 0.000 1.072 287 N HN 0.077 nan 8.380 nan 0.000 0.519 288 D N 0.001 120.424 120.400 0.038 0.000 2.551 288 D HA 0.260 4.900 4.640 0.000 0.000 0.294 288 D C 0.561 176.881 176.300 0.033 0.000 1.201 288 D CA -0.236 53.785 54.000 0.035 0.000 0.941 288 D CB 0.359 41.182 40.800 0.039 0.000 0.995 288 D HN -0.227 nan 8.370 nan 0.000 0.502 289 S N 0.472 116.190 115.700 0.029 0.000 2.400 289 S HA -0.180 4.290 4.470 0.000 0.000 0.232 289 S C 2.017 176.632 174.600 0.024 0.000 1.025 289 S CA 1.172 59.389 58.200 0.027 0.000 0.993 289 S CB 0.011 63.225 63.200 0.024 0.000 0.808 289 S HN 0.624 nan 8.310 nan 0.000 0.478 290 A N 1.306 124.139 122.820 0.022 0.000 1.877 290 A HA -0.124 4.196 4.320 0.000 0.000 0.216 290 A C 2.363 179.959 177.584 0.021 0.000 1.186 290 A CA 2.108 54.157 52.037 0.020 0.000 0.620 290 A CB -1.314 17.697 19.000 0.018 0.000 0.822 290 A HN 0.481 nan 8.150 nan 0.000 0.443 291 T N -0.475 114.093 114.554 0.024 0.000 2.812 291 T HA -0.075 4.275 4.350 0.000 0.000 0.264 291 T C 1.888 176.601 174.700 0.021 0.000 1.042 291 T CA 1.313 63.428 62.100 0.025 0.000 1.140 291 T CB -0.415 68.471 68.868 0.030 0.000 0.870 291 T HN 0.128 nan 8.240 nan 0.000 0.445 292 V N 1.616 121.545 119.914 0.025 0.000 2.252 292 V HA -0.240 3.881 4.120 0.000 0.000 0.249 292 V C 2.705 178.810 176.094 0.019 0.000 1.056 292 V CA 1.950 64.264 62.300 0.025 0.000 1.022 292 V CB -0.651 31.194 31.823 0.037 0.000 0.641 292 V HN 0.366 nan 8.190 nan 0.000 0.445 293 Q N 0.041 119.853 119.800 0.020 0.000 2.124 293 Q HA -0.106 4.234 4.340 0.000 0.000 0.202 293 Q C 2.112 178.121 176.000 0.015 0.000 0.977 293 Q CA 2.060 57.873 55.803 0.018 0.000 0.850 293 Q CB -0.612 28.136 28.738 0.017 0.000 0.901 293 Q HN 0.624 nan 8.270 nan 0.000 0.429 294 A N -0.799 122.030 122.820 0.015 0.000 1.930 294 A HA -0.108 4.212 4.320 0.000 0.000 0.217 294 A C 2.249 179.841 177.584 0.013 0.000 1.175 294 A CA 1.532 53.577 52.037 0.014 0.000 0.627 294 A CB -0.732 18.278 19.000 0.016 0.000 0.815 294 A HN 0.260 nan 8.150 nan 0.000 0.443 295 V N 0.257 120.175 119.914 0.008 0.000 2.295 295 V HA -0.271 3.849 4.120 0.000 0.000 0.246 295 V C 2.421 178.512 176.094 -0.005 0.000 1.049 295 V CA 2.029 64.327 62.300 -0.004 0.000 1.024 295 V CB -0.701 31.102 31.823 -0.033 0.000 0.648 295 V HN 0.582 nan 8.190 nan 0.000 0.447 296 I N -0.131 120.439 120.570 -0.001 0.000 2.151 296 I HA -0.256 3.914 4.170 0.000 0.000 0.243 296 I C 2.660 178.785 176.117 0.013 0.000 1.080 296 I CA 1.512 62.816 61.300 0.007 0.000 1.339 296 I CB -0.459 37.550 38.000 0.015 0.000 1.039 296 I HN 0.336 nan 8.210 nan 0.000 0.409 297 E N 0.808 121.016 120.200 0.014 0.000 2.110 297 E HA -0.195 4.155 4.350 0.000 0.000 0.193 297 E C 2.293 178.903 176.600 0.018 0.000 0.988 297 E CA 1.208 57.618 56.400 0.016 0.000 0.804 297 E CB -0.266 29.442 29.700 0.014 0.000 0.745 297 E HN 0.545 nan 8.360 nan 0.000 0.458 298 R N 0.285 120.796 120.500 0.018 0.000 2.092 298 R HA 0.034 4.374 4.340 0.000 0.000 0.231 298 R C 2.619 178.934 176.300 0.025 0.000 1.119 298 R CA 0.688 56.803 56.100 0.024 0.000 0.970 298 R CB -0.325 29.993 30.300 0.030 0.000 0.864 298 R HN 0.137 nan 8.270 nan 0.000 0.440 299 L N 0.464 121.698 121.223 0.019 0.000 2.201 299 L HA -0.081 4.259 4.340 0.000 0.000 0.212 299 L C 1.768 178.657 176.870 0.032 0.000 1.105 299 L CA 1.359 56.211 54.840 0.021 0.000 0.775 299 L CB -0.329 41.733 42.059 0.006 0.000 0.913 299 L HN 0.354 nan 8.230 nan 0.000 0.440 300 T N -5.589 108.982 114.554 0.029 0.000 3.129 300 T HA 0.075 4.425 4.350 0.000 0.000 0.267 300 T C 0.319 175.036 174.700 0.027 0.000 1.018 300 T CA -0.529 61.591 62.100 0.033 0.000 0.903 300 T CB -0.118 68.769 68.868 0.032 0.000 1.067 300 T HN -0.059 nan 8.240 nan 0.000 0.549 301 D N 2.919 123.334 120.400 0.025 0.000 2.344 301 D HA 0.217 4.857 4.640 0.000 0.000 0.253 301 D C -1.547 174.766 176.300 0.022 0.000 1.255 301 D CA -2.295 51.718 54.000 0.022 0.000 0.894 301 D CB 1.745 42.557 40.800 0.021 0.000 1.067 301 D HN 0.047 nan 8.370 nan 0.000 0.492 302 P HA -0.112 nan 4.420 nan 0.000 0.216 302 P C 0.929 178.238 177.300 0.016 0.000 1.150 302 P CA 1.351 64.462 63.100 0.017 0.000 0.837 302 P CB 0.213 31.921 31.700 0.013 0.000 0.786 303 A N -0.273 122.556 122.820 0.015 0.000 1.969 303 A HA -0.017 4.303 4.320 0.000 0.000 0.218 303 A C 2.260 179.855 177.584 0.018 0.000 1.169 303 A CA 1.847 53.892 52.037 0.014 0.000 0.635 303 A CB -1.422 17.585 19.000 0.012 0.000 0.810 303 A HN 0.201 nan 8.150 nan 0.000 0.445 304 A N -0.459 122.373 122.820 0.021 0.000 1.970 304 A HA 0.165 4.485 4.320 0.000 0.000 0.216 304 A C 2.093 179.695 177.584 0.030 0.000 1.170 304 A CA 1.006 53.059 52.037 0.026 0.000 0.645 304 A CB -0.456 18.561 19.000 0.028 0.000 0.816 304 A HN 0.429 nan 8.150 nan 0.000 0.447 305 L N -0.316 120.923 121.223 0.028 0.000 2.017 305 L HA -0.217 4.123 4.340 0.000 0.000 0.208 305 L C 2.643 179.526 176.870 0.022 0.000 1.073 305 L CA 2.064 56.921 54.840 0.028 0.000 0.745 305 L CB -0.379 41.695 42.059 0.026 0.000 0.894 305 L HN 0.474 nan 8.230 nan 0.000 0.432 306 K N 0.505 120.915 120.400 0.018 0.000 2.025 306 K HA -0.238 4.082 4.320 0.000 0.000 0.207 306 K C 2.365 178.976 176.600 0.018 0.000 1.049 306 K CA 1.541 57.836 56.287 0.014 0.000 0.933 306 K CB -0.086 32.421 32.500 0.011 0.000 0.714 306 K HN 0.096 nan 8.250 nan 0.000 0.438 307 R N -0.243 120.269 120.500 0.021 0.000 2.115 307 R HA -0.062 4.278 4.340 0.000 0.000 0.230 307 R C 1.958 178.276 176.300 0.029 0.000 1.111 307 R CA 1.618 57.732 56.100 0.023 0.000 0.976 307 R CB -0.368 29.945 30.300 0.022 0.000 0.870 307 R HN 0.346 nan 8.270 nan 0.000 0.445 308 G N -0.102 108.718 108.800 0.034 0.000 2.920 308 G HA2 -0.072 3.888 3.960 0.000 0.000 0.208 308 G HA3 -0.072 3.888 3.960 0.000 0.000 0.208 308 G C -0.047 174.879 174.900 0.043 0.000 1.159 308 G CA -0.146 44.980 45.100 0.043 0.000 0.784 308 G HN 0.353 nan 8.290 nan 0.000 0.535 309 R N -0.653 119.868 120.500 0.034 0.000 3.333 309 R HA -0.141 4.199 4.340 0.000 0.000 0.256 309 R C -0.437 175.891 176.300 0.047 0.000 1.010 309 R CA 0.171 56.292 56.100 0.034 0.000 0.680 309 R CB -1.953 28.368 30.300 0.036 0.000 1.102 309 R HN 0.210 nan 8.270 nan 0.000 0.440 310 I N 1.396 121.991 120.570 0.042 0.000 2.533 310 I HA 0.019 4.189 4.170 0.000 0.000 0.284 310 I C 1.481 177.626 176.117 0.047 0.000 1.109 310 I CA 0.113 61.447 61.300 0.057 0.000 1.412 310 I CB 0.102 38.133 38.000 0.052 0.000 1.396 310 I HN 0.150 nan 8.210 nan 0.000 0.543 311 H N 8.944 128.001 119.070 -0.022 0.000 2.511 311 H HA 0.205 4.761 4.556 0.000 0.000 0.346 311 H C -1.780 173.505 175.328 -0.071 0.000 1.128 311 H CA -1.587 54.420 56.048 -0.067 0.000 1.342 311 H CB 2.042 31.777 29.762 -0.045 0.000 1.470 311 H HN 0.247 nan 8.280 nan 0.000 0.546 312 P HA -0.149 nan 4.420 nan 0.000 0.216 312 P C 1.791 179.233 177.300 0.237 0.000 1.150 312 P CA 1.135 64.055 63.100 -0.300 0.000 0.843 312 P CB 0.222 31.282 31.700 -1.068 0.000 0.787 313 L N -0.805 120.668 121.223 0.417 0.000 2.191 313 L HA -0.173 4.167 4.340 0.000 0.000 0.212 313 L C 1.922 178.950 176.870 0.265 0.000 1.103 313 L CA 1.309 56.383 54.840 0.390 0.000 0.769 313 L CB -0.910 41.365 42.059 0.359 0.000 0.908 313 L HN -0.007 nan 8.230 nan 0.000 0.438 314 D N 0.341 120.883 120.400 0.237 0.000 2.117 314 D HA -0.160 4.480 4.640 0.000 0.000 0.197 314 D C 2.223 178.611 176.300 0.148 0.000 0.987 314 D CA 1.570 55.662 54.000 0.153 0.000 0.829 314 D CB 0.059 40.937 40.800 0.129 0.000 0.961 314 D HN 0.327 nan 8.370 nan 0.000 0.460 315 A N 0.586 123.519 122.820 0.189 0.000 1.929 315 A HA -0.086 4.234 4.320 0.000 0.000 0.216 315 A C 2.112 179.808 177.584 0.187 0.000 1.176 315 A CA 0.690 52.840 52.037 0.188 0.000 0.628 315 A CB -0.573 18.570 19.000 0.238 0.000 0.816 315 A HN 0.207 nan 8.150 nan 0.000 0.444 316 L N 0.334 121.703 121.223 0.242 0.000 2.017 316 L HA -0.139 4.201 4.340 0.000 0.000 0.208 316 L C 2.296 179.219 176.870 0.088 0.000 1.073 316 L CA 2.644 57.548 54.840 0.106 0.000 0.745 316 L CB -0.649 41.460 42.059 0.084 0.000 0.894 316 L HN 0.488 nan 8.230 nan 0.000 0.432 317 K N -0.657 119.812 120.400 0.114 0.000 2.032 317 K HA -0.188 4.132 4.320 0.000 0.000 0.209 317 K C 1.967 178.620 176.600 0.088 0.000 1.048 317 K CA 1.500 57.844 56.287 0.094 0.000 0.927 317 K CB -0.277 32.280 32.500 0.095 0.000 0.712 317 K HN 0.415 nan 8.250 nan 0.000 0.441 318 A N 1.693 124.564 122.820 0.084 0.000 1.908 318 A HA -0.213 4.107 4.320 0.000 0.000 0.218 318 A C 2.182 179.838 177.584 0.119 0.000 1.181 318 A CA 1.781 53.861 52.037 0.070 0.000 0.627 318 A CB -0.625 18.394 19.000 0.031 0.000 0.818 318 A HN 0.485 nan 8.150 nan 0.000 0.445 319 R N -0.329 120.241 120.500 0.116 0.000 2.073 319 R HA -0.064 4.276 4.340 0.000 0.000 0.234 319 R C 1.993 178.382 176.300 0.149 0.000 1.134 319 R CA 1.665 57.853 56.100 0.147 0.000 0.952 319 R CB -0.439 29.912 30.300 0.086 0.000 0.850 319 R HN 0.498 nan 8.270 nan 0.000 0.433 320 L N 0.088 121.368 121.223 0.094 0.000 2.017 320 L HA -0.157 4.183 4.340 0.000 0.000 0.208 320 L C 2.486 179.419 176.870 0.105 0.000 1.073 320 L CA 0.995 55.877 54.840 0.070 0.000 0.745 320 L CB -0.451 41.634 42.059 0.042 0.000 0.894 320 L HN 0.086 nan 8.230 nan 0.000 0.432 321 V N -0.823 119.173 119.914 0.137 0.000 2.287 321 V HA -0.346 3.774 4.120 0.000 0.000 0.248 321 V C 2.269 178.557 176.094 0.323 0.000 1.053 321 V CA 2.065 64.475 62.300 0.183 0.000 1.027 321 V CB -0.680 31.232 31.823 0.149 0.000 0.646 321 V HN 0.415 nan 8.190 nan 0.000 0.447 322 Y N 1.422 121.836 120.300 0.190 0.000 2.200 322 Y HA -0.120 4.430 4.550 -0.000 0.000 0.290 322 Y C 2.313 178.433 175.900 0.368 0.000 1.137 322 Y CA 1.212 59.493 58.100 0.301 0.000 1.163 322 Y CB -0.579 37.951 38.460 0.117 0.000 0.988 322 Y HN 0.152 nan 8.280 nan 0.000 0.518 323 A N -0.069 122.786 122.820 0.058 0.000 2.172 323 A HA -0.121 4.199 4.320 0.000 0.000 0.216 323 A C 2.004 179.493 177.584 -0.160 0.000 1.154 323 A CA 1.087 53.057 52.037 -0.111 0.000 0.701 323 A CB -0.437 18.550 19.000 -0.021 0.000 0.789 323 A HN 0.520 nan 8.150 nan 0.000 0.465 324 Q N -1.124 118.609 119.800 -0.111 0.000 2.119 324 Q HA -0.029 4.311 4.340 0.000 0.000 0.201 324 Q C 1.592 177.297 176.000 -0.491 0.000 0.972 324 Q CA 1.167 56.843 55.803 -0.212 0.000 0.847 324 Q CB -0.496 28.168 28.738 -0.124 0.000 0.903 324 Q HN 0.986 nan 8.270 nan 0.000 0.433 325 G N 1.207 109.489 108.800 -0.864 0.000 2.153 325 G HA2 -0.299 3.661 3.960 0.000 0.000 0.252 325 G HA3 -0.299 3.661 3.960 0.000 0.000 0.252 325 G C 0.049 173.805 174.900 -1.905 0.000 0.994 325 G CA 0.795 44.847 45.100 -1.747 0.000 0.698 325 G HN 0.367 nan 8.290 nan 0.000 0.521 326 Q N -0.903 117.947 119.800 -1.584 0.000 2.352 326 Q HA 0.543 4.883 4.340 0.000 0.000 0.270 326 Q C 0.357 176.162 176.000 -0.324 0.000 1.006 326 Q CA -0.115 55.192 55.803 -0.827 0.000 0.880 326 Q CB 1.104 29.591 28.738 -0.418 0.000 1.392 326 Q HN 0.649 nan 8.270 nan 0.000 0.401 327 G N 1.325 110.160 108.800 0.058 0.000 2.606 327 G HA2 0.509 4.469 3.960 0.000 0.000 0.262 327 G HA3 0.509 4.469 3.960 0.000 0.000 0.262 327 G C -0.310 174.649 174.900 0.098 0.000 1.394 327 G CA -0.234 45.006 45.100 0.234 0.000 1.044 327 G HN 0.455 nan 8.290 nan 0.000 0.553 328 V N -0.180 119.793 119.914 0.098 0.000 3.799 328 V HA 0.258 4.378 4.120 0.000 0.000 0.273 328 V C 0.875 176.999 176.094 0.049 0.000 0.973 328 V CA -0.648 61.687 62.300 0.058 0.000 0.979 328 V CB 0.448 32.303 31.823 0.053 0.000 1.242 328 V HN 0.785 nan 8.190 nan 0.000 0.426 329 R N 1.208 121.730 120.500 0.037 0.000 2.587 329 R HA 0.166 4.506 4.340 0.000 0.000 0.268 329 R C 1.178 177.503 176.300 0.041 0.000 0.978 329 R CA 0.712 56.831 56.100 0.032 0.000 1.097 329 R CB -0.906 29.410 30.300 0.027 0.000 0.917 329 R HN 1.226 nan 8.270 nan 0.000 0.414 330 G N 1.254 110.077 108.800 0.038 0.000 2.205 330 G HA2 -0.392 3.568 3.960 0.000 0.000 0.269 330 G HA3 -0.392 3.568 3.960 0.000 0.000 0.269 330 G C 0.092 175.028 174.900 0.061 0.000 0.977 330 G CA 0.959 46.086 45.100 0.045 0.000 0.652 330 G HN 0.588 nan 8.290 nan 0.000 0.539 331 K N 0.291 120.736 120.400 0.075 0.000 2.120 331 K HA 0.516 4.836 4.320 0.000 0.000 0.245 331 K C 1.415 178.080 176.600 0.108 0.000 1.024 331 K CA -0.045 56.308 56.287 0.110 0.000 0.906 331 K CB 0.543 33.137 32.500 0.157 0.000 1.051 331 K HN 0.225 nan 8.250 nan 0.000 0.491 332 G N -0.266 108.623 108.800 0.148 0.000 2.882 332 G HA2 0.341 4.301 3.960 0.000 0.000 0.164 332 G HA3 0.341 4.301 3.960 0.000 0.000 0.164 332 G C -0.433 174.539 174.900 0.120 0.000 1.429 332 G CA -0.203 44.969 45.100 0.120 0.000 1.059 332 G HN 0.631 nan 8.290 nan 0.000 0.581 333 T N -3.079 111.536 114.554 0.101 0.000 2.888 333 T HA 0.706 5.056 4.350 0.000 0.000 0.288 333 T C -1.130 173.686 174.700 0.193 0.000 1.063 333 T CA -0.609 61.464 62.100 -0.046 0.000 1.010 333 T CB 2.096 70.873 68.868 -0.152 0.000 1.214 333 T HN 1.256 nan 8.240 nan 0.000 0.533 334 W N 0.056 121.328 121.300 -0.047 0.000 2.959 334 W HA 0.718 5.378 4.660 -0.000 0.000 0.358 334 W C -2.484 173.992 176.519 -0.072 0.000 1.228 334 W CA -1.402 55.917 57.345 -0.043 0.000 1.183 334 W CB 0.820 30.264 29.460 -0.027 0.000 1.467 334 W HN 0.625 nan 8.180 nan 0.000 0.578 335 L N 3.540 124.874 121.223 0.184 0.000 2.301 335 L HA 0.587 4.927 4.340 0.000 0.000 0.278 335 L C -2.470 174.466 176.870 0.110 0.000 1.022 335 L CA -2.573 52.294 54.840 0.045 0.000 0.854 335 L CB 0.345 42.429 42.059 0.043 0.000 1.226 335 L HN 0.140 nan 8.230 nan 0.000 0.429 336 P HA 0.020 nan 4.420 nan 0.000 0.263 336 P C -0.754 176.564 177.300 0.030 0.000 1.195 336 P CA 0.034 62.995 63.100 -0.230 0.000 0.762 336 P CB 0.476 31.918 31.700 -0.430 0.000 0.799 337 V N 7.819 127.890 119.914 0.262 0.000 2.427 337 V HA 0.071 4.191 4.120 0.000 0.000 0.268 337 V C -1.211 175.000 176.094 0.195 0.000 1.046 337 V CA -1.042 61.384 62.300 0.210 0.000 0.970 337 V CB 0.900 32.853 31.823 0.217 0.000 1.001 337 V HN 0.540 nan 8.190 nan 0.000 0.476 338 P HA -0.124 nan 4.420 nan 0.000 0.215 338 P C 1.570 178.926 177.300 0.095 0.000 1.157 338 P CA 1.340 64.491 63.100 0.085 0.000 0.874 338 P CB 0.123 31.852 31.700 0.048 0.000 0.790 339 R N -0.869 119.681 120.500 0.083 0.000 2.237 339 R HA -0.025 4.315 4.340 0.000 0.000 0.219 339 R C 1.942 178.288 176.300 0.076 0.000 1.080 339 R CA 0.649 56.789 56.100 0.068 0.000 0.995 339 R CB -0.682 29.649 30.300 0.051 0.000 0.875 339 R HN 0.141 nan 8.270 nan 0.000 0.462 340 V N -0.163 119.817 119.914 0.109 0.000 2.346 340 V HA -0.170 3.950 4.120 0.000 0.000 0.244 340 V C 2.226 178.391 176.094 0.117 0.000 1.037 340 V CA 1.266 63.616 62.300 0.082 0.000 1.029 340 V CB -0.152 31.698 31.823 0.045 0.000 0.663 340 V HN 0.079 nan 8.190 nan 0.000 0.454 341 V N 0.411 120.459 119.914 0.223 0.000 2.324 341 V HA -0.320 3.800 4.120 0.000 0.000 0.250 341 V C 2.335 178.493 176.094 0.106 0.000 1.060 341 V CA 2.365 64.782 62.300 0.195 0.000 1.042 341 V CB -0.709 31.214 31.823 0.166 0.000 0.650 341 V HN 0.561 nan 8.190 nan 0.000 0.450 342 D N 0.148 120.598 120.400 0.084 0.000 2.123 342 D HA -0.135 4.505 4.640 0.000 0.000 0.196 342 D C 2.205 178.540 176.300 0.059 0.000 0.992 342 D CA 1.701 55.736 54.000 0.059 0.000 0.833 342 D CB -0.308 40.521 40.800 0.049 0.000 0.954 342 D HN 0.463 nan 8.370 nan 0.000 0.455 343 A N 0.343 123.197 122.820 0.057 0.000 1.969 343 A HA -0.079 4.241 4.320 0.000 0.000 0.218 343 A C 2.364 179.986 177.584 0.063 0.000 1.169 343 A CA 0.686 52.753 52.037 0.050 0.000 0.635 343 A CB -0.626 18.394 19.000 0.033 0.000 0.810 343 A HN 0.217 nan 8.150 nan 0.000 0.445 344 L N -0.802 120.461 121.223 0.067 0.000 2.141 344 L HA -0.177 4.163 4.340 0.000 0.000 0.209 344 L C 2.450 179.392 176.870 0.121 0.000 1.094 344 L CA 1.347 56.238 54.840 0.085 0.000 0.763 344 L CB -0.456 41.651 42.059 0.079 0.000 0.908 344 L HN 0.455 nan 8.230 nan 0.000 0.437 345 E N -0.216 120.041 120.200 0.095 0.000 2.150 345 E HA -0.253 4.097 4.350 0.000 0.000 0.193 345 E C 2.038 178.742 176.600 0.174 0.000 0.985 345 E CA 0.993 57.456 56.400 0.104 0.000 0.814 345 E CB 0.071 29.799 29.700 0.047 0.000 0.752 345 E HN 0.444 nan 8.360 nan 0.000 0.466 346 E N 0.505 120.780 120.200 0.125 0.000 2.072 346 E HA -0.148 4.202 4.350 0.000 0.000 0.190 346 E C 2.040 178.720 176.600 0.133 0.000 0.982 346 E CA 0.793 57.260 56.400 0.112 0.000 0.803 346 E CB -0.020 29.721 29.700 0.069 0.000 0.755 346 E HN 0.207 nan 8.360 nan 0.000 0.453 347 A N 0.859 123.760 122.820 0.135 0.000 1.908 347 A HA -0.205 4.115 4.320 0.000 0.000 0.218 347 A C 1.988 179.684 177.584 0.187 0.000 1.181 347 A CA 1.405 53.520 52.037 0.130 0.000 0.627 347 A CB -0.963 18.102 19.000 0.109 0.000 0.818 347 A HN 0.531 nan 8.150 nan 0.000 0.445 348 F N 1.450 121.458 119.950 0.097 0.000 2.065 348 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 348 F C 2.473 178.443 175.800 0.284 0.000 1.112 348 F CA 2.521 60.614 58.000 0.155 0.000 1.212 348 F CB -0.773 38.316 39.000 0.149 0.000 0.975 348 F HN 0.214 nan 8.300 nan 0.000 0.476 349 T N 1.563 116.258 114.554 0.235 0.000 2.746 349 T HA -0.159 4.191 4.350 0.000 0.000 0.267 349 T C 2.115 176.844 174.700 0.048 0.000 1.039 349 T CA 1.748 63.860 62.100 0.021 0.000 1.142 349 T CB -0.553 68.323 68.868 0.013 0.000 0.866 349 T HN 0.259 nan 8.240 nan 0.000 0.444 350 L N 0.752 122.016 121.223 0.067 0.000 2.201 350 L HA -0.003 4.337 4.340 0.000 0.000 0.212 350 L C 2.913 179.812 176.870 0.048 0.000 1.105 350 L CA 0.883 55.750 54.840 0.046 0.000 0.775 350 L CB -0.585 41.499 42.059 0.041 0.000 0.913 350 L HN 0.234 nan 8.230 nan 0.000 0.440 351 A N -0.498 122.345 122.820 0.038 0.000 2.066 351 A HA -0.119 4.201 4.320 0.000 0.000 0.218 351 A C 1.996 179.508 177.584 -0.120 0.000 1.157 351 A CA 0.778 52.783 52.037 -0.053 0.000 0.670 351 A CB -0.680 18.254 19.000 -0.110 0.000 0.804 351 A HN 0.316 nan 8.150 nan 0.000 0.453 352 F N 0.379 120.168 119.950 -0.268 0.000 2.161 352 F HA -0.151 4.376 4.527 0.000 0.000 0.300 352 F C 2.543 178.244 175.800 -0.164 0.000 1.089 352 F CA 1.097 58.942 58.000 -0.258 0.000 1.282 352 F CB -0.395 38.456 39.000 -0.247 0.000 1.010 352 F HN 0.347 nan 8.300 nan 0.000 0.485 353 G N -0.578 108.262 108.800 0.067 0.000 2.535 353 G HA2 -0.241 3.719 3.960 0.000 0.000 0.218 353 G HA3 -0.241 3.719 3.960 0.000 0.000 0.218 353 G C 0.901 175.796 174.900 -0.010 0.000 1.122 353 G CA 0.879 45.992 45.100 0.021 0.000 0.769 353 G HN 0.436 nan 8.290 nan 0.000 0.549 354 N N -0.837 117.839 118.700 -0.039 0.000 2.204 354 N HA 0.223 4.963 4.740 0.000 0.000 0.219 354 N C -0.428 175.044 175.510 -0.062 0.000 1.151 354 N CA -0.385 52.641 53.050 -0.040 0.000 0.867 354 N CB 1.575 40.045 38.487 -0.028 0.000 1.043 354 N HN 0.020 nan 8.380 nan 0.000 0.516 355 V N 2.148 121.997 119.914 -0.109 0.000 2.508 355 V HA 0.036 4.156 4.120 0.000 0.000 0.281 355 V C 0.156 176.226 176.094 -0.041 0.000 1.041 355 V CA -0.231 62.002 62.300 -0.111 0.000 1.016 355 V CB 1.033 32.726 31.823 -0.217 0.000 0.984 355 V HN 0.253 nan 8.190 nan 0.000 0.478 356 Q N 6.181 125.977 119.800 -0.007 0.000 2.344 356 Q HA 0.317 4.657 4.340 0.000 0.000 0.253 356 Q C -2.261 173.743 176.000 0.007 0.000 1.050 356 Q CA -1.830 53.975 55.803 0.003 0.000 0.912 356 Q CB 0.711 29.456 28.738 0.012 0.000 1.258 356 Q HN 0.512 nan 8.270 nan 0.000 0.443 357 P HA 0.123 nan 4.420 nan 0.000 0.274 357 P C 0.140 177.454 177.300 0.023 0.000 1.237 357 P CA -0.156 62.942 63.100 -0.003 0.000 0.793 357 P CB 0.811 32.505 31.700 -0.011 0.000 0.977 358 A N 2.183 125.032 122.820 0.049 0.000 2.015 358 A HA -0.111 4.209 4.320 0.000 0.000 0.219 358 A C 1.072 178.699 177.584 0.072 0.000 1.163 358 A CA 1.322 53.416 52.037 0.095 0.000 0.646 358 A CB -1.356 17.783 19.000 0.231 0.000 0.806 358 A HN 0.696 nan 8.150 nan 0.000 0.448 359 N N -0.746 117.989 118.700 0.058 0.000 2.758 359 N HA -0.138 4.602 4.740 0.000 0.000 0.248 359 N C -0.085 175.466 175.510 0.068 0.000 1.076 359 N CA 1.300 54.379 53.050 0.048 0.000 0.696 359 N CB -1.726 36.777 38.487 0.027 0.000 0.979 359 N HN 0.858 nan 8.380 nan 0.000 0.550 360 T N -2.729 111.906 114.554 0.134 0.000 2.901 360 T HA 0.664 5.014 4.350 0.000 0.000 0.293 360 T C -0.032 174.796 174.700 0.213 0.000 1.084 360 T CA -1.046 61.127 62.100 0.122 0.000 1.008 360 T CB 1.462 70.364 68.868 0.057 0.000 1.170 360 T HN 0.247 nan 8.240 nan 0.000 0.509 361 R N 1.563 122.117 120.500 0.091 0.000 2.234 361 R HA 0.372 4.712 4.340 0.000 0.000 0.324 361 R C -0.031 176.286 176.300 0.027 0.000 1.054 361 R CA -0.536 55.613 56.100 0.082 0.000 0.912 361 R CB 0.329 30.640 30.300 0.019 0.000 1.030 361 R HN 0.611 nan 8.270 nan 0.000 0.455 362 H N 2.289 121.324 119.070 -0.060 0.000 2.472 362 H HA 0.290 4.846 4.556 0.000 0.000 0.338 362 H C -0.867 174.410 175.328 -0.085 0.000 1.133 362 H CA -0.953 55.050 56.048 -0.074 0.000 1.216 362 H CB 2.309 32.075 29.762 0.006 0.000 1.497 362 H HN 0.129 nan 8.280 nan 0.000 0.500 363 L N 3.999 125.178 121.223 -0.073 0.000 2.343 363 L HA 0.274 4.614 4.340 0.000 0.000 0.278 363 L C -1.606 175.338 176.870 0.122 0.000 0.996 363 L CA -0.604 54.244 54.840 0.012 0.000 0.831 363 L CB 1.015 43.044 42.059 -0.050 0.000 1.232 363 L HN 0.375 nan 8.230 nan 0.000 0.413 364 L N 5.152 126.467 121.223 0.153 0.000 2.272 364 L HA 0.772 5.112 4.340 0.000 0.000 0.289 364 L C -0.013 176.950 176.870 0.154 0.000 1.032 364 L CA -0.148 54.818 54.840 0.211 0.000 0.810 364 L CB 1.527 43.732 42.059 0.242 0.000 1.205 364 L HN 0.758 nan 8.230 nan 0.000 0.422 365 A N 4.893 127.838 122.820 0.210 0.000 2.267 365 A HA 0.720 5.040 4.320 0.000 0.000 0.315 365 A C -1.032 176.728 177.584 0.294 0.000 1.297 365 A CA -0.462 51.651 52.037 0.127 0.000 0.865 365 A CB 0.267 19.385 19.000 0.196 0.000 1.165 365 A HN 0.447 nan 8.150 nan 0.000 0.513 366 L N 2.425 123.758 121.223 0.184 0.000 2.275 366 L HA 0.316 4.656 4.340 0.000 0.000 0.288 366 L C 0.371 177.461 176.870 0.366 0.000 1.046 366 L CA -0.296 54.695 54.840 0.252 0.000 0.805 366 L CB 1.244 43.362 42.059 0.099 0.000 1.193 366 L HN 0.682 nan 8.230 nan 0.000 0.426 367 D N 2.198 122.796 120.400 0.330 0.000 2.450 367 D HA 0.029 4.669 4.640 0.000 0.000 0.247 367 D C 0.638 176.980 176.300 0.070 0.000 1.162 367 D CA 0.213 54.317 54.000 0.172 0.000 0.879 367 D CB 1.199 41.987 40.800 -0.018 0.000 1.163 367 D HN 0.362 nan 8.370 nan 0.000 0.472 368 V N 1.288 121.233 119.914 0.051 0.000 3.276 368 V HA 0.201 4.321 4.120 0.000 0.000 0.319 368 V C 0.709 176.752 176.094 -0.085 0.000 1.427 368 V CA -0.128 62.170 62.300 -0.003 0.000 1.102 368 V CB -0.494 31.348 31.823 0.032 0.000 1.020 368 V HN 0.437 nan 8.190 nan 0.000 0.456 369 S N 0.601 116.144 115.700 -0.262 0.000 2.624 369 S HA 0.557 5.027 4.470 0.000 0.000 0.263 369 S C 1.549 175.926 174.600 -0.371 0.000 1.287 369 S CA 0.317 58.150 58.200 -0.611 0.000 0.990 369 S CB 1.133 63.504 63.200 -1.382 0.000 0.950 369 S HN 0.628 nan 8.310 nan 0.000 0.561 370 G N 0.749 109.348 108.800 -0.336 0.000 2.432 370 G HA2 -0.205 3.755 3.960 0.000 0.000 0.219 370 G HA3 -0.205 3.755 3.960 0.000 0.000 0.219 370 G C 1.573 176.386 174.900 -0.146 0.000 1.135 370 G CA 0.910 45.917 45.100 -0.156 0.000 0.767 370 G HN 1.063 nan 8.290 nan 0.000 0.550 371 S N 0.210 115.794 115.700 -0.193 0.000 2.474 371 S HA -0.016 4.454 4.470 0.000 0.000 0.235 371 S C 2.225 176.755 174.600 -0.116 0.000 0.997 371 S CA 1.001 59.119 58.200 -0.136 0.000 0.949 371 S CB -0.256 62.860 63.200 -0.141 0.000 0.766 371 S HN 0.155 nan 8.310 nan 0.000 0.517 372 M N 2.683 122.202 119.600 -0.135 0.000 2.446 372 M HA -0.038 4.442 4.480 0.000 0.000 0.263 372 M C 2.173 178.427 176.300 -0.078 0.000 1.066 372 M CA 1.695 56.934 55.300 -0.102 0.000 1.087 372 M CB -1.917 30.622 32.600 -0.101 0.000 1.406 372 M HN 0.730 nan 8.290 nan 0.000 0.459 373 T N -3.736 110.774 114.554 -0.074 0.000 3.148 373 T HA 0.063 4.413 4.350 0.000 0.000 0.253 373 T C 0.668 175.340 174.700 -0.048 0.000 1.134 373 T CA -0.313 61.753 62.100 -0.057 0.000 1.051 373 T CB -0.599 68.239 68.868 -0.050 0.000 0.959 373 T HN 0.368 nan 8.240 nan 0.000 0.525 374 C N 1.111 120.381 119.300 -0.050 0.000 2.411 374 C HA 0.838 5.298 4.460 0.000 0.000 0.330 374 C C 0.730 175.701 174.990 -0.031 0.000 1.224 374 C CA 0.888 59.884 59.018 -0.038 0.000 1.770 374 C CB 0.102 27.819 27.740 -0.037 0.000 2.297 374 C HN 1.163 nan 8.230 nan 0.000 0.507 375 G N 4.814 113.601 108.800 -0.021 0.000 2.576 375 G HA2 0.090 4.050 3.960 0.000 0.000 0.686 375 G HA3 0.090 4.050 3.960 0.000 0.000 0.686 375 G C -1.648 173.249 174.900 -0.004 0.000 1.242 375 G CA -0.625 44.469 45.100 -0.011 0.000 0.819 375 G HN 0.746 nan 8.290 nan 0.000 0.655 376 D N 0.824 121.229 120.400 0.009 0.000 2.477 376 D HA 0.404 5.044 4.640 0.000 0.000 0.239 376 D C 0.767 177.089 176.300 0.036 0.000 1.102 376 D CA -0.214 53.797 54.000 0.019 0.000 0.901 376 D CB 1.655 42.468 40.800 0.020 0.000 1.026 376 D HN 0.401 nan 8.370 nan 0.000 0.515 377 V N 1.532 121.469 119.914 0.040 0.000 2.599 377 V HA 0.197 4.317 4.120 0.000 0.000 0.300 377 V C 1.322 177.480 176.094 0.106 0.000 1.034 377 V CA 0.271 62.615 62.300 0.072 0.000 1.115 377 V CB 0.734 32.591 31.823 0.056 0.000 0.934 377 V HN 0.824 nan 8.190 nan 0.000 0.485 378 A N 4.237 127.135 122.820 0.130 0.000 2.860 378 A HA -0.068 4.252 4.320 0.000 0.000 0.267 378 A C 1.786 179.419 177.584 0.082 0.000 1.421 378 A CA 1.248 53.358 52.037 0.122 0.000 0.831 378 A CB -1.844 17.251 19.000 0.158 0.000 1.041 378 A HN 2.725 nan 8.150 nan 0.000 0.623 379 G N -3.375 105.465 108.800 0.067 0.000 2.166 379 G HA2 -0.055 3.905 3.960 0.000 0.000 0.260 379 G HA3 -0.055 3.905 3.960 0.000 0.000 0.260 379 G C 0.355 175.286 174.900 0.051 0.000 0.986 379 G CA 0.632 45.763 45.100 0.051 0.000 0.683 379 G HN 1.859 nan 8.290 nan 0.000 0.527 380 V N 3.149 123.098 119.914 0.058 0.000 2.408 380 V HA 0.343 4.463 4.120 0.000 0.000 0.267 380 V C -1.187 174.931 176.094 0.041 0.000 1.047 380 V CA -1.363 60.971 62.300 0.057 0.000 0.937 380 V CB 1.217 33.081 31.823 0.069 0.000 0.999 380 V HN 0.247 nan 8.190 nan 0.000 0.472 381 P HA 0.119 nan 4.420 nan 0.000 0.262 381 P C 0.935 178.241 177.300 0.010 0.000 1.199 381 P CA 1.182 64.293 63.100 0.018 0.000 0.763 381 P CB 0.862 32.571 31.700 0.016 0.000 0.790 382 G N 2.628 111.427 108.800 -0.001 0.000 2.199 382 G HA2 -0.281 3.679 3.960 0.000 0.000 0.254 382 G HA3 -0.281 3.679 3.960 0.000 0.000 0.254 382 G C -0.039 174.854 174.900 -0.011 0.000 0.982 382 G CA -0.015 45.078 45.100 -0.011 0.000 0.632 382 G HN 0.586 nan 8.290 nan 0.000 0.529 383 L N 3.597 124.822 121.223 0.002 0.000 2.395 383 L HA 0.555 4.895 4.340 0.000 0.000 0.268 383 L C 1.295 178.158 176.870 -0.012 0.000 1.223 383 L CA 0.284 55.124 54.840 0.001 0.000 1.093 383 L CB -0.562 41.515 42.059 0.030 0.000 1.349 383 L HN 0.446 nan 8.230 nan 0.000 0.427 384 T N 2.039 116.576 114.554 -0.029 0.000 2.900 384 T HA 0.254 4.604 4.350 0.000 0.000 0.307 384 T C -1.609 173.058 174.700 -0.056 0.000 1.065 384 T CA -1.261 60.816 62.100 -0.039 0.000 1.105 384 T CB 0.715 69.556 68.868 -0.045 0.000 0.979 384 T HN 0.365 nan 8.240 nan 0.000 0.544 385 P HA -0.128 nan 4.420 nan 0.000 0.216 385 P C 1.494 178.733 177.300 -0.100 0.000 1.150 385 P CA 1.150 64.201 63.100 -0.081 0.000 0.843 385 P CB -0.062 31.599 31.700 -0.065 0.000 0.787 386 N N -0.787 117.864 118.700 -0.083 0.000 2.084 386 N HA -0.177 4.563 4.740 0.000 0.000 0.190 386 N C 1.739 177.195 175.510 -0.091 0.000 1.030 386 N CA 1.411 54.412 53.050 -0.082 0.000 0.849 386 N CB -0.839 37.608 38.487 -0.067 0.000 1.012 386 N HN -0.021 nan 8.380 nan 0.000 0.423 387 M N -0.350 119.202 119.600 -0.080 0.000 2.086 387 M HA -0.098 4.382 4.480 0.000 0.000 0.261 387 M C 1.967 178.214 176.300 -0.087 0.000 1.067 387 M CA 1.811 57.066 55.300 -0.075 0.000 1.116 387 M CB -0.224 32.337 32.600 -0.064 0.000 1.348 387 M HN 0.323 nan 8.290 nan 0.000 0.407 388 A N 0.241 122.992 122.820 -0.116 0.000 1.877 388 A HA -0.086 4.234 4.320 0.000 0.000 0.216 388 A C 2.289 179.691 177.584 -0.303 0.000 1.186 388 A CA 2.019 53.956 52.037 -0.167 0.000 0.620 388 A CB -1.230 17.634 19.000 -0.226 0.000 0.822 388 A HN 0.659 nan 8.150 nan 0.000 0.443 389 A N -0.300 122.293 122.820 -0.378 0.000 1.933 389 A HA 0.183 4.503 4.320 0.000 0.000 0.218 389 A C 2.479 179.848 177.584 -0.358 0.000 1.175 389 A CA 2.031 53.709 52.037 -0.599 0.000 0.628 389 A CB -0.932 17.840 19.000 -0.381 0.000 0.814 389 A HN 1.047 nan 8.150 nan 0.000 0.444 390 A N -0.120 122.595 122.820 -0.174 0.000 1.898 390 A HA 0.196 4.516 4.320 0.000 0.000 0.216 390 A C 2.498 180.087 177.584 0.009 0.000 1.181 390 A CA 1.947 53.943 52.037 -0.069 0.000 0.620 390 A CB -0.985 17.992 19.000 -0.038 0.000 0.819 390 A HN 1.008 nan 8.150 nan 0.000 0.442 391 A N -0.673 122.169 122.820 0.037 0.000 1.883 391 A HA -0.153 4.167 4.320 0.000 0.000 0.217 391 A C 2.156 179.815 177.584 0.124 0.000 1.186 391 A CA 2.083 54.247 52.037 0.212 0.000 0.624 391 A CB -0.495 18.654 19.000 0.249 0.000 0.822 391 A HN 0.416 nan 8.150 nan 0.000 0.444 392 M N 0.060 119.635 119.600 -0.040 0.000 2.229 392 M HA -0.058 4.422 4.480 0.000 0.000 0.264 392 M C 2.292 178.592 176.300 -0.001 0.000 1.063 392 M CA 1.473 56.747 55.300 -0.043 0.000 1.114 392 M CB -1.611 30.861 32.600 -0.212 0.000 1.387 392 M HN 0.415 nan 8.290 nan 0.000 0.420 393 S N 0.999 116.676 115.700 -0.038 0.000 2.355 393 S HA -0.032 4.438 4.470 0.000 0.000 0.222 393 S C 2.055 176.702 174.600 0.077 0.000 1.031 393 S CA 0.980 59.196 58.200 0.026 0.000 0.993 393 S CB -0.329 62.870 63.200 -0.001 0.000 0.859 393 S HN 0.411 nan 8.310 nan 0.000 0.453 394 L N 1.133 122.433 121.223 0.129 0.000 2.012 394 L HA -0.159 4.181 4.340 0.000 0.000 0.210 394 L C 2.255 179.330 176.870 0.341 0.000 1.073 394 L CA 1.239 56.206 54.840 0.212 0.000 0.748 394 L CB -0.667 41.572 42.059 0.299 0.000 0.891 394 L HN 0.311 nan 8.230 nan 0.000 0.431 395 I N -0.186 120.564 120.570 0.300 0.000 2.118 395 I HA -0.352 3.818 4.170 0.000 0.000 0.241 395 I C 2.836 178.986 176.117 0.055 0.000 1.070 395 I CA 1.397 62.749 61.300 0.087 0.000 1.327 395 I CB -0.514 37.372 38.000 -0.191 0.000 1.034 395 I HN 0.249 nan 8.210 nan 0.000 0.405 396 A N 0.977 123.810 122.820 0.022 0.000 1.865 396 A HA -0.198 4.122 4.320 0.000 0.000 0.217 396 A C 2.290 179.864 177.584 -0.016 0.000 1.191 396 A CA 1.566 53.571 52.037 -0.053 0.000 0.623 396 A CB -1.032 17.939 19.000 -0.048 0.000 0.826 396 A HN 0.388 nan 8.150 nan 0.000 0.444 397 L N -1.167 120.074 121.223 0.031 0.000 2.081 397 L HA -0.218 4.122 4.340 0.000 0.000 0.212 397 L C 2.764 179.649 176.870 0.024 0.000 1.080 397 L CA 1.660 56.516 54.840 0.027 0.000 0.754 397 L CB -0.356 41.721 42.059 0.029 0.000 0.893 397 L HN 0.352 nan 8.230 nan 0.000 0.433 398 R N -1.275 119.259 120.500 0.057 0.000 2.276 398 R HA -0.010 4.330 4.340 0.000 0.000 0.196 398 R C 1.807 178.136 176.300 0.048 0.000 0.961 398 R CA 1.344 57.474 56.100 0.050 0.000 1.024 398 R CB 0.081 30.426 30.300 0.076 0.000 0.940 398 R HN 0.492 nan 8.270 nan 0.000 0.480 399 T N -3.250 111.322 114.554 0.029 0.000 2.966 399 T HA 0.174 4.524 4.350 0.000 0.000 0.254 399 T C 0.478 175.163 174.700 -0.026 0.000 0.961 399 T CA -0.386 61.715 62.100 0.002 0.000 0.915 399 T CB 0.582 69.442 68.868 -0.013 0.000 1.186 399 T HN -0.181 nan 8.240 nan 0.000 0.505 400 E N 2.120 122.290 120.200 -0.050 0.000 2.250 400 E HA 0.352 4.702 4.350 0.000 0.000 0.269 400 E C -1.808 174.787 176.600 -0.008 0.000 1.018 400 E CA -2.452 53.914 56.400 -0.058 0.000 0.873 400 E CB 1.452 31.053 29.700 -0.165 0.000 1.134 400 E HN 0.003 nan 8.360 nan 0.000 0.403 401 P HA -0.105 nan 4.420 nan 0.000 0.216 401 P C -0.035 177.282 177.300 0.028 0.000 1.153 401 P CA 1.499 64.614 63.100 0.023 0.000 0.858 401 P CB 0.394 32.114 31.700 0.034 0.000 0.789 402 D N -2.395 118.030 120.400 0.042 0.000 2.655 402 D HA 0.638 5.278 4.640 0.000 0.000 0.229 402 D C -1.637 174.701 176.300 0.063 0.000 1.229 402 D CA -0.623 53.405 54.000 0.046 0.000 0.807 402 D CB 1.972 42.800 40.800 0.047 0.000 1.514 402 D HN -0.038 nan 8.370 nan 0.000 0.444 403 A N 1.400 124.254 122.820 0.057 0.000 2.566 403 A HA 0.650 4.970 4.320 0.000 0.000 0.297 403 A C -2.161 175.461 177.584 0.064 0.000 1.059 403 A CA -0.585 51.496 52.037 0.075 0.000 0.691 403 A CB 1.297 20.325 19.000 0.047 0.000 1.282 403 A HN 0.438 nan 8.150 nan 0.000 0.401 404 L N 1.629 122.896 121.223 0.073 0.000 2.431 404 L HA 0.875 5.215 4.340 0.000 0.000 0.266 404 L C -0.050 176.839 176.870 0.031 0.000 0.978 404 L CA 0.245 55.118 54.840 0.056 0.000 0.822 404 L CB 2.398 44.513 42.059 0.094 0.000 1.310 404 L HN 0.993 nan 8.230 nan 0.000 0.409 405 T N 3.018 117.563 114.554 -0.015 0.000 2.771 405 T HA 0.725 5.075 4.350 0.000 0.000 0.281 405 T C -0.169 174.421 174.700 -0.184 0.000 0.982 405 T CA -0.790 61.278 62.100 -0.055 0.000 0.978 405 T CB 0.857 69.705 68.868 -0.033 0.000 0.930 405 T HN 0.518 nan 8.240 nan 0.000 0.447 406 M N 2.388 121.807 119.600 -0.302 0.000 2.777 406 M HA 0.747 5.227 4.480 0.000 0.000 0.307 406 M C 0.382 176.317 176.300 -0.607 0.000 1.228 406 M CA -0.646 54.261 55.300 -0.656 0.000 0.871 406 M CB 1.994 33.898 32.600 -1.161 0.000 1.721 406 M HN 1.004 nan 8.290 nan 0.000 0.487 407 G N 0.263 108.598 108.800 -0.775 0.000 2.612 407 G HA2 0.691 4.651 3.960 0.000 0.000 0.298 407 G HA3 0.691 4.651 3.960 0.000 0.000 0.298 407 G C -1.593 173.027 174.900 -0.466 0.000 1.336 407 G CA -0.519 44.314 45.100 -0.446 0.000 0.953 407 G HN 0.481 nan 8.290 nan 0.000 0.482 408 F N 2.083 122.024 119.950 -0.016 0.000 2.669 408 F HA 0.490 5.017 4.527 -0.000 0.000 0.353 408 F C 1.272 177.124 175.800 0.086 0.000 1.192 408 F CA -0.007 58.073 58.000 0.133 0.000 1.317 408 F CB 0.228 39.328 39.000 0.167 0.000 1.652 408 F HN 0.592 nan 8.300 nan 0.000 0.608 409 A N 0.661 123.554 122.820 0.122 0.000 3.033 409 A HA 0.368 4.688 4.320 0.000 0.000 0.223 409 A C 1.615 179.243 177.584 0.073 0.000 1.797 409 A CA -0.260 51.835 52.037 0.095 0.000 0.856 409 A CB 0.054 19.058 19.000 0.006 0.000 1.798 409 A HN 0.435 nan 8.150 nan 0.000 0.629 410 E N 0.306 120.520 120.200 0.024 0.000 2.113 410 E HA -0.224 4.126 4.350 0.000 0.000 0.210 410 E C 0.714 177.325 176.600 0.020 0.000 1.040 410 E CA 2.151 58.549 56.400 -0.003 0.000 0.847 410 E CB -0.342 29.352 29.700 -0.010 0.000 0.755 410 E HN 0.661 nan 8.360 nan 0.000 0.459 411 Q N -1.071 118.748 119.800 0.031 0.000 2.587 411 Q HA 0.368 4.708 4.340 0.000 0.000 0.293 411 Q C -0.854 175.181 176.000 0.059 0.000 1.083 411 Q CA -1.002 54.844 55.803 0.073 0.000 0.792 411 Q CB 0.651 29.435 28.738 0.076 0.000 1.484 411 Q HN 0.098 nan 8.270 nan 0.000 0.446 412 F N 2.385 122.289 119.950 -0.076 0.000 2.494 412 F HA 0.228 4.755 4.527 0.000 0.000 0.369 412 F C -0.066 175.536 175.800 -0.329 0.000 1.098 412 F CA 0.316 58.172 58.000 -0.241 0.000 1.154 412 F CB 0.228 39.061 39.000 -0.279 0.000 1.103 412 F HN 0.554 nan 8.300 nan 0.000 0.549 413 R N 5.368 125.414 120.500 -0.756 0.000 2.781 413 R HA 0.667 5.007 4.340 0.000 0.000 0.269 413 R C -3.307 172.628 176.300 -0.609 0.000 1.025 413 R CA -2.345 53.439 56.100 -0.527 0.000 0.914 413 R CB 0.926 31.087 30.300 -0.233 0.000 1.236 413 R HN 0.185 nan 8.270 nan 0.000 0.465 414 P HA 0.076 nan 4.420 nan 0.000 0.271 414 P C -0.151 177.019 177.300 -0.217 0.000 1.218 414 P CA -0.455 62.471 63.100 -0.289 0.000 0.780 414 P CB 0.511 32.131 31.700 -0.134 0.000 0.901 415 L N 1.903 123.015 121.223 -0.186 0.000 2.477 415 L HA 0.256 4.596 4.340 0.000 0.000 0.220 415 L C 1.763 178.586 176.870 -0.080 0.000 1.106 415 L CA 1.200 55.964 54.840 -0.128 0.000 0.851 415 L CB -1.610 40.379 42.059 -0.116 0.000 0.994 415 L HN 0.754 nan 8.230 nan 0.000 0.462 416 G N 0.381 109.140 108.800 -0.069 0.000 2.160 416 G HA2 -0.301 3.659 3.960 0.000 0.000 0.251 416 G HA3 -0.301 3.659 3.960 0.000 0.000 0.251 416 G C 0.436 175.317 174.900 -0.031 0.000 1.008 416 G CA 0.301 45.376 45.100 -0.041 0.000 0.724 416 G HN 0.319 nan 8.290 nan 0.000 0.514 417 I N 1.595 122.145 120.570 -0.033 0.000 2.529 417 I HA 0.471 4.641 4.170 0.000 0.000 0.284 417 I C 1.167 177.277 176.117 -0.012 0.000 1.082 417 I CA 0.729 62.017 61.300 -0.020 0.000 1.406 417 I CB 1.114 39.104 38.000 -0.017 0.000 1.405 417 I HN 0.356 nan 8.210 nan 0.000 0.548 418 T N 2.399 116.947 114.554 -0.011 0.000 2.888 418 T HA 0.456 4.806 4.350 0.000 0.000 0.288 418 T C -2.325 172.365 174.700 -0.017 0.000 1.063 418 T CA -1.933 60.161 62.100 -0.011 0.000 1.010 418 T CB 1.913 70.773 68.868 -0.013 0.000 1.214 418 T HN 0.214 nan 8.240 nan 0.000 0.533 419 P HA 0.120 nan 4.420 nan 0.000 0.228 419 P C 1.087 178.346 177.300 -0.068 0.000 1.151 419 P CA 0.585 63.656 63.100 -0.048 0.000 0.770 419 P CB 0.044 31.718 31.700 -0.044 0.000 0.786 420 R N -1.021 119.450 120.500 -0.047 0.000 2.275 420 R HA 0.065 4.405 4.340 0.000 0.000 0.199 420 R C 0.626 176.901 176.300 -0.041 0.000 0.989 420 R CA 0.144 56.216 56.100 -0.047 0.000 1.016 420 R CB -0.185 30.095 30.300 -0.033 0.000 0.918 420 R HN 0.271 nan 8.270 nan 0.000 0.473 421 D N 0.982 121.362 120.400 -0.033 0.000 2.368 421 D HA -0.007 4.633 4.640 0.000 0.000 0.240 421 D C 0.393 176.682 176.300 -0.018 0.000 1.169 421 D CA 0.673 54.660 54.000 -0.021 0.000 0.906 421 D CB 1.231 42.025 40.800 -0.010 0.000 1.187 421 D HN 0.102 nan 8.370 nan 0.000 0.435 422 T N -1.073 113.478 114.554 -0.005 0.000 2.862 422 T HA 0.153 4.503 4.350 0.000 0.000 0.276 422 T C 1.336 176.056 174.700 0.034 0.000 0.974 422 T CA -0.889 61.220 62.100 0.014 0.000 0.966 422 T CB 0.996 69.866 68.868 0.002 0.000 1.072 422 T HN 0.160 nan 8.240 nan 0.000 0.538 423 L N 0.986 122.241 121.223 0.053 0.000 2.012 423 L HA -0.060 4.280 4.340 0.000 0.000 0.210 423 L C 2.360 179.219 176.870 -0.019 0.000 1.073 423 L CA 2.009 56.863 54.840 0.024 0.000 0.748 423 L CB -1.316 40.679 42.059 -0.107 0.000 0.891 423 L HN 0.816 nan 8.230 nan 0.000 0.431 424 E N -0.351 119.830 120.200 -0.033 0.000 2.077 424 E HA -0.179 4.171 4.350 0.000 0.000 0.193 424 E C 2.280 178.865 176.600 -0.024 0.000 0.989 424 E CA 1.585 57.965 56.400 -0.034 0.000 0.800 424 E CB -0.724 28.956 29.700 -0.035 0.000 0.746 424 E HN 0.715 nan 8.360 nan 0.000 0.452 425 S N 0.620 116.310 115.700 -0.017 0.000 2.406 425 S HA 0.049 4.519 4.470 0.000 0.000 0.228 425 S C 2.223 176.814 174.600 -0.016 0.000 1.020 425 S CA 0.626 58.817 58.200 -0.016 0.000 0.965 425 S CB -0.323 62.868 63.200 -0.014 0.000 0.798 425 S HN 0.299 nan 8.310 nan 0.000 0.488 426 A N 2.190 125.004 122.820 -0.009 0.000 1.902 426 A HA 0.086 4.406 4.320 0.000 0.000 0.217 426 A C 2.351 179.922 177.584 -0.022 0.000 1.181 426 A CA 1.605 53.636 52.037 -0.010 0.000 0.623 426 A CB -0.819 18.186 19.000 0.009 0.000 0.818 426 A HN 0.553 nan 8.150 nan 0.000 0.443 427 M N -0.924 118.661 119.600 -0.025 0.000 2.108 427 M HA -0.277 4.203 4.480 0.000 0.000 0.261 427 M C 2.452 178.732 176.300 -0.033 0.000 1.066 427 M CA 2.007 57.286 55.300 -0.035 0.000 1.107 427 M CB -0.435 32.141 32.600 -0.041 0.000 1.356 427 M HN 0.509 nan 8.290 nan 0.000 0.406 428 Q N -0.057 119.726 119.800 -0.028 0.000 2.119 428 Q HA -0.144 4.196 4.340 0.000 0.000 0.201 428 Q C 1.870 177.855 176.000 -0.025 0.000 0.972 428 Q CA 1.213 57.000 55.803 -0.025 0.000 0.847 428 Q CB -0.096 28.629 28.738 -0.022 0.000 0.903 428 Q HN 0.466 nan 8.270 nan 0.000 0.433 429 K N 0.218 120.602 120.400 -0.027 0.000 2.280 429 K HA -0.048 4.272 4.320 0.000 0.000 0.202 429 K C 1.161 177.739 176.600 -0.037 0.000 1.047 429 K CA 0.937 57.205 56.287 -0.032 0.000 0.942 429 K CB 0.111 32.591 32.500 -0.034 0.000 0.739 429 K HN 0.067 nan 8.250 nan 0.000 0.457 430 A N 0.899 123.698 122.820 -0.035 0.000 2.532 430 A HA 0.099 4.419 4.320 0.000 0.000 0.273 430 A C -0.297 177.270 177.584 -0.029 0.000 1.342 430 A CA -0.098 51.918 52.037 -0.035 0.000 0.929 430 A CB 0.261 19.238 19.000 -0.039 0.000 1.051 430 A HN 0.012 nan 8.150 nan 0.000 0.521 431 Q N -0.041 119.745 119.800 -0.023 0.000 2.285 431 Q HA 0.509 4.849 4.340 0.000 0.000 0.269 431 Q C -1.400 174.602 176.000 0.004 0.000 1.030 431 Q CA -0.075 55.718 55.803 -0.016 0.000 0.788 431 Q CB 2.022 30.747 28.738 -0.022 0.000 1.266 431 Q HN 0.246 nan 8.270 nan 0.000 0.438 432 S N 1.828 117.548 115.700 0.033 0.000 2.677 432 S HA 0.304 4.774 4.470 0.000 0.000 0.283 432 S C 0.861 175.537 174.600 0.127 0.000 1.159 432 S CA -0.476 57.761 58.200 0.062 0.000 1.001 432 S CB 1.162 64.400 63.200 0.064 0.000 1.032 432 S HN 0.323 nan 8.310 nan 0.000 0.487 433 V N 3.807 123.777 119.914 0.093 0.000 2.380 433 V HA -0.069 4.051 4.120 0.000 0.000 0.251 433 V C 1.415 177.593 176.094 0.139 0.000 1.063 433 V CA 1.975 64.344 62.300 0.115 0.000 1.055 433 V CB -0.892 30.961 31.823 0.049 0.000 0.657 433 V HN 0.936 nan 8.190 nan 0.000 0.455 434 S N 1.434 117.173 115.700 0.065 0.000 2.442 434 S HA 0.712 5.182 4.470 0.000 0.000 0.297 434 S C -0.782 173.831 174.600 0.022 0.000 1.131 434 S CA -0.722 57.439 58.200 -0.064 0.000 1.092 434 S CB 1.336 64.482 63.200 -0.089 0.000 0.998 434 S HN 0.387 nan 8.310 nan 0.000 0.478 435 F N -0.011 119.917 119.950 -0.037 0.000 2.664 435 F HA 0.987 5.514 4.527 -0.000 0.000 0.317 435 F C 0.078 175.844 175.800 -0.056 0.000 1.108 435 F CA -0.993 56.990 58.000 -0.028 0.000 0.957 435 F CB 0.850 39.831 39.000 -0.030 0.000 1.365 435 F HN 0.817 nan 8.300 nan 0.000 0.475 436 G N -0.781 108.141 108.800 0.204 0.000 2.788 436 G HA2 0.546 4.506 3.960 0.000 0.000 0.293 436 G HA3 0.546 4.506 3.960 0.000 0.000 0.293 436 G C -0.600 174.292 174.900 -0.014 0.000 1.305 436 G CA -0.746 44.362 45.100 0.014 0.000 1.005 436 G HN 1.032 nan 8.290 nan 0.000 0.496 437 G N -0.896 107.651 108.800 -0.421 0.000 2.491 437 G HA2 0.393 4.353 3.960 0.000 0.000 0.238 437 G HA3 0.393 4.353 3.960 0.000 0.000 0.238 437 G C 0.195 174.952 174.900 -0.239 0.000 1.277 437 G CA -0.021 44.666 45.100 -0.689 0.000 0.851 437 G HN 0.470 nan 8.290 nan 0.000 0.573 438 T N 2.010 116.404 114.554 -0.267 0.000 3.455 438 T HA 0.119 4.469 4.350 0.000 0.000 0.286 438 T C -0.029 174.436 174.700 -0.392 0.000 1.157 438 T CA 0.092 61.769 62.100 -0.705 0.000 1.090 438 T CB -0.026 68.495 68.868 -0.579 0.000 1.112 438 T HN 0.514 nan 8.240 nan 0.000 0.779 439 D N 1.507 121.788 120.400 -0.198 0.000 2.396 439 D HA 0.148 4.788 4.640 0.000 0.000 0.225 439 D C 0.789 177.152 176.300 0.105 0.000 1.121 439 D CA -0.988 53.084 54.000 0.119 0.000 0.853 439 D CB 0.553 41.550 40.800 0.327 0.000 1.043 439 D HN 0.378 nan 8.370 nan 0.000 0.500 440 C N 3.322 122.616 119.300 -0.009 0.000 2.472 440 C HA 0.109 4.569 4.460 0.000 0.000 0.278 440 C C 2.319 177.285 174.990 -0.040 0.000 1.447 440 C CA 0.593 59.622 59.018 0.019 0.000 1.773 440 C CB -1.343 26.362 27.740 -0.058 0.000 1.793 440 C HN 0.746 nan 8.230 nan 0.000 0.544 441 A N 0.083 122.856 122.820 -0.078 0.000 2.021 441 A HA -0.151 4.169 4.320 0.000 0.000 0.216 441 A C 2.197 179.708 177.584 -0.122 0.000 1.163 441 A CA 1.078 53.038 52.037 -0.127 0.000 0.676 441 A CB -0.540 18.388 19.000 -0.120 0.000 0.818 441 A HN 0.655 nan 8.150 nan 0.000 0.453 442 Q N 0.010 119.764 119.800 -0.076 0.000 2.124 442 Q HA -0.110 4.230 4.340 0.000 0.000 0.202 442 Q C -0.887 174.839 176.000 -0.456 0.000 0.977 442 Q CA 1.757 57.437 55.803 -0.205 0.000 0.850 442 Q CB -0.651 27.997 28.738 -0.151 0.000 0.901 442 Q HN 0.452 nan 8.270 nan 0.000 0.429 443 P HA -0.129 nan 4.420 nan 0.000 0.217 443 P C 0.778 178.103 177.300 0.042 0.000 1.150 443 P CA 1.224 64.201 63.100 -0.205 0.000 0.832 443 P CB -0.022 31.781 31.700 0.172 0.000 0.787 444 I N -1.657 118.713 120.570 -0.332 0.000 2.286 444 I HA -0.167 4.003 4.170 0.000 0.000 0.245 444 I C 2.269 178.351 176.117 -0.057 0.000 1.104 444 I CA 1.050 62.014 61.300 -0.561 0.000 1.397 444 I CB -0.697 36.841 38.000 -0.771 0.000 1.072 444 I HN -0.144 nan 8.210 nan 0.000 0.417 445 L N -0.523 120.676 121.223 -0.040 0.000 2.017 445 L HA -0.227 4.113 4.340 0.000 0.000 0.208 445 L C 2.529 179.473 176.870 0.124 0.000 1.073 445 L CA 1.677 56.541 54.840 0.039 0.000 0.745 445 L CB -0.721 41.342 42.059 0.008 0.000 0.894 445 L HN 0.422 nan 8.230 nan 0.000 0.432 446 W N 0.965 122.237 121.300 -0.048 0.000 2.355 446 W HA -0.239 4.421 4.660 -0.000 0.000 0.309 446 W C 2.552 179.166 176.519 0.157 0.000 1.206 446 W CA 1.924 59.294 57.345 0.042 0.000 1.284 446 W CB -0.162 29.316 29.460 0.029 0.000 1.145 446 W HN 0.105 nan 8.180 nan 0.000 0.502 447 A N 0.600 123.656 122.820 0.393 0.000 1.933 447 A HA -0.062 4.258 4.320 0.000 0.000 0.218 447 A C 2.075 179.742 177.584 0.138 0.000 1.175 447 A CA 2.504 54.707 52.037 0.276 0.000 0.628 447 A CB -1.500 17.933 19.000 0.722 0.000 0.814 447 A HN 0.431 nan 8.150 nan 0.000 0.444 448 A N -0.828 122.117 122.820 0.208 0.000 1.898 448 A HA -0.200 4.120 4.320 0.000 0.000 0.216 448 A C 2.186 179.711 177.584 -0.099 0.000 1.181 448 A CA 1.773 53.813 52.037 0.005 0.000 0.620 448 A CB -0.626 18.398 19.000 0.040 0.000 0.819 448 A HN 0.646 nan 8.150 nan 0.000 0.442 449 Q N -0.590 119.148 119.800 -0.102 0.000 2.112 449 Q HA -0.209 4.131 4.340 0.000 0.000 0.206 449 Q C 1.081 176.943 176.000 -0.231 0.000 0.987 449 Q CA 1.755 57.470 55.803 -0.146 0.000 0.858 449 Q CB -0.054 28.608 28.738 -0.126 0.000 0.905 449 Q HN 0.565 nan 8.270 nan 0.000 0.420 450 E N 0.222 120.189 120.200 -0.389 0.000 2.489 450 E HA 0.010 4.360 4.350 0.000 0.000 0.193 450 E C -0.226 176.227 176.600 -0.245 0.000 1.057 450 E CA 0.064 56.212 56.400 -0.419 0.000 0.866 450 E CB 0.118 29.321 29.700 -0.828 0.000 0.916 450 E HN 0.332 nan 8.360 nan 0.000 0.500 451 R N 0.358 120.749 120.500 -0.181 0.000 3.387 451 R HA -0.209 4.131 4.340 0.000 0.000 0.254 451 R C -0.074 176.178 176.300 -0.079 0.000 1.006 451 R CA 0.138 56.159 56.100 -0.131 0.000 0.677 451 R CB -2.148 28.084 30.300 -0.113 0.000 1.063 451 R HN 0.043 nan 8.270 nan 0.000 0.453 452 L N 1.373 122.571 121.223 -0.042 0.000 2.290 452 L HA 0.195 4.535 4.340 0.000 0.000 0.284 452 L C 0.179 177.146 176.870 0.162 0.000 1.078 452 L CA 0.107 54.972 54.840 0.042 0.000 0.815 452 L CB 0.918 43.008 42.059 0.051 0.000 1.162 452 L HN 0.014 nan 8.230 nan 0.000 0.435 453 D N 4.746 125.217 120.400 0.118 0.000 2.339 453 D HA 0.243 4.883 4.640 0.000 0.000 0.256 453 D C -0.818 175.547 176.300 0.108 0.000 1.214 453 D CA 0.263 54.359 54.000 0.160 0.000 0.877 453 D CB 1.330 42.180 40.800 0.084 0.000 1.111 453 D HN 0.260 nan 8.370 nan 0.000 0.478 454 V N 3.419 123.393 119.914 0.100 0.000 2.638 454 V HA 0.095 4.215 4.120 0.000 0.000 0.306 454 V C 0.562 176.504 176.094 -0.255 0.000 1.052 454 V CA -0.722 61.441 62.300 -0.228 0.000 0.885 454 V CB 2.388 33.793 31.823 -0.697 0.000 0.999 454 V HN 0.400 nan 8.190 nan 0.000 0.424 455 D N 1.763 122.023 120.400 -0.232 0.000 2.201 455 D HA 0.067 4.707 4.640 0.000 0.000 0.209 455 D C 0.527 176.669 176.300 -0.263 0.000 0.961 455 D CA 1.131 55.021 54.000 -0.182 0.000 0.861 455 D CB 0.575 41.304 40.800 -0.120 0.000 0.997 455 D HN 0.576 nan 8.370 nan 0.000 0.486 456 T N 0.890 115.191 114.554 -0.422 0.000 2.890 456 T HA 0.389 4.739 4.350 0.000 0.000 0.295 456 T C -0.529 173.920 174.700 -0.418 0.000 0.993 456 T CA -0.558 61.295 62.100 -0.412 0.000 0.979 456 T CB 0.999 69.414 68.868 -0.755 0.000 0.967 456 T HN -0.220 nan 8.240 nan 0.000 0.441 457 F N 2.109 121.991 119.950 -0.113 0.000 2.408 457 F HA 0.614 5.141 4.527 -0.000 0.000 0.344 457 F C 0.169 175.969 175.800 0.001 0.000 1.112 457 F CA -0.783 57.199 58.000 -0.031 0.000 1.096 457 F CB 1.359 40.344 39.000 -0.024 0.000 1.129 457 F HN 0.187 nan 8.300 nan 0.000 0.486 458 V N 4.397 124.425 119.914 0.191 0.000 2.525 458 V HA 0.426 4.546 4.120 0.000 0.000 0.299 458 V C -0.653 175.474 176.094 0.055 0.000 1.034 458 V CA -0.848 61.497 62.300 0.074 0.000 0.863 458 V CB 1.799 33.658 31.823 0.061 0.000 0.999 458 V HN 0.462 nan 8.190 nan 0.000 0.423 459 V N 5.167 125.063 119.914 -0.030 0.000 2.435 459 V HA 0.489 4.609 4.120 0.000 0.000 0.290 459 V C -1.052 174.949 176.094 -0.154 0.000 1.030 459 V CA -0.622 61.713 62.300 0.059 0.000 0.881 459 V CB 1.584 33.479 31.823 0.120 0.000 0.983 459 V HN 0.742 nan 8.190 nan 0.000 0.445 460 Y N 2.700 123.068 120.300 0.114 0.000 2.335 460 Y HA 0.653 5.203 4.550 0.000 0.000 0.338 460 Y C 0.499 176.388 175.900 -0.018 0.000 0.977 460 Y CA -0.117 57.995 58.100 0.019 0.000 1.114 460 Y CB 2.182 40.641 38.460 -0.002 0.000 1.182 460 Y HN 0.661 nan 8.280 nan 0.000 0.463 461 T N 0.817 115.398 114.554 0.044 0.000 2.778 461 T HA 0.277 4.627 4.350 0.000 0.000 0.293 461 T C 0.053 174.711 174.700 -0.070 0.000 1.144 461 T CA -0.567 61.498 62.100 -0.059 0.000 1.010 461 T CB 1.007 69.770 68.868 -0.175 0.000 1.325 461 T HN 0.627 nan 8.240 nan 0.000 0.515 462 D N 1.340 121.682 120.400 -0.097 0.000 2.454 462 D HA 0.111 4.751 4.640 0.000 0.000 0.247 462 D C 0.804 177.056 176.300 -0.081 0.000 1.143 462 D CA 0.860 54.816 54.000 -0.074 0.000 0.972 462 D CB -0.270 40.486 40.800 -0.072 0.000 1.070 462 D HN 0.571 nan 8.370 nan 0.000 0.433 463 N N -0.688 117.955 118.700 -0.096 0.000 2.547 463 N HA 0.076 4.816 4.740 0.000 0.000 0.285 463 N C -1.078 174.364 175.510 -0.114 0.000 1.600 463 N CA -0.306 52.686 53.050 -0.096 0.000 0.872 463 N CB -0.002 38.473 38.487 -0.019 0.000 1.412 463 N HN 0.269 nan 8.380 nan 0.000 0.489 464 E N 0.814 120.922 120.200 -0.154 0.000 4.052 464 E HA 0.085 4.435 4.350 0.000 0.000 0.219 464 E C -0.529 175.994 176.600 -0.129 0.000 1.166 464 E CA -0.339 55.994 56.400 -0.113 0.000 1.338 464 E CB 0.692 30.333 29.700 -0.098 0.000 1.212 464 E HN 0.403 nan 8.360 nan 0.000 0.432 465 T N -1.240 113.204 114.554 -0.183 0.000 2.940 465 T HA 0.158 4.508 4.350 0.000 0.000 0.309 465 T C -0.351 174.366 174.700 0.029 0.000 1.056 465 T CA -0.354 61.658 62.100 -0.147 0.000 1.137 465 T CB 1.016 69.753 68.868 -0.219 0.000 0.976 465 T HN 0.343 nan 8.240 nan 0.000 0.547 466 W N 2.449 123.650 121.300 -0.165 0.000 2.781 466 W HA 0.622 5.282 4.660 0.000 0.000 0.333 466 W C -0.807 175.663 176.519 -0.082 0.000 1.047 466 W CA -1.190 56.095 57.345 -0.100 0.000 1.236 466 W CB 1.246 30.648 29.460 -0.096 0.000 1.394 466 W HN 1.025 nan 8.180 nan 0.000 0.466 467 A N 4.446 126.906 122.820 -0.600 0.000 2.409 467 A HA 0.608 4.928 4.320 0.000 0.000 0.267 467 A C 0.457 177.436 177.584 -1.009 0.000 1.127 467 A CA 0.332 52.023 52.037 -0.576 0.000 0.795 467 A CB -0.093 18.698 19.000 -0.348 0.000 1.061 467 A HN 0.966 nan 8.150 nan 0.000 0.502 468 G N 0.076 108.504 108.800 -0.620 0.000 2.532 468 G HA2 0.377 4.337 3.960 0.000 0.000 0.291 468 G HA3 0.377 4.337 3.960 0.000 0.000 0.291 468 G C 0.503 175.237 174.900 -0.278 0.000 1.349 468 G CA -0.262 44.535 45.100 -0.504 0.000 1.038 468 G HN 0.641 nan 8.290 nan 0.000 0.518 469 Q N -1.534 118.181 119.800 -0.140 0.000 2.311 469 Q HA 0.042 4.382 4.340 0.000 0.000 0.203 469 Q C 0.569 176.543 176.000 -0.044 0.000 0.954 469 Q CA 0.543 56.299 55.803 -0.077 0.000 0.885 469 Q CB 0.318 29.039 28.738 -0.028 0.000 0.963 469 Q HN 0.163 nan 8.270 nan 0.000 0.471 470 V N 1.328 121.220 119.914 -0.037 0.000 2.459 470 V HA 0.165 4.285 4.120 0.000 0.000 0.295 470 V C 0.069 176.159 176.094 -0.006 0.000 1.029 470 V CA -0.867 61.429 62.300 -0.008 0.000 0.874 470 V CB 1.819 33.639 31.823 -0.006 0.000 0.985 470 V HN 0.248 nan 8.190 nan 0.000 0.438 471 H N 6.553 125.589 119.070 -0.056 0.000 2.629 471 H HA 0.195 4.751 4.556 0.000 0.000 0.357 471 H C -1.866 173.433 175.328 -0.048 0.000 1.121 471 H CA -1.542 54.473 56.048 -0.055 0.000 1.406 471 H CB 2.297 32.031 29.762 -0.046 0.000 1.456 471 H HN 0.345 nan 8.280 nan 0.000 0.579 472 P HA -0.161 nan 4.420 nan 0.000 0.218 472 P C 1.443 178.712 177.300 -0.051 0.000 1.146 472 P CA 2.160 65.103 63.100 -0.262 0.000 0.813 472 P CB 0.071 31.565 31.700 -0.344 0.000 0.778 473 T N -3.429 111.248 114.554 0.206 0.000 2.708 473 T HA -0.120 4.230 4.350 0.000 0.000 0.266 473 T C 1.846 176.604 174.700 0.097 0.000 1.037 473 T CA 1.278 63.490 62.100 0.187 0.000 1.146 473 T CB -1.491 67.511 68.868 0.223 0.000 0.865 473 T HN -0.107 nan 8.240 nan 0.000 0.435 474 V N 2.406 122.382 119.914 0.103 0.000 2.343 474 V HA -0.090 4.030 4.120 0.000 0.000 0.247 474 V C 3.278 179.390 176.094 0.030 0.000 1.051 474 V CA 1.610 63.942 62.300 0.053 0.000 1.036 474 V CB -1.518 30.335 31.823 0.050 0.000 0.654 474 V HN 0.700 nan 8.190 nan 0.000 0.451 475 A N -0.143 122.680 122.820 0.005 0.000 1.892 475 A HA -0.228 4.092 4.320 0.000 0.000 0.218 475 A C 2.221 179.800 177.584 -0.010 0.000 1.188 475 A CA 2.163 54.185 52.037 -0.026 0.000 0.631 475 A CB -0.640 18.303 19.000 -0.095 0.000 0.822 475 A HN 0.505 nan 8.150 nan 0.000 0.447 476 L N -0.607 120.600 121.223 -0.027 0.000 2.083 476 L HA -0.193 4.147 4.340 0.000 0.000 0.209 476 L C 2.182 179.099 176.870 0.079 0.000 1.083 476 L CA 1.385 56.225 54.840 -0.000 0.000 0.752 476 L CB -0.672 41.380 42.059 -0.012 0.000 0.899 476 L HN 0.334 nan 8.230 nan 0.000 0.433 477 D N -0.147 120.289 120.400 0.060 0.000 2.104 477 D HA -0.217 4.423 4.640 0.000 0.000 0.194 477 D C 2.264 178.605 176.300 0.069 0.000 0.994 477 D CA 1.234 55.270 54.000 0.061 0.000 0.830 477 D CB -0.245 40.579 40.800 0.041 0.000 0.959 477 D HN 0.394 nan 8.370 nan 0.000 0.452 478 Q N -0.734 119.103 119.800 0.061 0.000 2.135 478 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 478 Q C 2.074 178.115 176.000 0.068 0.000 0.981 478 Q CA 1.088 56.920 55.803 0.049 0.000 0.856 478 Q CB -0.218 28.541 28.738 0.034 0.000 0.902 478 Q HN 0.436 nan 8.270 nan 0.000 0.425 479 Y N 0.702 121.001 120.300 -0.001 0.000 2.145 479 Y HA -0.251 4.299 4.550 -0.000 0.000 0.286 479 Y C 2.291 178.210 175.900 0.032 0.000 1.145 479 Y CA 1.436 59.550 58.100 0.023 0.000 1.148 479 Y CB -0.294 38.194 38.460 0.047 0.000 0.981 479 Y HN 0.097 nan 8.280 nan 0.000 0.507 480 A N 0.118 123.095 122.820 0.261 0.000 1.908 480 A HA -0.300 4.020 4.320 0.000 0.000 0.218 480 A C 2.074 179.680 177.584 0.037 0.000 1.181 480 A CA 2.132 54.265 52.037 0.160 0.000 0.627 480 A CB -0.871 18.208 19.000 0.132 0.000 0.818 480 A HN 0.669 nan 8.150 nan 0.000 0.445 481 Q N -1.009 118.804 119.800 0.021 0.000 2.170 481 Q HA -0.167 4.173 4.340 0.000 0.000 0.203 481 Q C 2.142 178.114 176.000 -0.047 0.000 0.976 481 Q CA 1.901 57.698 55.803 -0.009 0.000 0.858 481 Q CB -0.092 28.645 28.738 -0.002 0.000 0.907 481 Q HN 0.763 nan 8.270 nan 0.000 0.433 482 K N -0.838 119.506 120.400 -0.094 0.000 2.284 482 K HA 0.024 4.344 4.320 0.000 0.000 0.198 482 K C 1.396 177.886 176.600 -0.183 0.000 1.048 482 K CA 0.586 56.793 56.287 -0.133 0.000 0.987 482 K CB 0.434 32.842 32.500 -0.153 0.000 0.800 482 K HN 0.090 nan 8.250 nan 0.000 0.486 483 M N -0.662 118.782 119.600 -0.260 0.000 2.331 483 M HA 0.246 4.726 4.480 0.000 0.000 0.266 483 M C 0.951 177.184 176.300 -0.112 0.000 1.055 483 M CA 0.877 56.012 55.300 -0.274 0.000 1.048 483 M CB 0.882 33.108 32.600 -0.622 0.000 1.460 483 M HN 0.395 nan 8.290 nan 0.000 0.519 484 G N 1.989 110.755 108.800 -0.057 0.000 2.148 484 G HA2 -0.254 3.706 3.960 0.000 0.000 0.254 484 G HA3 -0.254 3.706 3.960 0.000 0.000 0.254 484 G C 0.003 174.925 174.900 0.037 0.000 0.981 484 G CA 0.324 45.420 45.100 -0.006 0.000 0.670 484 G HN 0.370 nan 8.290 nan 0.000 0.528 485 R N -0.346 120.208 120.500 0.091 0.000 2.744 485 R HA 0.783 5.123 4.340 0.000 0.000 0.279 485 R C -0.135 176.291 176.300 0.210 0.000 0.977 485 R CA 0.152 56.336 56.100 0.140 0.000 0.906 485 R CB 1.751 32.155 30.300 0.174 0.000 1.197 485 R HN 0.784 nan 8.270 nan 0.000 0.463 486 A N 4.344 127.245 122.820 0.135 0.000 2.280 486 A HA 0.602 4.922 4.320 0.000 0.000 0.320 486 A C -2.151 175.479 177.584 0.077 0.000 1.366 486 A CA -1.287 50.823 52.037 0.121 0.000 0.938 486 A CB -0.086 18.955 19.000 0.069 0.000 1.157 486 A HN 0.483 nan 8.150 nan 0.000 0.536 487 P HA 0.538 nan 4.420 nan 0.000 0.297 487 P C -0.621 176.702 177.300 0.038 0.000 1.307 487 P CA -0.498 62.611 63.100 0.015 0.000 0.773 487 P CB 0.810 32.505 31.700 -0.009 0.000 1.265 488 K N -0.872 119.558 120.400 0.051 0.000 2.281 488 K HA 0.666 4.987 4.320 0.000 0.000 0.242 488 K C -1.082 175.656 176.600 0.230 0.000 0.971 488 K CA -0.907 55.441 56.287 0.102 0.000 0.834 488 K CB 1.412 33.888 32.500 -0.040 0.000 1.181 488 K HN 0.237 nan 8.250 nan 0.000 0.435 489 L N 2.392 123.770 121.223 0.258 0.000 2.385 489 L HA 0.545 4.885 4.340 0.000 0.000 0.273 489 L C -1.571 175.407 176.870 0.180 0.000 0.990 489 L CA -0.339 54.625 54.840 0.206 0.000 0.821 489 L CB 1.330 43.435 42.059 0.076 0.000 1.279 489 L HN 0.556 nan 8.230 nan 0.000 0.412 490 I N 5.579 126.224 120.570 0.125 0.000 2.406 490 I HA 0.475 4.645 4.170 0.000 0.000 0.290 490 I C -0.854 175.252 176.117 -0.018 0.000 0.999 490 I CA -0.950 60.351 61.300 0.001 0.000 1.124 490 I CB 1.999 40.003 38.000 0.008 0.000 1.289 490 I HN 0.261 nan 8.210 nan 0.000 0.441 491 V N 7.146 127.058 119.914 -0.002 0.000 2.357 491 V HA 0.321 4.441 4.120 0.000 0.000 0.284 491 V C -0.045 176.093 176.094 0.073 0.000 1.018 491 V CA -0.670 61.641 62.300 0.018 0.000 0.841 491 V CB 1.808 33.691 31.823 0.099 0.000 0.991 491 V HN 0.403 nan 8.190 nan 0.000 0.437 492 V N 4.155 124.025 119.914 -0.073 0.000 2.328 492 V HA 0.530 4.650 4.120 0.000 0.000 0.278 492 V C 0.904 176.987 176.094 -0.018 0.000 1.021 492 V CA -0.336 61.971 62.300 0.012 0.000 0.838 492 V CB 1.483 33.227 31.823 -0.132 0.000 0.999 492 V HN 0.936 nan 8.190 nan 0.000 0.447 493 G N 4.152 112.995 108.800 0.071 0.000 2.663 493 G HA2 0.421 4.381 3.960 0.000 0.000 0.320 493 G HA3 0.421 4.381 3.960 0.000 0.000 0.320 493 G C 0.727 175.689 174.900 0.105 0.000 0.937 493 G CA -0.372 44.699 45.100 -0.049 0.000 1.332 493 G HN 0.737 nan 8.290 nan 0.000 0.461 494 L N 1.729 122.981 121.223 0.048 0.000 2.127 494 L HA -0.047 4.293 4.340 0.000 0.000 0.211 494 L C 2.562 179.484 176.870 0.085 0.000 1.089 494 L CA 1.756 56.627 54.840 0.051 0.000 0.757 494 L CB 0.012 42.036 42.059 -0.058 0.000 0.899 494 L HN 0.631 nan 8.230 nan 0.000 0.434 495 T N -3.903 110.685 114.554 0.057 0.000 3.252 495 T HA 0.538 4.888 4.350 0.000 0.000 0.286 495 T C 0.358 175.104 174.700 0.077 0.000 1.013 495 T CA -0.113 62.024 62.100 0.062 0.000 0.914 495 T CB 0.202 69.087 68.868 0.027 0.000 1.131 495 T HN 0.121 nan 8.240 nan 0.000 0.529 496 A N 1.518 124.408 122.820 0.115 0.000 2.351 496 A HA 0.585 4.905 4.320 0.000 0.000 0.257 496 A C 1.536 179.223 177.584 0.173 0.000 1.087 496 A CA 0.095 52.231 52.037 0.166 0.000 0.798 496 A CB 0.490 19.677 19.000 0.312 0.000 1.033 496 A HN 0.518 nan 8.150 nan 0.000 0.488 497 T N -2.049 112.604 114.554 0.165 0.000 3.000 497 T HA 0.375 4.725 4.350 0.000 0.000 0.248 497 T C 0.193 174.997 174.700 0.173 0.000 1.034 497 T CA 0.766 62.954 62.100 0.146 0.000 1.060 497 T CB 0.042 68.973 68.868 0.105 0.000 0.983 497 T HN 0.682 nan 8.240 nan 0.000 0.482 498 E N 0.250 120.567 120.200 0.194 0.000 2.451 498 E HA 0.553 4.904 4.350 0.000 0.000 0.295 498 E C -1.725 175.018 176.600 0.238 0.000 0.966 498 E CA -1.051 55.441 56.400 0.153 0.000 0.808 498 E CB 1.266 31.045 29.700 0.132 0.000 1.242 498 E HN 0.410 nan 8.360 nan 0.000 0.412 499 F N 0.591 120.549 119.950 0.014 0.000 2.773 499 F HA 0.828 5.355 4.527 0.000 0.000 0.314 499 F C -1.321 174.469 175.800 -0.016 0.000 1.160 499 F CA -0.744 57.255 58.000 -0.002 0.000 0.920 499 F CB 1.449 40.440 39.000 -0.015 0.000 1.323 499 F HN 0.325 nan 8.300 nan 0.000 0.457 500 S N 1.629 117.401 115.700 0.120 0.000 2.720 500 S HA 0.675 5.145 4.470 0.000 0.000 0.278 500 S C -0.917 173.765 174.600 0.137 0.000 1.172 500 S CA -0.583 57.617 58.200 0.001 0.000 1.019 500 S CB 1.273 64.462 63.200 -0.019 0.000 1.049 500 S HN 0.763 nan 8.310 nan 0.000 0.483 501 I N 0.809 121.456 120.570 0.129 0.000 4.046 501 I HA 0.316 4.486 4.170 0.000 0.000 0.285 501 I C 1.338 177.529 176.117 0.123 0.000 1.183 501 I CA 0.051 61.440 61.300 0.150 0.000 1.337 501 I CB -0.802 37.281 38.000 0.138 0.000 1.478 501 I HN 0.798 nan 8.210 nan 0.000 0.452 502 A N 2.492 125.341 122.820 0.047 0.000 2.546 502 A HA -0.031 4.289 4.320 0.000 0.000 0.243 502 A C 0.029 177.634 177.584 0.036 0.000 1.063 502 A CA 0.367 52.418 52.037 0.025 0.000 0.757 502 A CB -0.242 18.727 19.000 -0.050 0.000 0.991 502 A HN 0.297 nan 8.150 nan 0.000 0.503 503 D N 3.525 123.960 120.400 0.058 0.000 2.325 503 D HA 0.244 4.884 4.640 0.000 0.000 0.251 503 D C -1.553 174.753 176.300 0.009 0.000 1.196 503 D CA -1.771 52.248 54.000 0.031 0.000 0.866 503 D CB 1.190 42.011 40.800 0.035 0.000 1.101 503 D HN 0.177 nan 8.370 nan 0.000 0.476 504 P HA -0.135 nan 4.420 nan 0.000 0.219 504 P C 0.931 178.218 177.300 -0.021 0.000 1.146 504 P CA 1.157 64.247 63.100 -0.016 0.000 0.808 504 P CB 0.262 31.952 31.700 -0.018 0.000 0.779 505 Q N -1.199 118.590 119.800 -0.018 0.000 2.435 505 Q HA 0.017 4.357 4.340 0.000 0.000 0.207 505 Q C 0.771 176.766 176.000 -0.009 0.000 0.956 505 Q CA 0.549 56.340 55.803 -0.021 0.000 0.917 505 Q CB 0.013 28.739 28.738 -0.021 0.000 0.997 505 Q HN 0.379 nan 8.270 nan 0.000 0.497 506 R N -0.189 120.316 120.500 0.008 0.000 2.691 506 R HA 0.386 4.726 4.340 0.000 0.000 0.259 506 R C 0.918 177.242 176.300 0.041 0.000 1.048 506 R CA -0.487 55.628 56.100 0.026 0.000 1.086 506 R CB 0.882 31.207 30.300 0.042 0.000 1.166 506 R HN -0.051 nan 8.270 nan 0.000 0.526 507 R N 0.370 120.903 120.500 0.055 0.000 2.446 507 R HA 0.007 4.347 4.340 0.000 0.000 0.254 507 R C -0.087 176.300 176.300 0.145 0.000 0.918 507 R CA 0.267 56.417 56.100 0.084 0.000 1.069 507 R CB 0.482 30.805 30.300 0.038 0.000 1.194 507 R HN 0.645 nan 8.270 nan 0.000 0.534 508 D N 0.173 120.650 120.400 0.128 0.000 2.336 508 D HA 0.038 4.678 4.640 0.000 0.000 0.228 508 D C 0.293 176.787 176.300 0.322 0.000 1.120 508 D CA 0.232 54.320 54.000 0.148 0.000 0.839 508 D CB 0.174 41.016 40.800 0.071 0.000 0.932 508 D HN 0.036 nan 8.370 nan 0.000 0.509 509 M N 0.247 120.056 119.600 0.347 0.000 2.446 509 M HA 0.464 4.944 4.480 0.000 0.000 0.294 509 M C -1.705 174.555 176.300 -0.066 0.000 1.158 509 M CA -1.122 54.295 55.300 0.194 0.000 0.899 509 M CB 3.217 35.868 32.600 0.085 0.000 1.687 509 M HN -0.101 nan 8.290 nan 0.000 0.455 510 L N 2.202 123.217 121.223 -0.348 0.000 2.464 510 L HA 0.610 4.950 4.340 0.000 0.000 0.266 510 L C -1.835 174.857 176.870 -0.297 0.000 0.965 510 L CA -0.118 54.373 54.840 -0.582 0.000 0.833 510 L CB 1.888 43.122 42.059 -1.375 0.000 1.296 510 L HN 0.525 nan 8.230 nan 0.000 0.405 511 D N 3.784 124.037 120.400 -0.245 0.000 2.233 511 D HA 0.493 5.133 4.640 0.000 0.000 0.240 511 D C -0.813 175.368 176.300 -0.199 0.000 1.074 511 D CA 0.055 53.943 54.000 -0.187 0.000 0.838 511 D CB 2.421 42.954 40.800 -0.446 0.000 1.124 511 D HN 0.272 nan 8.370 nan 0.000 0.475 512 V N 2.853 122.771 119.914 0.006 0.000 2.334 512 V HA 0.249 4.369 4.120 0.000 0.000 0.281 512 V C 0.081 176.252 176.094 0.128 0.000 1.016 512 V CA -0.789 61.555 62.300 0.073 0.000 0.832 512 V CB 1.662 33.620 31.823 0.225 0.000 0.999 512 V HN 0.257 nan 8.190 nan 0.000 0.439 513 V N 5.454 125.307 119.914 -0.102 0.000 2.333 513 V HA 0.836 4.956 4.120 0.000 0.000 0.274 513 V C 0.896 177.037 176.094 0.077 0.000 1.028 513 V CA 0.660 62.955 62.300 -0.008 0.000 0.851 513 V CB 0.309 31.937 31.823 -0.325 0.000 1.000 513 V HN 1.269 nan 8.190 nan 0.000 0.456 514 G N 4.337 113.255 108.800 0.196 0.000 2.632 514 G HA2 -0.112 3.848 3.960 0.000 0.000 0.224 514 G HA3 -0.112 3.848 3.960 0.000 0.000 0.224 514 G C -1.043 174.066 174.900 0.348 0.000 1.341 514 G CA 0.034 45.254 45.100 0.200 0.000 0.880 514 G HN 0.835 nan 8.290 nan 0.000 0.566 515 F N 1.241 121.231 119.950 0.067 0.000 2.668 515 F HA 0.612 5.139 4.527 0.000 0.000 0.309 515 F C -0.642 175.201 175.800 0.073 0.000 1.117 515 F CA 0.137 58.193 58.000 0.093 0.000 0.951 515 F CB 2.368 41.433 39.000 0.108 0.000 1.323 515 F HN 1.211 nan 8.300 nan 0.000 0.451 516 D N 0.907 121.199 120.400 -0.179 0.000 2.792 516 D HA 0.424 5.064 4.640 0.000 0.000 0.335 516 D C -0.159 176.008 176.300 -0.221 0.000 1.353 516 D CA -0.065 53.882 54.000 -0.088 0.000 0.839 516 D CB 0.575 41.357 40.800 -0.030 0.000 1.396 516 D HN 0.579 nan 8.370 nan 0.000 0.479 517 A N -0.285 122.473 122.820 -0.104 0.000 2.019 517 A HA 0.248 4.568 4.320 0.000 0.000 0.219 517 A C 1.985 179.460 177.584 -0.182 0.000 1.164 517 A CA 2.357 54.316 52.037 -0.129 0.000 0.644 517 A CB -1.107 17.864 19.000 -0.049 0.000 0.805 517 A HN 0.810 nan 8.150 nan 0.000 0.449 518 A N -0.679 122.073 122.820 -0.113 0.000 2.123 518 A HA 0.431 4.751 4.320 0.000 0.000 0.214 518 A C 2.272 179.732 177.584 -0.208 0.000 1.152 518 A CA 1.243 53.221 52.037 -0.098 0.000 0.728 518 A CB -0.596 18.434 19.000 0.049 0.000 0.814 518 A HN 0.843 nan 8.150 nan 0.000 0.464 519 A N 1.006 123.655 122.820 -0.285 0.000 1.902 519 A HA -0.009 4.311 4.320 0.000 0.000 0.217 519 A C 0.162 177.556 177.584 -0.317 0.000 1.181 519 A CA 1.753 53.569 52.037 -0.368 0.000 0.623 519 A CB -1.492 16.995 19.000 -0.854 0.000 0.818 519 A HN 0.427 nan 8.150 nan 0.000 0.443 520 P HA -0.128 nan 4.420 nan 0.000 0.215 520 P C 0.922 178.185 177.300 -0.061 0.000 1.153 520 P CA 1.558 64.609 63.100 -0.080 0.000 0.853 520 P CB -0.251 31.346 31.700 -0.172 0.000 0.788 521 N N -1.001 117.622 118.700 -0.128 0.000 2.188 521 N HA -0.092 4.648 4.740 0.000 0.000 0.184 521 N C 1.532 176.974 175.510 -0.113 0.000 1.018 521 N CA 0.551 53.549 53.050 -0.087 0.000 0.858 521 N CB -0.407 38.026 38.487 -0.090 0.000 0.989 521 N HN -0.084 nan 8.380 nan 0.000 0.426 522 V N 1.411 121.186 119.914 -0.231 0.000 2.343 522 V HA -0.220 3.900 4.120 0.000 0.000 0.247 522 V C 2.145 178.166 176.094 -0.121 0.000 1.051 522 V CA 1.551 63.667 62.300 -0.305 0.000 1.036 522 V CB -0.342 31.023 31.823 -0.763 0.000 0.654 522 V HN 0.338 nan 8.190 nan 0.000 0.451 523 M N -0.687 118.878 119.600 -0.058 0.000 2.132 523 M HA -0.150 4.330 4.480 0.000 0.000 0.263 523 M C 2.256 178.661 176.300 0.175 0.000 1.065 523 M CA 2.006 57.361 55.300 0.091 0.000 1.122 523 M CB -0.642 32.042 32.600 0.140 0.000 1.365 523 M HN 0.324 nan 8.290 nan 0.000 0.411 524 T N 0.672 115.295 114.554 0.115 0.000 2.777 524 T HA -0.079 4.271 4.350 0.000 0.000 0.266 524 T C 1.907 176.657 174.700 0.084 0.000 1.040 524 T CA 1.521 63.690 62.100 0.116 0.000 1.141 524 T CB -0.339 68.574 68.868 0.075 0.000 0.868 524 T HN 0.483 nan 8.240 nan 0.000 0.444 525 A N 1.030 123.880 122.820 0.050 0.000 1.902 525 A HA -0.048 4.272 4.320 0.000 0.000 0.217 525 A C 2.032 179.652 177.584 0.059 0.000 1.181 525 A CA 1.466 53.521 52.037 0.031 0.000 0.623 525 A CB -1.015 17.984 19.000 -0.002 0.000 0.818 525 A HN 0.536 nan 8.150 nan 0.000 0.443 526 F N 0.964 120.887 119.950 -0.044 0.000 2.102 526 F HA -0.085 4.441 4.527 -0.000 0.000 0.298 526 F C 2.462 178.254 175.800 -0.015 0.000 1.105 526 F CA 1.522 59.502 58.000 -0.034 0.000 1.239 526 F CB -0.268 38.707 39.000 -0.042 0.000 0.991 526 F HN 0.243 nan 8.300 nan 0.000 0.474 527 A N 0.597 123.397 122.820 -0.034 0.000 1.972 527 A HA -0.155 4.165 4.320 0.000 0.000 0.219 527 A C 2.169 179.659 177.584 -0.157 0.000 1.169 527 A CA 1.423 53.376 52.037 -0.140 0.000 0.635 527 A CB -0.691 18.341 19.000 0.053 0.000 0.810 527 A HN 0.492 nan 8.150 nan 0.000 0.446 528 R N -1.290 119.160 120.500 -0.083 0.000 2.323 528 R HA 0.141 4.481 4.340 0.000 0.000 0.198 528 R C 1.228 177.465 176.300 -0.105 0.000 0.988 528 R CA 0.517 56.578 56.100 -0.065 0.000 1.041 528 R CB -0.194 30.093 30.300 -0.021 0.000 0.926 528 R HN 0.699 nan 8.270 nan 0.000 0.476 529 G N 1.324 110.011 108.800 -0.188 0.000 2.136 529 G HA2 -0.291 3.669 3.960 0.000 0.000 0.242 529 G HA3 -0.291 3.669 3.960 0.000 0.000 0.242 529 G C 0.325 175.163 174.900 -0.103 0.000 0.989 529 G CA 0.272 45.261 45.100 -0.185 0.000 0.682 529 G HN 0.468 nan 8.290 nan 0.000 0.522 530 E N -0.768 119.392 120.200 -0.066 0.000 2.474 530 E HA 0.382 4.732 4.350 0.000 0.000 0.195 530 E C 0.913 177.519 176.600 0.011 0.000 1.039 530 E CA 0.267 56.654 56.400 -0.021 0.000 0.881 530 E CB 0.851 30.544 29.700 -0.012 0.000 0.970 530 E HN 0.432 nan 8.360 nan 0.000 0.486 531 V N 0.000 119.938 119.914 0.040 0.000 2.409 531 V HA 0.000 4.120 4.120 0.000 0.000 0.244 531 V CA 0.000 62.360 62.300 0.101 0.000 1.235 531 V CB 0.000 31.920 31.823 0.162 0.000 1.184 531 V HN 0.000 nan 8.190 nan 0.000 0.556