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 2ead_1_B DATA FIRST_RESID 13 DATA SEQUENCE TSKDDWLWYK QPASQTDATA TAGGNYGNPD NNRWQQTTLP FGNGKIGGTV DATA SEQUENCE WGEVSRERVT FNEETLWTGG PGSSTSYNGG NNETKGQNGA TLRALNKQLA DATA SEQUENCE NGAETVNPGN LTGGENAAEQ GNYLNWGDIY LDYGFNDTTV TEYRRDLNLS DATA SEQUENCE KGKADVTFKH DGVTYTREYF ASNPDNVMVA RLTASKAGKL NFNVSMPTNT DATA SEQUENCE NYSKTGETTT VKGDTLTVKG ALGNNGLLYN SQIKVVLDNG EGTLSEGSDG DATA SEQUENCE ASLKVSDAKA VTLYIAAATD YKQKYPSYRT GETAAEVNTR VAKVVQDAAN DATA SEQUENCE KGYTAVKKAH IDDHSAIYDR VKIDLGQSGH SSDGAVATDA LLKAYQRGSA DATA SEQUENCE TTAQKRELET LVYKYGRYLT IGSSRENSQL PSNLQGIWSV TAGDNAHGNT DATA SEQUENCE PWGSDFHMNV NLQMNYWPTY SANMGELAEP LIEYVEGLVK PGRVTAKVYA DATA SEQUENCE GAETTNPETT PIGEGEGYMA HTENTAYGWT APGQSFSWGW SPAAVPWILQ DATA SEQUENCE NVYEAYEYSG DPALLDRVYA LLKEESHFYV NYMLHKAGSS SGDRLTTGVA DATA SEQUENCE YSPAQGPLGT DGNTYESSLV WQMLNDAIEA AKAKGDPDGL VGNTTDcSAD DATA SEQUENCE NWAKNDSGNF TDANANRSWS cAKSLLKPIE VGDSGQIKEW YFEGALGKKK DATA SEQUENCE DGSTISGYQA DNQHRHMSHL LGLFPGDLIT IDNSEYMDAA KTSLRYRCFK DATA SEQUENCE GNVLQSNTGW AIGQRINSWA RTGDGNTTYQ LVELQLKNAM YANLFDYHAP DATA SEQUENCE FQIDGNFGNT SGVDEMLLQS NSTFTDTAGK KYVNYTNILP ALPDAWAGGS DATA SEQUENCE VSGLVARGNF TVGTTWKNGK ATEVRLTSNK GKQAAVKITA GGAQNYEVKN DATA SEQUENCE GDTAVNAKVV TNADGASLLV FDTTAGTTYT ITKK 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 13 T HA 0.000 nan 4.350 nan 0.000 0.228 13 T C 0.000 174.695 174.700 -0.008 0.000 1.109 13 T CA 0.000 62.153 62.100 0.088 0.000 1.349 13 T CB 0.000 69.018 68.868 0.250 0.000 0.612 14 S N 1.968 117.615 115.700 -0.087 0.000 2.399 14 S HA -0.038 4.432 4.470 -0.001 0.000 0.231 14 S C 1.656 176.084 174.600 -0.287 0.000 1.022 14 S CA 0.480 58.533 58.200 -0.246 0.000 0.983 14 S CB -0.405 62.669 63.200 -0.208 0.000 0.803 14 S HN 0.394 nan 8.310 nan 0.000 0.480 15 K N 1.386 121.709 120.400 -0.127 0.000 2.404 15 K HA 0.296 4.616 4.320 -0.001 0.000 0.194 15 K C -0.548 176.051 176.600 -0.002 0.000 1.023 15 K CA 0.007 56.243 56.287 -0.086 0.000 1.094 15 K CB -0.239 32.237 32.500 -0.040 0.000 0.841 15 K HN 0.441 nan 8.250 nan 0.000 0.523 16 D N 1.889 122.315 120.400 0.045 0.000 2.344 16 D HA 0.074 4.713 4.640 -0.001 0.000 0.244 16 D C -0.223 176.172 176.300 0.159 0.000 1.134 16 D CA 0.047 54.129 54.000 0.137 0.000 0.930 16 D CB 0.769 41.690 40.800 0.202 0.000 1.175 16 D HN -0.077 nan 8.370 nan 0.000 0.437 17 D N 1.180 121.723 120.400 0.238 0.000 2.295 17 D HA 0.149 4.788 4.640 -0.001 0.000 0.248 17 D C -0.279 176.232 176.300 0.352 0.000 1.154 17 D CA -0.074 54.086 54.000 0.266 0.000 0.857 17 D CB 0.480 41.466 40.800 0.310 0.000 1.117 17 D HN 0.166 nan 8.370 nan 0.000 0.468 18 W N 2.124 123.434 121.300 0.017 0.000 2.666 18 W HA 0.428 5.088 4.660 -0.001 0.000 0.334 18 W C -0.251 176.276 176.519 0.014 0.000 1.051 18 W CA -0.843 56.451 57.345 -0.085 0.000 1.224 18 W CB 0.804 30.084 29.460 -0.300 0.000 1.405 18 W HN 0.104 nan 8.180 nan 0.000 0.513 19 L N 4.849 126.140 121.223 0.114 0.000 2.275 19 L HA 0.528 4.867 4.340 -0.001 0.000 0.288 19 L C -0.214 176.698 176.870 0.071 0.000 1.046 19 L CA -0.602 54.227 54.840 -0.018 0.000 0.805 19 L CB 0.592 42.556 42.059 -0.160 0.000 1.193 19 L HN 0.439 nan 8.230 nan 0.000 0.426 20 W N 3.232 124.259 121.300 -0.456 0.000 3.118 20 W HA 0.619 5.278 4.660 -0.001 0.000 0.328 20 W C -2.443 173.600 176.519 -0.792 0.000 1.239 20 W CA -1.131 55.996 57.345 -0.363 0.000 1.176 20 W CB 0.889 30.336 29.460 -0.021 0.000 1.433 20 W HN 0.307 nan 8.180 nan 0.000 0.562 21 Y N 0.907 121.285 120.300 0.131 0.000 2.479 21 Y HA 0.293 4.842 4.550 -0.001 0.000 0.338 21 Y C 0.707 176.738 175.900 0.218 0.000 1.055 21 Y CA -1.172 56.933 58.100 0.009 0.000 1.023 21 Y CB 2.803 41.249 38.460 -0.024 0.000 1.287 21 Y HN 0.354 nan 8.280 nan 0.000 0.447 22 K N 2.127 122.682 120.400 0.259 0.000 2.446 22 K HA 0.129 4.448 4.320 -0.001 0.000 0.203 22 K C -0.290 176.475 176.600 0.274 0.000 1.027 22 K CA -0.023 56.462 56.287 0.330 0.000 1.166 22 K CB 0.304 32.926 32.500 0.202 0.000 0.869 22 K HN 0.577 nan 8.250 nan 0.000 0.504 23 Q N -0.748 119.147 119.800 0.159 0.000 2.578 23 Q HA 0.333 4.672 4.340 -0.001 0.000 0.284 23 Q C -3.398 172.369 176.000 -0.388 0.000 0.960 23 Q CA -2.573 53.012 55.803 -0.363 0.000 0.809 23 Q CB 0.977 29.588 28.738 -0.210 0.000 1.462 23 Q HN -0.249 nan 8.270 nan 0.000 0.392 24 P HA 0.062 nan 4.420 nan 0.000 0.270 24 P C 0.483 177.705 177.300 -0.129 0.000 1.227 24 P CA 0.916 63.869 63.100 -0.246 0.000 0.788 24 P CB 0.291 31.847 31.700 -0.240 0.000 0.926 25 A N 1.871 124.653 122.820 -0.062 0.000 1.927 25 A HA -0.258 4.061 4.320 -0.001 0.000 0.220 25 A C 2.225 179.777 177.584 -0.054 0.000 1.185 25 A CA 2.811 54.766 52.037 -0.136 0.000 0.639 25 A CB -2.042 16.855 19.000 -0.172 0.000 0.820 25 A HN 0.657 nan 8.150 nan 0.000 0.451 26 S N -0.698 115.038 115.700 0.060 0.000 2.420 26 S HA -0.240 4.229 4.470 -0.001 0.000 0.237 26 S C 1.546 176.127 174.600 -0.032 0.000 1.023 26 S CA 1.628 59.858 58.200 0.050 0.000 0.991 26 S CB -0.422 62.807 63.200 0.048 0.000 0.792 26 S HN 0.748 nan 8.310 nan 0.000 0.488 27 Q N 0.535 120.285 119.800 -0.084 0.000 2.247 27 Q HA 0.234 4.574 4.340 -0.001 0.000 0.211 27 Q C -0.370 175.573 176.000 -0.095 0.000 0.861 27 Q CA -0.019 55.726 55.803 -0.096 0.000 0.949 27 Q CB 0.789 29.448 28.738 -0.131 0.000 1.115 27 Q HN 0.413 nan 8.270 nan 0.000 0.507 28 T N 1.432 115.917 114.554 -0.115 0.000 2.889 28 T HA 0.028 4.378 4.350 -0.001 0.000 0.291 28 T C -0.205 174.423 174.700 -0.121 0.000 0.995 28 T CA -0.536 61.490 62.100 -0.122 0.000 1.092 28 T CB 1.112 69.858 68.868 -0.204 0.000 0.954 28 T HN 0.061 nan 8.240 nan 0.000 0.506 29 D N 1.754 122.098 120.400 -0.094 0.000 2.472 29 D HA 0.130 4.769 4.640 -0.001 0.000 0.248 29 D C -0.014 176.207 176.300 -0.132 0.000 1.174 29 D CA -0.031 53.917 54.000 -0.087 0.000 0.883 29 D CB 0.525 41.293 40.800 -0.053 0.000 1.149 29 D HN 0.640 nan 8.370 nan 0.000 0.488 30 A N 2.958 125.693 122.820 -0.141 0.000 2.643 30 A HA 0.125 4.445 4.320 -0.001 0.000 0.295 30 A C 1.159 178.640 177.584 -0.172 0.000 1.065 30 A CA -0.220 51.692 52.037 -0.209 0.000 0.986 30 A CB -0.061 18.809 19.000 -0.216 0.000 1.212 30 A HN 0.554 nan 8.150 nan 0.000 0.516 31 T N -2.933 111.556 114.554 -0.109 0.000 3.107 31 T HA 0.496 4.845 4.350 -0.001 0.000 0.249 31 T C 0.908 175.575 174.700 -0.056 0.000 1.096 31 T CA 0.595 62.654 62.100 -0.070 0.000 1.012 31 T CB -0.189 68.657 68.868 -0.037 0.000 0.977 31 T HN 0.665 nan 8.240 nan 0.000 0.527 32 A N 1.795 124.575 122.820 -0.068 0.000 2.386 32 A HA 0.485 4.805 4.320 -0.001 0.000 0.246 32 A C 0.717 178.242 177.584 -0.099 0.000 1.089 32 A CA -0.399 51.619 52.037 -0.031 0.000 0.790 32 A CB -0.390 18.661 19.000 0.084 0.000 1.042 32 A HN 0.407 nan 8.150 nan 0.000 0.497 33 T N 1.701 116.196 114.554 -0.099 0.000 2.800 33 T HA 0.229 4.579 4.350 -0.001 0.000 0.283 33 T C 1.527 176.167 174.700 -0.101 0.000 0.999 33 T CA 0.567 62.623 62.100 -0.074 0.000 1.176 33 T CB 0.498 69.369 68.868 0.004 0.000 0.973 33 T HN 0.898 nan 8.240 nan 0.000 0.519 34 A N 3.720 126.511 122.820 -0.049 0.000 1.897 34 A HA 0.488 4.807 4.320 -0.001 0.000 0.215 34 A C 1.500 179.119 177.584 0.057 0.000 1.181 34 A CA 0.891 52.903 52.037 -0.043 0.000 0.620 34 A CB -1.022 17.984 19.000 0.011 0.000 0.821 34 A HN 1.681 nan 8.150 nan 0.000 0.443 35 G N -2.551 106.313 108.800 0.108 0.000 2.781 35 G HA2 0.339 4.298 3.960 -0.001 0.000 0.683 35 G HA3 0.339 4.298 3.960 -0.001 0.000 0.683 35 G C 0.363 175.363 174.900 0.168 0.000 1.390 35 G CA -0.318 44.882 45.100 0.166 0.000 0.850 35 G HN 1.467 nan 8.290 nan 0.000 0.557 36 G N -0.981 107.875 108.800 0.094 0.000 2.432 36 G HA2 0.490 4.449 3.960 -0.001 0.000 0.239 36 G HA3 0.490 4.449 3.960 -0.001 0.000 0.239 36 G C 0.769 175.669 174.900 0.000 0.000 1.291 36 G CA 1.034 46.129 45.100 -0.008 0.000 0.863 36 G HN 1.928 nan 8.290 nan 0.000 0.560 37 N N -0.894 117.758 118.700 -0.080 0.000 2.965 37 N HA -0.212 4.528 4.740 -0.001 0.000 0.232 37 N C -0.279 175.050 175.510 -0.302 0.000 0.913 37 N CA 1.203 54.126 53.050 -0.212 0.000 0.981 37 N CB -0.990 37.295 38.487 -0.337 0.000 1.077 37 N HN 0.604 nan 8.380 nan 0.000 0.589 38 Y N -0.743 119.545 120.300 -0.020 0.000 2.736 38 Y HA 0.427 4.977 4.550 -0.001 0.000 0.293 38 Y C 1.677 177.577 175.900 0.001 0.000 1.062 38 Y CA -0.161 57.945 58.100 0.010 0.000 1.247 38 Y CB 0.663 39.147 38.460 0.041 0.000 1.200 38 Y HN 0.176 nan 8.280 nan 0.000 0.552 39 G N -0.020 108.817 108.800 0.061 0.000 2.534 39 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.217 39 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.217 39 G C 0.671 175.591 174.900 0.034 0.000 1.128 39 G CA -0.021 45.103 45.100 0.040 0.000 0.784 39 G HN 0.265 nan 8.290 nan 0.000 0.542 40 N N 0.939 119.657 118.700 0.029 0.000 2.411 40 N HA 0.142 4.881 4.740 -0.001 0.000 0.259 40 N C -1.652 173.907 175.510 0.081 0.000 1.103 40 N CA -1.467 51.604 53.050 0.035 0.000 0.954 40 N CB 1.953 40.446 38.487 0.010 0.000 1.085 40 N HN -0.129 nan 8.380 nan 0.000 0.485 41 P HA -0.120 nan 4.420 nan 0.000 0.217 41 P C 0.636 178.011 177.300 0.125 0.000 1.148 41 P CA 1.116 64.261 63.100 0.075 0.000 0.828 41 P CB 0.342 32.070 31.700 0.048 0.000 0.783 42 D N -1.513 118.976 120.400 0.149 0.000 2.144 42 D HA -0.132 4.507 4.640 -0.001 0.000 0.200 42 D C 1.734 178.254 176.300 0.368 0.000 0.978 42 D CA 1.016 55.168 54.000 0.254 0.000 0.833 42 D CB -0.420 40.491 40.800 0.184 0.000 0.961 42 D HN -0.062 nan 8.370 nan 0.000 0.470 43 N N 0.134 119.003 118.700 0.282 0.000 2.142 43 N HA -0.144 4.596 4.740 -0.001 0.000 0.186 43 N C 1.496 177.337 175.510 0.552 0.000 1.023 43 N CA 0.716 53.989 53.050 0.370 0.000 0.852 43 N CB -0.610 37.971 38.487 0.158 0.000 0.998 43 N HN 0.254 nan 8.380 nan 0.000 0.424 44 N N 1.303 120.236 118.700 0.389 0.000 2.104 44 N HA -0.143 4.596 4.740 -0.001 0.000 0.190 44 N C 1.731 177.220 175.510 -0.035 0.000 1.024 44 N CA 1.004 54.151 53.050 0.163 0.000 0.853 44 N CB 0.001 38.521 38.487 0.055 0.000 1.008 44 N HN 0.145 nan 8.380 nan 0.000 0.424 45 R N -1.002 119.515 120.500 0.028 0.000 2.091 45 R HA -0.182 4.157 4.340 -0.001 0.000 0.238 45 R C 2.032 178.137 176.300 -0.324 0.000 1.136 45 R CA 1.793 57.827 56.100 -0.109 0.000 0.959 45 R CB -0.652 29.688 30.300 0.066 0.000 0.856 45 R HN 0.510 nan 8.270 nan 0.000 0.437 46 W N 2.015 123.106 121.300 -0.349 0.000 2.317 46 W HA -0.323 4.337 4.660 -0.001 0.000 0.318 46 W C 2.189 178.463 176.519 -0.408 0.000 1.227 46 W CA 2.382 59.406 57.345 -0.535 0.000 1.269 46 W CB -0.446 29.002 29.460 -0.020 0.000 1.155 46 W HN 0.333 nan 8.180 nan 0.000 0.484 47 Q N -0.734 118.905 119.800 -0.269 0.000 2.230 47 Q HA -0.184 4.155 4.340 -0.001 0.000 0.202 47 Q C 1.901 177.519 176.000 -0.636 0.000 0.963 47 Q CA 1.705 57.165 55.803 -0.572 0.000 0.866 47 Q CB -0.653 27.980 28.738 -0.175 0.000 0.931 47 Q HN 0.490 nan 8.270 nan 0.000 0.452 48 Q N 0.327 119.690 119.800 -0.729 0.000 2.376 48 Q HA 0.023 4.363 4.340 -0.001 0.000 0.206 48 Q C 1.133 176.789 176.000 -0.574 0.000 0.921 48 Q CA 1.482 56.843 55.803 -0.737 0.000 0.911 48 Q CB 0.948 29.187 28.738 -0.831 0.000 1.032 48 Q HN 0.657 nan 8.270 nan 0.000 0.510 49 T N -3.464 110.671 114.554 -0.699 0.000 3.009 49 T HA 0.052 4.402 4.350 -0.001 0.000 0.267 49 T C 0.876 175.065 174.700 -0.850 0.000 0.942 49 T CA 0.153 61.834 62.100 -0.698 0.000 0.883 49 T CB 0.279 68.814 68.868 -0.556 0.000 1.192 49 T HN 0.151 nan 8.240 nan 0.000 0.524 50 T N 1.258 115.200 114.554 -1.020 0.000 2.918 50 T HA 0.709 5.058 4.350 -0.001 0.000 0.283 50 T C -0.275 173.892 174.700 -0.887 0.000 1.001 50 T CA -0.883 60.631 62.100 -0.977 0.000 1.041 50 T CB 1.039 69.210 68.868 -1.163 0.000 1.028 50 T HN 0.272 nan 8.240 nan 0.000 0.511 51 L N 3.044 123.904 121.223 -0.605 0.000 2.298 51 L HA 0.466 4.806 4.340 -0.001 0.000 0.284 51 L C -2.229 174.459 176.870 -0.302 0.000 1.013 51 L CA -2.365 52.194 54.840 -0.469 0.000 0.824 51 L CB 2.018 43.899 42.059 -0.297 0.000 1.221 51 L HN 0.539 nan 8.230 nan 0.000 0.418 52 P HA 0.398 nan 4.420 nan 0.000 0.286 52 P C -1.265 176.057 177.300 0.036 0.000 1.261 52 P CA -0.286 62.499 63.100 -0.525 0.000 0.821 52 P CB 1.268 32.155 31.700 -1.355 0.000 1.013 53 F N -0.774 119.257 119.950 0.135 0.000 2.662 53 F HA 0.916 5.442 4.527 -0.001 0.000 0.312 53 F C -0.651 175.514 175.800 0.609 0.000 1.113 53 F CA -0.881 57.350 58.000 0.385 0.000 0.951 53 F CB 1.485 40.668 39.000 0.304 0.000 1.344 53 F HN 0.617 nan 8.300 nan 0.000 0.462 54 G N 0.662 109.784 108.800 0.536 0.000 2.523 54 G HA2 0.360 4.319 3.960 -0.001 0.000 0.291 54 G HA3 0.360 4.319 3.960 -0.001 0.000 0.291 54 G C -1.826 173.246 174.900 0.285 0.000 1.450 54 G CA -0.717 44.563 45.100 0.300 0.000 0.790 54 G HN 1.097 nan 8.290 nan 0.000 0.496 55 N N -0.992 117.810 118.700 0.171 0.000 2.235 55 N HA 0.370 5.110 4.740 -0.001 0.000 0.231 55 N C 1.348 176.918 175.510 0.101 0.000 1.177 55 N CA 0.694 53.856 53.050 0.186 0.000 0.874 55 N CB 0.936 39.544 38.487 0.202 0.000 1.097 55 N HN 2.004 nan 8.380 nan 0.000 0.518 56 G N 0.323 109.140 108.800 0.028 0.000 2.217 56 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.246 56 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.246 56 G C 0.846 175.710 174.900 -0.059 0.000 0.990 56 G CA 0.722 45.808 45.100 -0.023 0.000 0.627 56 G HN 0.488 nan 8.290 nan 0.000 0.522 57 K N -0.589 119.782 120.400 -0.048 0.000 2.494 57 K HA 0.396 4.715 4.320 -0.001 0.000 0.201 57 K C 1.153 177.688 176.600 -0.108 0.000 1.338 57 K CA 0.624 56.887 56.287 -0.040 0.000 0.935 57 K CB 0.565 33.082 32.500 0.030 0.000 1.514 57 K HN 0.577 nan 8.250 nan 0.000 0.490 58 I N -0.788 119.709 120.570 -0.121 0.000 2.607 58 I HA 0.671 4.841 4.170 -0.001 0.000 0.305 58 I C -0.239 175.681 176.117 -0.330 0.000 0.995 58 I CA -0.948 60.182 61.300 -0.282 0.000 1.148 58 I CB 1.955 39.851 38.000 -0.173 0.000 1.323 58 I HN -0.011 nan 8.210 nan 0.000 0.461 59 G N 2.053 110.523 108.800 -0.550 0.000 2.667 59 G HA2 0.694 4.654 3.960 -0.001 0.000 0.298 59 G HA3 0.694 4.654 3.960 -0.001 0.000 0.298 59 G C -1.200 173.419 174.900 -0.469 0.000 1.377 59 G CA -0.851 44.002 45.100 -0.411 0.000 0.964 59 G HN 1.025 nan 8.290 nan 0.000 0.493 60 G N -0.344 108.062 108.800 -0.656 0.000 2.524 60 G HA2 0.698 4.658 3.960 -0.001 0.000 0.310 60 G HA3 0.698 4.658 3.960 -0.001 0.000 0.310 60 G C -0.586 174.168 174.900 -0.243 0.000 1.279 60 G CA -0.561 44.199 45.100 -0.566 0.000 0.974 60 G HN 0.961 nan 8.290 nan 0.000 0.484 61 T N -0.872 113.742 114.554 0.101 0.000 2.864 61 T HA 0.529 4.878 4.350 -0.001 0.000 0.299 61 T C -0.324 174.439 174.700 0.105 0.000 1.011 61 T CA -0.600 61.550 62.100 0.083 0.000 0.975 61 T CB 1.515 70.511 68.868 0.213 0.000 0.962 61 T HN 0.371 nan 8.240 nan 0.000 0.448 62 V N 3.634 123.557 119.914 0.015 0.000 2.498 62 V HA 0.189 4.308 4.120 -0.001 0.000 0.279 62 V C 0.329 176.412 176.094 -0.018 0.000 1.048 62 V CA -0.414 61.894 62.300 0.014 0.000 0.967 62 V CB 0.704 32.501 31.823 -0.043 0.000 0.988 62 V HN 0.983 nan 8.190 nan 0.000 0.473 63 W N 2.318 123.572 121.300 -0.078 0.000 2.539 63 W HA 0.348 5.007 4.660 -0.001 0.000 0.281 63 W C 1.889 178.400 176.519 -0.013 0.000 1.220 63 W CA 0.671 57.979 57.345 -0.061 0.000 1.332 63 W CB -0.427 29.017 29.460 -0.026 0.000 1.095 63 W HN 0.865 nan 8.180 nan 0.000 0.571 64 G N 0.923 109.889 108.800 0.277 0.000 2.198 64 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.257 64 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.257 64 G C 0.044 175.119 174.900 0.292 0.000 1.042 64 G CA -0.169 45.110 45.100 0.298 0.000 0.791 64 G HN 0.088 nan 8.290 nan 0.000 0.502 65 E N -0.423 119.893 120.200 0.193 0.000 2.398 65 E HA 0.311 4.661 4.350 -0.001 0.000 0.263 65 E C 1.740 178.331 176.600 -0.015 0.000 1.046 65 E CA -0.126 56.316 56.400 0.070 0.000 0.908 65 E CB 1.344 31.070 29.700 0.043 0.000 0.963 65 E HN 0.085 nan 8.360 nan 0.000 0.431 66 V N 2.076 121.887 119.914 -0.171 0.000 2.270 66 V HA -0.224 3.896 4.120 -0.001 0.000 0.245 66 V C 2.125 178.072 176.094 -0.246 0.000 1.043 66 V CA 2.317 64.346 62.300 -0.451 0.000 1.014 66 V CB -0.235 31.223 31.823 -0.609 0.000 0.645 66 V HN 0.640 nan 8.190 nan 0.000 0.447 67 S N -1.042 114.586 115.700 -0.120 0.000 2.433 67 S HA 0.078 4.548 4.470 -0.001 0.000 0.216 67 S C 1.473 176.026 174.600 -0.080 0.000 1.031 67 S CA 0.002 58.127 58.200 -0.125 0.000 0.931 67 S CB -0.016 63.174 63.200 -0.015 0.000 0.875 67 S HN 0.438 nan 8.310 nan 0.000 0.553 68 R N 2.064 122.548 120.500 -0.027 0.000 3.235 68 R HA 0.238 4.578 4.340 -0.001 0.000 0.232 68 R C -0.593 175.755 176.300 0.079 0.000 1.475 68 R CA -0.210 55.911 56.100 0.036 0.000 1.405 68 R CB 0.014 30.311 30.300 -0.005 0.000 1.266 68 R HN 0.235 nan 8.270 nan 0.000 0.650 69 E N 2.238 122.498 120.200 0.100 0.000 2.415 69 E HA -0.013 4.337 4.350 -0.001 0.000 0.262 69 E C -0.896 175.741 176.600 0.061 0.000 1.038 69 E CA 0.269 56.729 56.400 0.100 0.000 0.921 69 E CB 0.621 30.407 29.700 0.144 0.000 0.950 69 E HN 0.465 nan 8.360 nan 0.000 0.438 70 R N 2.789 123.258 120.500 -0.051 0.000 2.564 70 R HA 0.487 4.827 4.340 -0.001 0.000 0.284 70 R C -1.894 174.349 176.300 -0.095 0.000 1.031 70 R CA -0.747 55.153 56.100 -0.333 0.000 0.904 70 R CB 1.438 31.281 30.300 -0.761 0.000 1.199 70 R HN 0.394 nan 8.270 nan 0.000 0.443 71 V N 3.646 123.482 119.914 -0.130 0.000 2.349 71 V HA 0.261 4.381 4.120 -0.001 0.000 0.284 71 V C -0.045 176.105 176.094 0.093 0.000 1.014 71 V CA -0.662 61.654 62.300 0.027 0.000 0.826 71 V CB 1.687 33.460 31.823 -0.083 0.000 1.009 71 V HN 0.814 nan 8.190 nan 0.000 0.431 72 T N 5.839 120.568 114.554 0.292 0.000 2.916 72 T HA 0.343 4.693 4.350 -0.001 0.000 0.303 72 T C -0.573 174.274 174.700 0.245 0.000 1.025 72 T CA 0.556 62.821 62.100 0.274 0.000 1.142 72 T CB 0.198 69.345 68.868 0.464 0.000 0.947 72 T HN 0.427 nan 8.240 nan 0.000 0.544 73 F N 3.562 123.533 119.950 0.034 0.000 2.532 73 F HA 0.555 5.082 4.527 -0.001 0.000 0.321 73 F C -0.168 175.630 175.800 -0.005 0.000 1.089 73 F CA -0.922 57.061 58.000 -0.029 0.000 0.926 73 F CB 1.387 40.319 39.000 -0.113 0.000 1.168 73 F HN 0.411 nan 8.300 nan 0.000 0.459 74 N N 3.439 121.587 118.700 -0.920 0.000 2.242 74 N HA 0.242 4.982 4.740 -0.001 0.000 0.292 74 N C -1.949 173.104 175.510 -0.761 0.000 1.125 74 N CA -0.592 52.124 53.050 -0.557 0.000 0.783 74 N CB 2.500 40.816 38.487 -0.285 0.000 1.558 74 N HN 0.581 nan 8.380 nan 0.000 0.472 75 E N 1.269 121.346 120.200 -0.206 0.000 2.256 75 E HA 0.089 4.438 4.350 -0.001 0.000 0.268 75 E C 0.179 176.879 176.600 0.167 0.000 0.877 75 E CA -0.232 56.132 56.400 -0.060 0.000 0.757 75 E CB 1.686 31.425 29.700 0.065 0.000 1.183 75 E HN 0.709 nan 8.360 nan 0.000 0.418 76 E N 1.359 121.622 120.200 0.105 0.000 2.267 76 E HA -0.175 4.174 4.350 -0.001 0.000 0.197 76 E C 0.981 177.734 176.600 0.255 0.000 0.998 76 E CA 1.749 58.230 56.400 0.134 0.000 0.830 76 E CB -0.129 29.562 29.700 -0.015 0.000 0.751 76 E HN 0.415 nan 8.360 nan 0.000 0.491 77 T N -1.386 113.297 114.554 0.216 0.000 3.069 77 T HA 0.163 4.512 4.350 -0.001 0.000 0.252 77 T C 0.575 175.401 174.700 0.210 0.000 1.053 77 T CA -0.539 61.608 62.100 0.078 0.000 0.964 77 T CB 0.029 68.909 68.868 0.021 0.000 1.005 77 T HN 0.071 nan 8.240 nan 0.000 0.532 78 L N 2.402 123.766 121.223 0.235 0.000 2.415 78 L HA 0.449 4.788 4.340 -0.001 0.000 0.269 78 L C -1.272 175.534 176.870 -0.105 0.000 1.244 78 L CA -0.400 54.446 54.840 0.009 0.000 1.113 78 L CB -0.813 41.153 42.059 -0.155 0.000 1.352 78 L HN 0.371 nan 8.230 nan 0.000 0.433 79 W N 3.115 124.364 121.300 -0.084 0.000 2.600 79 W HA 0.476 5.135 4.660 -0.001 0.000 0.325 79 W C 0.505 177.064 176.519 0.066 0.000 1.034 79 W CA -0.465 56.859 57.345 -0.034 0.000 1.226 79 W CB 1.750 31.134 29.460 -0.126 0.000 1.379 79 W HN 0.482 nan 8.180 nan 0.000 0.466 80 T N 0.912 115.554 114.554 0.147 0.000 2.788 80 T HA 0.809 5.159 4.350 -0.001 0.000 0.280 80 T C 0.659 175.495 174.700 0.227 0.000 0.984 80 T CA 0.493 62.652 62.100 0.098 0.000 0.972 80 T CB 1.130 69.962 68.868 -0.060 0.000 1.039 80 T HN 1.304 nan 8.240 nan 0.000 0.530 81 G N -1.087 107.706 108.800 -0.013 0.000 2.685 81 G HA2 0.430 4.389 3.960 -0.001 0.000 0.387 81 G HA3 0.430 4.389 3.960 -0.001 0.000 0.387 81 G C 0.279 174.805 174.900 -0.623 0.000 1.324 81 G CA -0.019 45.000 45.100 -0.135 0.000 0.878 81 G HN 2.700 nan 8.290 nan 0.000 0.527 82 G N -0.866 107.410 108.800 -0.875 0.000 2.681 82 G HA2 0.267 4.226 3.960 -0.001 0.000 0.220 82 G HA3 0.267 4.226 3.960 -0.001 0.000 0.220 82 G C -2.107 171.937 174.900 -1.426 0.000 1.353 82 G CA 0.535 44.606 45.100 -1.715 0.000 0.872 82 G HN 1.565 nan 8.290 nan 0.000 0.557 83 P HA 0.325 nan 4.420 nan 0.000 0.265 83 P C 1.120 178.259 177.300 -0.268 0.000 1.193 83 P CA 2.032 64.916 63.100 -0.359 0.000 0.765 83 P CB 0.623 32.263 31.700 -0.099 0.000 0.823 84 G N 2.579 111.307 108.800 -0.120 0.000 2.258 84 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.233 84 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.233 84 G C 1.143 175.999 174.900 -0.074 0.000 1.006 84 G CA 0.466 45.516 45.100 -0.084 0.000 0.620 84 G HN 0.633 nan 8.290 nan 0.000 0.511 85 S N -0.230 115.402 115.700 -0.114 0.000 2.522 85 S HA 0.491 4.961 4.470 -0.001 0.000 0.227 85 S C 1.019 175.637 174.600 0.030 0.000 0.986 85 S CA 1.523 59.689 58.200 -0.057 0.000 0.929 85 S CB -0.055 63.087 63.200 -0.098 0.000 0.769 85 S HN 2.214 nan 8.310 nan 0.000 0.529 86 S N -0.187 115.553 115.700 0.066 0.000 2.643 86 S HA 0.459 4.928 4.470 -0.001 0.000 0.270 86 S C 0.446 175.099 174.600 0.089 0.000 1.166 86 S CA -0.063 58.192 58.200 0.092 0.000 0.815 86 S CB 0.743 64.029 63.200 0.143 0.000 1.139 86 S HN 0.316 nan 8.310 nan 0.000 0.472 87 T N -1.487 113.114 114.554 0.078 0.000 3.113 87 T HA 0.162 4.512 4.350 -0.001 0.000 0.256 87 T C 1.143 175.892 174.700 0.081 0.000 1.131 87 T CA 0.873 63.012 62.100 0.065 0.000 1.074 87 T CB -0.568 68.328 68.868 0.046 0.000 0.944 87 T HN 1.170 nan 8.240 nan 0.000 0.516 88 S N -0.591 115.174 115.700 0.109 0.000 2.754 88 S HA 0.278 4.748 4.470 -0.001 0.000 0.247 88 S C -0.098 174.583 174.600 0.135 0.000 1.031 88 S CA -0.955 57.305 58.200 0.100 0.000 1.014 88 S CB -0.875 62.368 63.200 0.072 0.000 0.918 88 S HN 0.463 nan 8.310 nan 0.000 0.519 89 Y N 3.205 123.550 120.300 0.074 0.000 2.802 89 Y HA 0.274 4.824 4.550 -0.001 0.000 0.333 89 Y C 0.549 176.521 175.900 0.120 0.000 1.244 89 Y CA 0.441 58.610 58.100 0.115 0.000 1.558 89 Y CB 0.259 38.778 38.460 0.099 0.000 1.233 89 Y HN 0.398 nan 8.280 nan 0.000 0.547 90 N N 3.836 122.235 118.700 -0.503 0.000 2.598 90 N HA 0.177 4.916 4.740 -0.001 0.000 0.295 90 N C 0.398 175.636 175.510 -0.453 0.000 1.729 90 N CA 0.525 53.381 53.050 -0.323 0.000 0.877 90 N CB 0.119 38.535 38.487 -0.117 0.000 1.405 90 N HN 0.939 nan 8.380 nan 0.000 0.491 91 G N -0.199 108.035 108.800 -0.943 0.000 2.166 91 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.260 91 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.260 91 G C 1.002 175.508 174.900 -0.658 0.000 0.986 91 G CA 0.579 45.419 45.100 -0.434 0.000 0.683 91 G HN 1.392 nan 8.290 nan 0.000 0.527 92 G N -1.450 106.908 108.800 -0.736 0.000 2.176 92 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.253 92 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.253 92 G C 0.167 174.833 174.900 -0.392 0.000 0.979 92 G CA 0.585 45.142 45.100 -0.905 0.000 0.641 92 G HN 1.276 nan 8.290 nan 0.000 0.530 93 N N 1.169 119.729 118.700 -0.233 0.000 2.483 93 N HA 0.341 5.081 4.740 -0.001 0.000 0.264 93 N C -0.179 175.318 175.510 -0.022 0.000 1.197 93 N CA 0.033 53.072 53.050 -0.018 0.000 0.927 93 N CB 0.420 38.898 38.487 -0.016 0.000 1.065 93 N HN 0.214 nan 8.380 nan 0.000 0.461 94 N N 2.128 120.851 118.700 0.038 0.000 2.609 94 N HA 0.063 4.803 4.740 -0.001 0.000 0.234 94 N C 0.227 175.646 175.510 -0.152 0.000 1.001 94 N CA -0.171 52.868 53.050 -0.018 0.000 0.926 94 N CB 0.578 39.104 38.487 0.065 0.000 1.130 94 N HN 0.546 nan 8.380 nan 0.000 0.510 95 E N 0.741 120.860 120.200 -0.134 0.000 2.110 95 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 95 E C 1.293 177.816 176.600 -0.129 0.000 0.988 95 E CA 1.780 58.086 56.400 -0.157 0.000 0.804 95 E CB 0.088 29.729 29.700 -0.099 0.000 0.745 95 E HN 0.740 nan 8.360 nan 0.000 0.458 96 T N -0.494 114.013 114.554 -0.078 0.000 2.915 96 T HA -0.077 4.273 4.350 -0.001 0.000 0.269 96 T C 1.785 176.450 174.700 -0.060 0.000 1.071 96 T CA 0.852 62.918 62.100 -0.057 0.000 1.132 96 T CB -0.022 68.828 68.868 -0.030 0.000 0.878 96 T HN 0.017 nan 8.240 nan 0.000 0.479 97 K N 0.811 121.175 120.400 -0.059 0.000 2.062 97 K HA 0.137 4.457 4.320 -0.001 0.000 0.205 97 K C 2.709 179.267 176.600 -0.070 0.000 1.051 97 K CA 1.084 57.353 56.287 -0.029 0.000 0.941 97 K CB -0.476 32.056 32.500 0.054 0.000 0.719 97 K HN 0.473 nan 8.250 nan 0.000 0.440 98 G N 0.214 108.873 108.800 -0.234 0.000 2.408 98 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.215 98 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.215 98 G C 0.182 174.976 174.900 -0.177 0.000 1.156 98 G CA 0.003 44.890 45.100 -0.355 0.000 0.793 98 G HN 0.220 nan 8.290 nan 0.000 0.535 99 Q N 0.220 119.927 119.800 -0.154 0.000 2.435 99 Q HA -0.183 4.157 4.340 -0.001 0.000 0.312 99 Q C 0.050 176.006 176.000 -0.074 0.000 1.333 99 Q CA 0.927 56.675 55.803 -0.092 0.000 0.883 99 Q CB -2.012 26.690 28.738 -0.059 0.000 1.170 99 Q HN 0.651 nan 8.270 nan 0.000 0.443 100 N N -1.327 117.314 118.700 -0.100 0.000 2.716 100 N HA -0.274 4.465 4.740 -0.001 0.000 0.250 100 N C 0.894 176.394 175.510 -0.016 0.000 1.033 100 N CA 2.363 55.376 53.050 -0.061 0.000 0.727 100 N CB -1.345 37.117 38.487 -0.041 0.000 0.950 100 N HN 0.912 nan 8.380 nan 0.000 0.541 101 G N -2.222 106.577 108.800 -0.002 0.000 2.194 101 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.236 101 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.236 101 G C 1.066 175.987 174.900 0.036 0.000 0.987 101 G CA 0.912 46.046 45.100 0.056 0.000 0.635 101 G HN 0.954 nan 8.290 nan 0.000 0.520 102 A N -0.099 122.723 122.820 0.004 0.000 1.930 102 A HA 0.227 4.547 4.320 -0.001 0.000 0.217 102 A C 2.408 179.985 177.584 -0.012 0.000 1.175 102 A CA 2.764 54.798 52.037 -0.005 0.000 0.627 102 A CB -0.771 18.219 19.000 -0.016 0.000 0.815 102 A HN 0.735 nan 8.150 nan 0.000 0.443 103 T N 0.191 114.734 114.554 -0.018 0.000 2.708 103 T HA -0.141 4.209 4.350 -0.001 0.000 0.266 103 T C 1.857 176.529 174.700 -0.046 0.000 1.037 103 T CA 1.583 63.662 62.100 -0.036 0.000 1.146 103 T CB -0.390 68.456 68.868 -0.036 0.000 0.865 103 T HN 0.316 nan 8.240 nan 0.000 0.435 104 L N 1.369 122.583 121.223 -0.015 0.000 2.046 104 L HA 0.018 4.358 4.340 -0.001 0.000 0.208 104 L C 2.536 179.390 176.870 -0.027 0.000 1.077 104 L CA 1.761 56.584 54.840 -0.029 0.000 0.747 104 L CB -0.542 41.561 42.059 0.073 0.000 0.896 104 L HN 0.084 nan 8.230 nan 0.000 0.432 105 R N -0.543 119.956 120.500 -0.001 0.000 2.083 105 R HA -0.195 4.145 4.340 -0.001 0.000 0.237 105 R C 2.130 178.425 176.300 -0.007 0.000 1.137 105 R CA 1.625 57.725 56.100 -0.000 0.000 0.951 105 R CB -0.436 29.869 30.300 0.009 0.000 0.851 105 R HN 0.509 nan 8.270 nan 0.000 0.434 106 A N 0.831 123.640 122.820 -0.019 0.000 1.898 106 A HA -0.079 4.241 4.320 -0.001 0.000 0.216 106 A C 2.201 179.767 177.584 -0.030 0.000 1.181 106 A CA 1.083 53.107 52.037 -0.021 0.000 0.620 106 A CB -0.431 18.551 19.000 -0.030 0.000 0.819 106 A HN 0.347 nan 8.150 nan 0.000 0.442 107 L N -0.546 120.643 121.223 -0.057 0.000 2.056 107 L HA -0.208 4.131 4.340 -0.001 0.000 0.207 107 L C 2.306 179.150 176.870 -0.043 0.000 1.078 107 L CA 1.695 56.489 54.840 -0.077 0.000 0.749 107 L CB -0.698 41.276 42.059 -0.142 0.000 0.901 107 L HN 0.484 nan 8.230 nan 0.000 0.433 108 N N -0.182 118.490 118.700 -0.046 0.000 2.223 108 N HA -0.230 4.510 4.740 -0.001 0.000 0.185 108 N C 1.830 177.408 175.510 0.113 0.000 1.016 108 N CA 0.890 53.922 53.050 -0.029 0.000 0.863 108 N CB -0.018 38.367 38.487 -0.170 0.000 0.983 108 N HN 0.262 nan 8.380 nan 0.000 0.429 109 K N 1.395 121.839 120.400 0.073 0.000 2.057 109 K HA -0.177 4.143 4.320 -0.001 0.000 0.207 109 K C 1.888 178.526 176.600 0.063 0.000 1.049 109 K CA 1.252 57.586 56.287 0.078 0.000 0.931 109 K CB 0.103 32.628 32.500 0.042 0.000 0.714 109 K HN 0.250 nan 8.250 nan 0.000 0.440 110 Q N 0.370 120.191 119.800 0.036 0.000 2.084 110 Q HA -0.158 4.181 4.340 -0.001 0.000 0.202 110 Q C 2.248 178.276 176.000 0.045 0.000 0.978 110 Q CA 1.520 57.337 55.803 0.023 0.000 0.844 110 Q CB -0.102 28.634 28.738 -0.004 0.000 0.898 110 Q HN 0.346 nan 8.270 nan 0.000 0.426 111 L N 0.088 121.359 121.223 0.079 0.000 2.046 111 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 111 L C 2.522 179.466 176.870 0.123 0.000 1.077 111 L CA 0.979 55.892 54.840 0.121 0.000 0.747 111 L CB -0.616 41.551 42.059 0.179 0.000 0.896 111 L HN 0.192 nan 8.230 nan 0.000 0.432 112 A N -0.022 122.886 122.820 0.148 0.000 2.019 112 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 112 A C 1.750 179.346 177.584 0.020 0.000 1.164 112 A CA 1.727 53.788 52.037 0.041 0.000 0.644 112 A CB -0.439 18.586 19.000 0.041 0.000 0.805 112 A HN 0.452 nan 8.150 nan 0.000 0.449 113 N N -1.350 117.371 118.700 0.035 0.000 2.270 113 N HA 0.256 4.995 4.740 -0.001 0.000 0.198 113 N C 0.956 176.476 175.510 0.017 0.000 1.117 113 N CA 1.015 54.077 53.050 0.020 0.000 0.845 113 N CB 0.880 39.378 38.487 0.018 0.000 0.980 113 N HN 0.602 nan 8.380 nan 0.000 0.486 114 G N -0.908 107.907 108.800 0.025 0.000 2.318 114 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.172 114 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.172 114 G C 0.207 175.119 174.900 0.020 0.000 1.002 114 G CA -0.122 44.991 45.100 0.021 0.000 0.697 114 G HN 0.496 nan 8.290 nan 0.000 0.483 115 A N 0.467 123.301 122.820 0.024 0.000 2.498 115 A HA 0.612 4.932 4.320 -0.001 0.000 0.239 115 A C 1.047 178.654 177.584 0.039 0.000 1.068 115 A CA 1.326 53.373 52.037 0.016 0.000 0.766 115 A CB 0.515 19.520 19.000 0.008 0.000 1.003 115 A HN 0.516 nan 8.150 nan 0.000 0.497 116 E N 0.323 120.529 120.200 0.010 0.000 2.251 116 E HA 0.040 4.389 4.350 -0.001 0.000 0.194 116 E C 0.383 177.020 176.600 0.061 0.000 0.964 116 E CA 1.156 57.573 56.400 0.029 0.000 0.868 116 E CB 0.284 29.916 29.700 -0.113 0.000 0.828 116 E HN 0.860 nan 8.360 nan 0.000 0.481 117 T N -1.412 113.145 114.554 0.005 0.000 2.883 117 T HA 0.573 4.923 4.350 -0.001 0.000 0.301 117 T C -0.410 174.269 174.700 -0.035 0.000 1.158 117 T CA -0.629 61.475 62.100 0.007 0.000 1.007 117 T CB 1.813 70.669 68.868 -0.019 0.000 1.186 117 T HN 0.019 nan 8.240 nan 0.000 0.499 118 V N -0.816 119.055 119.914 -0.072 0.000 3.102 118 V HA 0.754 4.874 4.120 -0.001 0.000 0.312 118 V C -0.640 175.345 176.094 -0.182 0.000 1.135 118 V CA -1.233 60.998 62.300 -0.116 0.000 1.022 118 V CB 1.942 33.691 31.823 -0.123 0.000 1.056 118 V HN 1.015 nan 8.190 nan 0.000 0.436 119 N N 3.346 121.936 118.700 -0.182 0.000 2.406 119 N HA 0.432 5.172 4.740 -0.001 0.000 0.251 119 N C -1.947 173.374 175.510 -0.315 0.000 1.069 119 N CA -1.869 51.053 53.050 -0.214 0.000 0.947 119 N CB 1.268 39.668 38.487 -0.146 0.000 1.111 119 N HN 0.715 nan 8.380 nan 0.000 0.497 120 P HA 0.249 nan 4.420 nan 0.000 0.266 120 P C 0.974 177.950 177.300 -0.539 0.000 1.561 120 P CA -0.198 62.444 63.100 -0.763 0.000 1.089 120 P CB 0.127 30.781 31.700 -1.742 0.000 1.534 121 G N 1.374 109.992 108.800 -0.304 0.000 2.448 121 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.219 121 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.219 121 G C 1.366 176.203 174.900 -0.106 0.000 1.127 121 G CA 0.370 45.372 45.100 -0.164 0.000 0.766 121 G HN 0.240 nan 8.290 nan 0.000 0.552 122 N N 0.208 118.836 118.700 -0.120 0.000 2.494 122 N HA 0.050 4.790 4.740 -0.001 0.000 0.182 122 N C 1.032 176.539 175.510 -0.005 0.000 1.076 122 N CA 0.137 53.154 53.050 -0.054 0.000 0.908 122 N CB 0.025 38.477 38.487 -0.058 0.000 0.967 122 N HN 0.267 nan 8.380 nan 0.000 0.449 123 L N 1.835 122.997 121.223 -0.100 0.000 2.533 123 L HA 0.135 4.474 4.340 -0.001 0.000 0.239 123 L C 0.309 177.205 176.870 0.044 0.000 1.376 123 L CA -0.061 54.711 54.840 -0.115 0.000 1.240 123 L CB -0.982 40.712 42.059 -0.609 0.000 1.487 123 L HN 0.057 nan 8.230 nan 0.000 0.419 124 T N -3.153 111.458 114.554 0.094 0.000 2.778 124 T HA 0.919 5.268 4.350 -0.001 0.000 0.293 124 T C -0.089 174.660 174.700 0.082 0.000 1.144 124 T CA -0.316 61.795 62.100 0.018 0.000 1.010 124 T CB 2.802 71.664 68.868 -0.010 0.000 1.325 124 T HN 0.265 nan 8.240 nan 0.000 0.515 125 G N -1.719 107.090 108.800 0.014 0.000 2.428 125 G HA2 0.553 4.512 3.960 -0.001 0.000 0.305 125 G HA3 0.553 4.512 3.960 -0.001 0.000 0.305 125 G C 0.359 175.279 174.900 0.033 0.000 1.260 125 G CA 0.110 45.238 45.100 0.046 0.000 0.853 125 G HN 2.044 nan 8.290 nan 0.000 0.480 126 G N -0.665 108.115 108.800 -0.034 0.000 2.323 126 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.292 126 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.292 126 G C 0.595 175.796 174.900 0.502 0.000 1.040 126 G CA 1.344 46.568 45.100 0.207 0.000 0.942 126 G HN 0.829 nan 8.290 nan 0.000 0.506 127 E N -0.315 120.082 120.200 0.328 0.000 2.299 127 E HA 0.022 4.371 4.350 -0.001 0.000 0.193 127 E C 1.250 178.030 176.600 0.299 0.000 0.998 127 E CA 0.392 56.962 56.400 0.283 0.000 0.851 127 E CB 0.212 30.019 29.700 0.179 0.000 0.795 127 E HN 0.461 nan 8.360 nan 0.000 0.492 128 N N 0.530 119.444 118.700 0.356 0.000 2.439 128 N HA 0.179 4.918 4.740 -0.001 0.000 0.249 128 N C 0.204 175.869 175.510 0.258 0.000 1.003 128 N CA 0.018 53.234 53.050 0.277 0.000 0.942 128 N CB 1.308 39.954 38.487 0.265 0.000 1.115 128 N HN 0.032 nan 8.380 nan 0.000 0.505 129 A N 3.567 126.497 122.820 0.183 0.000 2.067 129 A HA 0.030 4.349 4.320 -0.001 0.000 0.219 129 A C 1.924 179.519 177.584 0.017 0.000 1.158 129 A CA 1.474 53.578 52.037 0.111 0.000 0.661 129 A CB -0.355 18.724 19.000 0.132 0.000 0.801 129 A HN 0.716 nan 8.150 nan 0.000 0.452 130 A N -0.125 122.724 122.820 0.048 0.000 1.929 130 A HA -0.083 4.236 4.320 -0.001 0.000 0.216 130 A C 1.904 179.492 177.584 0.007 0.000 1.176 130 A CA 1.355 53.403 52.037 0.019 0.000 0.628 130 A CB -0.330 18.695 19.000 0.040 0.000 0.816 130 A HN 0.598 nan 8.150 nan 0.000 0.444 131 E N -0.698 119.553 120.200 0.084 0.000 2.072 131 E HA -0.216 4.134 4.350 -0.001 0.000 0.190 131 E C 2.225 178.746 176.600 -0.132 0.000 0.982 131 E CA 1.177 57.689 56.400 0.187 0.000 0.803 131 E CB -0.141 29.898 29.700 0.564 0.000 0.755 131 E HN 0.793 nan 8.360 nan 0.000 0.453 132 Q N 0.369 119.803 119.800 -0.611 0.000 2.020 132 Q HA -0.097 4.243 4.340 -0.001 0.000 0.202 132 Q C 0.974 176.703 176.000 -0.452 0.000 0.982 132 Q CA 1.421 56.462 55.803 -1.271 0.000 0.838 132 Q CB -0.072 28.026 28.738 -1.067 0.000 0.899 132 Q HN 0.242 nan 8.270 nan 0.000 0.423 133 G N 1.022 109.691 108.800 -0.220 0.000 2.645 133 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.239 133 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.239 133 G C -0.737 174.140 174.900 -0.038 0.000 1.331 133 G CA -0.066 45.004 45.100 -0.050 0.000 0.890 133 G HN 0.859 nan 8.290 nan 0.000 0.572 134 N N -2.681 115.981 118.700 -0.064 0.000 3.348 134 N HA 0.419 5.158 4.740 -0.001 0.000 0.233 134 N C -1.248 173.636 175.510 -1.042 0.000 1.440 134 N CA -0.638 52.125 53.050 -0.480 0.000 0.887 134 N CB 0.563 38.826 38.487 -0.374 0.000 1.410 134 N HN 1.173 nan 8.380 nan 0.000 0.502 135 Y N 0.834 120.096 120.300 -1.730 0.000 2.359 135 Y HA 0.531 5.081 4.550 -0.001 0.000 0.330 135 Y C -0.395 175.019 175.900 -0.811 0.000 1.143 135 Y CA -0.368 56.785 58.100 -1.579 0.000 1.318 135 Y CB 0.436 38.107 38.460 -1.316 0.000 1.234 135 Y HN 0.491 nan 8.280 nan 0.000 0.522 136 L N 6.638 127.178 121.223 -1.138 0.000 2.329 136 L HA 0.298 4.637 4.340 -0.001 0.000 0.279 136 L C 0.251 176.568 176.870 -0.922 0.000 1.014 136 L CA -0.869 53.444 54.840 -0.879 0.000 0.814 136 L CB 1.332 42.847 42.059 -0.906 0.000 1.257 136 L HN 0.683 nan 8.230 nan 0.000 0.424 137 N N 2.194 120.549 118.700 -0.576 0.000 2.411 137 N HA -0.135 4.604 4.740 -0.001 0.000 0.265 137 N C 0.657 176.088 175.510 -0.133 0.000 1.266 137 N CA 0.038 52.878 53.050 -0.350 0.000 0.889 137 N CB 0.788 39.119 38.487 -0.259 0.000 1.069 137 N HN 0.730 nan 8.380 nan 0.000 0.476 138 W N 5.151 126.315 121.300 -0.226 0.000 2.354 138 W HA -0.026 4.634 4.660 -0.001 0.000 0.315 138 W C 0.549 177.131 176.519 0.104 0.000 1.206 138 W CA 2.145 59.468 57.345 -0.036 0.000 1.290 138 W CB -0.417 29.111 29.460 0.114 0.000 1.152 138 W HN 0.717 nan 8.180 nan 0.000 0.489 139 G N -0.474 108.606 108.800 0.467 0.000 2.452 139 G HA2 0.200 4.160 3.960 -0.001 0.000 0.224 139 G HA3 0.200 4.160 3.960 -0.001 0.000 0.224 139 G C -2.072 172.956 174.900 0.213 0.000 1.208 139 G CA -0.526 44.752 45.100 0.296 0.000 0.946 139 G HN 0.056 nan 8.290 nan 0.000 0.481 140 D N -0.831 119.644 120.400 0.125 0.000 2.661 140 D HA 0.609 5.249 4.640 -0.001 0.000 0.228 140 D C -0.747 175.500 176.300 -0.089 0.000 1.183 140 D CA -0.422 53.549 54.000 -0.048 0.000 0.844 140 D CB 2.619 43.208 40.800 -0.351 0.000 1.555 140 D HN 0.443 nan 8.370 nan 0.000 0.453 141 I N 1.842 122.319 120.570 -0.155 0.000 2.336 141 I HA 0.300 4.470 4.170 -0.001 0.000 0.292 141 I C -0.939 175.039 176.117 -0.232 0.000 0.991 141 I CA -0.580 60.650 61.300 -0.116 0.000 1.227 141 I CB 0.577 38.539 38.000 -0.062 0.000 1.366 141 I HN 0.232 nan 8.210 nan 0.000 0.466 142 Y N 6.353 126.654 120.300 0.001 0.000 2.341 142 Y HA 0.552 5.102 4.550 -0.001 0.000 0.337 142 Y C -0.253 175.669 175.900 0.036 0.000 1.014 142 Y CA -0.633 57.464 58.100 -0.005 0.000 1.111 142 Y CB 1.545 39.985 38.460 -0.032 0.000 1.194 142 Y HN 0.328 nan 8.280 nan 0.000 0.462 143 L N 4.224 125.573 121.223 0.210 0.000 2.384 143 L HA 0.310 4.649 4.340 -0.001 0.000 0.261 143 L C -0.833 176.181 176.870 0.239 0.000 1.024 143 L CA -0.456 54.484 54.840 0.167 0.000 0.899 143 L CB 0.840 42.928 42.059 0.048 0.000 1.243 143 L HN 0.560 nan 8.230 nan 0.000 0.449 144 D N 1.571 122.088 120.400 0.195 0.000 2.396 144 D HA 0.116 4.756 4.640 -0.001 0.000 0.225 144 D C 0.426 176.771 176.300 0.076 0.000 1.121 144 D CA -0.148 53.927 54.000 0.126 0.000 0.853 144 D CB 0.894 41.715 40.800 0.035 0.000 1.043 144 D HN 0.352 nan 8.370 nan 0.000 0.500 145 Y N 1.660 121.797 120.300 -0.271 0.000 2.546 145 Y HA 0.100 4.650 4.550 -0.001 0.000 0.287 145 Y C 2.088 177.648 175.900 -0.567 0.000 1.158 145 Y CA 0.168 57.954 58.100 -0.523 0.000 1.307 145 Y CB 0.516 38.264 38.460 -1.187 0.000 1.036 145 Y HN 0.680 nan 8.280 nan 0.000 0.532 146 G N 0.504 109.176 108.800 -0.213 0.000 2.225 146 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.267 146 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.267 146 G C -0.186 174.704 174.900 -0.017 0.000 1.024 146 G CA -0.247 44.791 45.100 -0.102 0.000 0.784 146 G HN 0.156 nan 8.290 nan 0.000 0.507 147 F N 0.211 120.176 119.950 0.024 0.000 2.518 147 F HA 0.225 4.752 4.527 -0.001 0.000 0.359 147 F C 1.656 177.476 175.800 0.033 0.000 1.118 147 F CA -0.194 57.810 58.000 0.007 0.000 1.287 147 F CB 0.221 39.097 39.000 -0.207 0.000 1.132 147 F HN 0.118 nan 8.300 nan 0.000 0.587 148 N N 0.429 119.308 118.700 0.299 0.000 2.309 148 N HA -0.098 4.642 4.740 -0.001 0.000 0.182 148 N C -0.430 175.166 175.510 0.143 0.000 1.018 148 N CA 1.169 54.323 53.050 0.174 0.000 0.876 148 N CB -0.005 38.569 38.487 0.146 0.000 0.972 148 N HN 0.656 nan 8.380 nan 0.000 0.434 149 D N -1.971 118.542 120.400 0.189 0.000 2.599 149 D HA 0.033 4.673 4.640 -0.001 0.000 0.252 149 D C -0.482 175.891 176.300 0.120 0.000 1.232 149 D CA -0.475 53.601 54.000 0.126 0.000 0.819 149 D CB 1.189 42.043 40.800 0.091 0.000 1.401 149 D HN -0.023 nan 8.370 nan 0.000 0.429 150 T N -2.656 111.918 114.554 0.034 0.000 3.186 150 T HA 0.142 4.491 4.350 -0.001 0.000 0.257 150 T C 0.475 175.155 174.700 -0.034 0.000 1.029 150 T CA -0.185 61.883 62.100 -0.052 0.000 0.916 150 T CB -0.702 68.114 68.868 -0.086 0.000 1.041 150 T HN 0.365 nan 8.240 nan 0.000 0.562 151 T N 3.695 118.277 114.554 0.048 0.000 2.829 151 T HA 0.405 4.755 4.350 -0.001 0.000 0.293 151 T C 0.355 175.105 174.700 0.084 0.000 0.970 151 T CA -0.263 61.860 62.100 0.038 0.000 1.168 151 T CB 0.281 69.159 68.868 0.017 0.000 0.911 151 T HN 0.539 nan 8.240 nan 0.000 0.535 152 V N 1.068 121.009 119.914 0.045 0.000 3.102 152 V HA 0.965 5.085 4.120 -0.001 0.000 0.312 152 V C -0.062 176.095 176.094 0.105 0.000 1.135 152 V CA -1.201 61.163 62.300 0.105 0.000 1.022 152 V CB 2.143 34.030 31.823 0.107 0.000 1.056 152 V HN 0.862 nan 8.190 nan 0.000 0.436 153 T N -1.736 112.906 114.554 0.146 0.000 2.924 153 T HA 0.698 5.048 4.350 -0.001 0.000 0.291 153 T C -0.112 174.704 174.700 0.194 0.000 1.045 153 T CA 0.141 62.323 62.100 0.136 0.000 1.015 153 T CB 1.544 70.467 68.868 0.091 0.000 1.103 153 T HN 1.251 nan 8.240 nan 0.000 0.496 154 E N -1.271 119.034 120.200 0.175 0.000 2.637 154 E HA -0.237 4.112 4.350 -0.001 0.000 0.265 154 E C -1.000 175.734 176.600 0.222 0.000 1.073 154 E CA 0.209 56.712 56.400 0.170 0.000 0.778 154 E CB -2.033 27.738 29.700 0.117 0.000 1.362 154 E HN 0.711 nan 8.360 nan 0.000 0.413 155 Y N 1.412 121.813 120.300 0.168 0.000 2.544 155 Y HA 0.205 4.755 4.550 -0.001 0.000 0.330 155 Y C 0.484 176.494 175.900 0.183 0.000 1.136 155 Y CA 0.398 58.616 58.100 0.197 0.000 1.417 155 Y CB 0.554 39.091 38.460 0.129 0.000 1.229 155 Y HN 0.103 nan 8.280 nan 0.000 0.532 156 R N 6.194 126.532 120.500 -0.271 0.000 2.604 156 R HA 0.487 4.827 4.340 -0.001 0.000 0.281 156 R C -1.562 174.559 176.300 -0.298 0.000 1.020 156 R CA -0.999 55.071 56.100 -0.051 0.000 0.899 156 R CB 1.279 31.618 30.300 0.065 0.000 1.205 156 R HN 0.888 nan 8.270 nan 0.000 0.450 157 R N 1.280 121.798 120.500 0.031 0.000 2.750 157 R HA 0.589 4.929 4.340 -0.001 0.000 0.281 157 R C -1.629 174.713 176.300 0.070 0.000 0.972 157 R CA -0.842 55.267 56.100 0.016 0.000 0.912 157 R CB 2.014 32.409 30.300 0.158 0.000 1.187 157 R HN 0.701 nan 8.270 nan 0.000 0.464 158 D N 0.996 121.320 120.400 -0.126 0.000 2.583 158 D HA 0.364 5.004 4.640 -0.001 0.000 0.248 158 D C -1.547 174.593 176.300 -0.267 0.000 1.209 158 D CA -0.891 52.976 54.000 -0.221 0.000 0.848 158 D CB 1.514 41.861 40.800 -0.755 0.000 1.431 158 D HN 0.387 nan 8.370 nan 0.000 0.436 159 L N 1.374 122.445 121.223 -0.254 0.000 2.316 159 L HA 0.480 4.820 4.340 -0.001 0.000 0.280 159 L C -1.070 175.592 176.870 -0.345 0.000 1.006 159 L CA -0.552 54.125 54.840 -0.271 0.000 0.836 159 L CB 1.191 43.103 42.059 -0.246 0.000 1.221 159 L HN 0.569 nan 8.230 nan 0.000 0.418 160 N N 5.212 123.695 118.700 -0.360 0.000 2.482 160 N HA 0.152 4.892 4.740 -0.001 0.000 0.242 160 N C 0.875 176.291 175.510 -0.156 0.000 1.100 160 N CA -0.012 52.906 53.050 -0.221 0.000 0.946 160 N CB 0.532 38.902 38.487 -0.194 0.000 1.227 160 N HN 0.772 nan 8.380 nan 0.000 0.508 161 L N 1.511 122.626 121.223 -0.180 0.000 2.131 161 L HA -0.131 4.209 4.340 -0.001 0.000 0.210 161 L C 1.924 178.491 176.870 -0.504 0.000 1.092 161 L CA 0.776 55.434 54.840 -0.303 0.000 0.759 161 L CB -0.320 41.632 42.059 -0.178 0.000 0.903 161 L HN 0.416 nan 8.230 nan 0.000 0.435 162 S N -0.161 115.339 115.700 -0.332 0.000 2.387 162 S HA -0.113 4.357 4.470 -0.001 0.000 0.226 162 S C 1.835 176.428 174.600 -0.011 0.000 1.026 162 S CA 1.172 59.228 58.200 -0.240 0.000 0.972 162 S CB -0.021 63.244 63.200 0.107 0.000 0.814 162 S HN 0.390 nan 8.310 nan 0.000 0.477 163 K N 0.166 120.533 120.400 -0.056 0.000 2.353 163 K HA 0.243 4.562 4.320 -0.001 0.000 0.195 163 K C 0.802 177.213 176.600 -0.315 0.000 1.031 163 K CA 0.348 56.578 56.287 -0.096 0.000 1.079 163 K CB 0.509 32.983 32.500 -0.043 0.000 0.857 163 K HN 0.365 nan 8.250 nan 0.000 0.535 164 G N 3.236 111.734 108.800 -0.503 0.000 2.272 164 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.280 164 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.280 164 G C -0.426 174.525 174.900 0.085 0.000 1.067 164 G CA 0.866 45.660 45.100 -0.511 0.000 0.902 164 G HN 0.388 nan 8.290 nan 0.000 0.500 165 K N -1.590 118.824 120.400 0.024 0.000 2.532 165 K HA 0.860 5.180 4.320 -0.001 0.000 0.265 165 K C -0.466 176.078 176.600 -0.093 0.000 0.948 165 K CA -0.601 55.684 56.287 -0.002 0.000 0.842 165 K CB 1.869 34.383 32.500 0.024 0.000 1.392 165 K HN 1.094 nan 8.250 nan 0.000 0.436 166 A N 2.004 124.740 122.820 -0.141 0.000 2.317 166 A HA 0.518 4.838 4.320 -0.001 0.000 0.327 166 A C -1.133 176.399 177.584 -0.088 0.000 1.178 166 A CA -0.691 51.284 52.037 -0.102 0.000 0.817 166 A CB 0.645 19.631 19.000 -0.022 0.000 1.189 166 A HN 0.785 nan 8.150 nan 0.000 0.489 167 D N 0.717 121.016 120.400 -0.168 0.000 2.433 167 D HA 0.579 5.218 4.640 -0.001 0.000 0.236 167 D C -1.117 175.094 176.300 -0.149 0.000 1.026 167 D CA -0.174 53.706 54.000 -0.199 0.000 0.884 167 D CB 2.272 42.876 40.800 -0.326 0.000 1.384 167 D HN 0.228 nan 8.370 nan 0.000 0.477 168 V N 0.489 120.314 119.914 -0.149 0.000 2.686 168 V HA 0.579 4.699 4.120 -0.001 0.000 0.306 168 V C -0.169 175.795 176.094 -0.215 0.000 1.065 168 V CA -0.533 61.680 62.300 -0.145 0.000 0.894 168 V CB 2.103 33.940 31.823 0.022 0.000 1.004 168 V HN 0.652 nan 8.190 nan 0.000 0.424 169 T N 4.343 118.729 114.554 -0.280 0.000 2.900 169 T HA 0.911 5.261 4.350 -0.001 0.000 0.303 169 T C -1.593 173.007 174.700 -0.167 0.000 1.142 169 T CA -0.377 61.562 62.100 -0.267 0.000 1.007 169 T CB 1.453 70.207 68.868 -0.190 0.000 1.156 169 T HN 1.076 nan 8.240 nan 0.000 0.490 170 F N 0.213 120.124 119.950 -0.065 0.000 2.770 170 F HA 0.661 5.188 4.527 -0.001 0.000 0.313 170 F C -1.497 174.380 175.800 0.128 0.000 1.154 170 F CA -1.288 56.734 58.000 0.036 0.000 0.923 170 F CB 1.292 40.368 39.000 0.127 0.000 1.301 170 F HN 0.589 nan 8.300 nan 0.000 0.449 171 K N 1.795 122.433 120.400 0.397 0.000 2.265 171 K HA 0.327 4.646 4.320 -0.001 0.000 0.267 171 K C -1.714 175.127 176.600 0.402 0.000 0.994 171 K CA -0.534 55.926 56.287 0.288 0.000 0.860 171 K CB 0.734 33.316 32.500 0.137 0.000 1.099 171 K HN 0.919 nan 8.250 nan 0.000 0.448 172 H N 4.229 123.486 119.070 0.312 0.000 2.609 172 H HA 0.116 4.671 4.556 -0.001 0.000 0.344 172 H C -0.904 174.471 175.328 0.077 0.000 1.040 172 H CA -0.288 55.842 56.048 0.137 0.000 1.216 172 H CB 1.162 30.910 29.762 -0.022 0.000 1.529 172 H HN 0.797 nan 8.280 nan 0.000 0.519 173 D N 4.096 124.225 120.400 -0.451 0.000 2.692 173 D HA -0.178 4.461 4.640 -0.001 0.000 0.233 173 D C 1.260 177.506 176.300 -0.090 0.000 1.172 173 D CA 1.761 55.584 54.000 -0.294 0.000 0.636 173 D CB -1.393 39.181 40.800 -0.378 0.000 1.028 173 D HN 1.072 nan 8.370 nan 0.000 0.419 174 G N -2.341 106.435 108.800 -0.041 0.000 2.189 174 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.267 174 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.267 174 G C 0.378 175.266 174.900 -0.021 0.000 0.975 174 G CA 0.392 45.482 45.100 -0.018 0.000 0.644 174 G HN 0.639 nan 8.290 nan 0.000 0.537 175 V N 1.221 121.131 119.914 -0.007 0.000 2.459 175 V HA 0.587 4.707 4.120 -0.001 0.000 0.295 175 V C 0.593 176.573 176.094 -0.191 0.000 1.029 175 V CA -0.241 61.978 62.300 -0.136 0.000 0.874 175 V CB 1.819 33.515 31.823 -0.212 0.000 0.985 175 V HN 0.244 nan 8.190 nan 0.000 0.438 176 T N 5.215 119.614 114.554 -0.258 0.000 2.794 176 T HA 0.473 4.822 4.350 -0.001 0.000 0.296 176 T C -0.780 173.629 174.700 -0.485 0.000 0.949 176 T CA 0.254 62.203 62.100 -0.250 0.000 1.101 176 T CB -0.023 68.747 68.868 -0.164 0.000 0.905 176 T HN 0.427 nan 8.240 nan 0.000 0.516 177 Y N 1.902 121.961 120.300 -0.402 0.000 2.352 177 Y HA 0.514 5.064 4.550 -0.001 0.000 0.339 177 Y C 1.032 176.592 175.900 -0.567 0.000 0.992 177 Y CA -0.944 56.870 58.100 -0.476 0.000 1.100 177 Y CB 1.669 39.708 38.460 -0.703 0.000 1.192 177 Y HN 0.655 nan 8.280 nan 0.000 0.458 178 T N 1.431 115.860 114.554 -0.208 0.000 2.908 178 T HA 0.815 5.164 4.350 -0.001 0.000 0.290 178 T C -0.712 173.867 174.700 -0.203 0.000 1.034 178 T CA -1.163 60.803 62.100 -0.223 0.000 1.010 178 T CB 1.802 70.563 68.868 -0.178 0.000 1.068 178 T HN 0.654 nan 8.240 nan 0.000 0.481 179 R N 1.121 121.471 120.500 -0.249 0.000 2.673 179 R HA 0.594 4.934 4.340 -0.001 0.000 0.281 179 R C -1.187 174.838 176.300 -0.459 0.000 0.991 179 R CA -0.844 55.022 56.100 -0.392 0.000 0.896 179 R CB 2.569 32.645 30.300 -0.374 0.000 1.201 179 R HN 0.876 nan 8.270 nan 0.000 0.457 180 E N 2.673 122.521 120.200 -0.587 0.000 2.272 180 E HA 0.385 4.735 4.350 -0.001 0.000 0.269 180 E C -1.598 174.650 176.600 -0.586 0.000 0.877 180 E CA -0.626 55.525 56.400 -0.415 0.000 0.755 180 E CB 1.534 31.158 29.700 -0.128 0.000 1.192 180 E HN 0.487 nan 8.360 nan 0.000 0.422 181 Y N 3.259 123.412 120.300 -0.245 0.000 2.442 181 Y HA 0.556 5.106 4.550 -0.001 0.000 0.344 181 Y C -0.460 175.056 175.900 -0.639 0.000 0.976 181 Y CA -0.891 56.907 58.100 -0.502 0.000 1.040 181 Y CB 1.435 39.495 38.460 -0.667 0.000 1.228 181 Y HN 0.456 nan 8.280 nan 0.000 0.451 182 F N -0.464 119.214 119.950 -0.453 0.000 2.686 182 F HA 0.964 5.491 4.527 -0.001 0.000 0.311 182 F C -1.462 174.320 175.800 -0.030 0.000 1.128 182 F CA -1.895 55.846 58.000 -0.432 0.000 0.946 182 F CB 1.355 40.052 39.000 -0.505 0.000 1.336 182 F HN 0.506 nan 8.300 nan 0.000 0.457 183 A N 1.702 124.747 122.820 0.375 0.000 2.363 183 A HA 0.607 4.927 4.320 -0.001 0.000 0.296 183 A C -0.560 177.203 177.584 0.298 0.000 1.237 183 A CA -0.560 51.688 52.037 0.351 0.000 0.773 183 A CB 0.610 19.868 19.000 0.430 0.000 1.153 183 A HN 0.979 nan 8.150 nan 0.000 0.473 184 S N 1.848 117.736 115.700 0.313 0.000 2.510 184 S HA 0.042 4.512 4.470 -0.001 0.000 0.279 184 S C 1.215 176.008 174.600 0.321 0.000 1.284 184 S CA -0.282 58.167 58.200 0.415 0.000 1.059 184 S CB 0.185 63.635 63.200 0.416 0.000 0.901 184 S HN 0.785 nan 8.310 nan 0.000 0.491 185 N N 5.131 124.027 118.700 0.327 0.000 2.109 185 N HA 0.020 4.760 4.740 -0.001 0.000 0.188 185 N C -1.130 174.486 175.510 0.177 0.000 1.034 185 N CA 1.129 54.310 53.050 0.218 0.000 0.846 185 N CB -0.968 37.633 38.487 0.189 0.000 1.010 185 N HN 0.480 nan 8.380 nan 0.000 0.425 186 P HA -0.040 nan 4.420 nan 0.000 0.218 186 P C 0.204 177.583 177.300 0.131 0.000 1.148 186 P CA 1.283 64.464 63.100 0.135 0.000 0.822 186 P CB 0.024 31.800 31.700 0.127 0.000 0.784 187 D N -2.634 117.863 120.400 0.163 0.000 2.398 187 D HA 0.041 4.681 4.640 -0.001 0.000 0.210 187 D C 0.146 176.531 176.300 0.142 0.000 1.094 187 D CA 0.019 54.104 54.000 0.142 0.000 0.839 187 D CB -0.578 40.317 40.800 0.157 0.000 0.963 187 D HN -0.033 nan 8.370 nan 0.000 0.506 188 N N 0.824 119.617 118.700 0.155 0.000 2.725 188 N HA -0.197 4.542 4.740 -0.001 0.000 0.251 188 N C -1.330 174.267 175.510 0.144 0.000 1.031 188 N CA 0.302 53.436 53.050 0.140 0.000 0.720 188 N CB -1.051 37.504 38.487 0.112 0.000 0.930 188 N HN 0.118 nan 8.380 nan 0.000 0.543 189 V N 0.665 120.683 119.914 0.173 0.000 2.969 189 V HA 0.570 4.689 4.120 -0.001 0.000 0.304 189 V C -0.548 175.648 176.094 0.170 0.000 1.192 189 V CA -0.904 61.502 62.300 0.176 0.000 0.962 189 V CB 2.007 33.949 31.823 0.198 0.000 1.045 189 V HN 0.310 nan 8.190 nan 0.000 0.428 190 M N 5.972 125.667 119.600 0.157 0.000 2.264 190 M HA 0.749 5.228 4.480 -0.001 0.000 0.352 190 M C -1.747 174.523 176.300 -0.049 0.000 1.173 190 M CA -0.279 55.095 55.300 0.123 0.000 1.075 190 M CB 1.546 34.312 32.600 0.277 0.000 1.621 190 M HN 0.517 nan 8.290 nan 0.000 0.457 191 V N 3.970 123.665 119.914 -0.365 0.000 2.604 191 V HA 0.827 4.947 4.120 -0.001 0.000 0.305 191 V C -0.571 175.238 176.094 -0.474 0.000 1.043 191 V CA -0.802 61.144 62.300 -0.591 0.000 0.888 191 V CB 1.586 32.752 31.823 -1.095 0.000 0.995 191 V HN 0.941 nan 8.190 nan 0.000 0.429 192 A N 4.127 126.737 122.820 -0.350 0.000 2.332 192 A HA 0.860 5.179 4.320 -0.001 0.000 0.300 192 A C -0.597 176.748 177.584 -0.399 0.000 1.153 192 A CA -0.715 51.129 52.037 -0.322 0.000 0.764 192 A CB 1.140 20.082 19.000 -0.096 0.000 1.174 192 A HN 0.757 nan 8.150 nan 0.000 0.467 193 R N 2.658 122.897 120.500 -0.436 0.000 2.295 193 R HA 0.699 5.038 4.340 -0.001 0.000 0.324 193 R C -1.666 174.408 176.300 -0.376 0.000 0.968 193 R CA -0.242 55.589 56.100 -0.449 0.000 0.837 193 R CB 0.227 30.217 30.300 -0.516 0.000 1.133 193 R HN 0.612 nan 8.270 nan 0.000 0.450 194 L N 3.962 125.012 121.223 -0.288 0.000 2.362 194 L HA 0.638 4.978 4.340 -0.001 0.000 0.275 194 L C -0.257 176.559 176.870 -0.090 0.000 0.998 194 L CA -0.856 53.869 54.840 -0.191 0.000 0.820 194 L CB 2.220 44.149 42.059 -0.216 0.000 1.270 194 L HN 0.850 nan 8.230 nan 0.000 0.415 195 T N -0.109 114.418 114.554 -0.045 0.000 2.903 195 T HA 0.885 5.234 4.350 -0.001 0.000 0.299 195 T C -0.795 173.911 174.700 0.012 0.000 1.093 195 T CA -0.691 61.391 62.100 -0.029 0.000 1.002 195 T CB 2.303 71.118 68.868 -0.088 0.000 1.127 195 T HN 0.707 nan 8.240 nan 0.000 0.488 196 A N 1.041 123.840 122.820 -0.034 0.000 2.374 196 A HA 0.716 5.036 4.320 -0.001 0.000 0.317 196 A C 1.111 178.575 177.584 -0.200 0.000 1.094 196 A CA -0.283 51.623 52.037 -0.219 0.000 0.765 196 A CB 1.469 20.395 19.000 -0.123 0.000 1.268 196 A HN 1.460 nan 8.150 nan 0.000 0.438 197 S N 0.622 116.157 115.700 -0.275 0.000 2.522 197 S HA 0.072 4.542 4.470 -0.001 0.000 0.227 197 S C 0.492 175.023 174.600 -0.114 0.000 0.986 197 S CA 0.689 58.789 58.200 -0.167 0.000 0.929 197 S CB -0.296 62.806 63.200 -0.163 0.000 0.769 197 S HN 0.593 nan 8.310 nan 0.000 0.529 198 K N 1.296 121.627 120.400 -0.115 0.000 2.345 198 K HA 0.667 4.987 4.320 -0.001 0.000 0.255 198 K C -0.666 175.918 176.600 -0.027 0.000 0.934 198 K CA -0.599 55.654 56.287 -0.057 0.000 0.801 198 K CB 1.979 34.454 32.500 -0.041 0.000 1.137 198 K HN 0.200 nan 8.250 nan 0.000 0.424 199 A N 1.219 124.031 122.820 -0.013 0.000 2.565 199 A HA 0.337 4.657 4.320 -0.001 0.000 0.237 199 A C 1.300 178.895 177.584 0.019 0.000 1.053 199 A CA 1.344 53.382 52.037 0.002 0.000 0.755 199 A CB -0.719 18.281 19.000 0.000 0.000 0.980 199 A HN 1.030 nan 8.150 nan 0.000 0.506 200 G N 1.562 110.379 108.800 0.029 0.000 2.205 200 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.261 200 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.261 200 G C 0.815 175.766 174.900 0.085 0.000 0.980 200 G CA 0.676 45.803 45.100 0.044 0.000 0.632 200 G HN 0.693 nan 8.290 nan 0.000 0.533 201 K N -0.633 119.833 120.400 0.109 0.000 2.374 201 K HA 0.349 4.669 4.320 -0.001 0.000 0.196 201 K C 0.653 177.468 176.600 0.359 0.000 1.023 201 K CA -0.166 56.248 56.287 0.212 0.000 1.103 201 K CB 0.323 32.919 32.500 0.161 0.000 0.848 201 K HN 0.443 nan 8.250 nan 0.000 0.528 202 L N 2.747 124.121 121.223 0.252 0.000 2.259 202 L HA 0.252 4.591 4.340 -0.001 0.000 0.288 202 L C -1.080 175.869 176.870 0.131 0.000 1.051 202 L CA 0.113 55.130 54.840 0.296 0.000 0.824 202 L CB 0.131 42.332 42.059 0.237 0.000 1.206 202 L HN 0.021 nan 8.230 nan 0.000 0.429 203 N N 6.480 125.238 118.700 0.096 0.000 2.430 203 N HA 0.593 5.333 4.740 -0.001 0.000 0.290 203 N C -1.362 174.036 175.510 -0.186 0.000 1.063 203 N CA -0.180 52.816 53.050 -0.089 0.000 0.883 203 N CB 2.075 40.558 38.487 -0.007 0.000 1.465 203 N HN 0.456 nan 8.380 nan 0.000 0.493 204 F N -0.654 119.082 119.950 -0.356 0.000 2.741 204 F HA 0.468 4.994 4.527 -0.001 0.000 0.311 204 F C -1.446 174.214 175.800 -0.233 0.000 1.149 204 F CA -1.143 56.601 58.000 -0.426 0.000 0.930 204 F CB 1.417 39.935 39.000 -0.804 0.000 1.312 204 F HN 0.118 nan 8.300 nan 0.000 0.450 205 N N 1.345 120.061 118.700 0.027 0.000 2.399 205 N HA 0.545 5.285 4.740 -0.001 0.000 0.295 205 N C -1.961 173.658 175.510 0.182 0.000 1.048 205 N CA -0.350 52.706 53.050 0.009 0.000 0.886 205 N CB 2.336 40.812 38.487 -0.018 0.000 1.185 205 N HN 0.818 nan 8.380 nan 0.000 0.487 206 V N 2.839 122.839 119.914 0.144 0.000 2.495 206 V HA 0.690 4.809 4.120 -0.001 0.000 0.298 206 V C -0.574 175.579 176.094 0.098 0.000 1.031 206 V CA -0.208 62.196 62.300 0.174 0.000 0.871 206 V CB 1.281 33.239 31.823 0.225 0.000 0.988 206 V HN 0.856 nan 8.190 nan 0.000 0.432 207 S N 5.767 121.537 115.700 0.116 0.000 2.627 207 S HA 0.719 5.189 4.470 -0.001 0.000 0.283 207 S C -0.594 174.071 174.600 0.108 0.000 1.127 207 S CA -0.794 57.464 58.200 0.096 0.000 0.863 207 S CB 1.984 65.237 63.200 0.088 0.000 1.121 207 S HN 0.963 nan 8.310 nan 0.000 0.479 208 M N 1.981 121.632 119.600 0.085 0.000 3.269 208 M HA 0.315 4.795 4.480 -0.001 0.000 0.340 208 M C -2.854 173.515 176.300 0.115 0.000 1.662 208 M CA -1.621 53.716 55.300 0.063 0.000 0.547 208 M CB 1.249 33.833 32.600 -0.025 0.000 1.449 208 M HN 0.496 nan 8.290 nan 0.000 0.459 209 P HA 0.149 nan 4.420 nan 0.000 0.271 209 P C -0.289 177.082 177.300 0.119 0.000 1.220 209 P CA 0.225 63.392 63.100 0.112 0.000 0.768 209 P CB 0.523 32.286 31.700 0.105 0.000 0.848 210 T N 0.471 115.066 114.554 0.068 0.000 2.900 210 T HA 0.051 4.400 4.350 -0.001 0.000 0.307 210 T C 0.667 175.272 174.700 -0.158 0.000 1.065 210 T CA -0.759 61.326 62.100 -0.026 0.000 1.105 210 T CB 0.081 68.811 68.868 -0.231 0.000 0.979 210 T HN 0.361 nan 8.240 nan 0.000 0.544 211 N N 1.502 120.095 118.700 -0.178 0.000 2.411 211 N HA -0.053 4.687 4.740 -0.001 0.000 0.261 211 N C 1.471 176.717 175.510 -0.441 0.000 1.248 211 N CA 0.556 53.478 53.050 -0.214 0.000 0.885 211 N CB 1.070 39.521 38.487 -0.059 0.000 1.062 211 N HN 0.898 nan 8.380 nan 0.000 0.471 212 T N 0.390 114.781 114.554 -0.270 0.000 3.160 212 T HA 0.025 4.374 4.350 -0.001 0.000 0.257 212 T C 0.793 175.340 174.700 -0.254 0.000 1.147 212 T CA 0.679 62.616 62.100 -0.272 0.000 1.064 212 T CB -0.351 68.417 68.868 -0.166 0.000 0.949 212 T HN 0.544 nan 8.240 nan 0.000 0.526 213 N N 0.544 119.110 118.700 -0.224 0.000 2.336 213 N HA 0.203 4.943 4.740 -0.001 0.000 0.189 213 N C -0.408 175.056 175.510 -0.076 0.000 1.113 213 N CA -0.377 52.591 53.050 -0.136 0.000 0.858 213 N CB 0.086 38.512 38.487 -0.103 0.000 0.970 213 N HN 0.743 nan 8.380 nan 0.000 0.471 214 Y N -1.632 118.575 120.300 -0.155 0.000 2.549 214 Y HA 0.665 5.215 4.550 -0.001 0.000 0.339 214 Y C -0.213 175.612 175.900 -0.124 0.000 1.053 214 Y CA -1.696 56.309 58.100 -0.157 0.000 1.105 214 Y CB 0.745 39.078 38.460 -0.212 0.000 1.258 214 Y HN -0.282 nan 8.280 nan 0.000 0.478 215 S N 2.519 118.284 115.700 0.107 0.000 2.528 215 S HA 0.402 4.872 4.470 -0.001 0.000 0.277 215 S C -0.777 173.890 174.600 0.111 0.000 1.297 215 S CA -0.865 57.363 58.200 0.046 0.000 1.052 215 S CB 0.169 63.388 63.200 0.033 0.000 0.917 215 S HN 0.565 nan 8.310 nan 0.000 0.492 216 K N 1.539 121.969 120.400 0.050 0.000 2.371 216 K HA 0.564 4.883 4.320 -0.001 0.000 0.251 216 K C -1.044 175.596 176.600 0.067 0.000 0.934 216 K CA -0.716 55.638 56.287 0.112 0.000 0.798 216 K CB 2.030 34.584 32.500 0.090 0.000 1.204 216 K HN 0.380 nan 8.250 nan 0.000 0.427 217 T N 0.818 115.416 114.554 0.073 0.000 2.786 217 T HA 0.420 4.769 4.350 -0.001 0.000 0.283 217 T C 0.532 175.229 174.700 -0.004 0.000 0.992 217 T CA -0.163 61.951 62.100 0.024 0.000 0.954 217 T CB 1.380 70.258 68.868 0.017 0.000 0.934 217 T HN 0.874 nan 8.240 nan 0.000 0.440 218 G N 2.923 111.716 108.800 -0.011 0.000 2.249 218 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.273 218 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.273 218 G C -0.034 174.841 174.900 -0.042 0.000 1.036 218 G CA 0.286 45.370 45.100 -0.028 0.000 0.824 218 G HN 0.824 nan 8.290 nan 0.000 0.504 219 E N 0.769 120.960 120.200 -0.016 0.000 2.360 219 E HA 0.488 4.837 4.350 -0.001 0.000 0.269 219 E C 0.765 177.364 176.600 -0.003 0.000 1.022 219 E CA 0.378 56.775 56.400 -0.006 0.000 0.887 219 E CB 0.419 30.169 29.700 0.083 0.000 0.990 219 E HN 0.452 nan 8.360 nan 0.000 0.426 220 T N 0.730 115.281 114.554 -0.005 0.000 2.907 220 T HA 0.471 4.821 4.350 -0.001 0.000 0.292 220 T C -0.472 174.245 174.700 0.028 0.000 1.043 220 T CA -0.918 61.186 62.100 0.006 0.000 1.003 220 T CB 1.825 70.691 68.868 -0.004 0.000 1.084 220 T HN 0.250 nan 8.240 nan 0.000 0.483 221 T N 2.713 117.283 114.554 0.027 0.000 2.815 221 T HA 0.700 5.049 4.350 -0.001 0.000 0.289 221 T C -0.133 174.579 174.700 0.021 0.000 1.000 221 T CA -0.686 61.434 62.100 0.035 0.000 0.958 221 T CB 1.067 69.957 68.868 0.036 0.000 0.944 221 T HN 1.049 nan 8.240 nan 0.000 0.442 222 T N -0.289 114.278 114.554 0.023 0.000 2.906 222 T HA 0.791 5.141 4.350 -0.001 0.000 0.295 222 T C -0.685 174.024 174.700 0.015 0.000 1.075 222 T CA -0.782 61.326 62.100 0.014 0.000 1.005 222 T CB 1.451 70.326 68.868 0.011 0.000 1.136 222 T HN 0.265 nan 8.240 nan 0.000 0.498 223 V N 1.514 121.433 119.914 0.008 0.000 2.555 223 V HA 0.720 4.840 4.120 -0.001 0.000 0.302 223 V C -0.265 175.832 176.094 0.005 0.000 1.038 223 V CA -0.791 61.513 62.300 0.006 0.000 0.887 223 V CB 1.724 33.546 31.823 -0.002 0.000 0.991 223 V HN 1.044 nan 8.190 nan 0.000 0.434 224 K N 2.913 123.318 120.400 0.008 0.000 2.578 224 K HA 0.590 4.910 4.320 -0.001 0.000 0.250 224 K C 0.705 177.309 176.600 0.007 0.000 0.955 224 K CA 0.366 56.657 56.287 0.007 0.000 0.825 224 K CB 1.449 33.955 32.500 0.010 0.000 1.151 224 K HN 0.950 nan 8.250 nan 0.000 0.432 225 G N 4.029 112.831 108.800 0.003 0.000 2.665 225 G HA2 -0.425 3.534 3.960 -0.001 0.000 0.326 225 G HA3 -0.425 3.534 3.960 -0.001 0.000 0.326 225 G C 0.386 175.287 174.900 0.002 0.000 1.231 225 G CA 0.934 46.036 45.100 0.002 0.000 0.992 225 G HN 0.881 nan 8.290 nan 0.000 0.549 226 D N 0.752 121.158 120.400 0.010 0.000 2.328 226 D HA 0.273 4.913 4.640 -0.001 0.000 0.226 226 D C 0.800 177.114 176.300 0.024 0.000 1.066 226 D CA 1.167 55.175 54.000 0.014 0.000 0.861 226 D CB -0.134 40.680 40.800 0.024 0.000 0.912 226 D HN 0.459 nan 8.370 nan 0.000 0.521 227 T N 0.753 115.321 114.554 0.023 0.000 2.861 227 T HA 0.444 4.793 4.350 -0.001 0.000 0.287 227 T C -0.845 173.869 174.700 0.024 0.000 1.003 227 T CA -0.773 61.346 62.100 0.030 0.000 0.977 227 T CB 2.046 70.935 68.868 0.036 0.000 0.996 227 T HN 0.041 nan 8.240 nan 0.000 0.448 228 L N 3.396 124.635 121.223 0.026 0.000 2.272 228 L HA 0.637 4.977 4.340 -0.001 0.000 0.289 228 L C -0.404 176.487 176.870 0.034 0.000 1.032 228 L CA 0.222 55.078 54.840 0.026 0.000 0.810 228 L CB 1.119 43.192 42.059 0.024 0.000 1.205 228 L HN 0.629 nan 8.230 nan 0.000 0.422 229 T N 4.581 119.160 114.554 0.042 0.000 2.792 229 T HA 0.598 4.948 4.350 -0.001 0.000 0.280 229 T C -0.760 173.988 174.700 0.080 0.000 0.990 229 T CA -0.422 61.714 62.100 0.060 0.000 0.960 229 T CB 1.511 70.410 68.868 0.052 0.000 0.939 229 T HN 0.317 nan 8.240 nan 0.000 0.439 230 V N 5.149 125.142 119.914 0.132 0.000 2.409 230 V HA 0.622 4.742 4.120 -0.001 0.000 0.291 230 V C -0.173 176.051 176.094 0.217 0.000 1.020 230 V CA -0.827 61.581 62.300 0.180 0.000 0.848 230 V CB 1.163 33.136 31.823 0.249 0.000 0.990 230 V HN 0.909 nan 8.190 nan 0.000 0.430 231 K N 3.344 123.798 120.400 0.090 0.000 2.527 231 K HA 0.948 5.267 4.320 -0.001 0.000 0.260 231 K C -0.365 176.032 176.600 -0.338 0.000 0.937 231 K CA -0.685 55.544 56.287 -0.097 0.000 0.826 231 K CB 2.922 35.393 32.500 -0.047 0.000 1.359 231 K HN 0.848 nan 8.250 nan 0.000 0.434 232 G N 0.128 108.400 108.800 -0.879 0.000 2.428 232 G HA2 0.608 4.567 3.960 -0.001 0.000 0.305 232 G HA3 0.608 4.567 3.960 -0.001 0.000 0.305 232 G C -1.911 172.471 174.900 -0.863 0.000 1.260 232 G CA -0.431 44.227 45.100 -0.737 0.000 0.853 232 G HN 0.814 nan 8.290 nan 0.000 0.480 233 A N -0.713 121.919 122.820 -0.313 0.000 2.435 233 A HA 0.796 5.116 4.320 -0.001 0.000 0.304 233 A C -0.394 177.326 177.584 0.227 0.000 1.064 233 A CA -0.615 51.399 52.037 -0.039 0.000 0.727 233 A CB 1.215 20.198 19.000 -0.028 0.000 1.284 233 A HN 0.859 nan 8.150 nan 0.000 0.415 234 L N 1.996 123.365 121.223 0.243 0.000 2.455 234 L HA 0.200 4.539 4.340 -0.001 0.000 0.272 234 L C 1.753 178.680 176.870 0.094 0.000 1.174 234 L CA 0.232 55.171 54.840 0.166 0.000 0.869 234 L CB 0.843 42.932 42.059 0.049 0.000 1.130 234 L HN 1.050 nan 8.230 nan 0.000 0.474 235 G N 2.374 111.227 108.800 0.088 0.000 2.422 235 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.218 235 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.218 235 G C 1.262 176.174 174.900 0.020 0.000 1.140 235 G CA 0.933 46.061 45.100 0.046 0.000 0.775 235 G HN 0.840 nan 8.290 nan 0.000 0.545 236 N N 1.150 119.856 118.700 0.011 0.000 2.188 236 N HA -0.079 4.660 4.740 -0.001 0.000 0.184 236 N C 1.697 177.186 175.510 -0.034 0.000 1.018 236 N CA 1.797 54.838 53.050 -0.014 0.000 0.858 236 N CB -0.228 38.242 38.487 -0.028 0.000 0.989 236 N HN 0.606 nan 8.380 nan 0.000 0.426 237 N N -3.357 115.319 118.700 -0.040 0.000 2.082 237 N HA 0.174 4.914 4.740 -0.001 0.000 0.228 237 N C 0.715 176.199 175.510 -0.043 0.000 1.341 237 N CA 0.154 53.158 53.050 -0.078 0.000 0.873 237 N CB 1.021 39.403 38.487 -0.174 0.000 1.137 237 N HN 0.192 nan 8.380 nan 0.000 0.505 238 G N 1.409 110.207 108.800 -0.002 0.000 2.162 238 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.260 238 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.260 238 G C -0.029 174.894 174.900 0.039 0.000 0.976 238 G CA 0.302 45.411 45.100 0.014 0.000 0.655 238 G HN 0.363 nan 8.290 nan 0.000 0.533 239 L N 1.089 122.351 121.223 0.066 0.000 2.578 239 L HA 0.449 4.788 4.340 -0.001 0.000 0.279 239 L C 0.795 177.746 176.870 0.135 0.000 1.227 239 L CA 0.263 55.179 54.840 0.127 0.000 0.900 239 L CB 0.345 42.511 42.059 0.178 0.000 1.144 239 L HN 0.214 nan 8.230 nan 0.000 0.496 240 L N 6.764 128.059 121.223 0.121 0.000 2.326 240 L HA 0.374 4.714 4.340 -0.001 0.000 0.278 240 L C -0.633 176.327 176.870 0.151 0.000 1.092 240 L CA -0.629 54.244 54.840 0.056 0.000 0.810 240 L CB 0.590 42.669 42.059 0.033 0.000 1.153 240 L HN 0.666 nan 8.230 nan 0.000 0.439 241 Y N 0.947 121.270 120.300 0.038 0.000 2.570 241 Y HA 0.680 5.229 4.550 -0.001 0.000 0.345 241 Y C -0.741 175.280 175.900 0.203 0.000 1.014 241 Y CA -1.230 56.919 58.100 0.081 0.000 1.063 241 Y CB 1.546 39.816 38.460 -0.315 0.000 1.272 241 Y HN 0.493 nan 8.280 nan 0.000 0.477 242 N N 1.271 120.336 118.700 0.609 0.000 2.493 242 N HA 0.354 5.094 4.740 -0.001 0.000 0.279 242 N C -1.992 173.840 175.510 0.537 0.000 1.082 242 N CA -0.185 53.129 53.050 0.440 0.000 0.963 242 N CB 2.331 40.956 38.487 0.229 0.000 1.627 242 N HN 1.002 nan 8.380 nan 0.000 0.499 243 S N 2.337 118.307 115.700 0.450 0.000 2.542 243 S HA 0.670 5.140 4.470 -0.001 0.000 0.293 243 S C -0.896 173.749 174.600 0.075 0.000 1.089 243 S CA -0.586 57.710 58.200 0.159 0.000 0.961 243 S CB 2.613 65.796 63.200 -0.027 0.000 1.062 243 S HN 0.565 nan 8.310 nan 0.000 0.483 244 Q N 1.129 120.925 119.800 -0.008 0.000 2.345 244 Q HA 0.557 4.897 4.340 -0.001 0.000 0.275 244 Q C -1.437 174.552 176.000 -0.019 0.000 1.063 244 Q CA -0.517 55.292 55.803 0.011 0.000 0.819 244 Q CB 2.506 31.269 28.738 0.042 0.000 1.356 244 Q HN 0.763 nan 8.270 nan 0.000 0.418 245 I N 2.142 122.711 120.570 -0.001 0.000 2.382 245 I HA 0.344 4.514 4.170 -0.001 0.000 0.285 245 I C -0.508 175.640 176.117 0.051 0.000 1.007 245 I CA -0.597 60.710 61.300 0.012 0.000 1.142 245 I CB 1.455 39.453 38.000 -0.003 0.000 1.289 245 I HN 0.285 nan 8.210 nan 0.000 0.453 246 K N 6.451 126.908 120.400 0.094 0.000 2.234 246 K HA 0.512 4.831 4.320 -0.001 0.000 0.277 246 K C -1.155 175.521 176.600 0.126 0.000 1.038 246 K CA -0.456 55.903 56.287 0.120 0.000 0.888 246 K CB 1.382 33.981 32.500 0.164 0.000 1.091 246 K HN 0.383 nan 8.250 nan 0.000 0.467 247 V N 5.392 125.357 119.914 0.084 0.000 2.333 247 V HA 0.203 4.323 4.120 -0.001 0.000 0.274 247 V C -0.414 175.719 176.094 0.065 0.000 1.028 247 V CA -0.853 61.485 62.300 0.063 0.000 0.851 247 V CB 1.361 33.204 31.823 0.033 0.000 1.000 247 V HN 0.483 nan 8.190 nan 0.000 0.456 248 V N 6.807 126.767 119.914 0.075 0.000 2.294 248 V HA 0.357 4.477 4.120 -0.001 0.000 0.272 248 V C -0.074 176.043 176.094 0.038 0.000 1.027 248 V CA -0.592 61.759 62.300 0.085 0.000 0.823 248 V CB 1.160 33.090 31.823 0.179 0.000 1.030 248 V HN 0.577 nan 8.190 nan 0.000 0.457 249 L N 3.876 125.112 121.223 0.020 0.000 2.416 249 L HA 0.309 4.649 4.340 -0.001 0.000 0.272 249 L C 0.520 177.396 176.870 0.011 0.000 1.161 249 L CA 0.319 55.161 54.840 0.003 0.000 0.845 249 L CB 0.082 42.132 42.059 -0.014 0.000 1.119 249 L HN 0.519 nan 8.230 nan 0.000 0.464 250 D N 2.357 122.758 120.400 0.003 0.000 2.488 250 D HA -0.036 4.604 4.640 -0.001 0.000 0.238 250 D C 0.281 176.587 176.300 0.011 0.000 1.138 250 D CA 0.355 54.359 54.000 0.007 0.000 0.873 250 D CB 0.004 40.801 40.800 -0.005 0.000 1.183 250 D HN 0.436 nan 8.370 nan 0.000 0.458 251 N N 1.177 119.889 118.700 0.019 0.000 1.939 251 N HA -0.036 4.703 4.740 -0.001 0.000 0.301 251 N C 0.484 176.000 175.510 0.010 0.000 1.353 251 N CA 0.104 53.164 53.050 0.017 0.000 0.851 251 N CB 0.222 38.721 38.487 0.021 0.000 1.153 251 N HN 0.434 nan 8.380 nan 0.000 0.496 252 G N 2.413 111.217 108.800 0.006 0.000 4.464 252 G HA2 0.035 3.995 3.960 -0.001 0.000 0.297 252 G HA3 0.035 3.995 3.960 -0.001 0.000 0.297 252 G C -0.137 174.761 174.900 -0.003 0.000 1.342 252 G CA -0.412 44.691 45.100 0.005 0.000 1.335 252 G HN 0.586 nan 8.290 nan 0.000 0.609 253 E N 1.334 121.532 120.200 -0.003 0.000 2.290 253 E HA 0.502 4.852 4.350 -0.001 0.000 0.277 253 E C 0.928 177.519 176.600 -0.015 0.000 1.035 253 E CA 0.563 56.959 56.400 -0.007 0.000 0.873 253 E CB 0.455 30.153 29.700 -0.003 0.000 1.029 253 E HN 0.608 nan 8.360 nan 0.000 0.419 254 G N 2.771 111.559 108.800 -0.019 0.000 2.610 254 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.304 254 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.304 254 G C -0.642 174.232 174.900 -0.044 0.000 1.309 254 G CA -0.397 44.683 45.100 -0.034 0.000 0.906 254 G HN 0.629 nan 8.290 nan 0.000 0.521 255 T N 0.076 114.591 114.554 -0.065 0.000 2.893 255 T HA 0.607 4.956 4.350 -0.001 0.000 0.293 255 T C -0.857 173.784 174.700 -0.099 0.000 1.027 255 T CA -0.342 61.718 62.100 -0.067 0.000 0.988 255 T CB 1.823 70.657 68.868 -0.056 0.000 1.043 255 T HN 1.182 nan 8.240 nan 0.000 0.461 256 L N 3.544 124.717 121.223 -0.083 0.000 2.341 256 L HA 0.825 5.164 4.340 -0.001 0.000 0.278 256 L C -0.420 176.404 176.870 -0.075 0.000 1.005 256 L CA -0.014 54.768 54.840 -0.097 0.000 0.818 256 L CB 1.331 43.345 42.059 -0.075 0.000 1.259 256 L HN 0.817 nan 8.230 nan 0.000 0.418 257 S N 2.112 117.760 115.700 -0.086 0.000 2.556 257 S HA 0.496 4.966 4.470 -0.001 0.000 0.271 257 S C -0.747 173.816 174.600 -0.061 0.000 1.135 257 S CA -0.931 57.230 58.200 -0.064 0.000 0.858 257 S CB 1.269 64.433 63.200 -0.061 0.000 1.114 257 S HN 0.719 nan 8.310 nan 0.000 0.468 258 E N 0.806 120.980 120.200 -0.044 0.000 2.415 258 E HA 0.361 4.710 4.350 -0.001 0.000 0.263 258 E C 0.755 177.330 176.600 -0.043 0.000 0.995 258 E CA -0.079 56.298 56.400 -0.037 0.000 0.915 258 E CB 0.171 29.856 29.700 -0.026 0.000 0.951 258 E HN 0.830 nan 8.360 nan 0.000 0.449 259 G N 2.269 111.043 108.800 -0.043 0.000 2.594 259 G HA2 -0.029 3.930 3.960 -0.001 0.000 0.243 259 G HA3 -0.029 3.930 3.960 -0.001 0.000 0.243 259 G C 1.010 175.888 174.900 -0.036 0.000 1.229 259 G CA 0.116 45.189 45.100 -0.046 0.000 0.843 259 G HN 0.662 nan 8.290 nan 0.000 0.578 260 S N 0.291 115.969 115.700 -0.037 0.000 2.400 260 S HA -0.208 4.262 4.470 -0.001 0.000 0.232 260 S C 1.630 176.213 174.600 -0.029 0.000 1.025 260 S CA 1.691 59.872 58.200 -0.032 0.000 0.993 260 S CB -0.251 62.930 63.200 -0.032 0.000 0.808 260 S HN 0.739 nan 8.310 nan 0.000 0.478 261 D N 1.284 121.666 120.400 -0.031 0.000 2.378 261 D HA 0.156 4.796 4.640 -0.001 0.000 0.227 261 D C 1.417 177.704 176.300 -0.023 0.000 1.012 261 D CA 0.632 54.614 54.000 -0.029 0.000 0.905 261 D CB -1.185 39.595 40.800 -0.034 0.000 0.895 261 D HN 0.600 nan 8.370 nan 0.000 0.532 262 G N -0.294 108.494 108.800 -0.021 0.000 2.203 262 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.263 262 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.263 262 G C 0.697 175.591 174.900 -0.010 0.000 1.012 262 G CA 0.475 45.565 45.100 -0.015 0.000 0.749 262 G HN 1.088 nan 8.290 nan 0.000 0.512 263 A N -1.053 121.761 122.820 -0.010 0.000 2.569 263 A HA 0.759 5.078 4.320 -0.001 0.000 0.284 263 A C 0.566 178.153 177.584 0.005 0.000 0.948 263 A CA 1.285 53.322 52.037 -0.000 0.000 1.007 263 A CB 0.233 19.230 19.000 -0.004 0.000 1.232 263 A HN 2.043 nan 8.150 nan 0.000 0.530 264 S N -1.121 114.578 115.700 -0.002 0.000 2.611 264 S HA 0.773 5.243 4.470 -0.001 0.000 0.268 264 S C -1.358 173.233 174.600 -0.015 0.000 1.156 264 S CA -0.693 57.507 58.200 -0.000 0.000 0.817 264 S CB 0.919 64.116 63.200 -0.005 0.000 1.122 264 S HN 0.311 nan 8.310 nan 0.000 0.466 265 L N 1.051 122.262 121.223 -0.019 0.000 2.346 265 L HA 0.646 4.986 4.340 -0.001 0.000 0.274 265 L C -0.351 176.456 176.870 -0.106 0.000 1.007 265 L CA -0.628 54.180 54.840 -0.052 0.000 0.818 265 L CB 2.041 44.075 42.059 -0.041 0.000 1.284 265 L HN 0.777 nan 8.230 nan 0.000 0.424 266 K N 2.331 122.645 120.400 -0.144 0.000 2.274 266 K HA 0.574 4.893 4.320 -0.001 0.000 0.262 266 K C -1.458 174.958 176.600 -0.305 0.000 0.961 266 K CA -0.564 55.593 56.287 -0.216 0.000 0.833 266 K CB 1.818 34.229 32.500 -0.149 0.000 1.102 266 K HN 0.325 nan 8.250 nan 0.000 0.436 267 V N 3.403 122.995 119.914 -0.537 0.000 2.370 267 V HA 0.318 4.437 4.120 -0.001 0.000 0.279 267 V C -0.627 175.220 176.094 -0.411 0.000 1.029 267 V CA -0.521 61.438 62.300 -0.569 0.000 0.870 267 V CB 1.462 32.649 31.823 -1.061 0.000 0.984 267 V HN 0.821 nan 8.190 nan 0.000 0.451 268 S N 3.012 118.571 115.700 -0.235 0.000 2.542 268 S HA 0.494 4.963 4.470 -0.001 0.000 0.293 268 S C -0.270 174.279 174.600 -0.085 0.000 1.089 268 S CA -0.718 57.399 58.200 -0.139 0.000 0.961 268 S CB 1.523 64.665 63.200 -0.096 0.000 1.062 268 S HN 0.893 nan 8.310 nan 0.000 0.483 269 D N -0.032 120.345 120.400 -0.037 0.000 2.837 269 D HA -0.173 4.467 4.640 -0.001 0.000 0.230 269 D C 0.243 176.539 176.300 -0.006 0.000 1.152 269 D CA 1.173 55.170 54.000 -0.005 0.000 0.736 269 D CB -1.358 39.437 40.800 -0.009 0.000 1.084 269 D HN 0.657 nan 8.370 nan 0.000 0.429 270 A N -0.249 122.566 122.820 -0.009 0.000 2.239 270 A HA 0.541 4.860 4.320 -0.001 0.000 0.303 270 A C 1.265 178.869 177.584 0.033 0.000 1.114 270 A CA 0.044 52.081 52.037 0.001 0.000 0.871 270 A CB 1.577 20.567 19.000 -0.017 0.000 1.201 270 A HN 0.071 nan 8.150 nan 0.000 0.506 271 K N -1.855 118.559 120.400 0.024 0.000 2.424 271 K HA 0.505 4.825 4.320 -0.001 0.000 0.200 271 K C 0.037 176.647 176.600 0.015 0.000 1.279 271 K CA 0.887 57.185 56.287 0.018 0.000 0.918 271 K CB 0.744 33.242 32.500 -0.002 0.000 1.287 271 K HN 0.880 nan 8.250 nan 0.000 0.502 272 A N 0.862 123.684 122.820 0.005 0.000 2.520 272 A HA 0.639 4.958 4.320 -0.001 0.000 0.298 272 A C -1.591 175.981 177.584 -0.020 0.000 1.051 272 A CA -0.591 51.434 52.037 -0.021 0.000 0.690 272 A CB 2.109 21.073 19.000 -0.059 0.000 1.281 272 A HN -0.050 nan 8.150 nan 0.000 0.402 273 V N 0.988 120.880 119.914 -0.036 0.000 2.888 273 V HA 0.658 4.778 4.120 -0.001 0.000 0.309 273 V C -0.384 175.630 176.094 -0.134 0.000 1.114 273 V CA -0.466 61.821 62.300 -0.022 0.000 0.940 273 V CB 2.548 34.446 31.823 0.125 0.000 1.021 273 V HN 0.978 nan 8.190 nan 0.000 0.426 274 T N 5.345 119.804 114.554 -0.158 0.000 2.797 274 T HA 0.688 5.038 4.350 -0.001 0.000 0.279 274 T C -0.805 173.719 174.700 -0.294 0.000 0.991 274 T CA -0.394 61.521 62.100 -0.310 0.000 0.979 274 T CB 1.248 69.905 68.868 -0.353 0.000 0.943 274 T HN 0.210 nan 8.240 nan 0.000 0.444 275 L N 3.441 124.449 121.223 -0.358 0.000 2.317 275 L HA 0.506 4.846 4.340 -0.001 0.000 0.281 275 L C -0.931 175.657 176.870 -0.471 0.000 1.024 275 L CA -0.699 53.986 54.840 -0.259 0.000 0.810 275 L CB 0.646 42.641 42.059 -0.107 0.000 1.240 275 L HN 0.609 nan 8.230 nan 0.000 0.427 276 Y N 4.097 124.399 120.300 0.003 0.000 2.335 276 Y HA 0.646 5.196 4.550 -0.001 0.000 0.338 276 Y C -0.213 175.685 175.900 -0.002 0.000 0.977 276 Y CA -0.528 57.573 58.100 0.003 0.000 1.114 276 Y CB 1.306 39.779 38.460 0.023 0.000 1.182 276 Y HN 0.339 nan 8.280 nan 0.000 0.463 277 I N 3.232 123.874 120.570 0.121 0.000 2.447 277 I HA 0.761 4.931 4.170 -0.001 0.000 0.287 277 I C -0.482 175.671 176.117 0.061 0.000 1.023 277 I CA -0.555 60.763 61.300 0.030 0.000 1.083 277 I CB 1.698 39.681 38.000 -0.027 0.000 1.245 277 I HN 0.689 nan 8.210 nan 0.000 0.434 278 A N 4.717 127.547 122.820 0.017 0.000 2.469 278 A HA 1.027 5.346 4.320 -0.001 0.000 0.299 278 A C -1.171 176.408 177.584 -0.009 0.000 1.098 278 A CA -0.552 51.516 52.037 0.052 0.000 0.737 278 A CB 1.914 20.960 19.000 0.076 0.000 1.312 278 A HN 0.873 nan 8.150 nan 0.000 0.414 279 A N -0.358 122.482 122.820 0.034 0.000 2.594 279 A HA 1.016 5.336 4.320 -0.001 0.000 0.295 279 A C -0.563 177.088 177.584 0.111 0.000 1.071 279 A CA 0.061 52.080 52.037 -0.030 0.000 0.685 279 A CB 1.203 19.938 19.000 -0.441 0.000 1.285 279 A HN 2.716 nan 8.150 nan 0.000 0.405 280 A N -0.005 122.986 122.820 0.285 0.000 2.601 280 A HA 0.941 5.260 4.320 -0.001 0.000 0.291 280 A C -0.263 177.607 177.584 0.477 0.000 1.075 280 A CA 0.210 52.448 52.037 0.334 0.000 0.671 280 A CB 0.825 19.964 19.000 0.232 0.000 1.277 280 A HN 2.363 nan 8.150 nan 0.000 0.417 281 T N -2.047 112.749 114.554 0.403 0.000 2.883 281 T HA 0.604 4.954 4.350 -0.001 0.000 0.284 281 T C -0.168 174.700 174.700 0.280 0.000 1.041 281 T CA 0.304 62.620 62.100 0.360 0.000 1.007 281 T CB 1.578 70.670 68.868 0.373 0.000 1.220 281 T HN 0.789 nan 8.240 nan 0.000 0.552 282 D N -0.534 120.011 120.400 0.242 0.000 2.370 282 D HA 0.030 4.669 4.640 -0.001 0.000 0.230 282 D C 0.181 176.612 176.300 0.218 0.000 1.143 282 D CA -0.544 53.568 54.000 0.188 0.000 0.834 282 D CB -0.858 40.017 40.800 0.126 0.000 0.944 282 D HN 0.575 nan 8.370 nan 0.000 0.504 283 Y N 1.994 122.406 120.300 0.188 0.000 2.683 283 Y HA 0.169 4.719 4.550 -0.001 0.000 0.340 283 Y C 0.078 176.080 175.900 0.170 0.000 1.245 283 Y CA 0.316 58.543 58.100 0.212 0.000 1.485 283 Y CB 0.554 39.144 38.460 0.218 0.000 1.328 283 Y HN -0.119 nan 8.280 nan 0.000 0.603 284 K N 4.645 124.588 120.400 -0.761 0.000 2.525 284 K HA 0.167 4.487 4.320 -0.001 0.000 0.254 284 K C -1.354 174.720 176.600 -0.877 0.000 0.934 284 K CA -0.760 55.166 56.287 -0.602 0.000 0.802 284 K CB 1.553 33.909 32.500 -0.239 0.000 1.295 284 K HN 0.758 nan 8.250 nan 0.000 0.433 285 Q N 4.045 123.581 119.800 -0.439 0.000 2.837 285 Q HA 0.057 4.396 4.340 -0.001 0.000 0.235 285 Q C -1.227 174.667 176.000 -0.177 0.000 1.348 285 Q CA 0.277 56.027 55.803 -0.088 0.000 0.990 285 Q CB 0.142 28.980 28.738 0.167 0.000 1.570 285 Q HN 0.363 nan 8.270 nan 0.000 0.575 286 K N 3.153 123.301 120.400 -0.420 0.000 2.740 286 K HA 0.106 4.425 4.320 -0.001 0.000 0.246 286 K C -1.772 174.376 176.600 -0.753 0.000 1.021 286 K CA -0.665 55.372 56.287 -0.417 0.000 1.021 286 K CB 0.713 33.050 32.500 -0.271 0.000 1.233 286 K HN 0.351 nan 8.250 nan 0.000 0.497 287 Y N 5.552 125.384 120.300 -0.780 0.000 2.497 287 Y HA 0.165 4.715 4.550 -0.001 0.000 0.334 287 Y C -1.566 174.135 175.900 -0.331 0.000 1.199 287 Y CA -0.827 56.871 58.100 -0.670 0.000 1.425 287 Y CB 1.048 39.346 38.460 -0.269 0.000 1.291 287 Y HN 0.553 nan 8.280 nan 0.000 0.562 288 P HA -0.001 nan 4.420 nan 0.000 0.252 288 P C 0.883 177.971 177.300 -0.354 0.000 1.218 288 P CA 0.978 63.477 63.100 -1.001 0.000 0.807 288 P CB 0.349 31.417 31.700 -1.053 0.000 1.072 289 S N -1.071 114.453 115.700 -0.292 0.000 2.446 289 S HA -0.122 4.348 4.470 -0.001 0.000 0.225 289 S C 0.779 175.398 174.600 0.032 0.000 1.016 289 S CA -0.063 58.077 58.200 -0.099 0.000 0.943 289 S CB -1.367 61.770 63.200 -0.105 0.000 0.786 289 S HN 0.039 nan 8.310 nan 0.000 0.508 290 Y N 1.564 121.820 120.300 -0.073 0.000 3.491 290 Y HA -0.180 4.369 4.550 -0.001 0.000 0.215 290 Y C 0.478 176.298 175.900 -0.132 0.000 1.219 290 Y CA 0.568 58.612 58.100 -0.094 0.000 1.485 290 Y CB -1.739 36.827 38.460 0.177 0.000 1.450 290 Y HN 0.315 nan 8.280 nan 0.000 0.603 291 R N -1.022 119.452 120.500 -0.044 0.000 2.771 291 R HA 0.455 4.794 4.340 -0.001 0.000 0.274 291 R C 1.224 177.496 176.300 -0.047 0.000 0.987 291 R CA 0.062 56.152 56.100 -0.015 0.000 0.908 291 R CB 1.139 31.452 30.300 0.021 0.000 1.213 291 R HN 0.125 nan 8.270 nan 0.000 0.468 292 T N -2.445 112.103 114.554 -0.009 0.000 2.951 292 T HA 0.043 4.393 4.350 -0.001 0.000 0.268 292 T C 1.258 175.956 174.700 -0.004 0.000 1.073 292 T CA 1.148 63.245 62.100 -0.005 0.000 1.134 292 T CB 0.036 68.922 68.868 0.031 0.000 0.884 292 T HN 0.891 nan 8.240 nan 0.000 0.479 293 G N 1.056 109.859 108.800 0.005 0.000 2.157 293 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.239 293 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.239 293 G C -0.231 174.676 174.900 0.012 0.000 0.982 293 G CA 0.018 45.119 45.100 0.002 0.000 0.650 293 G HN 0.671 nan 8.290 nan 0.000 0.527 294 E N 1.407 121.621 120.200 0.024 0.000 2.390 294 E HA 0.442 4.792 4.350 -0.001 0.000 0.261 294 E C 1.197 177.813 176.600 0.026 0.000 1.076 294 E CA 0.450 56.867 56.400 0.029 0.000 0.905 294 E CB 0.597 30.324 29.700 0.044 0.000 0.984 294 E HN 0.441 nan 8.360 nan 0.000 0.427 295 T N -1.175 113.392 114.554 0.021 0.000 2.849 295 T HA 0.346 4.696 4.350 -0.001 0.000 0.284 295 T C 1.208 175.919 174.700 0.018 0.000 1.004 295 T CA -0.300 61.809 62.100 0.015 0.000 1.021 295 T CB 1.452 70.326 68.868 0.010 0.000 1.013 295 T HN 0.482 nan 8.240 nan 0.000 0.527 296 A N 1.288 124.112 122.820 0.006 0.000 1.917 296 A HA 0.033 4.352 4.320 -0.001 0.000 0.219 296 A C 2.648 180.238 177.584 0.010 0.000 1.182 296 A CA 2.239 54.276 52.037 -0.000 0.000 0.633 296 A CB -1.614 17.371 19.000 -0.026 0.000 0.819 296 A HN 1.296 nan 8.150 nan 0.000 0.448 297 A N -0.443 122.383 122.820 0.009 0.000 1.902 297 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 297 A C 1.925 179.523 177.584 0.024 0.000 1.181 297 A CA 1.627 53.673 52.037 0.014 0.000 0.623 297 A CB -0.509 18.496 19.000 0.010 0.000 0.818 297 A HN 0.658 nan 8.150 nan 0.000 0.443 298 E N -0.333 119.883 120.200 0.026 0.000 2.106 298 E HA -0.109 4.241 4.350 -0.001 0.000 0.192 298 E C 1.968 178.595 176.600 0.046 0.000 0.984 298 E CA 1.230 57.650 56.400 0.033 0.000 0.806 298 E CB -0.238 29.480 29.700 0.030 0.000 0.750 298 E HN 0.435 nan 8.360 nan 0.000 0.458 299 V N 1.682 121.629 119.914 0.055 0.000 2.358 299 V HA -0.262 3.857 4.120 -0.001 0.000 0.246 299 V C 2.141 178.282 176.094 0.078 0.000 1.047 299 V CA 1.963 64.310 62.300 0.079 0.000 1.035 299 V CB -0.689 31.191 31.823 0.095 0.000 0.658 299 V HN 0.271 nan 8.190 nan 0.000 0.452 300 N N 0.423 119.159 118.700 0.059 0.000 2.069 300 N HA -0.194 4.546 4.740 -0.001 0.000 0.191 300 N C 1.795 177.336 175.510 0.051 0.000 1.031 300 N CA 2.294 55.377 53.050 0.055 0.000 0.852 300 N CB -0.348 38.161 38.487 0.037 0.000 1.018 300 N HN 0.436 nan 8.380 nan 0.000 0.423 301 T N -0.095 114.484 114.554 0.042 0.000 2.746 301 T HA -0.154 4.195 4.350 -0.001 0.000 0.267 301 T C 1.838 176.564 174.700 0.043 0.000 1.039 301 T CA 1.296 63.419 62.100 0.037 0.000 1.142 301 T CB -0.283 68.603 68.868 0.030 0.000 0.866 301 T HN 0.306 nan 8.240 nan 0.000 0.444 302 R N 0.537 121.068 120.500 0.052 0.000 2.070 302 R HA -0.089 4.251 4.340 -0.001 0.000 0.233 302 R C 2.310 178.649 176.300 0.065 0.000 1.137 302 R CA 1.435 57.570 56.100 0.059 0.000 0.945 302 R CB -0.563 29.779 30.300 0.070 0.000 0.845 302 R HN 0.227 nan 8.270 nan 0.000 0.430 303 V N 1.101 121.061 119.914 0.077 0.000 2.358 303 V HA -0.186 3.934 4.120 -0.001 0.000 0.246 303 V C 2.491 178.622 176.094 0.062 0.000 1.047 303 V CA 1.772 64.120 62.300 0.080 0.000 1.035 303 V CB -0.808 31.077 31.823 0.102 0.000 0.658 303 V HN 0.575 nan 8.190 nan 0.000 0.452 304 A N -0.091 122.760 122.820 0.053 0.000 1.917 304 A HA -0.320 3.999 4.320 -0.001 0.000 0.219 304 A C 2.363 179.965 177.584 0.030 0.000 1.182 304 A CA 2.441 54.501 52.037 0.040 0.000 0.633 304 A CB -0.530 18.491 19.000 0.034 0.000 0.819 304 A HN 0.524 nan 8.150 nan 0.000 0.448 305 K N -0.412 120.006 120.400 0.031 0.000 2.148 305 K HA -0.051 4.269 4.320 -0.001 0.000 0.204 305 K C 1.818 178.428 176.600 0.017 0.000 1.050 305 K CA 1.273 57.573 56.287 0.021 0.000 0.942 305 K CB -0.217 32.298 32.500 0.026 0.000 0.724 305 K HN 0.274 nan 8.250 nan 0.000 0.446 306 V N 1.237 121.170 119.914 0.033 0.000 2.255 306 V HA -0.261 3.858 4.120 -0.001 0.000 0.247 306 V C 2.377 178.478 176.094 0.011 0.000 1.051 306 V CA 1.990 64.312 62.300 0.037 0.000 1.018 306 V CB -0.449 31.413 31.823 0.065 0.000 0.641 306 V HN 0.378 nan 8.190 nan 0.000 0.445 307 V N -1.511 118.414 119.914 0.019 0.000 2.453 307 V HA -0.242 3.878 4.120 -0.001 0.000 0.247 307 V C 2.318 178.352 176.094 -0.100 0.000 1.048 307 V CA 2.186 64.486 62.300 -0.000 0.000 1.049 307 V CB -0.879 30.989 31.823 0.075 0.000 0.672 307 V HN 0.509 nan 8.190 nan 0.000 0.457 308 Q N 1.075 120.843 119.800 -0.053 0.000 2.046 308 Q HA -0.186 4.154 4.340 -0.001 0.000 0.200 308 Q C 1.894 177.832 176.000 -0.103 0.000 0.975 308 Q CA 2.369 58.131 55.803 -0.068 0.000 0.836 308 Q CB -0.571 28.152 28.738 -0.025 0.000 0.896 308 Q HN 0.695 nan 8.270 nan 0.000 0.428 309 D N -0.205 120.150 120.400 -0.074 0.000 2.123 309 D HA -0.158 4.482 4.640 -0.001 0.000 0.196 309 D C 1.624 177.851 176.300 -0.121 0.000 0.992 309 D CA 1.565 55.526 54.000 -0.066 0.000 0.833 309 D CB -0.425 40.361 40.800 -0.025 0.000 0.954 309 D HN 0.411 nan 8.370 nan 0.000 0.455 310 A N 0.954 123.654 122.820 -0.199 0.000 1.902 310 A HA -0.042 4.277 4.320 -0.001 0.000 0.217 310 A C 2.315 179.545 177.584 -0.590 0.000 1.181 310 A CA 2.269 54.115 52.037 -0.318 0.000 0.623 310 A CB -0.733 18.060 19.000 -0.345 0.000 0.818 310 A HN 0.240 nan 8.150 nan 0.000 0.443 311 A N 0.184 122.543 122.820 -0.768 0.000 1.930 311 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 311 A C 1.872 179.350 177.584 -0.176 0.000 1.175 311 A CA 1.741 53.435 52.037 -0.572 0.000 0.627 311 A CB -0.613 18.197 19.000 -0.317 0.000 0.815 311 A HN 0.537 nan 8.150 nan 0.000 0.443 312 N N 0.245 118.867 118.700 -0.131 0.000 2.166 312 N HA -0.123 4.617 4.740 -0.001 0.000 0.186 312 N C 1.556 177.055 175.510 -0.019 0.000 1.019 312 N CA 1.479 54.501 53.050 -0.048 0.000 0.856 312 N CB -0.293 38.172 38.487 -0.036 0.000 0.993 312 N HN 0.579 nan 8.380 nan 0.000 0.426 313 K N 0.044 120.427 120.400 -0.029 0.000 2.103 313 K HA 0.085 4.405 4.320 -0.001 0.000 0.204 313 K C 0.893 177.526 176.600 0.055 0.000 1.052 313 K CA 0.721 57.017 56.287 0.015 0.000 0.945 313 K CB -0.121 32.392 32.500 0.022 0.000 0.722 313 K HN 0.272 nan 8.250 nan 0.000 0.443 314 G N 0.270 109.115 108.800 0.076 0.000 2.699 314 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.686 314 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.686 314 G C -0.031 175.049 174.900 0.301 0.000 1.301 314 G CA -0.102 45.112 45.100 0.189 0.000 0.816 314 G HN 0.194 nan 8.290 nan 0.000 0.595 315 Y N 0.655 121.107 120.300 0.253 0.000 2.145 315 Y HA -0.105 4.445 4.550 -0.001 0.000 0.286 315 Y C 3.109 179.132 175.900 0.206 0.000 1.145 315 Y CA 3.282 61.536 58.100 0.257 0.000 1.148 315 Y CB -0.575 37.981 38.460 0.159 0.000 0.981 315 Y HN 0.702 nan 8.280 nan 0.000 0.507 316 T N 0.930 115.478 114.554 -0.010 0.000 2.684 316 T HA -0.237 4.113 4.350 -0.001 0.000 0.267 316 T C 2.127 176.763 174.700 -0.107 0.000 1.036 316 T CA 1.859 63.871 62.100 -0.146 0.000 1.148 316 T CB -0.904 67.970 68.868 0.009 0.000 0.863 316 T HN 0.502 nan 8.240 nan 0.000 0.436 317 A N 0.790 123.609 122.820 -0.002 0.000 1.898 317 A HA -0.008 4.311 4.320 -0.001 0.000 0.216 317 A C 2.608 180.216 177.584 0.041 0.000 1.181 317 A CA 1.251 53.301 52.037 0.021 0.000 0.620 317 A CB -0.935 18.093 19.000 0.047 0.000 0.819 317 A HN 0.352 nan 8.150 nan 0.000 0.442 318 V N 0.338 120.311 119.914 0.099 0.000 2.307 318 V HA -0.263 3.856 4.120 -0.001 0.000 0.245 318 V C 2.546 178.744 176.094 0.172 0.000 1.045 318 V CA 2.388 64.808 62.300 0.200 0.000 1.024 318 V CB -0.668 31.367 31.823 0.355 0.000 0.651 318 V HN 0.715 nan 8.190 nan 0.000 0.449 319 K N 0.508 120.918 120.400 0.015 0.000 2.057 319 K HA -0.259 4.061 4.320 -0.001 0.000 0.207 319 K C 2.287 178.751 176.600 -0.227 0.000 1.049 319 K CA 1.984 58.100 56.287 -0.286 0.000 0.931 319 K CB -0.200 31.986 32.500 -0.523 0.000 0.714 319 K HN 0.386 nan 8.250 nan 0.000 0.440 320 K N 0.092 120.409 120.400 -0.137 0.000 2.009 320 K HA -0.151 4.168 4.320 -0.001 0.000 0.210 320 K C 2.011 178.587 176.600 -0.040 0.000 1.049 320 K CA 1.438 57.675 56.287 -0.085 0.000 0.929 320 K CB -0.274 32.194 32.500 -0.052 0.000 0.714 320 K HN 0.245 nan 8.250 nan 0.000 0.440 321 A N 1.180 124.007 122.820 0.012 0.000 1.933 321 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 321 A C 2.165 179.785 177.584 0.060 0.000 1.175 321 A CA 1.726 53.790 52.037 0.045 0.000 0.628 321 A CB -0.979 18.069 19.000 0.080 0.000 0.814 321 A HN 0.630 nan 8.150 nan 0.000 0.444 322 H N -0.168 118.890 119.070 -0.021 0.000 2.293 322 H HA -0.074 4.482 4.556 -0.001 0.000 0.300 322 H C 1.990 177.293 175.328 -0.042 0.000 1.082 322 H CA 2.017 58.049 56.048 -0.025 0.000 1.308 322 H CB -0.173 29.491 29.762 -0.164 0.000 1.375 322 H HN 0.446 nan 8.280 nan 0.000 0.495 323 I N 1.047 121.412 120.570 -0.342 0.000 2.286 323 I HA -0.244 3.926 4.170 -0.001 0.000 0.248 323 I C 2.042 178.071 176.117 -0.146 0.000 1.115 323 I CA 1.239 62.347 61.300 -0.320 0.000 1.392 323 I CB -0.255 37.631 38.000 -0.191 0.000 1.065 323 I HN 0.262 nan 8.210 nan 0.000 0.418 324 D N 0.580 120.928 120.400 -0.086 0.000 2.117 324 D HA -0.231 4.408 4.640 -0.001 0.000 0.197 324 D C 1.723 178.013 176.300 -0.016 0.000 0.987 324 D CA 1.585 55.568 54.000 -0.028 0.000 0.829 324 D CB -0.389 40.406 40.800 -0.010 0.000 0.961 324 D HN 0.406 nan 8.370 nan 0.000 0.460 325 D N -0.640 119.746 120.400 -0.024 0.000 2.097 325 D HA -0.206 4.434 4.640 -0.001 0.000 0.197 325 D C 2.015 178.316 176.300 0.003 0.000 0.984 325 D CA 1.112 55.117 54.000 0.008 0.000 0.826 325 D CB -0.003 40.825 40.800 0.047 0.000 0.973 325 D HN 0.192 nan 8.370 nan 0.000 0.460 326 H N 0.024 118.999 119.070 -0.157 0.000 2.270 326 H HA -0.123 4.433 4.556 -0.001 0.000 0.299 326 H C 2.137 177.477 175.328 0.020 0.000 1.077 326 H CA 2.224 58.209 56.048 -0.105 0.000 1.294 326 H CB -0.386 29.204 29.762 -0.288 0.000 1.371 326 H HN 0.306 nan 8.280 nan 0.000 0.491 327 S N 0.504 116.258 115.700 0.091 0.000 2.419 327 S HA -0.038 4.432 4.470 -0.001 0.000 0.233 327 S C 2.398 177.047 174.600 0.083 0.000 1.016 327 S CA 0.870 59.154 58.200 0.139 0.000 0.974 327 S CB -0.477 62.807 63.200 0.140 0.000 0.786 327 S HN 0.553 nan 8.310 nan 0.000 0.492 328 A N 1.672 124.514 122.820 0.036 0.000 1.972 328 A HA 0.104 4.423 4.320 -0.001 0.000 0.219 328 A C 2.139 179.737 177.584 0.024 0.000 1.169 328 A CA 1.459 53.515 52.037 0.031 0.000 0.635 328 A CB -0.632 18.382 19.000 0.024 0.000 0.810 328 A HN 0.626 nan 8.150 nan 0.000 0.446 329 I N -3.015 117.554 120.570 -0.002 0.000 2.429 329 I HA -0.080 4.090 4.170 -0.001 0.000 0.247 329 I C 2.358 178.475 176.117 0.001 0.000 1.099 329 I CA 0.928 62.223 61.300 -0.010 0.000 1.422 329 I CB -0.348 37.631 38.000 -0.035 0.000 1.112 329 I HN 0.427 nan 8.210 nan 0.000 0.430 330 Y N 1.990 122.208 120.300 -0.138 0.000 2.145 330 Y HA -0.260 4.289 4.550 -0.001 0.000 0.286 330 Y C 1.873 177.795 175.900 0.037 0.000 1.145 330 Y CA 1.687 59.747 58.100 -0.068 0.000 1.148 330 Y CB -0.146 38.250 38.460 -0.107 0.000 0.981 330 Y HN 0.147 nan 8.280 nan 0.000 0.507 331 D N -0.204 120.276 120.400 0.132 0.000 2.378 331 D HA -0.043 4.596 4.640 -0.001 0.000 0.227 331 D C 1.896 178.204 176.300 0.012 0.000 1.012 331 D CA 0.493 54.539 54.000 0.076 0.000 0.905 331 D CB -0.163 40.722 40.800 0.141 0.000 0.895 331 D HN 0.437 nan 8.370 nan 0.000 0.532 332 R N -0.245 120.251 120.500 -0.007 0.000 2.120 332 R HA -0.015 4.325 4.340 -0.001 0.000 0.234 332 R C 0.457 176.765 176.300 0.014 0.000 1.123 332 R CA 0.603 56.710 56.100 0.011 0.000 0.975 332 R CB 0.284 30.594 30.300 0.016 0.000 0.866 332 R HN -0.008 nan 8.270 nan 0.000 0.446 333 V N 1.809 121.712 119.914 -0.019 0.000 2.459 333 V HA 0.269 4.388 4.120 -0.001 0.000 0.295 333 V C -0.373 175.720 176.094 -0.002 0.000 1.029 333 V CA -0.770 61.542 62.300 0.020 0.000 0.874 333 V CB 1.849 33.717 31.823 0.075 0.000 0.985 333 V HN 0.022 nan 8.190 nan 0.000 0.438 334 K N 4.944 125.359 120.400 0.024 0.000 2.397 334 K HA 0.633 4.953 4.320 -0.001 0.000 0.253 334 K C -1.187 175.411 176.600 -0.003 0.000 0.932 334 K CA -0.449 55.845 56.287 0.012 0.000 0.795 334 K CB 3.110 35.616 32.500 0.010 0.000 1.159 334 K HN 0.681 nan 8.250 nan 0.000 0.424 335 I N 1.503 122.056 120.570 -0.029 0.000 2.478 335 I HA 0.243 4.412 4.170 -0.001 0.000 0.287 335 I C -1.468 174.579 176.117 -0.116 0.000 1.042 335 I CA -0.499 60.743 61.300 -0.096 0.000 1.067 335 I CB 1.646 39.518 38.000 -0.214 0.000 1.233 335 I HN 0.431 nan 8.210 nan 0.000 0.431 336 D N 7.538 127.843 120.400 -0.159 0.000 2.462 336 D HA 0.351 4.991 4.640 -0.001 0.000 0.245 336 D C -0.123 176.010 176.300 -0.278 0.000 1.122 336 D CA -0.230 53.655 54.000 -0.190 0.000 0.864 336 D CB 1.372 42.065 40.800 -0.179 0.000 1.098 336 D HN 0.546 nan 8.370 nan 0.000 0.541 337 L N 2.643 123.703 121.223 -0.271 0.000 2.769 337 L HA 0.379 4.718 4.340 -0.001 0.000 0.240 337 L C 1.379 178.127 176.870 -0.202 0.000 1.163 337 L CA 0.015 54.665 54.840 -0.316 0.000 0.962 337 L CB 0.377 42.120 42.059 -0.526 0.000 1.258 337 L HN 0.695 nan 8.230 nan 0.000 0.513 338 G N 0.611 109.314 108.800 -0.162 0.000 2.130 338 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.216 338 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.216 338 G C 0.262 175.121 174.900 -0.067 0.000 0.999 338 G CA -0.008 45.029 45.100 -0.105 0.000 0.686 338 G HN 0.448 nan 8.290 nan 0.000 0.515 339 Q N 1.003 120.761 119.800 -0.069 0.000 2.395 339 Q HA 0.451 4.791 4.340 -0.001 0.000 0.271 339 Q C 0.767 176.753 176.000 -0.023 0.000 1.026 339 Q CA 0.568 56.353 55.803 -0.029 0.000 0.900 339 Q CB 0.728 29.453 28.738 -0.022 0.000 1.266 339 Q HN 1.032 nan 8.270 nan 0.000 0.430 340 S N 0.894 116.594 115.700 -0.000 0.000 2.617 340 S HA 0.774 5.244 4.470 -0.001 0.000 0.259 340 S C 0.406 175.011 174.600 0.007 0.000 1.301 340 S CA -0.139 58.060 58.200 -0.002 0.000 0.984 340 S CB 1.132 64.345 63.200 0.020 0.000 0.954 340 S HN 0.999 nan 8.310 nan 0.000 0.572 341 G N -0.950 107.846 108.800 -0.008 0.000 2.682 341 G HA2 0.465 4.424 3.960 -0.001 0.000 0.303 341 G HA3 0.465 4.424 3.960 -0.001 0.000 0.303 341 G C -0.044 174.854 174.900 -0.004 0.000 1.341 341 G CA -0.168 44.937 45.100 0.009 0.000 0.784 341 G HN 0.978 nan 8.290 nan 0.000 0.497 342 H N -1.529 117.485 119.070 -0.094 0.000 2.521 342 H HA 0.153 4.708 4.556 -0.001 0.000 0.286 342 H C 1.757 176.836 175.328 -0.416 0.000 1.034 342 H CA 1.940 57.818 56.048 -0.283 0.000 1.278 342 H CB 0.259 29.574 29.762 -0.744 0.000 1.386 342 H HN 0.189 nan 8.280 nan 0.000 0.567 343 S N -0.186 115.016 115.700 -0.830 0.000 2.548 343 S HA 0.104 4.573 4.470 -0.001 0.000 0.215 343 S C 0.549 174.965 174.600 -0.306 0.000 0.976 343 S CA -0.080 57.752 58.200 -0.615 0.000 0.908 343 S CB 0.152 62.947 63.200 -0.675 0.000 0.781 343 S HN 0.388 nan 8.310 nan 0.000 0.519 344 S N 2.976 118.552 115.700 -0.207 0.000 2.563 344 S HA 0.046 4.516 4.470 -0.001 0.000 0.284 344 S C -0.102 174.454 174.600 -0.074 0.000 1.331 344 S CA -0.271 57.864 58.200 -0.109 0.000 1.047 344 S CB 0.177 63.347 63.200 -0.051 0.000 0.859 344 S HN 0.318 nan 8.310 nan 0.000 0.514 345 D N 1.548 121.914 120.400 -0.057 0.000 2.472 345 D HA 0.286 4.926 4.640 -0.001 0.000 0.248 345 D C 1.205 177.504 176.300 -0.002 0.000 1.174 345 D CA 1.169 55.150 54.000 -0.032 0.000 0.883 345 D CB 0.196 40.978 40.800 -0.029 0.000 1.149 345 D HN 0.878 nan 8.370 nan 0.000 0.488 346 G N 1.695 110.506 108.800 0.018 0.000 2.176 346 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.252 346 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.252 346 G C 0.514 175.468 174.900 0.090 0.000 1.024 346 G CA 0.064 45.193 45.100 0.049 0.000 0.755 346 G HN 0.857 nan 8.290 nan 0.000 0.507 347 A N -0.613 122.278 122.820 0.118 0.000 2.540 347 A HA 0.555 4.875 4.320 -0.001 0.000 0.239 347 A C 1.066 178.872 177.584 0.369 0.000 1.061 347 A CA 0.629 52.803 52.037 0.228 0.000 0.758 347 A CB 0.352 19.486 19.000 0.223 0.000 0.991 347 A HN 1.950 nan 8.150 nan 0.000 0.502 348 V N 0.706 120.765 119.914 0.241 0.000 2.539 348 V HA 0.754 4.874 4.120 -0.001 0.000 0.292 348 V C 0.693 176.560 176.094 -0.379 0.000 1.045 348 V CA -0.633 61.674 62.300 0.012 0.000 0.945 348 V CB 0.551 32.346 31.823 -0.046 0.000 0.993 348 V HN 1.513 nan 8.190 nan 0.000 0.464 349 A N 3.533 125.786 122.820 -0.946 0.000 2.466 349 A HA 0.393 4.713 4.320 -0.001 0.000 0.238 349 A C 1.378 178.361 177.584 -1.002 0.000 1.074 349 A CA 0.557 51.576 52.037 -1.698 0.000 0.774 349 A CB -0.107 18.194 19.000 -1.166 0.000 1.015 349 A HN 1.082 nan 8.150 nan 0.000 0.498 350 T N 0.891 114.752 114.554 -1.156 0.000 2.821 350 T HA -0.143 4.207 4.350 -0.001 0.000 0.267 350 T C 1.456 175.905 174.700 -0.419 0.000 1.046 350 T CA 1.766 63.441 62.100 -0.708 0.000 1.139 350 T CB -0.394 68.004 68.868 -0.783 0.000 0.871 350 T HN 0.899 nan 8.240 nan 0.000 0.454 351 D N 2.308 122.477 120.400 -0.384 0.000 2.117 351 D HA -0.034 4.606 4.640 -0.001 0.000 0.197 351 D C 2.240 178.467 176.300 -0.121 0.000 0.987 351 D CA 1.284 55.228 54.000 -0.094 0.000 0.829 351 D CB -0.860 39.981 40.800 0.068 0.000 0.961 351 D HN 0.421 nan 8.370 nan 0.000 0.460 352 A N 0.578 123.282 122.820 -0.192 0.000 1.902 352 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 352 A C 2.247 179.770 177.584 -0.102 0.000 1.181 352 A CA 1.623 53.577 52.037 -0.137 0.000 0.623 352 A CB -0.934 17.963 19.000 -0.171 0.000 0.818 352 A HN 0.286 nan 8.150 nan 0.000 0.443 353 L N -0.650 120.485 121.223 -0.146 0.000 2.012 353 L HA -0.143 4.196 4.340 -0.001 0.000 0.210 353 L C 2.258 179.127 176.870 -0.002 0.000 1.073 353 L CA 2.204 57.003 54.840 -0.069 0.000 0.748 353 L CB -0.695 41.300 42.059 -0.106 0.000 0.891 353 L HN 0.357 nan 8.230 nan 0.000 0.431 354 L N -0.301 120.898 121.223 -0.041 0.000 2.012 354 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 354 L C 2.421 179.328 176.870 0.061 0.000 1.073 354 L CA 1.861 56.702 54.840 0.001 0.000 0.748 354 L CB -0.859 41.189 42.059 -0.019 0.000 0.891 354 L HN 0.209 nan 8.230 nan 0.000 0.431 355 K N 0.002 120.419 120.400 0.029 0.000 2.097 355 K HA -0.017 4.303 4.320 -0.001 0.000 0.206 355 K C 2.148 178.779 176.600 0.051 0.000 1.049 355 K CA 1.392 57.701 56.287 0.037 0.000 0.933 355 K CB -1.001 31.505 32.500 0.010 0.000 0.717 355 K HN 0.478 nan 8.250 nan 0.000 0.442 356 A N 0.284 123.133 122.820 0.048 0.000 1.933 356 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 356 A C 2.205 179.836 177.584 0.077 0.000 1.175 356 A CA 1.314 53.379 52.037 0.047 0.000 0.628 356 A CB -0.710 18.312 19.000 0.037 0.000 0.814 356 A HN 0.373 nan 8.150 nan 0.000 0.444 357 Y N 0.215 120.513 120.300 -0.003 0.000 2.220 357 Y HA -0.196 4.354 4.550 -0.001 0.000 0.291 357 Y C 2.614 178.516 175.900 0.003 0.000 1.129 357 Y CA 2.132 60.237 58.100 0.008 0.000 1.161 357 Y CB -0.169 38.297 38.460 0.010 0.000 0.997 357 Y HN 0.412 nan 8.280 nan 0.000 0.522 358 Q N -0.308 119.617 119.800 0.208 0.000 2.084 358 Q HA -0.197 4.143 4.340 -0.001 0.000 0.202 358 Q C 2.293 178.316 176.000 0.039 0.000 0.978 358 Q CA 1.534 57.409 55.803 0.120 0.000 0.844 358 Q CB -0.161 28.637 28.738 0.100 0.000 0.898 358 Q HN 0.428 nan 8.270 nan 0.000 0.426 359 R N -0.870 119.645 120.500 0.026 0.000 2.148 359 R HA -0.055 4.285 4.340 -0.001 0.000 0.227 359 R C 1.109 177.394 176.300 -0.025 0.000 1.103 359 R CA 0.873 56.974 56.100 0.001 0.000 0.983 359 R CB 0.055 30.357 30.300 0.004 0.000 0.874 359 R HN 0.453 nan 8.270 nan 0.000 0.451 360 G N 0.126 108.894 108.800 -0.055 0.000 2.131 360 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.223 360 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.223 360 G C 0.604 175.468 174.900 -0.061 0.000 0.990 360 G CA 0.543 45.590 45.100 -0.088 0.000 0.671 360 G HN 0.456 nan 8.290 nan 0.000 0.521 361 S N -1.165 114.512 115.700 -0.037 0.000 2.539 361 S HA 0.708 5.178 4.470 -0.001 0.000 0.221 361 S C 1.186 175.779 174.600 -0.011 0.000 0.987 361 S CA 1.098 59.287 58.200 -0.020 0.000 0.929 361 S CB 0.736 63.931 63.200 -0.009 0.000 0.832 361 S HN 1.845 nan 8.310 nan 0.000 0.492 362 A N 2.871 125.681 122.820 -0.015 0.000 2.425 362 A HA 0.531 4.851 4.320 -0.001 0.000 0.249 362 A C 0.910 178.498 177.584 0.006 0.000 1.084 362 A CA -0.087 51.958 52.037 0.013 0.000 0.781 362 A CB -0.200 18.832 19.000 0.053 0.000 1.019 362 A HN 0.618 nan 8.150 nan 0.000 0.490 363 T N 0.302 114.870 114.554 0.022 0.000 2.802 363 T HA 0.183 4.533 4.350 -0.001 0.000 0.305 363 T C 1.360 176.082 174.700 0.036 0.000 1.053 363 T CA 0.448 62.560 62.100 0.021 0.000 1.058 363 T CB 0.127 69.008 68.868 0.021 0.000 0.988 363 T HN 0.588 nan 8.240 nan 0.000 0.539 364 T N 1.736 116.311 114.554 0.034 0.000 2.635 364 T HA -0.161 4.189 4.350 -0.001 0.000 0.267 364 T C 2.405 177.144 174.700 0.065 0.000 1.040 364 T CA 1.775 63.907 62.100 0.053 0.000 1.156 364 T CB -1.011 67.881 68.868 0.041 0.000 0.863 364 T HN 0.832 nan 8.240 nan 0.000 0.430 365 A N 1.121 123.965 122.820 0.041 0.000 1.940 365 A HA -0.201 4.119 4.320 -0.001 0.000 0.219 365 A C 2.278 179.896 177.584 0.056 0.000 1.176 365 A CA 1.779 53.835 52.037 0.032 0.000 0.631 365 A CB -0.654 18.354 19.000 0.013 0.000 0.814 365 A HN 0.602 nan 8.150 nan 0.000 0.446 366 Q N -0.472 119.370 119.800 0.070 0.000 2.123 366 Q HA -0.105 4.235 4.340 -0.001 0.000 0.199 366 Q C 2.050 178.153 176.000 0.171 0.000 0.966 366 Q CA 1.435 57.295 55.803 0.096 0.000 0.845 366 Q CB -0.144 28.642 28.738 0.080 0.000 0.907 366 Q HN 0.629 nan 8.270 nan 0.000 0.439 367 K N 0.227 120.752 120.400 0.208 0.000 2.063 367 K HA -0.117 4.203 4.320 -0.001 0.000 0.208 367 K C 2.087 178.899 176.600 0.352 0.000 1.048 367 K CA 0.865 57.385 56.287 0.388 0.000 0.928 367 K CB -0.001 32.668 32.500 0.281 0.000 0.713 367 K HN 0.031 nan 8.250 nan 0.000 0.442 368 R N 1.181 121.805 120.500 0.206 0.000 2.096 368 R HA -0.123 4.217 4.340 -0.001 0.000 0.235 368 R C 2.083 178.425 176.300 0.070 0.000 1.127 368 R CA 1.207 57.370 56.100 0.105 0.000 0.968 368 R CB -0.537 29.766 30.300 0.005 0.000 0.861 368 R HN 0.464 nan 8.270 nan 0.000 0.440 369 E N 0.417 120.664 120.200 0.078 0.000 2.038 369 E HA -0.196 4.153 4.350 -0.001 0.000 0.195 369 E C 1.865 178.498 176.600 0.054 0.000 1.000 369 E CA 1.110 57.546 56.400 0.059 0.000 0.803 369 E CB -0.087 29.649 29.700 0.061 0.000 0.750 369 E HN 0.072 nan 8.360 nan 0.000 0.448 370 L N 1.475 122.732 121.223 0.056 0.000 2.046 370 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 370 L C 1.946 178.797 176.870 -0.033 0.000 1.077 370 L CA 1.884 56.697 54.840 -0.044 0.000 0.747 370 L CB -0.315 41.632 42.059 -0.186 0.000 0.896 370 L HN 0.151 nan 8.230 nan 0.000 0.432 371 E N -1.595 118.639 120.200 0.056 0.000 2.077 371 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 371 E C 2.049 178.733 176.600 0.139 0.000 0.989 371 E CA 1.706 58.189 56.400 0.138 0.000 0.800 371 E CB -0.242 29.651 29.700 0.321 0.000 0.746 371 E HN 0.428 nan 8.360 nan 0.000 0.452 372 T N 0.790 115.393 114.554 0.081 0.000 2.857 372 T HA -0.030 4.319 4.350 -0.001 0.000 0.266 372 T C 1.802 176.609 174.700 0.179 0.000 1.048 372 T CA 0.585 62.739 62.100 0.090 0.000 1.139 372 T CB -0.048 68.811 68.868 -0.014 0.000 0.874 372 T HN 0.046 nan 8.240 nan 0.000 0.455 373 L N 0.433 121.725 121.223 0.116 0.000 2.056 373 L HA -0.056 4.283 4.340 -0.001 0.000 0.207 373 L C 2.585 179.526 176.870 0.118 0.000 1.078 373 L CA 0.881 55.781 54.840 0.100 0.000 0.749 373 L CB -0.490 41.576 42.059 0.012 0.000 0.901 373 L HN 0.149 nan 8.230 nan 0.000 0.433 374 V N -0.897 119.079 119.914 0.104 0.000 2.343 374 V HA -0.336 3.783 4.120 -0.001 0.000 0.247 374 V C 2.214 178.438 176.094 0.218 0.000 1.051 374 V CA 1.842 64.226 62.300 0.141 0.000 1.036 374 V CB -0.678 31.190 31.823 0.075 0.000 0.654 374 V HN 0.417 nan 8.190 nan 0.000 0.451 375 Y N 1.543 121.925 120.300 0.135 0.000 2.081 375 Y HA -0.318 4.232 4.550 -0.001 0.000 0.280 375 Y C 2.512 178.523 175.900 0.184 0.000 1.163 375 Y CA 2.182 60.372 58.100 0.151 0.000 1.135 375 Y CB -0.278 38.250 38.460 0.114 0.000 0.970 375 Y HN 0.155 nan 8.280 nan 0.000 0.498 376 K N -1.283 119.250 120.400 0.222 0.000 2.147 376 K HA -0.217 4.103 4.320 -0.001 0.000 0.205 376 K C 1.967 178.757 176.600 0.316 0.000 1.049 376 K CA 1.385 57.793 56.287 0.202 0.000 0.936 376 K CB -0.515 32.201 32.500 0.359 0.000 0.722 376 K HN 0.333 nan 8.250 nan 0.000 0.446 377 Y N 1.415 121.801 120.300 0.144 0.000 2.224 377 Y HA -0.120 4.429 4.550 -0.001 0.000 0.289 377 Y C 2.292 178.302 175.900 0.183 0.000 1.146 377 Y CA 1.207 59.407 58.100 0.167 0.000 1.182 377 Y CB -0.855 37.641 38.460 0.060 0.000 0.983 377 Y HN 0.063 nan 8.280 nan 0.000 0.524 378 G N -0.246 108.637 108.800 0.139 0.000 2.442 378 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.219 378 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.219 378 G C 1.904 176.922 174.900 0.195 0.000 1.141 378 G CA 0.837 45.971 45.100 0.055 0.000 0.763 378 G HN 0.346 nan 8.290 nan 0.000 0.554 379 R N -1.121 119.439 120.500 0.100 0.000 2.062 379 R HA -0.023 4.316 4.340 -0.001 0.000 0.229 379 R C 2.309 178.780 176.300 0.285 0.000 1.128 379 R CA 1.147 57.319 56.100 0.119 0.000 0.960 379 R CB -0.687 29.599 30.300 -0.023 0.000 0.855 379 R HN 0.466 nan 8.270 nan 0.000 0.432 380 Y N 1.904 122.403 120.300 0.331 0.000 2.069 380 Y HA -0.272 4.278 4.550 -0.001 0.000 0.278 380 Y C 1.951 178.034 175.900 0.306 0.000 1.175 380 Y CA 1.732 60.071 58.100 0.398 0.000 1.134 380 Y CB -0.328 38.396 38.460 0.439 0.000 0.965 380 Y HN -0.035 nan 8.280 nan 0.000 0.498 381 L N -0.866 120.529 121.223 0.287 0.000 2.201 381 L HA -0.204 4.136 4.340 -0.001 0.000 0.212 381 L C 2.299 179.441 176.870 0.454 0.000 1.105 381 L CA 1.509 56.508 54.840 0.265 0.000 0.775 381 L CB -0.779 41.281 42.059 0.002 0.000 0.913 381 L HN 0.257 nan 8.230 nan 0.000 0.440 382 T N 0.316 115.122 114.554 0.420 0.000 2.674 382 T HA -0.168 4.181 4.350 -0.001 0.000 0.265 382 T C 1.907 176.646 174.700 0.064 0.000 1.039 382 T CA 1.467 63.641 62.100 0.123 0.000 1.150 382 T CB -0.230 68.604 68.868 -0.057 0.000 0.864 382 T HN 0.195 nan 8.240 nan 0.000 0.427 383 I N 1.280 121.888 120.570 0.063 0.000 2.208 383 I HA -0.133 4.036 4.170 -0.001 0.000 0.245 383 I C 2.853 179.020 176.117 0.083 0.000 1.097 383 I CA 1.383 62.708 61.300 0.041 0.000 1.363 383 I CB -0.647 37.353 38.000 -0.001 0.000 1.051 383 I HN 0.323 nan 8.210 nan 0.000 0.413 384 G N -0.281 108.580 108.800 0.102 0.000 2.443 384 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.219 384 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.219 384 G C 1.618 176.580 174.900 0.104 0.000 1.131 384 G CA 1.066 46.316 45.100 0.252 0.000 0.775 384 G HN 0.525 nan 8.290 nan 0.000 0.547 385 S N -2.347 113.376 115.700 0.038 0.000 2.559 385 S HA 0.382 4.852 4.470 -0.001 0.000 0.226 385 S C 0.636 175.175 174.600 -0.101 0.000 1.030 385 S CA 0.549 58.635 58.200 -0.190 0.000 0.956 385 S CB 0.647 63.728 63.200 -0.198 0.000 0.900 385 S HN 0.160 nan 8.310 nan 0.000 0.510 386 S N 1.768 117.446 115.700 -0.037 0.000 2.356 386 S HA 0.510 4.980 4.470 -0.001 0.000 0.171 386 S C -0.925 173.684 174.600 0.015 0.000 1.399 386 S CA -0.678 57.516 58.200 -0.010 0.000 1.225 386 S CB 0.189 63.368 63.200 -0.035 0.000 1.271 386 S HN 0.258 nan 8.310 nan 0.000 0.427 387 R N 2.051 122.567 120.500 0.026 0.000 2.596 387 R HA 0.358 4.698 4.340 -0.001 0.000 0.267 387 R C 1.642 177.967 176.300 0.042 0.000 1.026 387 R CA -0.698 55.426 56.100 0.041 0.000 1.087 387 R CB 0.473 30.808 30.300 0.058 0.000 1.132 387 R HN 0.721 nan 8.270 nan 0.000 0.531 388 E N 1.214 121.440 120.200 0.044 0.000 2.219 388 E HA -0.221 4.128 4.350 -0.001 0.000 0.198 388 E C 0.463 177.089 176.600 0.043 0.000 0.998 388 E CA 1.517 57.942 56.400 0.042 0.000 0.818 388 E CB -0.141 29.585 29.700 0.043 0.000 0.741 388 E HN 0.568 nan 8.360 nan 0.000 0.477 389 N N 0.792 119.522 118.700 0.050 0.000 2.235 389 N HA 0.016 4.756 4.740 -0.001 0.000 0.209 389 N C -0.352 175.193 175.510 0.058 0.000 1.122 389 N CA -0.270 52.813 53.050 0.055 0.000 0.845 389 N CB 0.188 38.712 38.487 0.061 0.000 1.004 389 N HN -0.168 nan 8.380 nan 0.000 0.499 390 S N 0.963 116.693 115.700 0.049 0.000 2.560 390 S HA 0.028 4.497 4.470 -0.001 0.000 0.284 390 S C 1.154 175.790 174.600 0.059 0.000 1.327 390 S CA -0.281 57.946 58.200 0.045 0.000 1.055 390 S CB 1.016 64.231 63.200 0.024 0.000 0.868 390 S HN 0.351 nan 8.310 nan 0.000 0.506 391 Q N 0.858 120.708 119.800 0.082 0.000 2.331 391 Q HA 0.187 4.526 4.340 -0.001 0.000 0.203 391 Q C -0.204 175.858 176.000 0.104 0.000 0.944 391 Q CA 0.727 56.605 55.803 0.126 0.000 0.892 391 Q CB 0.031 28.901 28.738 0.220 0.000 0.983 391 Q HN 0.515 nan 8.270 nan 0.000 0.482 392 L N 0.657 121.906 121.223 0.043 0.000 2.393 392 L HA 0.469 4.809 4.340 -0.001 0.000 0.260 392 L C -2.436 174.411 176.870 -0.038 0.000 1.002 392 L CA -2.519 52.311 54.840 -0.017 0.000 0.818 392 L CB 2.277 44.349 42.059 0.021 0.000 1.369 392 L HN -0.148 nan 8.230 nan 0.000 0.412 393 P HA 0.107 nan 4.420 nan 0.000 0.277 393 P C -0.766 176.609 177.300 0.124 0.000 1.276 393 P CA -0.500 62.588 63.100 -0.019 0.000 0.788 393 P CB 0.459 32.031 31.700 -0.214 0.000 1.114 394 S N 0.118 115.889 115.700 0.119 0.000 2.549 394 S HA 0.097 4.566 4.470 -0.001 0.000 0.286 394 S C 0.481 175.106 174.600 0.041 0.000 1.314 394 S CA -0.444 57.752 58.200 -0.006 0.000 1.062 394 S CB -0.820 62.295 63.200 -0.142 0.000 0.865 394 S HN 0.572 nan 8.310 nan 0.000 0.498 395 N N 2.709 121.299 118.700 -0.183 0.000 2.514 395 N HA 0.280 5.019 4.740 -0.001 0.000 0.299 395 N C 0.887 176.238 175.510 -0.265 0.000 1.292 395 N CA -0.896 51.907 53.050 -0.412 0.000 0.963 395 N CB -0.331 37.638 38.487 -0.864 0.000 1.124 395 N HN 0.487 nan 8.380 nan 0.000 0.580 396 L N -1.574 119.468 121.223 -0.302 0.000 2.261 396 L HA -0.141 4.199 4.340 -0.001 0.000 0.216 396 L C 1.157 177.820 176.870 -0.346 0.000 1.114 396 L CA 1.438 56.117 54.840 -0.267 0.000 0.777 396 L CB -0.430 41.492 42.059 -0.228 0.000 0.910 396 L HN 0.591 nan 8.230 nan 0.000 0.440 397 Q N -1.454 118.167 119.800 -0.298 0.000 2.135 397 Q HA 0.234 4.574 4.340 -0.001 0.000 0.222 397 Q C 1.166 177.211 176.000 0.076 0.000 0.808 397 Q CA 0.360 55.990 55.803 -0.289 0.000 1.049 397 Q CB 1.369 30.077 28.738 -0.049 0.000 1.168 397 Q HN 0.449 nan 8.270 nan 0.000 0.483 398 G N 2.715 111.513 108.800 -0.004 0.000 3.377 398 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.304 398 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.304 398 G C 0.638 175.360 174.900 -0.297 0.000 1.366 398 G CA 0.542 45.664 45.100 0.036 0.000 1.020 398 G HN 0.531 nan 8.290 nan 0.000 0.621 399 I N -4.485 115.743 120.570 -0.569 0.000 4.390 399 I HA 0.462 4.632 4.170 -0.001 0.000 0.334 399 I C -0.182 175.767 176.117 -0.280 0.000 1.379 399 I CA -0.656 60.286 61.300 -0.596 0.000 1.197 399 I CB 0.394 37.922 38.000 -0.786 0.000 1.396 399 I HN 0.274 nan 8.210 nan 0.000 0.511 400 W N 3.590 125.073 121.300 0.306 0.000 2.376 400 W HA 0.646 5.305 4.660 -0.001 0.000 0.312 400 W C 0.073 176.952 176.519 0.600 0.000 1.060 400 W CA -0.571 57.042 57.345 0.447 0.000 1.221 400 W CB 1.644 31.413 29.460 0.515 0.000 1.281 400 W HN 0.233 nan 8.180 nan 0.000 0.456 401 S N 0.755 116.728 115.700 0.456 0.000 2.550 401 S HA 0.471 4.941 4.470 -0.001 0.000 0.270 401 S C -0.995 173.197 174.600 -0.682 0.000 1.145 401 S CA -0.684 57.468 58.200 -0.081 0.000 0.852 401 S CB 2.557 65.727 63.200 -0.049 0.000 1.119 401 S HN 0.215 nan 8.310 nan 0.000 0.465 402 V N 1.256 120.471 119.914 -1.165 0.000 3.572 402 V HA 0.277 4.397 4.120 -0.001 0.000 0.260 402 V C 0.761 176.577 176.094 -0.462 0.000 1.324 402 V CA 1.426 63.173 62.300 -0.922 0.000 1.068 402 V CB 0.107 31.153 31.823 -1.295 0.000 0.837 402 V HN 1.163 nan 8.190 nan 0.000 0.450 403 T N 0.311 114.616 114.554 -0.415 0.000 2.910 403 T HA 0.768 5.117 4.350 -0.001 0.000 0.293 403 T C -0.267 174.266 174.700 -0.278 0.000 1.015 403 T CA 0.194 62.101 62.100 -0.321 0.000 1.094 403 T CB 1.673 70.322 68.868 -0.366 0.000 0.968 403 T HN 0.794 nan 8.240 nan 0.000 0.521 404 A N 0.981 123.673 122.820 -0.213 0.000 2.547 404 A HA 0.932 5.251 4.320 -0.001 0.000 0.297 404 A C -0.144 177.365 177.584 -0.126 0.000 1.056 404 A CA -0.394 51.542 52.037 -0.169 0.000 0.688 404 A CB 1.624 20.613 19.000 -0.017 0.000 1.282 404 A HN 1.571 nan 8.150 nan 0.000 0.400 405 G N -0.345 108.373 108.800 -0.138 0.000 2.559 405 G HA2 0.506 4.466 3.960 -0.001 0.000 0.291 405 G HA3 0.506 4.466 3.960 -0.001 0.000 0.291 405 G C -0.696 174.139 174.900 -0.108 0.000 1.424 405 G CA -0.256 44.788 45.100 -0.093 0.000 0.786 405 G HN 0.392 nan 8.290 nan 0.000 0.485 406 D N -0.326 120.033 120.400 -0.069 0.000 2.183 406 D HA -0.003 4.636 4.640 -0.001 0.000 0.205 406 D C 0.335 176.583 176.300 -0.087 0.000 0.962 406 D CA 0.850 54.807 54.000 -0.072 0.000 0.849 406 D CB 0.284 41.065 40.800 -0.031 0.000 0.978 406 D HN 0.214 nan 8.370 nan 0.000 0.488 407 N N 0.495 119.150 118.700 -0.076 0.000 2.466 407 N HA 0.415 5.155 4.740 -0.001 0.000 0.294 407 N C -0.247 175.202 175.510 -0.100 0.000 1.129 407 N CA -0.424 52.588 53.050 -0.064 0.000 0.931 407 N CB 1.560 40.037 38.487 -0.018 0.000 1.193 407 N HN -0.072 nan 8.380 nan 0.000 0.500 408 A N 0.096 122.845 122.820 -0.119 0.000 2.507 408 A HA 0.075 4.395 4.320 -0.001 0.000 0.235 408 A C -0.219 177.280 177.584 -0.142 0.000 1.070 408 A CA 0.278 52.173 52.037 -0.237 0.000 0.768 408 A CB -0.742 18.070 19.000 -0.314 0.000 1.011 408 A HN 0.956 nan 8.150 nan 0.000 0.502 409 H N -0.723 118.309 119.070 -0.063 0.000 2.692 409 H HA -0.196 4.360 4.556 -0.001 0.000 0.316 409 H C 0.977 176.239 175.328 -0.110 0.000 1.176 409 H CA 0.896 56.886 56.048 -0.096 0.000 1.142 409 H CB -1.585 28.148 29.762 -0.049 0.000 1.475 409 H HN 1.032 nan 8.280 nan 0.000 0.423 410 G N -0.226 108.527 108.800 -0.078 0.000 3.110 410 G HA2 0.030 3.990 3.960 -0.001 0.000 0.207 410 G HA3 0.030 3.990 3.960 -0.001 0.000 0.207 410 G C 1.137 175.951 174.900 -0.143 0.000 1.841 410 G CA 0.030 45.075 45.100 -0.090 0.000 0.751 410 G HN 0.243 nan 8.290 nan 0.000 0.771 411 N N 0.353 118.955 118.700 -0.164 0.000 2.446 411 N HA 0.115 4.855 4.740 -0.001 0.000 0.179 411 N C -0.043 175.311 175.510 -0.259 0.000 1.054 411 N CA 0.498 53.430 53.050 -0.197 0.000 0.905 411 N CB 0.369 38.750 38.487 -0.177 0.000 0.973 411 N HN 0.200 nan 8.380 nan 0.000 0.448 412 T N 2.228 116.630 114.554 -0.253 0.000 2.807 412 T HA 0.365 4.715 4.350 -0.001 0.000 0.279 412 T C -2.760 171.783 174.700 -0.262 0.000 0.993 412 T CA -1.503 60.441 62.100 -0.259 0.000 0.970 412 T CB 2.493 71.212 68.868 -0.248 0.000 0.950 412 T HN -0.131 nan 8.240 nan 0.000 0.441 413 P HA 0.006 nan 4.420 nan 0.000 0.266 413 P C 0.201 177.356 177.300 -0.241 0.000 1.215 413 P CA 0.012 62.815 63.100 -0.495 0.000 0.763 413 P CB 0.077 31.495 31.700 -0.470 0.000 0.806 414 W N 2.646 123.861 121.300 -0.141 0.000 5.271 414 W HA -0.186 4.473 4.660 -0.001 0.000 0.364 414 W C 1.175 177.592 176.519 -0.169 0.000 1.342 414 W CA 1.200 58.456 57.345 -0.149 0.000 0.899 414 W CB -2.752 26.535 29.460 -0.289 0.000 2.450 414 W HN 0.839 nan 8.180 nan 0.000 1.508 415 G N -0.161 108.577 108.800 -0.103 0.000 2.244 415 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.274 415 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.274 415 G C 0.753 175.522 174.900 -0.219 0.000 1.002 415 G CA 1.649 46.630 45.100 -0.198 0.000 0.740 415 G HN 1.525 nan 8.290 nan 0.000 0.516 416 S N -0.618 115.013 115.700 -0.115 0.000 3.549 416 S HA -0.225 4.245 4.470 -0.001 0.000 0.366 416 S C 0.878 175.318 174.600 -0.266 0.000 1.012 416 S CA 2.010 60.122 58.200 -0.147 0.000 1.141 416 S CB -1.493 61.657 63.200 -0.083 0.000 0.910 416 S HN 1.648 nan 8.310 nan 0.000 0.471 417 D N 0.002 120.326 120.400 -0.126 0.000 2.496 417 D HA 0.448 5.087 4.640 -0.001 0.000 0.283 417 D C -0.030 176.089 176.300 -0.302 0.000 1.214 417 D CA -0.602 53.372 54.000 -0.043 0.000 1.089 417 D CB -0.136 40.815 40.800 0.252 0.000 1.141 417 D HN 0.238 nan 8.370 nan 0.000 0.580 418 F N -0.278 119.771 119.950 0.164 0.000 2.313 418 F HA 0.220 4.747 4.527 -0.001 0.000 0.369 418 F C 0.457 176.282 175.800 0.042 0.000 1.109 418 F CA -0.570 57.429 58.000 -0.001 0.000 1.132 418 F CB 0.433 39.343 39.000 -0.149 0.000 1.291 418 F HN 0.164 nan 8.300 nan 0.000 0.496 419 H N 5.004 124.082 119.070 0.014 0.000 2.741 419 H HA 0.257 4.812 4.556 -0.001 0.000 0.282 419 H C 0.147 175.412 175.328 -0.105 0.000 1.122 419 H CA -0.051 55.967 56.048 -0.050 0.000 1.293 419 H CB 1.247 30.892 29.762 -0.194 0.000 1.415 419 H HN 0.689 nan 8.280 nan 0.000 0.472 420 M N 3.761 123.322 119.600 -0.066 0.000 2.637 420 M HA 0.044 4.524 4.480 -0.001 0.000 0.286 420 M C 0.169 176.385 176.300 -0.140 0.000 1.246 420 M CA 0.088 55.329 55.300 -0.098 0.000 0.978 420 M CB 0.060 32.658 32.600 -0.002 0.000 1.417 420 M HN 0.248 nan 8.290 nan 0.000 0.487 421 N N -0.404 118.215 118.700 -0.134 0.000 2.416 421 N HA 0.231 4.970 4.740 -0.001 0.000 0.267 421 N C 0.048 175.459 175.510 -0.165 0.000 1.294 421 N CA 0.036 53.083 53.050 -0.005 0.000 0.891 421 N CB 1.038 39.639 38.487 0.190 0.000 1.238 421 N HN 0.243 nan 8.380 nan 0.000 0.508 422 V N -1.121 118.398 119.914 -0.658 0.000 2.979 422 V HA -0.111 4.009 4.120 -0.001 0.000 0.260 422 V C 0.376 176.044 176.094 -0.711 0.000 2.285 422 V CA 0.823 62.681 62.300 -0.736 0.000 2.571 422 V CB -1.071 30.606 31.823 -0.243 0.000 0.965 422 V HN 0.215 nan 8.190 nan 0.000 0.843 423 N N 1.010 119.360 118.700 -0.584 0.000 2.109 423 N HA -0.036 4.704 4.740 -0.001 0.000 0.188 423 N C 1.410 176.682 175.510 -0.397 0.000 1.034 423 N CA 1.877 54.620 53.050 -0.511 0.000 0.846 423 N CB -0.199 38.011 38.487 -0.461 0.000 1.010 423 N HN 0.533 nan 8.380 nan 0.000 0.425 424 L N 1.040 122.085 121.223 -0.296 0.000 2.083 424 L HA -0.115 4.225 4.340 -0.001 0.000 0.209 424 L C 1.866 178.592 176.870 -0.240 0.000 1.083 424 L CA 1.651 56.385 54.840 -0.177 0.000 0.752 424 L CB -0.605 41.401 42.059 -0.089 0.000 0.899 424 L HN 0.082 nan 8.230 nan 0.000 0.433 425 Q N -0.990 118.536 119.800 -0.457 0.000 2.045 425 Q HA -0.283 4.057 4.340 -0.001 0.000 0.206 425 Q C 2.331 177.825 176.000 -0.843 0.000 0.991 425 Q CA 2.657 58.142 55.803 -0.529 0.000 0.851 425 Q CB -0.486 27.755 28.738 -0.830 0.000 0.911 425 Q HN 0.577 nan 8.270 nan 0.000 0.418 426 M N 0.204 119.082 119.600 -1.204 0.000 2.159 426 M HA -0.210 4.269 4.480 -0.001 0.000 0.263 426 M C 0.959 176.966 176.300 -0.488 0.000 1.063 426 M CA 1.403 55.904 55.300 -1.333 0.000 1.110 426 M CB -0.033 31.979 32.600 -0.980 0.000 1.374 426 M HN 0.173 nan 8.290 nan 0.000 0.411 427 N N -0.166 118.314 118.700 -0.368 0.000 2.192 427 N HA -0.188 4.552 4.740 -0.001 0.000 0.188 427 N C 0.364 175.302 175.510 -0.954 0.000 1.013 427 N CA 1.457 54.177 53.050 -0.550 0.000 0.863 427 N CB -0.349 37.833 38.487 -0.507 0.000 0.990 427 N HN 0.536 nan 8.380 nan 0.000 0.430 428 Y N -2.001 118.087 120.300 -0.354 0.000 2.681 428 Y HA 0.177 4.726 4.550 -0.001 0.000 0.267 428 Y C 0.689 176.605 175.900 0.026 0.000 1.166 428 Y CA -0.878 57.072 58.100 -0.249 0.000 1.209 428 Y CB -0.012 38.319 38.460 -0.216 0.000 1.161 428 Y HN 0.023 nan 8.280 nan 0.000 0.534 429 W N 1.410 122.746 121.300 0.059 0.000 2.418 429 W HA 0.014 4.673 4.660 -0.001 0.000 0.292 429 W C -0.710 175.885 176.519 0.127 0.000 1.213 429 W CA 0.529 57.989 57.345 0.192 0.000 1.283 429 W CB -1.756 27.911 29.460 0.345 0.000 1.119 429 W HN 0.111 nan 8.180 nan 0.000 0.542 430 P HA 0.088 nan 4.420 nan 0.000 0.261 430 P C 1.181 178.442 177.300 -0.065 0.000 1.268 430 P CA 0.990 64.165 63.100 0.125 0.000 0.833 430 P CB 0.129 31.906 31.700 0.128 0.000 1.231 431 T N -0.581 113.825 114.554 -0.245 0.000 2.746 431 T HA -0.148 4.201 4.350 -0.001 0.000 0.267 431 T C 1.382 175.790 174.700 -0.488 0.000 1.039 431 T CA 1.691 63.529 62.100 -0.436 0.000 1.142 431 T CB -0.737 67.784 68.868 -0.579 0.000 0.866 431 T HN 0.111 nan 8.240 nan 0.000 0.444 432 Y N 1.753 121.900 120.300 -0.255 0.000 2.201 432 Y HA 0.030 4.579 4.550 -0.001 0.000 0.292 432 Y C 3.044 178.664 175.900 -0.467 0.000 1.119 432 Y CA 0.602 58.365 58.100 -0.561 0.000 1.127 432 Y CB -1.102 36.535 38.460 -1.373 0.000 1.019 432 Y HN 0.239 nan 8.280 nan 0.000 0.514 433 S N 0.380 115.952 115.700 -0.213 0.000 2.399 433 S HA -0.108 4.361 4.470 -0.001 0.000 0.231 433 S C 1.827 176.505 174.600 0.131 0.000 1.022 433 S CA 0.861 59.118 58.200 0.095 0.000 0.983 433 S CB -0.703 62.646 63.200 0.249 0.000 0.803 433 S HN 0.315 nan 8.310 nan 0.000 0.480 434 A N 1.034 123.903 122.820 0.081 0.000 2.415 434 A HA 0.403 4.722 4.320 -0.001 0.000 0.248 434 A C 0.728 178.342 177.584 0.048 0.000 1.299 434 A CA -0.059 52.040 52.037 0.104 0.000 0.899 434 A CB -0.752 18.288 19.000 0.068 0.000 0.997 434 A HN 0.487 nan 8.150 nan 0.000 0.506 435 N N -0.891 117.831 118.700 0.037 0.000 2.780 435 N HA -0.145 4.595 4.740 -0.001 0.000 0.247 435 N C -0.056 175.459 175.510 0.008 0.000 1.076 435 N CA 1.188 54.262 53.050 0.040 0.000 0.688 435 N CB -1.501 37.022 38.487 0.061 0.000 0.957 435 N HN 0.615 nan 8.380 nan 0.000 0.551 436 M N -1.363 118.220 119.600 -0.029 0.000 3.002 436 M HA 0.281 4.761 4.480 -0.001 0.000 0.398 436 M C 1.711 177.982 176.300 -0.048 0.000 1.366 436 M CA 0.052 55.327 55.300 -0.041 0.000 0.824 436 M CB 0.601 33.160 32.600 -0.068 0.000 1.414 436 M HN 0.161 nan 8.290 nan 0.000 0.501 437 G N 1.687 110.499 108.800 0.019 0.000 2.505 437 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.220 437 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.220 437 G C 1.416 176.384 174.900 0.114 0.000 1.145 437 G CA 1.457 46.639 45.100 0.137 0.000 0.761 437 G HN 0.660 nan 8.290 nan 0.000 0.571 438 E N 0.946 121.190 120.200 0.072 0.000 2.338 438 E HA -0.042 4.308 4.350 -0.001 0.000 0.197 438 E C 2.201 178.829 176.600 0.047 0.000 1.007 438 E CA 0.372 56.812 56.400 0.066 0.000 0.849 438 E CB -0.463 29.268 29.700 0.052 0.000 0.774 438 E HN 0.495 nan 8.360 nan 0.000 0.506 439 L N 0.519 121.754 121.223 0.021 0.000 2.622 439 L HA 0.098 4.438 4.340 -0.001 0.000 0.233 439 L C 2.270 179.178 176.870 0.063 0.000 1.156 439 L CA 0.610 55.462 54.840 0.020 0.000 0.866 439 L CB -0.360 41.688 42.059 -0.018 0.000 0.980 439 L HN 0.137 nan 8.230 nan 0.000 0.448 440 A N -0.168 122.673 122.820 0.035 0.000 2.218 440 A HA -0.101 4.219 4.320 -0.001 0.000 0.209 440 A C 2.096 179.648 177.584 -0.052 0.000 1.168 440 A CA 0.608 52.642 52.037 -0.005 0.000 0.804 440 A CB -0.075 18.931 19.000 0.009 0.000 0.834 440 A HN 0.314 nan 8.150 nan 0.000 0.482 441 E N 1.465 121.671 120.200 0.010 0.000 2.070 441 E HA -0.156 4.193 4.350 -0.001 0.000 0.197 441 E C -0.656 175.923 176.600 -0.035 0.000 1.004 441 E CA 2.326 58.727 56.400 0.003 0.000 0.805 441 E CB -0.881 28.834 29.700 0.026 0.000 0.744 441 E HN 0.468 nan 8.360 nan 0.000 0.451 442 P HA -0.132 nan 4.420 nan 0.000 0.220 442 P C 1.556 178.771 177.300 -0.143 0.000 1.148 442 P CA 0.824 63.891 63.100 -0.055 0.000 0.803 442 P CB -0.029 31.659 31.700 -0.021 0.000 0.782 443 L N -0.188 120.842 121.223 -0.321 0.000 2.027 443 L HA -0.087 4.253 4.340 -0.001 0.000 0.206 443 L C 2.496 179.254 176.870 -0.187 0.000 1.074 443 L CA 1.604 56.176 54.840 -0.446 0.000 0.745 443 L CB -1.227 40.250 42.059 -0.970 0.000 0.898 443 L HN -0.203 nan 8.230 nan 0.000 0.433 444 I N -0.490 120.001 120.570 -0.132 0.000 2.163 444 I HA -0.313 3.856 4.170 -0.001 0.000 0.243 444 I C 2.539 178.625 176.117 -0.051 0.000 1.085 444 I CA 1.806 63.073 61.300 -0.054 0.000 1.347 444 I CB -0.503 37.491 38.000 -0.010 0.000 1.044 444 I HN 0.435 nan 8.210 nan 0.000 0.408 445 E N 0.492 120.666 120.200 -0.044 0.000 2.110 445 E HA -0.290 4.060 4.350 -0.001 0.000 0.193 445 E C 2.289 178.858 176.600 -0.051 0.000 0.988 445 E CA 1.324 57.699 56.400 -0.041 0.000 0.804 445 E CB -0.186 29.504 29.700 -0.018 0.000 0.745 445 E HN 0.494 nan 8.360 nan 0.000 0.458 446 Y N 0.748 120.938 120.300 -0.183 0.000 2.128 446 Y HA -0.246 4.304 4.550 -0.001 0.000 0.284 446 Y C 2.106 177.885 175.900 -0.202 0.000 1.154 446 Y CA 1.725 59.685 58.100 -0.234 0.000 1.149 446 Y CB -0.295 37.947 38.460 -0.363 0.000 0.976 446 Y HN -0.086 nan 8.280 nan 0.000 0.505 447 V N 0.418 120.272 119.914 -0.100 0.000 2.358 447 V HA -0.276 3.843 4.120 -0.001 0.000 0.246 447 V C 2.125 178.077 176.094 -0.236 0.000 1.047 447 V CA 2.192 64.409 62.300 -0.139 0.000 1.035 447 V CB -0.629 31.180 31.823 -0.024 0.000 0.658 447 V HN 0.406 nan 8.190 nan 0.000 0.452 448 E N 0.483 120.560 120.200 -0.205 0.000 2.085 448 E HA -0.199 4.150 4.350 -0.001 0.000 0.194 448 E C 2.278 178.702 176.600 -0.293 0.000 0.994 448 E CA 1.335 57.585 56.400 -0.250 0.000 0.801 448 E CB -0.476 29.126 29.700 -0.163 0.000 0.743 448 E HN 0.655 nan 8.360 nan 0.000 0.453 449 G N 0.718 109.355 108.800 -0.272 0.000 2.509 449 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.218 449 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.218 449 G C 1.430 176.146 174.900 -0.306 0.000 1.124 449 G CA 0.207 45.153 45.100 -0.257 0.000 0.776 449 G HN 0.108 nan 8.290 nan 0.000 0.547 450 L N 0.412 121.404 121.223 -0.386 0.000 2.478 450 L HA 0.036 4.376 4.340 -0.001 0.000 0.223 450 L C 2.661 179.343 176.870 -0.314 0.000 1.140 450 L CA -0.204 54.445 54.840 -0.318 0.000 0.842 450 L CB -0.107 41.797 42.059 -0.257 0.000 0.953 450 L HN 0.043 nan 8.230 nan 0.000 0.452 451 V N 0.231 119.860 119.914 -0.474 0.000 2.295 451 V HA -0.285 3.835 4.120 -0.001 0.000 0.246 451 V C 2.466 178.330 176.094 -0.383 0.000 1.049 451 V CA 1.814 63.764 62.300 -0.583 0.000 1.024 451 V CB -0.484 30.905 31.823 -0.723 0.000 0.648 451 V HN 0.442 nan 8.190 nan 0.000 0.447 452 K N 0.334 120.481 120.400 -0.422 0.000 2.002 452 K HA -0.106 4.214 4.320 -0.001 0.000 0.209 452 K C 0.020 176.172 176.600 -0.747 0.000 1.048 452 K CA 1.797 57.749 56.287 -0.558 0.000 0.930 452 K CB -1.510 30.612 32.500 -0.630 0.000 0.714 452 K HN 0.457 nan 8.250 nan 0.000 0.438 453 P HA -0.155 nan 4.420 nan 0.000 0.217 453 P C 1.400 178.561 177.300 -0.232 0.000 1.150 453 P CA 1.785 64.606 63.100 -0.465 0.000 0.832 453 P CB -0.211 31.419 31.700 -0.117 0.000 0.787 454 G N -0.043 108.636 108.800 -0.200 0.000 2.471 454 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.219 454 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.219 454 G C 1.781 176.584 174.900 -0.162 0.000 1.125 454 G CA 0.145 45.169 45.100 -0.127 0.000 0.775 454 G HN 0.238 nan 8.290 nan 0.000 0.548 455 R N -0.298 120.093 120.500 -0.181 0.000 2.115 455 R HA 0.027 4.367 4.340 -0.001 0.000 0.230 455 R C 2.604 178.817 176.300 -0.146 0.000 1.111 455 R CA 0.800 56.791 56.100 -0.183 0.000 0.976 455 R CB -0.298 29.903 30.300 -0.164 0.000 0.870 455 R HN 0.289 nan 8.270 nan 0.000 0.445 456 V N 0.430 120.271 119.914 -0.123 0.000 2.261 456 V HA -0.273 3.846 4.120 -0.001 0.000 0.246 456 V C 2.098 178.172 176.094 -0.034 0.000 1.047 456 V CA 2.320 64.582 62.300 -0.063 0.000 1.015 456 V CB -0.666 31.142 31.823 -0.025 0.000 0.642 456 V HN 0.384 nan 8.190 nan 0.000 0.446 457 T N 0.476 115.022 114.554 -0.013 0.000 2.720 457 T HA -0.189 4.161 4.350 -0.001 0.000 0.268 457 T C 2.054 176.836 174.700 0.136 0.000 1.037 457 T CA 1.690 63.858 62.100 0.114 0.000 1.144 457 T CB -0.488 68.423 68.868 0.072 0.000 0.864 457 T HN 0.580 nan 8.240 nan 0.000 0.444 458 A N 1.498 124.285 122.820 -0.055 0.000 1.933 458 A HA -0.124 4.196 4.320 -0.001 0.000 0.218 458 A C 2.240 179.813 177.584 -0.019 0.000 1.175 458 A CA 1.873 53.850 52.037 -0.100 0.000 0.628 458 A CB -0.516 18.172 19.000 -0.520 0.000 0.814 458 A HN 0.474 nan 8.150 nan 0.000 0.444 459 K N -0.260 120.100 120.400 -0.067 0.000 2.001 459 K HA -0.087 4.232 4.320 -0.001 0.000 0.208 459 K C 1.865 178.437 176.600 -0.046 0.000 1.048 459 K CA 1.665 57.914 56.287 -0.063 0.000 0.932 459 K CB -0.289 32.171 32.500 -0.067 0.000 0.715 459 K HN 0.231 nan 8.250 nan 0.000 0.437 460 V N 0.489 120.361 119.914 -0.070 0.000 2.295 460 V HA -0.236 3.884 4.120 -0.001 0.000 0.246 460 V C 1.859 177.779 176.094 -0.290 0.000 1.049 460 V CA 1.740 63.904 62.300 -0.226 0.000 1.024 460 V CB -0.519 31.077 31.823 -0.378 0.000 0.648 460 V HN 0.326 nan 8.190 nan 0.000 0.447 461 Y N -0.757 119.609 120.300 0.110 0.000 2.503 461 Y HA 0.433 4.982 4.550 -0.001 0.000 0.277 461 Y C 2.077 178.112 175.900 0.225 0.000 1.102 461 Y CA 0.780 59.009 58.100 0.215 0.000 1.261 461 Y CB 0.009 38.712 38.460 0.404 0.000 1.096 461 Y HN 0.179 nan 8.280 nan 0.000 0.546 462 A N -0.987 122.014 122.820 0.303 0.000 2.469 462 A HA 0.512 4.832 4.320 -0.001 0.000 0.245 462 A C 1.730 179.392 177.584 0.130 0.000 1.221 462 A CA 0.454 52.637 52.037 0.243 0.000 0.946 462 A CB -0.469 18.725 19.000 0.323 0.000 1.049 462 A HN 0.433 nan 8.150 nan 0.000 0.529 463 G N -0.765 108.070 108.800 0.058 0.000 2.179 463 G HA2 0.051 4.010 3.960 -0.001 0.000 0.257 463 G HA3 0.051 4.010 3.960 -0.001 0.000 0.257 463 G C 0.392 175.227 174.900 -0.109 0.000 1.010 463 G CA 0.393 45.507 45.100 0.023 0.000 0.736 463 G HN 1.694 nan 8.290 nan 0.000 0.513 464 A N 0.249 122.866 122.820 -0.337 0.000 2.621 464 A HA 0.660 4.979 4.320 -0.001 0.000 0.329 464 A C 0.257 177.678 177.584 -0.273 0.000 1.458 464 A CA 0.240 51.848 52.037 -0.716 0.000 1.052 464 A CB 0.321 18.825 19.000 -0.828 0.000 1.142 464 A HN 0.596 nan 8.150 nan 0.000 0.523 465 E N 2.370 122.494 120.200 -0.126 0.000 2.109 465 E HA 0.365 4.715 4.350 -0.001 0.000 0.278 465 E C -0.727 175.860 176.600 -0.021 0.000 0.954 465 E CA -0.286 56.081 56.400 -0.055 0.000 0.779 465 E CB 0.765 30.456 29.700 -0.015 0.000 1.093 465 E HN 0.443 nan 8.360 nan 0.000 0.401 466 T N 3.673 118.202 114.554 -0.040 0.000 2.744 466 T HA 0.111 4.461 4.350 -0.001 0.000 0.291 466 T C -0.023 174.667 174.700 -0.017 0.000 0.957 466 T CA -0.404 61.681 62.100 -0.024 0.000 1.002 466 T CB 1.248 70.086 68.868 -0.050 0.000 0.919 466 T HN 0.490 nan 8.240 nan 0.000 0.468 467 T N 3.626 118.178 114.554 -0.003 0.000 2.901 467 T HA 0.131 4.480 4.350 -0.001 0.000 0.301 467 T C 0.568 175.263 174.700 -0.008 0.000 1.012 467 T CA -0.117 61.982 62.100 -0.001 0.000 1.135 467 T CB -0.511 68.361 68.868 0.007 0.000 0.936 467 T HN 0.814 nan 8.240 nan 0.000 0.539 468 N N 3.568 122.264 118.700 -0.006 0.000 2.696 468 N HA -0.117 4.623 4.740 -0.001 0.000 0.256 468 N C -2.120 173.380 175.510 -0.017 0.000 1.031 468 N CA 0.431 53.477 53.050 -0.006 0.000 0.730 468 N CB -0.342 38.141 38.487 -0.007 0.000 0.894 468 N HN 0.573 nan 8.380 nan 0.000 0.544 469 P HA -0.172 nan 4.420 nan 0.000 0.225 469 P C 0.351 177.615 177.300 -0.060 0.000 1.148 469 P CA 1.254 64.323 63.100 -0.052 0.000 0.779 469 P CB 0.279 31.944 31.700 -0.060 0.000 0.780 470 E N -0.711 119.484 120.200 -0.009 0.000 2.474 470 E HA 0.004 4.353 4.350 -0.001 0.000 0.194 470 E C 1.348 177.941 176.600 -0.012 0.000 1.041 470 E CA 1.123 57.532 56.400 0.015 0.000 0.874 470 E CB 0.025 29.784 29.700 0.099 0.000 0.914 470 E HN 0.396 nan 8.360 nan 0.000 0.498 471 T N -3.370 111.170 114.554 -0.023 0.000 2.993 471 T HA 0.059 4.409 4.350 -0.001 0.000 0.260 471 T C 0.898 175.578 174.700 -0.034 0.000 0.939 471 T CA -0.304 61.781 62.100 -0.026 0.000 0.886 471 T CB 0.300 69.159 68.868 -0.015 0.000 1.209 471 T HN -0.219 nan 8.240 nan 0.000 0.518 472 T N 5.091 119.622 114.554 -0.039 0.000 2.834 472 T HA 0.371 4.720 4.350 -0.001 0.000 0.298 472 T C -2.520 172.148 174.700 -0.054 0.000 0.966 472 T CA -0.532 61.544 62.100 -0.040 0.000 1.141 472 T CB 0.739 69.584 68.868 -0.040 0.000 0.905 472 T HN 0.212 nan 8.240 nan 0.000 0.535 473 P HA 0.117 nan 4.420 nan 0.000 0.266 473 P C 0.140 177.399 177.300 -0.067 0.000 1.195 473 P CA -0.317 62.752 63.100 -0.051 0.000 0.768 473 P CB 0.256 31.938 31.700 -0.030 0.000 0.838 474 I N 1.950 122.464 120.570 -0.093 0.000 2.821 474 I HA 0.010 4.180 4.170 -0.001 0.000 0.294 474 I C 1.691 177.769 176.117 -0.065 0.000 1.210 474 I CA 1.594 62.824 61.300 -0.118 0.000 1.430 474 I CB -0.627 37.276 38.000 -0.161 0.000 1.356 474 I HN 0.772 nan 8.210 nan 0.000 0.563 475 G N 4.693 113.467 108.800 -0.044 0.000 2.352 475 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.204 475 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.204 475 G C 0.611 175.493 174.900 -0.031 0.000 1.004 475 G CA -0.184 44.898 45.100 -0.030 0.000 0.648 475 G HN 0.572 nan 8.290 nan 0.000 0.491 476 E N 0.749 120.924 120.200 -0.042 0.000 2.526 476 E HA 0.434 4.783 4.350 -0.001 0.000 0.208 476 E C 1.444 177.995 176.600 -0.081 0.000 0.997 476 E CA 0.490 56.854 56.400 -0.061 0.000 0.961 476 E CB 0.705 30.384 29.700 -0.035 0.000 1.030 476 E HN 0.646 nan 8.360 nan 0.000 0.483 477 G N 0.389 109.149 108.800 -0.066 0.000 2.616 477 G HA2 0.020 3.979 3.960 -0.001 0.000 0.268 477 G HA3 0.020 3.979 3.960 -0.001 0.000 0.268 477 G C 0.581 175.448 174.900 -0.055 0.000 1.213 477 G CA -0.380 44.689 45.100 -0.053 0.000 0.926 477 G HN -0.042 nan 8.290 nan 0.000 0.523 478 E N -0.422 119.785 120.200 0.011 0.000 2.427 478 E HA 0.181 4.530 4.350 -0.001 0.000 0.196 478 E C 1.168 177.917 176.600 0.247 0.000 1.028 478 E CA 0.996 57.506 56.400 0.182 0.000 0.864 478 E CB 0.317 30.103 29.700 0.143 0.000 0.813 478 E HN 0.839 nan 8.360 nan 0.000 0.514 479 G N 0.616 109.408 108.800 -0.013 0.000 2.307 479 G HA2 0.135 4.094 3.960 -0.001 0.000 0.348 479 G HA3 0.135 4.094 3.960 -0.001 0.000 0.348 479 G C -1.547 172.999 174.900 -0.589 0.000 1.603 479 G CA -0.761 44.130 45.100 -0.348 0.000 0.961 479 G HN 0.111 nan 8.290 nan 0.000 0.686 480 Y N -0.584 119.305 120.300 -0.684 0.000 2.376 480 Y HA 0.860 5.410 4.550 -0.001 0.000 0.340 480 Y C 0.013 175.549 175.900 -0.608 0.000 0.965 480 Y CA -1.709 56.060 58.100 -0.552 0.000 1.078 480 Y CB 2.042 40.304 38.460 -0.331 0.000 1.193 480 Y HN 0.674 nan 8.280 nan 0.000 0.452 481 M N 4.249 123.566 119.600 -0.472 0.000 2.321 481 M HA 0.876 5.355 4.480 -0.001 0.000 0.315 481 M C -1.618 174.518 176.300 -0.273 0.000 1.052 481 M CA -0.581 54.483 55.300 -0.393 0.000 0.936 481 M CB 1.673 34.110 32.600 -0.273 0.000 1.639 481 M HN 1.035 nan 8.290 nan 0.000 0.433 482 A N 2.967 125.575 122.820 -0.354 0.000 2.556 482 A HA 0.798 5.117 4.320 -0.001 0.000 0.294 482 A C -1.809 175.476 177.584 -0.499 0.000 1.091 482 A CA -0.593 51.289 52.037 -0.258 0.000 0.704 482 A CB 1.313 20.260 19.000 -0.089 0.000 1.300 482 A HN 1.007 nan 8.150 nan 0.000 0.406 483 H N -0.784 118.212 119.070 -0.123 0.000 3.878 483 H HA 0.549 5.105 4.556 -0.001 0.000 0.332 483 H C 1.274 176.590 175.328 -0.019 0.000 1.613 483 H CA 0.541 56.512 56.048 -0.127 0.000 1.413 483 H CB 0.237 29.866 29.762 -0.221 0.000 1.066 483 H HN 0.525 nan 8.280 nan 0.000 0.797 484 T N 0.184 114.832 114.554 0.156 0.000 2.698 484 T HA -0.023 4.327 4.350 -0.001 0.000 0.260 484 T C 0.017 174.689 174.700 -0.046 0.000 1.044 484 T CA 1.022 63.150 62.100 0.047 0.000 1.149 484 T CB -0.157 68.759 68.868 0.080 0.000 0.864 484 T HN 0.333 nan 8.240 nan 0.000 0.419 485 E N 2.424 122.676 120.200 0.087 0.000 2.152 485 E HA 0.260 4.610 4.350 -0.001 0.000 0.285 485 E C -0.464 176.359 176.600 0.371 0.000 1.043 485 E CA -0.150 56.337 56.400 0.145 0.000 0.839 485 E CB 0.487 30.413 29.700 0.378 0.000 1.069 485 E HN 0.311 nan 8.360 nan 0.000 0.399 486 N N 1.412 120.316 118.700 0.340 0.000 2.380 486 N HA 0.384 5.124 4.740 -0.001 0.000 0.290 486 N C -0.357 175.415 175.510 0.435 0.000 1.236 486 N CA -0.319 52.989 53.050 0.431 0.000 0.780 486 N CB 2.282 41.002 38.487 0.388 0.000 1.438 486 N HN 0.492 nan 8.380 nan 0.000 0.491 487 T N -3.582 111.158 114.554 0.310 0.000 2.626 487 T HA 0.563 4.913 4.350 -0.001 0.000 0.279 487 T C 0.577 175.013 174.700 -0.439 0.000 0.983 487 T CA -0.428 61.562 62.100 -0.182 0.000 1.059 487 T CB 0.789 69.533 68.868 -0.207 0.000 1.396 487 T HN 0.324 nan 8.240 nan 0.000 0.519 488 A N -0.664 121.342 122.820 -1.357 0.000 2.238 488 A HA 0.301 4.621 4.320 -0.001 0.000 0.208 488 A C 0.386 177.402 177.584 -0.946 0.000 1.177 488 A CA 0.326 51.649 52.037 -1.190 0.000 0.804 488 A CB -0.859 16.977 19.000 -1.939 0.000 0.823 488 A HN 0.727 nan 8.150 nan 0.000 0.482 489 Y N -0.943 119.085 120.300 -0.453 0.000 2.713 489 Y HA 0.433 4.982 4.550 -0.001 0.000 0.269 489 Y C 1.357 177.107 175.900 -0.251 0.000 1.106 489 Y CA -0.818 56.807 58.100 -0.791 0.000 1.174 489 Y CB -0.129 37.980 38.460 -0.585 0.000 1.186 489 Y HN 0.298 nan 8.280 nan 0.000 0.555 490 G N 0.250 109.100 108.800 0.084 0.000 2.273 490 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.280 490 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.280 490 G C 0.101 175.213 174.900 0.354 0.000 1.047 490 G CA 0.004 45.263 45.100 0.265 0.000 0.869 490 G HN 0.655 nan 8.290 nan 0.000 0.502 491 W N 2.168 123.565 121.300 0.161 0.000 1.606 491 W HA 0.362 5.021 4.660 -0.001 0.000 0.455 491 W C 1.127 177.722 176.519 0.126 0.000 0.711 491 W CA 0.314 57.771 57.345 0.185 0.000 1.876 491 W CB -0.270 29.330 29.460 0.235 0.000 1.776 491 W HN 0.391 nan 8.180 nan 0.000 0.229 492 T N 0.171 114.722 114.554 -0.006 0.000 3.107 492 T HA 0.281 4.630 4.350 -0.001 0.000 0.249 492 T C 0.997 175.654 174.700 -0.070 0.000 1.096 492 T CA 0.009 62.094 62.100 -0.025 0.000 1.012 492 T CB 0.209 69.057 68.868 -0.034 0.000 0.977 492 T HN 0.240 nan 8.240 nan 0.000 0.527 493 A N 3.288 125.933 122.820 -0.291 0.000 2.406 493 A HA 0.541 4.860 4.320 -0.001 0.000 0.243 493 A C -2.152 175.210 177.584 -0.370 0.000 1.082 493 A CA -1.434 50.410 52.037 -0.320 0.000 0.786 493 A CB -0.107 18.611 19.000 -0.469 0.000 1.029 493 A HN 0.298 nan 8.150 nan 0.000 0.495 494 P HA 0.239 nan 4.420 nan 0.000 0.272 494 P C 0.421 177.530 177.300 -0.318 0.000 1.223 494 P CA 0.257 62.903 63.100 -0.758 0.000 0.784 494 P CB 0.606 31.759 31.700 -0.912 0.000 0.923 495 G N 0.756 109.452 108.800 -0.173 0.000 2.563 495 G HA2 0.045 4.004 3.960 -0.001 0.000 0.283 495 G HA3 0.045 4.004 3.960 -0.001 0.000 0.283 495 G C 0.669 175.436 174.900 -0.221 0.000 1.309 495 G CA -0.305 44.787 45.100 -0.013 0.000 1.022 495 G HN 0.548 nan 8.290 nan 0.000 0.501 496 Q N -1.438 118.290 119.800 -0.121 0.000 2.297 496 Q HA 0.057 4.397 4.340 -0.001 0.000 0.204 496 Q C 0.874 176.750 176.000 -0.207 0.000 0.962 496 Q CA 0.635 56.414 55.803 -0.040 0.000 0.879 496 Q CB 0.057 28.908 28.738 0.189 0.000 0.947 496 Q HN 0.362 nan 8.270 nan 0.000 0.462 497 S N -1.042 114.283 115.700 -0.626 0.000 2.532 497 S HA 0.216 4.685 4.470 -0.001 0.000 0.299 497 S C 0.047 174.232 174.600 -0.691 0.000 1.105 497 S CA -0.780 57.087 58.200 -0.556 0.000 1.018 497 S CB 0.698 63.645 63.200 -0.422 0.000 1.021 497 S HN 0.365 nan 8.310 nan 0.000 0.483 498 F N 4.466 124.148 119.950 -0.446 0.000 2.120 498 F HA -0.094 4.432 4.527 -0.001 0.000 0.300 498 F C 2.346 177.923 175.800 -0.372 0.000 1.095 498 F CA 2.256 60.056 58.000 -0.334 0.000 1.249 498 F CB -0.260 38.582 39.000 -0.263 0.000 0.995 498 F HN 0.700 nan 8.300 nan 0.000 0.480 499 S N -0.105 115.354 115.700 -0.402 0.000 2.803 499 S HA -0.101 4.369 4.470 -0.001 0.000 0.226 499 S C 0.878 175.418 174.600 -0.101 0.000 0.962 499 S CA 0.488 58.331 58.200 -0.594 0.000 0.968 499 S CB -1.335 61.616 63.200 -0.414 0.000 0.786 499 S HN 0.784 nan 8.310 nan 0.000 0.527 500 W N -2.616 118.666 121.300 -0.030 0.000 1.141 500 W HA 0.361 5.021 4.660 -0.001 0.000 0.154 500 W C 0.865 177.426 176.519 0.068 0.000 0.692 500 W CA -0.096 57.307 57.345 0.095 0.000 0.637 500 W CB -0.560 28.998 29.460 0.163 0.000 0.726 500 W HN 0.220 nan 8.180 nan 0.000 0.471 501 G N 0.704 109.279 108.800 -0.374 0.000 2.662 501 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.212 501 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.212 501 G C 0.018 174.819 174.900 -0.165 0.000 1.141 501 G CA 0.393 45.307 45.100 -0.310 0.000 0.797 501 G HN 0.154 nan 8.290 nan 0.000 0.531 502 W N 2.533 123.564 121.300 -0.448 0.000 2.329 502 W HA 0.553 5.213 4.660 -0.001 0.000 0.312 502 W C -0.603 175.870 176.519 -0.076 0.000 1.054 502 W CA -0.734 56.378 57.345 -0.388 0.000 1.245 502 W CB 1.393 30.441 29.460 -0.687 0.000 1.255 502 W HN 0.106 nan 8.180 nan 0.000 0.436 503 S N 5.556 121.270 115.700 0.023 0.000 2.787 503 S HA 0.168 4.637 4.470 -0.001 0.000 0.140 503 S C -2.100 172.425 174.600 -0.126 0.000 1.240 503 S CA -0.774 57.477 58.200 0.085 0.000 1.163 503 S CB 1.043 64.382 63.200 0.231 0.000 1.652 503 S HN 0.350 nan 8.310 nan 0.000 0.443 504 P HA 0.038 nan 4.420 nan 0.000 0.223 504 P C 1.473 178.723 177.300 -0.083 0.000 1.151 504 P CA 1.179 63.979 63.100 -0.500 0.000 0.787 504 P CB -0.110 31.328 31.700 -0.436 0.000 0.788 505 A N 0.343 123.173 122.820 0.017 0.000 2.216 505 A HA 0.085 4.405 4.320 -0.001 0.000 0.214 505 A C 2.331 179.947 177.584 0.053 0.000 1.160 505 A CA 1.228 53.237 52.037 -0.046 0.000 0.725 505 A CB -1.222 17.590 19.000 -0.314 0.000 0.784 505 A HN 0.212 nan 8.150 nan 0.000 0.472 506 A N -0.339 122.553 122.820 0.120 0.000 1.948 506 A HA -0.072 4.247 4.320 -0.001 0.000 0.220 506 A C 2.180 179.829 177.584 0.109 0.000 1.177 506 A CA 1.955 54.098 52.037 0.175 0.000 0.636 506 A CB -0.756 18.293 19.000 0.081 0.000 0.815 506 A HN 0.378 nan 8.150 nan 0.000 0.449 507 V N 0.229 120.158 119.914 0.024 0.000 2.244 507 V HA -0.142 3.978 4.120 -0.001 0.000 0.244 507 V C -0.027 176.085 176.094 0.030 0.000 1.042 507 V CA 2.341 64.649 62.300 0.013 0.000 1.006 507 V CB -1.584 30.194 31.823 -0.076 0.000 0.641 507 V HN 0.332 nan 8.190 nan 0.000 0.446 508 P HA -0.226 nan 4.420 nan 0.000 0.216 508 P C 1.395 178.751 177.300 0.094 0.000 1.154 508 P CA 1.861 64.915 63.100 -0.076 0.000 0.865 508 P CB -0.162 31.379 31.700 -0.264 0.000 0.789 509 W N 0.132 121.395 121.300 -0.063 0.000 2.379 509 W HA -0.093 4.567 4.660 -0.001 0.000 0.307 509 W C 2.013 178.573 176.519 0.068 0.000 1.200 509 W CA 0.611 57.966 57.345 0.017 0.000 1.297 509 W CB -1.312 28.185 29.460 0.061 0.000 1.140 509 W HN -0.161 nan 8.180 nan 0.000 0.507 510 I N 0.703 121.394 120.570 0.202 0.000 2.454 510 I HA -0.251 3.919 4.170 -0.001 0.000 0.254 510 I C 2.266 178.463 176.117 0.132 0.000 1.156 510 I CA 1.364 62.712 61.300 0.079 0.000 1.433 510 I CB -0.540 37.468 38.000 0.013 0.000 1.082 510 I HN -0.109 nan 8.210 nan 0.000 0.432 511 L N -0.577 120.732 121.223 0.143 0.000 2.362 511 L HA -0.179 4.161 4.340 -0.001 0.000 0.219 511 L C 2.354 179.337 176.870 0.188 0.000 1.134 511 L CA 0.765 55.685 54.840 0.133 0.000 0.807 511 L CB -0.579 41.522 42.059 0.069 0.000 0.927 511 L HN 0.341 nan 8.230 nan 0.000 0.447 512 Q N -0.085 119.858 119.800 0.237 0.000 2.046 512 Q HA -0.170 4.169 4.340 -0.001 0.000 0.200 512 Q C 1.926 178.119 176.000 0.321 0.000 0.975 512 Q CA 1.369 57.346 55.803 0.289 0.000 0.836 512 Q CB -0.140 28.793 28.738 0.325 0.000 0.896 512 Q HN 0.603 nan 8.270 nan 0.000 0.428 513 N N 0.168 119.059 118.700 0.319 0.000 2.104 513 N HA -0.146 4.594 4.740 -0.001 0.000 0.190 513 N C 1.962 177.662 175.510 0.316 0.000 1.024 513 N CA 1.351 54.614 53.050 0.356 0.000 0.853 513 N CB -0.082 38.558 38.487 0.256 0.000 1.008 513 N HN 0.055 nan 8.380 nan 0.000 0.424 514 V N 1.008 121.049 119.914 0.212 0.000 2.261 514 V HA -0.248 3.872 4.120 -0.001 0.000 0.246 514 V C 2.112 178.317 176.094 0.186 0.000 1.047 514 V CA 1.513 63.915 62.300 0.171 0.000 1.015 514 V CB -0.802 31.094 31.823 0.121 0.000 0.642 514 V HN 0.268 nan 8.190 nan 0.000 0.446 515 Y N 1.310 121.666 120.300 0.094 0.000 2.256 515 Y HA -0.243 4.307 4.550 -0.001 0.000 0.288 515 Y C 2.474 178.423 175.900 0.080 0.000 1.155 515 Y CA 1.936 60.093 58.100 0.094 0.000 1.203 515 Y CB -0.271 38.235 38.460 0.077 0.000 0.980 515 Y HN 0.413 nan 8.280 nan 0.000 0.530 516 E N -0.297 119.887 120.200 -0.027 0.000 2.204 516 E HA -0.202 4.148 4.350 -0.001 0.000 0.195 516 E C 2.359 178.588 176.600 -0.618 0.000 0.990 516 E CA 0.733 57.007 56.400 -0.211 0.000 0.821 516 E CB -0.289 29.451 29.700 0.067 0.000 0.750 516 E HN 0.581 nan 8.360 nan 0.000 0.477 517 A N 0.955 123.402 122.820 -0.622 0.000 1.948 517 A HA -0.248 4.072 4.320 -0.001 0.000 0.220 517 A C 2.022 179.463 177.584 -0.239 0.000 1.177 517 A CA 1.590 53.330 52.037 -0.496 0.000 0.636 517 A CB -0.687 18.307 19.000 -0.010 0.000 0.815 517 A HN 0.442 nan 8.150 nan 0.000 0.449 518 Y N 0.520 120.634 120.300 -0.311 0.000 2.184 518 Y HA -0.097 4.453 4.550 -0.001 0.000 0.290 518 Y C 2.221 177.923 175.900 -0.330 0.000 1.129 518 Y CA 1.863 59.792 58.100 -0.286 0.000 1.144 518 Y CB -0.381 37.905 38.460 -0.290 0.000 0.995 518 Y HN 0.448 nan 8.280 nan 0.000 0.513 519 E N -0.867 118.933 120.200 -0.667 0.000 2.097 519 E HA -0.283 4.066 4.350 -0.001 0.000 0.196 519 E C 1.746 178.040 176.600 -0.510 0.000 1.000 519 E CA 1.916 57.936 56.400 -0.633 0.000 0.804 519 E CB -0.408 28.994 29.700 -0.496 0.000 0.740 519 E HN 0.610 nan 8.360 nan 0.000 0.454 520 Y N -0.349 119.697 120.300 -0.423 0.000 2.517 520 Y HA -0.056 4.493 4.550 -0.001 0.000 0.281 520 Y C 2.585 178.346 175.900 -0.230 0.000 1.125 520 Y CA 0.962 58.906 58.100 -0.259 0.000 1.283 520 Y CB 0.484 38.821 38.460 -0.205 0.000 1.042 520 Y HN 0.074 nan 8.280 nan 0.000 0.547 521 S N -2.186 113.418 115.700 -0.160 0.000 2.566 521 S HA 0.289 4.758 4.470 -0.001 0.000 0.234 521 S C 1.839 176.317 174.600 -0.204 0.000 1.075 521 S CA 0.481 58.606 58.200 -0.125 0.000 0.926 521 S CB 0.118 63.285 63.200 -0.055 0.000 0.811 521 S HN 0.415 nan 8.310 nan 0.000 0.518 522 G N 1.934 110.497 108.800 -0.395 0.000 2.153 522 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.252 522 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.252 522 G C -0.306 174.571 174.900 -0.038 0.000 0.994 522 G CA 0.264 45.153 45.100 -0.353 0.000 0.698 522 G HN 0.701 nan 8.290 nan 0.000 0.521 523 D N 0.677 121.106 120.400 0.048 0.000 2.339 523 D HA 0.289 4.929 4.640 -0.001 0.000 0.256 523 D C 0.087 176.514 176.300 0.212 0.000 1.214 523 D CA -1.675 52.395 54.000 0.116 0.000 0.877 523 D CB 1.279 42.132 40.800 0.089 0.000 1.111 523 D HN 0.210 nan 8.370 nan 0.000 0.478 524 P HA -0.128 nan 4.420 nan 0.000 0.217 524 P C 1.028 178.358 177.300 0.049 0.000 1.150 524 P CA 0.952 64.109 63.100 0.095 0.000 0.832 524 P CB 0.213 31.948 31.700 0.057 0.000 0.787 525 A N 0.210 123.061 122.820 0.051 0.000 1.877 525 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 525 A C 2.261 179.872 177.584 0.045 0.000 1.186 525 A CA 1.503 53.563 52.037 0.038 0.000 0.620 525 A CB -1.711 17.311 19.000 0.037 0.000 0.822 525 A HN 0.140 nan 8.150 nan 0.000 0.443 526 L N -0.511 120.757 121.223 0.074 0.000 2.042 526 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 526 L C 2.287 179.189 176.870 0.053 0.000 1.076 526 L CA 2.122 57.017 54.840 0.090 0.000 0.749 526 L CB -0.807 41.335 42.059 0.139 0.000 0.893 526 L HN 0.421 nan 8.230 nan 0.000 0.432 527 L N -0.338 120.869 121.223 -0.025 0.000 1.997 527 L HA -0.281 4.059 4.340 -0.001 0.000 0.216 527 L C 2.083 178.896 176.870 -0.095 0.000 1.074 527 L CA 2.235 56.876 54.840 -0.332 0.000 0.763 527 L CB -1.177 40.589 42.059 -0.488 0.000 0.890 527 L HN 0.321 nan 8.230 nan 0.000 0.434 528 D N -0.821 119.565 120.400 -0.022 0.000 2.149 528 D HA -0.207 4.432 4.640 -0.001 0.000 0.198 528 D C 2.322 178.687 176.300 0.107 0.000 0.990 528 D CA 1.294 55.330 54.000 0.061 0.000 0.839 528 D CB -0.163 40.658 40.800 0.036 0.000 0.948 528 D HN 0.398 nan 8.370 nan 0.000 0.460 529 R N 0.544 121.082 120.500 0.063 0.000 2.066 529 R HA -0.109 4.231 4.340 -0.001 0.000 0.232 529 R C 2.259 178.596 176.300 0.061 0.000 1.131 529 R CA 1.481 57.612 56.100 0.052 0.000 0.955 529 R CB -0.055 30.268 30.300 0.039 0.000 0.851 529 R HN 0.223 nan 8.270 nan 0.000 0.432 530 V N -1.464 118.500 119.914 0.083 0.000 2.548 530 V HA -0.148 3.972 4.120 -0.001 0.000 0.249 530 V C 2.039 178.199 176.094 0.110 0.000 1.055 530 V CA 1.347 63.714 62.300 0.113 0.000 1.065 530 V CB -1.074 30.861 31.823 0.186 0.000 0.681 530 V HN 0.352 nan 8.190 nan 0.000 0.462 531 Y N 2.348 122.654 120.300 0.011 0.000 2.181 531 Y HA -0.034 4.516 4.550 -0.001 0.000 0.288 531 Y C 2.583 178.510 175.900 0.046 0.000 1.146 531 Y CA 1.824 59.934 58.100 0.015 0.000 1.164 531 Y CB -0.781 37.680 38.460 0.002 0.000 0.982 531 Y HN 0.278 nan 8.280 nan 0.000 0.515 532 A N 0.401 123.200 122.820 -0.036 0.000 1.908 532 A HA -0.175 4.145 4.320 -0.001 0.000 0.218 532 A C 2.308 179.832 177.584 -0.100 0.000 1.181 532 A CA 1.948 53.926 52.037 -0.098 0.000 0.627 532 A CB -1.181 17.818 19.000 -0.002 0.000 0.818 532 A HN 0.563 nan 8.150 nan 0.000 0.445 533 L N -0.897 120.299 121.223 -0.045 0.000 2.046 533 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 533 L C 2.589 179.486 176.870 0.046 0.000 1.077 533 L CA 1.055 55.919 54.840 0.039 0.000 0.747 533 L CB -0.464 41.625 42.059 0.049 0.000 0.896 533 L HN 0.365 nan 8.230 nan 0.000 0.432 534 L N -0.257 120.910 121.223 -0.093 0.000 2.056 534 L HA -0.227 4.112 4.340 -0.001 0.000 0.207 534 L C 2.739 179.426 176.870 -0.305 0.000 1.078 534 L CA 1.284 55.996 54.840 -0.214 0.000 0.749 534 L CB -0.473 41.418 42.059 -0.280 0.000 0.901 534 L HN 0.261 nan 8.230 nan 0.000 0.433 535 K N 0.611 120.795 120.400 -0.360 0.000 2.009 535 K HA -0.297 4.023 4.320 -0.001 0.000 0.210 535 K C 2.055 178.712 176.600 0.095 0.000 1.049 535 K CA 2.203 58.399 56.287 -0.151 0.000 0.929 535 K CB -0.137 32.141 32.500 -0.369 0.000 0.714 535 K HN 0.272 nan 8.250 nan 0.000 0.440 536 E N 0.105 120.350 120.200 0.076 0.000 2.077 536 E HA -0.236 4.113 4.350 -0.001 0.000 0.193 536 E C 1.897 178.625 176.600 0.214 0.000 0.989 536 E CA 1.468 57.977 56.400 0.183 0.000 0.800 536 E CB 0.025 29.846 29.700 0.201 0.000 0.746 536 E HN 0.328 nan 8.360 nan 0.000 0.452 537 E N -0.040 120.212 120.200 0.086 0.000 2.152 537 E HA -0.070 4.280 4.350 -0.001 0.000 0.192 537 E C 1.923 178.613 176.600 0.150 0.000 0.983 537 E CA 1.266 57.657 56.400 -0.014 0.000 0.818 537 E CB -0.095 29.471 29.700 -0.223 0.000 0.758 537 E HN 0.105 nan 8.360 nan 0.000 0.467 538 S N -0.266 115.430 115.700 -0.007 0.000 2.368 538 S HA -0.175 4.294 4.470 -0.001 0.000 0.224 538 S C 1.735 176.482 174.600 0.246 0.000 1.029 538 S CA 1.068 59.209 58.200 -0.097 0.000 0.988 538 S CB -0.542 62.218 63.200 -0.733 0.000 0.838 538 S HN 0.478 nan 8.310 nan 0.000 0.462 539 H N 0.341 119.602 119.070 0.319 0.000 2.319 539 H HA -0.161 4.394 4.556 -0.001 0.000 0.297 539 H C 2.108 177.689 175.328 0.421 0.000 1.097 539 H CA 1.922 58.209 56.048 0.398 0.000 1.285 539 H CB -0.514 29.456 29.762 0.347 0.000 1.368 539 H HN 0.404 nan 8.280 nan 0.000 0.495 540 F N 0.996 121.170 119.950 0.372 0.000 2.065 540 F HA -0.279 4.247 4.527 -0.001 0.000 0.298 540 F C 2.183 178.109 175.800 0.210 0.000 1.112 540 F CA 1.730 59.915 58.000 0.308 0.000 1.212 540 F CB -1.218 37.836 39.000 0.091 0.000 0.975 540 F HN 0.107 nan 8.300 nan 0.000 0.476 541 Y N -0.375 119.912 120.300 -0.022 0.000 2.163 541 Y HA -0.194 4.356 4.550 -0.001 0.000 0.288 541 Y C 2.583 178.477 175.900 -0.009 0.000 1.136 541 Y CA 1.909 59.914 58.100 -0.158 0.000 1.147 541 Y CB -0.941 37.450 38.460 -0.116 0.000 0.987 541 Y HN -0.103 nan 8.280 nan 0.000 0.509 542 V N 0.504 120.567 119.914 0.248 0.000 2.287 542 V HA -0.322 3.797 4.120 -0.001 0.000 0.248 542 V C 1.836 178.155 176.094 0.375 0.000 1.053 542 V CA 2.246 64.770 62.300 0.373 0.000 1.027 542 V CB -0.490 31.553 31.823 0.365 0.000 0.646 542 V HN 0.510 nan 8.190 nan 0.000 0.447 543 N N -1.865 116.880 118.700 0.074 0.000 2.415 543 N HA -0.011 4.728 4.740 -0.001 0.000 0.176 543 N C 1.353 176.547 175.510 -0.527 0.000 1.042 543 N CA 1.093 54.047 53.050 -0.160 0.000 0.902 543 N CB 0.342 38.498 38.487 -0.552 0.000 0.986 543 N HN 0.582 nan 8.380 nan 0.000 0.447 544 Y N -1.237 119.019 120.300 -0.074 0.000 2.441 544 Y HA 0.316 4.865 4.550 -0.001 0.000 0.266 544 Y C 1.846 177.570 175.900 -0.294 0.000 1.093 544 Y CA -0.133 57.850 58.100 -0.195 0.000 1.246 544 Y CB 0.355 38.681 38.460 -0.223 0.000 1.262 544 Y HN -0.120 nan 8.280 nan 0.000 0.518 545 M N -0.360 119.063 119.600 -0.295 0.000 2.653 545 M HA 0.272 4.751 4.480 -0.001 0.000 0.259 545 M C 0.232 176.453 176.300 -0.132 0.000 1.244 545 M CA 0.609 55.685 55.300 -0.374 0.000 1.163 545 M CB -0.142 31.864 32.600 -0.989 0.000 1.309 545 M HN -0.033 nan 8.290 nan 0.000 0.509 546 L N 1.677 122.880 121.223 -0.034 0.000 2.380 546 L HA 0.191 4.530 4.340 -0.001 0.000 0.273 546 L C 0.135 177.030 176.870 0.041 0.000 1.138 546 L CA -0.107 54.706 54.840 -0.045 0.000 0.832 546 L CB 0.271 42.190 42.059 -0.232 0.000 1.124 546 L HN 0.397 nan 8.230 nan 0.000 0.454 547 H N 0.651 119.654 119.070 -0.111 0.000 2.980 547 H HA 0.404 4.960 4.556 -0.001 0.000 0.367 547 H C -1.059 174.224 175.328 -0.076 0.000 1.206 547 H CA -1.308 54.723 56.048 -0.029 0.000 1.126 547 H CB 1.668 31.453 29.762 0.038 0.000 1.838 547 H HN 0.421 nan 8.280 nan 0.000 0.552 548 K N 2.098 122.401 120.400 -0.163 0.000 2.416 548 K HA 0.356 4.676 4.320 -0.001 0.000 0.283 548 K C -0.111 176.162 176.600 -0.545 0.000 1.037 548 K CA -0.005 56.130 56.287 -0.253 0.000 0.995 548 K CB 0.444 32.882 32.500 -0.102 0.000 0.938 548 K HN 0.645 nan 8.250 nan 0.000 0.475 549 A N 3.738 126.341 122.820 -0.362 0.000 2.425 549 A HA 0.350 4.670 4.320 -0.001 0.000 0.242 549 A C 0.613 178.076 177.584 -0.201 0.000 1.077 549 A CA 0.142 52.002 52.037 -0.295 0.000 0.781 549 A CB 0.392 19.324 19.000 -0.113 0.000 1.020 549 A HN 0.936 nan 8.150 nan 0.000 0.494 550 G N -0.375 108.363 108.800 -0.104 0.000 2.588 550 G HA2 0.363 4.322 3.960 -0.001 0.000 0.278 550 G HA3 0.363 4.322 3.960 -0.001 0.000 0.278 550 G C 1.278 176.185 174.900 0.012 0.000 1.307 550 G CA 0.399 45.484 45.100 -0.025 0.000 1.016 550 G HN 1.442 nan 8.290 nan 0.000 0.503 551 S N -0.882 114.833 115.700 0.026 0.000 2.400 551 S HA -0.219 4.250 4.470 -0.001 0.000 0.232 551 S C 2.403 177.048 174.600 0.075 0.000 1.025 551 S CA 1.933 60.155 58.200 0.037 0.000 0.993 551 S CB -0.699 62.518 63.200 0.028 0.000 0.808 551 S HN 1.043 nan 8.310 nan 0.000 0.478 552 S N 0.944 116.711 115.700 0.112 0.000 2.447 552 S HA 0.069 4.539 4.470 -0.001 0.000 0.233 552 S C 1.501 176.252 174.600 0.252 0.000 1.006 552 S CA 0.944 59.262 58.200 0.196 0.000 0.957 552 S CB -0.511 62.831 63.200 0.237 0.000 0.773 552 S HN 0.458 nan 8.310 nan 0.000 0.507 553 S N 0.495 116.299 115.700 0.174 0.000 2.650 553 S HA 0.596 5.065 4.470 -0.001 0.000 0.240 553 S C 0.923 175.529 174.600 0.010 0.000 1.007 553 S CA -0.074 58.219 58.200 0.155 0.000 0.984 553 S CB 0.316 63.612 63.200 0.159 0.000 0.910 553 S HN 1.072 nan 8.310 nan 0.000 0.509 554 G N 2.507 111.321 108.800 0.023 0.000 2.562 554 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.250 554 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.250 554 G C -0.710 174.151 174.900 -0.065 0.000 1.269 554 G CA -0.008 45.081 45.100 -0.018 0.000 0.919 554 G HN 0.412 nan 8.290 nan 0.000 0.574 555 D N 1.368 121.722 120.400 -0.076 0.000 2.485 555 D HA 0.566 5.205 4.640 -0.001 0.000 0.221 555 D C 0.680 176.912 176.300 -0.114 0.000 1.112 555 D CA -0.043 53.911 54.000 -0.077 0.000 0.911 555 D CB -0.468 40.305 40.800 -0.046 0.000 1.019 555 D HN 0.828 nan 8.370 nan 0.000 0.516 556 R N 1.403 121.817 120.500 -0.144 0.000 2.774 556 R HA 0.349 4.689 4.340 -0.001 0.000 0.279 556 R C -1.280 174.904 176.300 -0.193 0.000 1.022 556 R CA -0.978 55.014 56.100 -0.179 0.000 0.855 556 R CB 0.356 30.498 30.300 -0.264 0.000 1.279 556 R HN 0.058 nan 8.270 nan 0.000 0.485 557 L N 1.835 122.924 121.223 -0.224 0.000 2.331 557 L HA 0.454 4.793 4.340 -0.001 0.000 0.278 557 L C 0.312 177.083 176.870 -0.166 0.000 1.106 557 L CA -0.144 54.541 54.840 -0.258 0.000 0.824 557 L CB 1.421 43.204 42.059 -0.460 0.000 1.142 557 L HN 0.938 nan 8.230 nan 0.000 0.443 558 T N -2.689 111.844 114.554 -0.035 0.000 2.910 558 T HA 0.285 4.634 4.350 -0.001 0.000 0.287 558 T C 0.764 175.542 174.700 0.130 0.000 1.050 558 T CA -0.117 62.018 62.100 0.059 0.000 1.011 558 T CB 1.664 70.614 68.868 0.136 0.000 1.195 558 T HN 0.603 nan 8.240 nan 0.000 0.540 559 T N -2.040 112.594 114.554 0.133 0.000 3.129 559 T HA 0.494 4.843 4.350 -0.001 0.000 0.251 559 T C 1.393 176.135 174.700 0.070 0.000 1.117 559 T CA 0.383 62.560 62.100 0.129 0.000 1.034 559 T CB -1.185 67.807 68.868 0.208 0.000 0.968 559 T HN 1.811 nan 8.240 nan 0.000 0.526 560 G N 1.428 110.248 108.800 0.033 0.000 2.598 560 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.244 560 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.244 560 G C -0.295 174.664 174.900 0.099 0.000 1.302 560 G CA -0.642 44.388 45.100 -0.116 0.000 0.903 560 G HN 0.879 nan 8.290 nan 0.000 0.575 561 V N 0.802 120.751 119.914 0.058 0.000 2.703 561 V HA 0.294 4.413 4.120 -0.001 0.000 0.300 561 V C 1.190 177.500 176.094 0.360 0.000 1.063 561 V CA 1.618 63.993 62.300 0.126 0.000 1.240 561 V CB -0.506 31.280 31.823 -0.062 0.000 0.845 561 V HN 2.210 nan 8.190 nan 0.000 0.476 562 A N 5.082 128.171 122.820 0.448 0.000 2.556 562 A HA 0.840 5.159 4.320 -0.001 0.000 0.294 562 A C -1.549 176.442 177.584 0.678 0.000 1.091 562 A CA -0.633 51.745 52.037 0.567 0.000 0.704 562 A CB 1.835 21.093 19.000 0.431 0.000 1.300 562 A HN 0.795 nan 8.150 nan 0.000 0.406 563 Y N 0.638 121.199 120.300 0.434 0.000 2.442 563 Y HA 0.638 5.188 4.550 -0.001 0.000 0.344 563 Y C 0.004 176.060 175.900 0.260 0.000 0.976 563 Y CA -0.717 57.595 58.100 0.353 0.000 1.040 563 Y CB 2.310 40.903 38.460 0.222 0.000 1.228 563 Y HN 0.649 nan 8.280 nan 0.000 0.451 564 S N 7.796 123.310 115.700 -0.310 0.000 2.411 564 S HA 0.451 4.921 4.470 -0.001 0.000 0.294 564 S C -2.758 171.407 174.600 -0.726 0.000 1.115 564 S CA -1.628 56.321 58.200 -0.418 0.000 1.071 564 S CB 0.116 63.091 63.200 -0.375 0.000 0.967 564 S HN 0.404 nan 8.310 nan 0.000 0.488 565 P HA 0.194 nan 4.420 nan 0.000 0.267 565 P C -1.137 175.907 177.300 -0.427 0.000 1.209 565 P CA -0.012 62.755 63.100 -0.556 0.000 0.763 565 P CB 0.720 32.065 31.700 -0.592 0.000 0.816 566 A N 3.834 126.648 122.820 -0.010 0.000 3.297 566 A HA 0.404 4.724 4.320 -0.001 0.000 0.304 566 A C -0.101 177.549 177.584 0.110 0.000 0.963 566 A CA -0.250 51.833 52.037 0.076 0.000 0.935 566 A CB -0.131 19.044 19.000 0.292 0.000 1.093 566 A HN 0.580 nan 8.150 nan 0.000 0.480 567 Q N -0.403 119.253 119.800 -0.239 0.000 2.511 567 Q HA 0.730 5.070 4.340 -0.001 0.000 0.289 567 Q C 0.176 176.248 176.000 0.119 0.000 1.021 567 Q CA -0.460 55.258 55.803 -0.140 0.000 0.785 567 Q CB 1.292 29.649 28.738 -0.635 0.000 1.472 567 Q HN 1.790 nan 8.270 nan 0.000 0.411 568 G N 0.435 109.334 108.800 0.166 0.000 2.660 568 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.215 568 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.215 568 G C -2.795 172.176 174.900 0.119 0.000 1.345 568 G CA -0.494 44.600 45.100 -0.011 0.000 0.877 568 G HN 0.664 nan 8.290 nan 0.000 0.549 569 P HA 0.490 nan 4.420 nan 0.000 0.275 569 P C 0.078 177.586 177.300 0.346 0.000 1.228 569 P CA -0.370 62.786 63.100 0.093 0.000 0.786 569 P CB 0.516 32.206 31.700 -0.016 0.000 0.927 570 L N 2.064 123.448 121.223 0.269 0.000 2.305 570 L HA 0.476 4.816 4.340 -0.001 0.000 0.281 570 L C 1.230 178.204 176.870 0.174 0.000 1.085 570 L CA -0.028 54.991 54.840 0.299 0.000 0.813 570 L CB 0.084 42.188 42.059 0.075 0.000 1.157 570 L HN 0.753 nan 8.230 nan 0.000 0.436 571 G N 1.431 110.400 108.800 0.282 0.000 2.303 571 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.260 571 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.260 571 G C 0.137 175.129 174.900 0.154 0.000 1.106 571 G CA 0.132 45.266 45.100 0.057 0.000 0.900 571 G HN 0.765 nan 8.290 nan 0.000 0.495 572 T N -2.570 112.164 114.554 0.301 0.000 2.824 572 T HA 0.540 4.889 4.350 -0.001 0.000 0.277 572 T C 0.206 175.080 174.700 0.289 0.000 0.975 572 T CA -0.031 62.264 62.100 0.325 0.000 0.966 572 T CB 1.955 71.088 68.868 0.442 0.000 1.054 572 T HN 0.082 nan 8.240 nan 0.000 0.533 573 D N 0.654 121.234 120.400 0.301 0.000 2.558 573 D HA 0.404 5.043 4.640 -0.001 0.000 0.221 573 D C 1.107 177.597 176.300 0.316 0.000 1.143 573 D CA 1.112 55.287 54.000 0.292 0.000 1.010 573 D CB -1.011 39.959 40.800 0.285 0.000 1.068 573 D HN 1.081 nan 8.370 nan 0.000 0.511 574 G N 2.545 111.522 108.800 0.296 0.000 2.750 574 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.228 574 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.228 574 G C -0.404 174.679 174.900 0.304 0.000 1.367 574 G CA -0.165 45.115 45.100 0.300 0.000 0.871 574 G HN 0.890 nan 8.290 nan 0.000 0.560 575 N N -4.312 114.536 118.700 0.248 0.000 3.355 575 N HA 0.466 5.206 4.740 -0.001 0.000 0.238 575 N C 0.499 175.927 175.510 -0.138 0.000 1.466 575 N CA 0.332 53.336 53.050 -0.077 0.000 0.882 575 N CB 0.124 38.561 38.487 -0.083 0.000 1.406 575 N HN 0.599 nan 8.380 nan 0.000 0.500 576 T N -0.768 113.509 114.554 -0.462 0.000 2.821 576 T HA -0.127 4.223 4.350 -0.001 0.000 0.267 576 T C 1.203 175.834 174.700 -0.116 0.000 1.046 576 T CA 1.620 63.540 62.100 -0.300 0.000 1.139 576 T CB -0.608 68.022 68.868 -0.396 0.000 0.871 576 T HN 0.499 nan 8.240 nan 0.000 0.454 577 Y N 2.547 122.710 120.300 -0.227 0.000 2.030 577 Y HA -0.235 4.314 4.550 -0.001 0.000 0.274 577 Y C 2.234 178.052 175.900 -0.136 0.000 1.153 577 Y CA 1.649 59.638 58.100 -0.186 0.000 1.115 577 Y CB -0.529 37.835 38.460 -0.160 0.000 0.969 577 Y HN 0.248 nan 8.280 nan 0.000 0.488 578 E N -0.420 119.568 120.200 -0.353 0.000 2.072 578 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 578 E C 2.322 178.791 176.600 -0.220 0.000 0.985 578 E CA 1.480 57.646 56.400 -0.390 0.000 0.801 578 E CB -0.253 29.388 29.700 -0.098 0.000 0.750 578 E HN 0.455 nan 8.360 nan 0.000 0.452 579 S N 0.768 116.427 115.700 -0.068 0.000 2.402 579 S HA -0.075 4.394 4.470 -0.001 0.000 0.229 579 S C 2.178 176.751 174.600 -0.045 0.000 1.021 579 S CA 0.736 58.927 58.200 -0.015 0.000 0.974 579 S CB -0.012 63.251 63.200 0.104 0.000 0.800 579 S HN 0.124 nan 8.310 nan 0.000 0.484 580 S N 1.750 117.383 115.700 -0.111 0.000 2.383 580 S HA 0.092 4.561 4.470 -0.001 0.000 0.227 580 S C 1.764 176.294 174.600 -0.115 0.000 1.026 580 S CA 0.779 58.896 58.200 -0.140 0.000 0.981 580 S CB -0.321 62.752 63.200 -0.212 0.000 0.818 580 S HN 0.369 nan 8.310 nan 0.000 0.472 581 L N 0.881 121.958 121.223 -0.244 0.000 2.109 581 L HA -0.039 4.301 4.340 -0.001 0.000 0.207 581 L C 2.285 179.017 176.870 -0.230 0.000 1.086 581 L CA 0.743 55.418 54.840 -0.274 0.000 0.760 581 L CB -0.582 41.229 42.059 -0.414 0.000 0.910 581 L HN 0.193 nan 8.230 nan 0.000 0.437 582 V N -1.155 118.603 119.914 -0.260 0.000 2.358 582 V HA -0.291 3.828 4.120 -0.001 0.000 0.246 582 V C 2.086 178.087 176.094 -0.156 0.000 1.047 582 V CA 1.806 63.920 62.300 -0.310 0.000 1.035 582 V CB -0.617 31.007 31.823 -0.332 0.000 0.658 582 V HN 0.605 nan 8.190 nan 0.000 0.452 583 W N 0.831 121.999 121.300 -0.221 0.000 2.318 583 W HA -0.326 4.334 4.660 -0.001 0.000 0.313 583 W C 2.660 179.075 176.519 -0.174 0.000 1.221 583 W CA 2.330 59.574 57.345 -0.167 0.000 1.266 583 W CB -0.134 29.247 29.460 -0.132 0.000 1.150 583 W HN 0.185 nan 8.180 nan 0.000 0.496 584 Q N 0.166 120.097 119.800 0.219 0.000 2.084 584 Q HA -0.254 4.085 4.340 -0.001 0.000 0.202 584 Q C 2.378 178.257 176.000 -0.202 0.000 0.978 584 Q CA 2.523 58.367 55.803 0.069 0.000 0.844 584 Q CB -0.763 28.036 28.738 0.103 0.000 0.898 584 Q HN 0.508 nan 8.270 nan 0.000 0.426 585 M N -0.861 118.597 119.600 -0.236 0.000 2.086 585 M HA -0.168 4.311 4.480 -0.001 0.000 0.261 585 M C 1.614 177.649 176.300 -0.442 0.000 1.067 585 M CA 1.517 56.623 55.300 -0.324 0.000 1.116 585 M CB -0.075 32.325 32.600 -0.334 0.000 1.348 585 M HN 0.331 nan 8.290 nan 0.000 0.407 586 L N 0.222 121.175 121.223 -0.449 0.000 2.046 586 L HA -0.251 4.088 4.340 -0.001 0.000 0.208 586 L C 2.558 179.142 176.870 -0.478 0.000 1.077 586 L CA 1.378 55.923 54.840 -0.493 0.000 0.747 586 L CB -1.287 40.548 42.059 -0.374 0.000 0.896 586 L HN 0.542 nan 8.230 nan 0.000 0.432 587 N N 0.487 118.828 118.700 -0.597 0.000 2.061 587 N HA -0.240 4.499 4.740 -0.001 0.000 0.193 587 N C 1.297 176.565 175.510 -0.403 0.000 1.030 587 N CA 2.184 54.878 53.050 -0.593 0.000 0.856 587 N CB -0.027 37.939 38.487 -0.870 0.000 1.023 587 N HN 0.316 nan 8.380 nan 0.000 0.424 588 D N 0.314 120.433 120.400 -0.469 0.000 2.194 588 D HA 0.043 4.683 4.640 -0.001 0.000 0.204 588 D C 1.882 177.823 176.300 -0.598 0.000 0.964 588 D CA 0.918 54.504 54.000 -0.690 0.000 0.846 588 D CB -0.448 39.742 40.800 -1.017 0.000 0.962 588 D HN 0.390 nan 8.370 nan 0.000 0.490 589 A N 0.793 123.312 122.820 -0.502 0.000 1.902 589 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 589 A C 2.309 179.872 177.584 -0.036 0.000 1.181 589 A CA 0.925 52.702 52.037 -0.434 0.000 0.623 589 A CB -0.721 17.662 19.000 -1.030 0.000 0.818 589 A HN 0.177 nan 8.150 nan 0.000 0.443 590 I N -0.481 120.081 120.570 -0.013 0.000 2.179 590 I HA -0.268 3.901 4.170 -0.001 0.000 0.242 590 I C 2.526 178.697 176.117 0.089 0.000 1.088 590 I CA 1.661 63.059 61.300 0.163 0.000 1.357 590 I CB -0.515 37.532 38.000 0.079 0.000 1.051 590 I HN 0.419 nan 8.210 nan 0.000 0.409 591 E N 0.951 121.152 120.200 0.003 0.000 2.070 591 E HA -0.275 4.075 4.350 -0.001 0.000 0.197 591 E C 2.335 179.007 176.600 0.120 0.000 1.004 591 E CA 1.524 57.966 56.400 0.069 0.000 0.805 591 E CB -0.257 29.509 29.700 0.111 0.000 0.744 591 E HN 0.546 nan 8.360 nan 0.000 0.451 592 A N 1.438 124.327 122.820 0.115 0.000 1.877 592 A HA -0.120 4.200 4.320 -0.001 0.000 0.216 592 A C 2.416 180.010 177.584 0.016 0.000 1.186 592 A CA 1.739 53.844 52.037 0.115 0.000 0.620 592 A CB -0.737 18.388 19.000 0.208 0.000 0.822 592 A HN 0.304 nan 8.150 nan 0.000 0.443 593 A N -0.136 122.760 122.820 0.128 0.000 1.883 593 A HA -0.218 4.102 4.320 -0.001 0.000 0.217 593 A C 2.117 179.679 177.584 -0.037 0.000 1.186 593 A CA 1.971 54.017 52.037 0.014 0.000 0.624 593 A CB -0.513 18.663 19.000 0.294 0.000 0.822 593 A HN 0.547 nan 8.150 nan 0.000 0.444 594 K N -0.519 119.898 120.400 0.027 0.000 2.103 594 K HA -0.106 4.213 4.320 -0.001 0.000 0.207 594 K C 2.201 178.798 176.600 -0.004 0.000 1.048 594 K CA 1.134 57.428 56.287 0.012 0.000 0.930 594 K CB -0.327 32.194 32.500 0.035 0.000 0.716 594 K HN 0.469 nan 8.250 nan 0.000 0.444 595 A N 1.370 124.193 122.820 0.004 0.000 2.067 595 A HA -0.144 4.175 4.320 -0.001 0.000 0.219 595 A C 1.610 179.165 177.584 -0.048 0.000 1.158 595 A CA 1.346 53.389 52.037 0.010 0.000 0.661 595 A CB -0.102 18.927 19.000 0.047 0.000 0.801 595 A HN 0.190 nan 8.150 nan 0.000 0.452 596 K N -1.654 118.677 120.400 -0.115 0.000 2.374 596 K HA 0.264 4.584 4.320 -0.001 0.000 0.196 596 K C 0.921 177.452 176.600 -0.115 0.000 1.023 596 K CA 0.429 56.623 56.287 -0.156 0.000 1.103 596 K CB 0.191 32.504 32.500 -0.310 0.000 0.848 596 K HN 0.572 nan 8.250 nan 0.000 0.528 597 G N 2.642 111.394 108.800 -0.080 0.000 2.160 597 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.251 597 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.251 597 G C -0.168 174.690 174.900 -0.070 0.000 1.008 597 G CA 0.390 45.454 45.100 -0.060 0.000 0.724 597 G HN 0.472 nan 8.290 nan 0.000 0.514 598 D N -0.983 119.362 120.400 -0.092 0.000 2.735 598 D HA -0.154 4.486 4.640 -0.001 0.000 0.235 598 D C 0.177 176.424 176.300 -0.088 0.000 1.175 598 D CA 1.203 55.150 54.000 -0.088 0.000 0.683 598 D CB -0.205 40.558 40.800 -0.062 0.000 1.008 598 D HN 0.435 nan 8.370 nan 0.000 0.416 599 P HA -0.089 nan 4.420 nan 0.000 0.221 599 P C 0.868 178.139 177.300 -0.048 0.000 1.150 599 P CA 0.747 63.806 63.100 -0.069 0.000 0.800 599 P CB 0.294 31.951 31.700 -0.072 0.000 0.787 600 D N -0.414 119.964 120.400 -0.036 0.000 2.323 600 D HA 0.080 4.720 4.640 -0.001 0.000 0.209 600 D C 1.362 177.609 176.300 -0.089 0.000 0.973 600 D CA 1.054 55.040 54.000 -0.024 0.000 0.874 600 D CB -0.558 40.272 40.800 0.050 0.000 0.930 600 D HN 0.196 nan 8.370 nan 0.000 0.521 601 G N 1.156 109.886 108.800 -0.116 0.000 2.289 601 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.280 601 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.280 601 G C 0.632 175.385 174.900 -0.246 0.000 1.089 601 G CA 0.184 45.197 45.100 -0.145 0.000 0.939 601 G HN 0.391 nan 8.290 nan 0.000 0.499 602 L N -0.930 120.066 121.223 -0.378 0.000 2.731 602 L HA 0.164 4.503 4.340 -0.001 0.000 0.240 602 L C 2.515 178.942 176.870 -0.740 0.000 1.120 602 L CA 0.046 54.425 54.840 -0.768 0.000 0.913 602 L CB 0.346 41.593 42.059 -1.353 0.000 1.213 602 L HN 0.236 nan 8.230 nan 0.000 0.515 603 V N 0.276 119.998 119.914 -0.319 0.000 2.307 603 V HA -0.023 4.097 4.120 -0.001 0.000 0.245 603 V C 1.784 177.839 176.094 -0.065 0.000 1.045 603 V CA 1.614 63.871 62.300 -0.070 0.000 1.024 603 V CB -1.078 30.750 31.823 0.008 0.000 0.651 603 V HN 0.635 nan 8.190 nan 0.000 0.449 604 G N 1.155 109.893 108.800 -0.103 0.000 2.566 604 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.280 604 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.280 604 G C -0.177 174.703 174.900 -0.033 0.000 1.225 604 G CA 0.662 45.716 45.100 -0.077 0.000 0.966 604 G HN 1.170 nan 8.290 nan 0.000 0.560 605 N N -3.739 114.951 118.700 -0.018 0.000 3.387 605 N HA 0.551 5.291 4.740 -0.001 0.000 0.294 605 N C 0.093 175.610 175.510 0.011 0.000 1.519 605 N CA 0.584 53.632 53.050 -0.003 0.000 0.875 605 N CB 0.492 38.972 38.487 -0.013 0.000 1.657 605 N HN 1.269 nan 8.380 nan 0.000 0.527 606 T N -3.682 110.881 114.554 0.015 0.000 3.248 606 T HA 0.321 4.670 4.350 -0.001 0.000 0.271 606 T C -0.415 174.294 174.700 0.016 0.000 1.005 606 T CA -0.281 61.835 62.100 0.026 0.000 0.902 606 T CB -1.033 67.855 68.868 0.033 0.000 1.102 606 T HN 0.478 nan 8.240 nan 0.000 0.548 607 T N 3.529 118.084 114.554 0.002 0.000 2.814 607 T HA 0.212 4.562 4.350 -0.001 0.000 0.297 607 T C -0.052 174.642 174.700 -0.010 0.000 0.956 607 T CA -0.182 61.915 62.100 -0.006 0.000 1.123 607 T CB 0.276 69.135 68.868 -0.015 0.000 0.902 607 T HN 0.412 nan 8.240 nan 0.000 0.528 608 D N 0.524 120.921 120.400 -0.005 0.000 2.697 608 D HA -0.161 4.479 4.640 -0.001 0.000 0.238 608 D C -0.081 176.219 176.300 -0.000 0.000 1.152 608 D CA 0.353 54.348 54.000 -0.008 0.000 0.666 608 D CB -1.263 39.523 40.800 -0.024 0.000 1.037 608 D HN 0.558 nan 8.370 nan 0.000 0.423 609 c N 1.291 119.907 118.600 0.025 0.000 2.264 609 c HA 0.666 5.236 4.570 -0.001 0.000 0.324 609 c C 0.220 174.363 174.090 0.088 0.000 1.267 609 c CA -0.091 56.276 56.329 0.065 0.000 1.618 609 c CB 0.795 43.348 42.510 0.072 0.000 2.278 609 c HN 0.419 nan 8.230 nan 0.000 0.499 610 S N 3.524 119.306 115.700 0.137 0.000 2.541 610 S HA 0.644 5.114 4.470 -0.001 0.000 0.271 610 S C 0.626 175.370 174.600 0.240 0.000 1.133 610 S CA 0.189 58.467 58.200 0.130 0.000 0.876 610 S CB 1.673 64.921 63.200 0.079 0.000 1.105 610 S HN 1.415 nan 8.310 nan 0.000 0.470 611 A N 2.361 125.272 122.820 0.151 0.000 2.076 611 A HA -0.047 4.273 4.320 -0.001 0.000 0.220 611 A C 1.387 179.120 177.584 0.248 0.000 1.160 611 A CA 1.976 54.106 52.037 0.156 0.000 0.653 611 A CB -0.757 18.239 19.000 -0.007 0.000 0.801 611 A HN 0.847 nan 8.150 nan 0.000 0.455 612 D N 0.459 120.957 120.400 0.163 0.000 2.263 612 D HA -0.119 4.521 4.640 -0.001 0.000 0.208 612 D C 1.213 177.598 176.300 0.142 0.000 0.971 612 D CA 0.888 54.966 54.000 0.130 0.000 0.867 612 D CB -0.372 40.469 40.800 0.068 0.000 0.929 612 D HN 0.383 nan 8.370 nan 0.000 0.492 613 N N -0.276 118.521 118.700 0.162 0.000 2.443 613 N HA -0.131 4.609 4.740 -0.001 0.000 0.184 613 N C 1.171 176.563 175.510 -0.197 0.000 1.037 613 N CA 0.419 53.428 53.050 -0.070 0.000 0.896 613 N CB -0.197 38.148 38.487 -0.236 0.000 0.959 613 N HN 0.439 nan 8.380 nan 0.000 0.442 614 W N 1.346 122.655 121.300 0.016 0.000 3.256 614 W HA 0.347 5.007 4.660 -0.001 0.000 0.269 614 W C 0.320 177.011 176.519 0.286 0.000 1.310 614 W CA -0.724 56.723 57.345 0.170 0.000 1.673 614 W CB -0.119 29.434 29.460 0.156 0.000 1.115 614 W HN -0.082 nan 8.180 nan 0.000 0.686 615 A N 1.973 124.971 122.820 0.297 0.000 2.540 615 A HA 0.173 4.493 4.320 -0.001 0.000 0.239 615 A C 0.177 177.885 177.584 0.205 0.000 1.061 615 A CA 0.714 52.875 52.037 0.206 0.000 0.758 615 A CB 0.203 19.275 19.000 0.120 0.000 0.991 615 A HN 0.218 nan 8.150 nan 0.000 0.502 616 K N 1.240 121.701 120.400 0.102 0.000 2.435 616 K HA 0.318 4.637 4.320 -0.001 0.000 0.251 616 K C -0.456 176.143 176.600 -0.002 0.000 0.954 616 K CA -0.933 55.350 56.287 -0.007 0.000 0.820 616 K CB 1.620 34.054 32.500 -0.108 0.000 1.292 616 K HN 0.890 nan 8.250 nan 0.000 0.436 617 N N -0.108 118.577 118.700 -0.025 0.000 2.327 617 N HA 0.010 4.749 4.740 -0.001 0.000 0.257 617 N C 0.197 175.696 175.510 -0.018 0.000 1.281 617 N CA -0.073 52.969 53.050 -0.013 0.000 0.942 617 N CB 0.308 38.787 38.487 -0.013 0.000 1.199 617 N HN 0.409 nan 8.380 nan 0.000 0.532 618 D N -1.222 119.172 120.400 -0.009 0.000 2.221 618 D HA -0.147 4.492 4.640 -0.001 0.000 0.204 618 D C 1.412 177.705 176.300 -0.012 0.000 0.982 618 D CA 1.586 55.581 54.000 -0.007 0.000 0.857 618 D CB -0.377 40.420 40.800 -0.004 0.000 0.934 618 D HN 0.683 nan 8.370 nan 0.000 0.475 619 S N -1.374 114.315 115.700 -0.018 0.000 2.527 619 S HA 0.193 4.662 4.470 -0.001 0.000 0.222 619 S C 1.685 176.267 174.600 -0.030 0.000 0.985 619 S CA 0.793 58.982 58.200 -0.018 0.000 0.921 619 S CB 0.508 63.700 63.200 -0.014 0.000 0.772 619 S HN 0.289 nan 8.310 nan 0.000 0.529 620 G N 1.192 109.956 108.800 -0.060 0.000 2.138 620 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.193 620 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.193 620 G C -0.281 174.477 174.900 -0.238 0.000 0.998 620 G CA -0.067 44.966 45.100 -0.111 0.000 0.668 620 G HN 0.633 nan 8.290 nan 0.000 0.516 621 N N 0.020 118.598 118.700 -0.203 0.000 2.405 621 N HA 0.610 5.349 4.740 -0.001 0.000 0.299 621 N C -0.139 175.229 175.510 -0.236 0.000 1.075 621 N CA -0.660 52.245 53.050 -0.242 0.000 0.884 621 N CB 0.549 38.981 38.487 -0.092 0.000 1.194 621 N HN -0.077 nan 8.380 nan 0.000 0.491 622 F N 0.942 120.844 119.950 -0.080 0.000 2.538 622 F HA 0.051 4.577 4.527 -0.001 0.000 0.371 622 F C 2.157 177.913 175.800 -0.073 0.000 1.087 622 F CA -0.006 57.935 58.000 -0.098 0.000 1.250 622 F CB 0.546 39.446 39.000 -0.167 0.000 1.110 622 F HN 0.502 nan 8.300 nan 0.000 0.570 623 T N -2.524 112.112 114.554 0.137 0.000 3.043 623 T HA -0.052 4.298 4.350 -0.001 0.000 0.263 623 T C 0.457 175.178 174.700 0.036 0.000 1.094 623 T CA 0.461 62.598 62.100 0.062 0.000 1.127 623 T CB -0.080 68.815 68.868 0.045 0.000 0.905 623 T HN 0.391 nan 8.240 nan 0.000 0.490 624 D N 1.047 121.461 120.400 0.024 0.000 2.477 624 D HA 0.629 5.268 4.640 -0.001 0.000 0.239 624 D C 1.069 177.321 176.300 -0.081 0.000 1.102 624 D CA -0.367 53.611 54.000 -0.037 0.000 0.901 624 D CB 1.005 41.766 40.800 -0.065 0.000 1.026 624 D HN 0.194 nan 8.370 nan 0.000 0.515 625 A N 3.767 126.557 122.820 -0.049 0.000 2.019 625 A HA -0.154 4.165 4.320 -0.001 0.000 0.219 625 A C 1.584 179.087 177.584 -0.135 0.000 1.164 625 A CA 1.009 53.007 52.037 -0.065 0.000 0.644 625 A CB 0.024 19.011 19.000 -0.022 0.000 0.805 625 A HN 0.466 nan 8.150 nan 0.000 0.449 626 N N -0.417 118.206 118.700 -0.129 0.000 2.205 626 N HA 0.262 5.002 4.740 -0.001 0.000 0.201 626 N C 0.403 175.809 175.510 -0.172 0.000 1.128 626 N CA 0.630 53.598 53.050 -0.137 0.000 0.867 626 N CB 0.104 38.536 38.487 -0.092 0.000 0.996 626 N HN 0.425 nan 8.380 nan 0.000 0.503 627 A N 1.171 123.862 122.820 -0.214 0.000 2.483 627 A HA 0.047 4.367 4.320 -0.001 0.000 0.238 627 A C 0.643 178.033 177.584 -0.324 0.000 1.070 627 A CA -0.210 51.682 52.037 -0.242 0.000 0.770 627 A CB 0.014 18.859 19.000 -0.258 0.000 1.008 627 A HN 0.167 nan 8.150 nan 0.000 0.497 628 N N 0.893 119.442 118.700 -0.252 0.000 2.416 628 N HA 0.058 4.797 4.740 -0.001 0.000 0.271 628 N C 0.157 175.445 175.510 -0.370 0.000 1.245 628 N CA 0.410 53.321 53.050 -0.230 0.000 0.940 628 N CB -0.084 38.335 38.487 -0.113 0.000 1.175 628 N HN 0.548 nan 8.380 nan 0.000 0.483 629 R N 1.215 121.435 120.500 -0.466 0.000 2.700 629 R HA 0.122 4.462 4.340 -0.001 0.000 0.399 629 R C 0.190 176.415 176.300 -0.123 0.000 1.115 629 R CA -0.407 55.331 56.100 -0.605 0.000 1.058 629 R CB 0.134 29.725 30.300 -1.181 0.000 1.389 629 R HN 0.573 nan 8.270 nan 0.000 0.582 630 S N -0.862 114.804 115.700 -0.058 0.000 2.589 630 S HA 0.021 4.490 4.470 -0.001 0.000 0.265 630 S C 0.978 175.688 174.600 0.184 0.000 1.342 630 S CA -0.638 57.545 58.200 -0.027 0.000 1.005 630 S CB 0.667 63.829 63.200 -0.064 0.000 0.909 630 S HN 0.271 nan 8.310 nan 0.000 0.555 631 W N 0.989 122.304 121.300 0.024 0.000 2.338 631 W HA -0.052 4.608 4.660 -0.001 0.000 0.304 631 W C 2.800 179.309 176.519 -0.016 0.000 1.212 631 W CA 0.733 58.084 57.345 0.010 0.000 1.264 631 W CB -2.067 27.384 29.460 -0.015 0.000 1.142 631 W HN 0.713 nan 8.180 nan 0.000 0.512 632 S N -0.299 115.513 115.700 0.188 0.000 2.368 632 S HA -0.209 4.261 4.470 -0.001 0.000 0.225 632 S C 2.002 176.653 174.600 0.085 0.000 1.030 632 S CA 1.530 59.783 58.200 0.088 0.000 0.999 632 S CB -0.946 62.285 63.200 0.052 0.000 0.844 632 S HN 0.384 nan 8.310 nan 0.000 0.459 633 c N 2.006 120.679 118.600 0.121 0.000 2.436 633 c HA 0.032 4.602 4.570 -0.001 0.000 0.277 633 c C 2.965 177.164 174.090 0.182 0.000 1.241 633 c CA 0.934 57.355 56.329 0.153 0.000 1.721 633 c CB -1.494 41.125 42.510 0.182 0.000 2.043 633 c HN 0.569 nan 8.230 nan 0.000 0.472 634 A N 0.461 123.436 122.820 0.259 0.000 1.908 634 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 634 A C 2.331 179.902 177.584 -0.020 0.000 1.181 634 A CA 2.177 54.271 52.037 0.096 0.000 0.627 634 A CB -0.884 18.246 19.000 0.217 0.000 0.818 634 A HN 0.796 nan 8.150 nan 0.000 0.445 635 K N 0.357 120.756 120.400 -0.002 0.000 2.063 635 K HA -0.177 4.143 4.320 -0.001 0.000 0.208 635 K C 2.160 178.773 176.600 0.022 0.000 1.048 635 K CA 1.955 58.196 56.287 -0.076 0.000 0.928 635 K CB -0.236 32.136 32.500 -0.214 0.000 0.713 635 K HN 0.604 nan 8.250 nan 0.000 0.442 636 S N 0.277 115.999 115.700 0.037 0.000 2.481 636 S HA -0.048 4.421 4.470 -0.001 0.000 0.231 636 S C 1.759 176.384 174.600 0.043 0.000 0.996 636 S CA 0.591 58.833 58.200 0.069 0.000 0.942 636 S CB -0.203 63.032 63.200 0.059 0.000 0.768 636 S HN 0.347 nan 8.310 nan 0.000 0.520 637 L N 0.220 121.439 121.223 -0.006 0.000 2.567 637 L HA 0.309 4.649 4.340 -0.001 0.000 0.225 637 L C 2.029 178.841 176.870 -0.096 0.000 1.119 637 L CA 0.100 54.901 54.840 -0.065 0.000 0.871 637 L CB -0.272 41.706 42.059 -0.135 0.000 1.036 637 L HN 0.289 nan 8.230 nan 0.000 0.459 638 L N -0.263 120.932 121.223 -0.047 0.000 2.072 638 L HA -0.081 4.259 4.340 -0.001 0.000 0.205 638 L C 0.745 177.559 176.870 -0.093 0.000 1.079 638 L CA 0.514 55.318 54.840 -0.060 0.000 0.752 638 L CB -0.287 41.800 42.059 0.045 0.000 0.906 638 L HN 0.160 nan 8.230 nan 0.000 0.436 639 K N -0.598 119.785 120.400 -0.029 0.000 3.730 639 K HA -0.182 4.138 4.320 -0.001 0.000 0.276 639 K C -1.875 174.665 176.600 -0.101 0.000 0.904 639 K CA 0.168 56.418 56.287 -0.062 0.000 0.741 639 K CB -0.876 31.574 32.500 -0.084 0.000 1.542 639 K HN 0.274 nan 8.250 nan 0.000 0.446 640 P HA -0.092 nan 4.420 nan 0.000 0.221 640 P C 0.388 177.672 177.300 -0.026 0.000 1.150 640 P CA 0.938 64.019 63.100 -0.031 0.000 0.800 640 P CB 0.188 31.807 31.700 -0.134 0.000 0.787 641 I N 0.827 121.259 120.570 -0.229 0.000 2.354 641 I HA 0.324 4.493 4.170 -0.001 0.000 0.292 641 I C 0.398 176.258 176.117 -0.429 0.000 0.989 641 I CA -0.809 60.233 61.300 -0.430 0.000 1.188 641 I CB 1.105 38.605 38.000 -0.834 0.000 1.342 641 I HN -0.078 nan 8.210 nan 0.000 0.457 642 E N 4.462 124.501 120.200 -0.269 0.000 2.293 642 E HA 0.469 4.818 4.350 -0.001 0.000 0.270 642 E C -1.249 175.270 176.600 -0.135 0.000 0.879 642 E CA -0.772 55.532 56.400 -0.160 0.000 0.756 642 E CB 3.301 33.008 29.700 0.011 0.000 1.208 642 E HN 0.222 nan 8.360 nan 0.000 0.428 643 V N 2.339 122.225 119.914 -0.047 0.000 2.461 643 V HA 0.345 4.465 4.120 -0.001 0.000 0.275 643 V C 0.789 176.898 176.094 0.025 0.000 1.047 643 V CA -0.302 62.007 62.300 0.016 0.000 0.955 643 V CB 1.112 32.994 31.823 0.098 0.000 0.988 643 V HN 0.779 nan 8.190 nan 0.000 0.471 644 G N 2.569 111.379 108.800 0.017 0.000 2.588 644 G HA2 0.254 4.214 3.960 -0.001 0.000 0.281 644 G HA3 0.254 4.214 3.960 -0.001 0.000 0.281 644 G C 0.287 175.205 174.900 0.030 0.000 1.236 644 G CA -0.345 44.766 45.100 0.017 0.000 0.969 644 G HN 0.736 nan 8.290 nan 0.000 0.504 645 D N -0.617 119.797 120.400 0.023 0.000 2.311 645 D HA -0.050 4.590 4.640 -0.001 0.000 0.212 645 D C 2.241 178.563 176.300 0.038 0.000 0.972 645 D CA 1.297 55.314 54.000 0.028 0.000 0.887 645 D CB 0.201 41.012 40.800 0.018 0.000 0.915 645 D HN 0.190 nan 8.370 nan 0.000 0.497 646 S N -1.054 114.669 115.700 0.037 0.000 2.577 646 S HA 0.321 4.791 4.470 -0.001 0.000 0.219 646 S C 1.572 176.254 174.600 0.136 0.000 0.962 646 S CA 0.285 58.533 58.200 0.081 0.000 0.921 646 S CB 0.673 63.887 63.200 0.023 0.000 0.789 646 S HN 0.414 nan 8.310 nan 0.000 0.497 647 G N 2.554 111.412 108.800 0.096 0.000 2.143 647 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.248 647 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.248 647 G C 0.028 174.996 174.900 0.113 0.000 0.991 647 G CA 0.317 45.477 45.100 0.100 0.000 0.689 647 G HN 0.581 nan 8.290 nan 0.000 0.522 648 Q N 0.634 120.498 119.800 0.107 0.000 2.221 648 Q HA 0.577 4.916 4.340 -0.001 0.000 0.242 648 Q C 0.379 176.409 176.000 0.049 0.000 0.940 648 Q CA -1.003 54.866 55.803 0.109 0.000 0.896 648 Q CB 1.142 29.941 28.738 0.101 0.000 1.226 648 Q HN 0.282 nan 8.270 nan 0.000 0.463 649 I N 2.187 122.782 120.570 0.040 0.000 2.587 649 I HA 0.023 4.192 4.170 -0.001 0.000 0.284 649 I C 0.846 176.975 176.117 0.020 0.000 1.134 649 I CA 0.228 61.520 61.300 -0.012 0.000 1.410 649 I CB -0.286 37.679 38.000 -0.058 0.000 1.392 649 I HN 0.520 nan 8.210 nan 0.000 0.545 650 K N 5.496 125.845 120.400 -0.086 0.000 2.448 650 K HA -0.050 4.269 4.320 -0.001 0.000 0.278 650 K C 0.997 177.390 176.600 -0.345 0.000 1.009 650 K CA 0.108 56.285 56.287 -0.184 0.000 0.995 650 K CB 1.043 33.431 32.500 -0.186 0.000 0.917 650 K HN 0.548 nan 8.250 nan 0.000 0.481 651 E N 3.322 123.155 120.200 -0.612 0.000 2.190 651 E HA -0.016 4.334 4.350 -0.001 0.000 0.191 651 E C -0.424 175.398 176.600 -1.296 0.000 0.978 651 E CA 0.433 56.158 56.400 -1.125 0.000 0.839 651 E CB 0.465 29.084 29.700 -1.801 0.000 0.787 651 E HN 0.428 nan 8.360 nan 0.000 0.473 652 W N -0.497 120.434 121.300 -0.615 0.000 2.844 652 W HA 0.221 4.880 4.660 -0.001 0.000 0.340 652 W C -0.244 175.777 176.519 -0.830 0.000 1.093 652 W CA -0.858 55.973 57.345 -0.857 0.000 1.212 652 W CB 0.394 29.096 29.460 -1.263 0.000 1.422 652 W HN 0.036 nan 8.180 nan 0.000 0.515 653 Y N 0.770 120.929 120.300 -0.234 0.000 2.616 653 Y HA -0.154 4.396 4.550 -0.001 0.000 0.296 653 Y C 1.857 177.738 175.900 -0.031 0.000 1.154 653 Y CA 0.781 58.813 58.100 -0.112 0.000 1.325 653 Y CB -0.615 37.820 38.460 -0.042 0.000 1.007 653 Y HN 0.224 nan 8.280 nan 0.000 0.542 654 F N -0.849 119.227 119.950 0.211 0.000 2.727 654 F HA 0.298 4.824 4.527 -0.001 0.000 0.302 654 F C 0.536 176.384 175.800 0.080 0.000 1.097 654 F CA -1.317 56.756 58.000 0.122 0.000 1.330 654 F CB -0.930 38.116 39.000 0.077 0.000 1.084 654 F HN -0.118 nan 8.300 nan 0.000 0.578 655 E N 0.806 121.110 120.200 0.172 0.000 2.383 655 E HA 0.441 4.791 4.350 -0.001 0.000 0.264 655 E C 0.723 177.389 176.600 0.111 0.000 1.050 655 E CA 0.262 56.765 56.400 0.173 0.000 0.896 655 E CB 0.893 30.634 29.700 0.068 0.000 0.982 655 E HN 0.352 nan 8.360 nan 0.000 0.424 656 G N 2.704 111.549 108.800 0.075 0.000 2.727 656 G HA2 0.465 4.425 3.960 -0.001 0.000 0.212 656 G HA3 0.465 4.425 3.960 -0.001 0.000 0.212 656 G C -0.187 174.714 174.900 0.001 0.000 2.076 656 G CA 0.293 45.416 45.100 0.038 0.000 0.744 656 G HN 0.724 nan 8.290 nan 0.000 0.775 657 A N -0.442 122.365 122.820 -0.021 0.000 2.327 657 A HA 0.573 4.893 4.320 -0.001 0.000 0.255 657 A C 0.054 177.563 177.584 -0.125 0.000 1.099 657 A CA -0.385 51.618 52.037 -0.057 0.000 0.801 657 A CB 0.212 19.183 19.000 -0.049 0.000 1.062 657 A HN 0.873 nan 8.150 nan 0.000 0.496 658 L N 0.889 121.990 121.223 -0.203 0.000 2.540 658 L HA 0.412 4.752 4.340 -0.001 0.000 0.276 658 L C 1.385 177.983 176.870 -0.453 0.000 1.212 658 L CA 2.005 56.645 54.840 -0.334 0.000 0.893 658 L CB 0.009 41.770 42.059 -0.496 0.000 1.138 658 L HN 1.576 nan 8.230 nan 0.000 0.491 659 G N 2.579 110.924 108.800 -0.759 0.000 2.175 659 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.265 659 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.265 659 G C 0.390 175.065 174.900 -0.375 0.000 0.979 659 G CA 0.805 45.307 45.100 -0.997 0.000 0.663 659 G HN 0.647 nan 8.290 nan 0.000 0.533 660 K N -0.565 119.709 120.400 -0.211 0.000 2.444 660 K HA 0.590 4.910 4.320 -0.001 0.000 0.252 660 K C 0.123 176.723 176.600 -0.000 0.000 0.993 660 K CA -1.015 55.216 56.287 -0.094 0.000 0.847 660 K CB 1.730 34.184 32.500 -0.078 0.000 1.340 660 K HN 0.097 nan 8.250 nan 0.000 0.446 661 K N 1.087 121.498 120.400 0.018 0.000 2.109 661 K HA 0.249 4.568 4.320 -0.001 0.000 0.243 661 K C 0.698 177.337 176.600 0.066 0.000 1.006 661 K CA -0.566 55.777 56.287 0.093 0.000 0.917 661 K CB 0.757 33.251 32.500 -0.010 0.000 1.081 661 K HN 0.404 nan 8.250 nan 0.000 0.468 662 K N 1.096 121.555 120.400 0.099 0.000 2.089 662 K HA -0.224 4.095 4.320 -0.001 0.000 0.210 662 K C 1.207 177.826 176.600 0.032 0.000 1.048 662 K CA 2.297 58.624 56.287 0.067 0.000 0.926 662 K CB -0.166 32.382 32.500 0.080 0.000 0.714 662 K HN 0.634 nan 8.250 nan 0.000 0.448 663 D N -1.446 118.963 120.400 0.016 0.000 2.349 663 D HA 0.006 4.645 4.640 -0.001 0.000 0.224 663 D C 1.090 177.386 176.300 -0.008 0.000 1.029 663 D CA 0.893 54.893 54.000 -0.000 0.000 0.879 663 D CB 0.296 41.089 40.800 -0.013 0.000 0.906 663 D HN 0.333 nan 8.370 nan 0.000 0.528 664 G N -0.033 108.762 108.800 -0.008 0.000 2.194 664 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.236 664 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.236 664 G C 0.417 175.300 174.900 -0.027 0.000 0.987 664 G CA 0.245 45.336 45.100 -0.014 0.000 0.635 664 G HN 0.827 nan 8.290 nan 0.000 0.520 665 S N 0.824 116.502 115.700 -0.038 0.000 2.579 665 S HA 0.542 5.011 4.470 -0.001 0.000 0.275 665 S C 0.696 175.258 174.600 -0.064 0.000 1.345 665 S CA 0.716 58.884 58.200 -0.053 0.000 1.031 665 S CB 1.148 64.306 63.200 -0.071 0.000 0.892 665 S HN 1.669 nan 8.310 nan 0.000 0.529 666 T N 0.386 114.903 114.554 -0.062 0.000 2.919 666 T HA 0.402 4.751 4.350 -0.001 0.000 0.302 666 T C 0.224 174.869 174.700 -0.092 0.000 1.031 666 T CA -0.757 61.305 62.100 -0.064 0.000 1.127 666 T CB -0.260 68.588 68.868 -0.033 0.000 0.952 666 T HN 0.577 nan 8.240 nan 0.000 0.540 667 I N 2.749 123.257 120.570 -0.102 0.000 2.416 667 I HA 0.163 4.333 4.170 -0.001 0.000 0.288 667 I C 1.026 177.094 176.117 -0.083 0.000 1.051 667 I CA -0.407 60.808 61.300 -0.141 0.000 1.375 667 I CB 1.248 39.127 38.000 -0.202 0.000 1.407 667 I HN 0.713 nan 8.210 nan 0.000 0.516 668 S N 4.593 120.227 115.700 -0.110 0.000 2.528 668 S HA 0.397 4.867 4.470 -0.001 0.000 0.277 668 S C 1.032 175.616 174.600 -0.026 0.000 1.297 668 S CA 0.531 58.700 58.200 -0.051 0.000 1.052 668 S CB 0.468 63.631 63.200 -0.061 0.000 0.917 668 S HN 1.041 nan 8.310 nan 0.000 0.492 669 G N 3.456 112.276 108.800 0.033 0.000 2.199 669 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.254 669 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.254 669 G C 0.015 174.956 174.900 0.068 0.000 0.982 669 G CA 0.357 45.495 45.100 0.063 0.000 0.632 669 G HN 0.954 nan 8.290 nan 0.000 0.529 670 Y N 2.081 122.354 120.300 -0.045 0.000 2.620 670 Y HA 0.379 4.929 4.550 -0.001 0.000 0.330 670 Y C 0.917 176.842 175.900 0.041 0.000 1.186 670 Y CA 0.524 58.630 58.100 0.011 0.000 1.467 670 Y CB 0.575 39.039 38.460 0.006 0.000 1.262 670 Y HN 0.358 nan 8.280 nan 0.000 0.550 671 Q N 6.009 125.416 119.800 -0.655 0.000 2.325 671 Q HA 0.227 4.567 4.340 -0.001 0.000 0.256 671 Q C 0.795 176.539 176.000 -0.427 0.000 1.142 671 Q CA 0.210 55.783 55.803 -0.384 0.000 0.902 671 Q CB 0.707 29.340 28.738 -0.175 0.000 1.350 671 Q HN 0.999 nan 8.270 nan 0.000 0.449 672 A N 4.019 126.797 122.820 -0.071 0.000 2.019 672 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 672 A C 1.263 178.921 177.584 0.123 0.000 1.164 672 A CA 1.652 53.762 52.037 0.122 0.000 0.644 672 A CB -0.224 18.855 19.000 0.131 0.000 0.805 672 A HN 0.943 nan 8.150 nan 0.000 0.449 673 D N -1.379 119.056 120.400 0.059 0.000 2.363 673 D HA -0.081 4.559 4.640 -0.001 0.000 0.226 673 D C 0.359 176.727 176.300 0.114 0.000 1.020 673 D CA 0.653 54.705 54.000 0.087 0.000 0.892 673 D CB -0.576 40.262 40.800 0.063 0.000 0.900 673 D HN 0.358 nan 8.370 nan 0.000 0.531 674 N N -0.502 118.254 118.700 0.094 0.000 2.936 674 N HA -0.170 4.569 4.740 -0.001 0.000 0.236 674 N C -0.026 175.560 175.510 0.127 0.000 0.930 674 N CA 1.063 54.209 53.050 0.161 0.000 0.966 674 N CB -1.227 37.444 38.487 0.306 0.000 1.090 674 N HN 0.380 nan 8.380 nan 0.000 0.592 675 Q N 0.658 120.501 119.800 0.072 0.000 2.228 675 Q HA 0.092 4.431 4.340 -0.001 0.000 0.211 675 Q C 0.370 176.389 176.000 0.031 0.000 0.890 675 Q CA 0.024 55.856 55.803 0.049 0.000 0.953 675 Q CB -0.437 28.307 28.738 0.010 0.000 1.053 675 Q HN 0.549 nan 8.270 nan 0.000 0.471 676 H N 1.960 121.008 119.070 -0.037 0.000 3.064 676 H HA -0.056 4.500 4.556 -0.001 0.000 0.329 676 H C 1.366 176.697 175.328 0.004 0.000 1.020 676 H CA 0.560 56.602 56.048 -0.010 0.000 1.402 676 H CB 0.820 30.579 29.762 -0.006 0.000 1.379 676 H HN 0.270 nan 8.280 nan 0.000 0.594 677 R N 4.111 124.228 120.500 -0.637 0.000 2.081 677 R HA -0.054 4.286 4.340 -0.001 0.000 0.235 677 R C 0.269 176.289 176.300 -0.466 0.000 1.131 677 R CA 0.762 56.496 56.100 -0.609 0.000 0.960 677 R CB -0.303 29.568 30.300 -0.715 0.000 0.856 677 R HN 0.581 nan 8.270 nan 0.000 0.436 678 H N 0.962 119.885 119.070 -0.246 0.000 2.707 678 H HA 0.182 4.737 4.556 -0.001 0.000 0.359 678 H C 0.083 175.555 175.328 0.240 0.000 1.113 678 H CA 0.328 56.534 56.048 0.263 0.000 1.422 678 H CB 1.089 31.049 29.762 0.330 0.000 1.443 678 H HN 0.150 nan 8.280 nan 0.000 0.591 679 M N 2.299 122.128 119.600 0.381 0.000 2.746 679 M HA 0.116 4.596 4.480 -0.001 0.000 0.209 679 M C 0.722 177.164 176.300 0.237 0.000 1.077 679 M CA -0.186 55.288 55.300 0.290 0.000 0.695 679 M CB 0.883 33.567 32.600 0.140 0.000 1.416 679 M HN 0.378 nan 8.290 nan 0.000 0.459 680 S N -0.023 115.826 115.700 0.247 0.000 2.453 680 S HA -0.090 4.380 4.470 -0.001 0.000 0.231 680 S C 1.714 176.369 174.600 0.091 0.000 1.005 680 S CA 1.001 59.248 58.200 0.077 0.000 0.949 680 S CB -0.295 62.746 63.200 -0.265 0.000 0.774 680 S HN 0.680 nan 8.310 nan 0.000 0.510 681 H N 0.453 119.437 119.070 -0.143 0.000 2.548 681 H HA 0.253 4.808 4.556 -0.001 0.000 0.265 681 H C 1.144 176.371 175.328 -0.168 0.000 0.969 681 H CA 0.205 56.130 56.048 -0.205 0.000 1.155 681 H CB -0.494 29.069 29.762 -0.333 0.000 1.394 681 H HN 0.352 nan 8.280 nan 0.000 0.570 682 L N 1.059 122.010 121.223 -0.453 0.000 2.628 682 L HA 0.169 4.509 4.340 -0.001 0.000 0.229 682 L C 1.772 178.519 176.870 -0.206 0.000 1.137 682 L CA -0.096 54.515 54.840 -0.381 0.000 0.909 682 L CB 0.043 41.864 42.059 -0.396 0.000 1.137 682 L HN 0.115 nan 8.230 nan 0.000 0.470 683 L N -0.041 121.064 121.223 -0.196 0.000 2.353 683 L HA -0.070 4.270 4.340 -0.001 0.000 0.220 683 L C 2.510 179.241 176.870 -0.232 0.000 1.133 683 L CA 1.027 55.730 54.840 -0.229 0.000 0.798 683 L CB -0.827 40.972 42.059 -0.434 0.000 0.922 683 L HN 0.373 nan 8.230 nan 0.000 0.445 684 G N 0.453 109.114 108.800 -0.232 0.000 2.443 684 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.219 684 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.219 684 G C 1.569 176.361 174.900 -0.179 0.000 1.131 684 G CA 0.509 45.468 45.100 -0.235 0.000 0.775 684 G HN 0.267 nan 8.290 nan 0.000 0.547 685 L N -1.654 119.481 121.223 -0.147 0.000 2.102 685 L HA 0.506 4.846 4.340 -0.001 0.000 0.202 685 L C 0.122 176.993 176.870 0.003 0.000 1.076 685 L CA 0.903 55.694 54.840 -0.082 0.000 0.761 685 L CB 0.092 42.089 42.059 -0.104 0.000 0.921 685 L HN 0.090 nan 8.230 nan 0.000 0.444 686 F N -0.138 119.718 119.950 -0.156 0.000 2.588 686 F HA 0.460 4.986 4.527 -0.001 0.000 0.314 686 F C -2.219 173.483 175.800 -0.164 0.000 1.134 686 F CA -1.724 56.169 58.000 -0.178 0.000 0.961 686 F CB 1.522 40.390 39.000 -0.220 0.000 1.239 686 F HN -0.179 nan 8.300 nan 0.000 0.448 687 P HA 0.174 nan 4.420 nan 0.000 0.245 687 P C 0.642 177.600 177.300 -0.571 0.000 1.206 687 P CA 0.443 62.626 63.100 -1.528 0.000 0.781 687 P CB 0.311 31.382 31.700 -1.048 0.000 0.994 688 G N 0.648 109.264 108.800 -0.307 0.000 2.570 688 G HA2 0.123 4.082 3.960 -0.001 0.000 0.276 688 G HA3 0.123 4.082 3.960 -0.001 0.000 0.276 688 G C 0.005 174.869 174.900 -0.060 0.000 1.346 688 G CA -0.187 44.841 45.100 -0.121 0.000 1.034 688 G HN -0.034 nan 8.290 nan 0.000 0.512 689 D N -0.633 119.792 120.400 0.043 0.000 2.535 689 D HA 0.054 4.694 4.640 -0.001 0.000 0.229 689 D C 1.774 178.102 176.300 0.047 0.000 1.238 689 D CA -0.404 53.645 54.000 0.082 0.000 0.824 689 D CB 0.923 41.823 40.800 0.167 0.000 1.045 689 D HN 0.139 nan 8.370 nan 0.000 0.500 690 L N 0.266 121.398 121.223 -0.151 0.000 2.095 690 L HA 0.227 4.566 4.340 -0.001 0.000 0.204 690 L C 0.303 177.021 176.870 -0.254 0.000 1.080 690 L CA 1.421 55.964 54.840 -0.495 0.000 0.759 690 L CB 0.156 41.755 42.059 -0.766 0.000 0.914 690 L HN -0.131 nan 8.230 nan 0.000 0.439 691 I N 0.442 120.923 120.570 -0.149 0.000 2.410 691 I HA 0.344 4.513 4.170 -0.001 0.000 0.286 691 I C -0.370 175.727 176.117 -0.032 0.000 1.009 691 I CA -0.279 60.980 61.300 -0.067 0.000 1.111 691 I CB 1.421 39.379 38.000 -0.070 0.000 1.262 691 I HN 0.161 nan 8.210 nan 0.000 0.443 692 T N 1.725 116.277 114.554 -0.004 0.000 2.838 692 T HA 0.388 4.737 4.350 -0.001 0.000 0.292 692 T C 0.592 175.311 174.700 0.032 0.000 1.113 692 T CA -0.642 61.473 62.100 0.025 0.000 1.008 692 T CB 1.706 70.608 68.868 0.055 0.000 1.259 692 T HN 0.300 nan 8.240 nan 0.000 0.520 693 I N 0.901 121.507 120.570 0.059 0.000 2.423 693 I HA -0.079 4.090 4.170 -0.001 0.000 0.254 693 I C 1.552 177.698 176.117 0.048 0.000 1.151 693 I CA 1.622 62.960 61.300 0.063 0.000 1.421 693 I CB -0.512 37.548 38.000 0.100 0.000 1.079 693 I HN 0.668 nan 8.210 nan 0.000 0.431 694 D N -0.127 120.312 120.400 0.066 0.000 2.214 694 D HA -0.018 4.622 4.640 -0.001 0.000 0.217 694 D C 0.466 176.742 176.300 -0.040 0.000 0.973 694 D CA 0.596 54.595 54.000 -0.002 0.000 0.880 694 D CB -0.207 40.628 40.800 0.058 0.000 1.031 694 D HN 0.267 nan 8.370 nan 0.000 0.468 695 N N 1.289 119.985 118.700 -0.006 0.000 2.968 695 N HA 0.036 4.775 4.740 -0.001 0.000 0.271 695 N C 0.246 175.724 175.510 -0.053 0.000 1.174 695 N CA 0.035 53.066 53.050 -0.032 0.000 1.096 695 N CB 0.603 39.091 38.487 0.002 0.000 1.403 695 N HN 0.002 nan 8.380 nan 0.000 0.522 696 S N -1.241 114.413 115.700 -0.077 0.000 2.568 696 S HA 0.090 4.560 4.470 -0.001 0.000 0.232 696 S C 1.281 175.807 174.600 -0.124 0.000 0.975 696 S CA -0.475 57.683 58.200 -0.070 0.000 0.949 696 S CB 0.323 63.493 63.200 -0.051 0.000 0.829 696 S HN 0.425 nan 8.310 nan 0.000 0.479 697 E N 0.728 120.787 120.200 -0.236 0.000 2.136 697 E HA -0.227 4.123 4.350 -0.001 0.000 0.202 697 E C 0.302 176.671 176.600 -0.386 0.000 1.019 697 E CA 1.586 57.732 56.400 -0.423 0.000 0.819 697 E CB -0.096 29.139 29.700 -0.774 0.000 0.739 697 E HN 0.796 nan 8.360 nan 0.000 0.458 698 Y N -1.586 118.679 120.300 -0.059 0.000 2.467 698 Y HA 0.142 4.692 4.550 -0.001 0.000 0.250 698 Y C 1.437 177.295 175.900 -0.070 0.000 1.155 698 Y CA -0.110 57.951 58.100 -0.066 0.000 1.249 698 Y CB 0.122 38.526 38.460 -0.092 0.000 1.146 698 Y HN 0.094 nan 8.280 nan 0.000 0.524 699 M N 0.917 120.539 119.600 0.037 0.000 2.108 699 M HA -0.197 4.282 4.480 -0.001 0.000 0.261 699 M C 1.699 178.001 176.300 0.003 0.000 1.066 699 M CA 1.888 57.191 55.300 0.005 0.000 1.107 699 M CB -0.433 32.163 32.600 -0.007 0.000 1.356 699 M HN 0.272 nan 8.290 nan 0.000 0.406 700 D N -0.640 119.768 120.400 0.013 0.000 2.117 700 D HA -0.118 4.522 4.640 -0.001 0.000 0.197 700 D C 1.822 178.140 176.300 0.029 0.000 0.987 700 D CA 1.719 55.731 54.000 0.019 0.000 0.829 700 D CB -0.074 40.738 40.800 0.020 0.000 0.961 700 D HN 0.453 nan 8.370 nan 0.000 0.460 701 A N 0.303 123.156 122.820 0.055 0.000 1.930 701 A HA 0.062 4.382 4.320 -0.001 0.000 0.217 701 A C 2.336 179.926 177.584 0.011 0.000 1.175 701 A CA 1.925 53.998 52.037 0.060 0.000 0.627 701 A CB -0.969 18.089 19.000 0.097 0.000 0.815 701 A HN 0.339 nan 8.150 nan 0.000 0.443 702 A N -0.083 122.718 122.820 -0.031 0.000 1.898 702 A HA -0.130 4.189 4.320 -0.001 0.000 0.216 702 A C 2.097 179.571 177.584 -0.184 0.000 1.181 702 A CA 1.719 53.685 52.037 -0.119 0.000 0.620 702 A CB -0.421 18.500 19.000 -0.133 0.000 0.819 702 A HN 0.523 nan 8.150 nan 0.000 0.442 703 K N -0.772 119.535 120.400 -0.154 0.000 2.103 703 K HA -0.109 4.210 4.320 -0.001 0.000 0.207 703 K C 2.097 178.640 176.600 -0.094 0.000 1.048 703 K CA 1.778 57.944 56.287 -0.202 0.000 0.930 703 K CB -0.402 32.085 32.500 -0.022 0.000 0.716 703 K HN 0.482 nan 8.250 nan 0.000 0.444 704 T N 0.643 115.193 114.554 -0.007 0.000 2.708 704 T HA -0.116 4.233 4.350 -0.001 0.000 0.266 704 T C 2.085 176.885 174.700 0.166 0.000 1.037 704 T CA 1.532 63.669 62.100 0.061 0.000 1.146 704 T CB -0.209 68.727 68.868 0.113 0.000 0.865 704 T HN 0.138 nan 8.240 nan 0.000 0.435 705 S N 1.264 117.048 115.700 0.140 0.000 2.370 705 S HA -0.019 4.451 4.470 -0.001 0.000 0.226 705 S C 2.025 176.704 174.600 0.131 0.000 1.033 705 S CA 0.959 59.274 58.200 0.191 0.000 1.011 705 S CB -0.496 62.747 63.200 0.070 0.000 0.852 705 S HN 0.333 nan 8.310 nan 0.000 0.457 706 L N 0.828 121.998 121.223 -0.087 0.000 2.056 706 L HA -0.082 4.258 4.340 -0.001 0.000 0.207 706 L C 2.796 179.796 176.870 0.217 0.000 1.078 706 L CA 0.984 55.711 54.840 -0.187 0.000 0.749 706 L CB -0.384 41.086 42.059 -0.982 0.000 0.901 706 L HN 0.163 nan 8.230 nan 0.000 0.433 707 R N -0.499 120.173 120.500 0.288 0.000 2.103 707 R HA -0.205 4.135 4.340 -0.001 0.000 0.242 707 R C 2.180 178.686 176.300 0.343 0.000 1.142 707 R CA 1.688 58.050 56.100 0.437 0.000 0.960 707 R CB -0.927 29.427 30.300 0.090 0.000 0.858 707 R HN 0.350 nan 8.270 nan 0.000 0.439 708 Y N 0.465 120.921 120.300 0.261 0.000 2.242 708 Y HA -0.059 4.490 4.550 -0.001 0.000 0.291 708 Y C 2.352 178.383 175.900 0.218 0.000 1.137 708 Y CA 1.002 59.240 58.100 0.229 0.000 1.181 708 Y CB -0.080 38.498 38.460 0.196 0.000 0.989 708 Y HN -0.125 nan 8.280 nan 0.000 0.527 709 R N -1.349 119.368 120.500 0.361 0.000 2.316 709 R HA -0.014 4.325 4.340 -0.001 0.000 0.202 709 R C 1.117 177.513 176.300 0.161 0.000 1.029 709 R CA 0.769 57.011 56.100 0.236 0.000 1.018 709 R CB -0.695 29.717 30.300 0.187 0.000 0.888 709 R HN 0.378 nan 8.270 nan 0.000 0.471 710 C N -1.981 117.445 119.300 0.209 0.000 3.480 710 C HA 0.386 4.846 4.460 -0.001 0.000 0.480 710 C C 0.180 175.006 174.990 -0.273 0.000 1.410 710 C CA -0.470 58.534 59.018 -0.024 0.000 2.172 710 C CB 0.087 27.843 27.740 0.026 0.000 3.162 710 C HN 0.049 nan 8.230 nan 0.000 0.635 711 F N 1.314 121.328 119.950 0.107 0.000 2.551 711 F HA 0.452 4.979 4.527 -0.001 0.000 0.316 711 F C 0.093 175.935 175.800 0.069 0.000 1.089 711 F CA -0.606 57.427 58.000 0.055 0.000 0.915 711 F CB 1.111 40.125 39.000 0.024 0.000 1.186 711 F HN -0.289 nan 8.300 nan 0.000 0.456 712 K N 2.324 122.863 120.400 0.233 0.000 2.389 712 K HA 0.518 4.837 4.320 -0.001 0.000 0.261 712 K C 0.569 177.265 176.600 0.159 0.000 1.014 712 K CA -0.180 56.214 56.287 0.177 0.000 0.920 712 K CB 1.347 33.920 32.500 0.122 0.000 1.149 712 K HN 0.868 nan 8.250 nan 0.000 0.444 713 G N 3.625 112.501 108.800 0.127 0.000 2.629 713 G HA2 -0.376 3.584 3.960 -0.001 0.000 0.313 713 G HA3 -0.376 3.584 3.960 -0.001 0.000 0.313 713 G C 0.438 175.377 174.900 0.064 0.000 1.217 713 G CA 0.283 45.423 45.100 0.067 0.000 0.994 713 G HN 0.633 nan 8.290 nan 0.000 0.549 714 N N 0.469 119.201 118.700 0.053 0.000 2.268 714 N HA 0.316 5.056 4.740 -0.001 0.000 0.204 714 N C 0.035 175.664 175.510 0.199 0.000 1.124 714 N CA 0.517 53.592 53.050 0.041 0.000 0.838 714 N CB 0.736 39.208 38.487 -0.026 0.000 0.994 714 N HN 0.430 nan 8.380 nan 0.000 0.489 715 V N 1.974 122.028 119.914 0.232 0.000 2.333 715 V HA 0.232 4.351 4.120 -0.001 0.000 0.274 715 V C 0.193 176.372 176.094 0.140 0.000 1.028 715 V CA -1.077 61.326 62.300 0.171 0.000 0.851 715 V CB 1.293 33.166 31.823 0.083 0.000 1.000 715 V HN 0.076 nan 8.190 nan 0.000 0.456 716 L N 5.781 127.006 121.223 0.003 0.000 2.499 716 L HA 0.248 4.587 4.340 -0.001 0.000 0.273 716 L C 0.254 176.957 176.870 -0.279 0.000 1.195 716 L CA 0.921 55.489 54.840 -0.453 0.000 0.882 716 L CB 0.460 42.255 42.059 -0.440 0.000 1.133 716 L HN 0.605 nan 8.230 nan 0.000 0.483 717 Q N 3.161 122.765 119.800 -0.327 0.000 2.226 717 Q HA 0.365 4.704 4.340 -0.001 0.000 0.256 717 Q C -0.254 175.628 176.000 -0.196 0.000 0.962 717 Q CA -0.410 55.283 55.803 -0.183 0.000 0.887 717 Q CB 1.758 30.422 28.738 -0.122 0.000 1.282 717 Q HN 0.798 nan 8.270 nan 0.000 0.449 718 S N 1.099 116.711 115.700 -0.147 0.000 2.661 718 S HA 0.462 4.932 4.470 -0.001 0.000 0.265 718 S C -0.167 174.322 174.600 -0.185 0.000 1.225 718 S CA -0.161 57.942 58.200 -0.161 0.000 0.986 718 S CB 0.563 63.688 63.200 -0.125 0.000 1.008 718 S HN 0.659 nan 8.310 nan 0.000 0.565 719 N N -1.332 117.228 118.700 -0.232 0.000 3.373 719 N HA 0.157 4.896 4.740 -0.001 0.000 0.275 719 N C -1.465 173.807 175.510 -0.397 0.000 1.489 719 N CA -0.098 52.768 53.050 -0.307 0.000 0.872 719 N CB 0.932 39.211 38.487 -0.346 0.000 1.555 719 N HN 0.761 nan 8.380 nan 0.000 0.500 720 T N -1.585 112.626 114.554 -0.572 0.000 2.855 720 T HA 0.266 4.615 4.350 -0.001 0.000 0.314 720 T C 1.550 175.897 174.700 -0.588 0.000 1.077 720 T CA 0.588 62.286 62.100 -0.671 0.000 1.095 720 T CB 0.404 68.629 68.868 -1.072 0.000 0.987 720 T HN 0.544 nan 8.240 nan 0.000 0.546 721 G N 1.052 109.593 108.800 -0.433 0.000 2.476 721 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.218 721 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.218 721 G C 1.392 176.186 174.900 -0.178 0.000 1.164 721 G CA 0.904 45.823 45.100 -0.301 0.000 0.768 721 G HN 0.999 nan 8.290 nan 0.000 0.560 722 W N 1.013 122.224 121.300 -0.147 0.000 2.388 722 W HA 0.241 4.901 4.660 -0.001 0.000 0.294 722 W C 2.202 178.675 176.519 -0.077 0.000 1.212 722 W CA 0.982 58.263 57.345 -0.107 0.000 1.271 722 W CB -0.929 28.447 29.460 -0.140 0.000 1.126 722 W HN 0.305 nan 8.180 nan 0.000 0.535 723 A N 1.904 124.104 122.820 -1.034 0.000 1.933 723 A HA -0.106 4.214 4.320 -0.001 0.000 0.218 723 A C 2.156 179.541 177.584 -0.331 0.000 1.175 723 A CA 2.032 53.503 52.037 -0.942 0.000 0.628 723 A CB -0.944 17.296 19.000 -1.268 0.000 0.814 723 A HN 0.352 nan 8.150 nan 0.000 0.444 724 I N -0.433 119.961 120.570 -0.294 0.000 2.252 724 I HA -0.145 4.024 4.170 -0.001 0.000 0.245 724 I C 2.720 178.823 176.117 -0.024 0.000 1.102 724 I CA 0.919 62.129 61.300 -0.151 0.000 1.385 724 I CB -0.729 37.162 38.000 -0.182 0.000 1.064 724 I HN 0.381 nan 8.210 nan 0.000 0.414 725 G N 0.272 109.087 108.800 0.024 0.000 2.491 725 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.218 725 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.218 725 G C 1.568 176.614 174.900 0.243 0.000 1.180 725 G CA 1.010 46.199 45.100 0.148 0.000 0.774 725 G HN 0.416 nan 8.290 nan 0.000 0.562 726 Q N -0.098 119.910 119.800 0.346 0.000 2.084 726 Q HA -0.099 4.240 4.340 -0.001 0.000 0.202 726 Q C 2.744 178.827 176.000 0.139 0.000 0.978 726 Q CA 1.237 57.291 55.803 0.419 0.000 0.844 726 Q CB -0.079 29.000 28.738 0.569 0.000 0.898 726 Q HN 0.476 nan 8.270 nan 0.000 0.426 727 R N -0.075 120.487 120.500 0.103 0.000 2.081 727 R HA -0.121 4.218 4.340 -0.001 0.000 0.235 727 R C 2.288 178.690 176.300 0.169 0.000 1.131 727 R CA 1.661 57.832 56.100 0.117 0.000 0.960 727 R CB -0.325 30.063 30.300 0.146 0.000 0.856 727 R HN 0.340 nan 8.270 nan 0.000 0.436 728 I N 1.047 121.676 120.570 0.097 0.000 2.127 728 I HA -0.334 3.835 4.170 -0.001 0.000 0.241 728 I C 1.991 178.091 176.117 -0.028 0.000 1.075 728 I CA 1.330 62.673 61.300 0.072 0.000 1.334 728 I CB -0.454 37.578 38.000 0.053 0.000 1.040 728 I HN 0.227 nan 8.210 nan 0.000 0.405 729 N N 0.478 119.042 118.700 -0.227 0.000 2.104 729 N HA -0.155 4.585 4.740 -0.001 0.000 0.190 729 N C 2.033 177.186 175.510 -0.594 0.000 1.024 729 N CA 1.787 54.423 53.050 -0.690 0.000 0.853 729 N CB -0.186 37.322 38.487 -1.632 0.000 1.008 729 N HN 0.301 nan 8.380 nan 0.000 0.424 730 S N 0.192 115.678 115.700 -0.356 0.000 2.345 730 S HA -0.105 4.365 4.470 -0.001 0.000 0.220 730 S C 1.675 176.195 174.600 -0.132 0.000 1.031 730 S CA 0.826 58.916 58.200 -0.184 0.000 0.996 730 S CB -0.467 62.625 63.200 -0.180 0.000 0.882 730 S HN 0.463 nan 8.310 nan 0.000 0.445 731 W N 1.768 123.030 121.300 -0.064 0.000 2.342 731 W HA -0.110 4.550 4.660 -0.001 0.000 0.297 731 W C 2.721 179.214 176.519 -0.043 0.000 1.213 731 W CA 0.780 58.105 57.345 -0.032 0.000 1.251 731 W CB -0.428 29.022 29.460 -0.017 0.000 1.136 731 W HN 0.308 nan 8.180 nan 0.000 0.526 732 A N 0.278 123.182 122.820 0.141 0.000 1.902 732 A HA -0.195 4.125 4.320 -0.001 0.000 0.217 732 A C 2.021 179.641 177.584 0.060 0.000 1.181 732 A CA 1.357 53.437 52.037 0.072 0.000 0.623 732 A CB -0.591 18.418 19.000 0.014 0.000 0.818 732 A HN 0.121 nan 8.150 nan 0.000 0.443 733 R N -0.119 120.405 120.500 0.040 0.000 2.152 733 R HA -0.103 4.237 4.340 -0.001 0.000 0.232 733 R C 2.259 178.588 176.300 0.048 0.000 1.117 733 R CA 1.780 57.914 56.100 0.058 0.000 0.981 733 R CB -1.399 28.955 30.300 0.090 0.000 0.870 733 R HN 0.788 nan 8.270 nan 0.000 0.451 734 T N -3.203 111.382 114.554 0.052 0.000 3.035 734 T HA 0.058 4.408 4.350 -0.001 0.000 0.268 734 T C 1.489 176.240 174.700 0.085 0.000 1.109 734 T CA 1.166 63.302 62.100 0.060 0.000 1.119 734 T CB 0.157 69.077 68.868 0.088 0.000 0.900 734 T HN 0.408 nan 8.240 nan 0.000 0.503 735 G N 1.184 110.036 108.800 0.087 0.000 2.195 735 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.246 735 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.246 735 G C -0.011 174.927 174.900 0.064 0.000 0.984 735 G CA 0.117 45.256 45.100 0.065 0.000 0.633 735 G HN 0.677 nan 8.290 nan 0.000 0.525 736 D N 1.442 121.915 120.400 0.121 0.000 2.508 736 D HA 0.454 5.093 4.640 -0.001 0.000 0.224 736 D C 1.730 178.040 176.300 0.018 0.000 1.171 736 D CA 0.598 54.650 54.000 0.086 0.000 1.006 736 D CB -0.009 40.895 40.800 0.173 0.000 1.073 736 D HN 0.247 nan 8.370 nan 0.000 0.513 737 G N 3.313 112.093 108.800 -0.034 0.000 2.422 737 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.218 737 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.218 737 G C 1.570 176.393 174.900 -0.128 0.000 1.146 737 G CA 0.152 45.197 45.100 -0.093 0.000 0.769 737 G HN 0.380 nan 8.290 nan 0.000 0.547 738 N N 0.408 119.036 118.700 -0.120 0.000 2.142 738 N HA -0.076 4.664 4.740 -0.001 0.000 0.186 738 N C 2.388 177.815 175.510 -0.138 0.000 1.023 738 N CA 1.614 54.594 53.050 -0.116 0.000 0.852 738 N CB -0.687 37.736 38.487 -0.106 0.000 0.998 738 N HN 0.215 nan 8.380 nan 0.000 0.424 739 T N 0.336 114.748 114.554 -0.236 0.000 2.821 739 T HA -0.058 4.292 4.350 -0.001 0.000 0.267 739 T C 1.865 176.319 174.700 -0.410 0.000 1.046 739 T CA 1.427 63.263 62.100 -0.439 0.000 1.139 739 T CB -0.472 67.847 68.868 -0.916 0.000 0.871 739 T HN 0.294 nan 8.240 nan 0.000 0.454 740 T N 1.129 115.550 114.554 -0.221 0.000 2.684 740 T HA -0.147 4.202 4.350 -0.001 0.000 0.267 740 T C 1.626 176.258 174.700 -0.113 0.000 1.036 740 T CA 1.304 63.354 62.100 -0.082 0.000 1.148 740 T CB -0.548 68.329 68.868 0.015 0.000 0.863 740 T HN 0.461 nan 8.240 nan 0.000 0.436 741 Y N 1.917 122.064 120.300 -0.256 0.000 2.274 741 Y HA -0.146 4.404 4.550 -0.001 0.000 0.290 741 Y C 2.490 178.290 175.900 -0.167 0.000 1.145 741 Y CA 1.162 59.094 58.100 -0.280 0.000 1.203 741 Y CB -0.408 37.785 38.460 -0.445 0.000 0.984 741 Y HN 0.274 nan 8.280 nan 0.000 0.533 742 Q N -0.527 119.111 119.800 -0.269 0.000 2.124 742 Q HA -0.189 4.151 4.340 -0.001 0.000 0.202 742 Q C 2.107 177.932 176.000 -0.293 0.000 0.977 742 Q CA 1.758 57.392 55.803 -0.282 0.000 0.850 742 Q CB -0.213 28.425 28.738 -0.166 0.000 0.901 742 Q HN 0.457 nan 8.270 nan 0.000 0.429 743 L N -0.627 120.442 121.223 -0.256 0.000 2.156 743 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 743 L C 2.195 178.969 176.870 -0.161 0.000 1.095 743 L CA 0.731 55.460 54.840 -0.186 0.000 0.770 743 L CB -0.276 41.727 42.059 -0.093 0.000 0.914 743 L HN 0.029 nan 8.230 nan 0.000 0.439 744 V N -0.396 119.407 119.914 -0.184 0.000 2.261 744 V HA -0.310 3.810 4.120 -0.001 0.000 0.246 744 V C 2.405 178.404 176.094 -0.157 0.000 1.047 744 V CA 1.909 64.135 62.300 -0.124 0.000 1.015 744 V CB -0.468 31.329 31.823 -0.043 0.000 0.642 744 V HN 0.468 nan 8.190 nan 0.000 0.446 745 E N -0.287 119.721 120.200 -0.319 0.000 2.058 745 E HA -0.283 4.067 4.350 -0.001 0.000 0.194 745 E C 2.161 178.744 176.600 -0.027 0.000 0.997 745 E CA 1.579 57.916 56.400 -0.105 0.000 0.801 745 E CB -0.308 29.238 29.700 -0.257 0.000 0.746 745 E HN 0.420 nan 8.360 nan 0.000 0.450 746 L N 1.456 122.603 121.223 -0.126 0.000 2.013 746 L HA -0.298 4.042 4.340 -0.001 0.000 0.212 746 L C 2.497 179.295 176.870 -0.121 0.000 1.073 746 L CA 1.925 56.693 54.840 -0.120 0.000 0.753 746 L CB -0.376 41.581 42.059 -0.169 0.000 0.890 746 L HN 0.129 nan 8.230 nan 0.000 0.432 747 Q N -1.227 118.495 119.800 -0.131 0.000 2.050 747 Q HA -0.231 4.108 4.340 -0.001 0.000 0.202 747 Q C 2.209 178.116 176.000 -0.155 0.000 0.980 747 Q CA 1.889 57.600 55.803 -0.154 0.000 0.840 747 Q CB -0.118 28.551 28.738 -0.116 0.000 0.898 747 Q HN 0.462 nan 8.270 nan 0.000 0.424 748 L N 0.881 122.026 121.223 -0.130 0.000 2.083 748 L HA -0.180 4.160 4.340 -0.001 0.000 0.209 748 L C 2.168 178.976 176.870 -0.103 0.000 1.083 748 L CA 1.778 56.499 54.840 -0.197 0.000 0.752 748 L CB -0.388 41.384 42.059 -0.477 0.000 0.899 748 L HN 0.092 nan 8.230 nan 0.000 0.433 749 K N -0.876 119.530 120.400 0.011 0.000 2.167 749 K HA 0.022 4.341 4.320 -0.001 0.000 0.203 749 K C 1.080 177.679 176.600 -0.001 0.000 1.052 749 K CA 0.924 57.252 56.287 0.068 0.000 0.956 749 K CB 0.058 32.614 32.500 0.092 0.000 0.735 749 K HN 0.354 nan 8.250 nan 0.000 0.451 750 N N -1.141 117.503 118.700 -0.094 0.000 2.159 750 N HA 0.113 4.853 4.740 -0.001 0.000 0.217 750 N C -0.051 175.201 175.510 -0.431 0.000 1.223 750 N CA 0.210 53.176 53.050 -0.141 0.000 0.896 750 N CB 1.939 40.342 38.487 -0.140 0.000 1.064 750 N HN 0.008 nan 8.380 nan 0.000 0.518 751 A N 0.220 122.700 122.820 -0.567 0.000 2.596 751 A HA 0.379 4.699 4.320 -0.001 0.000 0.276 751 A C -0.255 176.867 177.584 -0.770 0.000 0.962 751 A CA -0.162 51.205 52.037 -1.116 0.000 1.010 751 A CB 0.426 19.006 19.000 -0.700 0.000 1.220 751 A HN -0.051 nan 8.150 nan 0.000 0.549 752 M N 0.650 120.056 119.600 -0.324 0.000 2.321 752 M HA 0.486 4.965 4.480 -0.001 0.000 0.315 752 M C -1.183 175.215 176.300 0.162 0.000 1.052 752 M CA -0.523 54.739 55.300 -0.063 0.000 0.936 752 M CB 1.100 33.669 32.600 -0.051 0.000 1.639 752 M HN 0.223 nan 8.290 nan 0.000 0.433 753 Y N 0.536 120.976 120.300 0.235 0.000 2.295 753 Y HA 0.356 4.906 4.550 -0.001 0.000 0.331 753 Y C 1.615 177.495 175.900 -0.033 0.000 1.311 753 Y CA -0.116 58.027 58.100 0.073 0.000 1.430 753 Y CB 0.347 38.794 38.460 -0.022 0.000 1.339 753 Y HN 0.843 nan 8.280 nan 0.000 0.552 754 A N 1.143 124.019 122.820 0.094 0.000 1.978 754 A HA -0.257 4.063 4.320 -0.001 0.000 0.220 754 A C 1.551 179.114 177.584 -0.034 0.000 1.170 754 A CA 1.932 53.974 52.037 0.008 0.000 0.636 754 A CB -0.973 18.002 19.000 -0.041 0.000 0.810 754 A HN 0.801 nan 8.150 nan 0.000 0.448 755 N N 0.109 118.682 118.700 -0.213 0.000 2.434 755 N HA 0.128 4.868 4.740 -0.001 0.000 0.196 755 N C 0.412 175.738 175.510 -0.308 0.000 1.183 755 N CA 0.586 53.407 53.050 -0.382 0.000 0.849 755 N CB -0.661 37.381 38.487 -0.742 0.000 0.992 755 N HN 0.526 nan 8.380 nan 0.000 0.460 756 L N -1.980 119.176 121.223 -0.111 0.000 4.429 756 L HA -0.225 4.115 4.340 -0.001 0.000 0.422 756 L C -0.617 176.442 176.870 0.315 0.000 1.149 756 L CA 0.303 55.148 54.840 0.010 0.000 0.972 756 L CB -2.234 39.707 42.059 -0.197 0.000 2.059 756 L HN 0.038 nan 8.230 nan 0.000 0.870 757 F N 1.860 121.860 119.950 0.083 0.000 2.484 757 F HA 0.193 4.720 4.527 -0.001 0.000 0.360 757 F C 1.249 177.082 175.800 0.055 0.000 1.101 757 F CA -0.728 57.283 58.000 0.019 0.000 1.251 757 F CB 0.507 39.332 39.000 -0.292 0.000 1.132 757 F HN 0.051 nan 8.300 nan 0.000 0.570 758 D N 2.852 123.409 120.400 0.262 0.000 2.372 758 D HA 0.261 4.901 4.640 -0.001 0.000 0.243 758 D C -1.039 175.309 176.300 0.079 0.000 1.121 758 D CA 0.060 54.091 54.000 0.052 0.000 0.898 758 D CB 0.469 41.268 40.800 -0.001 0.000 1.202 758 D HN 0.359 nan 8.370 nan 0.000 0.428 759 Y N 0.761 120.932 120.300 -0.215 0.000 2.545 759 Y HA 0.354 4.903 4.550 -0.001 0.000 0.348 759 Y C 0.192 176.066 175.900 -0.042 0.000 1.002 759 Y CA -0.929 57.049 58.100 -0.203 0.000 1.039 759 Y CB 1.106 39.158 38.460 -0.681 0.000 1.271 759 Y HN 0.534 nan 8.280 nan 0.000 0.467 760 H N 2.114 121.341 119.070 0.261 0.000 2.399 760 H HA 0.400 4.956 4.556 -0.001 0.000 0.300 760 H C 0.286 175.771 175.328 0.263 0.000 1.048 760 H CA 1.038 57.212 56.048 0.210 0.000 1.370 760 H CB 0.103 30.053 29.762 0.312 0.000 1.428 760 H HN 0.881 nan 8.280 nan 0.000 0.534 761 A N 2.722 125.870 122.820 0.546 0.000 2.366 761 A HA 0.353 4.673 4.320 -0.001 0.000 0.249 761 A C -1.927 175.967 177.584 0.517 0.000 1.084 761 A CA -0.927 51.422 52.037 0.521 0.000 0.794 761 A CB 0.265 19.416 19.000 0.252 0.000 1.034 761 A HN 0.343 nan 8.150 nan 0.000 0.491 762 P HA 0.294 nan 4.420 nan 0.000 0.332 762 P C -0.109 177.420 177.300 0.382 0.000 1.298 762 P CA -0.724 62.558 63.100 0.303 0.000 0.755 762 P CB 0.194 32.013 31.700 0.197 0.000 1.465 763 F N 1.185 121.259 119.950 0.206 0.000 2.604 763 F HA 0.041 4.568 4.527 -0.001 0.000 0.393 763 F C -0.238 175.637 175.800 0.125 0.000 1.043 763 F CA 0.809 58.909 58.000 0.167 0.000 1.227 763 F CB -0.418 38.652 39.000 0.117 0.000 1.016 763 F HN 0.061 nan 8.300 nan 0.000 0.556 764 Q N 7.431 127.067 119.800 -0.274 0.000 2.263 764 Q HA 0.242 4.582 4.340 -0.001 0.000 0.266 764 Q C 0.707 176.437 176.000 -0.451 0.000 1.002 764 Q CA -0.411 55.106 55.803 -0.476 0.000 0.790 764 Q CB 1.953 30.645 28.738 -0.077 0.000 1.272 764 Q HN 0.980 nan 8.270 nan 0.000 0.435 765 I N 2.018 122.217 120.570 -0.618 0.000 2.676 765 I HA -0.237 3.933 4.170 -0.001 0.000 0.259 765 I C 1.200 177.157 176.117 -0.267 0.000 1.194 765 I CA 1.239 62.317 61.300 -0.370 0.000 1.473 765 I CB 0.402 38.232 38.000 -0.283 0.000 1.096 765 I HN 0.655 nan 8.210 nan 0.000 0.443 766 D N 0.708 121.024 120.400 -0.140 0.000 2.160 766 D HA -0.276 4.363 4.640 -0.001 0.000 0.189 766 D C 2.097 178.399 176.300 0.003 0.000 1.003 766 D CA 1.728 55.702 54.000 -0.042 0.000 0.846 766 D CB -1.449 39.275 40.800 -0.126 0.000 0.949 766 D HN 0.345 nan 8.370 nan 0.000 0.446 767 G N -0.356 108.452 108.800 0.014 0.000 2.448 767 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.219 767 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.219 767 G C 1.554 176.449 174.900 -0.008 0.000 1.127 767 G CA 0.907 46.028 45.100 0.035 0.000 0.766 767 G HN 0.382 nan 8.290 nan 0.000 0.552 768 N N -0.085 118.541 118.700 -0.124 0.000 2.106 768 N HA -0.058 4.681 4.740 -0.001 0.000 0.188 768 N C 1.806 177.227 175.510 -0.149 0.000 1.029 768 N CA 1.245 54.181 53.050 -0.191 0.000 0.848 768 N CB -0.257 37.985 38.487 -0.408 0.000 1.007 768 N HN 0.279 nan 8.380 nan 0.000 0.423 769 F N 0.655 120.605 119.950 0.000 0.000 2.171 769 F HA 0.043 4.570 4.527 -0.001 0.000 0.300 769 F C 2.534 178.391 175.800 0.095 0.000 1.090 769 F CA 0.925 58.918 58.000 -0.010 0.000 1.293 769 F CB -1.215 37.718 39.000 -0.112 0.000 1.013 769 F HN 0.066 nan 8.300 nan 0.000 0.486 770 G N -0.259 108.713 108.800 0.286 0.000 2.422 770 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.218 770 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.218 770 G C 1.750 176.820 174.900 0.285 0.000 1.146 770 G CA 0.952 46.275 45.100 0.372 0.000 0.769 770 G HN 0.354 nan 8.290 nan 0.000 0.547 771 N N 0.568 119.385 118.700 0.195 0.000 2.039 771 N HA -0.132 4.607 4.740 -0.001 0.000 0.193 771 N C 2.207 177.865 175.510 0.247 0.000 1.044 771 N CA 1.990 55.151 53.050 0.185 0.000 0.847 771 N CB -0.583 37.986 38.487 0.136 0.000 1.030 771 N HN 0.212 nan 8.380 nan 0.000 0.422 772 T N 0.084 114.757 114.554 0.199 0.000 2.665 772 T HA -0.163 4.186 4.350 -0.001 0.000 0.268 772 T C 2.027 176.904 174.700 0.296 0.000 1.035 772 T CA 1.786 63.974 62.100 0.147 0.000 1.151 772 T CB -0.626 68.201 68.868 -0.069 0.000 0.862 772 T HN 0.312 nan 8.240 nan 0.000 0.438 773 S N 0.430 116.306 115.700 0.292 0.000 2.370 773 S HA -0.068 4.401 4.470 -0.001 0.000 0.226 773 S C 2.356 177.098 174.600 0.237 0.000 1.033 773 S CA 1.696 60.083 58.200 0.313 0.000 1.011 773 S CB -0.858 62.605 63.200 0.439 0.000 0.852 773 S HN 0.620 nan 8.310 nan 0.000 0.457 774 G N 0.544 109.462 108.800 0.197 0.000 2.402 774 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.216 774 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.216 774 G C 1.481 176.489 174.900 0.181 0.000 1.162 774 G CA 0.996 46.158 45.100 0.103 0.000 0.777 774 G HN 0.467 nan 8.290 nan 0.000 0.539 775 V N 1.323 121.415 119.914 0.298 0.000 2.343 775 V HA -0.152 3.968 4.120 -0.001 0.000 0.247 775 V C 2.598 178.853 176.094 0.269 0.000 1.051 775 V CA 2.141 64.648 62.300 0.345 0.000 1.036 775 V CB -0.446 31.633 31.823 0.428 0.000 0.654 775 V HN 0.242 nan 8.190 nan 0.000 0.451 776 D N 0.028 120.619 120.400 0.318 0.000 2.106 776 D HA -0.172 4.468 4.640 -0.001 0.000 0.191 776 D C 2.246 178.656 176.300 0.184 0.000 0.997 776 D CA 1.311 55.465 54.000 0.258 0.000 0.834 776 D CB -0.263 40.715 40.800 0.297 0.000 0.956 776 D HN 0.419 nan 8.370 nan 0.000 0.448 777 E N -0.188 120.112 120.200 0.166 0.000 2.265 777 E HA -0.106 4.244 4.350 -0.001 0.000 0.196 777 E C 2.178 178.824 176.600 0.078 0.000 0.996 777 E CA 0.404 56.873 56.400 0.114 0.000 0.832 777 E CB -0.230 29.512 29.700 0.070 0.000 0.756 777 E HN 0.456 nan 8.360 nan 0.000 0.491 778 M N -0.192 119.463 119.600 0.092 0.000 2.175 778 M HA -0.084 4.395 4.480 -0.001 0.000 0.264 778 M C 2.071 178.380 176.300 0.015 0.000 1.063 778 M CA 1.224 56.558 55.300 0.057 0.000 1.119 778 M CB -0.030 32.631 32.600 0.101 0.000 1.377 778 M HN 0.034 nan 8.290 nan 0.000 0.415 779 L N -1.150 120.096 121.223 0.038 0.000 2.463 779 L HA 0.256 4.596 4.340 -0.001 0.000 0.219 779 L C -0.176 176.684 176.870 -0.017 0.000 1.088 779 L CA -0.178 54.638 54.840 -0.041 0.000 0.849 779 L CB 0.428 42.480 42.059 -0.011 0.000 1.012 779 L HN 0.193 nan 8.230 nan 0.000 0.468 780 L N -0.066 121.179 121.223 0.037 0.000 2.588 780 L HA 0.425 4.764 4.340 -0.001 0.000 0.263 780 L C -1.405 175.500 176.870 0.059 0.000 0.935 780 L CA -0.089 54.778 54.840 0.046 0.000 0.891 780 L CB 1.962 44.072 42.059 0.085 0.000 1.318 780 L HN -0.038 nan 8.230 nan 0.000 0.409 781 Q N 1.603 121.411 119.800 0.013 0.000 2.413 781 Q HA 0.759 5.099 4.340 -0.001 0.000 0.276 781 Q C -0.328 175.608 176.000 -0.106 0.000 1.099 781 Q CA -0.042 55.755 55.803 -0.009 0.000 0.814 781 Q CB 2.300 31.028 28.738 -0.017 0.000 1.379 781 Q HN 0.712 nan 8.270 nan 0.000 0.436 782 S N -1.002 114.621 115.700 -0.128 0.000 2.998 782 S HA 0.026 4.495 4.470 -0.001 0.000 0.256 782 S C 0.275 174.727 174.600 -0.247 0.000 0.970 782 S CA -0.349 57.716 58.200 -0.226 0.000 1.238 782 S CB -0.024 63.078 63.200 -0.165 0.000 1.170 782 S HN 0.748 nan 8.310 nan 0.000 0.663 783 N N 1.182 119.771 118.700 -0.186 0.000 2.299 783 N HA 0.138 4.878 4.740 -0.001 0.000 0.187 783 N C 0.389 175.846 175.510 -0.088 0.000 1.099 783 N CA 0.016 52.998 53.050 -0.113 0.000 0.867 783 N CB 0.359 38.822 38.487 -0.039 0.000 0.974 783 N HN 0.310 nan 8.380 nan 0.000 0.477 784 S N -0.358 115.230 115.700 -0.185 0.000 2.707 784 S HA 0.497 4.967 4.470 -0.001 0.000 0.276 784 S C -0.575 174.098 174.600 0.120 0.000 1.179 784 S CA -0.206 57.971 58.200 -0.039 0.000 0.992 784 S CB 1.024 64.219 63.200 -0.008 0.000 1.030 784 S HN 0.239 nan 8.310 nan 0.000 0.554 785 T N 2.306 117.045 114.554 0.309 0.000 2.812 785 T HA 0.427 4.776 4.350 -0.001 0.000 0.282 785 T C -1.165 173.812 174.700 0.462 0.000 0.990 785 T CA -0.219 62.120 62.100 0.399 0.000 0.960 785 T CB 0.534 69.541 68.868 0.232 0.000 0.948 785 T HN 0.451 nan 8.240 nan 0.000 0.438 786 F N 2.521 122.648 119.950 0.295 0.000 2.385 786 F HA 0.506 5.033 4.527 -0.001 0.000 0.336 786 F C 0.320 176.214 175.800 0.156 0.000 1.100 786 F CA -0.188 57.832 58.000 0.034 0.000 1.116 786 F CB 1.141 39.927 39.000 -0.356 0.000 1.166 786 F HN 0.369 nan 8.300 nan 0.000 0.511 787 T N 5.237 119.723 114.554 -0.114 0.000 2.833 787 T HA 0.205 4.555 4.350 -0.001 0.000 0.297 787 T C -0.804 173.856 174.700 -0.067 0.000 1.015 787 T CA -0.801 61.299 62.100 0.000 0.000 0.963 787 T CB 0.510 69.340 68.868 -0.063 0.000 0.955 787 T HN 0.604 nan 8.240 nan 0.000 0.449 788 D N 1.652 122.219 120.400 0.278 0.000 2.398 788 D HA 0.064 4.703 4.640 -0.001 0.000 0.247 788 D C 1.632 177.993 176.300 0.101 0.000 1.227 788 D CA -0.364 53.802 54.000 0.277 0.000 0.980 788 D CB 0.286 41.363 40.800 0.461 0.000 1.106 788 D HN 0.416 nan 8.370 nan 0.000 0.493 789 T N -3.058 111.549 114.554 0.087 0.000 2.897 789 T HA -0.100 4.250 4.350 -0.001 0.000 0.271 789 T C 1.647 176.370 174.700 0.038 0.000 1.084 789 T CA 1.027 63.151 62.100 0.039 0.000 1.123 789 T CB -0.552 68.339 68.868 0.039 0.000 0.865 789 T HN 0.546 nan 8.240 nan 0.000 0.496 790 A N 0.572 123.428 122.820 0.061 0.000 2.251 790 A HA 0.613 4.933 4.320 -0.001 0.000 0.209 790 A C 2.042 179.645 177.584 0.032 0.000 1.187 790 A CA 0.496 52.560 52.037 0.045 0.000 0.823 790 A CB -0.971 18.061 19.000 0.054 0.000 0.846 790 A HN 1.280 nan 8.150 nan 0.000 0.486 791 G N -0.484 108.336 108.800 0.034 0.000 2.159 791 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.256 791 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.256 791 G C 0.282 175.185 174.900 0.004 0.000 0.977 791 G CA 0.574 45.682 45.100 0.014 0.000 0.652 791 G HN 0.696 nan 8.290 nan 0.000 0.531 792 K N 0.866 121.274 120.400 0.015 0.000 2.326 792 K HA 0.413 4.733 4.320 -0.001 0.000 0.275 792 K C 0.317 176.820 176.600 -0.160 0.000 1.018 792 K CA -0.135 56.096 56.287 -0.092 0.000 0.962 792 K CB 0.264 32.691 32.500 -0.122 0.000 0.953 792 K HN 0.153 nan 8.250 nan 0.000 0.475 793 K N 3.594 123.818 120.400 -0.294 0.000 2.182 793 K HA 0.225 4.545 4.320 -0.001 0.000 0.262 793 K C -1.237 175.106 176.600 -0.429 0.000 0.957 793 K CA -0.662 55.511 56.287 -0.190 0.000 0.842 793 K CB 1.305 33.776 32.500 -0.049 0.000 1.099 793 K HN 0.470 nan 8.250 nan 0.000 0.438 794 Y N 0.783 121.168 120.300 0.141 0.000 2.447 794 Y HA 0.212 4.762 4.550 -0.001 0.000 0.325 794 Y C -0.047 175.970 175.900 0.194 0.000 0.976 794 Y CA -1.088 57.085 58.100 0.122 0.000 1.280 794 Y CB 1.280 39.776 38.460 0.059 0.000 1.104 794 Y HN 0.138 nan 8.280 nan 0.000 0.486 795 V N 3.746 123.791 119.914 0.218 0.000 2.498 795 V HA 0.138 4.258 4.120 -0.001 0.000 0.279 795 V C 0.068 176.249 176.094 0.144 0.000 1.048 795 V CA -0.771 61.636 62.300 0.178 0.000 0.967 795 V CB 0.883 32.772 31.823 0.109 0.000 0.988 795 V HN 0.930 nan 8.190 nan 0.000 0.473 796 N N 2.410 121.165 118.700 0.090 0.000 2.738 796 N HA -0.201 4.539 4.740 -0.001 0.000 0.249 796 N C -0.452 175.031 175.510 -0.046 0.000 1.047 796 N CA 0.916 53.943 53.050 -0.040 0.000 0.707 796 N CB -1.408 37.040 38.487 -0.064 0.000 0.937 796 N HN 0.884 nan 8.380 nan 0.000 0.545 797 Y N -1.752 118.549 120.300 0.001 0.000 2.457 797 Y HA 0.423 4.972 4.550 -0.001 0.000 0.341 797 Y C 0.794 176.622 175.900 -0.121 0.000 1.240 797 Y CA -0.682 57.369 58.100 -0.083 0.000 1.437 797 Y CB 0.477 38.886 38.460 -0.085 0.000 1.328 797 Y HN 0.060 nan 8.280 nan 0.000 0.588 798 T N 4.280 118.768 114.554 -0.111 0.000 2.761 798 T HA 0.098 4.448 4.350 -0.001 0.000 0.296 798 T C -0.393 174.288 174.700 -0.030 0.000 0.934 798 T CA -0.476 61.529 62.100 -0.159 0.000 1.091 798 T CB -0.239 68.466 68.868 -0.272 0.000 0.896 798 T HN 0.617 nan 8.240 nan 0.000 0.515 799 N N 4.094 122.754 118.700 -0.067 0.000 2.564 799 N HA 0.204 4.944 4.740 -0.001 0.000 0.248 799 N C -0.752 174.751 175.510 -0.011 0.000 0.986 799 N CA -0.790 52.274 53.050 0.023 0.000 0.921 799 N CB 0.302 38.793 38.487 0.007 0.000 1.136 799 N HN 0.364 nan 8.380 nan 0.000 0.509 800 I N 4.671 125.226 120.570 -0.026 0.000 2.396 800 I HA 0.169 4.339 4.170 -0.001 0.000 0.289 800 I C 0.934 177.009 176.117 -0.070 0.000 1.056 800 I CA -0.295 60.973 61.300 -0.052 0.000 1.365 800 I CB -0.082 37.869 38.000 -0.082 0.000 1.407 800 I HN 0.592 nan 8.210 nan 0.000 0.509 801 L N 7.623 128.788 121.223 -0.097 0.000 3.713 801 L HA -0.184 4.156 4.340 -0.001 0.000 0.499 801 L C -1.433 175.377 176.870 -0.100 0.000 1.281 801 L CA -0.301 54.442 54.840 -0.161 0.000 0.796 801 L CB -1.101 40.805 42.059 -0.256 0.000 1.535 801 L HN 0.519 nan 8.230 nan 0.000 0.851 802 P HA -0.034 nan 4.420 nan 0.000 0.225 802 P C 0.682 177.972 177.300 -0.017 0.000 1.156 802 P CA 1.646 64.740 63.100 -0.011 0.000 0.787 802 P CB 0.447 32.157 31.700 0.016 0.000 0.802 803 A N -0.033 122.761 122.820 -0.043 0.000 3.415 803 A HA 0.374 4.694 4.320 -0.001 0.000 0.244 803 A C -0.621 176.899 177.584 -0.106 0.000 0.988 803 A CA -0.419 51.590 52.037 -0.046 0.000 0.991 803 A CB -0.643 18.356 19.000 -0.002 0.000 1.240 803 A HN 0.092 nan 8.150 nan 0.000 0.541 804 L N 2.756 123.889 121.223 -0.149 0.000 2.361 804 L HA 0.502 4.841 4.340 -0.001 0.000 0.278 804 L C -2.118 174.624 176.870 -0.213 0.000 1.113 804 L CA -1.302 53.410 54.840 -0.214 0.000 0.849 804 L CB 0.403 42.275 42.059 -0.311 0.000 1.155 804 L HN 0.300 nan 8.230 nan 0.000 0.452 805 P HA 0.173 nan 4.420 nan 0.000 0.277 805 P C -0.472 176.666 177.300 -0.269 0.000 1.240 805 P CA -0.347 62.531 63.100 -0.371 0.000 0.798 805 P CB 0.930 32.205 31.700 -0.708 0.000 0.979 806 D N 1.621 121.905 120.400 -0.193 0.000 2.221 806 D HA -0.140 4.500 4.640 -0.001 0.000 0.204 806 D C 1.930 178.160 176.300 -0.116 0.000 0.982 806 D CA 1.560 55.495 54.000 -0.107 0.000 0.857 806 D CB -0.603 40.150 40.800 -0.079 0.000 0.934 806 D HN 0.447 nan 8.370 nan 0.000 0.475 807 A N 0.247 122.887 122.820 -0.299 0.000 2.019 807 A HA -0.145 4.175 4.320 -0.001 0.000 0.219 807 A C 0.557 178.140 177.584 -0.003 0.000 1.164 807 A CA 0.660 52.501 52.037 -0.327 0.000 0.644 807 A CB -0.409 18.023 19.000 -0.946 0.000 0.805 807 A HN 0.177 nan 8.150 nan 0.000 0.449 808 W N -0.385 120.837 121.300 -0.130 0.000 1.928 808 W HA 0.663 5.322 4.660 -0.001 0.000 0.341 808 W C 1.171 177.844 176.519 0.257 0.000 0.789 808 W CA -1.278 56.114 57.345 0.079 0.000 1.680 808 W CB -1.032 28.529 29.460 0.169 0.000 1.882 808 W HN 0.378 nan 8.180 nan 0.000 0.315 809 A N 1.239 124.254 122.820 0.325 0.000 1.972 809 A HA 0.243 4.563 4.320 -0.001 0.000 0.219 809 A C 1.261 179.054 177.584 0.348 0.000 1.169 809 A CA 1.582 53.782 52.037 0.273 0.000 0.635 809 A CB -0.244 18.835 19.000 0.133 0.000 0.810 809 A HN 0.371 nan 8.150 nan 0.000 0.446 810 G N -3.249 105.647 108.800 0.159 0.000 2.667 810 G HA2 0.637 4.596 3.960 -0.001 0.000 0.298 810 G HA3 0.637 4.596 3.960 -0.001 0.000 0.298 810 G C -0.415 174.052 174.900 -0.722 0.000 1.377 810 G CA 0.004 44.925 45.100 -0.298 0.000 0.964 810 G HN 1.250 nan 8.290 nan 0.000 0.493 811 G N -0.785 107.125 108.800 -1.485 0.000 2.317 811 G HA2 0.730 4.689 3.960 -0.001 0.000 0.293 811 G HA3 0.730 4.689 3.960 -0.001 0.000 0.293 811 G C -0.750 173.202 174.900 -1.581 0.000 1.287 811 G CA 0.587 44.858 45.100 -1.382 0.000 0.850 811 G HN 1.977 nan 8.290 nan 0.000 0.515 812 S N -2.264 112.878 115.700 -0.929 0.000 2.579 812 S HA 0.847 5.317 4.470 -0.001 0.000 0.272 812 S C -1.607 172.948 174.600 -0.075 0.000 1.141 812 S CA -0.400 57.553 58.200 -0.412 0.000 0.843 812 S CB 1.902 64.973 63.200 -0.215 0.000 1.122 812 S HN 2.091 nan 8.310 nan 0.000 0.468 813 V N 1.550 121.549 119.914 0.141 0.000 2.888 813 V HA 0.894 5.014 4.120 -0.001 0.000 0.309 813 V C -1.039 175.116 176.094 0.101 0.000 1.114 813 V CA 0.212 62.582 62.300 0.116 0.000 0.940 813 V CB 2.095 34.018 31.823 0.167 0.000 1.021 813 V HN 1.605 nan 8.190 nan 0.000 0.426 814 S N 3.483 119.224 115.700 0.069 0.000 2.549 814 S HA 0.841 5.311 4.470 -0.001 0.000 0.280 814 S C 0.450 175.098 174.600 0.079 0.000 1.109 814 S CA 0.128 58.372 58.200 0.074 0.000 0.905 814 S CB 1.737 64.969 63.200 0.053 0.000 1.081 814 S HN 2.584 nan 8.310 nan 0.000 0.477 815 G N 0.788 109.643 108.800 0.091 0.000 2.157 815 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.239 815 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.239 815 G C -0.120 174.849 174.900 0.114 0.000 0.982 815 G CA 0.076 45.231 45.100 0.092 0.000 0.650 815 G HN 0.832 nan 8.290 nan 0.000 0.527 816 L N 0.199 121.502 121.223 0.133 0.000 2.464 816 L HA 0.574 4.913 4.340 -0.001 0.000 0.264 816 L C 0.706 177.685 176.870 0.181 0.000 1.199 816 L CA -0.702 54.235 54.840 0.161 0.000 0.818 816 L CB 1.187 43.346 42.059 0.165 0.000 1.102 816 L HN -0.039 nan 8.230 nan 0.000 0.473 817 V N 1.062 121.108 119.914 0.221 0.000 2.555 817 V HA 0.652 4.771 4.120 -0.001 0.000 0.302 817 V C 0.108 176.444 176.094 0.404 0.000 1.038 817 V CA -0.645 61.825 62.300 0.284 0.000 0.887 817 V CB 1.593 33.579 31.823 0.271 0.000 0.991 817 V HN 0.874 nan 8.190 nan 0.000 0.434 818 A N 4.451 127.468 122.820 0.328 0.000 2.325 818 A HA 0.754 5.074 4.320 -0.001 0.000 0.333 818 A C 0.174 177.788 177.584 0.050 0.000 1.155 818 A CA -0.771 51.386 52.037 0.200 0.000 0.814 818 A CB 0.673 19.753 19.000 0.132 0.000 1.206 818 A HN 0.861 nan 8.150 nan 0.000 0.482 819 R N 0.113 120.381 120.500 -0.387 0.000 2.758 819 R HA 0.300 4.640 4.340 -0.001 0.000 0.263 819 R C 1.336 177.590 176.300 -0.075 0.000 1.010 819 R CA 1.600 57.402 56.100 -0.496 0.000 1.114 819 R CB 0.118 30.067 30.300 -0.586 0.000 0.985 819 R HN 1.664 nan 8.270 nan 0.000 0.439 820 G N 1.169 109.888 108.800 -0.134 0.000 2.195 820 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.246 820 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.246 820 G C 0.104 174.785 174.900 -0.364 0.000 0.984 820 G CA 0.099 45.154 45.100 -0.074 0.000 0.633 820 G HN 0.735 nan 8.290 nan 0.000 0.525 821 N N -1.151 117.424 118.700 -0.208 0.000 2.699 821 N HA -0.152 4.587 4.740 -0.001 0.000 0.257 821 N C -0.513 174.770 175.510 -0.378 0.000 1.077 821 N CA 1.314 54.240 53.050 -0.206 0.000 0.702 821 N CB -1.642 36.711 38.487 -0.223 0.000 0.886 821 N HN 0.651 nan 8.380 nan 0.000 0.549 822 F N -0.105 119.863 119.950 0.031 0.000 2.495 822 F HA 0.415 4.942 4.527 -0.001 0.000 0.327 822 F C 1.099 176.951 175.800 0.087 0.000 1.103 822 F CA -0.614 57.418 58.000 0.055 0.000 0.949 822 F CB 1.745 40.764 39.000 0.033 0.000 1.142 822 F HN -0.136 nan 8.300 nan 0.000 0.457 823 T N 3.143 117.852 114.554 0.258 0.000 2.806 823 T HA 0.579 4.928 4.350 -0.001 0.000 0.290 823 T C -0.478 174.343 174.700 0.201 0.000 0.966 823 T CA -0.508 61.711 62.100 0.198 0.000 1.060 823 T CB 1.223 70.176 68.868 0.142 0.000 0.927 823 T HN 0.285 nan 8.240 nan 0.000 0.485 824 V N 2.320 122.336 119.914 0.171 0.000 2.588 824 V HA 0.815 4.934 4.120 -0.001 0.000 0.304 824 V C 0.417 176.587 176.094 0.128 0.000 1.042 824 V CA -0.783 61.605 62.300 0.147 0.000 0.877 824 V CB 2.016 33.917 31.823 0.130 0.000 0.996 824 V HN 1.045 nan 8.190 nan 0.000 0.425 825 G N 1.250 110.121 108.800 0.120 0.000 2.542 825 G HA2 0.666 4.625 3.960 -0.001 0.000 0.311 825 G HA3 0.666 4.625 3.960 -0.001 0.000 0.311 825 G C -0.977 173.999 174.900 0.128 0.000 1.298 825 G CA -0.580 44.589 45.100 0.116 0.000 0.973 825 G HN 0.674 nan 8.290 nan 0.000 0.487 826 T N -0.012 114.644 114.554 0.170 0.000 2.952 826 T HA 0.681 5.030 4.350 -0.001 0.000 0.305 826 T C -0.606 174.281 174.700 0.311 0.000 1.064 826 T CA -0.317 61.916 62.100 0.221 0.000 1.008 826 T CB 1.594 70.583 68.868 0.201 0.000 1.078 826 T HN 0.469 nan 8.240 nan 0.000 0.459 827 T N 4.798 119.500 114.554 0.246 0.000 2.855 827 T HA 0.763 5.113 4.350 -0.001 0.000 0.281 827 T C -1.108 173.773 174.700 0.301 0.000 1.007 827 T CA -0.607 61.577 62.100 0.140 0.000 1.009 827 T CB 0.650 69.528 68.868 0.016 0.000 0.983 827 T HN 0.736 nan 8.240 nan 0.000 0.455 828 W N 0.843 122.163 121.300 0.035 0.000 3.083 828 W HA 0.865 5.525 4.660 -0.001 0.000 0.333 828 W C -1.617 174.926 176.519 0.039 0.000 1.217 828 W CA -1.013 56.361 57.345 0.048 0.000 1.170 828 W CB 1.280 30.774 29.460 0.057 0.000 1.437 828 W HN 0.200 nan 8.180 nan 0.000 0.557 829 K N 1.695 122.212 120.400 0.195 0.000 2.543 829 K HA 0.254 4.574 4.320 -0.001 0.000 0.255 829 K C -0.646 176.043 176.600 0.149 0.000 0.934 829 K CA -1.220 55.117 56.287 0.082 0.000 0.810 829 K CB 1.450 33.962 32.500 0.020 0.000 1.315 829 K HN 0.842 nan 8.250 nan 0.000 0.433 830 N N 0.961 119.734 118.700 0.123 0.000 2.727 830 N HA -0.265 4.474 4.740 -0.001 0.000 0.249 830 N C 0.531 176.128 175.510 0.144 0.000 1.048 830 N CA 0.862 53.978 53.050 0.110 0.000 0.714 830 N CB -0.835 37.694 38.487 0.070 0.000 0.959 830 N HN 1.006 nan 8.380 nan 0.000 0.544 831 G N -1.646 107.291 108.800 0.228 0.000 2.155 831 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.257 831 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.257 831 G C -0.109 174.881 174.900 0.150 0.000 0.983 831 G CA 0.961 46.169 45.100 0.181 0.000 0.676 831 G HN 0.387 nan 8.290 nan 0.000 0.528 832 K N -0.114 120.417 120.400 0.218 0.000 2.468 832 K HA 0.759 5.079 4.320 -0.001 0.000 0.252 832 K C 0.295 177.066 176.600 0.285 0.000 0.932 832 K CA 0.161 56.567 56.287 0.199 0.000 0.794 832 K CB 1.765 34.366 32.500 0.168 0.000 1.241 832 K HN 0.833 nan 8.250 nan 0.000 0.428 833 A N 1.410 124.387 122.820 0.261 0.000 2.566 833 A HA 0.093 4.412 4.320 -0.001 0.000 0.245 833 A C 1.037 178.831 177.584 0.349 0.000 1.056 833 A CA 0.986 53.196 52.037 0.287 0.000 0.757 833 A CB -0.366 18.695 19.000 0.102 0.000 0.979 833 A HN 0.864 nan 8.150 nan 0.000 0.508 834 T N -0.382 114.340 114.554 0.280 0.000 3.040 834 T HA 0.270 4.619 4.350 -0.001 0.000 0.252 834 T C 0.435 175.263 174.700 0.214 0.000 1.064 834 T CA 0.786 63.017 62.100 0.218 0.000 1.110 834 T CB 0.044 68.985 68.868 0.122 0.000 0.921 834 T HN 0.768 nan 8.240 nan 0.000 0.480 835 E N 0.203 120.519 120.200 0.194 0.000 2.352 835 E HA 0.528 4.877 4.350 -0.001 0.000 0.280 835 E C -2.147 174.529 176.600 0.126 0.000 0.930 835 E CA -0.781 55.710 56.400 0.152 0.000 0.765 835 E CB 2.740 32.501 29.700 0.103 0.000 1.219 835 E HN 0.075 nan 8.360 nan 0.000 0.434 836 V N 3.724 123.697 119.914 0.097 0.000 2.540 836 V HA 0.530 4.650 4.120 -0.001 0.000 0.302 836 V C -0.389 175.764 176.094 0.098 0.000 1.035 836 V CA -0.763 61.584 62.300 0.079 0.000 0.873 836 V CB 1.741 33.577 31.823 0.023 0.000 0.992 836 V HN 0.594 nan 8.190 nan 0.000 0.428 837 R N 3.648 124.212 120.500 0.107 0.000 2.288 837 R HA 0.560 4.900 4.340 -0.001 0.000 0.326 837 R C -1.219 175.175 176.300 0.156 0.000 0.959 837 R CA -0.686 55.486 56.100 0.120 0.000 0.834 837 R CB 1.663 32.019 30.300 0.094 0.000 1.157 837 R HN 0.537 nan 8.270 nan 0.000 0.470 838 L N 2.852 124.207 121.223 0.220 0.000 2.277 838 L HA 0.316 4.656 4.340 -0.001 0.000 0.284 838 L C -0.630 176.466 176.870 0.377 0.000 1.028 838 L CA 0.101 55.113 54.840 0.285 0.000 0.835 838 L CB 1.789 44.028 42.059 0.301 0.000 1.215 838 L HN 0.475 nan 8.230 nan 0.000 0.425 839 T N 2.895 117.637 114.554 0.312 0.000 2.744 839 T HA 0.210 4.559 4.350 -0.001 0.000 0.291 839 T C 0.067 174.962 174.700 0.324 0.000 0.957 839 T CA -0.169 62.096 62.100 0.275 0.000 1.002 839 T CB 0.914 69.881 68.868 0.164 0.000 0.919 839 T HN 0.571 nan 8.240 nan 0.000 0.468 840 S N 2.780 118.688 115.700 0.348 0.000 2.411 840 S HA 0.196 4.666 4.470 -0.001 0.000 0.294 840 S C 0.961 175.560 174.600 -0.003 0.000 1.115 840 S CA -0.739 57.560 58.200 0.166 0.000 1.071 840 S CB -0.139 63.236 63.200 0.292 0.000 0.967 840 S HN 0.669 nan 8.310 nan 0.000 0.488 841 N N 3.484 122.093 118.700 -0.151 0.000 2.405 841 N HA 0.142 4.882 4.740 -0.001 0.000 0.175 841 N C 1.082 176.517 175.510 -0.125 0.000 1.051 841 N CA 0.086 53.077 53.050 -0.098 0.000 0.899 841 N CB 0.226 38.667 38.487 -0.076 0.000 1.000 841 N HN 0.314 nan 8.380 nan 0.000 0.451 842 K N -0.235 120.030 120.400 -0.225 0.000 2.402 842 K HA 0.249 4.568 4.320 -0.001 0.000 0.204 842 K C 0.595 177.118 176.600 -0.129 0.000 1.056 842 K CA 0.022 56.205 56.287 -0.173 0.000 1.069 842 K CB 0.903 33.272 32.500 -0.218 0.000 0.888 842 K HN 0.149 nan 8.250 nan 0.000 0.546 843 G N 2.592 111.322 108.800 -0.117 0.000 2.198 843 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.260 843 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.260 843 G C 0.093 174.971 174.900 -0.037 0.000 1.025 843 G CA 0.855 45.937 45.100 -0.029 0.000 0.769 843 G HN 0.314 nan 8.290 nan 0.000 0.507 844 K N 0.217 120.551 120.400 -0.111 0.000 2.237 844 K HA 0.346 4.665 4.320 -0.001 0.000 0.270 844 K C 0.910 177.577 176.600 0.113 0.000 1.015 844 K CA -0.581 55.694 56.287 -0.019 0.000 0.949 844 K CB 0.402 32.861 32.500 -0.069 0.000 0.976 844 K HN 0.306 nan 8.250 nan 0.000 0.472 845 Q N 1.864 121.704 119.800 0.067 0.000 2.283 845 Q HA 0.018 4.357 4.340 -0.001 0.000 0.301 845 Q C -1.047 174.921 176.000 -0.054 0.000 1.063 845 Q CA -0.111 55.685 55.803 -0.011 0.000 0.952 845 Q CB 0.673 29.406 28.738 -0.009 0.000 1.166 845 Q HN 0.630 nan 8.270 nan 0.000 0.381 846 A N 3.077 125.647 122.820 -0.417 0.000 2.327 846 A HA 0.657 4.976 4.320 -0.001 0.000 0.283 846 A C -0.806 176.358 177.584 -0.700 0.000 1.127 846 A CA 0.138 51.679 52.037 -0.827 0.000 0.810 846 A CB 0.928 18.955 19.000 -1.622 0.000 1.066 846 A HN 0.782 nan 8.150 nan 0.000 0.492 847 A N 2.211 124.703 122.820 -0.547 0.000 2.414 847 A HA 0.605 4.924 4.320 -0.001 0.000 0.286 847 A C -1.122 176.256 177.584 -0.344 0.000 1.073 847 A CA -0.339 51.452 52.037 -0.410 0.000 0.727 847 A CB 1.153 20.009 19.000 -0.240 0.000 1.215 847 A HN 1.148 nan 8.150 nan 0.000 0.430 848 V N 2.910 122.632 119.914 -0.320 0.000 2.443 848 V HA 0.430 4.549 4.120 -0.001 0.000 0.293 848 V C 0.035 176.008 176.094 -0.202 0.000 1.021 848 V CA -0.648 61.532 62.300 -0.200 0.000 0.848 848 V CB 1.690 33.437 31.823 -0.126 0.000 0.998 848 V HN 0.898 nan 8.190 nan 0.000 0.424 849 K N 4.611 124.950 120.400 -0.102 0.000 2.130 849 K HA 0.693 5.012 4.320 -0.001 0.000 0.268 849 K C -1.041 175.512 176.600 -0.079 0.000 0.983 849 K CA -0.638 55.585 56.287 -0.106 0.000 0.893 849 K CB 1.276 33.798 32.500 0.036 0.000 1.066 849 K HN 0.658 nan 8.250 nan 0.000 0.450 850 I N 4.438 124.940 120.570 -0.114 0.000 2.464 850 I HA 0.086 4.255 4.170 -0.001 0.000 0.277 850 I C 0.763 176.842 176.117 -0.063 0.000 1.040 850 I CA -0.445 60.763 61.300 -0.154 0.000 1.153 850 I CB 1.706 39.471 38.000 -0.392 0.000 1.274 850 I HN 0.766 nan 8.210 nan 0.000 0.469 851 T N 3.468 118.003 114.554 -0.030 0.000 2.777 851 T HA -0.065 4.285 4.350 -0.001 0.000 0.266 851 T C 1.243 175.942 174.700 -0.002 0.000 1.040 851 T CA 1.132 63.233 62.100 0.002 0.000 1.141 851 T CB 0.090 68.965 68.868 0.013 0.000 0.868 851 T HN 0.629 nan 8.240 nan 0.000 0.444 852 A N 0.594 123.399 122.820 -0.026 0.000 3.078 852 A HA 0.629 4.949 4.320 -0.001 0.000 0.279 852 A C 1.281 178.904 177.584 0.065 0.000 1.594 852 A CA 0.170 52.206 52.037 -0.002 0.000 1.301 852 A CB -0.851 18.115 19.000 -0.057 0.000 1.162 852 A HN 0.558 nan 8.150 nan 0.000 0.585 853 G N -0.221 108.643 108.800 0.106 0.000 3.382 853 G HA2 0.419 4.378 3.960 -0.001 0.000 0.214 853 G HA3 0.419 4.378 3.960 -0.001 0.000 0.214 853 G C 0.878 175.949 174.900 0.284 0.000 1.025 853 G CA 0.612 45.857 45.100 0.242 0.000 0.869 853 G HN 2.363 nan 8.290 nan 0.000 0.458 854 G N 0.092 108.999 108.800 0.178 0.000 3.405 854 G HA2 0.366 4.326 3.960 -0.001 0.000 0.676 854 G HA3 0.366 4.326 3.960 -0.001 0.000 0.676 854 G C 0.965 175.996 174.900 0.217 0.000 1.039 854 G CA 0.814 46.004 45.100 0.150 0.000 0.855 854 G HN 1.781 nan 8.290 nan 0.000 0.443 855 A N 2.419 125.279 122.820 0.066 0.000 2.024 855 A HA -0.091 4.229 4.320 -0.001 0.000 0.220 855 A C 2.408 180.087 177.584 0.158 0.000 1.164 855 A CA 2.227 54.291 52.037 0.046 0.000 0.643 855 A CB -0.150 18.796 19.000 -0.090 0.000 0.806 855 A HN 1.497 nan 8.150 nan 0.000 0.451 856 Q N 0.385 120.249 119.800 0.105 0.000 2.364 856 Q HA -0.160 4.180 4.340 -0.001 0.000 0.207 856 Q C 0.671 176.722 176.000 0.086 0.000 0.970 856 Q CA 1.880 57.726 55.803 0.072 0.000 0.888 856 Q CB -0.869 27.892 28.738 0.039 0.000 0.951 856 Q HN 0.800 nan 8.270 nan 0.000 0.469 857 N N -0.790 117.996 118.700 0.143 0.000 2.398 857 N HA 0.101 4.840 4.740 -0.001 0.000 0.188 857 N C -0.647 174.744 175.510 -0.198 0.000 1.122 857 N CA 0.013 53.048 53.050 -0.025 0.000 0.866 857 N CB 0.189 38.617 38.487 -0.098 0.000 0.970 857 N HN 0.217 nan 8.380 nan 0.000 0.462 858 Y N 0.387 120.680 120.300 -0.011 0.000 2.630 858 Y HA 0.368 4.918 4.550 -0.001 0.000 0.337 858 Y C 0.035 175.919 175.900 -0.026 0.000 1.051 858 Y CA -1.315 56.778 58.100 -0.012 0.000 1.121 858 Y CB 1.362 39.819 38.460 -0.004 0.000 1.299 858 Y HN -0.063 nan 8.280 nan 0.000 0.498 859 E N -0.564 119.710 120.200 0.124 0.000 2.416 859 E HA 0.747 5.097 4.350 -0.001 0.000 0.273 859 E C -2.074 174.522 176.600 -0.007 0.000 0.935 859 E CA -1.067 55.352 56.400 0.031 0.000 0.784 859 E CB 2.371 32.069 29.700 -0.004 0.000 1.301 859 E HN 0.288 nan 8.360 nan 0.000 0.454 860 V N 1.305 121.157 119.914 -0.103 0.000 2.495 860 V HA 0.482 4.602 4.120 -0.001 0.000 0.298 860 V C -0.301 175.714 176.094 -0.131 0.000 1.031 860 V CA -0.753 61.423 62.300 -0.207 0.000 0.871 860 V CB 1.382 32.830 31.823 -0.625 0.000 0.988 860 V HN 0.600 nan 8.190 nan 0.000 0.432 861 K N 2.583 122.943 120.400 -0.066 0.000 2.385 861 K HA 0.493 4.813 4.320 -0.001 0.000 0.248 861 K C -0.917 175.671 176.600 -0.018 0.000 0.955 861 K CA -0.964 55.304 56.287 -0.031 0.000 0.816 861 K CB 2.193 34.679 32.500 -0.023 0.000 1.250 861 K HN 0.601 nan 8.250 nan 0.000 0.434 862 N N 1.134 119.811 118.700 -0.040 0.000 2.707 862 N HA 0.240 4.980 4.740 -0.001 0.000 0.235 862 N C 0.307 175.758 175.510 -0.098 0.000 1.028 862 N CA 0.815 53.778 53.050 -0.145 0.000 0.906 862 N CB 0.518 38.923 38.487 -0.136 0.000 1.131 862 N HN 0.838 nan 8.380 nan 0.000 0.509 863 G N 3.485 112.231 108.800 -0.090 0.000 2.596 863 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.304 863 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.304 863 G C 0.240 175.120 174.900 -0.034 0.000 1.189 863 G CA 0.590 45.658 45.100 -0.053 0.000 0.986 863 G HN 0.588 nan 8.290 nan 0.000 0.548 864 D N 1.377 121.761 120.400 -0.026 0.000 2.349 864 D HA 0.186 4.826 4.640 -0.001 0.000 0.214 864 D C 0.887 177.178 176.300 -0.014 0.000 1.063 864 D CA 0.846 54.836 54.000 -0.017 0.000 0.847 864 D CB 0.159 40.951 40.800 -0.013 0.000 0.933 864 D HN 0.327 nan 8.370 nan 0.000 0.513 865 T N 1.138 115.682 114.554 -0.016 0.000 2.897 865 T HA 0.431 4.781 4.350 -0.001 0.000 0.294 865 T C 0.224 174.920 174.700 -0.006 0.000 1.004 865 T CA -0.468 61.628 62.100 -0.006 0.000 1.106 865 T CB 1.804 70.671 68.868 -0.000 0.000 0.949 865 T HN -0.009 nan 8.240 nan 0.000 0.520 866 A N 3.253 126.072 122.820 -0.003 0.000 2.309 866 A HA 0.568 4.887 4.320 -0.001 0.000 0.290 866 A C 0.058 177.641 177.584 -0.003 0.000 1.206 866 A CA -0.567 51.465 52.037 -0.009 0.000 0.850 866 A CB 0.185 19.180 19.000 -0.009 0.000 1.118 866 A HN 0.689 nan 8.150 nan 0.000 0.523 867 V N 3.063 122.962 119.914 -0.026 0.000 2.509 867 V HA 0.129 4.248 4.120 -0.001 0.000 0.284 867 V C 0.587 176.659 176.094 -0.037 0.000 1.047 867 V CA -0.707 61.578 62.300 -0.024 0.000 0.952 867 V CB 1.402 33.163 31.823 -0.104 0.000 0.988 867 V HN 0.925 nan 8.190 nan 0.000 0.469 868 N N 3.792 122.499 118.700 0.012 0.000 2.466 868 N HA 0.353 5.093 4.740 -0.001 0.000 0.263 868 N C -0.315 175.223 175.510 0.047 0.000 1.178 868 N CA 0.107 53.173 53.050 0.026 0.000 0.983 868 N CB 0.398 38.912 38.487 0.044 0.000 1.331 868 N HN 0.867 nan 8.380 nan 0.000 0.500 869 A N 3.191 126.022 122.820 0.019 0.000 2.350 869 A HA 0.632 4.952 4.320 -0.001 0.000 0.324 869 A C -0.365 177.250 177.584 0.050 0.000 1.118 869 A CA -0.770 51.311 52.037 0.072 0.000 0.783 869 A CB 1.061 20.069 19.000 0.014 0.000 1.236 869 A HN 0.409 nan 8.150 nan 0.000 0.457 870 K N 1.149 121.583 120.400 0.057 0.000 2.164 870 K HA 0.539 4.858 4.320 -0.001 0.000 0.258 870 K C -0.776 175.816 176.600 -0.014 0.000 0.951 870 K CA -0.587 55.713 56.287 0.021 0.000 0.844 870 K CB 2.006 34.521 32.500 0.024 0.000 1.099 870 K HN 0.423 nan 8.250 nan 0.000 0.435 871 V N 3.065 122.966 119.914 -0.022 0.000 2.465 871 V HA 0.291 4.410 4.120 -0.001 0.000 0.279 871 V C 0.161 176.217 176.094 -0.062 0.000 1.045 871 V CA -0.716 61.550 62.300 -0.057 0.000 0.938 871 V CB 1.346 33.154 31.823 -0.026 0.000 0.986 871 V HN 0.550 nan 8.190 nan 0.000 0.467 872 V N 2.028 121.863 119.914 -0.132 0.000 2.960 872 V HA 1.020 5.139 4.120 -0.001 0.000 0.315 872 V C -0.224 175.855 176.094 -0.025 0.000 1.087 872 V CA -0.367 61.892 62.300 -0.067 0.000 0.982 872 V CB 2.072 33.843 31.823 -0.088 0.000 1.039 872 V HN 0.937 nan 8.190 nan 0.000 0.437 873 T N 0.015 114.646 114.554 0.128 0.000 2.883 873 T HA 0.684 5.034 4.350 -0.001 0.000 0.296 873 T C -0.649 174.204 174.700 0.254 0.000 1.117 873 T CA -0.617 61.614 62.100 0.220 0.000 1.006 873 T CB 1.938 70.867 68.868 0.102 0.000 1.191 873 T HN 1.271 nan 8.240 nan 0.000 0.508 874 N N 0.180 118.956 118.700 0.127 0.000 2.563 874 N HA 0.590 5.330 4.740 -0.001 0.000 0.288 874 N C 1.414 176.874 175.510 -0.084 0.000 1.246 874 N CA -0.526 52.438 53.050 -0.143 0.000 0.946 874 N CB 0.459 38.559 38.487 -0.646 0.000 1.213 874 N HN 0.803 nan 8.380 nan 0.000 0.578 875 A N -0.729 122.026 122.820 -0.109 0.000 2.024 875 A HA -0.144 4.176 4.320 -0.001 0.000 0.220 875 A C 0.829 178.377 177.584 -0.060 0.000 1.164 875 A CA 1.561 53.557 52.037 -0.068 0.000 0.643 875 A CB -0.679 18.279 19.000 -0.070 0.000 0.806 875 A HN 0.695 nan 8.150 nan 0.000 0.451 876 D N -1.516 118.835 120.400 -0.081 0.000 2.340 876 D HA 0.279 4.919 4.640 -0.001 0.000 0.220 876 D C 1.383 177.669 176.300 -0.024 0.000 1.039 876 D CA 1.038 55.005 54.000 -0.055 0.000 0.866 876 D CB 0.094 40.853 40.800 -0.068 0.000 0.913 876 D HN 0.576 nan 8.370 nan 0.000 0.523 877 G N 0.345 109.139 108.800 -0.010 0.000 2.176 877 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.253 877 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.253 877 G C 0.608 175.538 174.900 0.050 0.000 0.979 877 G CA 0.200 45.312 45.100 0.020 0.000 0.641 877 G HN 0.613 nan 8.290 nan 0.000 0.530 878 A N -0.334 122.529 122.820 0.072 0.000 2.332 878 A HA 0.798 5.118 4.320 -0.001 0.000 0.258 878 A C 0.614 178.336 177.584 0.230 0.000 1.087 878 A CA 0.960 53.082 52.037 0.143 0.000 0.802 878 A CB 0.731 19.843 19.000 0.187 0.000 1.042 878 A HN 1.150 nan 8.150 nan 0.000 0.489 879 S N -0.197 115.566 115.700 0.105 0.000 2.548 879 S HA 0.675 5.144 4.470 -0.001 0.000 0.286 879 S C -0.942 173.467 174.600 -0.319 0.000 1.098 879 S CA -0.432 57.738 58.200 -0.050 0.000 0.930 879 S CB 1.225 64.412 63.200 -0.023 0.000 1.070 879 S HN 0.557 nan 8.310 nan 0.000 0.480 880 L N 2.367 123.260 121.223 -0.550 0.000 2.386 880 L HA 0.558 4.898 4.340 -0.001 0.000 0.271 880 L C -1.143 175.496 176.870 -0.386 0.000 0.993 880 L CA -0.804 53.640 54.840 -0.660 0.000 0.819 880 L CB 1.586 42.926 42.059 -1.198 0.000 1.294 880 L HN 0.444 nan 8.230 nan 0.000 0.414 881 L N 3.531 124.606 121.223 -0.245 0.000 2.290 881 L HA 0.445 4.785 4.340 -0.001 0.000 0.284 881 L C -0.608 176.200 176.870 -0.103 0.000 1.078 881 L CA -0.497 54.296 54.840 -0.079 0.000 0.815 881 L CB 1.578 43.682 42.059 0.074 0.000 1.162 881 L HN 0.265 nan 8.230 nan 0.000 0.435 882 V N 4.770 124.652 119.914 -0.054 0.000 2.448 882 V HA 0.566 4.686 4.120 -0.001 0.000 0.295 882 V C -0.504 175.639 176.094 0.081 0.000 1.025 882 V CA -0.565 61.662 62.300 -0.121 0.000 0.859 882 V CB 1.218 32.956 31.823 -0.141 0.000 0.988 882 V HN 0.586 nan 8.190 nan 0.000 0.431 883 F N 0.850 120.733 119.950 -0.112 0.000 2.668 883 F HA 0.689 5.215 4.527 -0.001 0.000 0.309 883 F C -0.590 175.149 175.800 -0.101 0.000 1.117 883 F CA -1.252 56.688 58.000 -0.101 0.000 0.951 883 F CB 1.067 39.989 39.000 -0.131 0.000 1.323 883 F HN 0.327 nan 8.300 nan 0.000 0.451 884 D N 1.403 121.865 120.400 0.104 0.000 2.362 884 D HA 0.400 5.040 4.640 -0.001 0.000 0.242 884 D C 0.063 176.388 176.300 0.042 0.000 1.132 884 D CA 0.426 54.451 54.000 0.043 0.000 0.907 884 D CB 1.610 42.458 40.800 0.079 0.000 1.195 884 D HN 0.822 nan 8.370 nan 0.000 0.429 885 T N -2.274 112.287 114.554 0.011 0.000 2.906 885 T HA 0.579 4.929 4.350 -0.001 0.000 0.295 885 T C -0.355 174.451 174.700 0.176 0.000 1.061 885 T CA -0.840 61.296 62.100 0.060 0.000 1.000 885 T CB 1.597 70.478 68.868 0.020 0.000 1.103 885 T HN 0.110 nan 8.240 nan 0.000 0.486 886 T N 2.169 116.909 114.554 0.311 0.000 2.824 886 T HA 0.694 5.044 4.350 -0.001 0.000 0.280 886 T C 0.482 175.292 174.700 0.183 0.000 0.995 886 T CA -0.540 61.681 62.100 0.202 0.000 1.009 886 T CB 1.158 70.135 68.868 0.183 0.000 0.955 886 T HN 1.075 nan 8.240 nan 0.000 0.452 887 A N 1.684 124.561 122.820 0.094 0.000 2.548 887 A HA 0.509 4.829 4.320 -0.001 0.000 0.247 887 A C 1.556 179.177 177.584 0.061 0.000 1.067 887 A CA 0.514 52.584 52.037 0.055 0.000 0.757 887 A CB -0.950 18.060 19.000 0.015 0.000 0.996 887 A HN 1.634 nan 8.150 nan 0.000 0.504 888 G N 2.083 110.918 108.800 0.059 0.000 2.213 888 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.226 888 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.226 888 G C 0.381 175.306 174.900 0.041 0.000 0.992 888 G CA 0.331 45.458 45.100 0.045 0.000 0.632 888 G HN 1.188 nan 8.290 nan 0.000 0.511 889 T N 1.963 116.557 114.554 0.067 0.000 2.837 889 T HA 0.583 4.933 4.350 -0.001 0.000 0.285 889 T C 0.080 174.743 174.700 -0.062 0.000 0.984 889 T CA 0.309 62.380 62.100 -0.047 0.000 1.049 889 T CB 1.753 70.556 68.868 -0.108 0.000 0.947 889 T HN 0.177 nan 8.240 nan 0.000 0.472 890 T N 3.467 117.916 114.554 -0.176 0.000 2.767 890 T HA 0.415 4.765 4.350 -0.001 0.000 0.284 890 T C -0.797 173.707 174.700 -0.327 0.000 0.973 890 T CA -0.340 61.706 62.100 -0.090 0.000 0.996 890 T CB 0.106 68.971 68.868 -0.005 0.000 0.927 890 T HN 0.384 nan 8.240 nan 0.000 0.456 891 Y N 1.490 121.863 120.300 0.122 0.000 2.330 891 Y HA 0.428 4.978 4.550 -0.001 0.000 0.336 891 Y C 1.059 176.986 175.900 0.046 0.000 1.036 891 Y CA -0.802 57.342 58.100 0.072 0.000 1.125 891 Y CB 1.291 39.838 38.460 0.144 0.000 1.194 891 Y HN 0.472 nan 8.280 nan 0.000 0.469 892 T N 5.403 120.012 114.554 0.090 0.000 2.779 892 T HA 0.588 4.937 4.350 -0.001 0.000 0.280 892 T C -0.393 174.341 174.700 0.057 0.000 0.987 892 T CA -0.539 61.602 62.100 0.068 0.000 0.966 892 T CB 0.314 69.201 68.868 0.033 0.000 0.933 892 T HN 0.376 nan 8.240 nan 0.000 0.442 893 I N 3.914 124.533 120.570 0.081 0.000 2.389 893 I HA 0.486 4.656 4.170 -0.001 0.000 0.288 893 I C 0.468 176.700 176.117 0.191 0.000 0.999 893 I CA -0.661 60.698 61.300 0.097 0.000 1.129 893 I CB 1.714 39.751 38.000 0.063 0.000 1.288 893 I HN 0.674 nan 8.210 nan 0.000 0.444 894 T N 1.948 116.639 114.554 0.227 0.000 2.865 894 T HA 0.477 4.827 4.350 -0.001 0.000 0.294 894 T C -0.401 174.366 174.700 0.112 0.000 1.119 894 T CA -1.196 61.039 62.100 0.226 0.000 1.007 894 T CB 1.958 70.879 68.868 0.090 0.000 1.225 894 T HN 0.187 nan 8.240 nan 0.000 0.515 895 K N 1.706 122.021 120.400 -0.142 0.000 2.401 895 K HA 0.228 4.548 4.320 -0.001 0.000 0.278 895 K C 0.586 177.050 176.600 -0.226 0.000 1.018 895 K CA -0.081 55.914 56.287 -0.487 0.000 0.981 895 K CB 0.796 33.044 32.500 -0.419 0.000 0.933 895 K HN 0.584 nan 8.250 nan 0.000 0.477 896 K N 0.000 120.269 120.400 -0.218 0.000 2.780 896 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 896 K CA 0.000 56.221 56.287 -0.111 0.000 0.838 896 K CB 0.000 32.448 32.500 -0.087 0.000 1.064 896 K HN 0.000 nan 8.250 nan 0.000 0.543