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 2zsj_1_D DATA FIRST_RESID 3 DATA SEQUENCE RWQGIIKQYK KYLPVDENTP IVTLYEGNTP LIEADNLARA IGFKGKIYLK DATA SEQUENCE YEGLNPTGSF KDRGMTLAIS KAVEAGKRAV ICASTGNTSA SAAAYAARAG DATA SEQUENCE LRAYVLLPKG XXAIGKLSQA MIYGAKVLAI QGTFDDALNI VRKIGENFPV DATA SEQUENCE EIVNSVNPYR IEGQKTAAFE ICDTLGEAPD YHFIPVGNAG NITAYWKGFK DATA SEQUENCE IYYEEGKITK LPRMMGWQAE GAAPIVKGYP IKNPQTIATA IKIGNPYSWK DATA SEQUENCE SALKAAQESG GKIDAVSDSE ILYAYKLIAS TEGVFCEPAS AASVAGLIKL DATA SEQUENCE VREGFFKGGE VVTCTLTGNG LKDPDTAIKV CEEPITVPPD FDEVVKVLGF 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.439 176.300 0.232 0.000 0.893 3 R CA 0.000 56.197 56.100 0.161 0.000 0.921 3 R CB 0.000 30.372 30.300 0.120 0.000 0.687 4 W N 5.795 127.158 121.300 0.105 0.000 2.272 4 W HA 0.239 4.899 4.660 -0.000 0.000 0.318 4 W C -0.774 175.866 176.519 0.203 0.000 1.255 4 W CA -0.057 57.361 57.345 0.122 0.000 1.200 4 W CB 1.315 30.857 29.460 0.137 0.000 1.170 4 W HN 0.683 nan 8.180 nan 0.000 0.549 5 Q N 4.596 123.952 119.800 -0.739 0.000 2.089 5 Q HA 0.318 4.657 4.340 -0.000 0.000 0.248 5 Q C 0.182 175.562 176.000 -1.033 0.000 0.828 5 Q CA -0.003 55.370 55.803 -0.717 0.000 1.102 5 Q CB 1.095 29.578 28.738 -0.426 0.000 1.221 5 Q HN 0.743 nan 8.270 nan 0.000 0.455 6 G N 1.368 109.284 108.800 -1.473 0.000 2.662 6 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.686 6 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.686 6 G C 0.336 174.830 174.900 -0.676 0.000 1.271 6 G CA -0.346 44.305 45.100 -0.748 0.000 0.816 6 G HN 0.319 nan 8.290 nan 0.000 0.608 7 I N -1.093 119.434 120.570 -0.071 0.000 2.394 7 I HA 0.052 4.222 4.170 -0.000 0.000 0.251 7 I C 2.475 178.623 176.117 0.052 0.000 1.136 7 I CA 1.206 62.591 61.300 0.141 0.000 1.425 7 I CB -0.398 37.795 38.000 0.322 0.000 1.079 7 I HN 0.524 nan 8.210 nan 0.000 0.425 8 I N 1.561 122.107 120.570 -0.041 0.000 2.179 8 I HA -0.252 3.917 4.170 -0.000 0.000 0.242 8 I C 2.649 178.711 176.117 -0.091 0.000 1.088 8 I CA 1.543 62.824 61.300 -0.033 0.000 1.357 8 I CB -0.391 37.565 38.000 -0.074 0.000 1.051 8 I HN 0.221 nan 8.210 nan 0.000 0.409 9 K N 1.052 121.326 120.400 -0.210 0.000 2.147 9 K HA -0.241 4.079 4.320 -0.000 0.000 0.205 9 K C 2.083 178.528 176.600 -0.257 0.000 1.049 9 K CA 1.520 57.666 56.287 -0.236 0.000 0.936 9 K CB -0.187 32.126 32.500 -0.312 0.000 0.722 9 K HN 0.121 nan 8.250 nan 0.000 0.446 10 Q N -0.963 118.614 119.800 -0.372 0.000 2.083 10 Q HA -0.038 4.302 4.340 -0.000 0.000 0.198 10 Q C 0.281 175.998 176.000 -0.473 0.000 0.969 10 Q CA 1.492 57.006 55.803 -0.483 0.000 0.838 10 Q CB 0.069 28.410 28.738 -0.662 0.000 0.900 10 Q HN 0.446 nan 8.270 nan 0.000 0.436 11 Y N -0.356 120.024 120.300 0.133 0.000 2.734 11 Y HA 0.346 4.896 4.550 -0.000 0.000 0.278 11 Y C 1.050 177.072 175.900 0.203 0.000 1.108 11 Y CA -0.609 57.657 58.100 0.276 0.000 1.211 11 Y CB 0.180 38.891 38.460 0.418 0.000 1.182 11 Y HN 0.028 nan 8.280 nan 0.000 0.547 12 K N 1.678 122.155 120.400 0.128 0.000 2.089 12 K HA -0.261 4.058 4.320 -0.000 0.000 0.210 12 K C 2.048 178.661 176.600 0.021 0.000 1.048 12 K CA 2.177 58.493 56.287 0.050 0.000 0.926 12 K CB 0.122 32.604 32.500 -0.031 0.000 0.714 12 K HN 0.492 nan 8.250 nan 0.000 0.448 13 K N -1.020 119.334 120.400 -0.077 0.000 2.362 13 K HA -0.160 4.160 4.320 -0.000 0.000 0.200 13 K C 0.882 177.340 176.600 -0.236 0.000 1.046 13 K CA 1.329 57.485 56.287 -0.218 0.000 0.952 13 K CB -0.092 32.179 32.500 -0.381 0.000 0.753 13 K HN 0.217 nan 8.250 nan 0.000 0.466 14 Y N 1.268 121.626 120.300 0.095 0.000 2.457 14 Y HA 0.327 4.877 4.550 -0.000 0.000 0.263 14 Y C 0.482 176.475 175.900 0.155 0.000 1.164 14 Y CA -0.342 57.840 58.100 0.138 0.000 1.274 14 Y CB 0.386 38.974 38.460 0.213 0.000 1.097 14 Y HN -0.095 nan 8.280 nan 0.000 0.523 15 L N 1.672 123.033 121.223 0.230 0.000 2.333 15 L HA 0.433 4.773 4.340 -0.000 0.000 0.269 15 L C -2.127 174.799 176.870 0.093 0.000 1.010 15 L CA -2.278 52.660 54.840 0.163 0.000 0.818 15 L CB 1.710 43.853 42.059 0.141 0.000 1.306 15 L HN -0.235 nan 8.230 nan 0.000 0.430 16 P HA 0.077 nan 4.420 nan 0.000 0.235 16 P C -0.834 176.464 177.300 -0.002 0.000 1.765 16 P CA 0.159 63.303 63.100 0.072 0.000 1.034 16 P CB -0.206 31.596 31.700 0.169 0.000 1.984 17 V N -0.484 119.423 119.914 -0.011 0.000 3.114 17 V HA 0.764 4.883 4.120 -0.000 0.000 0.308 17 V C -0.983 175.093 176.094 -0.031 0.000 1.168 17 V CA -1.197 61.078 62.300 -0.042 0.000 1.015 17 V CB 2.650 34.439 31.823 -0.057 0.000 1.050 17 V HN 0.227 nan 8.190 nan 0.000 0.433 18 D N 0.247 120.624 120.400 -0.038 0.000 2.687 18 D HA 0.447 5.087 4.640 -0.000 0.000 0.264 18 D C 0.625 176.900 176.300 -0.041 0.000 1.091 18 D CA -0.334 53.645 54.000 -0.034 0.000 1.123 18 D CB 1.281 42.065 40.800 -0.027 0.000 1.407 18 D HN 0.568 nan 8.370 nan 0.000 0.591 19 E N -0.893 119.284 120.200 -0.039 0.000 2.401 19 E HA -0.091 4.259 4.350 -0.000 0.000 0.199 19 E C 0.512 177.089 176.600 -0.039 0.000 1.023 19 E CA 1.282 57.658 56.400 -0.041 0.000 0.859 19 E CB -0.368 29.310 29.700 -0.037 0.000 0.780 19 E HN 0.505 nan 8.360 nan 0.000 0.523 20 N N -1.235 117.443 118.700 -0.036 0.000 2.325 20 N HA 0.019 4.759 4.740 -0.000 0.000 0.182 20 N C -0.416 175.070 175.510 -0.039 0.000 1.088 20 N CA 0.129 53.159 53.050 -0.033 0.000 0.879 20 N CB 0.466 38.938 38.487 -0.026 0.000 0.983 20 N HN -0.070 nan 8.380 nan 0.000 0.471 21 T N 3.696 118.221 114.554 -0.048 0.000 2.853 21 T HA 0.093 4.443 4.350 -0.000 0.000 0.298 21 T C -2.299 172.364 174.700 -0.062 0.000 0.978 21 T CA -0.826 61.238 62.100 -0.060 0.000 1.152 21 T CB 0.957 69.780 68.868 -0.075 0.000 0.914 21 T HN 0.088 nan 8.240 nan 0.000 0.539 22 P HA 0.249 nan 4.420 nan 0.000 0.276 22 P C -0.743 176.518 177.300 -0.065 0.000 1.235 22 P CA -0.506 62.562 63.100 -0.054 0.000 0.772 22 P CB 0.592 32.266 31.700 -0.043 0.000 0.871 23 I N 4.538 125.066 120.570 -0.070 0.000 2.297 23 I HA 0.140 4.310 4.170 -0.000 0.000 0.291 23 I C 0.345 176.423 176.117 -0.065 0.000 1.033 23 I CA -0.815 60.436 61.300 -0.081 0.000 1.253 23 I CB 1.040 38.975 38.000 -0.109 0.000 1.396 23 I HN 0.071 nan 8.210 nan 0.000 0.476 24 V N 5.942 125.835 119.914 -0.035 0.000 2.304 24 V HA 0.343 4.463 4.120 -0.000 0.000 0.269 24 V C 0.446 176.587 176.094 0.079 0.000 1.036 24 V CA -0.218 62.092 62.300 0.016 0.000 0.840 24 V CB 1.090 32.946 31.823 0.056 0.000 1.036 24 V HN 0.850 nan 8.190 nan 0.000 0.466 25 T N 4.855 119.412 114.554 0.005 0.000 2.893 25 T HA 0.651 5.001 4.350 -0.000 0.000 0.291 25 T C -0.040 174.651 174.700 -0.014 0.000 1.028 25 T CA -0.424 61.687 62.100 0.020 0.000 0.995 25 T CB 1.494 70.238 68.868 -0.206 0.000 1.051 25 T HN 0.454 nan 8.240 nan 0.000 0.470 26 L N 4.148 125.425 121.223 0.089 0.000 3.110 26 L HA 0.358 4.698 4.340 -0.000 0.000 0.266 26 L C -0.453 176.645 176.870 0.379 0.000 1.257 26 L CA -0.449 54.467 54.840 0.126 0.000 1.038 26 L CB -0.257 41.721 42.059 -0.135 0.000 1.395 26 L HN 0.926 nan 8.230 nan 0.000 0.566 27 Y N -0.214 120.153 120.300 0.112 0.000 3.929 27 Y HA -0.266 4.284 4.550 -0.000 0.000 0.225 27 Y C 1.249 177.409 175.900 0.433 0.000 1.200 27 Y CA 0.334 58.564 58.100 0.217 0.000 1.791 27 Y CB -1.864 36.725 38.460 0.216 0.000 1.561 27 Y HN 0.492 nan 8.280 nan 0.000 0.657 28 E N 1.254 121.722 120.200 0.446 0.000 2.410 28 E HA 0.484 4.833 4.350 -0.000 0.000 0.255 28 E C 1.200 178.133 176.600 0.555 0.000 1.194 28 E CA 0.515 57.160 56.400 0.409 0.000 0.955 28 E CB 0.894 30.793 29.700 0.332 0.000 0.988 28 E HN 0.820 nan 8.360 nan 0.000 0.461 29 G N 1.520 110.520 108.800 0.333 0.000 2.725 29 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.220 29 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.220 29 G C 0.140 174.936 174.900 -0.173 0.000 1.357 29 G CA 0.424 45.675 45.100 0.252 0.000 0.866 29 G HN 1.143 nan 8.290 nan 0.000 0.548 30 N N -1.328 117.064 118.700 -0.515 0.000 2.693 30 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 30 N C 0.691 175.951 175.510 -0.416 0.000 1.119 30 N CA 3.045 55.572 53.050 -0.872 0.000 0.717 30 N CB -1.458 35.767 38.487 -2.104 0.000 1.071 30 N HN 2.027 nan 8.380 nan 0.000 0.555 31 T N -2.422 112.019 114.554 -0.188 0.000 2.900 31 T HA 0.460 4.810 4.350 -0.000 0.000 0.307 31 T C -2.235 172.457 174.700 -0.013 0.000 1.065 31 T CA -1.256 60.800 62.100 -0.073 0.000 1.105 31 T CB 0.995 69.860 68.868 -0.005 0.000 0.979 31 T HN 0.025 nan 8.240 nan 0.000 0.544 32 P HA 0.208 nan 4.420 nan 0.000 0.265 32 P C -0.840 176.546 177.300 0.144 0.000 1.193 32 P CA -0.478 62.682 63.100 0.100 0.000 0.765 32 P CB 0.227 32.018 31.700 0.152 0.000 0.823 33 L N 5.278 126.584 121.223 0.139 0.000 2.335 33 L HA 0.386 4.726 4.340 -0.000 0.000 0.268 33 L C -0.768 176.239 176.870 0.228 0.000 1.037 33 L CA -0.173 54.782 54.840 0.192 0.000 0.895 33 L CB -0.344 41.812 42.059 0.162 0.000 1.266 33 L HN 0.240 nan 8.230 nan 0.000 0.439 34 I N 3.487 124.166 120.570 0.183 0.000 2.352 34 I HA 0.192 4.362 4.170 -0.000 0.000 0.290 34 I C 0.519 176.661 176.117 0.041 0.000 1.036 34 I CA -0.353 61.011 61.300 0.106 0.000 1.336 34 I CB 1.073 39.096 38.000 0.038 0.000 1.407 34 I HN 0.585 nan 8.210 nan 0.000 0.497 35 E N 6.310 126.488 120.200 -0.036 0.000 2.220 35 E HA 0.272 4.622 4.350 -0.000 0.000 0.272 35 E C -0.189 176.281 176.600 -0.216 0.000 1.099 35 E CA -0.472 55.737 56.400 -0.320 0.000 0.907 35 E CB 0.781 30.299 29.700 -0.303 0.000 1.022 35 E HN 0.733 nan 8.360 nan 0.000 0.428 36 A N 5.519 128.196 122.820 -0.237 0.000 3.094 36 A HA 0.114 4.433 4.320 -0.000 0.000 0.288 36 A C 0.315 177.811 177.584 -0.146 0.000 1.519 36 A CA -0.569 51.369 52.037 -0.165 0.000 1.227 36 A CB 0.093 18.997 19.000 -0.159 0.000 1.175 36 A HN 0.780 nan 8.150 nan 0.000 0.568 37 D N 0.902 121.228 120.400 -0.125 0.000 2.144 37 D HA -0.138 4.502 4.640 -0.000 0.000 0.200 37 D C 1.267 177.526 176.300 -0.070 0.000 0.978 37 D CA 1.128 55.075 54.000 -0.090 0.000 0.833 37 D CB 0.118 40.873 40.800 -0.076 0.000 0.961 37 D HN 0.473 nan 8.370 nan 0.000 0.470 38 N N 0.804 119.460 118.700 -0.073 0.000 2.084 38 N HA -0.126 4.614 4.740 -0.000 0.000 0.190 38 N C 1.899 177.366 175.510 -0.071 0.000 1.030 38 N CA 0.354 53.364 53.050 -0.066 0.000 0.849 38 N CB -0.535 37.910 38.487 -0.070 0.000 1.012 38 N HN 0.164 nan 8.380 nan 0.000 0.423 39 L N 1.034 122.201 121.223 -0.093 0.000 2.017 39 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 39 L C 2.046 178.869 176.870 -0.079 0.000 1.073 39 L CA 1.723 56.499 54.840 -0.106 0.000 0.745 39 L CB -1.030 40.944 42.059 -0.143 0.000 0.894 39 L HN 0.140 nan 8.230 nan 0.000 0.432 40 A N -0.119 122.665 122.820 -0.060 0.000 1.883 40 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 40 A C 2.400 179.997 177.584 0.022 0.000 1.186 40 A CA 2.028 54.076 52.037 0.017 0.000 0.624 40 A CB -0.595 18.444 19.000 0.064 0.000 0.822 40 A HN 0.552 nan 8.150 nan 0.000 0.444 41 R N -0.539 119.954 120.500 -0.010 0.000 2.115 41 R HA -0.009 4.331 4.340 -0.000 0.000 0.230 41 R C 2.393 178.689 176.300 -0.007 0.000 1.111 41 R CA 1.043 57.136 56.100 -0.012 0.000 0.976 41 R CB -0.449 29.837 30.300 -0.023 0.000 0.870 41 R HN 0.510 nan 8.270 nan 0.000 0.445 42 A N 1.829 124.639 122.820 -0.017 0.000 1.930 42 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 42 A C 2.114 179.708 177.584 0.016 0.000 1.175 42 A CA 1.321 53.352 52.037 -0.011 0.000 0.627 42 A CB -0.449 18.528 19.000 -0.038 0.000 0.815 42 A HN 0.476 nan 8.150 nan 0.000 0.443 43 I N -5.273 115.306 120.570 0.015 0.000 3.968 43 I HA 0.477 4.646 4.170 -0.000 0.000 0.328 43 I C 1.149 177.299 176.117 0.055 0.000 1.290 43 I CA 0.629 61.953 61.300 0.039 0.000 1.163 43 I CB 0.092 38.099 38.000 0.012 0.000 1.024 43 I HN 0.363 nan 8.210 nan 0.000 0.413 44 G N 2.034 110.863 108.800 0.049 0.000 2.149 44 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.235 44 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.235 44 G C -0.148 174.791 174.900 0.066 0.000 1.018 44 G CA 0.007 45.134 45.100 0.044 0.000 0.728 44 G HN 0.463 nan 8.290 nan 0.000 0.508 45 F N 1.785 121.680 119.950 -0.091 0.000 2.438 45 F HA 0.566 5.092 4.527 -0.000 0.000 0.360 45 F C 0.733 176.456 175.800 -0.129 0.000 1.118 45 F CA -1.217 56.695 58.000 -0.147 0.000 1.164 45 F CB 0.714 39.573 39.000 -0.235 0.000 1.131 45 F HN -0.120 nan 8.300 nan 0.000 0.527 46 K N 5.674 125.697 120.400 -0.628 0.000 2.502 46 K HA 0.417 4.737 4.320 -0.000 0.000 0.244 46 K C 0.291 176.443 176.600 -0.747 0.000 1.249 46 K CA -0.040 55.946 56.287 -0.502 0.000 1.193 46 K CB -0.148 32.178 32.500 -0.291 0.000 1.674 46 K HN 0.893 nan 8.250 nan 0.000 0.302 47 G N 0.022 108.333 108.800 -0.815 0.000 2.490 47 G HA2 0.263 4.223 3.960 -0.000 0.000 0.308 47 G HA3 0.263 4.223 3.960 -0.000 0.000 0.308 47 G C -1.435 173.457 174.900 -0.013 0.000 1.286 47 G CA -0.806 43.979 45.100 -0.525 0.000 0.825 47 G HN 0.120 nan 8.290 nan 0.000 0.479 48 K N -0.030 120.500 120.400 0.216 0.000 2.159 48 K HA 0.648 4.968 4.320 -0.000 0.000 0.266 48 K C -0.798 175.917 176.600 0.192 0.000 0.975 48 K CA -0.441 55.938 56.287 0.154 0.000 0.865 48 K CB 2.161 34.742 32.500 0.134 0.000 1.087 48 K HN 0.308 nan 8.250 nan 0.000 0.446 49 I N 3.124 123.641 120.570 -0.090 0.000 2.433 49 I HA 0.313 4.483 4.170 -0.000 0.000 0.292 49 I C -1.127 174.825 176.117 -0.274 0.000 1.001 49 I CA -0.962 60.240 61.300 -0.164 0.000 1.119 49 I CB 1.074 38.910 38.000 -0.274 0.000 1.289 49 I HN 0.471 nan 8.210 nan 0.000 0.438 50 Y N 5.852 126.150 120.300 -0.004 0.000 2.391 50 Y HA 0.548 5.098 4.550 -0.000 0.000 0.341 50 Y C -0.484 175.434 175.900 0.031 0.000 0.965 50 Y CA -0.721 57.401 58.100 0.037 0.000 1.067 50 Y CB 1.842 40.358 38.460 0.093 0.000 1.199 50 Y HN 0.283 nan 8.280 nan 0.000 0.450 51 L N 4.008 125.321 121.223 0.150 0.000 2.280 51 L HA 0.456 4.796 4.340 -0.000 0.000 0.287 51 L C -0.304 176.672 176.870 0.177 0.000 1.023 51 L CA -1.026 53.876 54.840 0.105 0.000 0.819 51 L CB 1.213 43.270 42.059 -0.004 0.000 1.212 51 L HN 0.389 nan 8.230 nan 0.000 0.420 52 K N 2.973 123.502 120.400 0.215 0.000 2.250 52 K HA 0.067 4.387 4.320 -0.000 0.000 0.285 52 K C -0.640 176.127 176.600 0.278 0.000 1.097 52 K CA -0.225 56.207 56.287 0.242 0.000 0.913 52 K CB -0.093 32.573 32.500 0.276 0.000 1.179 52 K HN 0.257 nan 8.250 nan 0.000 0.462 53 Y N 4.615 124.974 120.300 0.099 0.000 2.570 53 Y HA 0.095 4.645 4.550 -0.000 0.000 0.336 53 Y C 0.332 176.288 175.900 0.094 0.000 1.284 53 Y CA -0.378 57.774 58.100 0.086 0.000 1.761 53 Y CB 0.075 38.576 38.460 0.068 0.000 1.724 53 Y HN 0.671 nan 8.280 nan 0.000 0.455 54 E N 1.970 122.290 120.200 0.200 0.000 2.478 54 E HA -0.061 4.289 4.350 -0.000 0.000 0.198 54 E C 1.990 178.586 176.600 -0.007 0.000 1.046 54 E CA 0.647 57.118 56.400 0.118 0.000 0.870 54 E CB 0.054 29.905 29.700 0.252 0.000 0.818 54 E HN 0.900 nan 8.360 nan 0.000 0.527 55 G N 0.886 109.588 108.800 -0.163 0.000 2.471 55 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.219 55 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.219 55 G C 1.431 176.130 174.900 -0.335 0.000 1.125 55 G CA 0.031 44.988 45.100 -0.238 0.000 0.775 55 G HN 0.213 nan 8.290 nan 0.000 0.548 56 L N 0.597 121.539 121.223 -0.467 0.000 2.627 56 L HA 0.150 4.490 4.340 -0.000 0.000 0.233 56 L C 0.695 177.507 176.870 -0.096 0.000 1.144 56 L CA -0.389 54.280 54.840 -0.286 0.000 0.892 56 L CB -0.473 41.398 42.059 -0.313 0.000 1.039 56 L HN 0.097 nan 8.230 nan 0.000 0.442 57 N N 0.915 119.589 118.700 -0.043 0.000 2.444 57 N HA 0.056 4.796 4.740 -0.000 0.000 0.255 57 N C -1.468 174.073 175.510 0.051 0.000 1.255 57 N CA -1.005 52.073 53.050 0.047 0.000 0.933 57 N CB 1.076 39.613 38.487 0.083 0.000 1.143 57 N HN -0.205 nan 8.380 nan 0.000 0.453 58 P HA -0.194 nan 4.420 nan 0.000 0.219 58 P C 1.012 178.346 177.300 0.056 0.000 1.158 58 P CA 2.270 65.406 63.100 0.060 0.000 0.895 58 P CB 0.060 31.782 31.700 0.037 0.000 0.792 59 T N -6.627 107.967 114.554 0.067 0.000 3.069 59 T HA 0.441 4.791 4.350 -0.000 0.000 0.252 59 T C 1.286 176.030 174.700 0.072 0.000 1.053 59 T CA 0.311 62.475 62.100 0.106 0.000 0.964 59 T CB -0.299 68.631 68.868 0.104 0.000 1.005 59 T HN 0.281 nan 8.240 nan 0.000 0.532 60 G N 0.392 109.213 108.800 0.034 0.000 2.141 60 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.231 60 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.231 60 G C 0.018 174.914 174.900 -0.006 0.000 0.984 60 G CA 0.152 45.253 45.100 0.001 0.000 0.660 60 G HN 1.209 nan 8.290 nan 0.000 0.525 61 S N -1.233 114.461 115.700 -0.010 0.000 2.556 61 S HA 0.642 5.112 4.470 -0.000 0.000 0.271 61 S C 0.929 175.497 174.600 -0.053 0.000 1.135 61 S CA 0.179 58.346 58.200 -0.055 0.000 0.858 61 S CB 0.666 63.761 63.200 -0.176 0.000 1.114 61 S HN 1.353 nan 8.310 nan 0.000 0.468 62 F N 2.665 122.649 119.950 0.058 0.000 2.333 62 F HA 0.250 4.776 4.527 -0.000 0.000 0.300 62 F C 1.797 177.622 175.800 0.043 0.000 1.083 62 F CA 0.692 58.729 58.000 0.062 0.000 1.395 62 F CB -0.468 38.588 39.000 0.094 0.000 1.056 62 F HN 0.452 nan 8.300 nan 0.000 0.529 63 K N 1.078 121.010 120.400 -0.780 0.000 2.228 63 K HA -0.204 4.115 4.320 -0.000 0.000 0.205 63 K C 1.358 177.855 176.600 -0.173 0.000 1.045 63 K CA 1.546 57.533 56.287 -0.499 0.000 0.931 63 K CB -0.766 31.462 32.500 -0.453 0.000 0.727 63 K HN 0.401 nan 8.250 nan 0.000 0.458 64 D N 0.663 121.021 120.400 -0.070 0.000 2.182 64 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 64 D C 1.965 178.188 176.300 -0.127 0.000 0.986 64 D CA 0.927 54.930 54.000 0.005 0.000 0.847 64 D CB -0.137 40.793 40.800 0.217 0.000 0.942 64 D HN 0.245 nan 8.370 nan 0.000 0.467 65 R N 0.020 120.516 120.500 -0.007 0.000 2.105 65 R HA -0.055 4.284 4.340 -0.000 0.000 0.239 65 R C 2.332 178.586 176.300 -0.076 0.000 1.135 65 R CA 1.329 57.428 56.100 -0.001 0.000 0.967 65 R CB -0.356 29.984 30.300 0.067 0.000 0.861 65 R HN 0.190 nan 8.270 nan 0.000 0.442 66 G N -0.132 108.621 108.800 -0.078 0.000 2.426 66 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.214 66 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.214 66 G C 1.351 176.147 174.900 -0.173 0.000 1.156 66 G CA 0.016 45.069 45.100 -0.077 0.000 0.802 66 G HN 0.026 nan 8.290 nan 0.000 0.534 67 M N 0.949 120.360 119.600 -0.315 0.000 2.254 67 M HA 0.010 4.490 4.480 -0.000 0.000 0.265 67 M C 2.621 178.488 176.300 -0.722 0.000 1.066 67 M CA 1.233 56.264 55.300 -0.449 0.000 1.123 67 M CB -1.313 31.027 32.600 -0.432 0.000 1.388 67 M HN 0.290 nan 8.290 nan 0.000 0.425 68 T N 0.780 114.750 114.554 -0.973 0.000 2.720 68 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 68 T C 1.778 176.303 174.700 -0.290 0.000 1.037 68 T CA 1.321 63.006 62.100 -0.692 0.000 1.144 68 T CB -0.063 68.597 68.868 -0.347 0.000 0.864 68 T HN 0.233 nan 8.240 nan 0.000 0.444 69 L N 1.106 122.194 121.223 -0.225 0.000 2.044 69 L HA 0.321 4.661 4.340 -0.000 0.000 0.205 69 L C 2.747 179.499 176.870 -0.196 0.000 1.075 69 L CA 2.019 56.756 54.840 -0.171 0.000 0.747 69 L CB -1.259 40.744 42.059 -0.092 0.000 0.903 69 L HN 0.292 nan 8.230 nan 0.000 0.435 70 A N -0.513 122.244 122.820 -0.106 0.000 1.908 70 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 70 A C 2.152 179.703 177.584 -0.056 0.000 1.181 70 A CA 2.251 54.282 52.037 -0.010 0.000 0.627 70 A CB -0.808 18.211 19.000 0.031 0.000 0.818 70 A HN 0.433 nan 8.150 nan 0.000 0.445 71 I N -0.354 120.164 120.570 -0.087 0.000 2.406 71 I HA -0.105 4.065 4.170 -0.000 0.000 0.249 71 I C 2.608 178.691 176.117 -0.057 0.000 1.122 71 I CA 1.411 62.686 61.300 -0.041 0.000 1.431 71 I CB -0.343 37.667 38.000 0.017 0.000 1.087 71 I HN 0.173 nan 8.210 nan 0.000 0.424 72 S N 0.322 115.966 115.700 -0.094 0.000 2.368 72 S HA -0.148 4.322 4.470 -0.000 0.000 0.225 72 S C 1.997 176.515 174.600 -0.137 0.000 1.030 72 S CA 1.110 59.249 58.200 -0.102 0.000 0.999 72 S CB -0.142 62.986 63.200 -0.120 0.000 0.844 72 S HN 0.301 nan 8.310 nan 0.000 0.459 73 K N 1.650 121.915 120.400 -0.226 0.000 2.148 73 K HA 0.160 4.480 4.320 -0.000 0.000 0.204 73 K C 2.213 178.745 176.600 -0.114 0.000 1.050 73 K CA 1.012 57.129 56.287 -0.282 0.000 0.942 73 K CB -0.674 31.400 32.500 -0.710 0.000 0.724 73 K HN 0.358 nan 8.250 nan 0.000 0.446 74 A N 1.056 123.840 122.820 -0.060 0.000 1.898 74 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 74 A C 2.475 180.055 177.584 -0.006 0.000 1.181 74 A CA 1.402 53.439 52.037 0.000 0.000 0.620 74 A CB -0.561 18.448 19.000 0.014 0.000 0.819 74 A HN 0.047 nan 8.150 nan 0.000 0.442 75 V N 0.077 119.977 119.914 -0.023 0.000 2.358 75 V HA -0.257 3.862 4.120 -0.000 0.000 0.246 75 V C 2.499 178.582 176.094 -0.020 0.000 1.047 75 V CA 2.198 64.487 62.300 -0.018 0.000 1.035 75 V CB -0.740 31.068 31.823 -0.025 0.000 0.658 75 V HN 0.778 nan 8.190 nan 0.000 0.452 76 E N 0.481 120.659 120.200 -0.037 0.000 2.160 76 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 76 E C 1.965 178.556 176.600 -0.014 0.000 0.991 76 E CA 1.387 57.766 56.400 -0.035 0.000 0.810 76 E CB -0.152 29.512 29.700 -0.060 0.000 0.742 76 E HN 0.591 nan 8.360 nan 0.000 0.466 77 A N -0.210 122.608 122.820 -0.004 0.000 2.251 77 A HA 0.259 4.579 4.320 -0.000 0.000 0.209 77 A C 1.624 179.221 177.584 0.023 0.000 1.187 77 A CA 0.858 52.906 52.037 0.018 0.000 0.823 77 A CB -0.221 18.801 19.000 0.038 0.000 0.846 77 A HN 0.452 nan 8.150 nan 0.000 0.486 78 G N -0.362 108.447 108.800 0.016 0.000 2.136 78 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.242 78 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.242 78 G C 0.068 174.989 174.900 0.035 0.000 0.989 78 G CA 0.270 45.384 45.100 0.022 0.000 0.682 78 G HN 0.393 nan 8.290 nan 0.000 0.522 79 K N -0.081 120.341 120.400 0.038 0.000 2.355 79 K HA 0.294 4.614 4.320 -0.000 0.000 0.270 79 K C 1.440 178.068 176.600 0.046 0.000 1.003 79 K CA -0.215 56.104 56.287 0.053 0.000 0.957 79 K CB 0.615 33.148 32.500 0.055 0.000 0.939 79 K HN 0.423 nan 8.250 nan 0.000 0.482 80 R N 0.342 120.880 120.500 0.064 0.000 2.290 80 R HA 0.185 4.525 4.340 -0.000 0.000 0.197 80 R C 0.322 176.643 176.300 0.035 0.000 0.913 80 R CA 0.186 56.318 56.100 0.054 0.000 1.040 80 R CB 0.525 30.871 30.300 0.077 0.000 0.992 80 R HN 0.645 nan 8.270 nan 0.000 0.500 81 A N 0.212 123.059 122.820 0.045 0.000 2.564 81 A HA 0.553 4.872 4.320 -0.000 0.000 0.291 81 A C -1.249 176.341 177.584 0.010 0.000 1.102 81 A CA -0.720 51.303 52.037 -0.024 0.000 0.660 81 A CB 1.101 20.085 19.000 -0.027 0.000 1.283 81 A HN -0.043 nan 8.150 nan 0.000 0.430 82 V N -1.340 118.544 119.914 -0.050 0.000 3.001 82 V HA 0.950 5.070 4.120 -0.000 0.000 0.314 82 V C -0.350 175.775 176.094 0.050 0.000 1.099 82 V CA -0.721 61.587 62.300 0.012 0.000 0.989 82 V CB 1.652 33.469 31.823 -0.009 0.000 1.040 82 V HN 1.387 nan 8.190 nan 0.000 0.434 83 I N 2.274 122.900 120.570 0.093 0.000 2.841 83 I HA 0.806 4.976 4.170 -0.000 0.000 0.298 83 I C -0.792 175.377 176.117 0.087 0.000 1.304 83 I CA -0.178 61.203 61.300 0.135 0.000 1.019 83 I CB 1.879 40.001 38.000 0.202 0.000 1.282 83 I HN 1.353 nan 8.210 nan 0.000 0.432 84 C N 3.754 123.105 119.300 0.085 0.000 3.314 84 C HA 0.938 5.398 4.460 -0.000 0.000 0.344 84 C C -0.354 174.679 174.990 0.072 0.000 1.461 84 C CA -0.103 58.951 59.018 0.060 0.000 1.249 84 C CB 1.209 28.969 27.740 0.035 0.000 1.632 84 C HN 0.998 nan 8.230 nan 0.000 0.452 85 A N 0.873 123.731 122.820 0.063 0.000 3.129 85 A HA 0.710 5.030 4.320 -0.000 0.000 0.282 85 A C -0.001 177.630 177.584 0.078 0.000 0.948 85 A CA 0.364 52.453 52.037 0.088 0.000 1.027 85 A CB -0.386 18.677 19.000 0.106 0.000 1.123 85 A HN 1.442 nan 8.150 nan 0.000 0.485 86 S N -0.191 115.544 115.700 0.059 0.000 2.537 86 S HA 0.552 5.022 4.470 -0.000 0.000 0.301 86 S C 0.954 175.589 174.600 0.058 0.000 1.092 86 S CA 0.397 58.623 58.200 0.043 0.000 1.048 86 S CB 1.253 64.462 63.200 0.015 0.000 1.053 86 S HN 0.817 nan 8.310 nan 0.000 0.501 87 T N 0.956 115.544 114.554 0.057 0.000 3.176 87 T HA 0.495 4.845 4.350 -0.000 0.000 0.263 87 T C 0.711 175.433 174.700 0.037 0.000 1.021 87 T CA 0.085 62.220 62.100 0.059 0.000 0.905 87 T CB 0.025 68.942 68.868 0.082 0.000 1.057 87 T HN 0.637 nan 8.240 nan 0.000 0.558 88 G N 1.038 109.852 108.800 0.023 0.000 3.212 88 G HA2 0.359 4.319 3.960 -0.000 0.000 0.188 88 G HA3 0.359 4.319 3.960 -0.000 0.000 0.188 88 G C 0.421 175.322 174.900 0.003 0.000 1.254 88 G CA -0.641 44.464 45.100 0.009 0.000 0.957 88 G HN 0.099 nan 8.290 nan 0.000 0.596 89 N N 0.033 118.721 118.700 -0.021 0.000 2.289 89 N HA -0.094 4.646 4.740 -0.000 0.000 0.184 89 N C 2.207 177.688 175.510 -0.049 0.000 1.016 89 N CA 1.528 54.555 53.050 -0.039 0.000 0.872 89 N CB -0.383 38.049 38.487 -0.092 0.000 0.973 89 N HN 0.384 nan 8.380 nan 0.000 0.433 90 T N 0.083 114.604 114.554 -0.055 0.000 2.674 90 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 90 T C 2.075 176.768 174.700 -0.012 0.000 1.039 90 T CA 1.579 63.647 62.100 -0.054 0.000 1.150 90 T CB -0.406 68.433 68.868 -0.048 0.000 0.864 90 T HN 0.264 nan 8.240 nan 0.000 0.427 91 S N 0.758 116.466 115.700 0.012 0.000 2.368 91 S HA -0.081 4.389 4.470 -0.000 0.000 0.225 91 S C 2.360 177.003 174.600 0.071 0.000 1.030 91 S CA 1.381 59.605 58.200 0.040 0.000 0.999 91 S CB -0.541 62.689 63.200 0.050 0.000 0.844 91 S HN 0.509 nan 8.310 nan 0.000 0.459 92 A N 0.436 123.311 122.820 0.092 0.000 1.877 92 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 92 A C 2.441 180.097 177.584 0.121 0.000 1.186 92 A CA 2.144 54.298 52.037 0.194 0.000 0.620 92 A CB -1.462 17.652 19.000 0.191 0.000 0.822 92 A HN 0.595 nan 8.150 nan 0.000 0.443 93 S N -0.442 115.290 115.700 0.053 0.000 2.356 93 S HA -0.059 4.411 4.470 -0.000 0.000 0.223 93 S C 2.221 176.869 174.600 0.079 0.000 1.032 93 S CA 1.659 59.890 58.200 0.050 0.000 1.005 93 S CB -0.537 62.675 63.200 0.021 0.000 0.867 93 S HN 0.848 nan 8.310 nan 0.000 0.449 94 A N 1.294 124.137 122.820 0.037 0.000 1.940 94 A HA 0.117 4.437 4.320 -0.000 0.000 0.219 94 A C 2.434 180.024 177.584 0.010 0.000 1.176 94 A CA 2.000 54.057 52.037 0.033 0.000 0.631 94 A CB -1.326 17.680 19.000 0.010 0.000 0.814 94 A HN 0.761 nan 8.150 nan 0.000 0.446 95 A N -0.220 122.595 122.820 -0.010 0.000 1.898 95 A HA 0.198 4.518 4.320 -0.000 0.000 0.216 95 A C 2.521 179.979 177.584 -0.209 0.000 1.181 95 A CA 1.998 54.018 52.037 -0.028 0.000 0.620 95 A CB -1.041 18.036 19.000 0.127 0.000 0.819 95 A HN 1.053 nan 8.150 nan 0.000 0.442 96 A N -1.217 121.257 122.820 -0.577 0.000 1.883 96 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 96 A C 2.094 179.356 177.584 -0.538 0.000 1.186 96 A CA 1.683 53.139 52.037 -0.969 0.000 0.624 96 A CB -0.892 17.348 19.000 -1.268 0.000 0.822 96 A HN 0.594 nan 8.150 nan 0.000 0.444 97 Y N -0.215 119.930 120.300 -0.258 0.000 2.293 97 Y HA -0.013 4.537 4.550 -0.000 0.000 0.291 97 Y C 2.846 178.672 175.900 -0.123 0.000 1.137 97 Y CA 0.790 58.797 58.100 -0.156 0.000 1.202 97 Y CB -0.350 38.039 38.460 -0.119 0.000 0.990 97 Y HN 0.345 nan 8.280 nan 0.000 0.537 98 A N 0.103 122.918 122.820 -0.009 0.000 1.873 98 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 98 A C 2.450 179.996 177.584 -0.062 0.000 1.186 98 A CA 1.699 53.714 52.037 -0.037 0.000 0.616 98 A CB -1.231 17.731 19.000 -0.064 0.000 0.823 98 A HN 0.385 nan 8.150 nan 0.000 0.442 99 A N -0.098 122.668 122.820 -0.089 0.000 1.883 99 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 99 A C 2.187 179.727 177.584 -0.073 0.000 1.186 99 A CA 2.267 54.262 52.037 -0.070 0.000 0.624 99 A CB -0.473 18.494 19.000 -0.056 0.000 0.822 99 A HN 0.467 nan 8.150 nan 0.000 0.444 100 R N 0.130 120.561 120.500 -0.116 0.000 2.120 100 R HA -0.001 4.339 4.340 -0.000 0.000 0.234 100 R C 1.796 178.066 176.300 -0.051 0.000 1.123 100 R CA 1.778 57.817 56.100 -0.101 0.000 0.975 100 R CB -0.653 29.538 30.300 -0.180 0.000 0.866 100 R HN 0.396 nan 8.270 nan 0.000 0.446 101 A N -1.116 121.683 122.820 -0.035 0.000 2.218 101 A HA 0.331 4.651 4.320 -0.000 0.000 0.209 101 A C 1.325 178.896 177.584 -0.022 0.000 1.168 101 A CA 0.518 52.544 52.037 -0.018 0.000 0.804 101 A CB -0.371 18.627 19.000 -0.003 0.000 0.834 101 A HN 0.528 nan 8.150 nan 0.000 0.482 102 G N -0.931 107.852 108.800 -0.029 0.000 2.160 102 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.244 102 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.244 102 G C -0.033 174.850 174.900 -0.029 0.000 1.022 102 G CA 0.485 45.570 45.100 -0.025 0.000 0.741 102 G HN 0.455 nan 8.290 nan 0.000 0.508 103 L N -0.681 120.516 121.223 -0.042 0.000 2.332 103 L HA 0.742 5.081 4.340 -0.000 0.000 0.269 103 L C 0.846 177.651 176.870 -0.109 0.000 1.016 103 L CA -1.476 53.329 54.840 -0.059 0.000 0.809 103 L CB 0.973 43.001 42.059 -0.051 0.000 1.280 103 L HN -0.056 nan 8.230 nan 0.000 0.447 104 R N 0.862 121.257 120.500 -0.176 0.000 2.528 104 R HA 0.724 5.064 4.340 -0.000 0.000 0.271 104 R C -0.665 175.337 176.300 -0.496 0.000 1.056 104 R CA -0.610 55.285 56.100 -0.341 0.000 1.117 104 R CB 1.339 31.377 30.300 -0.437 0.000 1.085 104 R HN 0.721 nan 8.270 nan 0.000 0.530 105 A N 2.247 124.738 122.820 -0.549 0.000 2.359 105 A HA 0.617 4.937 4.320 -0.000 0.000 0.303 105 A C -1.564 175.769 177.584 -0.418 0.000 1.066 105 A CA -0.635 51.162 52.037 -0.400 0.000 0.730 105 A CB 0.812 19.723 19.000 -0.149 0.000 1.211 105 A HN 0.550 nan 8.150 nan 0.000 0.439 106 Y N 0.852 121.164 120.300 0.019 0.000 2.393 106 Y HA 0.592 5.142 4.550 -0.000 0.000 0.341 106 Y C -0.083 175.832 175.900 0.024 0.000 0.988 106 Y CA -1.229 56.880 58.100 0.015 0.000 1.078 106 Y CB 2.211 40.672 38.460 0.002 0.000 1.203 106 Y HN 0.365 nan 8.280 nan 0.000 0.453 107 V N 5.060 125.088 119.914 0.189 0.000 2.447 107 V HA 0.359 4.478 4.120 -0.000 0.000 0.292 107 V C -1.034 175.121 176.094 0.102 0.000 1.021 107 V CA -0.687 61.686 62.300 0.121 0.000 0.850 107 V CB 1.447 33.325 31.823 0.091 0.000 1.005 107 V HN 0.439 nan 8.190 nan 0.000 0.426 108 L N 6.670 127.949 121.223 0.093 0.000 2.280 108 L HA 0.686 5.026 4.340 -0.000 0.000 0.287 108 L C -0.377 176.543 176.870 0.083 0.000 1.023 108 L CA 0.172 55.055 54.840 0.072 0.000 0.819 108 L CB 1.260 43.355 42.059 0.060 0.000 1.212 108 L HN 0.482 nan 8.230 nan 0.000 0.420 109 L N 4.756 126.018 121.223 0.066 0.000 2.393 109 L HA 0.642 4.982 4.340 -0.000 0.000 0.260 109 L C -2.386 174.486 176.870 0.003 0.000 1.002 109 L CA -1.982 52.903 54.840 0.075 0.000 0.818 109 L CB 2.531 44.642 42.059 0.086 0.000 1.369 109 L HN 0.349 nan 8.230 nan 0.000 0.412 110 P HA 0.038 nan 4.420 nan 0.000 0.271 110 P C -0.078 177.146 177.300 -0.126 0.000 1.220 110 P CA -0.214 62.782 63.100 -0.174 0.000 0.768 110 P CB 1.028 32.469 31.700 -0.430 0.000 0.848 111 K N 2.517 122.866 120.400 -0.085 0.000 2.362 111 K HA -0.069 4.251 4.320 -0.000 0.000 0.202 111 K C 1.192 177.750 176.600 -0.070 0.000 1.045 111 K CA 1.020 57.273 56.287 -0.058 0.000 0.936 111 K CB -0.323 32.152 32.500 -0.043 0.000 0.747 111 K HN 0.671 nan 8.250 nan 0.000 0.467 116 I N 1.668 122.244 120.570 0.011 0.000 2.567 116 I HA -0.056 4.114 4.170 -0.000 0.000 0.257 116 I C 1.839 177.959 176.117 0.005 0.000 1.184 116 I CA 2.127 63.432 61.300 0.008 0.000 1.451 116 I CB 0.029 38.031 38.000 0.004 0.000 1.089 116 I HN 0.855 nan 8.210 nan 0.000 0.441 117 G N 0.588 109.392 108.800 0.006 0.000 2.470 117 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 117 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 117 G C 1.600 176.502 174.900 0.004 0.000 1.121 117 G CA 0.387 45.489 45.100 0.003 0.000 0.766 117 G HN 0.399 nan 8.290 nan 0.000 0.553 118 K N -0.400 120.006 120.400 0.010 0.000 2.426 118 K HA 0.277 4.597 4.320 -0.000 0.000 0.193 118 K C 1.467 178.077 176.600 0.017 0.000 1.028 118 K CA 0.167 56.462 56.287 0.014 0.000 1.047 118 K CB 0.166 32.679 32.500 0.022 0.000 0.821 118 K HN 0.324 nan 8.250 nan 0.000 0.513 119 L N -0.309 120.922 121.223 0.013 0.000 2.817 119 L HA 0.073 4.413 4.340 -0.000 0.000 0.248 119 L C 2.000 178.867 176.870 -0.004 0.000 1.133 119 L CA 0.022 54.871 54.840 0.015 0.000 0.935 119 L CB 0.206 42.279 42.059 0.023 0.000 1.266 119 L HN 0.059 nan 8.230 nan 0.000 0.535 120 S N 0.063 115.751 115.700 -0.019 0.000 2.383 120 S HA -0.315 4.155 4.470 -0.000 0.000 0.229 120 S C 1.856 176.397 174.600 -0.098 0.000 1.030 120 S CA 1.644 59.816 58.200 -0.046 0.000 1.002 120 S CB -0.292 62.882 63.200 -0.043 0.000 0.829 120 S HN 0.532 nan 8.310 nan 0.000 0.467 121 Q N 1.260 120.995 119.800 -0.107 0.000 2.049 121 Q HA 0.026 4.366 4.340 -0.000 0.000 0.198 121 Q C 2.363 178.215 176.000 -0.246 0.000 0.971 121 Q CA 1.209 56.871 55.803 -0.234 0.000 0.833 121 Q CB -0.541 28.122 28.738 -0.125 0.000 0.896 121 Q HN 0.705 nan 8.270 nan 0.000 0.434 122 A N 0.629 123.450 122.820 0.002 0.000 1.933 122 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 122 A C 2.041 179.667 177.584 0.069 0.000 1.175 122 A CA 1.563 53.684 52.037 0.139 0.000 0.628 122 A CB -0.505 18.560 19.000 0.109 0.000 0.814 122 A HN 0.461 nan 8.150 nan 0.000 0.444 123 M N -1.059 118.538 119.600 -0.004 0.000 2.175 123 M HA -0.010 4.470 4.480 -0.000 0.000 0.264 123 M C 2.216 178.492 176.300 -0.040 0.000 1.063 123 M CA 1.431 56.726 55.300 -0.007 0.000 1.119 123 M CB -0.343 32.250 32.600 -0.012 0.000 1.377 123 M HN 0.516 nan 8.290 nan 0.000 0.415 124 I N -0.497 119.993 120.570 -0.133 0.000 2.493 124 I HA -0.278 3.892 4.170 -0.000 0.000 0.254 124 I C 1.784 177.834 176.117 -0.112 0.000 1.160 124 I CA 1.197 62.402 61.300 -0.158 0.000 1.445 124 I CB -0.012 37.839 38.000 -0.249 0.000 1.086 124 I HN 0.167 nan 8.210 nan 0.000 0.433 125 Y N 1.315 121.602 120.300 -0.022 0.000 2.403 125 Y HA -0.025 4.524 4.550 -0.000 0.000 0.291 125 Y C 2.043 177.921 175.900 -0.035 0.000 1.143 125 Y CA 0.795 58.875 58.100 -0.033 0.000 1.257 125 Y CB -0.655 37.785 38.460 -0.034 0.000 0.984 125 Y HN 0.404 nan 8.280 nan 0.000 0.550 126 G N -1.619 107.246 108.800 0.108 0.000 2.192 126 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.193 126 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.193 126 G C 0.330 175.247 174.900 0.028 0.000 0.999 126 G CA -0.315 44.814 45.100 0.049 0.000 0.659 126 G HN 0.565 nan 8.290 nan 0.000 0.503 127 A N 0.634 123.483 122.820 0.049 0.000 2.511 127 A HA 0.527 4.847 4.320 -0.000 0.000 0.242 127 A C 0.474 178.085 177.584 0.045 0.000 1.069 127 A CA 0.456 52.511 52.037 0.029 0.000 0.763 127 A CB 0.332 19.366 19.000 0.057 0.000 1.001 127 A HN 0.179 nan 8.150 nan 0.000 0.498 128 K N 2.594 123.036 120.400 0.071 0.000 2.268 128 K HA 0.386 4.706 4.320 -0.000 0.000 0.276 128 K C -0.847 175.831 176.600 0.130 0.000 1.080 128 K CA -0.296 56.065 56.287 0.123 0.000 0.910 128 K CB 1.008 33.642 32.500 0.222 0.000 1.163 128 K HN 0.341 nan 8.250 nan 0.000 0.465 129 V N 5.094 125.057 119.914 0.082 0.000 2.407 129 V HA 0.377 4.497 4.120 -0.000 0.000 0.278 129 V C 0.306 176.431 176.094 0.052 0.000 1.037 129 V CA -0.822 61.520 62.300 0.070 0.000 0.900 129 V CB 1.035 32.889 31.823 0.052 0.000 0.983 129 V HN 0.505 nan 8.190 nan 0.000 0.459 130 L N 4.033 125.284 121.223 0.047 0.000 2.329 130 L HA 0.726 5.066 4.340 -0.000 0.000 0.279 130 L C 0.389 177.269 176.870 0.017 0.000 1.014 130 L CA -0.695 54.159 54.840 0.024 0.000 0.814 130 L CB 1.842 43.908 42.059 0.010 0.000 1.257 130 L HN 0.701 nan 8.230 nan 0.000 0.424 131 A N 5.052 127.875 122.820 0.006 0.000 2.478 131 A HA 0.442 4.762 4.320 -0.000 0.000 0.327 131 A C -0.027 177.549 177.584 -0.014 0.000 1.431 131 A CA -0.529 51.506 52.037 -0.004 0.000 1.014 131 A CB -0.307 18.689 19.000 -0.007 0.000 1.143 131 A HN 0.473 nan 8.150 nan 0.000 0.532 132 I N 1.959 122.519 120.570 -0.017 0.000 2.533 132 I HA -0.008 4.162 4.170 -0.000 0.000 0.284 132 I C 0.823 176.918 176.117 -0.037 0.000 1.109 132 I CA 0.522 61.809 61.300 -0.022 0.000 1.412 132 I CB 0.363 38.353 38.000 -0.016 0.000 1.396 132 I HN 0.661 nan 8.210 nan 0.000 0.543 133 Q N 5.126 124.909 119.800 -0.030 0.000 3.179 133 Q HA 0.353 4.693 4.340 -0.000 0.000 0.328 133 Q C 0.604 176.581 176.000 -0.037 0.000 1.336 133 Q CA -0.242 55.541 55.803 -0.034 0.000 0.939 133 Q CB 0.345 29.069 28.738 -0.023 0.000 1.658 133 Q HN 0.912 nan 8.270 nan 0.000 0.486 134 G N -0.211 108.556 108.800 -0.054 0.000 2.753 134 G HA2 0.383 4.343 3.960 -0.000 0.000 0.303 134 G HA3 0.383 4.343 3.960 -0.000 0.000 0.303 134 G C -0.529 174.311 174.900 -0.100 0.000 1.242 134 G CA -0.345 44.722 45.100 -0.055 0.000 0.810 134 G HN 0.241 nan 8.290 nan 0.000 0.515 135 T N -2.248 112.257 114.554 -0.082 0.000 2.892 135 T HA 0.520 4.870 4.350 -0.000 0.000 0.280 135 T C 0.842 175.483 174.700 -0.099 0.000 1.004 135 T CA -0.318 61.702 62.100 -0.134 0.000 0.950 135 T CB 0.838 69.684 68.868 -0.037 0.000 1.309 135 T HN 0.114 nan 8.240 nan 0.000 0.592 136 F N 0.905 120.870 119.950 0.025 0.000 2.134 136 F HA 0.016 4.542 4.527 -0.000 0.000 0.299 136 F C 2.460 178.279 175.800 0.032 0.000 1.097 136 F CA 1.272 59.289 58.000 0.029 0.000 1.264 136 F CB -0.687 38.333 39.000 0.033 0.000 1.001 136 F HN 0.544 nan 8.300 nan 0.000 0.479 137 D N -0.005 120.529 120.400 0.223 0.000 2.144 137 D HA -0.149 4.491 4.640 -0.000 0.000 0.200 137 D C 1.768 178.127 176.300 0.097 0.000 0.978 137 D CA 1.249 55.333 54.000 0.139 0.000 0.833 137 D CB -0.334 40.530 40.800 0.107 0.000 0.961 137 D HN 0.287 nan 8.370 nan 0.000 0.470 138 D N 1.030 121.474 120.400 0.074 0.000 2.084 138 D HA -0.129 4.511 4.640 -0.000 0.000 0.194 138 D C 2.089 178.422 176.300 0.055 0.000 0.990 138 D CA 1.210 55.239 54.000 0.047 0.000 0.826 138 D CB -0.210 40.603 40.800 0.021 0.000 0.971 138 D HN 0.111 nan 8.370 nan 0.000 0.453 139 A N 0.940 123.800 122.820 0.068 0.000 1.902 139 A HA -0.130 4.189 4.320 -0.000 0.000 0.217 139 A C 2.470 180.108 177.584 0.089 0.000 1.181 139 A CA 0.967 53.050 52.037 0.076 0.000 0.623 139 A CB -0.808 18.251 19.000 0.098 0.000 0.818 139 A HN 0.188 nan 8.150 nan 0.000 0.443 140 L N -0.353 120.936 121.223 0.110 0.000 2.093 140 L HA -0.177 4.162 4.340 -0.000 0.000 0.208 140 L C 2.273 179.189 176.870 0.076 0.000 1.085 140 L CA 1.123 56.020 54.840 0.096 0.000 0.755 140 L CB -0.597 41.524 42.059 0.103 0.000 0.904 140 L HN 0.393 nan 8.230 nan 0.000 0.435 141 N N 0.234 118.976 118.700 0.070 0.000 2.244 141 N HA -0.087 4.653 4.740 -0.000 0.000 0.183 141 N C 1.911 177.454 175.510 0.054 0.000 1.016 141 N CA 1.213 54.298 53.050 0.058 0.000 0.866 141 N CB 0.002 38.520 38.487 0.050 0.000 0.980 141 N HN 0.355 nan 8.380 nan 0.000 0.430 142 I N 0.494 121.095 120.570 0.053 0.000 2.315 142 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 142 I C 2.045 178.196 176.117 0.057 0.000 1.117 142 I CA 0.652 61.981 61.300 0.048 0.000 1.404 142 I CB -0.146 37.875 38.000 0.036 0.000 1.071 142 I HN -0.109 nan 8.210 nan 0.000 0.419 143 V N 0.962 120.913 119.914 0.061 0.000 2.295 143 V HA -0.282 3.837 4.120 -0.000 0.000 0.246 143 V C 2.644 178.783 176.094 0.074 0.000 1.049 143 V CA 1.959 64.300 62.300 0.069 0.000 1.024 143 V CB -0.792 31.074 31.823 0.072 0.000 0.648 143 V HN 0.428 nan 8.190 nan 0.000 0.447 144 R N 0.155 120.695 120.500 0.067 0.000 2.073 144 R HA -0.179 4.161 4.340 -0.000 0.000 0.234 144 R C 2.442 178.781 176.300 0.065 0.000 1.134 144 R CA 1.484 57.622 56.100 0.062 0.000 0.952 144 R CB -0.164 30.169 30.300 0.055 0.000 0.850 144 R HN 0.333 nan 8.270 nan 0.000 0.433 145 K N 0.631 121.070 120.400 0.065 0.000 2.063 145 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 145 K C 2.141 178.804 176.600 0.106 0.000 1.048 145 K CA 1.462 57.790 56.287 0.067 0.000 0.928 145 K CB -0.367 32.172 32.500 0.065 0.000 0.713 145 K HN 0.351 nan 8.250 nan 0.000 0.442 146 I N 0.510 121.164 120.570 0.140 0.000 2.226 146 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 146 I C 2.433 178.694 176.117 0.239 0.000 1.100 146 I CA 1.450 62.895 61.300 0.242 0.000 1.374 146 I CB -0.664 37.419 38.000 0.137 0.000 1.057 146 I HN 0.235 nan 8.210 nan 0.000 0.413 147 G N 0.182 109.069 108.800 0.145 0.000 2.432 147 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 147 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 147 G C 1.513 176.463 174.900 0.083 0.000 1.135 147 G CA 0.506 45.678 45.100 0.120 0.000 0.767 147 G HN 0.409 nan 8.290 nan 0.000 0.550 148 E N 0.354 120.587 120.200 0.054 0.000 2.107 148 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 148 E C 2.068 178.637 176.600 -0.053 0.000 0.982 148 E CA 0.652 57.056 56.400 0.007 0.000 0.809 148 E CB 0.041 29.742 29.700 0.002 0.000 0.756 148 E HN 0.329 nan 8.360 nan 0.000 0.459 149 N N -0.576 118.063 118.700 -0.102 0.000 2.392 149 N HA 0.067 4.807 4.740 -0.000 0.000 0.177 149 N C -0.430 174.669 175.510 -0.684 0.000 1.066 149 N CA 0.524 53.337 53.050 -0.395 0.000 0.895 149 N CB 0.614 38.794 38.487 -0.512 0.000 0.988 149 N HN -0.019 nan 8.380 nan 0.000 0.457 150 F N 0.206 120.168 119.950 0.021 0.000 2.613 150 F HA 0.371 4.898 4.527 -0.000 0.000 0.314 150 F C -1.944 173.880 175.800 0.040 0.000 1.075 150 F CA -2.177 55.839 58.000 0.027 0.000 0.945 150 F CB 1.624 40.638 39.000 0.024 0.000 1.310 150 F HN -0.232 nan 8.300 nan 0.000 0.467 151 P HA 0.103 nan 4.420 nan 0.000 0.225 151 P C -0.820 176.575 177.300 0.159 0.000 1.768 151 P CA 0.398 63.592 63.100 0.156 0.000 0.943 151 P CB -0.063 31.712 31.700 0.126 0.000 1.936 152 V N 0.803 120.826 119.914 0.181 0.000 2.448 152 V HA 0.257 4.377 4.120 -0.000 0.000 0.295 152 V C 0.400 176.575 176.094 0.135 0.000 1.025 152 V CA -0.737 61.667 62.300 0.173 0.000 0.859 152 V CB 1.915 33.868 31.823 0.217 0.000 0.988 152 V HN 0.081 nan 8.190 nan 0.000 0.431 153 E N 4.166 124.430 120.200 0.106 0.000 2.152 153 E HA 0.378 4.727 4.350 -0.000 0.000 0.285 153 E C -0.452 176.195 176.600 0.079 0.000 1.043 153 E CA -0.136 56.315 56.400 0.086 0.000 0.839 153 E CB 0.724 30.467 29.700 0.072 0.000 1.069 153 E HN 0.573 nan 8.360 nan 0.000 0.399 154 I N 5.266 125.878 120.570 0.071 0.000 2.517 154 I HA -0.006 4.164 4.170 -0.000 0.000 0.285 154 I C 0.615 176.751 176.117 0.031 0.000 1.106 154 I CA -0.192 61.140 61.300 0.054 0.000 1.402 154 I CB 0.693 38.720 38.000 0.045 0.000 1.399 154 I HN 0.468 nan 8.210 nan 0.000 0.535 155 V N 2.356 122.282 119.914 0.021 0.000 3.043 155 V HA 0.312 4.432 4.120 -0.000 0.000 0.357 155 V C 0.658 176.732 176.094 -0.033 0.000 1.372 155 V CA -0.599 61.700 62.300 -0.001 0.000 1.214 155 V CB -0.964 30.861 31.823 0.004 0.000 1.224 155 V HN 0.631 nan 8.190 nan 0.000 0.507 156 N N 1.152 119.824 118.700 -0.047 0.000 2.328 156 N HA 0.220 4.960 4.740 -0.000 0.000 0.277 156 N C 1.537 176.937 175.510 -0.183 0.000 1.286 156 N CA 0.589 53.584 53.050 -0.091 0.000 0.949 156 N CB 0.828 39.270 38.487 -0.075 0.000 1.136 156 N HN 0.294 nan 8.380 nan 0.000 0.550 157 S N 0.015 115.525 115.700 -0.317 0.000 2.419 157 S HA -0.118 4.352 4.470 -0.000 0.000 0.235 157 S C 1.822 176.005 174.600 -0.695 0.000 1.019 157 S CA 0.480 58.331 58.200 -0.583 0.000 0.982 157 S CB -0.224 62.381 63.200 -0.991 0.000 0.789 157 S HN 0.436 nan 8.310 nan 0.000 0.490 158 V N 2.329 121.951 119.914 -0.487 0.000 2.720 158 V HA -0.033 4.087 4.120 -0.000 0.000 0.256 158 V C 0.798 176.816 176.094 -0.126 0.000 1.082 158 V CA 0.941 63.115 62.300 -0.210 0.000 1.101 158 V CB -0.524 31.271 31.823 -0.046 0.000 0.693 158 V HN 0.441 nan 8.190 nan 0.000 0.479 159 N N 1.198 119.816 118.700 -0.137 0.000 2.431 159 N HA 0.093 4.833 4.740 -0.000 0.000 0.265 159 N C -1.331 174.091 175.510 -0.147 0.000 1.184 159 N CA -1.163 51.821 53.050 -0.111 0.000 0.943 159 N CB 1.609 40.071 38.487 -0.042 0.000 1.080 159 N HN 0.292 nan 8.380 nan 0.000 0.477 160 P HA -0.111 nan 4.420 nan 0.000 0.223 160 P C 0.605 177.778 177.300 -0.212 0.000 1.151 160 P CA 1.070 64.017 63.100 -0.254 0.000 0.787 160 P CB 0.058 31.547 31.700 -0.352 0.000 0.788 161 Y N 0.786 121.077 120.300 -0.015 0.000 2.421 161 Y HA -0.015 4.535 4.550 -0.000 0.000 0.292 161 Y C 2.757 178.634 175.900 -0.038 0.000 1.136 161 Y CA 0.543 58.629 58.100 -0.025 0.000 1.255 161 Y CB -1.058 37.383 38.460 -0.032 0.000 0.991 161 Y HN -0.097 nan 8.280 nan 0.000 0.552 162 R N 0.014 120.560 120.500 0.076 0.000 2.070 162 R HA -0.133 4.207 4.340 -0.000 0.000 0.233 162 R C 2.155 178.478 176.300 0.037 0.000 1.137 162 R CA 1.819 57.938 56.100 0.031 0.000 0.945 162 R CB -0.591 29.708 30.300 -0.002 0.000 0.845 162 R HN 0.316 nan 8.270 nan 0.000 0.430 163 I N 0.850 121.439 120.570 0.031 0.000 2.286 163 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 163 I C 2.366 178.478 176.117 -0.008 0.000 1.115 163 I CA 1.044 62.360 61.300 0.027 0.000 1.392 163 I CB -0.184 37.836 38.000 0.033 0.000 1.065 163 I HN 0.178 nan 8.210 nan 0.000 0.418 164 E N 0.801 121.012 120.200 0.019 0.000 2.051 164 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 164 E C 2.241 178.830 176.600 -0.018 0.000 0.991 164 E CA 1.595 58.009 56.400 0.023 0.000 0.799 164 E CB -0.513 29.260 29.700 0.121 0.000 0.748 164 E HN 0.539 nan 8.360 nan 0.000 0.449 165 G N 0.802 109.606 108.800 0.005 0.000 2.408 165 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 165 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 165 G C 1.485 176.333 174.900 -0.086 0.000 1.150 165 G CA 0.460 45.547 45.100 -0.022 0.000 0.776 165 G HN 0.271 nan 8.290 nan 0.000 0.542 166 Q N 0.420 120.177 119.800 -0.072 0.000 2.291 166 Q HA -0.105 4.235 4.340 -0.000 0.000 0.206 166 Q C 2.410 178.194 176.000 -0.361 0.000 0.976 166 Q CA 1.329 57.071 55.803 -0.101 0.000 0.875 166 Q CB -0.133 28.631 28.738 0.044 0.000 0.927 166 Q HN 0.719 nan 8.270 nan 0.000 0.450 167 K N 0.355 120.489 120.400 -0.444 0.000 2.362 167 K HA -0.085 4.234 4.320 -0.000 0.000 0.200 167 K C 1.767 177.604 176.600 -1.272 0.000 1.046 167 K CA 1.607 57.418 56.287 -0.795 0.000 0.952 167 K CB -0.327 31.760 32.500 -0.688 0.000 0.753 167 K HN 0.119 nan 8.250 nan 0.000 0.466 168 T N -1.726 112.278 114.554 -0.917 0.000 2.929 168 T HA 0.022 4.372 4.350 -0.000 0.000 0.271 168 T C 2.116 176.377 174.700 -0.732 0.000 1.085 168 T CA 0.750 62.327 62.100 -0.872 0.000 1.125 168 T CB -0.162 68.587 68.868 -0.198 0.000 0.874 168 T HN 0.312 nan 8.240 nan 0.000 0.494 169 A N 1.650 124.020 122.820 -0.750 0.000 1.933 169 A HA 0.353 4.673 4.320 -0.000 0.000 0.218 169 A C 2.784 179.850 177.584 -0.863 0.000 1.175 169 A CA 1.635 53.260 52.037 -0.687 0.000 0.628 169 A CB -1.267 17.253 19.000 -0.800 0.000 0.814 169 A HN 0.748 nan 8.150 nan 0.000 0.444 170 A N -1.086 120.946 122.820 -1.312 0.000 1.929 170 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 170 A C 1.835 178.919 177.584 -0.832 0.000 1.176 170 A CA 1.242 52.532 52.037 -1.245 0.000 0.628 170 A CB -0.630 17.296 19.000 -1.790 0.000 0.816 170 A HN 0.405 nan 8.150 nan 0.000 0.444 171 F N 0.679 120.017 119.950 -1.019 0.000 2.134 171 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 171 F C 2.353 177.838 175.800 -0.526 0.000 1.097 171 F CA 1.187 58.475 58.000 -1.186 0.000 1.264 171 F CB -1.082 37.002 39.000 -1.527 0.000 1.001 171 F HN 0.365 nan 8.300 nan 0.000 0.479 172 E N 0.195 120.310 120.200 -0.142 0.000 2.072 172 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 172 E C 2.418 179.036 176.600 0.030 0.000 0.985 172 E CA 1.228 57.664 56.400 0.060 0.000 0.801 172 E CB -0.306 29.420 29.700 0.043 0.000 0.750 172 E HN 0.346 nan 8.360 nan 0.000 0.452 173 I N 0.854 121.403 120.570 -0.034 0.000 2.127 173 I HA -0.343 3.827 4.170 -0.000 0.000 0.241 173 I C 2.462 178.626 176.117 0.078 0.000 1.075 173 I CA 0.903 62.228 61.300 0.042 0.000 1.334 173 I CB -0.318 37.746 38.000 0.107 0.000 1.040 173 I HN 0.269 nan 8.210 nan 0.000 0.405 174 C N 0.544 119.901 119.300 0.096 0.000 2.425 174 C HA -0.157 4.302 4.460 -0.000 0.000 0.277 174 C C 2.409 177.536 174.990 0.228 0.000 1.280 174 C CA 0.589 59.727 59.018 0.201 0.000 1.744 174 C CB -1.096 26.818 27.740 0.291 0.000 1.989 174 C HN 0.530 nan 8.230 nan 0.000 0.491 175 D N 0.593 121.138 120.400 0.242 0.000 2.117 175 D HA -0.088 4.552 4.640 -0.000 0.000 0.197 175 D C 2.212 178.602 176.300 0.149 0.000 0.987 175 D CA 1.622 55.769 54.000 0.246 0.000 0.829 175 D CB -0.639 40.337 40.800 0.295 0.000 0.961 175 D HN 0.435 nan 8.370 nan 0.000 0.460 176 T N 1.040 115.658 114.554 0.108 0.000 2.737 176 T HA -0.011 4.339 4.350 -0.000 0.000 0.265 176 T C 2.188 176.910 174.700 0.035 0.000 1.038 176 T CA 0.542 62.681 62.100 0.065 0.000 1.144 176 T CB -0.196 68.698 68.868 0.044 0.000 0.866 176 T HN 0.102 nan 8.240 nan 0.000 0.434 177 L N 0.232 121.454 121.223 -0.001 0.000 2.240 177 L HA 0.172 4.512 4.340 -0.000 0.000 0.211 177 L C 2.208 179.097 176.870 0.032 0.000 1.106 177 L CA 0.820 55.635 54.840 -0.042 0.000 0.793 177 L CB -0.649 41.337 42.059 -0.122 0.000 0.927 177 L HN 0.575 nan 8.230 nan 0.000 0.446 178 G N 0.459 109.305 108.800 0.075 0.000 2.159 178 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.256 178 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.256 178 G C 0.031 174.991 174.900 0.100 0.000 0.977 178 G CA 0.616 45.770 45.100 0.090 0.000 0.652 178 G HN 0.438 nan 8.290 nan 0.000 0.531 179 E N -1.019 119.247 120.200 0.109 0.000 2.422 179 E HA 0.736 5.086 4.350 -0.000 0.000 0.280 179 E C -0.194 176.485 176.600 0.131 0.000 1.091 179 E CA 0.279 56.752 56.400 0.121 0.000 0.849 179 E CB 0.430 30.185 29.700 0.092 0.000 1.353 179 E HN 1.266 nan 8.360 nan 0.000 0.449 180 A N 2.103 125.003 122.820 0.133 0.000 2.279 180 A HA 0.760 5.080 4.320 -0.000 0.000 0.303 180 A C -2.270 175.343 177.584 0.048 0.000 1.108 180 A CA -1.267 50.828 52.037 0.097 0.000 0.830 180 A CB 0.240 19.257 19.000 0.029 0.000 1.106 180 A HN 0.500 nan 8.150 nan 0.000 0.493 181 P HA 0.163 nan 4.420 nan 0.000 0.274 181 P C -0.469 176.875 177.300 0.074 0.000 1.246 181 P CA -0.235 62.933 63.100 0.112 0.000 0.795 181 P CB 0.830 32.654 31.700 0.207 0.000 1.006 182 D N -0.692 119.824 120.400 0.193 0.000 2.194 182 D HA -0.038 4.601 4.640 -0.000 0.000 0.204 182 D C 0.068 176.360 176.300 -0.014 0.000 0.964 182 D CA 1.904 55.982 54.000 0.129 0.000 0.846 182 D CB -0.035 40.977 40.800 0.353 0.000 0.962 182 D HN 0.415 nan 8.370 nan 0.000 0.490 183 Y N -1.366 119.076 120.300 0.236 0.000 2.504 183 Y HA 0.351 4.901 4.550 -0.000 0.000 0.344 183 Y C -0.571 175.498 175.900 0.283 0.000 1.023 183 Y CA -1.120 57.125 58.100 0.242 0.000 1.020 183 Y CB 1.649 40.382 38.460 0.455 0.000 1.282 183 Y HN -0.206 nan 8.280 nan 0.000 0.454 184 H N 2.149 121.345 119.070 0.211 0.000 2.589 184 H HA 0.571 5.127 4.556 -0.000 0.000 0.335 184 H C -1.869 173.529 175.328 0.116 0.000 1.019 184 H CA -1.153 55.035 56.048 0.234 0.000 1.213 184 H CB 0.541 30.443 29.762 0.233 0.000 1.472 184 H HN 0.419 nan 8.280 nan 0.000 0.508 185 F N 5.769 125.457 119.950 -0.437 0.000 2.408 185 F HA 0.433 4.960 4.527 -0.000 0.000 0.344 185 F C -0.099 175.443 175.800 -0.430 0.000 1.112 185 F CA -0.594 57.269 58.000 -0.228 0.000 1.096 185 F CB 0.936 39.862 39.000 -0.124 0.000 1.129 185 F HN 0.448 nan 8.300 nan 0.000 0.486 186 I N 4.939 125.476 120.570 -0.054 0.000 2.775 186 I HA 0.441 4.611 4.170 -0.000 0.000 0.295 186 I C -2.820 173.311 176.117 0.023 0.000 1.287 186 I CA -2.528 58.704 61.300 -0.114 0.000 1.029 186 I CB 2.868 40.723 38.000 -0.242 0.000 1.282 186 I HN 0.265 nan 8.210 nan 0.000 0.426 187 P HA 0.244 nan 4.420 nan 0.000 0.274 187 P C -1.410 175.894 177.300 0.007 0.000 1.231 187 P CA -0.256 62.879 63.100 0.058 0.000 0.790 187 P CB 0.933 32.668 31.700 0.059 0.000 0.951 188 V N 2.290 122.208 119.914 0.006 0.000 2.409 188 V HA 0.518 4.637 4.120 -0.000 0.000 0.290 188 V C 0.836 176.910 176.094 -0.034 0.000 1.017 188 V CA 0.058 62.336 62.300 -0.037 0.000 0.841 188 V CB 1.090 32.853 31.823 -0.100 0.000 1.003 188 V HN 0.804 nan 8.190 nan 0.000 0.426 189 G N 2.581 111.379 108.800 -0.004 0.000 2.534 189 G HA2 0.045 4.004 3.960 -0.000 0.000 0.224 189 G HA3 0.045 4.004 3.960 -0.000 0.000 0.224 189 G C 0.797 175.682 174.900 -0.026 0.000 1.822 189 G CA 0.139 45.234 45.100 -0.008 0.000 0.805 189 G HN 0.517 nan 8.290 nan 0.000 0.649 190 N N 0.802 119.520 118.700 0.029 0.000 2.412 190 N HA 0.151 4.891 4.740 -0.000 0.000 0.184 190 N C 1.459 177.011 175.510 0.070 0.000 1.101 190 N CA 0.951 54.035 53.050 0.057 0.000 0.881 190 N CB 0.779 39.323 38.487 0.094 0.000 0.969 190 N HN 0.560 nan 8.380 nan 0.000 0.459 191 A N -0.794 122.052 122.820 0.043 0.000 3.250 191 A HA -0.165 4.155 4.320 -0.000 0.000 0.256 191 A C 1.687 179.317 177.584 0.077 0.000 1.231 191 A CA 1.292 53.347 52.037 0.030 0.000 1.193 191 A CB -2.291 16.711 19.000 0.003 0.000 1.149 191 A HN 0.391 nan 8.150 nan 0.000 0.930 192 G N -0.211 108.658 108.800 0.115 0.000 2.408 192 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 192 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 192 G C 1.174 176.139 174.900 0.107 0.000 1.150 192 G CA 1.560 46.735 45.100 0.126 0.000 0.776 192 G HN 0.665 nan 8.290 nan 0.000 0.542 193 N N 0.459 119.207 118.700 0.080 0.000 2.106 193 N HA -0.016 4.723 4.740 -0.000 0.000 0.188 193 N C 2.103 177.650 175.510 0.062 0.000 1.029 193 N CA 0.820 53.866 53.050 -0.008 0.000 0.848 193 N CB -0.265 38.009 38.487 -0.355 0.000 1.007 193 N HN 0.360 nan 8.380 nan 0.000 0.423 194 I N 0.107 120.681 120.570 0.006 0.000 2.226 194 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 194 I C 1.465 177.662 176.117 0.134 0.000 1.100 194 I CA 1.205 62.522 61.300 0.028 0.000 1.374 194 I CB -0.334 37.645 38.000 -0.035 0.000 1.057 194 I HN 0.135 nan 8.210 nan 0.000 0.413 195 T N 1.116 115.741 114.554 0.118 0.000 2.684 195 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 195 T C 1.953 176.744 174.700 0.153 0.000 1.036 195 T CA 1.506 63.701 62.100 0.158 0.000 1.148 195 T CB -0.487 68.455 68.868 0.124 0.000 0.863 195 T HN 0.566 nan 8.240 nan 0.000 0.436 196 A N 0.390 123.264 122.820 0.090 0.000 1.883 196 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 196 A C 2.093 179.609 177.584 -0.113 0.000 1.186 196 A CA 1.541 53.565 52.037 -0.023 0.000 0.624 196 A CB -1.110 17.860 19.000 -0.050 0.000 0.822 196 A HN 0.537 nan 8.150 nan 0.000 0.444 197 Y N -1.648 118.530 120.300 -0.203 0.000 2.145 197 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 197 Y C 2.365 178.158 175.900 -0.179 0.000 1.145 197 Y CA 1.458 59.334 58.100 -0.373 0.000 1.148 197 Y CB -0.554 37.739 38.460 -0.279 0.000 0.981 197 Y HN 0.592 nan 8.280 nan 0.000 0.507 198 W N 1.388 122.748 121.300 0.100 0.000 2.317 198 W HA -0.318 4.343 4.660 0.000 0.000 0.318 198 W C 1.928 178.486 176.519 0.066 0.000 1.227 198 W CA 1.878 59.322 57.345 0.165 0.000 1.269 198 W CB -0.192 29.331 29.460 0.105 0.000 1.155 198 W HN 0.076 nan 8.180 nan 0.000 0.484 199 K N -0.287 120.079 120.400 -0.056 0.000 2.074 199 K HA -0.178 4.141 4.320 -0.000 0.000 0.209 199 K C 2.259 178.710 176.600 -0.248 0.000 1.048 199 K CA 1.637 57.806 56.287 -0.198 0.000 0.926 199 K CB -0.930 31.507 32.500 -0.105 0.000 0.713 199 K HN 0.284 nan 8.250 nan 0.000 0.444 200 G N 0.692 109.255 108.800 -0.396 0.000 2.402 200 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 200 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 200 G C 1.232 175.946 174.900 -0.309 0.000 1.162 200 G CA 0.508 45.243 45.100 -0.609 0.000 0.777 200 G HN 0.097 nan 8.290 nan 0.000 0.539 201 F N 1.319 121.138 119.950 -0.217 0.000 2.102 201 F HA 0.050 4.577 4.527 -0.000 0.000 0.298 201 F C 2.705 178.433 175.800 -0.121 0.000 1.105 201 F CA 1.309 59.237 58.000 -0.120 0.000 1.239 201 F CB -0.379 38.599 39.000 -0.037 0.000 0.991 201 F HN 0.052 nan 8.300 nan 0.000 0.474 202 K N -0.141 120.153 120.400 -0.176 0.000 2.103 202 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 202 K C 2.044 178.676 176.600 0.054 0.000 1.048 202 K CA 1.251 57.413 56.287 -0.209 0.000 0.930 202 K CB -0.347 31.855 32.500 -0.496 0.000 0.716 202 K HN 0.173 nan 8.250 nan 0.000 0.444 203 I N 0.238 120.859 120.570 0.085 0.000 2.179 203 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 203 I C 2.231 178.511 176.117 0.271 0.000 1.088 203 I CA 1.636 63.049 61.300 0.189 0.000 1.357 203 I CB -1.048 37.111 38.000 0.266 0.000 1.051 203 I HN 0.134 nan 8.210 nan 0.000 0.409 204 Y N -0.077 120.270 120.300 0.079 0.000 2.274 204 Y HA -0.270 4.280 4.550 -0.000 0.000 0.290 204 Y C 2.656 178.620 175.900 0.107 0.000 1.145 204 Y CA 1.076 59.210 58.100 0.057 0.000 1.203 204 Y CB -1.016 37.499 38.460 0.091 0.000 0.984 204 Y HN 0.176 nan 8.280 nan 0.000 0.533 205 Y N 1.058 121.457 120.300 0.166 0.000 2.163 205 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 205 Y C 2.186 178.109 175.900 0.039 0.000 1.136 205 Y CA 1.712 59.861 58.100 0.081 0.000 1.147 205 Y CB -0.202 38.282 38.460 0.041 0.000 0.987 205 Y HN -0.008 nan 8.280 nan 0.000 0.509 206 E N 0.521 120.744 120.200 0.038 0.000 2.160 206 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 206 E C 1.640 178.184 176.600 -0.093 0.000 0.991 206 E CA 1.632 57.999 56.400 -0.054 0.000 0.810 206 E CB -0.216 29.505 29.700 0.034 0.000 0.742 206 E HN 0.722 nan 8.360 nan 0.000 0.466 207 E N -0.656 119.509 120.200 -0.058 0.000 2.479 207 E HA 0.129 4.479 4.350 -0.000 0.000 0.193 207 E C 0.966 177.491 176.600 -0.125 0.000 1.049 207 E CA 0.374 56.725 56.400 -0.082 0.000 0.870 207 E CB 0.410 30.067 29.700 -0.071 0.000 0.944 207 E HN 0.299 nan 8.360 nan 0.000 0.492 208 G N 2.271 110.977 108.800 -0.157 0.000 2.143 208 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.249 208 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.249 208 G C 0.991 175.836 174.900 -0.092 0.000 0.981 208 G CA 0.495 45.505 45.100 -0.150 0.000 0.665 208 G HN 0.109 nan 8.290 nan 0.000 0.528 209 K N -0.137 120.199 120.400 -0.106 0.000 2.211 209 K HA 0.095 4.415 4.320 -0.000 0.000 0.203 209 K C 1.577 178.209 176.600 0.054 0.000 1.050 209 K CA 1.571 57.787 56.287 -0.119 0.000 0.945 209 K CB -0.032 32.199 32.500 -0.450 0.000 0.732 209 K HN 0.902 nan 8.250 nan 0.000 0.451 210 I N -2.599 118.053 120.570 0.137 0.000 2.828 210 I HA 0.255 4.425 4.170 -0.000 0.000 0.302 210 I C 0.734 176.986 176.117 0.226 0.000 1.101 210 I CA -0.811 60.615 61.300 0.210 0.000 1.031 210 I CB 2.278 40.462 38.000 0.307 0.000 1.231 210 I HN -0.206 nan 8.210 nan 0.000 0.427 211 T N 0.076 114.753 114.554 0.205 0.000 3.107 211 T HA 0.288 4.638 4.350 -0.000 0.000 0.249 211 T C 0.284 175.189 174.700 0.341 0.000 1.096 211 T CA 0.054 62.288 62.100 0.223 0.000 1.012 211 T CB -0.328 68.618 68.868 0.130 0.000 0.977 211 T HN 0.849 nan 8.240 nan 0.000 0.527 212 K N 0.233 120.804 120.400 0.286 0.000 2.555 212 K HA 0.623 4.943 4.320 -0.000 0.000 0.279 212 K C -1.831 174.699 176.600 -0.118 0.000 0.986 212 K CA -1.210 55.114 56.287 0.062 0.000 0.880 212 K CB 1.191 33.708 32.500 0.029 0.000 1.474 212 K HN 0.023 nan 8.250 nan 0.000 0.433 213 L N 1.727 122.780 121.223 -0.283 0.000 2.305 213 L HA 0.446 4.786 4.340 -0.000 0.000 0.284 213 L C -2.369 174.413 176.870 -0.148 0.000 1.013 213 L CA -2.207 52.504 54.840 -0.215 0.000 0.819 213 L CB 1.771 43.711 42.059 -0.199 0.000 1.227 213 L HN 0.489 nan 8.230 nan 0.000 0.417 214 P HA 0.130 nan 4.420 nan 0.000 0.269 214 P C -0.818 176.344 177.300 -0.230 0.000 1.215 214 P CA -0.238 62.680 63.100 -0.304 0.000 0.780 214 P CB 0.498 31.851 31.700 -0.577 0.000 0.898 215 R N 2.225 122.531 120.500 -0.323 0.000 2.265 215 R HA 0.341 4.681 4.340 -0.000 0.000 0.314 215 R C -0.072 176.094 176.300 -0.223 0.000 1.053 215 R CA -0.490 55.408 56.100 -0.336 0.000 0.931 215 R CB 0.429 30.456 30.300 -0.455 0.000 1.024 215 R HN 0.404 nan 8.270 nan 0.000 0.457 216 M N 4.420 123.842 119.600 -0.296 0.000 2.108 216 M HA 0.228 4.708 4.480 -0.000 0.000 0.347 216 M C -0.594 175.536 176.300 -0.283 0.000 1.326 216 M CA 0.020 55.188 55.300 -0.219 0.000 1.126 216 M CB 0.982 33.418 32.600 -0.273 0.000 1.606 216 M HN 0.352 nan 8.290 nan 0.000 0.462 217 M N 3.218 122.616 119.600 -0.337 0.000 2.103 217 M HA 0.400 4.880 4.480 -0.000 0.000 0.350 217 M C 0.577 176.614 176.300 -0.438 0.000 1.100 217 M CA -0.383 54.611 55.300 -0.511 0.000 1.042 217 M CB 0.127 32.181 32.600 -0.908 0.000 1.368 217 M HN 0.671 nan 8.290 nan 0.000 0.404 218 G N 2.097 110.577 108.800 -0.533 0.000 2.400 218 G HA2 0.592 4.551 3.960 -0.000 0.000 0.301 218 G HA3 0.592 4.551 3.960 -0.000 0.000 0.301 218 G C -1.808 172.650 174.900 -0.736 0.000 1.154 218 G CA -0.308 44.547 45.100 -0.409 0.000 0.852 218 G HN 0.700 nan 8.290 nan 0.000 0.511 219 W N -0.094 121.136 121.300 -0.116 0.000 2.839 219 W HA 0.502 5.161 4.660 -0.001 0.000 0.334 219 W C 0.069 176.542 176.519 -0.077 0.000 1.064 219 W CA -0.663 56.632 57.345 -0.083 0.000 1.236 219 W CB 1.834 31.270 29.460 -0.039 0.000 1.405 219 W HN 0.396 nan 8.180 nan 0.000 0.478 220 Q N 1.640 121.500 119.800 0.100 0.000 2.359 220 Q HA 0.804 5.144 4.340 -0.000 0.000 0.275 220 Q C -0.460 175.585 176.000 0.075 0.000 1.082 220 Q CA -1.248 54.575 55.803 0.034 0.000 0.849 220 Q CB 2.431 31.130 28.738 -0.066 0.000 1.377 220 Q HN 0.542 nan 8.270 nan 0.000 0.452 221 A N 0.805 123.646 122.820 0.036 0.000 2.363 221 A HA 0.118 4.438 4.320 -0.000 0.000 0.270 221 A C 0.729 178.326 177.584 0.021 0.000 1.121 221 A CA -0.202 51.855 52.037 0.035 0.000 0.800 221 A CB 0.246 19.254 19.000 0.013 0.000 1.052 221 A HN 0.860 nan 8.150 nan 0.000 0.493 222 E N 2.366 122.584 120.200 0.031 0.000 2.130 222 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 222 E C 1.701 178.306 176.600 0.007 0.000 0.998 222 E CA 1.410 57.823 56.400 0.021 0.000 0.806 222 E CB -0.091 29.625 29.700 0.027 0.000 0.738 222 E HN 0.858 nan 8.360 nan 0.000 0.459 223 G N -0.021 108.783 108.800 0.006 0.000 2.956 223 G HA2 0.149 4.109 3.960 -0.000 0.000 0.207 223 G HA3 0.149 4.109 3.960 -0.000 0.000 0.207 223 G C 0.493 175.389 174.900 -0.006 0.000 1.162 223 G CA 0.441 45.543 45.100 0.002 0.000 0.796 223 G HN 0.240 nan 8.290 nan 0.000 0.527 224 A N -0.510 122.300 122.820 -0.017 0.000 3.464 224 A HA 0.680 4.999 4.320 -0.000 0.000 0.243 224 A C 0.127 177.669 177.584 -0.070 0.000 1.100 224 A CA 0.315 52.329 52.037 -0.038 0.000 0.957 224 A CB 0.089 19.069 19.000 -0.034 0.000 1.340 224 A HN 0.854 nan 8.150 nan 0.000 0.645 225 A N 1.825 124.600 122.820 -0.074 0.000 3.165 225 A HA 0.677 4.997 4.320 -0.000 0.000 0.331 225 A C -1.318 176.173 177.584 -0.154 0.000 1.034 225 A CA -1.091 50.876 52.037 -0.118 0.000 0.906 225 A CB 0.252 19.206 19.000 -0.078 0.000 1.054 225 A HN 0.295 nan 8.150 nan 0.000 0.484 226 P HA -0.162 nan 4.420 nan 0.000 0.218 226 P C 1.470 178.522 177.300 -0.413 0.000 1.149 226 P CA 0.982 63.904 63.100 -0.296 0.000 0.817 226 P CB 0.175 31.593 31.700 -0.471 0.000 0.785 227 I N -0.727 119.466 120.570 -0.629 0.000 2.394 227 I HA -0.146 4.024 4.170 -0.000 0.000 0.251 227 I C 2.463 178.499 176.117 -0.134 0.000 1.136 227 I CA 0.974 61.981 61.300 -0.488 0.000 1.425 227 I CB -0.502 37.172 38.000 -0.544 0.000 1.079 227 I HN -0.186 nan 8.210 nan 0.000 0.425 228 V N 0.850 120.675 119.914 -0.150 0.000 2.379 228 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 228 V C 2.200 178.283 176.094 -0.019 0.000 1.044 228 V CA 1.684 63.928 62.300 -0.094 0.000 1.036 228 V CB -0.571 31.188 31.823 -0.106 0.000 0.664 228 V HN 0.382 nan 8.190 nan 0.000 0.453 229 K N -0.276 120.136 120.400 0.019 0.000 2.361 229 K HA 0.230 4.550 4.320 -0.000 0.000 0.196 229 K C 1.548 178.244 176.600 0.161 0.000 1.039 229 K CA 0.737 57.083 56.287 0.099 0.000 1.001 229 K CB 0.279 32.851 32.500 0.121 0.000 0.795 229 K HN 0.540 nan 8.250 nan 0.000 0.495 230 G N 0.755 109.648 108.800 0.156 0.000 2.159 230 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.256 230 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.256 230 G C -0.432 174.332 174.900 -0.226 0.000 0.977 230 G CA 0.106 45.229 45.100 0.038 0.000 0.652 230 G HN 0.250 nan 8.290 nan 0.000 0.531 231 Y N -0.727 119.790 120.300 0.362 0.000 2.544 231 Y HA 0.544 5.094 4.550 0.000 0.000 0.342 231 Y C -2.387 173.736 175.900 0.371 0.000 1.062 231 Y CA -2.361 55.928 58.100 0.315 0.000 1.023 231 Y CB 1.816 40.357 38.460 0.136 0.000 1.308 231 Y HN -0.057 nan 8.280 nan 0.000 0.457 232 P HA 0.079 nan 4.420 nan 0.000 0.266 232 P C -0.746 176.663 177.300 0.182 0.000 1.195 232 P CA 0.161 63.461 63.100 0.334 0.000 0.768 232 P CB 0.488 32.370 31.700 0.304 0.000 0.838 233 I N 3.968 124.591 120.570 0.089 0.000 2.297 233 I HA 0.129 4.299 4.170 -0.000 0.000 0.291 233 I C 1.492 177.639 176.117 0.049 0.000 1.033 233 I CA -0.150 61.182 61.300 0.054 0.000 1.253 233 I CB 0.695 38.701 38.000 0.010 0.000 1.396 233 I HN 0.431 nan 8.210 nan 0.000 0.476 234 K N 3.819 124.252 120.400 0.054 0.000 2.057 234 K HA -0.168 4.151 4.320 -0.000 0.000 0.207 234 K C 0.650 177.275 176.600 0.041 0.000 1.049 234 K CA 1.381 57.698 56.287 0.050 0.000 0.931 234 K CB 0.034 32.562 32.500 0.047 0.000 0.714 234 K HN 0.403 nan 8.250 nan 0.000 0.440 235 N N 0.795 119.515 118.700 0.034 0.000 2.918 235 N HA 0.122 4.862 4.740 -0.000 0.000 0.270 235 N C -2.794 172.728 175.510 0.020 0.000 1.536 235 N CA -2.075 50.993 53.050 0.031 0.000 0.877 235 N CB 0.761 39.266 38.487 0.031 0.000 1.190 235 N HN -0.112 nan 8.380 nan 0.000 0.492 236 P HA 0.046 nan 4.420 nan 0.000 0.265 236 P C -0.990 176.312 177.300 0.004 0.000 1.193 236 P CA 0.251 63.351 63.100 0.001 0.000 0.765 236 P CB 0.869 32.561 31.700 -0.013 0.000 0.823 237 Q N 0.937 120.738 119.800 0.001 0.000 2.331 237 Q HA 0.669 5.009 4.340 -0.000 0.000 0.272 237 Q C -0.425 175.575 176.000 -0.001 0.000 1.062 237 Q CA -0.304 55.501 55.803 0.003 0.000 0.806 237 Q CB 2.690 31.432 28.738 0.007 0.000 1.312 237 Q HN 0.630 nan 8.270 nan 0.000 0.431 238 T N 0.158 114.711 114.554 -0.003 0.000 3.013 238 T HA 0.140 4.490 4.350 -0.000 0.000 0.359 238 T C -0.276 174.416 174.700 -0.015 0.000 1.845 238 T CA -0.491 61.605 62.100 -0.007 0.000 1.075 238 T CB 0.515 69.378 68.868 -0.009 0.000 1.727 238 T HN 0.455 nan 8.240 nan 0.000 0.503 239 I N 3.546 124.102 120.570 -0.024 0.000 2.546 239 I HA 0.421 4.590 4.170 -0.000 0.000 0.255 239 I C 1.590 177.671 176.117 -0.059 0.000 1.163 239 I CA 1.636 62.912 61.300 -0.041 0.000 1.457 239 I CB -0.321 37.647 38.000 -0.054 0.000 1.092 239 I HN 0.756 nan 8.210 nan 0.000 0.434 240 A N 0.173 122.960 122.820 -0.055 0.000 2.981 240 A HA 0.213 4.533 4.320 -0.000 0.000 0.280 240 A C 1.534 179.100 177.584 -0.030 0.000 1.743 240 A CA 0.373 52.377 52.037 -0.056 0.000 1.430 240 A CB -1.199 17.776 19.000 -0.040 0.000 1.085 240 A HN 0.440 nan 8.150 nan 0.000 0.597 241 T N 1.404 115.940 114.554 -0.030 0.000 2.721 241 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 241 T C 2.148 176.845 174.700 -0.006 0.000 1.038 241 T CA 2.022 64.114 62.100 -0.015 0.000 1.145 241 T CB -0.157 68.704 68.868 -0.012 0.000 0.858 241 T HN 0.836 nan 8.240 nan 0.000 0.459 242 A N 1.297 124.116 122.820 -0.002 0.000 2.125 242 A HA 0.063 4.383 4.320 -0.000 0.000 0.219 242 A C 2.003 179.603 177.584 0.027 0.000 1.156 242 A CA 1.105 53.152 52.037 0.017 0.000 0.671 242 A CB -0.778 18.244 19.000 0.035 0.000 0.794 242 A HN 0.797 nan 8.150 nan 0.000 0.459 243 I N -4.902 115.677 120.570 0.014 0.000 3.947 243 I HA 0.340 4.510 4.170 -0.000 0.000 0.327 243 I C 0.537 176.645 176.117 -0.014 0.000 1.519 243 I CA -0.284 61.021 61.300 0.007 0.000 1.122 243 I CB 0.163 38.172 38.000 0.015 0.000 1.146 243 I HN -0.004 nan 8.210 nan 0.000 0.442 244 K N 3.112 123.504 120.400 -0.014 0.000 2.278 244 K HA 0.306 4.625 4.320 -0.000 0.000 0.237 244 K C -0.685 175.898 176.600 -0.029 0.000 1.229 244 K CA -0.182 56.093 56.287 -0.019 0.000 1.155 244 K CB 0.159 32.653 32.500 -0.011 0.000 1.590 244 K HN 0.286 nan 8.250 nan 0.000 0.290 245 I N 2.066 122.610 120.570 -0.044 0.000 2.389 245 I HA 0.174 4.344 4.170 -0.000 0.000 0.288 245 I C 1.176 177.247 176.117 -0.077 0.000 0.999 245 I CA -0.458 60.809 61.300 -0.055 0.000 1.129 245 I CB 1.295 39.263 38.000 -0.053 0.000 1.288 245 I HN 0.529 nan 8.210 nan 0.000 0.444 246 G N 4.806 113.574 108.800 -0.053 0.000 2.683 246 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.213 246 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.213 246 G C 0.628 175.511 174.900 -0.029 0.000 1.142 246 G CA -0.026 45.049 45.100 -0.042 0.000 0.793 246 G HN 0.679 nan 8.290 nan 0.000 0.534 247 N N 0.568 119.264 118.700 -0.005 0.000 2.722 247 N HA 0.210 4.950 4.740 -0.000 0.000 0.242 247 N C -2.914 172.655 175.510 0.097 0.000 1.398 247 N CA -1.149 51.965 53.050 0.105 0.000 0.755 247 N CB 1.749 40.331 38.487 0.159 0.000 1.268 247 N HN -0.094 nan 8.380 nan 0.000 0.522 248 P HA -0.117 nan 4.420 nan 0.000 0.261 248 P C 0.135 177.547 177.300 0.187 0.000 1.183 248 P CA 0.097 63.210 63.100 0.023 0.000 0.761 248 P CB 0.736 32.322 31.700 -0.190 0.000 0.785 249 Y N 3.562 123.907 120.300 0.075 0.000 2.224 249 Y HA -0.149 4.401 4.550 -0.000 0.000 0.289 249 Y C 1.722 177.687 175.900 0.108 0.000 1.146 249 Y CA 1.838 59.990 58.100 0.087 0.000 1.182 249 Y CB 0.070 38.559 38.460 0.049 0.000 0.983 249 Y HN 0.251 nan 8.280 nan 0.000 0.524 250 S N 1.041 116.903 115.700 0.268 0.000 2.552 250 S HA -0.025 4.445 4.470 -0.000 0.000 0.246 250 S C 1.035 175.743 174.600 0.180 0.000 1.019 250 S CA -0.565 57.754 58.200 0.197 0.000 1.045 250 S CB -0.570 62.759 63.200 0.214 0.000 0.784 250 S HN 0.580 nan 8.310 nan 0.000 0.453 251 W N 3.373 124.650 121.300 -0.038 0.000 2.301 251 W HA -0.202 4.457 4.660 -0.001 0.000 0.325 251 W C 1.457 177.937 176.519 -0.066 0.000 1.250 251 W CA 1.496 58.807 57.345 -0.058 0.000 1.261 251 W CB -0.593 28.819 29.460 -0.080 0.000 1.157 251 W HN 0.335 nan 8.180 nan 0.000 0.473 252 K N -0.173 120.352 120.400 0.208 0.000 2.063 252 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 252 K C 2.193 178.839 176.600 0.075 0.000 1.048 252 K CA 2.002 58.325 56.287 0.060 0.000 0.928 252 K CB -0.568 31.905 32.500 -0.045 0.000 0.713 252 K HN -0.038 nan 8.250 nan 0.000 0.442 253 S N 0.771 116.523 115.700 0.087 0.000 2.423 253 S HA -0.109 4.361 4.470 -0.000 0.000 0.231 253 S C 2.034 176.681 174.600 0.079 0.000 1.014 253 S CA 1.081 59.335 58.200 0.089 0.000 0.965 253 S CB -0.110 63.153 63.200 0.104 0.000 0.785 253 S HN 0.423 nan 8.310 nan 0.000 0.495 254 A N 1.424 124.290 122.820 0.075 0.000 1.897 254 A HA 0.098 4.418 4.320 -0.000 0.000 0.215 254 A C 2.057 179.627 177.584 -0.023 0.000 1.181 254 A CA 0.871 52.916 52.037 0.015 0.000 0.620 254 A CB -0.594 18.402 19.000 -0.008 0.000 0.821 254 A HN 0.440 nan 8.150 nan 0.000 0.443 255 L N -0.574 120.671 121.223 0.036 0.000 2.083 255 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 255 L C 2.615 179.458 176.870 -0.044 0.000 1.083 255 L CA 1.854 56.695 54.840 0.002 0.000 0.752 255 L CB -0.370 41.722 42.059 0.054 0.000 0.899 255 L HN 0.454 nan 8.230 nan 0.000 0.433 256 K N 0.388 120.780 120.400 -0.013 0.000 2.097 256 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 256 K C 2.152 178.707 176.600 -0.075 0.000 1.050 256 K CA 1.215 57.499 56.287 -0.005 0.000 0.938 256 K CB -0.040 32.496 32.500 0.061 0.000 0.718 256 K HN 0.253 nan 8.250 nan 0.000 0.442 257 A N 1.069 123.809 122.820 -0.133 0.000 1.902 257 A HA -0.087 4.232 4.320 -0.000 0.000 0.217 257 A C 2.316 179.506 177.584 -0.657 0.000 1.181 257 A CA 1.813 53.562 52.037 -0.480 0.000 0.623 257 A CB -0.770 18.078 19.000 -0.252 0.000 0.818 257 A HN 0.472 nan 8.150 nan 0.000 0.443 258 A N -0.843 121.749 122.820 -0.379 0.000 1.873 258 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 258 A C 2.180 179.578 177.584 -0.309 0.000 1.186 258 A CA 2.126 53.951 52.037 -0.354 0.000 0.616 258 A CB -0.574 18.272 19.000 -0.257 0.000 0.823 258 A HN 0.550 nan 8.150 nan 0.000 0.442 259 Q N 0.187 119.857 119.800 -0.217 0.000 2.020 259 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 259 Q C 1.967 177.879 176.000 -0.146 0.000 0.982 259 Q CA 2.490 58.206 55.803 -0.145 0.000 0.838 259 Q CB -0.474 28.213 28.738 -0.084 0.000 0.899 259 Q HN 0.735 nan 8.270 nan 0.000 0.423 260 E N -0.732 119.383 120.200 -0.141 0.000 2.153 260 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 260 E C 1.440 177.982 176.600 -0.096 0.000 0.988 260 E CA 1.406 57.797 56.400 -0.014 0.000 0.811 260 E CB -0.135 29.712 29.700 0.244 0.000 0.746 260 E HN 0.502 nan 8.360 nan 0.000 0.466 261 S N -1.440 113.923 115.700 -0.560 0.000 2.548 261 S HA 0.205 4.675 4.470 -0.000 0.000 0.215 261 S C 1.475 175.871 174.600 -0.340 0.000 0.976 261 S CA 0.388 58.183 58.200 -0.675 0.000 0.908 261 S CB 0.588 62.889 63.200 -1.499 0.000 0.781 261 S HN 0.478 nan 8.310 nan 0.000 0.519 262 G N 0.429 109.076 108.800 -0.256 0.000 2.143 262 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.248 262 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.248 262 G C 0.498 175.297 174.900 -0.168 0.000 0.991 262 G CA 0.097 45.098 45.100 -0.166 0.000 0.689 262 G HN 1.026 nan 8.290 nan 0.000 0.522 263 G N -0.901 107.747 108.800 -0.253 0.000 2.630 263 G HA2 0.718 4.677 3.960 -0.000 0.000 0.223 263 G HA3 0.718 4.677 3.960 -0.000 0.000 0.223 263 G C -0.054 174.714 174.900 -0.220 0.000 1.434 263 G CA 0.240 45.205 45.100 -0.225 0.000 1.057 263 G HN 0.825 nan 8.290 nan 0.000 0.570 264 K N -1.603 118.624 120.400 -0.288 0.000 2.625 264 K HA 0.407 4.727 4.320 -0.000 0.000 0.284 264 K C -1.930 174.394 176.600 -0.460 0.000 0.984 264 K CA -0.714 55.380 56.287 -0.320 0.000 0.865 264 K CB 1.766 34.091 32.500 -0.291 0.000 1.468 264 K HN 0.322 nan 8.250 nan 0.000 0.407 265 I N 2.710 123.020 120.570 -0.434 0.000 2.382 265 I HA 0.278 4.447 4.170 -0.000 0.000 0.286 265 I C -0.492 175.290 176.117 -0.559 0.000 1.002 265 I CA -0.572 60.419 61.300 -0.515 0.000 1.135 265 I CB 1.553 39.349 38.000 -0.340 0.000 1.288 265 I HN 0.593 nan 8.210 nan 0.000 0.448 266 D N 4.257 124.125 120.400 -0.888 0.000 2.712 266 D HA 0.828 5.468 4.640 -0.000 0.000 0.252 266 D C -1.083 174.984 176.300 -0.388 0.000 1.123 266 D CA -0.412 53.156 54.000 -0.720 0.000 1.109 266 D CB 2.457 42.606 40.800 -1.085 0.000 1.313 266 D HN 0.517 nan 8.370 nan 0.000 0.629 267 A N -0.222 122.576 122.820 -0.036 0.000 2.498 267 A HA 0.688 5.008 4.320 -0.000 0.000 0.298 267 A C -1.051 176.732 177.584 0.333 0.000 1.075 267 A CA -0.533 51.607 52.037 0.172 0.000 0.714 267 A CB 1.384 20.413 19.000 0.048 0.000 1.299 267 A HN 0.426 nan 8.150 nan 0.000 0.407 268 V N -0.575 119.492 119.914 0.255 0.000 2.962 268 V HA 0.868 4.988 4.120 -0.000 0.000 0.313 268 V C 0.150 176.290 176.094 0.077 0.000 1.099 268 V CA -0.259 62.129 62.300 0.145 0.000 0.971 268 V CB 1.177 33.040 31.823 0.066 0.000 1.028 268 V HN 1.470 nan 8.190 nan 0.000 0.430 269 S N 0.587 116.314 115.700 0.045 0.000 2.614 269 S HA 0.253 4.723 4.470 -0.000 0.000 0.265 269 S C 0.505 175.120 174.600 0.024 0.000 1.303 269 S CA 0.157 58.375 58.200 0.029 0.000 1.000 269 S CB 0.976 64.188 63.200 0.019 0.000 0.935 269 S HN 0.805 nan 8.310 nan 0.000 0.551 270 D N 1.096 121.506 120.400 0.018 0.000 2.182 270 D HA -0.077 4.563 4.640 -0.000 0.000 0.201 270 D C 2.016 178.331 176.300 0.025 0.000 0.986 270 D CA 1.542 55.550 54.000 0.013 0.000 0.847 270 D CB -0.407 40.397 40.800 0.005 0.000 0.942 270 D HN 0.561 nan 8.370 nan 0.000 0.467 271 S N -0.101 115.616 115.700 0.028 0.000 2.368 271 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 271 S C 1.692 176.331 174.600 0.065 0.000 1.029 271 S CA 1.115 59.340 58.200 0.041 0.000 0.988 271 S CB -0.072 63.139 63.200 0.019 0.000 0.838 271 S HN 0.240 nan 8.310 nan 0.000 0.462 272 E N 0.290 120.514 120.200 0.041 0.000 2.152 272 E HA 0.003 4.353 4.350 -0.000 0.000 0.192 272 E C 1.979 178.627 176.600 0.081 0.000 0.983 272 E CA 1.063 57.494 56.400 0.052 0.000 0.818 272 E CB -0.136 29.562 29.700 -0.003 0.000 0.758 272 E HN 0.567 nan 8.360 nan 0.000 0.467 273 I N 0.844 121.443 120.570 0.050 0.000 2.286 273 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 273 I C 2.225 178.391 176.117 0.082 0.000 1.104 273 I CA 0.945 62.267 61.300 0.037 0.000 1.397 273 I CB -0.132 37.872 38.000 0.007 0.000 1.072 273 I HN 0.120 nan 8.210 nan 0.000 0.417 274 L N -0.508 120.773 121.223 0.097 0.000 2.141 274 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 274 L C 2.675 179.676 176.870 0.218 0.000 1.094 274 L CA 1.243 56.184 54.840 0.168 0.000 0.763 274 L CB -0.692 41.445 42.059 0.129 0.000 0.908 274 L HN 0.273 nan 8.230 nan 0.000 0.437 275 Y N 0.880 121.217 120.300 0.061 0.000 2.181 275 Y HA -0.252 4.298 4.550 0.000 0.000 0.288 275 Y C 2.464 178.376 175.900 0.020 0.000 1.146 275 Y CA 1.275 59.393 58.100 0.029 0.000 1.164 275 Y CB -0.235 38.221 38.460 -0.006 0.000 0.982 275 Y HN 0.085 nan 8.280 nan 0.000 0.515 276 A N -0.480 122.336 122.820 -0.008 0.000 1.898 276 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 276 A C 2.142 179.691 177.584 -0.059 0.000 1.181 276 A CA 1.493 53.466 52.037 -0.107 0.000 0.620 276 A CB -1.609 17.366 19.000 -0.042 0.000 0.819 276 A HN 0.716 nan 8.150 nan 0.000 0.442 277 Y N 1.095 121.342 120.300 -0.088 0.000 2.114 277 Y HA -0.251 4.299 4.550 -0.000 0.000 0.282 277 Y C 2.131 178.007 175.900 -0.041 0.000 1.165 277 Y CA 2.384 60.463 58.100 -0.035 0.000 1.148 277 Y CB -0.323 38.144 38.460 0.012 0.000 0.972 277 Y HN 0.288 nan 8.280 nan 0.000 0.504 278 K N -0.436 119.865 120.400 -0.164 0.000 2.031 278 K HA -0.126 4.194 4.320 -0.000 0.000 0.205 278 K C 2.008 178.432 176.600 -0.293 0.000 1.049 278 K CA 1.358 57.468 56.287 -0.295 0.000 0.939 278 K CB -0.497 31.898 32.500 -0.175 0.000 0.717 278 K HN 0.289 nan 8.250 nan 0.000 0.438 279 L N 1.742 122.749 121.223 -0.359 0.000 2.042 279 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 279 L C 1.948 178.666 176.870 -0.253 0.000 1.076 279 L CA 1.492 56.112 54.840 -0.367 0.000 0.749 279 L CB -0.224 41.504 42.059 -0.552 0.000 0.893 279 L HN 0.143 nan 8.230 nan 0.000 0.432 280 I N -0.714 119.724 120.570 -0.220 0.000 2.208 280 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 280 I C 2.545 178.558 176.117 -0.174 0.000 1.097 280 I CA 1.284 62.477 61.300 -0.179 0.000 1.363 280 I CB -0.627 37.288 38.000 -0.141 0.000 1.051 280 I HN 0.351 nan 8.210 nan 0.000 0.413 281 A N 0.494 123.204 122.820 -0.184 0.000 1.898 281 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 281 A C 2.465 179.944 177.584 -0.176 0.000 1.181 281 A CA 1.965 53.895 52.037 -0.179 0.000 0.620 281 A CB -0.798 18.063 19.000 -0.232 0.000 0.819 281 A HN 0.504 nan 8.150 nan 0.000 0.442 282 S N -0.534 115.056 115.700 -0.183 0.000 2.489 282 S HA -0.098 4.371 4.470 -0.000 0.000 0.228 282 S C 1.708 176.233 174.600 -0.125 0.000 0.995 282 S CA 1.665 59.775 58.200 -0.150 0.000 0.934 282 S CB -0.807 62.304 63.200 -0.148 0.000 0.771 282 S HN 0.735 nan 8.310 nan 0.000 0.522 283 T N -1.562 112.912 114.554 -0.135 0.000 3.039 283 T HA 0.281 4.631 4.350 -0.000 0.000 0.250 283 T C 1.354 175.991 174.700 -0.106 0.000 1.052 283 T CA 0.210 62.242 62.100 -0.113 0.000 1.125 283 T CB 0.031 68.827 68.868 -0.120 0.000 0.908 283 T HN 0.279 nan 8.240 nan 0.000 0.473 284 E N 0.670 120.798 120.200 -0.120 0.000 2.541 284 E HA 0.287 4.637 4.350 -0.000 0.000 0.219 284 E C 1.291 177.826 176.600 -0.107 0.000 0.922 284 E CA 0.514 56.847 56.400 -0.112 0.000 1.095 284 E CB 0.833 30.454 29.700 -0.131 0.000 1.112 284 E HN 0.605 nan 8.360 nan 0.000 0.516 285 G N 1.763 110.494 108.800 -0.114 0.000 2.182 285 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.248 285 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.248 285 G C 0.050 174.889 174.900 -0.102 0.000 1.042 285 G CA 0.449 45.491 45.100 -0.096 0.000 0.775 285 G HN 0.109 nan 8.290 nan 0.000 0.501 286 V N 0.700 120.516 119.914 -0.163 0.000 2.378 286 V HA 0.624 4.744 4.120 -0.000 0.000 0.288 286 V C -0.395 175.617 176.094 -0.137 0.000 1.016 286 V CA -0.965 61.148 62.300 -0.312 0.000 0.840 286 V CB 1.546 33.063 31.823 -0.510 0.000 0.994 286 V HN 0.353 nan 8.190 nan 0.000 0.431 287 F N 7.181 127.021 119.950 -0.183 0.000 2.332 287 F HA 0.648 5.174 4.527 -0.000 0.000 0.368 287 F C 0.372 176.268 175.800 0.160 0.000 1.110 287 F CA -1.421 56.564 58.000 -0.025 0.000 1.087 287 F CB 0.462 39.483 39.000 0.034 0.000 1.235 287 F HN 0.668 nan 8.300 nan 0.000 0.470 288 C N 3.898 123.248 119.300 0.082 0.000 2.505 288 C HA 0.857 5.317 4.460 -0.000 0.000 0.358 288 C C -0.071 174.930 174.990 0.019 0.000 1.226 288 C CA -0.883 58.183 59.018 0.080 0.000 1.900 288 C CB 1.172 29.001 27.740 0.147 0.000 2.306 288 C HN 0.849 nan 8.230 nan 0.000 0.512 289 E N 1.251 121.455 120.200 0.007 0.000 2.345 289 E HA 0.365 4.715 4.350 -0.000 0.000 0.259 289 E C -2.166 174.417 176.600 -0.028 0.000 1.117 289 E CA -1.152 55.233 56.400 -0.025 0.000 0.913 289 E CB 0.321 29.981 29.700 -0.066 0.000 1.057 289 E HN 0.375 nan 8.360 nan 0.000 0.432 290 P HA -0.315 nan 4.420 nan 0.000 0.216 290 P C 1.237 178.479 177.300 -0.097 0.000 1.157 290 P CA 2.606 65.512 63.100 -0.324 0.000 0.880 290 P CB -0.077 31.383 31.700 -0.400 0.000 0.791 291 A N -0.760 122.028 122.820 -0.053 0.000 1.908 291 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 291 A C 2.346 179.953 177.584 0.039 0.000 1.181 291 A CA 2.469 54.509 52.037 0.005 0.000 0.627 291 A CB -1.647 17.371 19.000 0.029 0.000 0.818 291 A HN 0.162 nan 8.150 nan 0.000 0.445 292 S N 0.029 115.763 115.700 0.058 0.000 2.387 292 S HA -0.113 4.357 4.470 -0.000 0.000 0.230 292 S C 2.140 176.771 174.600 0.051 0.000 1.035 292 S CA 1.238 59.486 58.200 0.080 0.000 1.014 292 S CB -0.488 62.779 63.200 0.112 0.000 0.836 292 S HN 0.849 nan 8.310 nan 0.000 0.466 293 A N 1.159 124.011 122.820 0.053 0.000 2.172 293 A HA 0.296 4.616 4.320 -0.000 0.000 0.216 293 A C 2.225 179.796 177.584 -0.022 0.000 1.154 293 A CA 1.221 53.277 52.037 0.031 0.000 0.701 293 A CB -0.763 18.299 19.000 0.103 0.000 0.789 293 A HN 0.495 nan 8.150 nan 0.000 0.465 294 A N 0.678 123.495 122.820 -0.004 0.000 1.940 294 A HA -0.128 4.191 4.320 -0.000 0.000 0.219 294 A C 2.506 180.036 177.584 -0.090 0.000 1.176 294 A CA 2.218 54.249 52.037 -0.010 0.000 0.631 294 A CB -0.939 18.105 19.000 0.073 0.000 0.814 294 A HN 0.945 nan 8.150 nan 0.000 0.446 295 S N -0.320 115.354 115.700 -0.042 0.000 2.356 295 S HA -0.143 4.326 4.470 -0.000 0.000 0.223 295 S C 1.734 176.187 174.600 -0.246 0.000 1.032 295 S CA 1.560 59.730 58.200 -0.049 0.000 1.005 295 S CB -1.034 62.169 63.200 0.006 0.000 0.867 295 S HN 0.264 nan 8.310 nan 0.000 0.449 296 V N 2.563 122.331 119.914 -0.243 0.000 2.427 296 V HA -0.030 4.090 4.120 -0.000 0.000 0.248 296 V C 3.103 178.980 176.094 -0.362 0.000 1.051 296 V CA 1.402 63.503 62.300 -0.331 0.000 1.048 296 V CB -1.447 30.238 31.823 -0.230 0.000 0.666 296 V HN 0.665 nan 8.190 nan 0.000 0.456 297 A N 0.617 123.258 122.820 -0.298 0.000 1.933 297 A HA -0.112 4.207 4.320 -0.000 0.000 0.218 297 A C 2.407 179.663 177.584 -0.547 0.000 1.175 297 A CA 1.974 53.843 52.037 -0.281 0.000 0.628 297 A CB -1.129 17.768 19.000 -0.172 0.000 0.814 297 A HN 0.521 nan 8.150 nan 0.000 0.444 298 G N -0.282 107.924 108.800 -0.990 0.000 2.402 298 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.216 298 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.216 298 G C 1.481 175.810 174.900 -0.952 0.000 1.162 298 G CA 1.150 45.019 45.100 -2.051 0.000 0.777 298 G HN 0.490 nan 8.290 nan 0.000 0.539 299 L N 0.826 121.616 121.223 -0.722 0.000 2.017 299 L HA 0.054 4.394 4.340 -0.000 0.000 0.208 299 L C 2.673 179.344 176.870 -0.333 0.000 1.073 299 L CA 1.394 55.804 54.840 -0.716 0.000 0.745 299 L CB -0.443 40.907 42.059 -1.182 0.000 0.894 299 L HN 0.262 nan 8.230 nan 0.000 0.432 300 I N -0.432 119.948 120.570 -0.315 0.000 2.208 300 I HA -0.341 3.829 4.170 -0.000 0.000 0.245 300 I C 2.587 178.648 176.117 -0.094 0.000 1.097 300 I CA 1.671 62.884 61.300 -0.145 0.000 1.363 300 I CB -0.412 37.541 38.000 -0.078 0.000 1.051 300 I HN 0.349 nan 8.210 nan 0.000 0.413 301 K N 0.875 121.173 120.400 -0.171 0.000 2.063 301 K HA -0.218 4.102 4.320 -0.000 0.000 0.208 301 K C 2.113 178.697 176.600 -0.026 0.000 1.048 301 K CA 1.529 57.754 56.287 -0.104 0.000 0.928 301 K CB 0.009 32.418 32.500 -0.152 0.000 0.713 301 K HN 0.088 nan 8.250 nan 0.000 0.442 302 L N 0.756 121.961 121.223 -0.030 0.000 2.056 302 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 302 L C 2.389 179.357 176.870 0.164 0.000 1.078 302 L CA 1.306 56.145 54.840 -0.002 0.000 0.749 302 L CB -0.844 41.111 42.059 -0.174 0.000 0.901 302 L HN 0.210 nan 8.230 nan 0.000 0.433 303 V N -2.219 117.858 119.914 0.272 0.000 2.343 303 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 303 V C 2.493 178.711 176.094 0.207 0.000 1.051 303 V CA 1.563 64.088 62.300 0.374 0.000 1.036 303 V CB -0.897 31.104 31.823 0.296 0.000 0.654 303 V HN 0.360 nan 8.190 nan 0.000 0.451 304 R N 0.549 121.117 120.500 0.114 0.000 2.189 304 R HA -0.010 4.330 4.340 -0.000 0.000 0.223 304 R C 2.049 178.391 176.300 0.071 0.000 1.092 304 R CA 1.444 57.586 56.100 0.069 0.000 0.989 304 R CB -0.265 30.049 30.300 0.024 0.000 0.876 304 R HN 0.686 nan 8.270 nan 0.000 0.457 305 E N -0.202 120.051 120.200 0.089 0.000 2.445 305 E HA 0.071 4.421 4.350 -0.000 0.000 0.189 305 E C 0.533 177.199 176.600 0.111 0.000 1.069 305 E CA 0.239 56.692 56.400 0.088 0.000 0.871 305 E CB 0.591 30.342 29.700 0.086 0.000 0.991 305 E HN 0.450 nan 8.360 nan 0.000 0.481 306 G N 1.544 110.422 108.800 0.129 0.000 2.198 306 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.260 306 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.260 306 G C 0.427 175.395 174.900 0.113 0.000 1.025 306 G CA 0.480 45.651 45.100 0.118 0.000 0.769 306 G HN 0.448 nan 8.290 nan 0.000 0.507 307 F N 0.181 120.092 119.950 -0.065 0.000 2.102 307 F HA 0.311 4.838 4.527 -0.000 0.000 0.298 307 F C 1.464 177.088 175.800 -0.293 0.000 1.105 307 F CA 0.912 58.766 58.000 -0.243 0.000 1.239 307 F CB -0.101 38.619 39.000 -0.466 0.000 0.991 307 F HN 0.141 nan 8.300 nan 0.000 0.474 308 F N 0.626 120.650 119.950 0.125 0.000 2.378 308 F HA 0.290 4.817 4.527 -0.000 0.000 0.319 308 F C 1.279 177.056 175.800 -0.039 0.000 1.155 308 F CA -0.282 57.728 58.000 0.016 0.000 1.157 308 F CB 0.585 39.679 39.000 0.156 0.000 1.252 308 F HN -0.325 nan 8.300 nan 0.000 0.550 309 K N 0.584 121.085 120.400 0.167 0.000 2.402 309 K HA 0.397 4.716 4.320 -0.000 0.000 0.204 309 K C -0.108 176.508 176.600 0.027 0.000 1.056 309 K CA 0.194 56.518 56.287 0.061 0.000 1.069 309 K CB 0.851 33.368 32.500 0.029 0.000 0.888 309 K HN 0.862 nan 8.250 nan 0.000 0.546 310 G N -0.105 108.697 108.800 0.003 0.000 2.788 310 G HA2 0.133 4.093 3.960 -0.000 0.000 0.686 310 G HA3 0.133 4.093 3.960 -0.000 0.000 0.686 310 G C 0.432 175.277 174.900 -0.092 0.000 1.147 310 G CA -0.376 44.653 45.100 -0.120 0.000 0.755 310 G HN 0.333 nan 8.290 nan 0.000 0.634 311 G N 0.221 108.919 108.800 -0.169 0.000 2.199 311 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.254 311 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.254 311 G C 0.341 175.242 174.900 0.001 0.000 0.982 311 G CA 1.309 46.364 45.100 -0.074 0.000 0.632 311 G HN 1.457 nan 8.290 nan 0.000 0.529 312 E N -0.277 119.933 120.200 0.016 0.000 2.390 312 E HA 0.498 4.848 4.350 -0.000 0.000 0.261 312 E C 0.232 176.998 176.600 0.277 0.000 1.076 312 E CA -0.188 56.340 56.400 0.212 0.000 0.905 312 E CB 1.614 31.546 29.700 0.387 0.000 0.984 312 E HN 0.192 nan 8.360 nan 0.000 0.427 313 V N 3.160 123.276 119.914 0.337 0.000 2.370 313 V HA 0.319 4.439 4.120 -0.000 0.000 0.283 313 V C -0.480 175.851 176.094 0.395 0.000 1.023 313 V CA -0.650 61.865 62.300 0.359 0.000 0.857 313 V CB 1.384 33.381 31.823 0.290 0.000 0.985 313 V HN 0.370 nan 8.190 nan 0.000 0.443 314 V N 4.065 124.187 119.914 0.348 0.000 2.735 314 V HA 0.683 4.803 4.120 -0.000 0.000 0.310 314 V C 0.073 176.327 176.094 0.267 0.000 1.061 314 V CA -0.518 61.949 62.300 0.278 0.000 0.913 314 V CB 2.591 34.391 31.823 -0.038 0.000 1.005 314 V HN 0.972 nan 8.190 nan 0.000 0.428 315 T N 0.244 114.997 114.554 0.333 0.000 2.829 315 T HA 0.662 5.012 4.350 -0.000 0.000 0.280 315 T C -0.668 174.139 174.700 0.178 0.000 0.999 315 T CA -0.596 61.706 62.100 0.337 0.000 0.983 315 T CB 1.298 70.464 68.868 0.497 0.000 0.968 315 T HN 0.622 nan 8.240 nan 0.000 0.446 316 C N 2.421 121.777 119.300 0.094 0.000 2.408 316 C HA 0.667 5.127 4.460 -0.000 0.000 0.321 316 C C 0.643 175.660 174.990 0.045 0.000 1.245 316 C CA -0.692 58.305 59.018 -0.035 0.000 1.523 316 C CB 1.134 28.818 27.740 -0.093 0.000 2.178 316 C HN 1.004 nan 8.230 nan 0.000 0.488 317 T N 4.490 119.030 114.554 -0.024 0.000 2.729 317 T HA 0.321 4.670 4.350 -0.000 0.000 0.296 317 T C -0.008 174.739 174.700 0.078 0.000 0.928 317 T CA 0.062 62.214 62.100 0.087 0.000 1.045 317 T CB -0.004 68.861 68.868 -0.004 0.000 0.902 317 T HN 0.425 nan 8.240 nan 0.000 0.500 318 L N 4.694 126.006 121.223 0.148 0.000 2.315 318 L HA 0.210 4.550 4.340 -0.000 0.000 0.278 318 L C 2.143 179.150 176.870 0.229 0.000 1.088 318 L CA -0.608 54.333 54.840 0.168 0.000 0.899 318 L CB 0.160 42.336 42.059 0.195 0.000 1.277 318 L HN 0.806 nan 8.230 nan 0.000 0.431 319 T N -1.214 113.467 114.554 0.212 0.000 2.778 319 T HA -0.061 4.288 4.350 -0.000 0.000 0.269 319 T C 0.895 175.788 174.700 0.323 0.000 1.050 319 T CA 0.957 63.268 62.100 0.352 0.000 1.137 319 T CB -0.010 69.103 68.868 0.408 0.000 0.860 319 T HN 0.588 nan 8.240 nan 0.000 0.468 320 G N 0.153 109.071 108.800 0.197 0.000 2.672 320 G HA2 0.502 4.462 3.960 -0.000 0.000 0.292 320 G HA3 0.502 4.462 3.960 -0.000 0.000 0.292 320 G C -1.520 173.421 174.900 0.067 0.000 1.375 320 G CA -0.899 44.264 45.100 0.105 0.000 0.890 320 G HN 0.179 nan 8.290 nan 0.000 0.476 321 N N -0.083 118.615 118.700 -0.004 0.000 2.513 321 N HA 0.154 4.893 4.740 -0.000 0.000 0.268 321 N C 1.643 177.034 175.510 -0.199 0.000 1.180 321 N CA 0.569 53.589 53.050 -0.050 0.000 0.948 321 N CB 1.616 40.068 38.487 -0.059 0.000 1.083 321 N HN 0.550 nan 8.380 nan 0.000 0.455 322 G N 3.295 111.791 108.800 -0.508 0.000 2.448 322 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 322 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 322 G C 1.494 175.883 174.900 -0.853 0.000 1.127 322 G CA 0.385 44.701 45.100 -1.308 0.000 0.766 322 G HN 0.648 nan 8.290 nan 0.000 0.552 323 L N -0.116 120.899 121.223 -0.348 0.000 2.549 323 L HA 0.030 4.370 4.340 -0.000 0.000 0.229 323 L C 2.619 179.482 176.870 -0.011 0.000 1.158 323 L CA 0.401 55.245 54.840 0.007 0.000 0.842 323 L CB -0.133 41.981 42.059 0.092 0.000 0.952 323 L HN 0.057 nan 8.230 nan 0.000 0.452 324 K N -0.237 120.123 120.400 -0.068 0.000 2.217 324 K HA -0.073 4.247 4.320 -0.000 0.000 0.202 324 K C 0.384 176.973 176.600 -0.017 0.000 1.051 324 K CA 0.792 57.059 56.287 -0.033 0.000 0.952 324 K CB -0.041 32.435 32.500 -0.041 0.000 0.736 324 K HN 0.121 nan 8.250 nan 0.000 0.453 325 D N 0.542 120.929 120.400 -0.022 0.000 2.517 325 D HA 0.115 4.754 4.640 -0.000 0.000 0.301 325 D C -1.785 174.564 176.300 0.082 0.000 1.202 325 D CA -2.130 51.876 54.000 0.010 0.000 0.910 325 D CB 1.056 41.836 40.800 -0.033 0.000 1.021 325 D HN -0.087 nan 8.370 nan 0.000 0.499 326 P HA -0.074 nan 4.420 nan 0.000 0.221 326 P C 0.667 178.032 177.300 0.108 0.000 1.150 326 P CA 0.608 63.785 63.100 0.127 0.000 0.800 326 P CB 0.785 32.541 31.700 0.093 0.000 0.787 327 D N -0.098 120.345 120.400 0.072 0.000 2.097 327 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 327 D C 1.954 178.295 176.300 0.069 0.000 0.984 327 D CA 1.534 55.568 54.000 0.057 0.000 0.826 327 D CB -1.025 39.795 40.800 0.034 0.000 0.973 327 D HN 0.142 nan 8.370 nan 0.000 0.460 328 T N 0.896 115.488 114.554 0.063 0.000 2.821 328 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 328 T C 2.007 176.817 174.700 0.184 0.000 1.046 328 T CA 1.262 63.400 62.100 0.062 0.000 1.139 328 T CB -0.233 68.598 68.868 -0.062 0.000 0.871 328 T HN 0.183 nan 8.240 nan 0.000 0.454 329 A N 1.353 124.335 122.820 0.270 0.000 1.883 329 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 329 A C 2.268 179.958 177.584 0.178 0.000 1.186 329 A CA 1.319 53.558 52.037 0.335 0.000 0.624 329 A CB -0.788 18.440 19.000 0.380 0.000 0.822 329 A HN 0.526 nan 8.150 nan 0.000 0.444 330 I N -0.507 120.139 120.570 0.128 0.000 2.252 330 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 330 I C 2.211 178.371 176.117 0.072 0.000 1.102 330 I CA 1.159 62.506 61.300 0.079 0.000 1.385 330 I CB -0.205 37.833 38.000 0.063 0.000 1.064 330 I HN 0.164 nan 8.210 nan 0.000 0.414 331 K N 0.658 121.106 120.400 0.081 0.000 2.097 331 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 331 K C 1.924 178.569 176.600 0.076 0.000 1.049 331 K CA 1.549 57.876 56.287 0.067 0.000 0.933 331 K CB -0.839 31.696 32.500 0.058 0.000 0.717 331 K HN 0.429 nan 8.250 nan 0.000 0.442 332 V N -1.581 118.401 119.914 0.113 0.000 3.623 332 V HA 0.092 4.212 4.120 -0.000 0.000 0.271 332 V C 0.940 177.075 176.094 0.068 0.000 1.248 332 V CA -0.405 61.963 62.300 0.113 0.000 1.156 332 V CB -1.042 30.900 31.823 0.197 0.000 0.870 332 V HN -0.001 nan 8.190 nan 0.000 0.453 333 C N 2.035 121.365 119.300 0.051 0.000 2.527 333 C HA 0.434 4.894 4.460 -0.000 0.000 0.396 333 C C 0.649 175.648 174.990 0.015 0.000 1.289 333 C CA -0.435 58.595 59.018 0.020 0.000 2.047 333 C CB -0.303 27.444 27.740 0.012 0.000 2.568 333 C HN 0.603 nan 8.230 nan 0.000 0.573 334 E N 2.195 122.398 120.200 0.004 0.000 2.249 334 E HA 0.153 4.503 4.350 -0.000 0.000 0.280 334 E C -0.248 176.351 176.600 -0.003 0.000 1.016 334 E CA -0.416 55.986 56.400 0.003 0.000 0.830 334 E CB 0.752 30.452 29.700 -0.000 0.000 1.081 334 E HN 0.579 nan 8.360 nan 0.000 0.395 335 E N 3.013 123.212 120.200 -0.001 0.000 2.568 335 E HA -0.006 4.344 4.350 -0.000 0.000 0.262 335 E C -2.058 174.537 176.600 -0.009 0.000 0.961 335 E CA -0.834 55.564 56.400 -0.003 0.000 0.945 335 E CB -0.346 29.352 29.700 -0.002 0.000 0.924 335 E HN 0.270 nan 8.360 nan 0.000 0.467 336 P HA 0.065 nan 4.420 nan 0.000 0.267 336 P C -0.086 177.205 177.300 -0.016 0.000 1.200 336 P CA 0.087 63.178 63.100 -0.014 0.000 0.772 336 P CB 0.410 32.102 31.700 -0.012 0.000 0.855 337 I N 1.835 122.392 120.570 -0.021 0.000 2.452 337 I HA 0.038 4.207 4.170 -0.000 0.000 0.287 337 I C 0.722 176.825 176.117 -0.023 0.000 1.079 337 I CA 0.088 61.373 61.300 -0.024 0.000 1.387 337 I CB 0.273 38.253 38.000 -0.034 0.000 1.404 337 I HN 0.256 nan 8.210 nan 0.000 0.522 338 T N 6.279 120.821 114.554 -0.020 0.000 2.884 338 T HA 0.330 4.680 4.350 -0.000 0.000 0.298 338 T C -0.300 174.387 174.700 -0.022 0.000 0.998 338 T CA -0.152 61.938 62.100 -0.017 0.000 1.124 338 T CB 1.347 70.207 68.868 -0.013 0.000 0.931 338 T HN 0.362 nan 8.240 nan 0.000 0.531 339 V N 5.807 125.709 119.914 -0.020 0.000 2.932 339 V HA 0.577 4.696 4.120 -0.000 0.000 0.307 339 V C -2.289 173.796 176.094 -0.014 0.000 1.147 339 V CA -1.940 60.346 62.300 -0.024 0.000 0.951 339 V CB 2.352 34.153 31.823 -0.036 0.000 1.031 339 V HN 0.819 nan 8.190 nan 0.000 0.426 340 P HA 0.344 nan 4.420 nan 0.000 0.272 340 P C -2.640 174.663 177.300 0.005 0.000 1.223 340 P CA -1.306 61.791 63.100 -0.004 0.000 0.784 340 P CB 0.355 32.053 31.700 -0.005 0.000 0.923 341 P HA 0.089 nan 4.420 nan 0.000 0.235 341 P C -0.747 176.579 177.300 0.043 0.000 1.720 341 P CA 0.449 63.566 63.100 0.028 0.000 1.003 341 P CB -0.518 31.196 31.700 0.022 0.000 1.968 342 D N 0.283 120.710 120.400 0.046 0.000 2.549 342 D HA 0.144 4.784 4.640 -0.000 0.000 0.251 342 D C 0.719 177.078 176.300 0.098 0.000 1.153 342 D CA -0.758 53.282 54.000 0.067 0.000 0.861 342 D CB 0.774 41.593 40.800 0.030 0.000 1.207 342 D HN -0.145 nan 8.370 nan 0.000 0.543 343 F N 3.575 123.522 119.950 -0.005 0.000 2.043 343 F HA -0.265 4.262 4.527 -0.000 0.000 0.297 343 F C 1.538 177.334 175.800 -0.008 0.000 1.118 343 F CA 1.964 59.964 58.000 -0.000 0.000 1.202 343 F CB -0.104 38.902 39.000 0.009 0.000 0.965 343 F HN 0.449 nan 8.300 nan 0.000 0.482 344 D N -0.132 120.162 120.400 -0.178 0.000 2.123 344 D HA -0.211 4.429 4.640 -0.000 0.000 0.196 344 D C 2.130 178.291 176.300 -0.231 0.000 0.992 344 D CA 1.671 55.499 54.000 -0.286 0.000 0.833 344 D CB -0.466 40.278 40.800 -0.095 0.000 0.954 344 D HN 0.383 nan 8.370 nan 0.000 0.455 345 E N 0.929 121.050 120.200 -0.132 0.000 2.051 345 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 345 E C 2.204 178.712 176.600 -0.154 0.000 0.991 345 E CA 0.561 56.892 56.400 -0.114 0.000 0.799 345 E CB -0.380 29.283 29.700 -0.062 0.000 0.748 345 E HN 0.009 nan 8.360 nan 0.000 0.449 346 V N -0.062 119.763 119.914 -0.149 0.000 2.231 346 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 346 V C 2.479 178.398 176.094 -0.292 0.000 1.054 346 V CA 1.867 64.068 62.300 -0.163 0.000 1.015 346 V CB -0.669 31.106 31.823 -0.080 0.000 0.638 346 V HN 0.192 nan 8.190 nan 0.000 0.444 347 V N -0.117 119.561 119.914 -0.393 0.000 2.380 347 V HA -0.349 3.771 4.120 -0.000 0.000 0.251 347 V C 2.414 178.241 176.094 -0.445 0.000 1.063 347 V CA 2.504 64.502 62.300 -0.504 0.000 1.055 347 V CB -0.765 30.742 31.823 -0.526 0.000 0.657 347 V HN 0.590 nan 8.190 nan 0.000 0.455 348 K N -0.169 120.048 120.400 -0.306 0.000 2.097 348 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 348 K C 1.985 178.454 176.600 -0.218 0.000 1.050 348 K CA 1.422 57.577 56.287 -0.221 0.000 0.938 348 K CB -0.056 32.351 32.500 -0.155 0.000 0.718 348 K HN 0.374 nan 8.250 nan 0.000 0.442 349 V N 1.237 121.017 119.914 -0.224 0.000 2.453 349 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 349 V C 2.080 178.027 176.094 -0.245 0.000 1.048 349 V CA 1.127 63.314 62.300 -0.188 0.000 1.049 349 V CB -0.293 31.440 31.823 -0.149 0.000 0.672 349 V HN 0.213 nan 8.190 nan 0.000 0.457 350 L N 0.426 121.401 121.223 -0.412 0.000 2.095 350 L HA 0.312 4.652 4.340 -0.000 0.000 0.204 350 L C 1.584 178.138 176.870 -0.527 0.000 1.080 350 L CA 1.761 56.255 54.840 -0.575 0.000 0.759 350 L CB -1.035 40.340 42.059 -1.139 0.000 0.914 350 L HN 0.509 nan 8.230 nan 0.000 0.439 351 G N -1.131 107.350 108.800 -0.531 0.000 2.600 351 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.251 351 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.251 351 G C -0.253 174.670 174.900 0.039 0.000 1.142 351 G CA -0.536 44.439 45.100 -0.209 0.000 0.994 351 G HN -0.028 nan 8.290 nan 0.000 0.511 352 F N 0.000 119.914 119.950 -0.060 0.000 2.286 352 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 352 F CA 0.000 57.971 58.000 -0.048 0.000 1.383 352 F CB 0.000 38.970 39.000 -0.049 0.000 1.145 352 F HN 0.000 nan 8.300 nan 0.000 0.574