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 1fn9_1_B DATA FIRST_RESID 1 DATA SEQUENCE MEVCLPNGHQ VVDLINNAFE GRVSIYSAQE GWDKTISAQP DMMVCGGAVV DATA SEQUENCE CMHCLGVVGS LQRKLKHLPH HRCNQQIRHQ DYVDVQFADR VTAHWKRGML DATA SEQUENCE SFVAQMHEMM NDVSPDDLDR VRTEGGSLVE LNWLQVDPNS MFRSIHSSWT DATA SEQUENCE DPLQVVDDLD TKLDQYWTAL NLMIDSSDLI PNFMMRDPSH AFNGVKLGGD DATA SEQUENCE ARQTQFSRTF DSRSSLEWGV MVYDYSELEH DPSKGRAYRK ELVTPARDFG DATA SEQUENCE HFGLSHYSRA TTPILGKMPA VFSGMLTGNC KMYPFIKGTA KLKTVRKLVE DATA SEQUENCE AVNHAWGVEK IRYALGPGGM TGWYNRTMQQ APIVLTPAAL TMFPDTIKFG DATA SEQUENCE DLNYPVMIGD PMILG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.366 176.300 0.109 0.000 1.140 1 M CA 0.000 55.358 55.300 0.097 0.000 0.988 1 M CB 0.000 32.662 32.600 0.104 0.000 1.302 2 E N 2.244 122.493 120.200 0.082 0.000 2.331 2 E HA 0.589 4.939 4.350 -0.000 0.000 0.272 2 E C -0.496 176.178 176.600 0.122 0.000 1.036 2 E CA -0.252 56.199 56.400 0.085 0.000 0.864 2 E CB 2.152 31.884 29.700 0.053 0.000 1.035 2 E HN 0.637 nan 8.360 nan 0.000 0.408 3 V N -0.870 119.146 119.914 0.170 0.000 3.046 3 V HA 0.657 4.777 4.120 -0.000 0.000 0.316 3 V C -0.094 176.208 176.094 0.347 0.000 1.104 3 V CA -0.946 61.479 62.300 0.208 0.000 1.006 3 V CB 1.803 33.734 31.823 0.181 0.000 1.058 3 V HN 0.681 nan 8.190 nan 0.000 0.440 4 C N 1.750 121.209 119.300 0.264 0.000 2.486 4 C HA 0.717 5.177 4.460 -0.000 0.000 0.348 4 C C 0.329 175.296 174.990 -0.039 0.000 1.203 4 C CA -0.751 58.399 59.018 0.219 0.000 1.911 4 C CB 1.147 29.002 27.740 0.191 0.000 2.340 4 C HN 0.953 nan 8.230 nan 0.000 0.511 5 L N 3.417 124.404 121.223 -0.394 0.000 2.464 5 L HA 0.304 4.644 4.340 -0.000 0.000 0.264 5 L C -1.626 175.063 176.870 -0.302 0.000 1.199 5 L CA -0.815 53.677 54.840 -0.579 0.000 0.818 5 L CB 0.430 41.999 42.059 -0.817 0.000 1.102 5 L HN 0.484 nan 8.230 nan 0.000 0.473 6 P HA 0.128 nan 4.420 nan 0.000 0.276 6 P C -1.560 175.579 177.300 -0.268 0.000 1.261 6 P CA -0.600 62.367 63.100 -0.222 0.000 0.800 6 P CB 0.534 32.110 31.700 -0.207 0.000 1.066 7 N N -1.732 116.833 118.700 -0.224 0.000 2.458 7 N HA 0.259 4.999 4.740 -0.000 0.000 0.271 7 N C 1.539 176.812 175.510 -0.394 0.000 1.210 7 N CA -0.451 52.448 53.050 -0.253 0.000 0.978 7 N CB -0.570 37.844 38.487 -0.121 0.000 1.206 7 N HN 0.377 nan 8.380 nan 0.000 0.536 8 G N -1.114 107.368 108.800 -0.530 0.000 2.422 8 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 8 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 8 G C 0.998 175.671 174.900 -0.378 0.000 1.146 8 G CA 0.666 45.231 45.100 -0.893 0.000 0.769 8 G HN 0.714 nan 8.290 nan 0.000 0.547 9 H N 0.340 119.387 119.070 -0.038 0.000 2.387 9 H HA -0.032 4.524 4.556 -0.000 0.000 0.299 9 H C 2.682 178.006 175.328 -0.007 0.000 1.090 9 H CA 1.456 57.524 56.048 0.034 0.000 1.332 9 H CB -0.084 29.685 29.762 0.012 0.000 1.386 9 H HN 0.480 nan 8.280 nan 0.000 0.516 10 Q N 0.268 120.076 119.800 0.012 0.000 2.167 10 Q HA -0.060 4.280 4.340 -0.000 0.000 0.202 10 Q C 2.534 178.504 176.000 -0.051 0.000 0.970 10 Q CA 1.036 56.825 55.803 -0.025 0.000 0.855 10 Q CB 0.231 28.927 28.738 -0.072 0.000 0.911 10 Q HN 0.207 nan 8.270 nan 0.000 0.438 11 V N -0.128 119.691 119.914 -0.159 0.000 2.453 11 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 11 V C 2.152 178.309 176.094 0.105 0.000 1.048 11 V CA 1.062 63.281 62.300 -0.135 0.000 1.049 11 V CB -0.292 31.219 31.823 -0.520 0.000 0.672 11 V HN 0.156 nan 8.190 nan 0.000 0.457 12 V N 0.437 120.474 119.914 0.206 0.000 2.407 12 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 12 V C 2.297 178.491 176.094 0.167 0.000 1.055 12 V CA 2.186 64.641 62.300 0.259 0.000 1.049 12 V CB -0.642 31.337 31.823 0.259 0.000 0.662 12 V HN 0.560 nan 8.190 nan 0.000 0.455 13 D N -0.283 120.192 120.400 0.126 0.000 2.144 13 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 13 D C 1.956 178.322 176.300 0.109 0.000 0.978 13 D CA 1.065 55.128 54.000 0.105 0.000 0.833 13 D CB -0.270 40.575 40.800 0.076 0.000 0.961 13 D HN 0.372 nan 8.370 nan 0.000 0.470 14 L N 0.866 122.148 121.223 0.098 0.000 2.012 14 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 14 L C 2.116 179.076 176.870 0.150 0.000 1.073 14 L CA 1.450 56.352 54.840 0.103 0.000 0.748 14 L CB -0.493 41.613 42.059 0.078 0.000 0.891 14 L HN -0.025 nan 8.230 nan 0.000 0.431 15 I N -0.201 120.485 120.570 0.194 0.000 2.179 15 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 15 I C 2.135 178.447 176.117 0.325 0.000 1.088 15 I CA 1.232 62.699 61.300 0.278 0.000 1.357 15 I CB -0.618 37.549 38.000 0.277 0.000 1.051 15 I HN 0.369 nan 8.210 nan 0.000 0.409 16 N N 1.081 119.919 118.700 0.231 0.000 2.166 16 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 16 N C 1.517 177.164 175.510 0.227 0.000 1.019 16 N CA 1.403 54.586 53.050 0.222 0.000 0.856 16 N CB -0.605 37.969 38.487 0.145 0.000 0.993 16 N HN 0.490 nan 8.380 nan 0.000 0.426 17 N N 0.586 119.390 118.700 0.173 0.000 2.188 17 N HA -0.046 4.694 4.740 -0.000 0.000 0.184 17 N C 1.734 177.316 175.510 0.119 0.000 1.018 17 N CA 0.871 54.005 53.050 0.139 0.000 0.858 17 N CB -0.015 38.536 38.487 0.106 0.000 0.989 17 N HN 0.196 nan 8.380 nan 0.000 0.426 18 A N 0.617 123.494 122.820 0.094 0.000 1.933 18 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 18 A C 1.369 178.831 177.584 -0.204 0.000 1.175 18 A CA 1.155 53.155 52.037 -0.061 0.000 0.628 18 A CB -0.684 18.244 19.000 -0.121 0.000 0.814 18 A HN 0.265 nan 8.150 nan 0.000 0.444 19 F N -0.032 120.002 119.950 0.140 0.000 2.769 19 F HA 0.136 4.663 4.527 0.000 0.000 0.304 19 F C 1.675 177.588 175.800 0.190 0.000 1.158 19 F CA 0.635 58.725 58.000 0.152 0.000 1.398 19 F CB 0.214 39.269 39.000 0.092 0.000 1.094 19 F HN 0.301 nan 8.300 nan 0.000 0.553 20 E N -0.827 119.516 120.200 0.238 0.000 2.601 20 E HA 0.183 4.533 4.350 -0.000 0.000 0.219 20 E C 1.467 178.157 176.600 0.149 0.000 0.964 20 E CA 0.280 56.811 56.400 0.219 0.000 1.050 20 E CB 0.673 30.494 29.700 0.202 0.000 1.068 20 E HN 0.274 nan 8.360 nan 0.000 0.496 21 G N 3.275 112.137 108.800 0.103 0.000 2.225 21 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.267 21 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.267 21 G C 0.650 175.587 174.900 0.063 0.000 1.024 21 G CA 0.943 46.083 45.100 0.065 0.000 0.784 21 G HN 0.386 nan 8.290 nan 0.000 0.507 22 R N -1.003 119.541 120.500 0.073 0.000 2.652 22 R HA 0.506 4.846 4.340 -0.000 0.000 0.372 22 R C 0.227 176.572 176.300 0.075 0.000 1.104 22 R CA -0.516 55.627 56.100 0.071 0.000 1.072 22 R CB 0.426 30.769 30.300 0.072 0.000 1.367 22 R HN 0.196 nan 8.270 nan 0.000 0.577 23 V N 1.744 121.705 119.914 0.080 0.000 2.585 23 V HA 0.028 4.148 4.120 -0.000 0.000 0.296 23 V C 0.424 176.594 176.094 0.127 0.000 1.035 23 V CA 0.242 62.600 62.300 0.097 0.000 1.084 23 V CB 1.463 33.345 31.823 0.100 0.000 0.953 23 V HN 0.337 nan 8.190 nan 0.000 0.483 24 S N 6.101 121.891 115.700 0.151 0.000 2.439 24 S HA 0.562 5.032 4.470 -0.000 0.000 0.282 24 S C -0.237 174.618 174.600 0.425 0.000 1.170 24 S CA -0.256 58.091 58.200 0.245 0.000 1.054 24 S CB 0.127 63.391 63.200 0.107 0.000 0.956 24 S HN 0.485 nan 8.310 nan 0.000 0.490 25 I N 3.538 124.352 120.570 0.406 0.000 2.474 25 I HA 0.382 4.552 4.170 -0.000 0.000 0.294 25 I C -0.868 175.309 176.117 0.099 0.000 1.005 25 I CA -0.888 60.562 61.300 0.251 0.000 1.113 25 I CB 1.493 39.571 38.000 0.129 0.000 1.289 25 I HN 0.585 nan 8.210 nan 0.000 0.436 26 Y N 6.002 126.041 120.300 -0.435 0.000 2.352 26 Y HA 0.608 5.158 4.550 -0.000 0.000 0.339 26 Y C -0.278 175.367 175.900 -0.425 0.000 0.992 26 Y CA -0.458 57.123 58.100 -0.866 0.000 1.100 26 Y CB 1.571 38.973 38.460 -1.763 0.000 1.192 26 Y HN 0.613 nan 8.280 nan 0.000 0.458 27 S N 3.552 118.640 115.700 -1.021 0.000 2.548 27 S HA 0.720 5.190 4.470 -0.000 0.000 0.286 27 S C 0.390 174.445 174.600 -0.909 0.000 1.098 27 S CA -0.411 57.406 58.200 -0.637 0.000 0.930 27 S CB 1.580 64.581 63.200 -0.331 0.000 1.070 27 S HN 1.013 nan 8.310 nan 0.000 0.480 28 A N 1.172 123.740 122.820 -0.420 0.000 1.933 28 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 28 A C 2.137 179.583 177.584 -0.231 0.000 1.175 28 A CA 1.828 53.722 52.037 -0.239 0.000 0.628 28 A CB -1.021 17.960 19.000 -0.032 0.000 0.814 28 A HN 0.939 nan 8.150 nan 0.000 0.444 29 Q N -1.023 118.657 119.800 -0.201 0.000 2.079 29 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 29 Q C 1.012 176.917 176.000 -0.159 0.000 0.974 29 Q CA 1.592 57.310 55.803 -0.141 0.000 0.840 29 Q CB -0.002 28.671 28.738 -0.108 0.000 0.898 29 Q HN 0.600 nan 8.270 nan 0.000 0.430 30 E N -0.860 119.202 120.200 -0.230 0.000 2.526 30 E HA 0.183 4.533 4.350 -0.000 0.000 0.208 30 E C 0.783 177.250 176.600 -0.221 0.000 0.997 30 E CA 0.572 56.863 56.400 -0.182 0.000 0.961 30 E CB 1.100 30.716 29.700 -0.139 0.000 1.030 30 E HN 0.482 nan 8.360 nan 0.000 0.483 31 G N 1.290 109.821 108.800 -0.448 0.000 2.552 31 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.265 31 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.265 31 G C 0.178 174.840 174.900 -0.397 0.000 1.234 31 G CA 0.083 44.930 45.100 -0.422 0.000 0.944 31 G HN 0.360 nan 8.290 nan 0.000 0.568 32 W N 1.051 122.391 121.300 0.067 0.000 3.256 32 W HA 0.390 5.049 4.660 -0.000 0.000 0.269 32 W C 0.900 177.437 176.519 0.031 0.000 1.310 32 W CA 0.313 57.716 57.345 0.097 0.000 1.673 32 W CB 0.447 29.993 29.460 0.143 0.000 1.115 32 W HN 0.444 nan 8.180 nan 0.000 0.686 33 D N 1.480 121.977 120.400 0.162 0.000 2.347 33 D HA 0.040 4.680 4.640 -0.000 0.000 0.235 33 D C 0.863 177.187 176.300 0.040 0.000 1.149 33 D CA -0.036 54.024 54.000 0.099 0.000 0.850 33 D CB 0.800 41.638 40.800 0.064 0.000 1.061 33 D HN 0.250 nan 8.370 nan 0.000 0.487 34 K N 1.592 122.023 120.400 0.051 0.000 2.469 34 K HA 0.083 4.403 4.320 -0.000 0.000 0.201 34 K C 0.995 177.588 176.600 -0.011 0.000 1.028 34 K CA -0.250 56.046 56.287 0.015 0.000 1.170 34 K CB 0.103 32.627 32.500 0.039 0.000 0.874 34 K HN 0.087 nan 8.250 nan 0.000 0.507 35 T N 1.412 115.963 114.554 -0.005 0.000 2.665 35 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 35 T C 0.802 175.484 174.700 -0.029 0.000 1.035 35 T CA 0.869 62.960 62.100 -0.015 0.000 1.151 35 T CB -0.058 68.810 68.868 -0.000 0.000 0.862 35 T HN 0.202 nan 8.240 nan 0.000 0.438 36 I N 1.502 122.052 120.570 -0.033 0.000 2.353 36 I HA 0.304 4.474 4.170 -0.000 0.000 0.293 36 I C 0.556 176.634 176.117 -0.064 0.000 0.992 36 I CA -0.832 60.440 61.300 -0.047 0.000 1.268 36 I CB 1.046 39.019 38.000 -0.045 0.000 1.387 36 I HN 0.050 nan 8.210 nan 0.000 0.478 37 S N 4.877 120.525 115.700 -0.086 0.000 2.562 37 S HA 0.638 5.108 4.470 -0.000 0.000 0.281 37 S C -0.145 174.400 174.600 -0.091 0.000 1.333 37 S CA -0.210 57.926 58.200 -0.107 0.000 1.052 37 S CB 0.265 63.344 63.200 -0.201 0.000 0.884 37 S HN 0.846 nan 8.310 nan 0.000 0.506 38 A N 3.785 126.564 122.820 -0.068 0.000 2.608 38 A HA 0.477 4.797 4.320 -0.000 0.000 0.292 38 A C -0.829 176.732 177.584 -0.040 0.000 1.066 38 A CA -0.731 51.268 52.037 -0.064 0.000 0.676 38 A CB 0.991 19.935 19.000 -0.094 0.000 1.277 38 A HN 0.790 nan 8.150 nan 0.000 0.413 39 Q N 0.961 120.722 119.800 -0.064 0.000 2.274 39 Q HA 0.284 4.624 4.340 -0.000 0.000 0.280 39 Q C -2.234 173.721 176.000 -0.075 0.000 1.047 39 Q CA -1.245 54.468 55.803 -0.150 0.000 0.907 39 Q CB 0.250 28.823 28.738 -0.274 0.000 1.171 39 Q HN 0.382 nan 8.270 nan 0.000 0.381 40 P HA -0.000 nan 4.420 nan 0.000 0.271 40 P C -0.790 176.470 177.300 -0.067 0.000 1.220 40 P CA 0.070 63.171 63.100 0.001 0.000 0.768 40 P CB 0.766 32.519 31.700 0.088 0.000 0.848 41 D N 1.876 122.256 120.400 -0.035 0.000 2.379 41 D HA 0.154 4.794 4.640 -0.000 0.000 0.218 41 D C 0.638 176.927 176.300 -0.018 0.000 1.006 41 D CA 1.245 55.279 54.000 0.057 0.000 0.893 41 D CB 0.361 41.309 40.800 0.246 0.000 1.019 41 D HN 0.352 nan 8.370 nan 0.000 0.503 42 M N 0.127 119.710 119.600 -0.027 0.000 2.531 42 M HA 0.446 4.926 4.480 -0.000 0.000 0.286 42 M C -1.163 175.137 176.300 -0.001 0.000 1.232 42 M CA -0.366 54.903 55.300 -0.052 0.000 0.877 42 M CB 3.482 36.031 32.600 -0.084 0.000 1.726 42 M HN -0.312 nan 8.290 nan 0.000 0.463 43 M N 1.514 121.142 119.600 0.046 0.000 2.446 43 M HA 0.490 4.970 4.480 -0.000 0.000 0.294 43 M C -1.195 175.197 176.300 0.154 0.000 1.158 43 M CA -0.957 54.417 55.300 0.124 0.000 0.899 43 M CB 2.879 35.495 32.600 0.026 0.000 1.687 43 M HN 0.339 nan 8.290 nan 0.000 0.455 44 V N 1.842 121.874 119.914 0.197 0.000 2.488 44 V HA 0.166 4.286 4.120 -0.000 0.000 0.277 44 V C -0.572 175.554 176.094 0.053 0.000 1.046 44 V CA -0.179 62.182 62.300 0.101 0.000 0.986 44 V CB 0.891 32.740 31.823 0.043 0.000 0.989 44 V HN 0.925 nan 8.190 nan 0.000 0.475 45 C N 5.645 124.957 119.300 0.019 0.000 2.362 45 C HA 0.735 5.195 4.460 -0.000 0.000 0.309 45 C C 1.225 176.213 174.990 -0.002 0.000 1.110 45 C CA -0.064 58.956 59.018 0.004 0.000 1.485 45 C CB -0.596 27.125 27.740 -0.031 0.000 1.949 45 C HN 1.306 nan 8.230 nan 0.000 0.419 46 G N 3.462 112.270 108.800 0.013 0.000 2.591 46 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.298 46 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.298 46 G C 0.989 175.884 174.900 -0.009 0.000 1.195 46 G CA 0.498 45.604 45.100 0.010 0.000 0.989 46 G HN 1.225 nan 8.290 nan 0.000 0.551 47 G N 0.773 109.562 108.800 -0.017 0.000 2.985 47 G HA2 0.625 4.585 3.960 -0.000 0.000 0.209 47 G HA3 0.625 4.585 3.960 -0.000 0.000 0.209 47 G C 0.559 175.439 174.900 -0.033 0.000 1.165 47 G CA 1.555 46.638 45.100 -0.028 0.000 0.776 47 G HN 1.769 nan 8.290 nan 0.000 0.541 48 A N -0.356 122.446 122.820 -0.030 0.000 2.311 48 A HA 0.740 5.060 4.320 -0.000 0.000 0.334 48 A C -0.814 176.760 177.584 -0.017 0.000 1.139 48 A CA -0.433 51.585 52.037 -0.032 0.000 0.830 48 A CB 1.903 20.876 19.000 -0.044 0.000 1.234 48 A HN 0.172 nan 8.150 nan 0.000 0.483 49 V N 1.706 121.613 119.914 -0.011 0.000 2.398 49 V HA 0.455 4.575 4.120 -0.000 0.000 0.286 49 V C -0.414 175.672 176.094 -0.013 0.000 1.026 49 V CA -0.372 61.948 62.300 0.032 0.000 0.868 49 V CB 1.286 33.148 31.823 0.065 0.000 0.982 49 V HN 0.619 nan 8.190 nan 0.000 0.443 50 V N 3.998 123.905 119.914 -0.011 0.000 2.555 50 V HA 0.326 4.446 4.120 -0.000 0.000 0.302 50 V C 0.139 176.192 176.094 -0.067 0.000 1.038 50 V CA -0.691 61.577 62.300 -0.054 0.000 0.887 50 V CB 1.844 33.627 31.823 -0.066 0.000 0.991 50 V HN 1.037 nan 8.190 nan 0.000 0.434 51 C N 6.983 126.240 119.300 -0.073 0.000 2.576 51 C HA 0.249 4.709 4.460 -0.000 0.000 0.401 51 C C 1.626 176.580 174.990 -0.061 0.000 1.314 51 C CA -0.468 58.534 59.018 -0.027 0.000 1.855 51 C CB -0.261 27.499 27.740 0.035 0.000 2.537 51 C HN 0.871 nan 8.230 nan 0.000 0.578 52 M N 4.134 123.605 119.600 -0.216 0.000 2.618 52 M HA 0.055 4.535 4.480 -0.000 0.000 0.240 52 M C 1.126 177.224 176.300 -0.336 0.000 1.123 52 M CA 1.081 56.115 55.300 -0.443 0.000 1.060 52 M CB -1.349 30.743 32.600 -0.846 0.000 1.535 52 M HN 0.837 nan 8.290 nan 0.000 0.507 53 H N -1.271 117.850 119.070 0.086 0.000 2.562 53 H HA 0.055 4.611 4.556 -0.000 0.000 0.267 53 H C 1.897 177.327 175.328 0.170 0.000 0.959 53 H CA 1.052 57.187 56.048 0.145 0.000 1.204 53 H CB 0.408 30.245 29.762 0.125 0.000 1.430 53 H HN 0.606 nan 8.280 nan 0.000 0.545 54 C N -2.492 116.979 119.300 0.284 0.000 4.100 54 C HA 0.377 4.837 4.460 -0.000 0.000 0.393 54 C C 0.793 176.064 174.990 0.468 0.000 1.619 54 C CA -0.637 58.581 59.018 0.334 0.000 1.976 54 C CB -0.504 27.421 27.740 0.308 0.000 2.992 54 C HN 0.394 nan 8.230 nan 0.000 0.694 55 L N 1.571 122.947 121.223 0.255 0.000 3.865 55 L HA -0.019 4.321 4.340 -0.000 0.000 0.408 55 L C 0.485 177.424 176.870 0.114 0.000 1.209 55 L CA 0.996 55.906 54.840 0.117 0.000 0.940 55 L CB -1.510 40.578 42.059 0.048 0.000 1.971 55 L HN 0.816 nan 8.230 nan 0.000 0.899 56 G N -0.778 108.154 108.800 0.219 0.000 2.389 56 G HA2 0.541 4.501 3.960 -0.000 0.000 0.317 56 G HA3 0.541 4.501 3.960 -0.000 0.000 0.317 56 G C -0.401 174.500 174.900 0.003 0.000 1.137 56 G CA -0.319 44.901 45.100 0.200 0.000 0.870 56 G HN 0.107 nan 8.290 nan 0.000 0.496 57 V N 2.207 122.111 119.914 -0.017 0.000 2.439 57 V HA 0.089 4.209 4.120 -0.000 0.000 0.271 57 V C 1.329 177.373 176.094 -0.082 0.000 1.040 57 V CA 0.074 62.341 62.300 -0.055 0.000 1.002 57 V CB 1.104 32.901 31.823 -0.043 0.000 1.000 57 V HN 0.742 nan 8.190 nan 0.000 0.477 58 V N 2.091 121.927 119.914 -0.129 0.000 3.578 58 V HA 0.786 4.906 4.120 -0.000 0.000 0.290 58 V C 0.695 176.723 176.094 -0.111 0.000 1.376 58 V CA 0.698 62.893 62.300 -0.174 0.000 1.083 58 V CB -0.186 31.455 31.823 -0.302 0.000 0.911 58 V HN 0.972 nan 8.190 nan 0.000 0.433 59 G N 0.169 108.925 108.800 -0.072 0.000 2.342 59 G HA2 0.509 4.469 3.960 -0.000 0.000 0.297 59 G HA3 0.509 4.469 3.960 -0.000 0.000 0.297 59 G C -1.062 173.815 174.900 -0.038 0.000 1.313 59 G CA 0.030 45.099 45.100 -0.051 0.000 0.830 59 G HN 0.821 nan 8.290 nan 0.000 0.506 60 S N -1.014 114.665 115.700 -0.035 0.000 2.607 60 S HA 0.603 5.073 4.470 -0.000 0.000 0.303 60 S C 0.926 175.494 174.600 -0.053 0.000 1.086 60 S CA -0.431 57.746 58.200 -0.038 0.000 0.995 60 S CB 1.948 65.127 63.200 -0.034 0.000 1.084 60 S HN 1.271 nan 8.310 nan 0.000 0.507 61 L N 1.571 122.756 121.223 -0.064 0.000 2.083 61 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 61 L C 2.693 179.505 176.870 -0.095 0.000 1.083 61 L CA 2.212 56.992 54.840 -0.100 0.000 0.752 61 L CB -1.166 40.839 42.059 -0.091 0.000 0.899 61 L HN 0.970 nan 8.230 nan 0.000 0.433 62 Q N -1.516 118.245 119.800 -0.065 0.000 2.364 62 Q HA -0.174 4.166 4.340 -0.000 0.000 0.207 62 Q C 1.951 177.922 176.000 -0.048 0.000 0.970 62 Q CA 1.132 56.902 55.803 -0.055 0.000 0.888 62 Q CB -0.438 28.277 28.738 -0.039 0.000 0.951 62 Q HN 0.443 nan 8.270 nan 0.000 0.469 63 R N 1.059 121.531 120.500 -0.046 0.000 2.275 63 R HA 0.054 4.394 4.340 -0.000 0.000 0.199 63 R C 0.030 176.313 176.300 -0.029 0.000 0.989 63 R CA 0.326 56.409 56.100 -0.030 0.000 1.016 63 R CB 0.059 30.347 30.300 -0.020 0.000 0.918 63 R HN 0.228 nan 8.270 nan 0.000 0.473 64 K N 1.196 121.559 120.400 -0.062 0.000 3.393 64 K HA -0.169 4.151 4.320 -0.000 0.000 0.272 64 K C -1.128 175.475 176.600 0.005 0.000 1.004 64 K CA -0.051 56.194 56.287 -0.069 0.000 0.764 64 K CB -0.845 31.626 32.500 -0.048 0.000 1.373 64 K HN -0.025 nan 8.250 nan 0.000 0.458 65 L N 1.675 122.917 121.223 0.032 0.000 2.485 65 L HA 0.013 4.353 4.340 -0.000 0.000 0.275 65 L C 1.504 178.541 176.870 0.278 0.000 1.207 65 L CA 0.839 55.743 54.840 0.108 0.000 0.855 65 L CB 0.806 42.891 42.059 0.042 0.000 1.114 65 L HN 0.196 nan 8.230 nan 0.000 0.485 66 K N 2.005 122.549 120.400 0.240 0.000 2.438 66 K HA 0.222 4.542 4.320 -0.000 0.000 0.206 66 K C -0.184 176.503 176.600 0.145 0.000 1.081 66 K CA 0.018 56.479 56.287 0.289 0.000 1.053 66 K CB 0.353 33.001 32.500 0.246 0.000 0.908 66 K HN 0.814 nan 8.250 nan 0.000 0.556 67 H N -1.662 117.286 119.070 -0.202 0.000 2.990 67 H HA 0.316 4.872 4.556 -0.000 0.000 0.343 67 H C -1.092 174.000 175.328 -0.394 0.000 1.270 67 H CA -1.140 54.739 56.048 -0.283 0.000 1.118 67 H CB 0.726 30.429 29.762 -0.098 0.000 1.861 67 H HN -0.117 nan 8.280 nan 0.000 0.544 68 L N 2.743 123.707 121.223 -0.431 0.000 2.325 68 L HA 0.372 4.712 4.340 -0.000 0.000 0.284 68 L C -2.525 174.117 176.870 -0.380 0.000 1.089 68 L CA -1.358 53.273 54.840 -0.349 0.000 0.836 68 L CB 0.188 42.224 42.059 -0.039 0.000 1.184 68 L HN 0.411 nan 8.230 nan 0.000 0.444 69 P HA 0.058 nan 4.420 nan 0.000 0.267 69 P C -0.986 176.339 177.300 0.041 0.000 1.200 69 P CA 0.099 62.991 63.100 -0.347 0.000 0.772 69 P CB 0.223 31.778 31.700 -0.241 0.000 0.855 70 H N 3.257 122.428 119.070 0.167 0.000 2.848 70 H HA 0.185 4.741 4.556 -0.000 0.000 0.341 70 H C 0.871 176.324 175.328 0.209 0.000 1.060 70 H CA 0.784 56.919 56.048 0.145 0.000 1.444 70 H CB -0.021 29.795 29.762 0.089 0.000 1.446 70 H HN 0.666 nan 8.280 nan 0.000 0.583 71 H N 0.650 119.801 119.070 0.135 0.000 2.967 71 H HA 0.247 4.803 4.556 -0.000 0.000 0.318 71 H C -0.729 174.629 175.328 0.050 0.000 1.375 71 H CA -1.029 55.067 56.048 0.079 0.000 1.132 71 H CB 1.367 31.166 29.762 0.062 0.000 1.848 71 H HN 0.369 nan 8.280 nan 0.000 0.524 72 R N 1.622 122.139 120.500 0.028 0.000 2.325 72 R HA 0.237 4.577 4.340 -0.000 0.000 0.323 72 R C -0.968 175.296 176.300 -0.060 0.000 1.177 72 R CA -0.130 55.935 56.100 -0.058 0.000 1.018 72 R CB -1.006 29.284 30.300 -0.017 0.000 1.070 72 R HN 0.568 nan 8.270 nan 0.000 0.495 73 C N 5.991 125.162 119.300 -0.214 0.000 2.325 73 C HA 0.192 4.652 4.460 -0.000 0.000 0.347 73 C C 1.635 176.584 174.990 -0.069 0.000 1.263 73 C CA -0.880 58.071 59.018 -0.112 0.000 1.806 73 C CB -0.516 27.069 27.740 -0.258 0.000 2.405 73 C HN 0.872 nan 8.230 nan 0.000 0.537 74 N N 3.091 121.751 118.700 -0.067 0.000 2.520 74 N HA -0.101 4.639 4.740 -0.000 0.000 0.185 74 N C 0.822 176.315 175.510 -0.028 0.000 1.068 74 N CA 0.758 53.745 53.050 -0.105 0.000 0.911 74 N CB -0.470 37.872 38.487 -0.242 0.000 0.961 74 N HN 0.890 nan 8.380 nan 0.000 0.446 75 Q N -1.580 118.244 119.800 0.040 0.000 2.436 75 Q HA -0.250 4.090 4.340 -0.000 0.000 0.264 75 Q C 0.074 176.135 176.000 0.101 0.000 1.093 75 Q CA 0.781 56.638 55.803 0.090 0.000 0.994 75 Q CB -1.072 27.684 28.738 0.030 0.000 1.434 75 Q HN 0.576 nan 8.270 nan 0.000 0.520 76 Q N -0.385 119.474 119.800 0.098 0.000 2.402 76 Q HA 0.102 4.442 4.340 -0.000 0.000 0.206 76 Q C 0.620 176.713 176.000 0.155 0.000 0.919 76 Q CA 0.423 56.286 55.803 0.101 0.000 0.923 76 Q CB 0.596 29.378 28.738 0.072 0.000 1.048 76 Q HN 0.397 nan 8.270 nan 0.000 0.515 77 I N 2.525 123.219 120.570 0.207 0.000 2.337 77 I HA 0.152 4.322 4.170 -0.000 0.000 0.291 77 I C 0.393 176.669 176.117 0.266 0.000 1.046 77 I CA -0.092 61.354 61.300 0.243 0.000 1.324 77 I CB 0.390 38.546 38.000 0.260 0.000 1.409 77 I HN -0.134 nan 8.210 nan 0.000 0.494 78 R N 3.638 124.272 120.500 0.224 0.000 2.532 78 R HA 0.247 4.587 4.340 -0.000 0.000 0.272 78 R C 1.435 177.832 176.300 0.162 0.000 1.032 78 R CA -0.558 55.657 56.100 0.192 0.000 1.089 78 R CB 0.880 31.246 30.300 0.110 0.000 1.098 78 R HN 0.527 nan 8.270 nan 0.000 0.526 79 H N 1.495 120.538 119.070 -0.045 0.000 2.353 79 H HA -0.251 4.305 4.556 -0.000 0.000 0.298 79 H C 1.622 176.656 175.328 -0.490 0.000 1.103 79 H CA 2.074 57.887 56.048 -0.391 0.000 1.293 79 H CB 0.517 30.180 29.762 -0.165 0.000 1.372 79 H HN 0.631 nan 8.280 nan 0.000 0.501 80 Q N 0.073 119.777 119.800 -0.160 0.000 2.291 80 Q HA -0.137 4.203 4.340 -0.000 0.000 0.206 80 Q C 0.953 176.873 176.000 -0.133 0.000 0.976 80 Q CA 1.516 57.205 55.803 -0.191 0.000 0.875 80 Q CB 0.101 28.779 28.738 -0.100 0.000 0.927 80 Q HN 0.500 nan 8.270 nan 0.000 0.450 81 D N 0.335 120.700 120.400 -0.057 0.000 2.317 81 D HA -0.077 4.563 4.640 -0.000 0.000 0.211 81 D C 0.756 177.141 176.300 0.142 0.000 0.966 81 D CA 0.873 54.911 54.000 0.064 0.000 0.876 81 D CB 0.167 41.062 40.800 0.158 0.000 0.927 81 D HN 0.706 nan 8.370 nan 0.000 0.519 82 Y N -3.050 117.312 120.300 0.102 0.000 2.666 82 Y HA 0.338 4.888 4.550 -0.000 0.000 0.260 82 Y C 1.435 177.409 175.900 0.124 0.000 1.089 82 Y CA -0.305 57.862 58.100 0.111 0.000 1.246 82 Y CB -0.216 38.312 38.460 0.114 0.000 1.353 82 Y HN -0.220 nan 8.280 nan 0.000 0.558 83 V N 1.574 121.343 119.914 -0.243 0.000 2.568 83 V HA -0.240 3.880 4.120 -0.000 0.000 0.253 83 V C 1.630 177.729 176.094 0.007 0.000 1.072 83 V CA 2.818 65.037 62.300 -0.136 0.000 1.084 83 V CB -0.294 31.312 31.823 -0.362 0.000 0.676 83 V HN 0.473 nan 8.190 nan 0.000 0.469 84 D N -0.356 120.041 120.400 -0.005 0.000 2.178 84 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 84 D C 2.116 178.487 176.300 0.118 0.000 0.980 84 D CA 1.588 55.597 54.000 0.015 0.000 0.842 84 D CB -0.089 40.723 40.800 0.021 0.000 0.948 84 D HN 0.467 nan 8.370 nan 0.000 0.472 85 V N 0.766 120.780 119.914 0.167 0.000 2.323 85 V HA -0.202 3.918 4.120 -0.000 0.000 0.244 85 V C 2.617 178.801 176.094 0.150 0.000 1.041 85 V CA 1.395 63.796 62.300 0.167 0.000 1.025 85 V CB -0.530 31.421 31.823 0.213 0.000 0.656 85 V HN 0.162 nan 8.190 nan 0.000 0.451 86 Q N -0.616 119.329 119.800 0.242 0.000 2.096 86 Q HA -0.270 4.070 4.340 -0.000 0.000 0.204 86 Q C 2.157 178.286 176.000 0.216 0.000 0.982 86 Q CA 2.308 58.280 55.803 0.282 0.000 0.850 86 Q CB -0.230 28.768 28.738 0.434 0.000 0.901 86 Q HN 0.626 nan 8.270 nan 0.000 0.422 87 F N 0.460 120.347 119.950 -0.105 0.000 2.084 87 F HA -0.127 4.400 4.527 -0.000 0.000 0.296 87 F C 2.161 177.813 175.800 -0.247 0.000 1.111 87 F CA 1.561 59.279 58.000 -0.470 0.000 1.224 87 F CB -0.537 38.041 39.000 -0.704 0.000 0.991 87 F HN 0.156 nan 8.300 nan 0.000 0.471 88 A N -0.197 122.646 122.820 0.038 0.000 1.917 88 A HA -0.309 4.011 4.320 -0.000 0.000 0.219 88 A C 1.855 179.264 177.584 -0.291 0.000 1.182 88 A CA 2.317 54.256 52.037 -0.164 0.000 0.633 88 A CB -1.386 17.339 19.000 -0.460 0.000 0.819 88 A HN 0.583 nan 8.150 nan 0.000 0.448 89 D N -1.171 119.115 120.400 -0.190 0.000 2.084 89 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 89 D C 2.192 178.452 176.300 -0.066 0.000 0.990 89 D CA 1.584 55.519 54.000 -0.109 0.000 0.826 89 D CB -0.152 40.644 40.800 -0.007 0.000 0.971 89 D HN 0.412 nan 8.370 nan 0.000 0.453 90 R N -0.337 120.146 120.500 -0.027 0.000 2.092 90 R HA -0.073 4.267 4.340 -0.000 0.000 0.231 90 R C 2.175 178.435 176.300 -0.066 0.000 1.119 90 R CA 1.053 57.147 56.100 -0.010 0.000 0.970 90 R CB -0.169 30.259 30.300 0.214 0.000 0.864 90 R HN 0.145 nan 8.270 nan 0.000 0.440 91 V N 0.131 119.915 119.914 -0.215 0.000 2.358 91 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 91 V C 2.098 178.068 176.094 -0.207 0.000 1.047 91 V CA 2.215 64.343 62.300 -0.286 0.000 1.035 91 V CB -0.418 30.974 31.823 -0.719 0.000 0.658 91 V HN 0.448 nan 8.190 nan 0.000 0.452 92 T N 0.410 114.850 114.554 -0.190 0.000 2.788 92 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 92 T C 2.070 176.903 174.700 0.222 0.000 1.044 92 T CA 1.531 63.680 62.100 0.081 0.000 1.139 92 T CB -0.386 68.576 68.868 0.157 0.000 0.867 92 T HN 0.565 nan 8.240 nan 0.000 0.454 93 A N 1.457 124.330 122.820 0.087 0.000 1.877 93 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 93 A C 2.129 179.777 177.584 0.106 0.000 1.186 93 A CA 1.465 53.537 52.037 0.058 0.000 0.620 93 A CB -0.823 18.139 19.000 -0.062 0.000 0.822 93 A HN 0.508 nan 8.150 nan 0.000 0.443 94 H N -2.545 116.624 119.070 0.165 0.000 2.321 94 H HA -0.175 4.381 4.556 -0.000 0.000 0.300 94 H C 1.923 177.503 175.328 0.419 0.000 1.087 94 H CA 1.658 57.846 56.048 0.233 0.000 1.319 94 H CB -0.547 29.312 29.762 0.161 0.000 1.379 94 H HN 0.812 nan 8.280 nan 0.000 0.501 95 W N 2.442 123.970 121.300 0.381 0.000 2.338 95 W HA -0.174 4.486 4.660 -0.000 0.000 0.304 95 W C 2.350 178.920 176.519 0.084 0.000 1.212 95 W CA 1.616 59.019 57.345 0.096 0.000 1.264 95 W CB -0.007 29.397 29.460 -0.095 0.000 1.142 95 W HN 0.007 nan 8.180 nan 0.000 0.512 96 K N -0.128 120.416 120.400 0.240 0.000 2.097 96 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 96 K C 2.090 178.666 176.600 -0.040 0.000 1.049 96 K CA 1.753 58.036 56.287 -0.006 0.000 0.933 96 K CB -0.304 32.274 32.500 0.129 0.000 0.717 96 K HN 0.168 nan 8.250 nan 0.000 0.442 97 R N -0.067 120.470 120.500 0.063 0.000 2.075 97 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 97 R C 2.505 178.833 176.300 0.047 0.000 1.126 97 R CA 1.277 57.416 56.100 0.066 0.000 0.963 97 R CB -0.450 29.917 30.300 0.112 0.000 0.858 97 R HN 0.297 nan 8.270 nan 0.000 0.435 98 G N 0.771 109.609 108.800 0.064 0.000 2.418 98 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 98 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 98 G C 1.383 176.255 174.900 -0.045 0.000 1.158 98 G CA 0.509 45.636 45.100 0.044 0.000 0.771 98 G HN 0.055 nan 8.290 nan 0.000 0.545 99 M N 0.035 119.501 119.600 -0.224 0.000 2.159 99 M HA 0.036 4.516 4.480 -0.000 0.000 0.263 99 M C 2.453 178.760 176.300 0.013 0.000 1.063 99 M CA 0.762 55.955 55.300 -0.178 0.000 1.110 99 M CB -1.058 31.221 32.600 -0.534 0.000 1.374 99 M HN 0.307 nan 8.290 nan 0.000 0.411 100 L N 0.587 121.796 121.223 -0.024 0.000 2.017 100 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 100 L C 2.612 179.444 176.870 -0.064 0.000 1.073 100 L CA 2.335 57.172 54.840 -0.005 0.000 0.745 100 L CB -0.972 41.093 42.059 0.009 0.000 0.894 100 L HN 0.424 nan 8.230 nan 0.000 0.432 101 S N -0.874 114.812 115.700 -0.024 0.000 2.382 101 S HA -0.262 4.208 4.470 -0.000 0.000 0.228 101 S C 2.060 176.645 174.600 -0.025 0.000 1.027 101 S CA 1.288 59.466 58.200 -0.038 0.000 0.991 101 S CB -1.400 61.811 63.200 0.018 0.000 0.823 101 S HN 0.519 nan 8.310 nan 0.000 0.469 102 F N 2.995 122.888 119.950 -0.096 0.000 2.113 102 F HA 0.035 4.562 4.527 -0.000 0.000 0.297 102 F C 2.159 177.887 175.800 -0.120 0.000 1.103 102 F CA 1.183 59.122 58.000 -0.102 0.000 1.248 102 F CB -0.795 38.146 39.000 -0.098 0.000 0.999 102 F HN 0.080 nan 8.300 nan 0.000 0.475 103 V N 0.953 120.578 119.914 -0.481 0.000 2.407 103 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 103 V C 2.818 178.680 176.094 -0.387 0.000 1.055 103 V CA 1.722 63.726 62.300 -0.493 0.000 1.049 103 V CB -1.686 30.112 31.823 -0.042 0.000 0.662 103 V HN 0.522 nan 8.190 nan 0.000 0.455 104 A N -0.808 121.742 122.820 -0.450 0.000 1.898 104 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 104 A C 2.189 179.595 177.584 -0.297 0.000 1.181 104 A CA 1.804 53.454 52.037 -0.645 0.000 0.620 104 A CB -0.439 18.067 19.000 -0.822 0.000 0.819 104 A HN 0.606 nan 8.150 nan 0.000 0.442 105 Q N -1.243 118.407 119.800 -0.250 0.000 2.084 105 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 105 Q C 2.171 178.071 176.000 -0.166 0.000 0.978 105 Q CA 1.566 57.277 55.803 -0.154 0.000 0.844 105 Q CB -0.261 28.423 28.738 -0.090 0.000 0.898 105 Q HN 0.540 nan 8.270 nan 0.000 0.426 106 M N -0.354 119.066 119.600 -0.301 0.000 2.132 106 M HA -0.163 4.317 4.480 -0.000 0.000 0.263 106 M C 2.115 178.332 176.300 -0.138 0.000 1.065 106 M CA 1.544 56.683 55.300 -0.268 0.000 1.122 106 M CB -1.313 30.985 32.600 -0.503 0.000 1.365 106 M HN 0.347 nan 8.290 nan 0.000 0.411 107 H N 0.308 119.272 119.070 -0.177 0.000 2.321 107 H HA -0.155 4.401 4.556 -0.000 0.000 0.300 107 H C 1.658 176.967 175.328 -0.031 0.000 1.087 107 H CA 2.007 58.017 56.048 -0.063 0.000 1.319 107 H CB 0.229 30.037 29.762 0.076 0.000 1.379 107 H HN 0.256 nan 8.280 nan 0.000 0.501 108 E N 0.320 120.503 120.200 -0.028 0.000 2.051 108 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 108 E C 2.670 179.206 176.600 -0.106 0.000 0.991 108 E CA 1.302 57.672 56.400 -0.050 0.000 0.799 108 E CB -0.169 29.537 29.700 0.009 0.000 0.748 108 E HN 0.499 nan 8.360 nan 0.000 0.449 109 M N -0.809 118.737 119.600 -0.091 0.000 2.117 109 M HA -0.164 4.316 4.480 -0.000 0.000 0.262 109 M C 2.018 178.262 176.300 -0.093 0.000 1.065 109 M CA 1.083 56.340 55.300 -0.072 0.000 1.114 109 M CB -0.183 32.388 32.600 -0.048 0.000 1.361 109 M HN 0.182 nan 8.290 nan 0.000 0.408 110 M N -0.213 119.308 119.600 -0.133 0.000 2.159 110 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 110 M C 1.664 177.860 176.300 -0.173 0.000 1.063 110 M CA 1.563 56.778 55.300 -0.141 0.000 1.110 110 M CB -1.560 30.943 32.600 -0.162 0.000 1.374 110 M HN 0.260 nan 8.290 nan 0.000 0.411 111 N N 0.746 119.290 118.700 -0.260 0.000 2.381 111 N HA -0.129 4.611 4.740 -0.000 0.000 0.182 111 N C 0.635 176.076 175.510 -0.116 0.000 1.025 111 N CA 0.995 53.910 53.050 -0.226 0.000 0.888 111 N CB -0.002 38.303 38.487 -0.302 0.000 0.965 111 N HN 0.206 nan 8.380 nan 0.000 0.438 112 D N -0.905 119.439 120.400 -0.094 0.000 2.339 112 D HA 0.064 4.704 4.640 -0.000 0.000 0.217 112 D C -0.291 175.982 176.300 -0.045 0.000 1.050 112 D CA 0.050 54.017 54.000 -0.055 0.000 0.856 112 D CB 0.254 41.029 40.800 -0.042 0.000 0.922 112 D HN -0.051 nan 8.370 nan 0.000 0.518 113 V N 2.069 121.951 119.914 -0.054 0.000 2.529 113 V HA 0.009 4.129 4.120 -0.000 0.000 0.292 113 V C 0.945 177.018 176.094 -0.034 0.000 1.028 113 V CA -0.388 61.888 62.300 -0.040 0.000 1.074 113 V CB 0.674 32.470 31.823 -0.045 0.000 0.958 113 V HN 0.206 nan 8.190 nan 0.000 0.481 114 S N 5.979 121.664 115.700 -0.025 0.000 2.572 114 S HA 0.226 4.696 4.470 -0.000 0.000 0.279 114 S C -1.574 173.013 174.600 -0.022 0.000 1.341 114 S CA -0.900 57.288 58.200 -0.021 0.000 1.043 114 S CB 1.033 64.224 63.200 -0.015 0.000 0.887 114 S HN 0.549 nan 8.310 nan 0.000 0.516 115 P HA -0.100 nan 4.420 nan 0.000 0.216 115 P C 0.776 178.066 177.300 -0.017 0.000 1.153 115 P CA 1.288 64.376 63.100 -0.020 0.000 0.858 115 P CB -0.020 31.669 31.700 -0.017 0.000 0.789 116 D N -0.826 119.565 120.400 -0.014 0.000 2.104 116 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 116 D C 1.650 177.942 176.300 -0.013 0.000 0.994 116 D CA 1.156 55.149 54.000 -0.012 0.000 0.830 116 D CB -0.826 39.968 40.800 -0.010 0.000 0.959 116 D HN 0.171 nan 8.370 nan 0.000 0.452 117 D N -0.154 120.238 120.400 -0.014 0.000 2.144 117 D HA -0.118 4.522 4.640 -0.000 0.000 0.199 117 D C 2.175 178.464 176.300 -0.017 0.000 0.984 117 D CA 0.323 54.315 54.000 -0.014 0.000 0.834 117 D CB -0.160 40.632 40.800 -0.013 0.000 0.955 117 D HN 0.137 nan 8.370 nan 0.000 0.465 118 L N 1.497 122.707 121.223 -0.021 0.000 2.005 118 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 118 L C 1.873 178.730 176.870 -0.023 0.000 1.072 118 L CA 1.967 56.792 54.840 -0.025 0.000 0.744 118 L CB -0.853 41.188 42.059 -0.030 0.000 0.895 118 L HN -0.110 nan 8.230 nan 0.000 0.433 119 D N -0.934 119.454 120.400 -0.020 0.000 2.133 119 D HA -0.305 4.335 4.640 -0.000 0.000 0.195 119 D C 2.371 178.661 176.300 -0.017 0.000 0.997 119 D CA 1.685 55.674 54.000 -0.018 0.000 0.840 119 D CB -0.161 40.630 40.800 -0.015 0.000 0.947 119 D HN 0.354 nan 8.370 nan 0.000 0.452 120 R N -0.213 120.278 120.500 -0.015 0.000 2.066 120 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 120 R C 2.174 178.464 176.300 -0.016 0.000 1.131 120 R CA 1.387 57.479 56.100 -0.014 0.000 0.955 120 R CB -0.371 29.923 30.300 -0.011 0.000 0.851 120 R HN 0.151 nan 8.270 nan 0.000 0.432 121 V N 1.464 121.367 119.914 -0.019 0.000 2.407 121 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 121 V C 2.440 178.517 176.094 -0.028 0.000 1.055 121 V CA 1.856 64.141 62.300 -0.024 0.000 1.049 121 V CB -0.532 31.276 31.823 -0.025 0.000 0.662 121 V HN 0.391 nan 8.190 nan 0.000 0.455 122 R N -0.569 119.915 120.500 -0.027 0.000 2.096 122 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 122 R C 2.354 178.640 176.300 -0.024 0.000 1.127 122 R CA 1.876 57.959 56.100 -0.028 0.000 0.968 122 R CB -0.548 29.737 30.300 -0.025 0.000 0.861 122 R HN 0.490 nan 8.270 nan 0.000 0.440 123 T N 0.691 115.233 114.554 -0.020 0.000 2.814 123 T HA -0.048 4.302 4.350 -0.000 0.000 0.254 123 T C 1.376 176.067 174.700 -0.016 0.000 1.037 123 T CA 1.095 63.185 62.100 -0.016 0.000 1.143 123 T CB 0.060 68.921 68.868 -0.013 0.000 0.866 123 T HN 0.358 nan 8.240 nan 0.000 0.431 124 E N 0.272 120.462 120.200 -0.016 0.000 2.452 124 E HA 0.403 4.753 4.350 -0.000 0.000 0.197 124 E C 1.018 177.605 176.600 -0.023 0.000 1.022 124 E CA 0.023 56.413 56.400 -0.016 0.000 0.890 124 E CB 0.440 30.132 29.700 -0.012 0.000 0.918 124 E HN 0.476 nan 8.360 nan 0.000 0.496 125 G N 0.567 109.350 108.800 -0.029 0.000 2.796 125 G HA2 0.152 4.112 3.960 -0.000 0.000 0.571 125 G HA3 0.152 4.112 3.960 -0.000 0.000 0.571 125 G C 0.126 175.003 174.900 -0.039 0.000 1.370 125 G CA -0.541 44.535 45.100 -0.040 0.000 0.856 125 G HN 0.723 nan 8.290 nan 0.000 0.538 126 G N -1.912 106.859 108.800 -0.049 0.000 2.357 126 G HA2 0.503 4.463 3.960 -0.000 0.000 0.643 126 G HA3 0.503 4.463 3.960 -0.000 0.000 0.643 126 G C 0.010 174.893 174.900 -0.029 0.000 1.358 126 G CA 0.729 45.804 45.100 -0.042 0.000 0.986 126 G HN 2.349 nan 8.290 nan 0.000 0.620 127 S N -0.997 114.694 115.700 -0.016 0.000 2.549 127 S HA 0.443 4.913 4.470 -0.000 0.000 0.279 127 S C 1.068 175.673 174.600 0.008 0.000 1.321 127 S CA 0.479 58.682 58.200 0.006 0.000 1.054 127 S CB 1.122 64.335 63.200 0.022 0.000 0.899 127 S HN 1.438 nan 8.310 nan 0.000 0.497 128 L N 5.854 127.085 121.223 0.014 0.000 2.519 128 L HA 0.506 4.846 4.340 -0.000 0.000 0.194 128 L C -0.192 176.686 176.870 0.014 0.000 1.072 128 L CA 0.968 55.811 54.840 0.006 0.000 0.845 128 L CB 0.609 42.666 42.059 -0.004 0.000 1.138 128 L HN 0.699 nan 8.230 nan 0.000 0.487 129 V N -2.210 117.723 119.914 0.033 0.000 2.888 129 V HA 0.643 4.763 4.120 -0.000 0.000 0.309 129 V C -1.092 175.045 176.094 0.071 0.000 1.114 129 V CA -0.588 61.735 62.300 0.038 0.000 0.940 129 V CB 1.748 33.584 31.823 0.022 0.000 1.021 129 V HN 0.243 nan 8.190 nan 0.000 0.426 130 E N 2.637 122.878 120.200 0.068 0.000 2.275 130 E HA 0.621 4.971 4.350 -0.000 0.000 0.270 130 E C -2.112 174.540 176.600 0.086 0.000 0.882 130 E CA -0.908 55.548 56.400 0.094 0.000 0.758 130 E CB 2.438 32.191 29.700 0.089 0.000 1.195 130 E HN 0.888 nan 8.360 nan 0.000 0.419 131 L N 4.924 126.215 121.223 0.114 0.000 2.287 131 L HA 0.414 4.754 4.340 -0.000 0.000 0.287 131 L C -0.603 176.348 176.870 0.135 0.000 1.022 131 L CA -0.543 54.362 54.840 0.108 0.000 0.814 131 L CB 1.222 43.357 42.059 0.128 0.000 1.217 131 L HN 0.486 nan 8.230 nan 0.000 0.420 132 N N 5.111 123.864 118.700 0.088 0.000 2.414 132 N HA -0.130 4.610 4.740 -0.000 0.000 0.268 132 N C 1.010 176.572 175.510 0.087 0.000 1.286 132 N CA 0.205 53.292 53.050 0.062 0.000 0.896 132 N CB 0.401 38.874 38.487 -0.024 0.000 1.093 132 N HN 0.831 nan 8.380 nan 0.000 0.480 133 W N 5.055 126.364 121.300 0.016 0.000 2.421 133 W HA -0.105 4.555 4.660 0.000 0.000 0.270 133 W C 0.560 177.077 176.519 -0.003 0.000 1.233 133 W CA 0.148 57.493 57.345 0.000 0.000 1.226 133 W CB -0.648 28.801 29.460 -0.020 0.000 1.121 133 W HN 0.444 nan 8.180 nan 0.000 0.579 134 L N 1.155 122.006 121.223 -0.620 0.000 2.549 134 L HA -0.109 4.230 4.340 -0.000 0.000 0.229 134 L C 2.280 179.015 176.870 -0.226 0.000 1.158 134 L CA 1.076 55.545 54.840 -0.619 0.000 0.842 134 L CB -0.620 41.030 42.059 -0.682 0.000 0.952 134 L HN 0.068 nan 8.230 nan 0.000 0.452 135 Q N -0.658 119.081 119.800 -0.102 0.000 2.319 135 Q HA 0.130 4.470 4.340 -0.000 0.000 0.202 135 Q C 0.014 176.035 176.000 0.035 0.000 0.896 135 Q CA -0.143 55.643 55.803 -0.029 0.000 0.942 135 Q CB 0.901 29.630 28.738 -0.015 0.000 1.083 135 Q HN 0.239 nan 8.270 nan 0.000 0.510 136 V N 2.606 122.565 119.914 0.074 0.000 2.408 136 V HA -0.006 4.114 4.120 -0.000 0.000 0.267 136 V C 0.186 176.343 176.094 0.105 0.000 1.047 136 V CA -0.263 62.106 62.300 0.115 0.000 0.937 136 V CB 0.852 32.748 31.823 0.122 0.000 0.999 136 V HN 0.320 nan 8.190 nan 0.000 0.472 137 D N 5.427 125.888 120.400 0.102 0.000 2.720 137 D HA -0.169 4.471 4.640 -0.000 0.000 0.229 137 D C -1.350 175.015 176.300 0.109 0.000 1.198 137 D CA 0.558 54.626 54.000 0.113 0.000 0.639 137 D CB -0.057 40.837 40.800 0.157 0.000 1.003 137 D HN 0.443 nan 8.370 nan 0.000 0.411 138 P HA -0.160 nan 4.420 nan 0.000 0.216 138 P C 0.778 178.104 177.300 0.044 0.000 1.154 138 P CA 1.218 64.342 63.100 0.041 0.000 0.865 138 P CB 0.125 31.830 31.700 0.008 0.000 0.789 139 N N -1.143 117.582 118.700 0.042 0.000 2.268 139 N HA 0.040 4.780 4.740 -0.000 0.000 0.204 139 N C 0.377 175.891 175.510 0.007 0.000 1.124 139 N CA 0.217 53.285 53.050 0.029 0.000 0.838 139 N CB -0.136 38.364 38.487 0.023 0.000 0.994 139 N HN 0.258 nan 8.380 nan 0.000 0.489 140 S N 0.303 116.015 115.700 0.022 0.000 2.681 140 S HA 0.208 4.678 4.470 -0.000 0.000 0.270 140 S C 1.582 176.080 174.600 -0.171 0.000 1.209 140 S CA -0.733 57.433 58.200 -0.056 0.000 0.988 140 S CB 0.914 64.179 63.200 0.107 0.000 1.006 140 S HN 0.225 nan 8.310 nan 0.000 0.558 141 M N -0.845 118.478 119.600 -0.462 0.000 2.539 141 M HA 0.143 4.623 4.480 -0.000 0.000 0.261 141 M C 0.539 176.562 176.300 -0.461 0.000 1.069 141 M CA 1.478 56.472 55.300 -0.511 0.000 1.081 141 M CB -0.913 31.251 32.600 -0.726 0.000 1.412 141 M HN 0.589 nan 8.290 nan 0.000 0.482 142 F N 0.047 120.030 119.950 0.055 0.000 2.698 142 F HA 0.256 4.783 4.527 0.000 0.000 0.295 142 F C 2.157 178.042 175.800 0.142 0.000 1.124 142 F CA -0.035 58.044 58.000 0.132 0.000 1.426 142 F CB 0.092 39.198 39.000 0.177 0.000 1.120 142 F HN 0.069 nan 8.300 nan 0.000 0.583 143 R N -1.042 119.586 120.500 0.214 0.000 2.507 143 R HA 0.222 4.562 4.340 -0.000 0.000 0.230 143 R C 0.318 176.667 176.300 0.083 0.000 0.897 143 R CA 0.235 56.439 56.100 0.173 0.000 1.006 143 R CB 0.305 30.708 30.300 0.172 0.000 1.341 143 R HN 0.035 nan 8.270 nan 0.000 0.604 144 S N 1.530 117.252 115.700 0.037 0.000 2.451 144 S HA 0.283 4.753 4.470 -0.000 0.000 0.301 144 S C 1.385 175.945 174.600 -0.067 0.000 1.116 144 S CA -0.704 57.495 58.200 -0.001 0.000 1.093 144 S CB 0.941 64.161 63.200 0.034 0.000 1.017 144 S HN 0.275 nan 8.310 nan 0.000 0.482 145 I N 2.090 122.551 120.570 -0.182 0.000 2.916 145 I HA 0.019 4.189 4.170 -0.000 0.000 0.267 145 I C 0.810 176.715 176.117 -0.353 0.000 1.263 145 I CA 0.994 62.134 61.300 -0.267 0.000 1.471 145 I CB -0.407 37.386 38.000 -0.345 0.000 1.089 145 I HN 0.635 nan 8.210 nan 0.000 0.468 146 H N 0.738 119.805 119.070 -0.004 0.000 2.586 146 H HA 0.398 4.954 4.556 -0.000 0.000 0.273 146 H C 0.440 175.749 175.328 -0.031 0.000 0.997 146 H CA -0.081 55.958 56.048 -0.014 0.000 1.177 146 H CB 0.353 30.106 29.762 -0.016 0.000 1.471 146 H HN 0.327 nan 8.280 nan 0.000 0.538 147 S N 0.127 115.836 115.700 0.016 0.000 2.681 147 S HA 0.495 4.965 4.470 -0.000 0.000 0.299 147 S C 0.178 174.736 174.600 -0.071 0.000 1.113 147 S CA -0.647 57.527 58.200 -0.043 0.000 1.013 147 S CB 2.828 65.975 63.200 -0.089 0.000 1.076 147 S HN 0.292 nan 8.310 nan 0.000 0.534 148 S N 0.635 116.269 115.700 -0.111 0.000 2.588 148 S HA 0.412 4.882 4.470 -0.000 0.000 0.275 148 S C 0.420 174.939 174.600 -0.135 0.000 1.130 148 S CA -0.865 57.293 58.200 -0.069 0.000 0.855 148 S CB 0.564 63.727 63.200 -0.062 0.000 1.116 148 S HN 0.939 nan 8.310 nan 0.000 0.472 149 W N 2.450 123.638 121.300 -0.186 0.000 2.364 149 W HA -0.045 4.615 4.660 0.000 0.000 0.281 149 W C 1.095 177.618 176.519 0.008 0.000 1.219 149 W CA 1.830 59.055 57.345 -0.201 0.000 1.220 149 W CB -2.016 27.269 29.460 -0.292 0.000 1.127 149 W HN 0.798 nan 8.180 nan 0.000 0.556 150 T N -1.328 112.767 114.554 -0.765 0.000 3.148 150 T HA -0.022 4.328 4.350 -0.000 0.000 0.253 150 T C 0.276 174.807 174.700 -0.281 0.000 1.134 150 T CA 0.142 61.792 62.100 -0.749 0.000 1.051 150 T CB -0.428 67.929 68.868 -0.851 0.000 0.959 150 T HN -0.196 nan 8.240 nan 0.000 0.525 151 D N 3.103 123.416 120.400 -0.144 0.000 2.368 151 D HA 0.272 4.912 4.640 -0.000 0.000 0.240 151 D C -2.356 173.980 176.300 0.060 0.000 1.169 151 D CA -1.725 52.242 54.000 -0.055 0.000 0.906 151 D CB 0.373 41.127 40.800 -0.076 0.000 1.187 151 D HN 0.149 nan 8.370 nan 0.000 0.435 152 P HA 0.052 nan 4.420 nan 0.000 0.267 152 P C -0.373 176.998 177.300 0.119 0.000 1.200 152 P CA 0.065 63.191 63.100 0.043 0.000 0.772 152 P CB 0.511 32.222 31.700 0.019 0.000 0.855 153 L N 2.532 123.764 121.223 0.014 0.000 2.290 153 L HA 0.203 4.543 4.340 -0.000 0.000 0.284 153 L C 1.153 178.043 176.870 0.033 0.000 1.078 153 L CA -0.383 54.437 54.840 -0.034 0.000 0.815 153 L CB 0.405 42.380 42.059 -0.140 0.000 1.162 153 L HN 0.437 nan 8.230 nan 0.000 0.435 154 Q N 2.456 122.303 119.800 0.077 0.000 2.315 154 Q HA 0.067 4.407 4.340 -0.000 0.000 0.289 154 Q C -0.854 175.171 176.000 0.041 0.000 1.044 154 Q CA -0.380 55.461 55.803 0.064 0.000 0.920 154 Q CB 0.984 29.770 28.738 0.080 0.000 1.214 154 Q HN 0.433 nan 8.270 nan 0.000 0.392 155 V N 5.531 125.466 119.914 0.035 0.000 2.439 155 V HA 0.145 4.265 4.120 -0.000 0.000 0.271 155 V C -0.272 175.843 176.094 0.035 0.000 1.040 155 V CA -0.140 62.179 62.300 0.030 0.000 1.002 155 V CB 0.869 32.708 31.823 0.027 0.000 1.000 155 V HN 0.574 nan 8.190 nan 0.000 0.477 156 V N 4.952 124.888 119.914 0.037 0.000 2.447 156 V HA 0.379 4.499 4.120 -0.000 0.000 0.292 156 V C -0.449 175.670 176.094 0.041 0.000 1.021 156 V CA -0.921 61.404 62.300 0.042 0.000 0.850 156 V CB 1.785 33.637 31.823 0.047 0.000 1.005 156 V HN 0.761 nan 8.190 nan 0.000 0.426 157 D N 3.440 123.864 120.400 0.041 0.000 2.304 157 D HA 0.235 4.875 4.640 -0.000 0.000 0.247 157 D C 0.199 176.524 176.300 0.043 0.000 1.089 157 D CA 0.119 54.141 54.000 0.038 0.000 0.910 157 D CB 1.046 41.866 40.800 0.033 0.000 1.199 157 D HN 0.677 nan 8.370 nan 0.000 0.426 158 D N 0.976 121.399 120.400 0.038 0.000 2.689 158 D HA -0.198 4.442 4.640 -0.000 0.000 0.237 158 D C 1.350 177.681 176.300 0.051 0.000 1.148 158 D CA 0.141 54.164 54.000 0.039 0.000 0.656 158 D CB -0.929 39.892 40.800 0.035 0.000 1.050 158 D HN 0.285 nan 8.370 nan 0.000 0.426 159 L N 0.767 122.021 121.223 0.051 0.000 1.990 159 L HA -0.200 4.140 4.340 -0.000 0.000 0.213 159 L C 1.768 178.675 176.870 0.061 0.000 1.072 159 L CA 2.140 57.015 54.840 0.058 0.000 0.755 159 L CB -0.177 41.911 42.059 0.049 0.000 0.889 159 L HN -0.026 nan 8.230 nan 0.000 0.432 160 D N -1.241 119.186 120.400 0.045 0.000 2.178 160 D HA -0.143 4.497 4.640 -0.000 0.000 0.202 160 D C 2.077 178.414 176.300 0.061 0.000 0.974 160 D CA 1.678 55.702 54.000 0.040 0.000 0.841 160 D CB -0.204 40.607 40.800 0.018 0.000 0.953 160 D HN 0.414 nan 8.370 nan 0.000 0.478 161 T N 0.993 115.579 114.554 0.053 0.000 2.746 161 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 161 T C 1.917 176.651 174.700 0.057 0.000 1.039 161 T CA 1.094 63.222 62.100 0.047 0.000 1.142 161 T CB 0.027 68.912 68.868 0.029 0.000 0.866 161 T HN 0.177 nan 8.240 nan 0.000 0.444 162 K N 0.625 121.077 120.400 0.086 0.000 2.057 162 K HA 0.060 4.380 4.320 -0.000 0.000 0.207 162 K C 2.262 179.012 176.600 0.250 0.000 1.049 162 K CA 0.949 57.327 56.287 0.152 0.000 0.931 162 K CB -0.342 32.290 32.500 0.220 0.000 0.714 162 K HN 0.250 nan 8.250 nan 0.000 0.440 163 L N 0.962 122.314 121.223 0.215 0.000 2.042 163 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 163 L C 2.295 179.356 176.870 0.319 0.000 1.076 163 L CA 1.477 56.482 54.840 0.276 0.000 0.749 163 L CB -0.407 41.767 42.059 0.192 0.000 0.893 163 L HN 0.267 nan 8.230 nan 0.000 0.432 164 D N -0.710 119.824 120.400 0.223 0.000 2.097 164 D HA -0.211 4.429 4.640 -0.000 0.000 0.197 164 D C 2.203 178.606 176.300 0.173 0.000 0.984 164 D CA 1.368 55.504 54.000 0.228 0.000 0.826 164 D CB 0.077 40.965 40.800 0.147 0.000 0.973 164 D HN 0.277 nan 8.370 nan 0.000 0.460 165 Q N -1.144 118.684 119.800 0.046 0.000 2.030 165 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 165 Q C 2.263 178.154 176.000 -0.181 0.000 0.986 165 Q CA 1.535 57.269 55.803 -0.115 0.000 0.843 165 Q CB -0.345 28.221 28.738 -0.286 0.000 0.904 165 Q HN 0.512 nan 8.270 nan 0.000 0.420 166 Y N -0.659 119.608 120.300 -0.055 0.000 2.200 166 Y HA -0.245 4.305 4.550 -0.000 0.000 0.290 166 Y C 2.126 177.998 175.900 -0.046 0.000 1.137 166 Y CA 0.892 58.898 58.100 -0.157 0.000 1.163 166 Y CB -0.304 38.083 38.460 -0.122 0.000 0.988 166 Y HN 0.353 nan 8.280 nan 0.000 0.518 167 W N 0.895 122.188 121.300 -0.013 0.000 2.358 167 W HA -0.219 4.441 4.660 -0.000 0.000 0.303 167 W C 1.630 178.049 176.519 -0.168 0.000 1.208 167 W CA 2.174 59.393 57.345 -0.210 0.000 1.274 167 W CB -0.339 28.876 29.460 -0.409 0.000 1.138 167 W HN 0.047 nan 8.180 nan 0.000 0.515 168 T N 1.110 115.734 114.554 0.118 0.000 2.708 168 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 168 T C 2.055 176.718 174.700 -0.060 0.000 1.037 168 T CA 2.139 64.331 62.100 0.154 0.000 1.146 168 T CB -0.733 68.290 68.868 0.258 0.000 0.865 168 T HN 0.218 nan 8.240 nan 0.000 0.435 169 A N 1.304 124.092 122.820 -0.054 0.000 1.877 169 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 169 A C 2.252 179.810 177.584 -0.044 0.000 1.186 169 A CA 1.372 53.401 52.037 -0.012 0.000 0.620 169 A CB -0.874 18.134 19.000 0.012 0.000 0.822 169 A HN 0.403 nan 8.150 nan 0.000 0.443 170 L N 0.408 121.575 121.223 -0.093 0.000 2.046 170 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 170 L C 1.735 178.322 176.870 -0.471 0.000 1.077 170 L CA 2.547 57.262 54.840 -0.209 0.000 0.747 170 L CB -0.846 41.063 42.059 -0.249 0.000 0.896 170 L HN 0.422 nan 8.230 nan 0.000 0.432 171 N N -1.111 117.075 118.700 -0.856 0.000 2.270 171 N HA -0.067 4.673 4.740 -0.000 0.000 0.181 171 N C 1.798 176.874 175.510 -0.724 0.000 1.016 171 N CA 1.100 53.472 53.050 -1.129 0.000 0.870 171 N CB -0.196 36.936 38.487 -2.258 0.000 0.979 171 N HN 0.315 nan 8.380 nan 0.000 0.431 172 L N -0.061 120.893 121.223 -0.447 0.000 2.093 172 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 172 L C 2.099 178.898 176.870 -0.118 0.000 1.085 172 L CA 0.948 55.714 54.840 -0.123 0.000 0.755 172 L CB -0.268 41.796 42.059 0.009 0.000 0.904 172 L HN 0.266 nan 8.230 nan 0.000 0.435 173 M N -0.629 118.883 119.600 -0.146 0.000 2.117 173 M HA -0.230 4.250 4.480 -0.000 0.000 0.262 173 M C 2.303 178.527 176.300 -0.126 0.000 1.065 173 M CA 1.860 57.092 55.300 -0.114 0.000 1.114 173 M CB -0.329 32.203 32.600 -0.113 0.000 1.361 173 M HN 0.196 nan 8.290 nan 0.000 0.408 174 I N -0.107 120.350 120.570 -0.189 0.000 2.179 174 I HA -0.332 3.838 4.170 -0.000 0.000 0.242 174 I C 2.321 178.361 176.117 -0.127 0.000 1.088 174 I CA 1.335 62.529 61.300 -0.177 0.000 1.357 174 I CB -0.555 37.285 38.000 -0.266 0.000 1.051 174 I HN 0.372 nan 8.210 nan 0.000 0.409 175 D N 0.580 120.908 120.400 -0.120 0.000 2.097 175 D HA -0.169 4.471 4.640 -0.000 0.000 0.195 175 D C 2.273 178.589 176.300 0.025 0.000 0.989 175 D CA 1.920 55.913 54.000 -0.012 0.000 0.827 175 D CB 0.182 41.019 40.800 0.063 0.000 0.966 175 D HN 0.355 nan 8.370 nan 0.000 0.456 176 S N -0.736 114.962 115.700 -0.004 0.000 2.447 176 S HA -0.034 4.436 4.470 -0.000 0.000 0.233 176 S C 1.772 176.364 174.600 -0.013 0.000 1.006 176 S CA 0.726 58.925 58.200 -0.003 0.000 0.957 176 S CB 0.141 63.332 63.200 -0.015 0.000 0.773 176 S HN -0.016 nan 8.310 nan 0.000 0.507 177 S N 0.978 116.661 115.700 -0.029 0.000 2.593 177 S HA 0.240 4.710 4.470 -0.000 0.000 0.236 177 S C -0.563 174.015 174.600 -0.038 0.000 0.991 177 S CA -0.338 57.842 58.200 -0.033 0.000 0.963 177 S CB -0.045 63.129 63.200 -0.043 0.000 0.865 177 S HN 0.436 nan 8.310 nan 0.000 0.488 178 D N 1.853 122.234 120.400 -0.031 0.000 2.686 178 D HA -0.146 4.494 4.640 -0.000 0.000 0.235 178 D C -0.190 176.064 176.300 -0.076 0.000 1.160 178 D CA 0.601 54.573 54.000 -0.046 0.000 0.645 178 D CB -1.321 39.456 40.800 -0.039 0.000 1.039 178 D HN 0.406 nan 8.370 nan 0.000 0.423 179 L N -0.294 120.878 121.223 -0.084 0.000 2.468 179 L HA 0.412 4.752 4.340 -0.000 0.000 0.254 179 L C 1.019 177.819 176.870 -0.117 0.000 1.171 179 L CA -0.634 54.151 54.840 -0.093 0.000 0.809 179 L CB 0.739 42.748 42.059 -0.083 0.000 1.155 179 L HN -0.064 nan 8.230 nan 0.000 0.473 180 I N 2.356 122.864 120.570 -0.104 0.000 2.411 180 I HA 0.344 4.514 4.170 -0.000 0.000 0.284 180 I C -2.418 173.669 176.117 -0.050 0.000 1.012 180 I CA -1.967 59.270 61.300 -0.105 0.000 1.119 180 I CB 1.425 39.342 38.000 -0.139 0.000 1.261 180 I HN 0.256 nan 8.210 nan 0.000 0.448 181 P HA 0.300 nan 4.420 nan 0.000 0.290 181 P C -0.326 176.897 177.300 -0.129 0.000 1.275 181 P CA -0.446 62.466 63.100 -0.313 0.000 0.841 181 P CB 1.474 32.624 31.700 -0.916 0.000 1.042 182 N N 1.150 119.830 118.700 -0.034 0.000 2.235 182 N HA 0.032 4.772 4.740 -0.000 0.000 0.209 182 N C 0.026 175.622 175.510 0.144 0.000 1.122 182 N CA -0.327 52.672 53.050 -0.085 0.000 0.845 182 N CB -0.746 37.628 38.487 -0.187 0.000 1.004 182 N HN 0.362 nan 8.380 nan 0.000 0.499 183 F N -1.834 118.249 119.950 0.221 0.000 2.791 183 F HA 0.567 5.094 4.527 0.000 0.000 0.308 183 F C 0.057 176.059 175.800 0.335 0.000 1.138 183 F CA -1.177 56.985 58.000 0.270 0.000 1.294 183 F CB -0.005 39.198 39.000 0.338 0.000 0.975 183 F HN -0.134 nan 8.300 nan 0.000 0.512 184 M N 2.105 121.822 119.600 0.196 0.000 2.535 184 M HA 0.654 5.134 4.480 -0.000 0.000 0.314 184 M C -1.496 175.032 176.300 0.381 0.000 1.153 184 M CA -0.613 54.851 55.300 0.273 0.000 0.924 184 M CB 2.364 35.020 32.600 0.092 0.000 1.710 184 M HN 0.196 nan 8.290 nan 0.000 0.451 185 M N 2.475 122.308 119.600 0.388 0.000 2.395 185 M HA 0.404 4.884 4.480 -0.000 0.000 0.307 185 M C 0.029 176.536 176.300 0.345 0.000 1.091 185 M CA -0.797 54.690 55.300 0.313 0.000 0.919 185 M CB 2.233 34.908 32.600 0.125 0.000 1.662 185 M HN 0.670 nan 8.290 nan 0.000 0.440 186 R N 0.471 121.070 120.500 0.165 0.000 2.153 186 R HA 0.041 4.381 4.340 -0.000 0.000 0.218 186 R C -0.156 176.016 176.300 -0.213 0.000 1.072 186 R CA 0.941 56.995 56.100 -0.076 0.000 0.990 186 R CB -0.008 30.107 30.300 -0.308 0.000 0.889 186 R HN 0.529 nan 8.270 nan 0.000 0.452 187 D N -1.033 119.147 120.400 -0.367 0.000 2.375 187 D HA 0.119 4.759 4.640 -0.000 0.000 0.241 187 D C -2.191 173.603 176.300 -0.843 0.000 1.361 187 D CA -2.105 51.403 54.000 -0.819 0.000 0.995 187 D CB 1.631 42.012 40.800 -0.698 0.000 1.312 187 D HN -0.147 nan 8.370 nan 0.000 0.576 188 P HA -0.143 nan 4.420 nan 0.000 0.228 188 P C 1.163 177.860 177.300 -1.006 0.000 1.151 188 P CA 0.646 63.130 63.100 -1.027 0.000 0.770 188 P CB 0.169 31.152 31.700 -1.194 0.000 0.786 189 S N -1.003 114.175 115.700 -0.870 0.000 2.419 189 S HA -0.199 4.271 4.470 -0.000 0.000 0.233 189 S C 1.864 176.252 174.600 -0.354 0.000 1.016 189 S CA 0.826 58.822 58.200 -0.340 0.000 0.974 189 S CB -1.548 61.574 63.200 -0.131 0.000 0.786 189 S HN 0.212 nan 8.310 nan 0.000 0.492 190 H N 1.715 120.590 119.070 -0.325 0.000 2.489 190 H HA 0.225 4.781 4.556 -0.000 0.000 0.293 190 H C 2.455 177.621 175.328 -0.269 0.000 1.066 190 H CA 0.919 56.834 56.048 -0.222 0.000 1.305 190 H CB -0.785 28.881 29.762 -0.160 0.000 1.386 190 H HN 0.625 nan 8.280 nan 0.000 0.551 191 A N 0.433 123.032 122.820 -0.368 0.000 1.930 191 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 191 A C 2.206 179.424 177.584 -0.610 0.000 1.175 191 A CA 0.924 52.670 52.037 -0.486 0.000 0.627 191 A CB -0.932 17.659 19.000 -0.681 0.000 0.815 191 A HN 0.334 nan 8.150 nan 0.000 0.443 192 F N -1.225 118.408 119.950 -0.530 0.000 2.335 192 F HA 0.102 4.629 4.527 -0.000 0.000 0.296 192 F C 0.951 176.635 175.800 -0.193 0.000 1.091 192 F CA 0.352 58.018 58.000 -0.556 0.000 1.399 192 F CB 0.294 39.096 39.000 -0.331 0.000 1.067 192 F HN 0.176 nan 8.300 nan 0.000 0.520 193 N N -0.797 117.941 118.700 0.064 0.000 2.616 193 N HA 0.337 5.077 4.740 -0.000 0.000 0.281 193 N C -0.148 175.412 175.510 0.083 0.000 1.145 193 N CA 0.808 53.906 53.050 0.079 0.000 0.919 193 N CB 1.670 40.208 38.487 0.085 0.000 1.509 193 N HN 0.295 nan 8.380 nan 0.000 0.537 194 G N 1.157 109.991 108.800 0.056 0.000 4.220 194 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.197 194 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.197 194 G C -0.157 174.724 174.900 -0.033 0.000 1.518 194 G CA 0.171 45.283 45.100 0.020 0.000 0.955 194 G HN 0.783 nan 8.290 nan 0.000 0.353 195 V N 0.383 120.289 119.914 -0.012 0.000 2.924 195 V HA 0.679 4.799 4.120 -0.000 0.000 0.305 195 V C 0.163 176.270 176.094 0.022 0.000 1.073 195 V CA -0.879 61.420 62.300 -0.002 0.000 1.098 195 V CB 1.293 33.113 31.823 -0.005 0.000 1.000 195 V HN 0.251 nan 8.190 nan 0.000 0.484 196 K N 3.801 124.218 120.400 0.028 0.000 2.249 196 K HA 0.528 4.848 4.320 -0.000 0.000 0.280 196 K C -0.582 176.048 176.600 0.049 0.000 1.033 196 K CA -0.163 56.146 56.287 0.038 0.000 0.946 196 K CB 1.337 33.857 32.500 0.034 0.000 1.005 196 K HN 0.722 nan 8.250 nan 0.000 0.469 197 L N 1.624 122.884 121.223 0.061 0.000 2.295 197 L HA 0.450 4.790 4.340 -0.000 0.000 0.285 197 L C 0.852 177.754 176.870 0.054 0.000 1.035 197 L CA -0.761 54.118 54.840 0.066 0.000 0.806 197 L CB 1.773 43.895 42.059 0.104 0.000 1.214 197 L HN 0.605 nan 8.230 nan 0.000 0.426 198 G N 0.894 109.719 108.800 0.041 0.000 2.417 198 G HA2 0.576 4.535 3.960 -0.000 0.000 0.334 198 G HA3 0.576 4.535 3.960 -0.000 0.000 0.334 198 G C 0.244 175.157 174.900 0.021 0.000 1.150 198 G CA 0.142 45.264 45.100 0.037 0.000 0.923 198 G HN 0.909 nan 8.290 nan 0.000 0.485 199 G N 1.662 110.476 108.800 0.022 0.000 2.614 199 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.303 199 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.303 199 G C 0.866 175.770 174.900 0.006 0.000 1.270 199 G CA 0.754 45.860 45.100 0.010 0.000 0.988 199 G HN 0.626 nan 8.290 nan 0.000 0.551 200 D N 0.826 121.210 120.400 -0.027 0.000 2.265 200 D HA 0.107 4.747 4.640 -0.000 0.000 0.208 200 D C 2.616 178.912 176.300 -0.007 0.000 0.977 200 D CA 1.793 55.766 54.000 -0.045 0.000 0.871 200 D CB -0.644 40.078 40.800 -0.130 0.000 0.925 200 D HN 0.828 nan 8.370 nan 0.000 0.485 201 A N 0.537 123.356 122.820 -0.003 0.000 2.119 201 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 201 A C 2.012 179.687 177.584 0.152 0.000 1.153 201 A CA 0.506 52.603 52.037 0.100 0.000 0.692 201 A CB -0.303 18.724 19.000 0.045 0.000 0.799 201 A HN 0.124 nan 8.150 nan 0.000 0.458 202 R N -0.667 119.895 120.500 0.103 0.000 2.241 202 R HA -0.118 4.222 4.340 -0.000 0.000 0.224 202 R C 1.930 178.291 176.300 0.103 0.000 1.101 202 R CA 1.276 57.433 56.100 0.095 0.000 0.995 202 R CB -0.154 30.186 30.300 0.068 0.000 0.870 202 R HN 0.679 nan 8.270 nan 0.000 0.463 203 Q N 0.672 120.567 119.800 0.159 0.000 2.403 203 Q HA 0.024 4.364 4.340 -0.000 0.000 0.203 203 Q C -0.449 175.584 176.000 0.055 0.000 0.932 203 Q CA 0.128 56.024 55.803 0.156 0.000 0.945 203 Q CB 0.547 29.435 28.738 0.249 0.000 1.045 203 Q HN 0.128 nan 8.270 nan 0.000 0.511 204 T N 2.247 116.811 114.554 0.017 0.000 2.902 204 T HA 0.028 4.378 4.350 -0.000 0.000 0.301 204 T C -0.288 174.046 174.700 -0.611 0.000 1.012 204 T CA 0.334 62.119 62.100 -0.526 0.000 1.151 204 T CB 0.662 69.171 68.868 -0.599 0.000 0.946 204 T HN 0.133 nan 8.240 nan 0.000 0.542 205 Q N 2.946 122.273 119.800 -0.788 0.000 2.394 205 Q HA 0.300 4.640 4.340 -0.000 0.000 0.259 205 Q C -0.982 174.721 176.000 -0.494 0.000 1.021 205 Q CA -0.217 55.306 55.803 -0.466 0.000 0.805 205 Q CB 1.113 29.640 28.738 -0.351 0.000 1.226 205 Q HN 0.617 nan 8.270 nan 0.000 0.476 206 F N 1.209 121.030 119.950 -0.214 0.000 2.404 206 F HA 0.069 4.596 4.527 0.000 0.000 0.358 206 F C 1.707 177.311 175.800 -0.326 0.000 1.120 206 F CA -0.263 57.587 58.000 -0.250 0.000 1.144 206 F CB 1.161 40.025 39.000 -0.227 0.000 1.133 206 F HN 0.473 nan 8.300 nan 0.000 0.495 207 S N 2.728 118.356 115.700 -0.120 0.000 2.496 207 S HA -0.011 4.459 4.470 -0.000 0.000 0.224 207 S C 1.088 175.513 174.600 -0.292 0.000 0.996 207 S CA 0.074 58.174 58.200 -0.166 0.000 0.927 207 S CB -0.363 62.778 63.200 -0.098 0.000 0.774 207 S HN 0.778 nan 8.310 nan 0.000 0.524 208 R N -0.034 120.183 120.500 -0.472 0.000 3.875 208 R HA -0.131 4.209 4.340 -0.000 0.000 0.321 208 R C 0.119 176.173 176.300 -0.410 0.000 1.196 208 R CA 1.050 56.717 56.100 -0.722 0.000 0.868 208 R CB -2.846 26.950 30.300 -0.840 0.000 1.333 208 R HN 0.590 nan 8.270 nan 0.000 0.522 209 T N -1.717 112.662 114.554 -0.291 0.000 2.648 209 T HA 0.614 4.964 4.350 -0.000 0.000 0.304 209 T C -1.662 172.979 174.700 -0.098 0.000 1.312 209 T CA -0.656 61.296 62.100 -0.248 0.000 1.023 209 T CB 1.135 69.930 68.868 -0.121 0.000 1.612 209 T HN 0.149 nan 8.240 nan 0.000 0.487 210 F N 2.683 122.730 119.950 0.162 0.000 2.443 210 F HA 0.420 4.947 4.527 0.000 0.000 0.369 210 F C -0.159 175.826 175.800 0.309 0.000 1.090 210 F CA -0.962 57.171 58.000 0.222 0.000 1.129 210 F CB 0.950 40.044 39.000 0.157 0.000 1.367 210 F HN 0.565 nan 8.300 nan 0.000 0.465 211 D N -0.654 119.959 120.400 0.355 0.000 2.559 211 D HA 0.166 4.806 4.640 -0.000 0.000 0.250 211 D C 0.417 176.406 176.300 -0.518 0.000 1.135 211 D CA -0.839 53.101 54.000 -0.101 0.000 0.955 211 D CB 1.275 42.012 40.800 -0.105 0.000 1.442 211 D HN 0.164 nan 8.370 nan 0.000 0.471 212 S N -0.535 114.519 115.700 -1.076 0.000 2.607 212 S HA -0.055 4.415 4.470 -0.000 0.000 0.224 212 S C 1.595 175.976 174.600 -0.364 0.000 0.969 212 S CA 0.221 57.879 58.200 -0.904 0.000 0.927 212 S CB -0.319 62.293 63.200 -0.980 0.000 0.772 212 S HN 0.521 nan 8.310 nan 0.000 0.533 213 R N 1.756 122.097 120.500 -0.265 0.000 2.115 213 R HA -0.009 4.331 4.340 -0.000 0.000 0.230 213 R C 0.414 176.653 176.300 -0.103 0.000 1.111 213 R CA 1.361 57.367 56.100 -0.156 0.000 0.976 213 R CB 0.025 30.247 30.300 -0.131 0.000 0.870 213 R HN 0.646 nan 8.270 nan 0.000 0.445 214 S N -1.359 114.292 115.700 -0.080 0.000 2.661 214 S HA 0.287 4.757 4.470 -0.000 0.000 0.285 214 S C -0.578 174.019 174.600 -0.004 0.000 1.138 214 S CA -0.777 57.392 58.200 -0.052 0.000 0.855 214 S CB 1.692 64.847 63.200 -0.075 0.000 1.136 214 S HN 0.191 nan 8.310 nan 0.000 0.484 215 S N 0.650 116.347 115.700 -0.005 0.000 2.506 215 S HA 0.193 4.663 4.470 -0.000 0.000 0.291 215 S C 0.533 175.191 174.600 0.096 0.000 1.230 215 S CA -0.640 57.587 58.200 0.045 0.000 1.107 215 S CB -0.700 62.517 63.200 0.028 0.000 0.942 215 S HN 0.626 nan 8.310 nan 0.000 0.502 216 L N 1.381 122.714 121.223 0.183 0.000 2.592 216 L HA 0.265 4.605 4.340 -0.000 0.000 0.227 216 L C 1.389 178.485 176.870 0.377 0.000 1.127 216 L CA 0.219 55.242 54.840 0.305 0.000 0.884 216 L CB -0.027 42.257 42.059 0.376 0.000 1.065 216 L HN 0.718 nan 8.230 nan 0.000 0.457 217 E N 1.000 121.371 120.200 0.285 0.000 2.194 217 E HA 0.059 4.409 4.350 -0.000 0.000 0.284 217 E C -1.365 175.517 176.600 0.470 0.000 1.035 217 E CA -0.146 56.440 56.400 0.310 0.000 0.836 217 E CB 0.854 30.664 29.700 0.183 0.000 1.070 217 E HN 0.146 nan 8.360 nan 0.000 0.401 218 W N 2.549 123.949 121.300 0.167 0.000 2.937 218 W HA 0.402 5.062 4.660 -0.000 0.000 0.360 218 W C -0.710 175.890 176.519 0.134 0.000 1.215 218 W CA -0.486 56.926 57.345 0.111 0.000 1.183 218 W CB 1.152 30.651 29.460 0.065 0.000 1.458 218 W HN 0.640 nan 8.180 nan 0.000 0.574 219 G N 1.082 109.576 108.800 -0.509 0.000 2.651 219 G HA2 0.388 4.348 3.960 -0.000 0.000 0.260 219 G HA3 0.388 4.348 3.960 -0.000 0.000 0.260 219 G C -1.095 173.682 174.900 -0.206 0.000 1.216 219 G CA -0.496 44.362 45.100 -0.403 0.000 0.913 219 G HN 0.242 nan 8.290 nan 0.000 0.535 220 V N 1.352 121.089 119.914 -0.296 0.000 2.455 220 V HA 0.228 4.348 4.120 -0.000 0.000 0.273 220 V C 0.475 176.397 176.094 -0.286 0.000 1.045 220 V CA 0.269 62.475 62.300 -0.156 0.000 0.976 220 V CB 0.730 32.545 31.823 -0.013 0.000 0.993 220 V HN 0.546 nan 8.190 nan 0.000 0.475 221 M N 6.716 126.251 119.600 -0.108 0.000 2.238 221 M HA 0.704 5.184 4.480 -0.000 0.000 0.350 221 M C -0.553 175.701 176.300 -0.077 0.000 1.138 221 M CA -0.555 54.692 55.300 -0.088 0.000 1.040 221 M CB 1.706 34.346 32.600 0.068 0.000 1.639 221 M HN 0.585 nan 8.290 nan 0.000 0.451 222 V N -0.084 119.759 119.914 -0.117 0.000 3.202 222 V HA 0.574 4.694 4.120 -0.000 0.000 0.306 222 V C -1.425 174.560 176.094 -0.181 0.000 1.283 222 V CA -1.098 61.160 62.300 -0.069 0.000 1.065 222 V CB 1.612 33.450 31.823 0.024 0.000 1.079 222 V HN 0.710 nan 8.190 nan 0.000 0.448 223 Y N 0.506 120.713 120.300 -0.154 0.000 2.336 223 Y HA 0.472 5.022 4.550 0.000 0.000 0.331 223 Y C 0.545 176.273 175.900 -0.287 0.000 1.211 223 Y CA 0.614 58.550 58.100 -0.273 0.000 1.346 223 Y CB 0.815 38.894 38.460 -0.635 0.000 1.271 223 Y HN 0.835 nan 8.280 nan 0.000 0.538 224 D N 2.688 123.119 120.400 0.051 0.000 2.456 224 D HA 0.068 4.708 4.640 -0.000 0.000 0.219 224 D C -0.604 175.822 176.300 0.210 0.000 1.126 224 D CA 0.037 54.094 54.000 0.094 0.000 0.890 224 D CB -0.236 40.636 40.800 0.121 0.000 1.025 224 D HN 0.589 nan 8.370 nan 0.000 0.511 225 Y N 1.933 122.258 120.300 0.041 0.000 2.537 225 Y HA 0.026 4.576 4.550 0.000 0.000 0.303 225 Y C 2.187 178.016 175.900 -0.118 0.000 1.176 225 Y CA -0.693 57.305 58.100 -0.169 0.000 1.273 225 Y CB 0.523 38.875 38.460 -0.179 0.000 1.110 225 Y HN 0.312 nan 8.280 nan 0.000 0.518 226 S N 0.601 116.396 115.700 0.159 0.000 2.365 226 S HA -0.286 4.184 4.470 -0.000 0.000 0.225 226 S C 1.944 176.651 174.600 0.178 0.000 1.039 226 S CA 1.789 60.091 58.200 0.169 0.000 1.033 226 S CB -0.159 63.153 63.200 0.186 0.000 0.887 226 S HN 0.623 nan 8.310 nan 0.000 0.447 227 E N 0.307 120.619 120.200 0.187 0.000 2.110 227 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 227 E C 2.085 178.755 176.600 0.117 0.000 0.988 227 E CA 0.895 57.422 56.400 0.211 0.000 0.804 227 E CB -0.146 29.747 29.700 0.323 0.000 0.745 227 E HN 0.350 nan 8.360 nan 0.000 0.458 228 L N 1.491 122.666 121.223 -0.081 0.000 2.056 228 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 228 L C 1.814 178.585 176.870 -0.166 0.000 1.078 228 L CA 1.854 56.575 54.840 -0.199 0.000 0.749 228 L CB -0.336 41.357 42.059 -0.610 0.000 0.901 228 L HN 0.103 nan 8.230 nan 0.000 0.433 229 E N -1.105 118.974 120.200 -0.202 0.000 2.118 229 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 229 E C 1.167 177.506 176.600 -0.435 0.000 0.992 229 E CA 1.392 57.587 56.400 -0.340 0.000 0.804 229 E CB -0.176 29.243 29.700 -0.468 0.000 0.741 229 E HN 0.668 nan 8.360 nan 0.000 0.458 230 H N -0.426 118.643 119.070 -0.002 0.000 2.542 230 H HA 0.112 4.668 4.556 -0.000 0.000 0.283 230 H C -0.115 175.211 175.328 -0.002 0.000 1.059 230 H CA -0.059 55.991 56.048 0.003 0.000 1.162 230 H CB 0.259 30.031 29.762 0.017 0.000 1.539 230 H HN 0.019 nan 8.280 nan 0.000 0.543 231 D N 3.284 123.713 120.400 0.048 0.000 2.336 231 D HA 0.032 4.672 4.640 -0.000 0.000 0.249 231 D C -1.317 174.969 176.300 -0.023 0.000 1.213 231 D CA -1.782 52.226 54.000 0.014 0.000 0.870 231 D CB 1.888 42.678 40.800 -0.017 0.000 1.076 231 D HN 0.128 nan 8.370 nan 0.000 0.483 232 P HA -0.095 nan 4.420 nan 0.000 0.230 232 P C 0.835 178.106 177.300 -0.049 0.000 1.158 232 P CA 0.529 63.618 63.100 -0.018 0.000 0.769 232 P CB 0.247 31.946 31.700 -0.002 0.000 0.807 233 S N -1.402 114.249 115.700 -0.082 0.000 2.556 233 S HA 0.166 4.636 4.470 -0.000 0.000 0.216 233 S C 0.919 175.374 174.600 -0.241 0.000 0.970 233 S CA -0.254 57.874 58.200 -0.120 0.000 0.912 233 S CB -0.355 62.778 63.200 -0.111 0.000 0.790 233 S HN 0.069 nan 8.310 nan 0.000 0.504 234 K N 1.904 122.140 120.400 -0.273 0.000 2.877 234 K HA 0.384 4.704 4.320 -0.000 0.000 0.176 234 K C 0.585 177.102 176.600 -0.138 0.000 1.075 234 K CA -0.410 55.599 56.287 -0.463 0.000 0.939 234 K CB 0.948 33.048 32.500 -0.667 0.000 1.237 234 K HN 0.350 nan 8.250 nan 0.000 0.607 235 G N 0.539 109.313 108.800 -0.043 0.000 2.504 235 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.257 235 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.257 235 G C 0.900 175.820 174.900 0.033 0.000 1.451 235 G CA -0.094 45.001 45.100 -0.007 0.000 1.059 235 G HN 0.309 nan 8.290 nan 0.000 0.550 236 R N -0.495 120.007 120.500 0.005 0.000 2.083 236 R HA -0.069 4.271 4.340 -0.000 0.000 0.237 236 R C 2.718 179.019 176.300 0.002 0.000 1.137 236 R CA 2.403 58.498 56.100 -0.008 0.000 0.951 236 R CB -1.126 29.163 30.300 -0.018 0.000 0.851 236 R HN 0.449 nan 8.270 nan 0.000 0.434 237 A N -0.705 122.127 122.820 0.020 0.000 1.933 237 A HA -0.194 4.125 4.320 -0.000 0.000 0.218 237 A C 2.218 179.817 177.584 0.024 0.000 1.175 237 A CA 1.549 53.595 52.037 0.016 0.000 0.628 237 A CB -0.978 18.037 19.000 0.025 0.000 0.814 237 A HN 0.611 nan 8.150 nan 0.000 0.444 238 Y N 0.461 120.725 120.300 -0.060 0.000 2.181 238 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 238 Y C 2.470 178.302 175.900 -0.113 0.000 1.146 238 Y CA 2.069 60.129 58.100 -0.067 0.000 1.164 238 Y CB -0.239 38.189 38.460 -0.053 0.000 0.982 238 Y HN 0.248 nan 8.280 nan 0.000 0.515 239 R N 0.303 120.797 120.500 -0.009 0.000 2.096 239 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 239 R C 2.229 178.381 176.300 -0.246 0.000 1.127 239 R CA 1.824 57.815 56.100 -0.182 0.000 0.968 239 R CB -0.188 30.041 30.300 -0.118 0.000 0.861 239 R HN 0.322 nan 8.270 nan 0.000 0.440 240 K N 0.404 120.710 120.400 -0.157 0.000 2.097 240 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 240 K C 2.058 178.564 176.600 -0.157 0.000 1.050 240 K CA 1.310 57.518 56.287 -0.133 0.000 0.938 240 K CB 0.005 32.460 32.500 -0.075 0.000 0.718 240 K HN 0.246 nan 8.250 nan 0.000 0.442 241 E N 0.359 120.447 120.200 -0.187 0.000 2.106 241 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 241 E C 1.495 177.945 176.600 -0.251 0.000 0.984 241 E CA 0.996 57.284 56.400 -0.187 0.000 0.806 241 E CB 0.280 29.878 29.700 -0.171 0.000 0.750 241 E HN 0.102 nan 8.360 nan 0.000 0.458 242 L N -1.094 119.886 121.223 -0.406 0.000 2.694 242 L HA 0.104 4.444 4.340 -0.000 0.000 0.228 242 L C 1.766 178.340 176.870 -0.492 0.000 1.048 242 L CA 0.235 54.831 54.840 -0.408 0.000 0.887 242 L CB 0.904 42.647 42.059 -0.527 0.000 1.265 242 L HN -0.018 nan 8.230 nan 0.000 0.492 243 V N -1.577 117.924 119.914 -0.690 0.000 2.535 243 V HA -0.013 4.107 4.120 -0.000 0.000 0.246 243 V C 1.316 177.103 176.094 -0.512 0.000 1.045 243 V CA 1.022 62.757 62.300 -0.942 0.000 1.058 243 V CB -0.535 30.680 31.823 -1.013 0.000 0.689 243 V HN 0.390 nan 8.190 nan 0.000 0.461 244 T N 1.204 115.563 114.554 -0.326 0.000 2.946 244 T HA 0.040 4.390 4.350 -0.000 0.000 0.311 244 T C -1.163 173.476 174.700 -0.102 0.000 1.063 244 T CA -0.876 61.110 62.100 -0.190 0.000 1.139 244 T CB 1.084 69.864 68.868 -0.146 0.000 0.994 244 T HN 0.133 nan 8.240 nan 0.000 0.547 245 P HA -0.180 nan 4.420 nan 0.000 0.218 245 P C 1.297 178.731 177.300 0.222 0.000 1.154 245 P CA 1.655 64.877 63.100 0.203 0.000 0.872 245 P CB -0.063 31.681 31.700 0.074 0.000 0.790 246 A N -0.581 122.251 122.820 0.021 0.000 2.032 246 A HA -0.249 4.071 4.320 -0.000 0.000 0.221 246 A C 2.140 179.649 177.584 -0.126 0.000 1.165 246 A CA 1.503 53.472 52.037 -0.113 0.000 0.645 246 A CB -0.803 17.936 19.000 -0.436 0.000 0.807 246 A HN 0.037 nan 8.150 nan 0.000 0.453 247 R N 0.091 120.533 120.500 -0.098 0.000 2.075 247 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 247 R C 1.091 177.349 176.300 -0.070 0.000 1.126 247 R CA 1.589 57.632 56.100 -0.094 0.000 0.963 247 R CB -0.804 29.428 30.300 -0.114 0.000 0.858 247 R HN 0.526 nan 8.270 nan 0.000 0.435 248 D N -0.736 119.618 120.400 -0.076 0.000 2.262 248 D HA 0.037 4.677 4.640 -0.000 0.000 0.212 248 D C 1.440 177.587 176.300 -0.254 0.000 0.964 248 D CA 0.724 54.593 54.000 -0.218 0.000 0.875 248 D CB -0.008 40.549 40.800 -0.405 0.000 0.996 248 D HN 0.152 nan 8.370 nan 0.000 0.497 249 F N 0.357 120.316 119.950 0.015 0.000 2.749 249 F HA 0.347 4.874 4.527 0.000 0.000 0.300 249 F C 1.396 177.328 175.800 0.221 0.000 1.103 249 F CA 0.271 58.333 58.000 0.104 0.000 1.342 249 F CB 0.527 39.633 39.000 0.176 0.000 1.098 249 F HN -0.096 nan 8.300 nan 0.000 0.586 250 G N 0.110 109.072 108.800 0.270 0.000 2.712 250 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.686 250 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.686 250 G C -0.873 174.089 174.900 0.103 0.000 1.321 250 G CA -1.128 44.083 45.100 0.185 0.000 0.813 250 G HN 0.345 nan 8.290 nan 0.000 0.599 251 H N 0.120 119.281 119.070 0.151 0.000 3.034 251 H HA 0.244 4.800 4.556 -0.000 0.000 0.324 251 H C 1.238 176.656 175.328 0.152 0.000 1.015 251 H CA 0.899 57.026 56.048 0.131 0.000 1.429 251 H CB 0.417 30.224 29.762 0.075 0.000 1.429 251 H HN 0.563 nan 8.280 nan 0.000 0.585 252 F N 2.646 122.657 119.950 0.101 0.000 2.087 252 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 252 F C 2.313 178.134 175.800 0.036 0.000 1.100 252 F CA 2.131 60.156 58.000 0.041 0.000 1.226 252 F CB -0.477 38.502 39.000 -0.036 0.000 0.983 252 F HN 0.662 nan 8.300 nan 0.000 0.479 253 G N -0.827 108.002 108.800 0.048 0.000 2.848 253 G HA2 0.008 3.968 3.960 -0.000 0.000 0.208 253 G HA3 0.008 3.968 3.960 -0.000 0.000 0.208 253 G C 0.503 175.334 174.900 -0.114 0.000 1.152 253 G CA 0.333 45.377 45.100 -0.095 0.000 0.789 253 G HN 0.297 nan 8.290 nan 0.000 0.531 254 L N 0.738 121.926 121.223 -0.058 0.000 3.025 254 L HA 0.542 4.882 4.340 -0.000 0.000 0.307 254 L C -0.228 176.597 176.870 -0.076 0.000 1.303 254 L CA -0.467 54.334 54.840 -0.066 0.000 0.817 254 L CB 0.772 42.839 42.059 0.012 0.000 1.227 254 L HN 0.009 nan 8.230 nan 0.000 0.571 255 S N -1.901 113.701 115.700 -0.163 0.000 2.536 255 S HA 0.416 4.886 4.470 -0.000 0.000 0.271 255 S C 0.241 174.701 174.600 -0.234 0.000 1.134 255 S CA -0.364 57.758 58.200 -0.129 0.000 0.897 255 S CB 0.829 64.086 63.200 0.095 0.000 1.094 255 S HN 0.473 nan 8.310 nan 0.000 0.473 256 H N 1.850 120.797 119.070 -0.206 0.000 2.563 256 H HA 0.299 4.855 4.556 -0.000 0.000 0.264 256 H C -0.383 174.894 175.328 -0.085 0.000 0.957 256 H CA 0.210 56.153 56.048 -0.174 0.000 1.173 256 H CB 0.148 29.768 29.762 -0.237 0.000 1.420 256 H HN 0.538 nan 8.280 nan 0.000 0.551 257 Y N 0.935 121.357 120.300 0.204 0.000 2.480 257 Y HA 0.012 4.562 4.550 -0.000 0.000 0.338 257 Y C 0.954 176.994 175.900 0.234 0.000 1.220 257 Y CA -0.512 57.719 58.100 0.218 0.000 1.430 257 Y CB 0.663 39.308 38.460 0.309 0.000 1.311 257 Y HN 0.022 nan 8.280 nan 0.000 0.575 258 S N 3.079 118.994 115.700 0.358 0.000 2.592 258 S HA 0.414 4.884 4.470 -0.000 0.000 0.271 258 S C -0.175 174.730 174.600 0.508 0.000 1.326 258 S CA -0.806 57.566 58.200 0.285 0.000 1.024 258 S CB 0.619 63.753 63.200 -0.110 0.000 0.921 258 S HN 0.484 nan 8.310 nan 0.000 0.527 259 R N 0.911 121.691 120.500 0.467 0.000 2.480 259 R HA 0.645 4.985 4.340 -0.000 0.000 0.306 259 R C -0.550 176.071 176.300 0.536 0.000 0.958 259 R CA -0.436 55.851 56.100 0.312 0.000 0.861 259 R CB 1.692 32.035 30.300 0.072 0.000 1.171 259 R HN 0.676 nan 8.270 nan 0.000 0.445 260 A N 1.518 124.661 122.820 0.538 0.000 2.281 260 A HA 0.635 4.955 4.320 -0.000 0.000 0.329 260 A C 0.142 177.968 177.584 0.404 0.000 1.122 260 A CA -0.562 51.732 52.037 0.428 0.000 0.850 260 A CB 1.163 20.275 19.000 0.187 0.000 1.207 260 A HN 0.729 nan 8.150 nan 0.000 0.495 261 T N -1.610 113.173 114.554 0.383 0.000 2.937 261 T HA 0.655 5.005 4.350 -0.000 0.000 0.283 261 T C 0.550 175.422 174.700 0.286 0.000 1.012 261 T CA 0.146 62.510 62.100 0.440 0.000 0.997 261 T CB 0.759 69.929 68.868 0.504 0.000 1.136 261 T HN 1.049 nan 8.240 nan 0.000 0.551 262 T N -0.972 113.754 114.554 0.286 0.000 2.732 262 T HA 0.398 4.748 4.350 -0.000 0.000 0.287 262 T C -2.575 172.215 174.700 0.150 0.000 0.993 262 T CA -1.586 60.604 62.100 0.149 0.000 0.966 262 T CB -0.618 68.309 68.868 0.098 0.000 1.047 262 T HN 0.422 nan 8.240 nan 0.000 0.527 263 P HA 0.255 nan 4.420 nan 0.000 0.244 263 P C 0.629 178.029 177.300 0.166 0.000 1.769 263 P CA -0.256 62.988 63.100 0.240 0.000 1.102 263 P CB -0.368 31.567 31.700 0.391 0.000 1.937 264 I N 0.955 121.571 120.570 0.077 0.000 2.252 264 I HA -0.064 4.106 4.170 -0.000 0.000 0.245 264 I C 1.080 177.174 176.117 -0.038 0.000 1.102 264 I CA 1.450 62.678 61.300 -0.118 0.000 1.385 264 I CB -0.489 37.252 38.000 -0.432 0.000 1.064 264 I HN 0.190 nan 8.210 nan 0.000 0.414 265 L N -1.136 120.122 121.223 0.058 0.000 2.422 265 L HA 0.501 4.841 4.340 -0.000 0.000 0.264 265 L C 0.773 177.744 176.870 0.168 0.000 0.984 265 L CA -0.338 54.514 54.840 0.021 0.000 0.819 265 L CB 1.991 43.873 42.059 -0.296 0.000 1.330 265 L HN 0.302 nan 8.230 nan 0.000 0.410 266 G N 1.346 110.247 108.800 0.169 0.000 2.168 266 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.257 266 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.257 266 G C 0.626 175.772 174.900 0.410 0.000 0.997 266 G CA 0.776 46.106 45.100 0.383 0.000 0.708 266 G HN 0.778 nan 8.290 nan 0.000 0.520 267 K N -2.811 117.819 120.400 0.382 0.000 3.069 267 K HA -0.255 4.065 4.320 -0.000 0.000 0.267 267 K C 0.370 177.291 176.600 0.533 0.000 1.082 267 K CA 1.510 58.047 56.287 0.417 0.000 0.782 267 K CB -0.767 31.829 32.500 0.160 0.000 1.230 267 K HN 0.674 nan 8.250 nan 0.000 0.488 268 M N 0.319 120.188 119.600 0.448 0.000 2.067 268 M HA 0.340 4.820 4.480 -0.000 0.000 0.286 268 M C -2.790 173.774 176.300 0.440 0.000 0.922 268 M CA -2.416 53.099 55.300 0.358 0.000 0.937 268 M CB 1.480 34.079 32.600 -0.001 0.000 1.550 268 M HN -0.293 nan 8.290 nan 0.000 0.433 269 P HA 0.259 nan 4.420 nan 0.000 0.266 269 P C -1.197 176.382 177.300 0.465 0.000 1.195 269 P CA -0.012 63.263 63.100 0.291 0.000 0.768 269 P CB 0.575 32.295 31.700 0.034 0.000 0.838 270 A N 2.823 125.929 122.820 0.476 0.000 2.303 270 A HA 0.579 4.899 4.320 -0.000 0.000 0.317 270 A C -0.711 177.032 177.584 0.265 0.000 1.149 270 A CA -0.465 51.851 52.037 0.464 0.000 0.822 270 A CB 0.708 19.779 19.000 0.119 0.000 1.131 270 A HN 0.351 nan 8.150 nan 0.000 0.493 271 V N 1.956 121.989 119.914 0.198 0.000 2.444 271 V HA 0.444 4.564 4.120 -0.000 0.000 0.294 271 V C -1.197 174.913 176.094 0.026 0.000 1.022 271 V CA -0.172 62.292 62.300 0.274 0.000 0.850 271 V CB 0.996 33.079 31.823 0.432 0.000 0.992 271 V HN 0.715 nan 8.190 nan 0.000 0.426 272 F N 2.715 122.694 119.950 0.048 0.000 2.436 272 F HA 0.506 5.033 4.527 -0.000 0.000 0.340 272 F C 0.994 176.879 175.800 0.140 0.000 1.113 272 F CA -0.413 57.540 58.000 -0.077 0.000 1.022 272 F CB 2.027 40.678 39.000 -0.581 0.000 1.128 272 F HN 0.564 nan 8.300 nan 0.000 0.466 273 S N 1.627 117.526 115.700 0.332 0.000 2.579 273 S HA 0.501 4.971 4.470 -0.000 0.000 0.275 273 S C 0.430 175.207 174.600 0.296 0.000 1.345 273 S CA -0.608 57.761 58.200 0.281 0.000 1.031 273 S CB 0.972 64.327 63.200 0.257 0.000 0.892 273 S HN 0.892 nan 8.310 nan 0.000 0.529 274 G N 0.535 109.460 108.800 0.209 0.000 2.569 274 G HA2 0.299 4.259 3.960 -0.000 0.000 0.249 274 G HA3 0.299 4.259 3.960 -0.000 0.000 0.249 274 G C 0.599 175.467 174.900 -0.053 0.000 1.216 274 G CA -0.697 44.466 45.100 0.105 0.000 0.845 274 G HN 0.873 nan 8.290 nan 0.000 0.568 275 M N 0.945 120.327 119.600 -0.364 0.000 2.202 275 M HA -0.023 4.457 4.480 -0.000 0.000 0.262 275 M C 2.213 178.368 176.300 -0.242 0.000 1.063 275 M CA 1.244 56.314 55.300 -0.383 0.000 1.097 275 M CB -0.139 31.994 32.600 -0.777 0.000 1.382 275 M HN 0.482 nan 8.290 nan 0.000 0.413 276 L N -0.365 120.674 121.223 -0.306 0.000 2.362 276 L HA -0.133 4.207 4.340 -0.000 0.000 0.219 276 L C 2.322 179.111 176.870 -0.135 0.000 1.134 276 L CA 1.433 56.063 54.840 -0.350 0.000 0.807 276 L CB -0.833 40.725 42.059 -0.836 0.000 0.927 276 L HN 0.488 nan 8.230 nan 0.000 0.447 277 T N -3.996 110.566 114.554 0.014 0.000 3.072 277 T HA 0.053 4.403 4.350 -0.000 0.000 0.266 277 T C 1.509 176.250 174.700 0.068 0.000 1.127 277 T CA 0.857 63.033 62.100 0.127 0.000 1.107 277 T CB 0.313 69.261 68.868 0.134 0.000 0.910 277 T HN 0.493 nan 8.240 nan 0.000 0.513 278 G N 0.737 109.551 108.800 0.024 0.000 2.238 278 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 278 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 278 G C -0.111 174.814 174.900 0.042 0.000 0.996 278 G CA -0.093 45.022 45.100 0.025 0.000 0.632 278 G HN 0.684 nan 8.290 nan 0.000 0.503 279 N N -1.201 117.541 118.700 0.069 0.000 2.598 279 N HA 0.397 5.137 4.740 -0.000 0.000 0.263 279 N C -1.373 174.227 175.510 0.150 0.000 1.254 279 N CA -0.064 53.045 53.050 0.098 0.000 0.863 279 N CB 1.637 40.181 38.487 0.094 0.000 1.586 279 N HN 0.110 nan 8.380 nan 0.000 0.491 280 C N 1.734 121.160 119.300 0.210 0.000 2.170 280 C HA 0.330 4.790 4.460 -0.000 0.000 0.339 280 C C 0.388 175.527 174.990 0.248 0.000 1.056 280 C CA -0.779 58.435 59.018 0.326 0.000 1.535 280 C CB -1.127 26.939 27.740 0.543 0.000 1.785 280 C HN 0.246 nan 8.230 nan 0.000 0.440 281 K N 2.514 122.987 120.400 0.121 0.000 2.144 281 K HA 0.478 4.798 4.320 -0.000 0.000 0.270 281 K C -0.364 175.991 176.600 -0.408 0.000 1.005 281 K CA -0.070 56.137 56.287 -0.134 0.000 0.932 281 K CB 1.521 33.938 32.500 -0.138 0.000 1.021 281 K HN 0.632 nan 8.250 nan 0.000 0.462 282 M N 3.308 122.487 119.600 -0.702 0.000 2.311 282 M HA 0.344 4.824 4.480 -0.000 0.000 0.325 282 M C -1.707 174.192 176.300 -0.668 0.000 1.061 282 M CA -0.618 54.155 55.300 -0.877 0.000 0.957 282 M CB 0.901 32.869 32.600 -1.054 0.000 1.646 282 M HN 0.469 nan 8.290 nan 0.000 0.434 283 Y N 4.166 124.448 120.300 -0.029 0.000 2.512 283 Y HA 0.627 5.177 4.550 -0.000 0.000 0.348 283 Y C -2.370 173.677 175.900 0.245 0.000 0.990 283 Y CA -2.050 56.145 58.100 0.157 0.000 1.033 283 Y CB 1.395 39.917 38.460 0.103 0.000 1.259 283 Y HN 0.490 nan 8.280 nan 0.000 0.461 284 P HA 0.048 nan 4.420 nan 0.000 0.279 284 P C -0.588 176.754 177.300 0.069 0.000 1.239 284 P CA -0.149 62.867 63.100 -0.141 0.000 0.789 284 P CB 0.910 32.230 31.700 -0.633 0.000 0.933 285 F N 4.694 124.627 119.950 -0.027 0.000 2.679 285 F HA 0.308 4.835 4.527 -0.000 0.000 0.351 285 F C -0.275 175.510 175.800 -0.025 0.000 1.279 285 F CA -0.523 57.493 58.000 0.027 0.000 1.227 285 F CB -0.876 38.149 39.000 0.042 0.000 1.623 285 F HN 0.113 nan 8.300 nan 0.000 0.666 286 I N 4.356 124.684 120.570 -0.404 0.000 2.465 286 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 286 I C 0.026 175.830 176.117 -0.521 0.000 1.014 286 I CA -1.129 59.874 61.300 -0.494 0.000 1.093 286 I CB 1.830 39.534 38.000 -0.494 0.000 1.267 286 I HN 0.122 nan 8.210 nan 0.000 0.431 287 K N 2.949 123.049 120.400 -0.499 0.000 2.436 287 K HA 0.101 4.421 4.320 -0.000 0.000 0.275 287 K C 1.208 177.585 176.600 -0.372 0.000 0.999 287 K CA 0.286 56.334 56.287 -0.398 0.000 0.980 287 K CB 1.042 33.349 32.500 -0.321 0.000 0.919 287 K HN 0.885 nan 8.250 nan 0.000 0.484 288 G N 1.130 109.749 108.800 -0.302 0.000 2.440 288 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 288 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 288 G C 1.389 176.116 174.900 -0.288 0.000 1.154 288 G CA 1.581 46.508 45.100 -0.288 0.000 0.767 288 G HN 0.782 nan 8.290 nan 0.000 0.552 289 T N -0.640 113.761 114.554 -0.256 0.000 2.833 289 T HA 0.169 4.519 4.350 -0.000 0.000 0.269 289 T C 2.502 177.067 174.700 -0.224 0.000 1.054 289 T CA 1.620 63.578 62.100 -0.237 0.000 1.135 289 T CB -0.275 68.477 68.868 -0.194 0.000 0.869 289 T HN 0.345 nan 8.240 nan 0.000 0.466 290 A N 1.990 124.656 122.820 -0.257 0.000 1.968 290 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 290 A C 2.394 179.826 177.584 -0.254 0.000 1.169 290 A CA 1.143 53.040 52.037 -0.234 0.000 0.638 290 A CB -0.429 18.406 19.000 -0.276 0.000 0.812 290 A HN 0.562 nan 8.150 nan 0.000 0.446 291 K N -0.726 119.414 120.400 -0.433 0.000 2.097 291 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 291 K C 1.805 178.355 176.600 -0.084 0.000 1.050 291 K CA 1.183 57.160 56.287 -0.517 0.000 0.938 291 K CB -0.311 31.695 32.500 -0.823 0.000 0.718 291 K HN 0.369 nan 8.250 nan 0.000 0.442 292 L N 2.113 123.251 121.223 -0.142 0.000 2.131 292 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 292 L C 1.543 178.444 176.870 0.052 0.000 1.092 292 L CA 1.754 56.529 54.840 -0.109 0.000 0.759 292 L CB -0.206 41.627 42.059 -0.378 0.000 0.903 292 L HN -0.011 nan 8.230 nan 0.000 0.435 293 K N -0.887 119.545 120.400 0.053 0.000 2.360 293 K HA -0.138 4.182 4.320 -0.000 0.000 0.201 293 K C 1.816 178.526 176.600 0.183 0.000 1.046 293 K CA 1.510 57.891 56.287 0.157 0.000 0.940 293 K CB -0.406 32.136 32.500 0.069 0.000 0.748 293 K HN 0.646 nan 8.250 nan 0.000 0.465 294 T N -1.345 113.330 114.554 0.202 0.000 2.929 294 T HA -0.081 4.269 4.350 -0.000 0.000 0.271 294 T C 1.683 176.514 174.700 0.220 0.000 1.085 294 T CA 1.163 63.393 62.100 0.217 0.000 1.125 294 T CB -0.331 68.716 68.868 0.298 0.000 0.874 294 T HN 0.129 nan 8.240 nan 0.000 0.494 295 V N -2.127 117.955 119.914 0.280 0.000 3.376 295 V HA 0.483 4.603 4.120 -0.000 0.000 0.313 295 V C 2.185 178.440 176.094 0.268 0.000 1.393 295 V CA -0.322 62.153 62.300 0.292 0.000 1.125 295 V CB -0.602 31.439 31.823 0.363 0.000 1.037 295 V HN 0.291 nan 8.190 nan 0.000 0.440 296 R N 1.469 122.104 120.500 0.225 0.000 2.083 296 R HA -0.135 4.205 4.340 -0.000 0.000 0.237 296 R C 2.221 178.515 176.300 -0.010 0.000 1.137 296 R CA 2.237 58.348 56.100 0.018 0.000 0.951 296 R CB -0.148 30.162 30.300 0.017 0.000 0.851 296 R HN 0.548 nan 8.270 nan 0.000 0.434 297 K N 0.044 120.469 120.400 0.042 0.000 2.148 297 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 297 K C 2.003 178.651 176.600 0.080 0.000 1.050 297 K CA 0.863 57.174 56.287 0.041 0.000 0.942 297 K CB -0.149 32.369 32.500 0.030 0.000 0.724 297 K HN 0.122 nan 8.250 nan 0.000 0.446 298 L N 1.040 122.334 121.223 0.118 0.000 2.093 298 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 298 L C 1.975 178.915 176.870 0.116 0.000 1.085 298 L CA 1.389 56.315 54.840 0.143 0.000 0.755 298 L CB -0.231 41.929 42.059 0.168 0.000 0.904 298 L HN -0.126 nan 8.230 nan 0.000 0.435 299 V N -0.330 119.642 119.914 0.097 0.000 2.343 299 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 299 V C 2.607 178.739 176.094 0.063 0.000 1.051 299 V CA 1.808 64.150 62.300 0.071 0.000 1.036 299 V CB -0.597 31.236 31.823 0.016 0.000 0.654 299 V HN 0.535 nan 8.190 nan 0.000 0.451 300 E N 0.803 121.039 120.200 0.059 0.000 2.077 300 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 300 E C 2.121 178.866 176.600 0.242 0.000 0.989 300 E CA 1.696 58.172 56.400 0.127 0.000 0.800 300 E CB -0.472 29.289 29.700 0.102 0.000 0.746 300 E HN 0.515 nan 8.360 nan 0.000 0.452 301 A N 0.013 122.945 122.820 0.186 0.000 1.902 301 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 301 A C 2.503 180.242 177.584 0.259 0.000 1.181 301 A CA 1.590 53.755 52.037 0.214 0.000 0.623 301 A CB -0.772 18.335 19.000 0.178 0.000 0.818 301 A HN 0.211 nan 8.150 nan 0.000 0.443 302 V N 0.716 120.757 119.914 0.212 0.000 2.343 302 V HA -0.308 3.812 4.120 -0.000 0.000 0.247 302 V C 2.149 178.385 176.094 0.236 0.000 1.051 302 V CA 2.316 64.757 62.300 0.234 0.000 1.036 302 V CB -1.138 30.705 31.823 0.033 0.000 0.654 302 V HN 0.659 nan 8.190 nan 0.000 0.451 303 N N -0.931 117.849 118.700 0.132 0.000 2.205 303 N HA -0.192 4.548 4.740 -0.000 0.000 0.186 303 N C 1.697 177.192 175.510 -0.025 0.000 1.015 303 N CA 1.273 54.343 53.050 0.034 0.000 0.862 303 N CB -0.146 38.306 38.487 -0.057 0.000 0.986 303 N HN 0.617 nan 8.380 nan 0.000 0.429 304 H N -1.024 118.115 119.070 0.114 0.000 2.525 304 H HA 0.254 4.810 4.556 -0.000 0.000 0.275 304 H C 1.652 177.038 175.328 0.096 0.000 0.984 304 H CA 0.934 57.036 56.048 0.090 0.000 1.264 304 H CB 0.354 30.157 29.762 0.068 0.000 1.432 304 H HN 0.212 nan 8.280 nan 0.000 0.549 305 A N -0.574 122.399 122.820 0.256 0.000 2.063 305 A HA 0.114 4.434 4.320 -0.000 0.000 0.211 305 A C -0.229 177.367 177.584 0.021 0.000 1.177 305 A CA -0.034 52.085 52.037 0.137 0.000 0.759 305 A CB 0.099 19.194 19.000 0.157 0.000 0.857 305 A HN 0.231 nan 8.150 nan 0.000 0.468 306 W N -0.370 120.957 121.300 0.046 0.000 2.627 306 W HA 0.577 5.237 4.660 0.000 0.000 0.339 306 W C 0.740 177.270 176.519 0.017 0.000 1.058 306 W CA -0.571 56.793 57.345 0.032 0.000 1.223 306 W CB 0.822 30.301 29.460 0.033 0.000 1.389 306 W HN 0.249 nan 8.180 nan 0.000 0.541 307 G N 0.788 109.729 108.800 0.235 0.000 2.491 307 G HA2 0.218 4.178 3.960 -0.000 0.000 0.242 307 G HA3 0.218 4.178 3.960 -0.000 0.000 0.242 307 G C 0.593 175.581 174.900 0.147 0.000 1.266 307 G CA -0.582 44.602 45.100 0.140 0.000 0.844 307 G HN 0.483 nan 8.290 nan 0.000 0.571 308 V N 1.776 121.743 119.914 0.089 0.000 2.380 308 V HA -0.192 3.928 4.120 -0.000 0.000 0.251 308 V C 2.730 178.872 176.094 0.080 0.000 1.063 308 V CA 2.469 64.813 62.300 0.073 0.000 1.055 308 V CB -0.564 31.286 31.823 0.045 0.000 0.657 308 V HN 0.747 nan 8.190 nan 0.000 0.455 309 E N 0.180 120.426 120.200 0.076 0.000 2.072 309 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 309 E C 2.202 178.865 176.600 0.104 0.000 0.985 309 E CA 1.036 57.479 56.400 0.072 0.000 0.801 309 E CB -0.297 29.427 29.700 0.040 0.000 0.750 309 E HN 0.559 nan 8.360 nan 0.000 0.452 310 K N 0.201 120.680 120.400 0.132 0.000 2.148 310 K HA -0.008 4.312 4.320 -0.000 0.000 0.204 310 K C 2.099 178.795 176.600 0.160 0.000 1.050 310 K CA 0.881 57.281 56.287 0.188 0.000 0.942 310 K CB -0.104 32.598 32.500 0.337 0.000 0.724 310 K HN 0.132 nan 8.250 nan 0.000 0.446 311 I N 0.764 121.403 120.570 0.116 0.000 2.252 311 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 311 I C 2.349 178.484 176.117 0.030 0.000 1.102 311 I CA 1.248 62.557 61.300 0.016 0.000 1.385 311 I CB -0.186 37.832 38.000 0.031 0.000 1.064 311 I HN 0.115 nan 8.210 nan 0.000 0.414 312 R N -0.338 120.208 120.500 0.076 0.000 2.096 312 R HA -0.219 4.121 4.340 -0.000 0.000 0.235 312 R C 2.374 178.737 176.300 0.104 0.000 1.127 312 R CA 1.543 57.689 56.100 0.077 0.000 0.968 312 R CB -0.528 29.821 30.300 0.082 0.000 0.861 312 R HN 0.315 nan 8.270 nan 0.000 0.440 313 Y N 0.777 121.075 120.300 -0.004 0.000 2.207 313 Y HA -0.260 4.290 4.550 -0.000 0.000 0.287 313 Y C 2.065 177.946 175.900 -0.031 0.000 1.156 313 Y CA 1.545 59.642 58.100 -0.005 0.000 1.182 313 Y CB -0.122 38.345 38.460 0.012 0.000 0.979 313 Y HN 0.059 nan 8.280 nan 0.000 0.521 314 A N -1.202 121.607 122.820 -0.018 0.000 1.942 314 A HA 0.124 4.444 4.320 -0.000 0.000 0.209 314 A C 1.863 179.349 177.584 -0.163 0.000 1.214 314 A CA 0.940 52.884 52.037 -0.155 0.000 0.686 314 A CB -0.544 18.359 19.000 -0.162 0.000 0.871 314 A HN 0.412 nan 8.150 nan 0.000 0.460 315 L N -1.129 120.019 121.223 -0.124 0.000 2.554 315 L HA 0.385 4.725 4.340 -0.000 0.000 0.225 315 L C 1.314 178.165 176.870 -0.031 0.000 1.104 315 L CA 0.769 55.536 54.840 -0.122 0.000 0.866 315 L CB 0.042 42.028 42.059 -0.121 0.000 1.047 315 L HN 0.640 nan 8.230 nan 0.000 0.468 316 G N -0.306 108.486 108.800 -0.013 0.000 2.587 316 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.212 316 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.212 316 G C -2.633 172.291 174.900 0.041 0.000 1.327 316 G CA -1.062 44.048 45.100 0.017 0.000 0.898 316 G HN -0.051 nan 8.290 nan 0.000 0.551 317 P HA 0.345 nan 4.420 nan 0.000 0.260 317 P C 0.977 178.308 177.300 0.053 0.000 1.185 317 P CA 2.371 65.498 63.100 0.044 0.000 0.763 317 P CB 0.374 32.096 31.700 0.037 0.000 0.776 318 G N 2.609 111.438 108.800 0.048 0.000 2.179 318 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.260 318 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.260 318 G C 0.705 175.644 174.900 0.066 0.000 0.977 318 G CA 0.285 45.416 45.100 0.051 0.000 0.641 318 G HN 0.984 nan 8.290 nan 0.000 0.533 319 G N -0.811 108.029 108.800 0.067 0.000 2.575 319 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.267 319 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.267 319 G C 0.986 175.953 174.900 0.112 0.000 1.264 319 G CA 1.051 46.191 45.100 0.065 0.000 0.935 319 G HN 1.284 nan 8.290 nan 0.000 0.568 320 M N -0.726 118.933 119.600 0.097 0.000 2.319 320 M HA -0.002 4.478 4.480 -0.000 0.000 0.265 320 M C 2.711 179.189 176.300 0.296 0.000 1.068 320 M CA 2.494 57.907 55.300 0.189 0.000 1.118 320 M CB -0.275 32.369 32.600 0.073 0.000 1.395 320 M HN 0.651 nan 8.290 nan 0.000 0.435 321 T N -0.061 114.589 114.554 0.161 0.000 2.746 321 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 321 T C 1.573 176.369 174.700 0.160 0.000 1.039 321 T CA 1.516 63.694 62.100 0.129 0.000 1.142 321 T CB -0.658 68.240 68.868 0.049 0.000 0.866 321 T HN 0.654 nan 8.240 nan 0.000 0.444 322 G N -0.097 108.784 108.800 0.137 0.000 2.418 322 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 322 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 322 G C 1.377 176.344 174.900 0.112 0.000 1.158 322 G CA 0.730 45.890 45.100 0.101 0.000 0.771 322 G HN 0.616 nan 8.290 nan 0.000 0.545 323 W N 0.474 121.785 121.300 0.018 0.000 2.338 323 W HA -0.144 4.516 4.660 0.000 0.000 0.304 323 W C 2.198 178.730 176.519 0.020 0.000 1.212 323 W CA 1.522 58.860 57.345 -0.011 0.000 1.264 323 W CB -0.510 28.930 29.460 -0.034 0.000 1.142 323 W HN 0.227 nan 8.180 nan 0.000 0.512 324 Y N 1.526 121.681 120.300 -0.243 0.000 2.145 324 Y HA -0.268 4.282 4.550 -0.000 0.000 0.286 324 Y C 2.231 177.876 175.900 -0.426 0.000 1.145 324 Y CA 2.796 60.577 58.100 -0.532 0.000 1.148 324 Y CB -0.945 37.474 38.460 -0.068 0.000 0.981 324 Y HN 0.044 nan 8.280 nan 0.000 0.507 325 N N -0.548 118.144 118.700 -0.013 0.000 2.166 325 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 325 N C 1.833 177.224 175.510 -0.198 0.000 1.019 325 N CA 0.988 53.998 53.050 -0.066 0.000 0.856 325 N CB -0.142 38.356 38.487 0.019 0.000 0.993 325 N HN 0.310 nan 8.380 nan 0.000 0.426 326 R N 0.161 120.525 120.500 -0.227 0.000 2.075 326 R HA -0.028 4.312 4.340 -0.000 0.000 0.232 326 R C 1.947 178.048 176.300 -0.333 0.000 1.126 326 R CA 1.405 57.371 56.100 -0.225 0.000 0.963 326 R CB -0.396 29.799 30.300 -0.176 0.000 0.858 326 R HN 0.234 nan 8.270 nan 0.000 0.435 327 T N 1.100 115.311 114.554 -0.572 0.000 2.821 327 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 327 T C 1.644 176.045 174.700 -0.499 0.000 1.046 327 T CA 1.187 62.914 62.100 -0.623 0.000 1.139 327 T CB -0.124 68.096 68.868 -1.079 0.000 0.871 327 T HN 0.085 nan 8.240 nan 0.000 0.454 328 M N 1.482 120.762 119.600 -0.534 0.000 2.108 328 M HA -0.105 4.375 4.480 -0.000 0.000 0.261 328 M C 2.244 178.385 176.300 -0.264 0.000 1.066 328 M CA 1.632 56.687 55.300 -0.409 0.000 1.107 328 M CB -0.527 31.858 32.600 -0.359 0.000 1.356 328 M HN 0.195 nan 8.290 nan 0.000 0.406 329 Q N -0.705 118.961 119.800 -0.223 0.000 2.123 329 Q HA -0.184 4.156 4.340 -0.000 0.000 0.199 329 Q C 1.726 177.638 176.000 -0.147 0.000 0.966 329 Q CA 1.505 57.215 55.803 -0.156 0.000 0.845 329 Q CB -0.025 28.638 28.738 -0.124 0.000 0.907 329 Q HN 0.673 nan 8.270 nan 0.000 0.439 330 Q N -0.801 118.896 119.800 -0.170 0.000 2.403 330 Q HA 0.112 4.452 4.340 -0.000 0.000 0.203 330 Q C 1.754 177.669 176.000 -0.142 0.000 0.932 330 Q CA 0.342 56.063 55.803 -0.136 0.000 0.945 330 Q CB 0.287 28.950 28.738 -0.125 0.000 1.045 330 Q HN 0.393 nan 8.270 nan 0.000 0.511 331 A N 2.242 124.953 122.820 -0.182 0.000 1.958 331 A HA -0.164 4.156 4.320 -0.000 0.000 0.221 331 A C -0.466 177.032 177.584 -0.144 0.000 1.178 331 A CA 1.308 53.236 52.037 -0.182 0.000 0.642 331 A CB -1.389 17.476 19.000 -0.224 0.000 0.816 331 A HN 0.239 nan 8.150 nan 0.000 0.453 332 P HA -0.097 nan 4.420 nan 0.000 0.221 332 P C 1.045 178.293 177.300 -0.085 0.000 1.145 332 P CA 0.964 64.004 63.100 -0.100 0.000 0.795 332 P CB 0.031 31.683 31.700 -0.081 0.000 0.775 333 I N -1.882 118.639 120.570 -0.082 0.000 3.132 333 I HA -0.052 4.118 4.170 -0.000 0.000 0.255 333 I C 2.046 178.126 176.117 -0.062 0.000 1.118 333 I CA 0.490 61.751 61.300 -0.065 0.000 1.463 333 I CB -0.483 37.487 38.000 -0.050 0.000 1.356 333 I HN -0.237 nan 8.210 nan 0.000 0.463 334 V N -0.801 119.077 119.914 -0.061 0.000 3.041 334 V HA 0.048 4.168 4.120 -0.000 0.000 0.260 334 V C 1.400 177.471 176.094 -0.038 0.000 1.105 334 V CA 1.195 63.474 62.300 -0.035 0.000 1.125 334 V CB -0.335 31.480 31.823 -0.013 0.000 0.730 334 V HN 0.356 nan 8.190 nan 0.000 0.479 335 L N 0.581 121.755 121.223 -0.081 0.000 3.168 335 L HA 0.424 4.764 4.340 -0.000 0.000 0.277 335 L C -0.065 176.728 176.870 -0.128 0.000 1.245 335 L CA 0.054 54.839 54.840 -0.091 0.000 1.035 335 L CB 0.622 42.602 42.059 -0.133 0.000 1.399 335 L HN 0.233 nan 8.230 nan 0.000 0.580 336 T N 0.130 114.612 114.554 -0.120 0.000 2.906 336 T HA 0.372 4.722 4.350 -0.000 0.000 0.302 336 T C -2.508 172.094 174.700 -0.164 0.000 1.002 336 T CA -1.209 60.803 62.100 -0.147 0.000 0.988 336 T CB 1.997 70.788 68.868 -0.128 0.000 0.972 336 T HN -0.201 nan 8.240 nan 0.000 0.447 337 P HA 0.222 nan 4.420 nan 0.000 0.266 337 P C 0.781 177.914 177.300 -0.279 0.000 1.195 337 P CA -0.240 62.627 63.100 -0.388 0.000 0.768 337 P CB 0.513 31.626 31.700 -0.979 0.000 0.838 338 A N 3.610 126.311 122.820 -0.197 0.000 1.948 338 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 338 A C 2.129 179.628 177.584 -0.142 0.000 1.177 338 A CA 2.198 54.159 52.037 -0.127 0.000 0.636 338 A CB -1.598 17.357 19.000 -0.075 0.000 0.815 338 A HN 0.579 nan 8.150 nan 0.000 0.449 339 A N -0.860 121.856 122.820 -0.173 0.000 1.986 339 A HA -0.059 4.261 4.320 -0.000 0.000 0.220 339 A C 1.842 179.267 177.584 -0.265 0.000 1.171 339 A CA 1.690 53.644 52.037 -0.139 0.000 0.640 339 A CB -0.472 18.545 19.000 0.027 0.000 0.811 339 A HN 0.430 nan 8.150 nan 0.000 0.451 340 L N -0.004 121.112 121.223 -0.179 0.000 2.551 340 L HA -0.015 4.325 4.340 -0.000 0.000 0.228 340 L C 1.992 178.861 176.870 -0.001 0.000 1.153 340 L CA 1.895 56.729 54.840 -0.010 0.000 0.851 340 L CB -0.269 41.859 42.059 0.116 0.000 0.959 340 L HN 0.603 nan 8.230 nan 0.000 0.451 341 T N -5.554 108.932 114.554 -0.113 0.000 3.200 341 T HA 0.302 4.652 4.350 -0.000 0.000 0.284 341 T C 0.687 175.352 174.700 -0.057 0.000 1.009 341 T CA -0.158 61.929 62.100 -0.021 0.000 0.907 341 T CB -0.108 68.754 68.868 -0.008 0.000 1.120 341 T HN 0.078 nan 8.240 nan 0.000 0.534 342 M N 1.308 120.772 119.600 -0.226 0.000 2.963 342 M HA 0.456 4.936 4.480 -0.000 0.000 0.350 342 M C -1.047 175.247 176.300 -0.008 0.000 1.253 342 M CA -0.541 54.723 55.300 -0.059 0.000 0.856 342 M CB 0.247 32.829 32.600 -0.030 0.000 1.356 342 M HN 0.166 nan 8.290 nan 0.000 0.510 343 F N 1.961 122.025 119.950 0.190 0.000 2.380 343 F HA 0.390 4.917 4.527 -0.000 0.000 0.325 343 F C -1.534 174.226 175.800 -0.066 0.000 1.136 343 F CA -1.919 56.155 58.000 0.123 0.000 1.171 343 F CB 0.213 39.230 39.000 0.028 0.000 1.230 343 F HN 0.061 nan 8.300 nan 0.000 0.554 344 P HA 0.013 nan 4.420 nan 0.000 0.268 344 P C -0.795 176.321 177.300 -0.307 0.000 1.205 344 P CA 0.041 62.716 63.100 -0.709 0.000 0.771 344 P CB 0.860 32.127 31.700 -0.722 0.000 0.858 345 D N -0.787 119.457 120.400 -0.259 0.000 2.423 345 D HA 0.006 4.646 4.640 -0.000 0.000 0.212 345 D C -0.132 176.110 176.300 -0.096 0.000 1.060 345 D CA 0.276 54.218 54.000 -0.096 0.000 0.872 345 D CB -0.356 40.440 40.800 -0.007 0.000 1.012 345 D HN 0.153 nan 8.370 nan 0.000 0.503 346 T N 1.686 116.165 114.554 -0.125 0.000 2.832 346 T HA 0.346 4.696 4.350 -0.000 0.000 0.313 346 T C -0.411 174.215 174.700 -0.123 0.000 1.035 346 T CA -0.568 61.481 62.100 -0.085 0.000 0.950 346 T CB 0.688 69.532 68.868 -0.039 0.000 0.984 346 T HN 0.036 nan 8.240 nan 0.000 0.486 347 I N 3.337 123.841 120.570 -0.111 0.000 2.412 347 I HA 0.410 4.580 4.170 -0.000 0.000 0.296 347 I C 0.972 177.041 176.117 -0.080 0.000 0.987 347 I CA -0.645 60.580 61.300 -0.124 0.000 1.180 347 I CB 1.911 39.833 38.000 -0.131 0.000 1.340 347 I HN 0.560 nan 8.210 nan 0.000 0.455 348 K N 3.065 123.429 120.400 -0.061 0.000 2.306 348 K HA 0.101 4.421 4.320 -0.000 0.000 0.200 348 K C 1.104 177.722 176.600 0.031 0.000 1.083 348 K CA 0.590 56.863 56.287 -0.023 0.000 0.959 348 K CB 0.473 32.956 32.500 -0.027 0.000 0.994 348 K HN 0.436 nan 8.250 nan 0.000 0.492 349 F N 0.787 120.656 119.950 -0.134 0.000 2.389 349 F HA 0.283 4.810 4.527 -0.000 0.000 0.275 349 F C 0.987 176.720 175.800 -0.113 0.000 1.009 349 F CA 1.493 59.423 58.000 -0.117 0.000 1.187 349 F CB 0.166 39.088 39.000 -0.130 0.000 1.139 349 F HN 0.175 nan 8.300 nan 0.000 0.613 350 G N 0.719 109.423 108.800 -0.159 0.000 2.660 350 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.215 350 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.215 350 G C -0.359 174.330 174.900 -0.351 0.000 1.345 350 G CA -0.017 44.924 45.100 -0.264 0.000 0.877 350 G HN 0.319 nan 8.290 nan 0.000 0.549 351 D N 0.040 120.289 120.400 -0.252 0.000 2.369 351 D HA 0.166 4.806 4.640 -0.000 0.000 0.211 351 D C 1.999 178.221 176.300 -0.129 0.000 1.077 351 D CA 0.321 54.240 54.000 -0.134 0.000 0.842 351 D CB 0.375 41.225 40.800 0.084 0.000 0.947 351 D HN 0.333 nan 8.370 nan 0.000 0.509 352 L N 0.474 121.520 121.223 -0.296 0.000 2.818 352 L HA 0.244 4.584 4.340 -0.000 0.000 0.243 352 L C 1.275 177.996 176.870 -0.249 0.000 1.185 352 L CA -0.083 54.618 54.840 -0.230 0.000 0.988 352 L CB 0.129 42.011 42.059 -0.294 0.000 1.292 352 L HN -0.182 nan 8.230 nan 0.000 0.519 353 N N -0.165 118.320 118.700 -0.360 0.000 2.392 353 N HA 0.068 4.808 4.740 -0.000 0.000 0.177 353 N C -0.386 174.673 175.510 -0.751 0.000 1.066 353 N CA 0.703 53.426 53.050 -0.545 0.000 0.895 353 N CB 0.596 38.658 38.487 -0.709 0.000 0.988 353 N HN 0.241 nan 8.380 nan 0.000 0.457 354 Y N -0.286 120.092 120.300 0.130 0.000 2.588 354 Y HA 0.407 4.957 4.550 -0.000 0.000 0.343 354 Y C -2.238 173.852 175.900 0.317 0.000 1.065 354 Y CA -1.992 56.269 58.100 0.268 0.000 1.038 354 Y CB 2.131 40.868 38.460 0.462 0.000 1.297 354 Y HN -0.154 nan 8.280 nan 0.000 0.467 355 P HA 0.286 nan 4.420 nan 0.000 0.278 355 P C -1.040 176.319 177.300 0.098 0.000 1.258 355 P CA -0.324 62.890 63.100 0.190 0.000 0.811 355 P CB 1.878 33.655 31.700 0.128 0.000 1.063 356 V N 2.559 122.427 119.914 -0.077 0.000 2.472 356 V HA 0.439 4.559 4.120 -0.000 0.000 0.290 356 V C 0.707 176.747 176.094 -0.088 0.000 1.037 356 V CA -0.292 61.869 62.300 -0.231 0.000 0.908 356 V CB 0.932 32.569 31.823 -0.310 0.000 0.985 356 V HN 0.643 nan 8.190 nan 0.000 0.454 357 M N 3.986 123.521 119.600 -0.108 0.000 2.745 357 M HA 0.711 5.191 4.480 -0.000 0.000 0.290 357 M C -1.240 174.943 176.300 -0.195 0.000 1.262 357 M CA -0.848 54.389 55.300 -0.104 0.000 0.795 357 M CB 2.290 34.840 32.600 -0.083 0.000 1.758 357 M HN 0.253 nan 8.290 nan 0.000 0.461 358 I N 1.357 121.750 120.570 -0.296 0.000 2.304 358 I HA 0.707 4.877 4.170 -0.000 0.000 0.291 358 I C 0.213 175.915 176.117 -0.693 0.000 1.018 358 I CA 0.223 61.173 61.300 -0.584 0.000 1.260 358 I CB 1.031 38.596 38.000 -0.726 0.000 1.390 358 I HN 0.951 nan 8.210 nan 0.000 0.475 359 G N 4.617 112.967 108.800 -0.751 0.000 2.428 359 G HA2 0.170 4.130 3.960 -0.000 0.000 0.304 359 G HA3 0.170 4.130 3.960 -0.000 0.000 0.304 359 G C -1.843 172.966 174.900 -0.152 0.000 1.303 359 G CA -0.742 44.059 45.100 -0.497 0.000 0.825 359 G HN 0.330 nan 8.290 nan 0.000 0.484 360 D N 1.754 122.234 120.400 0.134 0.000 2.383 360 D HA 0.417 5.057 4.640 -0.000 0.000 0.252 360 D C -2.095 174.307 176.300 0.170 0.000 1.166 360 D CA -0.502 53.628 54.000 0.217 0.000 0.879 360 D CB 1.313 42.242 40.800 0.215 0.000 1.164 360 D HN -0.050 nan 8.370 nan 0.000 0.462 361 P HA 0.217 nan 4.420 nan 0.000 0.271 361 P C -0.373 177.098 177.300 0.286 0.000 1.216 361 P CA -0.129 63.138 63.100 0.279 0.000 0.776 361 P CB 0.606 32.477 31.700 0.284 0.000 0.881 362 M N 0.991 120.816 119.600 0.374 0.000 2.644 362 M HA 0.626 5.106 4.480 -0.000 0.000 0.273 362 M C -1.848 174.636 176.300 0.307 0.000 1.253 362 M CA -0.789 54.677 55.300 0.277 0.000 0.852 362 M CB 2.011 34.721 32.600 0.184 0.000 1.708 362 M HN -0.015 nan 8.290 nan 0.000 0.471 363 I N 2.998 123.686 120.570 0.197 0.000 2.466 363 I HA 0.598 4.768 4.170 -0.000 0.000 0.289 363 I C -1.157 174.999 176.117 0.065 0.000 1.026 363 I CA -0.897 60.479 61.300 0.127 0.000 1.078 363 I CB 2.098 40.160 38.000 0.103 0.000 1.249 363 I HN 0.786 nan 8.210 nan 0.000 0.429 364 L N 3.929 125.173 121.223 0.035 0.000 2.257 364 L HA 1.087 5.427 4.340 -0.000 0.000 0.257 364 L C -0.082 176.765 176.870 -0.038 0.000 1.033 364 L CA -0.391 54.450 54.840 0.001 0.000 0.835 364 L CB 1.260 43.321 42.059 0.003 0.000 1.398 364 L HN 0.485 nan 8.230 nan 0.000 0.429 365 G N 0.000 108.770 108.800 -0.049 0.000 5.446 365 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 365 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 365 G CA 0.000 45.062 45.100 -0.063 0.000 0.502 365 G HN 0.000 nan 8.290 nan 0.000 0.925