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 3h6e_1_B DATA FIRST_RESID 1 DATA SEQUENCE LSTGATIVID LGKTLSKVSL WDLDGRXLDR QVRPSIPLEI DGIRRLDAPD DATA SEQUENCE TGRWLLDVLS RYADHPVTTI VPVGHGAGIA ALTDGRLAFP PLDYEQSIPE DATA SEQUENCE AVXADYRSQR DPFARTGSPA LPDGLNIGSQ LWWLDQLHPD VXANATLLPW DATA SEQUENCE AQYWAWFLTG RAVSEVTSLG CHSDLWDPQD GDFSPXAKRL GWAARFAPIV DATA SEQUENCE RAGDTVGALL PAIAERTGLS PDVQVLAGLH DSNAALLAAR GFAEIADNEA DATA SEQUENCE TVLSTGTWFI AXRLPATPVD TATLPEARDC LVNVDVHGRP VPSARFXGGR DATA SEQUENCE EIETLIEIDT RRVDIKPDQP ALLAAVPEVL RHGRXILPTL XRGFGPYPHG DATA SEQUENCE RFAWINRPED WFERRAAACL YAALVADTAL DLIGSTGRIL VEGRFAEADV DATA SEQUENCE FVRALASLRP DCAVYTANAH XXXSFGALRL IDPGLRPQGE LVRIEPLDTG DATA SEQUENCE XWADLDTYRN RWQAEVEAAK V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.847 176.870 -0.038 0.000 1.165 1 L CA 0.000 54.821 54.840 -0.032 0.000 0.813 1 L CB 0.000 42.039 42.059 -0.033 0.000 0.961 2 S N -0.142 115.503 115.700 -0.093 0.000 2.564 2 S HA 0.399 4.869 4.470 0.000 0.000 0.278 2 S C 0.878 175.489 174.600 0.017 0.000 1.333 2 S CA 0.307 58.420 58.200 -0.145 0.000 1.048 2 S CB 1.051 63.924 63.200 -0.546 0.000 0.900 2 S HN 0.441 nan 8.310 nan 0.000 0.505 3 T N -1.043 113.627 114.554 0.193 0.000 3.003 3 T HA 0.345 4.695 4.350 0.000 0.000 0.261 3 T C 0.971 175.767 174.700 0.159 0.000 1.003 3 T CA 0.093 62.280 62.100 0.144 0.000 0.917 3 T CB -0.453 68.465 68.868 0.082 0.000 1.084 3 T HN 0.940 nan 8.240 nan 0.000 0.522 4 G N 0.803 109.768 108.800 0.274 0.000 2.248 4 G HA2 0.450 4.410 3.960 0.000 0.000 0.260 4 G HA3 0.450 4.410 3.960 0.000 0.000 0.260 4 G C 0.793 175.715 174.900 0.038 0.000 1.214 4 G CA 0.027 45.117 45.100 -0.016 0.000 0.979 4 G HN 0.518 nan 8.290 nan 0.000 0.454 5 A N 2.364 125.196 122.820 0.020 0.000 2.108 5 A HA 0.488 4.808 4.320 0.000 0.000 0.206 5 A C 1.439 179.028 177.584 0.008 0.000 1.212 5 A CA 1.298 53.349 52.037 0.024 0.000 0.843 5 A CB 0.343 19.360 19.000 0.028 0.000 0.902 5 A HN 1.141 nan 8.150 nan 0.000 0.477 6 T N -1.463 113.098 114.554 0.011 0.000 2.886 6 T HA 0.707 5.057 4.350 0.000 0.000 0.292 6 T C -0.811 173.903 174.700 0.025 0.000 1.012 6 T CA -0.482 61.622 62.100 0.006 0.000 0.982 6 T CB 1.162 70.018 68.868 -0.020 0.000 1.018 6 T HN 0.131 nan 8.240 nan 0.000 0.451 7 I N 2.858 123.432 120.570 0.006 0.000 2.359 7 I HA 0.506 4.676 4.170 0.000 0.000 0.294 7 I C -0.458 175.689 176.117 0.050 0.000 0.987 7 I CA -1.285 60.033 61.300 0.031 0.000 1.225 7 I CB 1.934 39.960 38.000 0.043 0.000 1.366 7 I HN 0.416 nan 8.210 nan 0.000 0.466 8 V N 7.131 127.113 119.914 0.114 0.000 2.398 8 V HA 0.424 4.544 4.120 0.000 0.000 0.286 8 V C 0.045 176.194 176.094 0.093 0.000 1.026 8 V CA -0.624 61.710 62.300 0.057 0.000 0.868 8 V CB 1.636 33.467 31.823 0.013 0.000 0.982 8 V HN 0.548 nan 8.190 nan 0.000 0.443 9 I N 1.026 121.619 120.570 0.039 0.000 2.377 9 I HA 0.699 4.869 4.170 0.000 0.000 0.293 9 I C -0.879 175.235 176.117 -0.005 0.000 0.987 9 I CA -0.222 61.091 61.300 0.023 0.000 1.185 9 I CB 1.889 39.870 38.000 -0.032 0.000 1.341 9 I HN 0.489 nan 8.210 nan 0.000 0.455 10 D N 7.916 128.330 120.400 0.023 0.000 2.420 10 D HA 0.237 4.877 4.640 0.000 0.000 0.255 10 D C -0.863 175.460 176.300 0.037 0.000 1.185 10 D CA -0.414 53.608 54.000 0.037 0.000 0.904 10 D CB 1.466 42.316 40.800 0.083 0.000 1.102 10 D HN 0.443 nan 8.370 nan 0.000 0.534 11 L N 3.719 124.942 121.223 0.000 0.000 2.399 11 L HA 0.397 4.737 4.340 0.000 0.000 0.257 11 L C 1.437 178.554 176.870 0.413 0.000 1.236 11 L CA -0.270 54.625 54.840 0.092 0.000 1.144 11 L CB -0.215 41.749 42.059 -0.158 0.000 1.379 11 L HN 0.299 nan 8.230 nan 0.000 0.414 12 G N 0.896 109.865 108.800 0.283 0.000 2.651 12 G HA2 0.166 4.126 3.960 0.000 0.000 0.260 12 G HA3 0.166 4.126 3.960 0.000 0.000 0.260 12 G C 0.950 176.023 174.900 0.288 0.000 1.216 12 G CA -0.300 44.981 45.100 0.301 0.000 0.913 12 G HN 0.461 nan 8.290 nan 0.000 0.535 13 K N -1.105 119.323 120.400 0.048 0.000 2.057 13 K HA -0.082 4.238 4.320 0.000 0.000 0.206 13 K C 2.519 179.014 176.600 -0.175 0.000 1.050 13 K CA 2.476 58.568 56.287 -0.325 0.000 0.935 13 K CB -0.364 31.912 32.500 -0.373 0.000 0.715 13 K HN 0.566 nan 8.250 nan 0.000 0.439 14 T N -2.891 111.616 114.554 -0.078 0.000 2.990 14 T HA 0.318 4.668 4.350 0.000 0.000 0.249 14 T C 0.555 175.222 174.700 -0.055 0.000 1.039 14 T CA -0.352 61.705 62.100 -0.072 0.000 1.036 14 T CB 0.203 69.037 68.868 -0.058 0.000 0.994 14 T HN -0.017 nan 8.240 nan 0.000 0.489 15 L N 1.760 122.968 121.223 -0.024 0.000 2.365 15 L HA 0.612 4.952 4.340 0.000 0.000 0.273 15 L C -0.782 176.072 176.870 -0.027 0.000 1.000 15 L CA -0.918 53.896 54.840 -0.044 0.000 0.819 15 L CB 2.386 44.434 42.059 -0.018 0.000 1.284 15 L HN 0.037 nan 8.230 nan 0.000 0.418 16 S N 2.606 118.231 115.700 -0.127 0.000 2.442 16 S HA 0.532 5.002 4.470 0.000 0.000 0.297 16 S C -0.683 173.911 174.600 -0.011 0.000 1.131 16 S CA -0.815 57.319 58.200 -0.109 0.000 1.092 16 S CB 1.140 64.168 63.200 -0.287 0.000 0.998 16 S HN 0.407 nan 8.310 nan 0.000 0.478 17 K N 1.672 122.162 120.400 0.149 0.000 2.375 17 K HA 0.721 5.041 4.320 0.000 0.000 0.249 17 K C -1.406 175.362 176.600 0.281 0.000 0.942 17 K CA -0.901 55.534 56.287 0.247 0.000 0.806 17 K CB 2.166 34.766 32.500 0.166 0.000 1.227 17 K HN 0.291 nan 8.250 nan 0.000 0.430 18 V N 1.561 121.651 119.914 0.293 0.000 2.588 18 V HA 0.454 4.574 4.120 0.000 0.000 0.304 18 V C -0.805 175.418 176.094 0.215 0.000 1.042 18 V CA -0.563 61.858 62.300 0.202 0.000 0.877 18 V CB 1.882 33.751 31.823 0.077 0.000 0.996 18 V HN 1.015 nan 8.190 nan 0.000 0.425 19 S N 4.695 120.515 115.700 0.199 0.000 2.546 19 S HA 0.849 5.319 4.470 0.000 0.000 0.274 19 S C -1.346 173.217 174.600 -0.062 0.000 1.121 19 S CA -0.750 57.497 58.200 0.079 0.000 0.887 19 S CB 2.101 65.396 63.200 0.159 0.000 1.094 19 S HN 0.672 nan 8.310 nan 0.000 0.474 20 L N 1.921 122.872 121.223 -0.454 0.000 2.341 20 L HA 0.892 5.232 4.340 0.000 0.000 0.278 20 L C -1.958 174.611 176.870 -0.501 0.000 1.005 20 L CA -0.123 54.388 54.840 -0.547 0.000 0.818 20 L CB 0.948 42.340 42.059 -1.111 0.000 1.259 20 L HN 0.897 nan 8.230 nan 0.000 0.418 21 W N 2.423 123.581 121.300 -0.236 0.000 2.882 21 W HA 0.517 5.177 4.660 0.000 0.000 0.345 21 W C -0.594 175.858 176.519 -0.111 0.000 1.125 21 W CA -0.582 56.685 57.345 -0.131 0.000 1.167 21 W CB 1.180 30.602 29.460 -0.064 0.000 1.431 21 W HN 0.632 nan 8.180 nan 0.000 0.543 22 D N -0.366 120.129 120.400 0.158 0.000 2.478 22 D HA 0.243 4.883 4.640 0.000 0.000 0.263 22 D C 0.858 177.224 176.300 0.109 0.000 1.153 22 D CA -0.613 53.442 54.000 0.093 0.000 1.038 22 D CB 0.538 41.372 40.800 0.057 0.000 1.120 22 D HN 0.370 nan 8.370 nan 0.000 0.564 23 L N -0.700 120.565 121.223 0.070 0.000 2.187 23 L HA -0.119 4.221 4.340 0.000 0.000 0.213 23 L C 0.866 177.775 176.870 0.065 0.000 1.100 23 L CA 1.276 56.148 54.840 0.054 0.000 0.765 23 L CB -0.318 41.763 42.059 0.035 0.000 0.904 23 L HN 0.382 nan 8.230 nan 0.000 0.437 24 D N -0.109 120.335 120.400 0.074 0.000 2.328 24 D HA 0.093 4.733 4.640 0.000 0.000 0.226 24 D C 1.442 177.813 176.300 0.119 0.000 1.066 24 D CA 0.841 54.883 54.000 0.072 0.000 0.861 24 D CB 0.366 41.192 40.800 0.045 0.000 0.912 24 D HN 0.325 nan 8.370 nan 0.000 0.521 25 G N 1.166 110.083 108.800 0.195 0.000 2.160 25 G HA2 -0.279 3.681 3.960 0.000 0.000 0.244 25 G HA3 -0.279 3.681 3.960 0.000 0.000 0.244 25 G C 0.543 175.706 174.900 0.437 0.000 1.022 25 G CA -0.052 45.261 45.100 0.355 0.000 0.741 25 G HN 0.236 nan 8.290 nan 0.000 0.508 29 D N 0.105 120.319 120.400 -0.311 0.000 2.706 29 D HA 0.489 5.129 4.640 0.000 0.000 0.225 29 D C -1.292 174.941 176.300 -0.112 0.000 1.241 29 D CA -0.299 53.616 54.000 -0.142 0.000 0.784 29 D CB 2.231 43.032 40.800 0.002 0.000 1.521 29 D HN 0.053 nan 8.370 nan 0.000 0.461 30 R N 2.166 122.661 120.500 -0.008 0.000 2.574 30 R HA 0.523 4.863 4.340 0.000 0.000 0.288 30 R C -1.368 174.998 176.300 0.110 0.000 1.004 30 R CA -0.636 55.494 56.100 0.050 0.000 0.895 30 R CB 1.319 31.634 30.300 0.024 0.000 1.191 30 R HN 0.350 nan 8.270 nan 0.000 0.444 31 Q N 2.794 122.695 119.800 0.168 0.000 2.375 31 Q HA 0.443 4.783 4.340 0.000 0.000 0.271 31 Q C -0.971 175.233 176.000 0.340 0.000 1.074 31 Q CA -0.868 55.066 55.803 0.217 0.000 0.808 31 Q CB 2.573 31.409 28.738 0.162 0.000 1.327 31 Q HN 0.539 nan 8.270 nan 0.000 0.441 32 V N -0.815 119.279 119.914 0.300 0.000 2.876 32 V HA 0.832 4.952 4.120 0.000 0.000 0.312 32 V C -0.829 175.234 176.094 -0.051 0.000 1.085 32 V CA -1.013 61.381 62.300 0.158 0.000 0.945 32 V CB 2.716 34.578 31.823 0.066 0.000 1.017 32 V HN 0.790 nan 8.190 nan 0.000 0.428 33 R N 3.487 123.722 120.500 -0.442 0.000 2.515 33 R HA 0.571 4.911 4.340 0.000 0.000 0.291 33 R C -3.137 172.889 176.300 -0.457 0.000 1.046 33 R CA -1.782 53.908 56.100 -0.683 0.000 0.914 33 R CB 2.835 32.117 30.300 -1.697 0.000 1.191 33 R HN 0.639 nan 8.270 nan 0.000 0.435 34 P HA 0.012 nan 4.420 nan 0.000 0.268 34 P C -0.697 176.488 177.300 -0.193 0.000 1.204 34 P CA 0.068 63.056 63.100 -0.186 0.000 0.768 34 P CB 1.123 32.746 31.700 -0.128 0.000 0.842 35 S N 2.459 118.076 115.700 -0.139 0.000 2.565 35 S HA 0.367 4.837 4.470 0.000 0.000 0.276 35 S C 0.070 174.621 174.600 -0.081 0.000 1.326 35 S CA -0.473 57.667 58.200 -0.100 0.000 1.045 35 S CB -0.212 62.951 63.200 -0.062 0.000 0.918 35 S HN 0.225 nan 8.310 nan 0.000 0.505 36 I N 5.511 126.046 120.570 -0.059 0.000 2.336 36 I HA 0.305 4.475 4.170 0.000 0.000 0.292 36 I C -2.188 173.904 176.117 -0.042 0.000 0.991 36 I CA -2.479 58.793 61.300 -0.047 0.000 1.227 36 I CB 1.678 39.659 38.000 -0.032 0.000 1.366 36 I HN 0.418 nan 8.210 nan 0.000 0.466 37 P HA 0.256 nan 4.420 nan 0.000 0.274 37 P C -0.859 176.422 177.300 -0.031 0.000 1.291 37 P CA 0.098 63.167 63.100 -0.052 0.000 0.815 37 P CB 0.275 31.942 31.700 -0.053 0.000 0.897 38 L N 2.593 123.800 121.223 -0.027 0.000 2.334 38 L HA 0.555 4.895 4.340 0.000 0.000 0.272 38 L C 0.604 177.469 176.870 -0.007 0.000 1.020 38 L CA -0.612 54.222 54.840 -0.010 0.000 0.812 38 L CB 1.845 43.904 42.059 -0.000 0.000 1.264 38 L HN 0.300 nan 8.230 nan 0.000 0.439 39 E N 2.590 122.792 120.200 0.003 0.000 2.265 39 E HA 0.449 4.799 4.350 0.000 0.000 0.262 39 E C -1.771 174.837 176.600 0.013 0.000 0.889 39 E CA -0.591 55.815 56.400 0.010 0.000 0.789 39 E CB 2.405 32.114 29.700 0.015 0.000 1.221 39 E HN 0.484 nan 8.360 nan 0.000 0.414 40 I N 3.695 124.273 120.570 0.013 0.000 2.509 40 I HA 0.364 4.534 4.170 0.000 0.000 0.293 40 I C -0.524 175.596 176.117 0.007 0.000 1.020 40 I CA 0.047 61.353 61.300 0.011 0.000 1.088 40 I CB 1.616 39.622 38.000 0.010 0.000 1.267 40 I HN 0.666 nan 8.210 nan 0.000 0.430 41 D N 5.115 125.519 120.400 0.006 0.000 2.907 41 D HA -0.166 4.475 4.640 0.000 0.000 0.226 41 D C 0.985 177.291 176.300 0.010 0.000 1.141 41 D CA 1.708 55.709 54.000 0.002 0.000 0.779 41 D CB -1.115 39.676 40.800 -0.014 0.000 1.095 41 D HN 1.345 nan 8.370 nan 0.000 0.430 42 G N -1.385 107.433 108.800 0.029 0.000 2.184 42 G HA2 -0.326 3.634 3.960 0.000 0.000 0.264 42 G HA3 -0.326 3.634 3.960 0.000 0.000 0.264 42 G C 0.316 175.268 174.900 0.087 0.000 0.975 42 G CA 0.548 45.682 45.100 0.057 0.000 0.642 42 G HN 0.504 nan 8.290 nan 0.000 0.536 43 I N 0.515 121.116 120.570 0.052 0.000 2.474 43 I HA 0.511 4.681 4.170 0.000 0.000 0.294 43 I C 0.716 176.863 176.117 0.051 0.000 1.005 43 I CA -0.932 60.410 61.300 0.071 0.000 1.113 43 I CB 1.680 39.661 38.000 -0.032 0.000 1.289 43 I HN 0.054 nan 8.210 nan 0.000 0.436 44 R N 4.522 125.061 120.500 0.066 0.000 2.438 44 R HA 0.567 4.907 4.340 0.000 0.000 0.287 44 R C -0.458 175.845 176.300 0.004 0.000 1.077 44 R CA -0.616 55.499 56.100 0.025 0.000 1.034 44 R CB 0.739 31.047 30.300 0.013 0.000 0.993 44 R HN 0.382 nan 8.270 nan 0.000 0.459 45 R N 1.438 121.927 120.500 -0.018 0.000 2.919 45 R HA 0.340 4.680 4.340 0.000 0.000 0.260 45 R C 0.714 176.970 176.300 -0.073 0.000 1.067 45 R CA -0.688 55.394 56.100 -0.030 0.000 1.003 45 R CB 0.829 31.126 30.300 -0.005 0.000 1.192 45 R HN 0.480 nan 8.270 nan 0.000 0.488 46 L N 0.478 121.643 121.223 -0.097 0.000 2.477 46 L HA 0.147 4.487 4.340 0.000 0.000 0.220 46 L C -0.232 176.626 176.870 -0.021 0.000 1.106 46 L CA 0.677 55.424 54.840 -0.156 0.000 0.851 46 L CB 0.172 42.003 42.059 -0.380 0.000 0.994 46 L HN 0.731 nan 8.230 nan 0.000 0.462 47 D N -1.566 118.863 120.400 0.049 0.000 2.995 47 D HA -0.157 4.483 4.640 0.000 0.000 0.219 47 D C 1.088 177.542 176.300 0.256 0.000 1.090 47 D CA 0.678 54.747 54.000 0.115 0.000 0.816 47 D CB -0.719 40.126 40.800 0.076 0.000 1.091 47 D HN 0.290 nan 8.370 nan 0.000 0.440 48 A N -0.076 122.918 122.820 0.290 0.000 1.851 48 A HA -0.024 4.296 4.320 0.000 0.000 0.216 48 A C -0.231 177.569 177.584 0.359 0.000 1.195 48 A CA 1.859 54.138 52.037 0.404 0.000 0.622 48 A CB -1.150 17.893 19.000 0.073 0.000 0.831 48 A HN 0.441 nan 8.150 nan 0.000 0.444 49 P HA -0.130 nan 4.420 nan 0.000 0.215 49 P C 0.526 177.966 177.300 0.233 0.000 1.157 49 P CA 1.532 64.770 63.100 0.230 0.000 0.868 49 P CB -0.114 31.684 31.700 0.163 0.000 0.788 50 D N -1.535 118.982 120.400 0.194 0.000 2.144 50 D HA -0.087 4.553 4.640 0.000 0.000 0.200 50 D C 1.850 178.273 176.300 0.205 0.000 0.978 50 D CA 1.304 55.406 54.000 0.170 0.000 0.833 50 D CB -0.949 39.916 40.800 0.108 0.000 0.961 50 D HN 0.130 nan 8.370 nan 0.000 0.470 51 T N -0.251 114.436 114.554 0.222 0.000 2.788 51 T HA -0.091 4.259 4.350 0.000 0.000 0.268 51 T C 1.943 176.775 174.700 0.221 0.000 1.044 51 T CA 1.392 63.610 62.100 0.196 0.000 1.139 51 T CB -0.531 68.433 68.868 0.161 0.000 0.867 51 T HN 0.245 nan 8.240 nan 0.000 0.454 52 G N 1.362 110.311 108.800 0.248 0.000 2.404 52 G HA2 -0.175 3.785 3.960 0.000 0.000 0.215 52 G HA3 -0.175 3.785 3.960 0.000 0.000 0.215 52 G C 1.718 176.788 174.900 0.283 0.000 1.174 52 G CA 0.260 45.421 45.100 0.102 0.000 0.780 52 G HN 0.397 nan 8.290 nan 0.000 0.537 53 R N -1.028 119.645 120.500 0.287 0.000 2.091 53 R HA -0.127 4.213 4.340 0.000 0.000 0.238 53 R C 2.263 178.693 176.300 0.217 0.000 1.136 53 R CA 1.482 57.726 56.100 0.241 0.000 0.959 53 R CB -0.462 29.958 30.300 0.201 0.000 0.856 53 R HN 0.557 nan 8.270 nan 0.000 0.437 54 W N 1.258 122.587 121.300 0.049 0.000 2.355 54 W HA -0.213 4.447 4.660 0.000 0.000 0.309 54 W C 1.721 178.238 176.519 -0.004 0.000 1.206 54 W CA 0.994 58.345 57.345 0.011 0.000 1.284 54 W CB -0.447 29.008 29.460 -0.009 0.000 1.145 54 W HN -0.008 nan 8.180 nan 0.000 0.502 55 L N 0.955 122.168 121.223 -0.015 0.000 2.013 55 L HA -0.245 4.095 4.340 0.000 0.000 0.212 55 L C 2.490 179.242 176.870 -0.196 0.000 1.073 55 L CA 2.055 56.747 54.840 -0.246 0.000 0.753 55 L CB -1.392 40.646 42.059 -0.035 0.000 0.890 55 L HN 0.137 nan 8.230 nan 0.000 0.432 56 L N -1.124 120.098 121.223 -0.001 0.000 2.079 56 L HA -0.234 4.106 4.340 0.000 0.000 0.210 56 L C 2.193 179.001 176.870 -0.104 0.000 1.081 56 L CA 1.281 56.121 54.840 0.000 0.000 0.752 56 L CB -0.813 41.295 42.059 0.081 0.000 0.896 56 L HN 0.308 nan 8.230 nan 0.000 0.433 57 D N -0.303 120.006 120.400 -0.152 0.000 2.084 57 D HA -0.159 4.481 4.640 0.000 0.000 0.199 57 D C 2.166 178.285 176.300 -0.302 0.000 0.981 57 D CA 1.120 55.011 54.000 -0.181 0.000 0.841 57 D CB -0.509 40.211 40.800 -0.133 0.000 0.997 57 D HN 0.047 nan 8.370 nan 0.000 0.454 58 V N 1.016 120.620 119.914 -0.516 0.000 2.568 58 V HA -0.183 3.937 4.120 0.000 0.000 0.253 58 V C 2.213 177.964 176.094 -0.573 0.000 1.072 58 V CA 1.158 63.095 62.300 -0.606 0.000 1.084 58 V CB -0.366 30.875 31.823 -0.970 0.000 0.676 58 V HN 0.189 nan 8.190 nan 0.000 0.469 59 L N 0.346 121.312 121.223 -0.429 0.000 2.217 59 L HA -0.075 4.265 4.340 0.000 0.000 0.211 59 L C 2.603 179.326 176.870 -0.245 0.000 1.107 59 L CA 1.598 56.260 54.840 -0.297 0.000 0.783 59 L CB -0.447 41.528 42.059 -0.141 0.000 0.919 59 L HN 0.620 nan 8.230 nan 0.000 0.442 60 S N -0.673 114.893 115.700 -0.223 0.000 2.515 60 S HA -0.118 4.352 4.470 0.000 0.000 0.231 60 S C 1.852 176.356 174.600 -0.159 0.000 0.987 60 S CA 0.241 58.356 58.200 -0.142 0.000 0.936 60 S CB -0.286 62.851 63.200 -0.106 0.000 0.766 60 S HN 0.390 nan 8.310 nan 0.000 0.528 61 R N -0.400 119.911 120.500 -0.314 0.000 2.285 61 R HA 0.036 4.376 4.340 0.000 0.000 0.213 61 R C 0.412 176.637 176.300 -0.125 0.000 1.068 61 R CA 0.917 56.840 56.100 -0.294 0.000 1.004 61 R CB -0.255 29.771 30.300 -0.457 0.000 0.873 61 R HN 0.513 nan 8.270 nan 0.000 0.467 62 Y N -1.101 119.198 120.300 -0.002 0.000 2.555 62 Y HA 0.340 4.890 4.550 0.000 0.000 0.259 62 Y C 1.590 177.541 175.900 0.085 0.000 1.179 62 Y CA -1.126 57.002 58.100 0.046 0.000 1.230 62 Y CB -0.061 38.384 38.460 -0.026 0.000 1.146 62 Y HN -0.010 nan 8.280 nan 0.000 0.526 63 A N -0.495 122.420 122.820 0.160 0.000 2.067 63 A HA -0.097 4.224 4.320 0.000 0.000 0.219 63 A C 1.336 178.968 177.584 0.079 0.000 1.158 63 A CA 1.584 53.676 52.037 0.092 0.000 0.661 63 A CB -0.187 18.831 19.000 0.031 0.000 0.801 63 A HN 0.185 nan 8.150 nan 0.000 0.452 64 D N -0.968 119.486 120.400 0.089 0.000 2.388 64 D HA 0.161 4.801 4.640 0.000 0.000 0.221 64 D C -0.457 175.766 176.300 -0.128 0.000 1.133 64 D CA 0.166 54.154 54.000 -0.019 0.000 0.831 64 D CB -0.012 40.752 40.800 -0.061 0.000 0.962 64 D HN 0.550 nan 8.370 nan 0.000 0.502 65 H N -0.242 118.849 119.070 0.035 0.000 2.533 65 H HA 0.324 4.880 4.556 0.000 0.000 0.343 65 H C -2.017 173.317 175.328 0.009 0.000 1.160 65 H CA -1.875 54.182 56.048 0.014 0.000 1.218 65 H CB 1.326 31.087 29.762 -0.001 0.000 1.566 65 H HN -0.234 nan 8.280 nan 0.000 0.522 66 P HA 0.040 nan 4.420 nan 0.000 0.230 66 P C -0.692 176.644 177.300 0.060 0.000 1.791 66 P CA -0.131 63.005 63.100 0.061 0.000 1.020 66 P CB -0.386 31.338 31.700 0.040 0.000 1.977 67 V N 2.107 122.060 119.914 0.065 0.000 2.521 67 V HA 0.060 4.180 4.120 0.000 0.000 0.286 67 V C 1.674 177.781 176.094 0.021 0.000 1.034 67 V CA 0.900 63.222 62.300 0.037 0.000 1.045 67 V CB 0.564 32.412 31.823 0.042 0.000 0.974 67 V HN 0.424 nan 8.190 nan 0.000 0.480 68 T N -0.162 114.397 114.554 0.009 0.000 2.959 68 T HA 0.186 4.536 4.350 0.000 0.000 0.254 68 T C 0.516 175.211 174.700 -0.009 0.000 1.003 68 T CA 0.028 62.127 62.100 -0.001 0.000 0.950 68 T CB 0.416 69.282 68.868 -0.003 0.000 1.090 68 T HN 0.587 nan 8.240 nan 0.000 0.503 69 T N 1.854 116.401 114.554 -0.012 0.000 2.952 69 T HA 0.660 5.011 4.350 0.000 0.000 0.305 69 T C -1.120 173.569 174.700 -0.019 0.000 1.064 69 T CA -0.600 61.487 62.100 -0.022 0.000 1.008 69 T CB 2.024 70.869 68.868 -0.038 0.000 1.078 69 T HN 0.210 nan 8.240 nan 0.000 0.459 70 I N 2.276 122.836 120.570 -0.017 0.000 2.433 70 I HA 0.586 4.756 4.170 0.000 0.000 0.292 70 I C -0.726 175.376 176.117 -0.024 0.000 1.001 70 I CA -1.137 60.157 61.300 -0.010 0.000 1.119 70 I CB 1.962 39.968 38.000 0.009 0.000 1.289 70 I HN 0.286 nan 8.210 nan 0.000 0.438 71 V N 7.396 127.288 119.914 -0.036 0.000 2.444 71 V HA 0.424 4.544 4.120 0.000 0.000 0.294 71 V C -2.484 173.591 176.094 -0.033 0.000 1.022 71 V CA -1.765 60.503 62.300 -0.053 0.000 0.850 71 V CB 1.595 33.354 31.823 -0.108 0.000 0.992 71 V HN 0.539 nan 8.190 nan 0.000 0.426 72 P HA 0.530 nan 4.420 nan 0.000 0.294 72 P C -1.044 176.255 177.300 -0.003 0.000 1.294 72 P CA -0.469 62.634 63.100 0.006 0.000 0.827 72 P CB 1.693 33.428 31.700 0.058 0.000 0.992 73 V N 2.421 122.332 119.914 -0.004 0.000 2.735 73 V HA 0.876 4.996 4.120 0.000 0.000 0.310 73 V C 0.428 176.561 176.094 0.064 0.000 1.061 73 V CA -0.443 61.868 62.300 0.019 0.000 0.913 73 V CB 2.147 33.968 31.823 -0.003 0.000 1.005 73 V HN 0.782 nan 8.190 nan 0.000 0.428 74 G N 0.950 109.835 108.800 0.141 0.000 2.667 74 G HA2 0.627 4.587 3.960 0.000 0.000 0.298 74 G HA3 0.627 4.587 3.960 0.000 0.000 0.298 74 G C -1.055 174.080 174.900 0.392 0.000 1.377 74 G CA -0.742 44.522 45.100 0.273 0.000 0.964 74 G HN 1.062 nan 8.290 nan 0.000 0.493 75 H N -0.487 118.916 119.070 0.556 0.000 2.671 75 H HA 0.636 5.192 4.556 0.000 0.000 0.372 75 H C 0.862 176.448 175.328 0.430 0.000 1.227 75 H CA -0.015 56.288 56.048 0.426 0.000 1.426 75 H CB 0.636 30.573 29.762 0.293 0.000 1.480 75 H HN 0.632 nan 8.280 nan 0.000 0.611 76 G N -1.249 107.885 108.800 0.557 0.000 2.557 76 G HA2 0.408 4.368 3.960 0.000 0.000 0.292 76 G HA3 0.408 4.368 3.960 0.000 0.000 0.292 76 G C 0.147 175.138 174.900 0.151 0.000 1.237 76 G CA -0.758 44.389 45.100 0.078 0.000 0.978 76 G HN 1.559 nan 8.290 nan 0.000 0.498 77 A N -1.945 120.827 122.820 -0.080 0.000 2.783 77 A HA 0.125 4.445 4.320 0.000 0.000 0.292 77 A C 0.899 178.604 177.584 0.201 0.000 1.495 77 A CA 1.541 53.578 52.037 0.000 0.000 0.787 77 A CB -1.525 17.372 19.000 -0.172 0.000 1.017 77 A HN 2.192 nan 8.150 nan 0.000 0.516 78 G N -1.263 107.629 108.800 0.154 0.000 2.609 78 G HA2 0.686 4.646 3.960 0.000 0.000 0.308 78 G HA3 0.686 4.646 3.960 0.000 0.000 0.308 78 G C -0.978 174.001 174.900 0.131 0.000 1.369 78 G CA -0.145 45.021 45.100 0.110 0.000 0.958 78 G HN 1.147 nan 8.290 nan 0.000 0.499 79 I N 1.677 122.295 120.570 0.080 0.000 2.582 79 I HA 0.798 4.968 4.170 0.000 0.000 0.292 79 I C -0.080 175.998 176.117 -0.065 0.000 1.066 79 I CA -0.707 60.618 61.300 0.043 0.000 1.053 79 I CB 2.032 40.048 38.000 0.027 0.000 1.241 79 I HN 0.710 nan 8.210 nan 0.000 0.421 80 A N 5.601 128.340 122.820 -0.135 0.000 2.337 80 A HA 0.991 5.311 4.320 0.000 0.000 0.331 80 A C -1.088 176.256 177.584 -0.400 0.000 1.137 80 A CA -0.313 51.525 52.037 -0.333 0.000 0.807 80 A CB 1.412 20.187 19.000 -0.375 0.000 1.250 80 A HN 1.057 nan 8.150 nan 0.000 0.468 81 A N 1.294 123.779 122.820 -0.559 0.000 2.356 81 A HA 0.696 5.017 4.320 0.000 0.000 0.310 81 A C -0.971 176.348 177.584 -0.442 0.000 1.075 81 A CA -0.352 51.423 52.037 -0.437 0.000 0.746 81 A CB 0.647 19.474 19.000 -0.287 0.000 1.221 81 A HN 0.769 nan 8.150 nan 0.000 0.443 82 L N 1.412 122.413 121.223 -0.370 0.000 2.329 82 L HA 0.766 5.106 4.340 0.000 0.000 0.279 82 L C 0.146 176.885 176.870 -0.218 0.000 1.014 82 L CA -0.400 54.212 54.840 -0.380 0.000 0.814 82 L CB 2.292 44.027 42.059 -0.540 0.000 1.257 82 L HN 0.702 nan 8.230 nan 0.000 0.424 83 T N 0.724 115.184 114.554 -0.157 0.000 3.109 83 T HA 0.227 4.577 4.350 0.000 0.000 0.311 83 T C -0.541 174.140 174.700 -0.031 0.000 1.011 83 T CA -0.387 61.668 62.100 -0.075 0.000 1.026 83 T CB 0.599 69.436 68.868 -0.053 0.000 1.047 83 T HN 0.713 nan 8.240 nan 0.000 0.448 84 D N 3.640 124.038 120.400 -0.004 0.000 2.697 84 D HA -0.153 4.487 4.640 0.000 0.000 0.238 84 D C 1.076 177.418 176.300 0.070 0.000 1.152 84 D CA 2.659 56.676 54.000 0.028 0.000 0.666 84 D CB -1.313 39.498 40.800 0.019 0.000 1.037 84 D HN 1.578 nan 8.370 nan 0.000 0.423 85 G N 0.358 109.232 108.800 0.122 0.000 2.153 85 G HA2 -0.317 3.643 3.960 0.000 0.000 0.252 85 G HA3 -0.317 3.643 3.960 0.000 0.000 0.252 85 G C 0.275 175.400 174.900 0.376 0.000 0.994 85 G CA 0.992 46.263 45.100 0.285 0.000 0.698 85 G HN 0.990 nan 8.290 nan 0.000 0.521 86 R N -1.398 119.197 120.500 0.158 0.000 2.734 86 R HA 0.680 5.020 4.340 0.000 0.000 0.271 86 R C -0.411 175.826 176.300 -0.106 0.000 1.021 86 R CA -1.319 54.857 56.100 0.127 0.000 0.893 86 R CB 0.720 31.089 30.300 0.115 0.000 1.244 86 R HN 0.164 nan 8.270 nan 0.000 0.464 87 L N 1.887 123.041 121.223 -0.115 0.000 2.540 87 L HA 0.059 4.399 4.340 0.000 0.000 0.276 87 L C 1.544 178.286 176.870 -0.214 0.000 1.212 87 L CA 0.436 55.118 54.840 -0.264 0.000 0.893 87 L CB 0.958 42.856 42.059 -0.267 0.000 1.138 87 L HN 1.008 nan 8.230 nan 0.000 0.491 88 A N 5.044 127.695 122.820 -0.281 0.000 2.119 88 A HA 0.121 4.441 4.320 0.000 0.000 0.217 88 A C 0.333 177.965 177.584 0.082 0.000 1.153 88 A CA 0.866 52.853 52.037 -0.084 0.000 0.692 88 A CB -0.348 18.657 19.000 0.007 0.000 0.799 88 A HN 0.720 nan 8.150 nan 0.000 0.458 89 F N -5.761 114.094 119.950 -0.159 0.000 2.952 89 F HA 0.541 5.068 4.527 0.000 0.000 0.329 89 F C -3.640 172.074 175.800 -0.144 0.000 1.137 89 F CA -2.546 55.362 58.000 -0.155 0.000 0.889 89 F CB 0.171 39.056 39.000 -0.190 0.000 1.335 89 F HN -0.291 nan 8.300 nan 0.000 0.449 90 P HA 0.351 nan 4.420 nan 0.000 0.276 90 P C -2.666 174.605 177.300 -0.048 0.000 1.253 90 P CA -0.921 62.141 63.100 -0.063 0.000 0.766 90 P CB 0.540 32.252 31.700 0.019 0.000 0.845 91 P HA 0.002 nan 4.420 nan 0.000 0.266 91 P C -0.306 176.970 177.300 -0.039 0.000 1.195 91 P CA 0.023 63.015 63.100 -0.180 0.000 0.768 91 P CB 0.311 31.880 31.700 -0.219 0.000 0.838 92 L N 3.188 124.439 121.223 0.048 0.000 2.456 92 L HA 0.093 4.433 4.340 0.000 0.000 0.272 92 L C 0.916 177.769 176.870 -0.028 0.000 1.189 92 L CA 0.585 55.452 54.840 0.045 0.000 0.846 92 L CB -0.427 41.696 42.059 0.106 0.000 1.111 92 L HN 0.363 nan 8.230 nan 0.000 0.475 93 D N 1.242 121.611 120.400 -0.051 0.000 2.312 93 D HA -0.019 4.621 4.640 0.000 0.000 0.252 93 D C 0.632 176.897 176.300 -0.059 0.000 1.150 93 D CA -0.214 53.697 54.000 -0.149 0.000 0.870 93 D CB 0.714 41.416 40.800 -0.163 0.000 1.153 93 D HN 0.427 nan 8.370 nan 0.000 0.457 94 Y N 2.005 122.293 120.300 -0.019 0.000 2.574 94 Y HA 0.128 4.678 4.550 0.000 0.000 0.294 94 Y C 1.242 177.162 175.900 0.033 0.000 1.142 94 Y CA 0.558 58.673 58.100 0.025 0.000 1.314 94 Y CB -0.546 37.937 38.460 0.038 0.000 0.991 94 Y HN 0.426 nan 8.280 nan 0.000 0.555 95 E N 0.312 120.533 120.200 0.035 0.000 2.502 95 E HA -0.078 4.272 4.350 0.000 0.000 0.194 95 E C 0.403 177.047 176.600 0.073 0.000 1.062 95 E CA -0.024 56.428 56.400 0.086 0.000 0.867 95 E CB 0.047 29.729 29.700 -0.031 0.000 0.888 95 E HN 0.361 nan 8.360 nan 0.000 0.510 96 Q N 1.443 121.291 119.800 0.081 0.000 2.274 96 Q HA 0.016 4.356 4.340 0.000 0.000 0.280 96 Q C -0.324 175.741 176.000 0.107 0.000 1.047 96 Q CA 0.140 56.009 55.803 0.110 0.000 0.907 96 Q CB 0.890 29.728 28.738 0.167 0.000 1.171 96 Q HN -0.129 nan 8.270 nan 0.000 0.381 97 S N 3.743 119.479 115.700 0.062 0.000 2.563 97 S HA 0.277 4.747 4.470 0.000 0.000 0.284 97 S C -0.159 174.344 174.600 -0.162 0.000 1.331 97 S CA -0.266 57.923 58.200 -0.018 0.000 1.047 97 S CB 0.104 63.291 63.200 -0.021 0.000 0.859 97 S HN 0.619 nan 8.310 nan 0.000 0.514 98 I N 4.960 125.363 120.570 -0.278 0.000 2.465 98 I HA 0.332 4.503 4.170 0.000 0.000 0.291 98 I C -2.135 173.669 176.117 -0.522 0.000 1.014 98 I CA -2.441 58.470 61.300 -0.649 0.000 1.093 98 I CB 1.930 39.667 38.000 -0.439 0.000 1.267 98 I HN 0.475 nan 8.210 nan 0.000 0.431 99 P HA -0.040 nan 4.420 nan 0.000 0.261 99 P C 0.618 177.790 177.300 -0.212 0.000 1.173 99 P CA 0.229 63.122 63.100 -0.344 0.000 0.760 99 P CB 0.626 32.137 31.700 -0.315 0.000 0.783 100 E N 2.916 123.046 120.200 -0.118 0.000 2.118 100 E HA -0.262 4.088 4.350 0.000 0.000 0.195 100 E C 1.706 178.283 176.600 -0.039 0.000 0.992 100 E CA 1.468 57.828 56.400 -0.067 0.000 0.804 100 E CB -0.166 29.509 29.700 -0.041 0.000 0.741 100 E HN 0.555 nan 8.360 nan 0.000 0.458 101 A N 0.430 123.234 122.820 -0.027 0.000 1.968 101 A HA 0.009 4.330 4.320 0.000 0.000 0.217 101 A C 1.395 179.013 177.584 0.057 0.000 1.169 101 A CA 0.497 52.543 52.037 0.016 0.000 0.638 101 A CB -0.139 18.877 19.000 0.027 0.000 0.812 101 A HN 0.129 nan 8.150 nan 0.000 0.446 105 D N -0.388 120.005 120.400 -0.012 0.000 2.097 105 D HA -0.131 4.510 4.640 0.000 0.000 0.195 105 D C 1.547 177.613 176.300 -0.391 0.000 0.989 105 D CA 1.975 55.967 54.000 -0.014 0.000 0.827 105 D CB -0.372 40.619 40.800 0.318 0.000 0.966 105 D HN 0.559 nan 8.370 nan 0.000 0.456 106 Y N 1.954 121.771 120.300 -0.805 0.000 2.145 106 Y HA -0.157 4.393 4.550 0.000 0.000 0.286 106 Y C 2.130 177.703 175.900 -0.545 0.000 1.145 106 Y CA 1.455 58.850 58.100 -1.175 0.000 1.148 106 Y CB -0.033 37.888 38.460 -0.899 0.000 0.981 106 Y HN -0.215 nan 8.280 nan 0.000 0.507 107 R N 0.297 120.551 120.500 -0.409 0.000 2.117 107 R HA -0.137 4.203 4.340 0.000 0.000 0.243 107 R C 2.074 178.173 176.300 -0.335 0.000 1.143 107 R CA 1.461 57.352 56.100 -0.350 0.000 0.968 107 R CB -1.397 28.814 30.300 -0.148 0.000 0.863 107 R HN 0.530 nan 8.270 nan 0.000 0.444 108 S N -0.311 115.216 115.700 -0.288 0.000 2.743 108 S HA 0.048 4.519 4.470 0.000 0.000 0.230 108 S C 1.172 175.634 174.600 -0.230 0.000 0.950 108 S CA 0.053 58.131 58.200 -0.204 0.000 0.976 108 S CB 0.487 63.612 63.200 -0.126 0.000 0.779 108 S HN 0.218 nan 8.310 nan 0.000 0.487 109 Q N 0.494 120.079 119.800 -0.358 0.000 2.081 109 Q HA 0.339 4.679 4.340 0.000 0.000 0.220 109 Q C 0.078 175.896 176.000 -0.304 0.000 0.775 109 Q CA -0.272 55.346 55.803 -0.309 0.000 0.983 109 Q CB 0.649 29.145 28.738 -0.403 0.000 1.188 109 Q HN 0.466 nan 8.270 nan 0.000 0.458 110 R N 0.724 121.007 120.500 -0.362 0.000 2.560 110 R HA 0.257 4.597 4.340 0.000 0.000 0.270 110 R C -0.621 175.601 176.300 -0.130 0.000 1.074 110 R CA -0.540 55.389 56.100 -0.284 0.000 1.140 110 R CB 0.527 30.627 30.300 -0.332 0.000 1.073 110 R HN 0.144 nan 8.270 nan 0.000 0.527 111 D N 1.807 122.168 120.400 -0.065 0.000 2.360 111 D HA 0.136 4.776 4.640 0.000 0.000 0.242 111 D C -2.086 174.210 176.300 -0.007 0.000 1.184 111 D CA -1.330 52.651 54.000 -0.031 0.000 0.930 111 D CB 0.186 40.978 40.800 -0.013 0.000 1.161 111 D HN 0.193 nan 8.370 nan 0.000 0.447 112 P HA 0.002 nan 4.420 nan 0.000 0.267 112 P C 0.494 177.839 177.300 0.075 0.000 1.200 112 P CA -0.175 62.949 63.100 0.040 0.000 0.772 112 P CB 0.342 32.055 31.700 0.021 0.000 0.855 113 F N 3.048 122.992 119.950 -0.009 0.000 2.202 113 F HA -0.192 4.335 4.527 0.000 0.000 0.301 113 F C 1.973 177.779 175.800 0.009 0.000 1.082 113 F CA 1.744 59.748 58.000 0.006 0.000 1.313 113 F CB -0.239 38.765 39.000 0.006 0.000 1.024 113 F HN 0.346 nan 8.300 nan 0.000 0.495 114 A N 0.200 123.028 122.820 0.013 0.000 2.121 114 A HA -0.097 4.223 4.320 0.000 0.000 0.218 114 A C 2.255 179.754 177.584 -0.142 0.000 1.154 114 A CA 0.956 52.952 52.037 -0.069 0.000 0.679 114 A CB -0.485 18.534 19.000 0.031 0.000 0.795 114 A HN 0.313 nan 8.150 nan 0.000 0.458 115 R N -0.685 119.739 120.500 -0.126 0.000 2.112 115 R HA -0.028 4.312 4.340 0.000 0.000 0.216 115 R C 2.221 178.427 176.300 -0.157 0.000 1.080 115 R CA 1.907 57.936 56.100 -0.119 0.000 0.996 115 R CB -0.599 29.654 30.300 -0.078 0.000 0.902 115 R HN 0.708 nan 8.270 nan 0.000 0.449 116 T N -4.314 110.130 114.554 -0.183 0.000 3.034 116 T HA 0.145 4.495 4.350 0.000 0.000 0.248 116 T C 1.336 175.908 174.700 -0.215 0.000 1.040 116 T CA 0.724 62.742 62.100 -0.136 0.000 1.107 116 T CB 0.380 69.227 68.868 -0.034 0.000 0.932 116 T HN 0.301 nan 8.240 nan 0.000 0.474 117 G N 1.165 109.636 108.800 -0.549 0.000 2.225 117 G HA2 -0.235 3.725 3.960 0.000 0.000 0.267 117 G HA3 -0.235 3.725 3.960 0.000 0.000 0.267 117 G C 0.107 174.842 174.900 -0.276 0.000 1.024 117 G CA 0.445 45.102 45.100 -0.738 0.000 0.784 117 G HN 0.998 nan 8.290 nan 0.000 0.507 118 S N 0.789 116.434 115.700 -0.092 0.000 2.594 118 S HA 0.675 5.145 4.470 0.000 0.000 0.322 118 S C -2.192 172.634 174.600 0.377 0.000 1.085 118 S CA -1.299 57.024 58.200 0.204 0.000 1.116 118 S CB 1.642 64.948 63.200 0.177 0.000 0.979 118 S HN 0.144 nan 8.310 nan 0.000 0.465 119 P HA 0.262 nan 4.420 nan 0.000 0.274 119 P C -0.909 176.478 177.300 0.146 0.000 1.231 119 P CA -0.411 62.846 63.100 0.261 0.000 0.790 119 P CB 0.473 32.244 31.700 0.117 0.000 0.951 120 A N 3.406 126.277 122.820 0.085 0.000 2.522 120 A HA 0.327 4.648 4.320 0.000 0.000 0.256 120 A C -0.252 177.353 177.584 0.035 0.000 1.086 120 A CA 0.415 52.490 52.037 0.063 0.000 0.763 120 A CB -1.009 18.004 19.000 0.022 0.000 1.024 120 A HN 0.496 nan 8.150 nan 0.000 0.502 121 L N 4.690 125.944 121.223 0.052 0.000 2.388 121 L HA 0.508 4.848 4.340 0.000 0.000 0.264 121 L C -2.059 174.840 176.870 0.049 0.000 0.998 121 L CA -2.176 52.673 54.840 0.015 0.000 0.817 121 L CB 2.575 44.589 42.059 -0.075 0.000 1.338 121 L HN 0.521 nan 8.230 nan 0.000 0.414 122 P HA 0.125 nan 4.420 nan 0.000 0.273 122 P C -0.691 176.653 177.300 0.073 0.000 1.250 122 P CA -0.058 63.078 63.100 0.060 0.000 0.793 122 P CB 0.611 32.356 31.700 0.075 0.000 1.011 123 D N 0.150 120.585 120.400 0.059 0.000 3.452 123 D HA -0.205 4.435 4.640 0.000 0.000 0.164 123 D C 1.187 177.546 176.300 0.099 0.000 1.074 123 D CA 1.900 55.943 54.000 0.073 0.000 1.069 123 D CB -1.741 39.128 40.800 0.116 0.000 0.527 123 D HN 0.635 nan 8.370 nan 0.000 0.558 124 G N -0.293 108.602 108.800 0.159 0.000 3.337 124 G HA2 0.388 4.348 3.960 0.000 0.000 0.246 124 G HA3 0.388 4.348 3.960 0.000 0.000 0.246 124 G C 1.660 176.658 174.900 0.164 0.000 1.131 124 G CA -0.009 45.196 45.100 0.176 0.000 0.773 124 G HN 0.313 nan 8.290 nan 0.000 0.544 125 L N 0.067 121.357 121.223 0.111 0.000 2.127 125 L HA -0.000 4.340 4.340 0.000 0.000 0.211 125 L C 0.578 177.557 176.870 0.182 0.000 1.089 125 L CA 0.539 55.399 54.840 0.033 0.000 0.757 125 L CB -0.178 41.838 42.059 -0.071 0.000 0.899 125 L HN 0.106 nan 8.230 nan 0.000 0.434 126 N N 0.491 119.297 118.700 0.177 0.000 2.420 126 N HA 0.169 4.909 4.740 0.000 0.000 0.249 126 N C 1.069 176.673 175.510 0.156 0.000 1.033 126 N CA -0.001 53.183 53.050 0.225 0.000 0.944 126 N CB 1.673 40.324 38.487 0.272 0.000 1.113 126 N HN 0.117 nan 8.380 nan 0.000 0.502 127 I N 1.103 121.758 120.570 0.142 0.000 2.264 127 I HA -0.237 3.934 4.170 0.000 0.000 0.248 127 I C 2.272 178.420 176.117 0.050 0.000 1.111 127 I CA 1.174 62.535 61.300 0.100 0.000 1.382 127 I CB -0.203 37.867 38.000 0.116 0.000 1.060 127 I HN 0.598 nan 8.210 nan 0.000 0.418 128 G N 0.087 108.978 108.800 0.152 0.000 2.469 128 G HA2 -0.271 3.689 3.960 0.000 0.000 0.220 128 G HA3 -0.271 3.689 3.960 0.000 0.000 0.220 128 G C 1.728 176.445 174.900 -0.305 0.000 1.136 128 G CA 1.109 46.318 45.100 0.183 0.000 0.759 128 G HN 0.395 nan 8.290 nan 0.000 0.562 129 S N 0.421 115.873 115.700 -0.414 0.000 2.370 129 S HA -0.171 4.299 4.470 0.000 0.000 0.226 129 S C 2.355 176.886 174.600 -0.116 0.000 1.033 129 S CA 1.578 59.459 58.200 -0.532 0.000 1.011 129 S CB -0.308 62.806 63.200 -0.144 0.000 0.852 129 S HN 0.595 nan 8.310 nan 0.000 0.457 130 Q N 0.713 120.503 119.800 -0.017 0.000 2.020 130 Q HA -0.058 4.282 4.340 0.000 0.000 0.202 130 Q C 2.305 178.286 176.000 -0.032 0.000 0.982 130 Q CA 1.277 57.123 55.803 0.072 0.000 0.838 130 Q CB -0.483 28.289 28.738 0.058 0.000 0.899 130 Q HN 0.463 nan 8.270 nan 0.000 0.423 131 L N -0.182 120.883 121.223 -0.264 0.000 2.042 131 L HA -0.220 4.120 4.340 0.000 0.000 0.210 131 L C 2.385 179.078 176.870 -0.296 0.000 1.076 131 L CA 1.137 55.626 54.840 -0.585 0.000 0.749 131 L CB -0.725 40.473 42.059 -1.435 0.000 0.893 131 L HN 0.535 nan 8.230 nan 0.000 0.432 132 W N 0.488 121.688 121.300 -0.166 0.000 2.332 132 W HA -0.306 4.354 4.660 0.000 0.000 0.321 132 W C 2.421 179.082 176.519 0.237 0.000 1.219 132 W CA 1.733 59.273 57.345 0.324 0.000 1.277 132 W CB -0.683 28.920 29.460 0.238 0.000 1.161 132 W HN 0.343 nan 8.180 nan 0.000 0.476 133 W N 1.368 122.762 121.300 0.156 0.000 2.342 133 W HA -0.196 4.464 4.660 0.000 0.000 0.297 133 W C 2.404 178.860 176.519 -0.105 0.000 1.213 133 W CA 1.959 59.329 57.345 0.043 0.000 1.251 133 W CB -0.989 28.502 29.460 0.052 0.000 1.136 133 W HN -0.131 nan 8.180 nan 0.000 0.526 134 L N -0.131 121.021 121.223 -0.118 0.000 2.156 134 L HA -0.173 4.167 4.340 0.000 0.000 0.208 134 L C 2.204 178.926 176.870 -0.246 0.000 1.095 134 L CA 1.437 56.086 54.840 -0.318 0.000 0.770 134 L CB -0.830 41.047 42.059 -0.304 0.000 0.914 134 L HN -0.231 nan 8.230 nan 0.000 0.439 135 D N -0.421 119.889 120.400 -0.149 0.000 2.178 135 D HA -0.190 4.450 4.640 0.000 0.000 0.201 135 D C 2.267 178.457 176.300 -0.184 0.000 0.980 135 D CA 1.010 54.940 54.000 -0.117 0.000 0.842 135 D CB 0.113 40.895 40.800 -0.030 0.000 0.948 135 D HN 0.193 nan 8.370 nan 0.000 0.472 136 Q N -0.168 119.502 119.800 -0.216 0.000 2.049 136 Q HA 0.076 4.416 4.340 0.000 0.000 0.198 136 Q C 2.373 178.234 176.000 -0.232 0.000 0.971 136 Q CA 0.574 56.272 55.803 -0.176 0.000 0.833 136 Q CB -0.272 28.434 28.738 -0.054 0.000 0.896 136 Q HN 0.299 nan 8.270 nan 0.000 0.434 137 L N -0.621 120.368 121.223 -0.389 0.000 2.056 137 L HA -0.115 4.225 4.340 0.000 0.000 0.207 137 L C 0.433 176.779 176.870 -0.873 0.000 1.078 137 L CA 0.920 55.338 54.840 -0.702 0.000 0.749 137 L CB 0.021 41.477 42.059 -1.006 0.000 0.901 137 L HN 0.337 nan 8.230 nan 0.000 0.433 138 H N -2.292 116.626 119.070 -0.252 0.000 2.597 138 H HA 0.193 4.749 4.556 0.000 0.000 0.225 138 H C -1.900 173.330 175.328 -0.164 0.000 1.422 138 H CA -1.457 54.462 56.048 -0.215 0.000 1.335 138 H CB 0.528 30.117 29.762 -0.288 0.000 1.783 138 H HN -0.008 nan 8.280 nan 0.000 0.513 139 P HA -0.209 nan 4.420 nan 0.000 0.216 139 P C 1.329 178.618 177.300 -0.018 0.000 1.167 139 P CA 1.464 64.538 63.100 -0.043 0.000 0.914 139 P CB 0.593 32.265 31.700 -0.047 0.000 0.793 140 D N -0.878 119.516 120.400 -0.011 0.000 2.097 140 D HA -0.063 4.577 4.640 0.000 0.000 0.195 140 D C 1.134 177.427 176.300 -0.011 0.000 0.989 140 D CA 0.544 54.538 54.000 -0.009 0.000 0.827 140 D CB -0.991 39.804 40.800 -0.009 0.000 0.966 140 D HN -0.065 nan 8.370 nan 0.000 0.456 144 N N 0.425 119.122 118.700 -0.005 0.000 2.235 144 N HA 0.540 5.280 4.740 0.000 0.000 0.209 144 N C -0.066 175.429 175.510 -0.024 0.000 1.122 144 N CA 0.831 53.874 53.050 -0.011 0.000 0.845 144 N CB 1.068 39.548 38.487 -0.011 0.000 1.004 144 N HN 0.589 nan 8.380 nan 0.000 0.499 145 A N -0.314 122.487 122.820 -0.032 0.000 2.386 145 A HA 0.603 4.923 4.320 0.000 0.000 0.311 145 A C -0.346 177.176 177.584 -0.104 0.000 1.068 145 A CA -0.543 51.454 52.037 -0.067 0.000 0.743 145 A CB 1.028 20.001 19.000 -0.045 0.000 1.258 145 A HN 0.035 nan 8.150 nan 0.000 0.429 146 T N 2.922 117.390 114.554 -0.144 0.000 2.771 146 T HA 0.445 4.795 4.350 0.000 0.000 0.291 146 T C 0.113 174.647 174.700 -0.277 0.000 0.954 146 T CA 0.066 62.064 62.100 -0.170 0.000 1.045 146 T CB 0.059 68.847 68.868 -0.133 0.000 0.917 146 T HN 0.432 nan 8.240 nan 0.000 0.484 147 L N 3.920 124.902 121.223 -0.402 0.000 2.371 147 L HA 0.547 4.887 4.340 0.000 0.000 0.272 147 L C -0.529 175.992 176.870 -0.582 0.000 1.124 147 L CA -0.709 53.726 54.840 -0.676 0.000 0.816 147 L CB 0.793 42.071 42.059 -1.302 0.000 1.129 147 L HN 0.331 nan 8.230 nan 0.000 0.448 148 L N 5.653 126.649 121.223 -0.379 0.000 2.505 148 L HA 0.560 4.900 4.340 0.000 0.000 0.266 148 L C -2.569 174.319 176.870 0.030 0.000 0.954 148 L CA -1.759 53.020 54.840 -0.100 0.000 0.852 148 L CB 2.225 44.208 42.059 -0.127 0.000 1.282 148 L HN 0.199 nan 8.230 nan 0.000 0.403 149 P HA -0.005 nan 4.420 nan 0.000 0.269 149 P C 0.482 177.893 177.300 0.185 0.000 1.209 149 P CA -0.017 63.196 63.100 0.187 0.000 0.776 149 P CB 0.479 32.275 31.700 0.160 0.000 0.876 150 W N 3.673 124.974 121.300 0.002 0.000 2.304 150 W HA -0.330 4.330 4.660 0.000 0.000 0.315 150 W C 1.671 178.294 176.519 0.174 0.000 1.233 150 W CA 2.165 59.518 57.345 0.013 0.000 1.261 150 W CB -0.673 28.716 29.460 -0.118 0.000 1.150 150 W HN 0.412 nan 8.180 nan 0.000 0.494 151 A N 0.547 123.454 122.820 0.145 0.000 1.917 151 A HA -0.305 4.016 4.320 0.000 0.000 0.219 151 A C 1.739 179.366 177.584 0.073 0.000 1.182 151 A CA 2.357 54.446 52.037 0.087 0.000 0.633 151 A CB -1.003 18.065 19.000 0.113 0.000 0.819 151 A HN 0.474 nan 8.150 nan 0.000 0.448 152 Q N -2.165 117.675 119.800 0.066 0.000 2.245 152 Q HA -0.030 4.310 4.340 0.000 0.000 0.201 152 Q C 1.727 177.745 176.000 0.029 0.000 0.955 152 Q CA 1.189 57.027 55.803 0.059 0.000 0.870 152 Q CB -0.571 28.209 28.738 0.071 0.000 0.945 152 Q HN 0.845 nan 8.270 nan 0.000 0.461 153 Y N -1.000 119.187 120.300 -0.190 0.000 2.241 153 Y HA -0.267 4.283 4.550 0.000 0.000 0.286 153 Y C 1.003 176.727 175.900 -0.293 0.000 1.166 153 Y CA 1.554 59.443 58.100 -0.351 0.000 1.203 153 Y CB -0.239 37.813 38.460 -0.681 0.000 0.977 153 Y HN 0.164 nan 8.280 nan 0.000 0.529 154 W N -0.574 120.588 121.300 -0.230 0.000 2.658 154 W HA 0.120 4.781 4.660 0.000 0.000 0.263 154 W C 2.523 178.990 176.519 -0.086 0.000 1.274 154 W CA 0.890 58.092 57.345 -0.238 0.000 1.343 154 W CB -0.340 28.957 29.460 -0.272 0.000 1.106 154 W HN 0.105 nan 8.180 nan 0.000 0.615 155 A N -0.542 122.349 122.820 0.118 0.000 1.968 155 A HA -0.181 4.139 4.320 0.000 0.000 0.217 155 A C 1.550 179.157 177.584 0.039 0.000 1.169 155 A CA 1.201 53.282 52.037 0.074 0.000 0.638 155 A CB -1.221 17.813 19.000 0.058 0.000 0.812 155 A HN 0.511 nan 8.150 nan 0.000 0.446 156 W N -0.420 120.778 121.300 -0.171 0.000 2.388 156 W HA -0.168 4.492 4.660 0.000 0.000 0.294 156 W C 1.669 178.039 176.519 -0.248 0.000 1.212 156 W CA 1.590 58.807 57.345 -0.212 0.000 1.271 156 W CB -0.387 28.918 29.460 -0.259 0.000 1.126 156 W HN 0.331 nan 8.180 nan 0.000 0.535 157 F N 0.816 120.526 119.950 -0.400 0.000 2.202 157 F HA -0.159 4.368 4.527 0.000 0.000 0.301 157 F C 1.680 177.236 175.800 -0.407 0.000 1.082 157 F CA 1.945 59.626 58.000 -0.533 0.000 1.313 157 F CB -0.255 38.537 39.000 -0.347 0.000 1.024 157 F HN -0.139 nan 8.300 nan 0.000 0.495 158 L N -0.956 120.150 121.223 -0.194 0.000 2.477 158 L HA 0.064 4.404 4.340 0.000 0.000 0.220 158 L C 1.961 178.669 176.870 -0.270 0.000 1.106 158 L CA 1.120 55.845 54.840 -0.192 0.000 0.851 158 L CB -0.360 41.695 42.059 -0.007 0.000 0.994 158 L HN 0.266 nan 8.230 nan 0.000 0.462 159 T N -5.943 108.413 114.554 -0.329 0.000 2.964 159 T HA 0.280 4.630 4.350 0.000 0.000 0.250 159 T C 1.469 175.951 174.700 -0.364 0.000 0.982 159 T CA 0.578 62.516 62.100 -0.269 0.000 0.959 159 T CB 0.930 69.708 68.868 -0.150 0.000 1.141 159 T HN 0.226 nan 8.240 nan 0.000 0.494 160 G N 1.965 110.373 108.800 -0.654 0.000 2.159 160 G HA2 -0.228 3.732 3.960 0.000 0.000 0.256 160 G HA3 -0.228 3.732 3.960 0.000 0.000 0.256 160 G C 0.014 174.743 174.900 -0.286 0.000 0.977 160 G CA 0.041 44.713 45.100 -0.713 0.000 0.652 160 G HN 0.756 nan 8.290 nan 0.000 0.531 161 R N -0.014 120.417 120.500 -0.115 0.000 2.599 161 R HA 0.722 5.062 4.340 0.000 0.000 0.295 161 R C -0.117 176.353 176.300 0.284 0.000 0.963 161 R CA -0.029 56.142 56.100 0.119 0.000 0.883 161 R CB 1.988 32.306 30.300 0.029 0.000 1.171 161 R HN 0.512 nan 8.270 nan 0.000 0.450 162 A N 2.642 125.623 122.820 0.269 0.000 2.288 162 A HA 0.641 4.962 4.320 0.000 0.000 0.320 162 A C -0.301 177.350 177.584 0.112 0.000 1.217 162 A CA -0.616 51.530 52.037 0.182 0.000 0.840 162 A CB 0.914 19.953 19.000 0.066 0.000 1.179 162 A HN 0.554 nan 8.150 nan 0.000 0.504 163 V N -0.037 119.938 119.914 0.102 0.000 3.159 163 V HA 0.890 5.011 4.120 0.000 0.000 0.308 163 V C -0.216 175.945 176.094 0.112 0.000 1.190 163 V CA -0.573 61.786 62.300 0.098 0.000 1.037 163 V CB 1.641 33.508 31.823 0.073 0.000 1.060 163 V HN 0.751 nan 8.190 nan 0.000 0.437 164 S N 1.498 117.279 115.700 0.134 0.000 2.681 164 S HA 0.745 5.215 4.470 0.000 0.000 0.299 164 S C -0.735 173.877 174.600 0.020 0.000 1.113 164 S CA -0.522 57.759 58.200 0.135 0.000 1.013 164 S CB 1.479 64.829 63.200 0.249 0.000 1.076 164 S HN 0.964 nan 8.310 nan 0.000 0.534 165 E N 0.678 120.848 120.200 -0.049 0.000 2.331 165 E HA 0.294 4.644 4.350 0.000 0.000 0.275 165 E C 0.050 176.492 176.600 -0.263 0.000 0.895 165 E CA -0.546 55.780 56.400 -0.123 0.000 0.753 165 E CB 2.092 31.749 29.700 -0.072 0.000 1.216 165 E HN 0.351 nan 8.360 nan 0.000 0.434 166 V N 3.734 123.441 119.914 -0.346 0.000 2.427 166 V HA -0.202 3.918 4.120 0.000 0.000 0.248 166 V C 2.263 178.052 176.094 -0.508 0.000 1.051 166 V CA 3.105 65.044 62.300 -0.602 0.000 1.048 166 V CB -0.416 31.092 31.823 -0.525 0.000 0.666 166 V HN 0.906 nan 8.190 nan 0.000 0.456 167 T N -2.841 111.546 114.554 -0.279 0.000 2.759 167 T HA -0.209 4.141 4.350 0.000 0.000 0.269 167 T C 1.960 176.542 174.700 -0.197 0.000 1.042 167 T CA 2.132 64.126 62.100 -0.176 0.000 1.140 167 T CB -0.664 68.170 68.868 -0.056 0.000 0.864 167 T HN 0.440 nan 8.240 nan 0.000 0.455 168 S N 1.173 116.749 115.700 -0.207 0.000 2.406 168 S HA 0.225 4.695 4.470 0.000 0.000 0.228 168 S C 1.895 176.304 174.600 -0.317 0.000 1.020 168 S CA 0.730 58.773 58.200 -0.262 0.000 0.965 168 S CB -0.440 62.691 63.200 -0.115 0.000 0.798 168 S HN 0.458 nan 8.310 nan 0.000 0.488 169 L N 0.601 121.580 121.223 -0.406 0.000 2.291 169 L HA 0.026 4.366 4.340 0.000 0.000 0.214 169 L C 2.305 178.959 176.870 -0.359 0.000 1.120 169 L CA 0.895 55.468 54.840 -0.446 0.000 0.799 169 L CB -0.521 41.036 42.059 -0.837 0.000 0.925 169 L HN 0.370 nan 8.230 nan 0.000 0.446 170 G N -1.606 106.950 108.800 -0.406 0.000 3.088 170 G HA2 -0.115 3.845 3.960 0.000 0.000 0.212 170 G HA3 -0.115 3.845 3.960 0.000 0.000 0.212 170 G C 0.535 175.351 174.900 -0.139 0.000 1.173 170 G CA -0.208 44.781 45.100 -0.186 0.000 0.779 170 G HN 0.372 nan 8.290 nan 0.000 0.540 171 C N 3.005 122.135 119.300 -0.284 0.000 2.484 171 C HA 0.364 4.824 4.460 0.000 0.000 0.494 171 C C 1.251 175.822 174.990 -0.699 0.000 1.052 171 C CA -1.046 57.690 59.018 -0.470 0.000 1.307 171 C CB -2.575 24.724 27.740 -0.736 0.000 1.464 171 C HN 0.836 nan 8.230 nan 0.000 0.564 172 H N 1.980 121.047 119.070 -0.005 0.000 2.445 172 H HA -0.205 4.351 4.556 0.000 0.000 0.322 172 H C 0.903 176.267 175.328 0.059 0.000 1.053 172 H CA 0.853 56.925 56.048 0.041 0.000 1.109 172 H CB -1.920 27.860 29.762 0.031 0.000 1.546 172 H HN 0.696 nan 8.280 nan 0.000 0.397 173 S N -1.946 113.804 115.700 0.084 0.000 2.503 173 S HA 0.040 4.511 4.470 0.000 0.000 0.215 173 S C 1.049 175.800 174.600 0.252 0.000 1.003 173 S CA 0.276 58.554 58.200 0.130 0.000 0.910 173 S CB 0.496 63.743 63.200 0.078 0.000 0.790 173 S HN 0.592 nan 8.310 nan 0.000 0.514 174 D N 0.154 120.709 120.400 0.258 0.000 2.748 174 D HA -0.123 4.517 4.640 0.000 0.000 0.189 174 D C 0.530 177.021 176.300 0.318 0.000 0.982 174 D CA 1.264 55.439 54.000 0.291 0.000 1.017 174 D CB -1.597 39.444 40.800 0.401 0.000 1.076 174 D HN 0.493 nan 8.370 nan 0.000 0.446 175 L N -1.042 120.386 121.223 0.342 0.000 2.607 175 L HA 0.207 4.547 4.340 0.000 0.000 0.228 175 L C 0.866 178.008 176.870 0.454 0.000 1.123 175 L CA 0.085 55.177 54.840 0.421 0.000 0.890 175 L CB 0.280 42.598 42.059 0.433 0.000 1.103 175 L HN 0.084 nan 8.230 nan 0.000 0.468 176 W N 0.777 122.108 121.300 0.052 0.000 2.761 176 W HA 0.276 4.936 4.660 0.000 0.000 0.340 176 W C -1.263 175.231 176.519 -0.041 0.000 1.072 176 W CA -0.537 56.779 57.345 -0.047 0.000 1.215 176 W CB 2.236 31.624 29.460 -0.120 0.000 1.420 176 W HN -0.234 nan 8.180 nan 0.000 0.519 177 D N 5.597 125.516 120.400 -0.802 0.000 2.462 177 D HA 0.254 4.894 4.640 0.000 0.000 0.249 177 D C -1.843 174.095 176.300 -0.603 0.000 1.117 177 D CA -2.170 51.504 54.000 -0.544 0.000 0.900 177 D CB 1.976 42.505 40.800 -0.451 0.000 1.039 177 D HN -0.086 nan 8.370 nan 0.000 0.516 178 P HA -0.153 nan 4.420 nan 0.000 0.215 178 P C 1.430 178.701 177.300 -0.048 0.000 1.157 178 P CA 1.123 64.228 63.100 0.008 0.000 0.868 178 P CB 0.463 32.201 31.700 0.063 0.000 0.788 179 Q N -0.690 119.057 119.800 -0.089 0.000 2.079 179 Q HA -0.168 4.172 4.340 0.000 0.000 0.200 179 Q C 1.768 177.711 176.000 -0.095 0.000 0.974 179 Q CA 1.432 57.193 55.803 -0.069 0.000 0.840 179 Q CB -1.190 27.508 28.738 -0.067 0.000 0.898 179 Q HN 0.284 nan 8.270 nan 0.000 0.430 180 D N -0.327 119.973 120.400 -0.167 0.000 2.363 180 D HA 0.008 4.648 4.640 0.000 0.000 0.220 180 D C 0.320 176.487 176.300 -0.222 0.000 0.994 180 D CA 0.696 54.587 54.000 -0.183 0.000 0.890 180 D CB -0.206 40.465 40.800 -0.214 0.000 0.906 180 D HN 0.369 nan 8.370 nan 0.000 0.530 181 G N 1.452 110.109 108.800 -0.239 0.000 2.393 181 G HA2 -0.249 3.711 3.960 0.000 0.000 0.299 181 G HA3 -0.249 3.711 3.960 0.000 0.000 0.299 181 G C -0.193 174.491 174.900 -0.360 0.000 0.990 181 G CA 0.872 45.893 45.100 -0.131 0.000 1.118 181 G HN 0.532 nan 8.290 nan 0.000 0.513 182 D N -1.757 117.944 120.400 -1.164 0.000 2.710 182 D HA 0.484 5.124 4.640 0.000 0.000 0.276 182 D C 0.176 175.482 176.300 -1.656 0.000 1.267 182 D CA -0.832 52.460 54.000 -1.181 0.000 0.772 182 D CB 0.182 40.731 40.800 -0.418 0.000 1.299 182 D HN -0.012 nan 8.370 nan 0.000 0.421 183 F N 1.106 120.622 119.950 -0.723 0.000 2.628 183 F HA 0.140 4.667 4.527 0.000 0.000 0.362 183 F C 1.656 177.290 175.800 -0.278 0.000 1.148 183 F CA 0.336 58.166 58.000 -0.283 0.000 1.352 183 F CB 0.464 39.470 39.000 0.009 0.000 1.081 183 F HN 0.180 nan 8.300 nan 0.000 0.605 184 S N 3.012 118.757 115.700 0.076 0.000 2.585 184 S HA 0.347 4.817 4.470 0.000 0.000 0.273 184 S C -2.443 172.186 174.600 0.049 0.000 1.339 184 S CA -1.418 56.791 58.200 0.016 0.000 1.028 184 S CB 0.819 64.064 63.200 0.075 0.000 0.906 184 S HN 0.240 nan 8.310 nan 0.000 0.528 188 K N 0.500 120.915 120.400 0.025 0.000 1.985 188 K HA -0.122 4.199 4.320 0.000 0.000 0.210 188 K C 2.244 178.814 176.600 -0.050 0.000 1.047 188 K CA 1.774 58.050 56.287 -0.018 0.000 0.932 188 K CB -0.184 32.320 32.500 0.007 0.000 0.716 188 K HN 0.444 nan 8.250 nan 0.000 0.439 189 R N 1.197 121.662 120.500 -0.059 0.000 2.091 189 R HA -0.132 4.208 4.340 0.000 0.000 0.238 189 R C 2.054 178.275 176.300 -0.131 0.000 1.136 189 R CA 1.368 57.422 56.100 -0.076 0.000 0.959 189 R CB -0.240 30.021 30.300 -0.064 0.000 0.856 189 R HN 0.166 nan 8.270 nan 0.000 0.437 190 L N -0.603 120.474 121.223 -0.244 0.000 2.465 190 L HA 0.095 4.435 4.340 0.000 0.000 0.224 190 L C 1.357 178.017 176.870 -0.350 0.000 1.145 190 L CA 0.746 55.321 54.840 -0.440 0.000 0.834 190 L CB 0.004 41.449 42.059 -1.024 0.000 0.944 190 L HN 0.682 nan 8.230 nan 0.000 0.451 191 G N -1.798 106.903 108.800 -0.165 0.000 2.141 191 G HA2 -0.248 3.712 3.960 0.000 0.000 0.242 191 G HA3 -0.248 3.712 3.960 0.000 0.000 0.242 191 G C 0.435 175.427 174.900 0.153 0.000 0.982 191 G CA 0.134 45.225 45.100 -0.016 0.000 0.662 191 G HN 0.257 nan 8.290 nan 0.000 0.527 192 W N 0.126 121.456 121.300 0.049 0.000 2.453 192 W HA 0.378 5.038 4.660 0.000 0.000 0.289 192 W C 2.631 179.194 176.519 0.074 0.000 1.215 192 W CA 1.173 58.575 57.345 0.095 0.000 1.297 192 W CB -1.286 28.289 29.460 0.192 0.000 1.113 192 W HN 0.579 nan 8.180 nan 0.000 0.551 193 A N 0.508 123.364 122.820 0.061 0.000 2.019 193 A HA 0.027 4.347 4.320 0.000 0.000 0.219 193 A C 2.194 179.593 177.584 -0.307 0.000 1.164 193 A CA 2.268 53.949 52.037 -0.593 0.000 0.644 193 A CB -0.877 17.548 19.000 -0.959 0.000 0.805 193 A HN 0.107 nan 8.150 nan 0.000 0.449 194 A N -0.350 122.431 122.820 -0.065 0.000 2.066 194 A HA -0.035 4.285 4.320 0.000 0.000 0.218 194 A C 2.084 179.702 177.584 0.056 0.000 1.157 194 A CA 1.054 53.093 52.037 0.003 0.000 0.670 194 A CB -0.289 18.722 19.000 0.018 0.000 0.804 194 A HN 0.537 nan 8.150 nan 0.000 0.453 195 R N -1.976 118.577 120.500 0.088 0.000 2.310 195 R HA 0.206 4.546 4.340 0.000 0.000 0.202 195 R C -0.613 175.677 176.300 -0.017 0.000 0.933 195 R CA -0.261 55.859 56.100 0.034 0.000 1.054 195 R CB -0.042 30.268 30.300 0.015 0.000 0.985 195 R HN 0.442 nan 8.270 nan 0.000 0.489 196 F N 1.126 121.076 119.950 -0.000 0.000 2.418 196 F HA 0.245 4.772 4.527 0.000 0.000 0.341 196 F C 1.004 176.853 175.800 0.082 0.000 1.120 196 F CA -0.670 57.369 58.000 0.065 0.000 1.232 196 F CB 0.610 39.715 39.000 0.175 0.000 1.175 196 F HN 0.006 nan 8.300 nan 0.000 0.569 197 A N 4.475 127.444 122.820 0.248 0.000 2.445 197 A HA 0.353 4.673 4.320 0.000 0.000 0.242 197 A C -2.402 175.327 177.584 0.242 0.000 1.075 197 A CA -1.378 50.767 52.037 0.181 0.000 0.777 197 A CB -0.585 18.485 19.000 0.117 0.000 1.013 197 A HN 0.449 nan 8.150 nan 0.000 0.493 198 P HA 0.065 nan 4.420 nan 0.000 0.262 198 P C -0.510 176.878 177.300 0.147 0.000 1.182 198 P CA 0.538 63.737 63.100 0.164 0.000 0.761 198 P CB 0.159 31.927 31.700 0.114 0.000 0.795 199 I N 3.592 124.250 120.570 0.146 0.000 2.496 199 I HA 0.168 4.338 4.170 0.000 0.000 0.285 199 I C 0.851 176.997 176.117 0.047 0.000 1.080 199 I CA 0.076 61.420 61.300 0.073 0.000 1.404 199 I CB 0.459 38.479 38.000 0.032 0.000 1.403 199 I HN 0.171 nan 8.210 nan 0.000 0.539 200 V N 3.708 123.634 119.914 0.019 0.000 3.160 200 V HA 0.623 4.743 4.120 0.000 0.000 0.310 200 V C -0.389 175.696 176.094 -0.016 0.000 1.181 200 V CA -1.315 60.992 62.300 0.011 0.000 1.047 200 V CB 1.920 33.754 31.823 0.019 0.000 1.068 200 V HN 0.628 nan 8.190 nan 0.000 0.441 201 R N 1.268 121.759 120.500 -0.015 0.000 2.539 201 R HA 0.665 5.005 4.340 0.000 0.000 0.275 201 R C 1.447 177.719 176.300 -0.047 0.000 1.077 201 R CA 0.402 56.481 56.100 -0.035 0.000 1.097 201 R CB 0.841 31.129 30.300 -0.020 0.000 1.018 201 R HN 1.023 nan 8.270 nan 0.000 0.483 202 A N 2.127 124.902 122.820 -0.074 0.000 1.986 202 A HA -0.133 4.187 4.320 0.000 0.000 0.220 202 A C 1.820 179.361 177.584 -0.072 0.000 1.171 202 A CA 1.970 53.961 52.037 -0.077 0.000 0.640 202 A CB -0.770 18.166 19.000 -0.107 0.000 0.811 202 A HN 0.837 nan 8.150 nan 0.000 0.451 203 G N -1.049 107.708 108.800 -0.072 0.000 3.042 203 G HA2 0.231 4.191 3.960 0.000 0.000 0.212 203 G HA3 0.231 4.191 3.960 0.000 0.000 0.212 203 G C -0.210 174.664 174.900 -0.045 0.000 1.166 203 G CA -0.000 45.060 45.100 -0.067 0.000 0.767 203 G HN 0.354 nan 8.290 nan 0.000 0.546 204 D N 0.749 121.130 120.400 -0.032 0.000 2.357 204 D HA 0.272 4.912 4.640 0.000 0.000 0.242 204 D C 0.185 176.473 176.300 -0.020 0.000 1.153 204 D CA 0.463 54.451 54.000 -0.020 0.000 0.918 204 D CB 1.039 41.834 40.800 -0.009 0.000 1.181 204 D HN -0.160 nan 8.370 nan 0.000 0.435 205 T N 1.048 115.592 114.554 -0.016 0.000 2.729 205 T HA 0.158 4.508 4.350 0.000 0.000 0.296 205 T C 1.599 176.294 174.700 -0.009 0.000 0.928 205 T CA -0.587 61.503 62.100 -0.016 0.000 1.045 205 T CB 1.035 69.892 68.868 -0.017 0.000 0.902 205 T HN 0.047 nan 8.240 nan 0.000 0.500 206 V N 2.887 122.796 119.914 -0.008 0.000 2.453 206 V HA 0.249 4.369 4.120 0.000 0.000 0.247 206 V C 1.461 177.549 176.094 -0.010 0.000 1.048 206 V CA 1.772 64.073 62.300 0.001 0.000 1.049 206 V CB -0.753 31.075 31.823 0.009 0.000 0.672 206 V HN 1.131 nan 8.190 nan 0.000 0.457 207 G N -2.026 106.760 108.800 -0.023 0.000 2.324 207 G HA2 0.542 4.502 3.960 0.000 0.000 0.293 207 G HA3 0.542 4.502 3.960 0.000 0.000 0.293 207 G C -1.130 173.744 174.900 -0.042 0.000 1.297 207 G CA -0.211 44.868 45.100 -0.034 0.000 0.853 207 G HN 0.436 nan 8.290 nan 0.000 0.535 208 A N -0.772 122.018 122.820 -0.049 0.000 2.271 208 A HA 0.737 5.057 4.320 0.000 0.000 0.288 208 A C 0.144 177.686 177.584 -0.071 0.000 1.094 208 A CA -0.469 51.537 52.037 -0.051 0.000 0.828 208 A CB 0.999 19.972 19.000 -0.045 0.000 1.091 208 A HN 1.761 nan 8.150 nan 0.000 0.493 209 L N 1.377 122.561 121.223 -0.065 0.000 2.534 209 L HA 0.113 4.453 4.340 0.000 0.000 0.271 209 L C -0.082 176.724 176.870 -0.107 0.000 1.178 209 L CA -0.228 54.562 54.840 -0.083 0.000 0.907 209 L CB -0.524 41.500 42.059 -0.058 0.000 1.164 209 L HN 0.550 nan 8.230 nan 0.000 0.482 210 L N 9.346 130.476 121.223 -0.155 0.000 2.747 210 L HA -0.076 4.264 4.340 0.000 0.000 0.286 210 L C -1.178 175.610 176.870 -0.136 0.000 1.216 210 L CA -0.383 54.351 54.840 -0.176 0.000 0.930 210 L CB -0.312 41.589 42.059 -0.263 0.000 1.216 210 L HN 0.589 nan 8.230 nan 0.000 0.486 211 P HA -0.205 nan 4.420 nan 0.000 0.216 211 P C 1.364 178.611 177.300 -0.088 0.000 1.153 211 P CA 2.085 65.134 63.100 -0.085 0.000 0.858 211 P CB 0.181 31.837 31.700 -0.075 0.000 0.789 212 A N -1.055 121.701 122.820 -0.106 0.000 1.978 212 A HA -0.187 4.133 4.320 0.000 0.000 0.220 212 A C 2.200 179.723 177.584 -0.103 0.000 1.170 212 A CA 1.523 53.499 52.037 -0.102 0.000 0.636 212 A CB -1.529 17.399 19.000 -0.121 0.000 0.810 212 A HN 0.164 nan 8.150 nan 0.000 0.448 213 I N -0.966 119.529 120.570 -0.126 0.000 2.480 213 I HA -0.126 4.044 4.170 0.000 0.000 0.251 213 I C 2.930 179.002 176.117 -0.074 0.000 1.124 213 I CA 0.713 61.946 61.300 -0.112 0.000 1.444 213 I CB -0.330 37.581 38.000 -0.148 0.000 1.098 213 I HN 0.337 nan 8.210 nan 0.000 0.428 214 A N 0.895 123.673 122.820 -0.070 0.000 1.865 214 A HA -0.288 4.032 4.320 0.000 0.000 0.217 214 A C 2.207 179.766 177.584 -0.041 0.000 1.191 214 A CA 2.239 54.247 52.037 -0.048 0.000 0.623 214 A CB -0.647 18.325 19.000 -0.047 0.000 0.826 214 A HN 0.398 nan 8.150 nan 0.000 0.444 215 E N 0.128 120.301 120.200 -0.046 0.000 2.085 215 E HA -0.229 4.122 4.350 0.000 0.000 0.194 215 E C 2.151 178.729 176.600 -0.037 0.000 0.994 215 E CA 1.831 58.208 56.400 -0.039 0.000 0.801 215 E CB -0.298 29.378 29.700 -0.041 0.000 0.743 215 E HN 0.591 nan 8.360 nan 0.000 0.453 216 R N -0.454 120.020 120.500 -0.043 0.000 2.073 216 R HA -0.079 4.261 4.340 0.000 0.000 0.229 216 R C 2.073 178.349 176.300 -0.040 0.000 1.120 216 R CA 1.917 57.993 56.100 -0.040 0.000 0.967 216 R CB -0.454 29.820 30.300 -0.042 0.000 0.862 216 R HN 0.400 nan 8.270 nan 0.000 0.436 217 T N -3.915 110.615 114.554 -0.041 0.000 3.054 217 T HA 0.198 4.548 4.350 0.000 0.000 0.259 217 T C 1.387 176.069 174.700 -0.031 0.000 1.092 217 T CA 0.670 62.744 62.100 -0.044 0.000 1.121 217 T CB 0.467 69.310 68.868 -0.042 0.000 0.912 217 T HN 0.447 nan 8.240 nan 0.000 0.489 218 G N 1.219 110.005 108.800 -0.023 0.000 2.176 218 G HA2 -0.198 3.762 3.960 0.000 0.000 0.253 218 G HA3 -0.198 3.762 3.960 0.000 0.000 0.253 218 G C -0.060 174.840 174.900 0.000 0.000 0.979 218 G CA 0.140 45.232 45.100 -0.013 0.000 0.641 218 G HN 0.637 nan 8.290 nan 0.000 0.530 219 L N 1.269 122.494 121.223 0.002 0.000 2.436 219 L HA 0.563 4.903 4.340 0.000 0.000 0.265 219 L C 1.425 178.294 176.870 -0.002 0.000 1.168 219 L CA -0.057 54.791 54.840 0.013 0.000 0.815 219 L CB 1.308 43.378 42.059 0.019 0.000 1.109 219 L HN 0.229 nan 8.230 nan 0.000 0.462 220 S N 1.846 117.547 115.700 0.001 0.000 2.568 220 S HA 0.145 4.615 4.470 0.000 0.000 0.282 220 S C -1.669 172.921 174.600 -0.018 0.000 1.338 220 S CA -0.987 57.208 58.200 -0.008 0.000 1.045 220 S CB 0.747 63.944 63.200 -0.004 0.000 0.873 220 S HN 0.401 nan 8.310 nan 0.000 0.516 221 P HA 0.106 nan 4.420 nan 0.000 0.242 221 P C 0.090 177.371 177.300 -0.031 0.000 1.197 221 P CA 0.491 63.571 63.100 -0.034 0.000 0.765 221 P CB 0.086 31.765 31.700 -0.035 0.000 0.936 222 D N -1.168 119.218 120.400 -0.023 0.000 2.350 222 D HA 0.025 4.665 4.640 0.000 0.000 0.213 222 D C 0.444 176.733 176.300 -0.019 0.000 1.031 222 D CA 0.191 54.178 54.000 -0.021 0.000 0.861 222 D CB 0.176 40.967 40.800 -0.016 0.000 0.926 222 D HN -0.006 nan 8.370 nan 0.000 0.520 223 V N 2.521 122.424 119.914 -0.018 0.000 2.694 223 V HA -0.108 4.012 4.120 0.000 0.000 0.306 223 V C 0.632 176.712 176.094 -0.022 0.000 1.054 223 V CA 0.359 62.650 62.300 -0.015 0.000 1.161 223 V CB 0.750 32.567 31.823 -0.011 0.000 0.916 223 V HN 0.052 nan 8.190 nan 0.000 0.490 224 Q N 3.543 123.330 119.800 -0.021 0.000 2.257 224 Q HA 0.470 4.810 4.340 0.000 0.000 0.255 224 Q C -0.684 175.301 176.000 -0.025 0.000 0.920 224 Q CA -0.487 55.301 55.803 -0.025 0.000 0.927 224 Q CB 1.874 30.598 28.738 -0.024 0.000 1.229 224 Q HN 0.550 nan 8.270 nan 0.000 0.433 225 V N 3.614 123.511 119.914 -0.027 0.000 2.394 225 V HA 0.279 4.399 4.120 0.000 0.000 0.282 225 V C 0.053 176.135 176.094 -0.020 0.000 1.031 225 V CA -0.798 61.489 62.300 -0.021 0.000 0.881 225 V CB 1.067 32.877 31.823 -0.023 0.000 0.982 225 V HN 0.544 nan 8.190 nan 0.000 0.451 226 L N 3.335 124.545 121.223 -0.023 0.000 2.421 226 L HA 0.554 4.894 4.340 0.000 0.000 0.263 226 L C 1.532 178.394 176.870 -0.014 0.000 1.122 226 L CA 0.608 55.432 54.840 -0.027 0.000 0.804 226 L CB 1.056 43.087 42.059 -0.047 0.000 1.150 226 L HN 0.702 nan 8.230 nan 0.000 0.457 227 A N 1.532 124.343 122.820 -0.015 0.000 1.933 227 A HA 0.323 4.643 4.320 0.000 0.000 0.218 227 A C 1.171 178.753 177.584 -0.003 0.000 1.175 227 A CA 1.289 53.325 52.037 -0.002 0.000 0.628 227 A CB -1.094 17.902 19.000 -0.007 0.000 0.814 227 A HN 1.189 nan 8.150 nan 0.000 0.444 228 G N -1.909 106.875 108.800 -0.026 0.000 2.681 228 G HA2 0.208 4.168 3.960 0.000 0.000 0.220 228 G HA3 0.208 4.168 3.960 0.000 0.000 0.220 228 G C -0.472 174.410 174.900 -0.030 0.000 1.353 228 G CA 0.141 45.223 45.100 -0.029 0.000 0.872 228 G HN 1.859 nan 8.290 nan 0.000 0.557 229 L N -4.294 116.921 121.223 -0.013 0.000 2.933 229 L HA 0.740 5.080 4.340 0.000 0.000 0.271 229 L C 0.065 176.977 176.870 0.070 0.000 1.071 229 L CA -0.956 53.885 54.840 0.000 0.000 0.938 229 L CB 1.334 43.364 42.059 -0.048 0.000 1.534 229 L HN 1.134 nan 8.230 nan 0.000 0.396 230 H N 0.296 119.347 119.070 -0.031 0.000 2.683 230 H HA 0.122 4.678 4.556 0.000 0.000 0.339 230 H C -0.165 175.172 175.328 0.014 0.000 1.081 230 H CA 0.013 56.063 56.048 0.003 0.000 1.432 230 H CB 1.262 31.008 29.762 -0.028 0.000 1.462 230 H HN 0.828 nan 8.280 nan 0.000 0.557 231 D N 2.905 123.167 120.400 -0.230 0.000 2.355 231 D HA -0.239 4.401 4.640 0.000 0.000 0.192 231 D C 1.980 178.077 176.300 -0.338 0.000 1.014 231 D CA 2.435 56.291 54.000 -0.240 0.000 0.862 231 D CB -0.388 40.330 40.800 -0.136 0.000 0.986 231 D HN 0.593 nan 8.370 nan 0.000 0.456 232 S N 0.359 115.685 115.700 -0.624 0.000 2.402 232 S HA -0.147 4.323 4.470 0.000 0.000 0.233 232 S C 1.567 176.059 174.600 -0.180 0.000 1.030 232 S CA 0.790 58.796 58.200 -0.324 0.000 1.003 232 S CB -0.288 62.743 63.200 -0.281 0.000 0.813 232 S HN 0.322 nan 8.310 nan 0.000 0.477 233 N N 1.419 120.007 118.700 -0.187 0.000 2.396 233 N HA 0.052 4.792 4.740 0.000 0.000 0.180 233 N C 1.892 177.344 175.510 -0.097 0.000 1.028 233 N CA 0.844 53.838 53.050 -0.093 0.000 0.893 233 N CB -0.238 38.209 38.487 -0.066 0.000 0.967 233 N HN 0.451 nan 8.380 nan 0.000 0.440 234 A N 1.574 124.326 122.820 -0.114 0.000 1.908 234 A HA -0.074 4.246 4.320 0.000 0.000 0.218 234 A C 2.403 179.939 177.584 -0.078 0.000 1.181 234 A CA 1.804 53.770 52.037 -0.117 0.000 0.627 234 A CB -0.652 18.282 19.000 -0.110 0.000 0.818 234 A HN 0.312 nan 8.150 nan 0.000 0.445 235 A N -0.516 122.279 122.820 -0.041 0.000 1.972 235 A HA 0.016 4.336 4.320 0.000 0.000 0.219 235 A C 2.140 179.742 177.584 0.030 0.000 1.169 235 A CA 1.400 53.444 52.037 0.012 0.000 0.635 235 A CB -0.482 18.530 19.000 0.020 0.000 0.810 235 A HN 0.489 nan 8.150 nan 0.000 0.446 236 L N -1.053 120.171 121.223 0.001 0.000 2.044 236 L HA -0.100 4.240 4.340 0.000 0.000 0.205 236 L C 2.550 179.423 176.870 0.006 0.000 1.075 236 L CA 0.862 55.713 54.840 0.018 0.000 0.747 236 L CB -0.580 41.482 42.059 0.005 0.000 0.903 236 L HN 0.352 nan 8.230 nan 0.000 0.435 237 L N -0.088 121.105 121.223 -0.051 0.000 2.042 237 L HA -0.223 4.117 4.340 0.000 0.000 0.210 237 L C 2.887 179.713 176.870 -0.073 0.000 1.076 237 L CA 1.289 56.074 54.840 -0.092 0.000 0.749 237 L CB -0.605 41.346 42.059 -0.179 0.000 0.893 237 L HN 0.253 nan 8.230 nan 0.000 0.432 238 A N -0.240 122.554 122.820 -0.043 0.000 1.902 238 A HA -0.197 4.123 4.320 0.000 0.000 0.217 238 A C 2.491 180.143 177.584 0.114 0.000 1.181 238 A CA 1.813 53.902 52.037 0.086 0.000 0.623 238 A CB -0.727 18.372 19.000 0.165 0.000 0.818 238 A HN 0.430 nan 8.150 nan 0.000 0.443 239 A N -0.185 122.727 122.820 0.154 0.000 1.873 239 A HA -0.134 4.186 4.320 0.000 0.000 0.215 239 A C 2.152 179.875 177.584 0.231 0.000 1.186 239 A CA 1.338 53.541 52.037 0.276 0.000 0.616 239 A CB -0.462 18.659 19.000 0.202 0.000 0.823 239 A HN 0.525 nan 8.150 nan 0.000 0.442 240 R N -0.425 120.148 120.500 0.122 0.000 2.328 240 R HA -0.063 4.277 4.340 0.000 0.000 0.207 240 R C 2.000 178.341 176.300 0.070 0.000 1.056 240 R CA 0.580 56.737 56.100 0.095 0.000 1.016 240 R CB -0.393 29.950 30.300 0.072 0.000 0.872 240 R HN 0.542 nan 8.270 nan 0.000 0.471 241 G N 0.744 109.568 108.800 0.039 0.000 2.448 241 G HA2 -0.144 3.816 3.960 0.000 0.000 0.218 241 G HA3 -0.144 3.816 3.960 0.000 0.000 0.218 241 G C 0.272 175.126 174.900 -0.078 0.000 1.135 241 G CA -0.118 44.970 45.100 -0.019 0.000 0.784 241 G HN 0.058 nan 8.290 nan 0.000 0.543 242 F N 0.966 120.926 119.950 0.017 0.000 2.538 242 F HA 0.400 4.927 4.527 0.000 0.000 0.371 242 F C 1.694 177.465 175.800 -0.049 0.000 1.087 242 F CA -0.194 57.783 58.000 -0.038 0.000 1.250 242 F CB 1.307 40.259 39.000 -0.081 0.000 1.110 242 F HN 0.108 nan 8.300 nan 0.000 0.570 243 A N 2.854 125.757 122.820 0.138 0.000 1.986 243 A HA -0.224 4.096 4.320 0.000 0.000 0.220 243 A C 2.028 179.630 177.584 0.030 0.000 1.171 243 A CA 1.866 53.939 52.037 0.061 0.000 0.640 243 A CB -0.536 18.489 19.000 0.042 0.000 0.811 243 A HN 0.804 nan 8.150 nan 0.000 0.451 244 E N -0.539 119.650 120.200 -0.018 0.000 2.152 244 E HA -0.074 4.276 4.350 0.000 0.000 0.192 244 E C 1.761 178.328 176.600 -0.055 0.000 0.983 244 E CA 0.961 57.291 56.400 -0.118 0.000 0.818 244 E CB -0.051 29.380 29.700 -0.448 0.000 0.758 244 E HN 0.595 nan 8.360 nan 0.000 0.467 245 I N -0.188 120.382 120.570 -0.001 0.000 2.490 245 I HA 0.065 4.235 4.170 0.000 0.000 0.234 245 I C 1.934 178.089 176.117 0.064 0.000 1.066 245 I CA 1.064 62.393 61.300 0.049 0.000 1.405 245 I CB -1.491 36.569 38.000 0.100 0.000 1.191 245 I HN 0.130 nan 8.210 nan 0.000 0.433 246 A N 1.094 123.961 122.820 0.078 0.000 5.149 246 A HA -0.415 3.905 4.320 0.000 0.000 0.344 246 A C 1.655 179.271 177.584 0.053 0.000 1.715 246 A CA 2.530 54.603 52.037 0.059 0.000 0.700 246 A CB -1.895 17.131 19.000 0.043 0.000 1.461 246 A HN 0.457 nan 8.150 nan 0.000 0.399 247 D N 0.026 120.450 120.400 0.040 0.000 2.389 247 D HA 0.146 4.786 4.640 0.000 0.000 0.206 247 D C 0.277 176.598 176.300 0.034 0.000 1.055 247 D CA 0.314 54.332 54.000 0.029 0.000 0.856 247 D CB -0.217 40.591 40.800 0.014 0.000 0.957 247 D HN 0.515 nan 8.370 nan 0.000 0.509 248 N N 1.461 120.186 118.700 0.042 0.000 2.399 248 N HA -0.038 4.702 4.740 0.000 0.000 0.250 248 N C 0.314 175.855 175.510 0.053 0.000 1.272 248 N CA -0.036 53.041 53.050 0.046 0.000 0.928 248 N CB 0.372 38.890 38.487 0.052 0.000 1.158 248 N HN -0.002 nan 8.380 nan 0.000 0.463 249 E N 0.433 120.663 120.200 0.050 0.000 2.752 249 E HA 0.110 4.460 4.350 0.000 0.000 0.241 249 E C -0.831 175.810 176.600 0.067 0.000 1.016 249 E CA 0.381 56.813 56.400 0.055 0.000 0.952 249 E CB -0.165 29.565 29.700 0.050 0.000 0.921 249 E HN 0.555 nan 8.360 nan 0.000 0.515 250 A N 3.500 126.363 122.820 0.072 0.000 2.594 250 A HA 0.652 4.972 4.320 0.000 0.000 0.295 250 A C -0.708 176.926 177.584 0.084 0.000 1.071 250 A CA -0.641 51.446 52.037 0.084 0.000 0.685 250 A CB 1.846 20.900 19.000 0.089 0.000 1.285 250 A HN 0.394 nan 8.150 nan 0.000 0.405 251 T N 1.077 115.686 114.554 0.091 0.000 2.848 251 T HA 0.545 4.895 4.350 0.000 0.000 0.285 251 T C -0.836 173.924 174.700 0.099 0.000 0.995 251 T CA -0.355 61.800 62.100 0.092 0.000 0.970 251 T CB 1.442 70.365 68.868 0.092 0.000 0.976 251 T HN 0.609 nan 8.240 nan 0.000 0.441 252 V N 4.143 124.115 119.914 0.096 0.000 2.370 252 V HA 0.408 4.528 4.120 0.000 0.000 0.279 252 V C -0.330 175.824 176.094 0.099 0.000 1.029 252 V CA -0.757 61.601 62.300 0.096 0.000 0.870 252 V CB 1.270 33.146 31.823 0.089 0.000 0.984 252 V HN 0.662 nan 8.190 nan 0.000 0.451 253 L N 6.445 127.732 121.223 0.106 0.000 2.314 253 L HA 0.474 4.814 4.340 0.000 0.000 0.275 253 L C 0.644 177.550 176.870 0.060 0.000 1.068 253 L CA 0.284 55.194 54.840 0.116 0.000 0.894 253 L CB 0.986 43.147 42.059 0.171 0.000 1.275 253 L HN 0.779 nan 8.230 nan 0.000 0.432 254 S N 2.914 118.634 115.700 0.033 0.000 2.580 254 S HA 0.644 5.114 4.470 0.000 0.000 0.274 254 S C 0.222 174.727 174.600 -0.158 0.000 1.329 254 S CA -0.295 57.893 58.200 -0.021 0.000 1.036 254 S CB 0.976 64.182 63.200 0.010 0.000 0.919 254 S HN 0.671 nan 8.310 nan 0.000 0.515 255 T N 1.573 115.987 114.554 -0.233 0.000 2.903 255 T HA 0.811 5.161 4.350 0.000 0.000 0.299 255 T C 0.200 174.743 174.700 -0.261 0.000 1.093 255 T CA 0.257 62.006 62.100 -0.586 0.000 1.002 255 T CB 1.381 69.909 68.868 -0.566 0.000 1.127 255 T HN 1.510 nan 8.240 nan 0.000 0.488 256 G N 0.995 109.643 108.800 -0.253 0.000 2.288 256 G HA2 0.055 4.015 3.960 0.000 0.000 0.227 256 G HA3 0.055 4.015 3.960 0.000 0.000 0.227 256 G C 0.863 175.863 174.900 0.168 0.000 1.339 256 G CA 0.301 45.490 45.100 0.149 0.000 1.057 256 G HN 0.602 nan 8.290 nan 0.000 0.470 257 T N -0.240 114.398 114.554 0.139 0.000 2.620 257 T HA -0.116 4.234 4.350 0.000 0.000 0.267 257 T C 0.690 175.342 174.700 -0.080 0.000 1.044 257 T CA 2.172 64.293 62.100 0.035 0.000 1.161 257 T CB -0.217 68.685 68.868 0.057 0.000 0.862 257 T HN 0.345 nan 8.240 nan 0.000 0.438 258 W N -0.044 121.248 121.300 -0.012 0.000 2.496 258 W HA 0.549 5.209 4.660 0.000 0.000 0.327 258 W C -1.012 175.498 176.519 -0.014 0.000 1.086 258 W CA -1.202 56.121 57.345 -0.036 0.000 1.222 258 W CB 0.607 30.044 29.460 -0.039 0.000 1.304 258 W HN -0.080 nan 8.180 nan 0.000 0.547 259 F N 4.513 124.293 119.950 -0.285 0.000 2.361 259 F HA 0.467 4.994 4.527 0.000 0.000 0.364 259 F C 0.104 175.860 175.800 -0.074 0.000 1.120 259 F CA -1.291 56.507 58.000 -0.337 0.000 1.102 259 F CB 0.317 38.801 39.000 -0.859 0.000 1.183 259 F HN -0.058 nan 8.300 nan 0.000 0.476 260 I N 3.504 124.167 120.570 0.155 0.000 2.418 260 I HA 0.625 4.795 4.170 0.000 0.000 0.287 260 I C -0.003 176.208 176.117 0.157 0.000 1.008 260 I CA -0.700 60.703 61.300 0.172 0.000 1.104 260 I CB 1.535 39.602 38.000 0.112 0.000 1.264 260 I HN 0.629 nan 8.210 nan 0.000 0.438 264 L N 4.878 126.145 121.223 0.072 0.000 2.417 264 L HA 0.432 4.772 4.340 0.000 0.000 0.258 264 L C -2.142 174.765 176.870 0.062 0.000 1.088 264 L CA -1.966 52.916 54.840 0.069 0.000 0.975 264 L CB 1.096 43.199 42.059 0.074 0.000 1.341 264 L HN 0.359 nan 8.230 nan 0.000 0.431 265 P HA -0.013 nan 4.420 nan 0.000 0.265 265 P C 0.484 177.809 177.300 0.042 0.000 1.193 265 P CA 0.058 63.188 63.100 0.048 0.000 0.765 265 P CB 1.152 32.879 31.700 0.045 0.000 0.823 266 A N 2.286 125.128 122.820 0.037 0.000 2.238 266 A HA 0.181 4.501 4.320 0.000 0.000 0.208 266 A C 0.854 178.451 177.584 0.023 0.000 1.177 266 A CA 1.093 53.148 52.037 0.030 0.000 0.804 266 A CB -0.702 18.316 19.000 0.030 0.000 0.823 266 A HN 0.613 nan 8.150 nan 0.000 0.482 267 T N -4.399 110.170 114.554 0.024 0.000 2.841 267 T HA 0.595 4.945 4.350 0.000 0.000 0.296 267 T C -3.462 171.251 174.700 0.021 0.000 1.166 267 T CA -2.026 60.085 62.100 0.019 0.000 1.007 267 T CB 1.277 70.156 68.868 0.018 0.000 1.253 267 T HN -0.133 nan 8.240 nan 0.000 0.511 268 P HA 0.359 nan 4.420 nan 0.000 0.264 268 P C -0.505 176.805 177.300 0.017 0.000 1.193 268 P CA -0.290 62.819 63.100 0.016 0.000 0.763 268 P CB 0.397 32.103 31.700 0.010 0.000 0.810 269 V N -0.381 119.545 119.914 0.020 0.000 3.040 269 V HA 0.544 4.664 4.120 0.000 0.000 0.312 269 V C -0.511 175.594 176.094 0.018 0.000 1.115 269 V CA -1.288 61.025 62.300 0.022 0.000 0.998 269 V CB 2.226 34.067 31.823 0.030 0.000 1.042 269 V HN 0.288 nan 8.190 nan 0.000 0.433 270 D N 2.365 122.777 120.400 0.020 0.000 2.344 270 D HA 0.302 4.942 4.640 0.000 0.000 0.253 270 D C 1.250 177.564 176.300 0.023 0.000 1.255 270 D CA 0.768 54.779 54.000 0.017 0.000 0.894 270 D CB 1.288 42.100 40.800 0.020 0.000 1.067 270 D HN 0.945 nan 8.370 nan 0.000 0.492 271 T N 0.595 115.155 114.554 0.011 0.000 3.014 271 T HA 0.199 4.549 4.350 0.000 0.000 0.250 271 T C 1.805 176.506 174.700 0.002 0.000 1.060 271 T CA 0.271 62.377 62.100 0.009 0.000 1.040 271 T CB 0.140 68.997 68.868 -0.017 0.000 0.971 271 T HN 0.262 nan 8.240 nan 0.000 0.497 272 A N 2.331 125.148 122.820 -0.004 0.000 2.121 272 A HA 0.043 4.363 4.320 0.000 0.000 0.218 272 A C 2.362 179.984 177.584 0.062 0.000 1.154 272 A CA 1.579 53.616 52.037 0.001 0.000 0.679 272 A CB -1.052 17.944 19.000 -0.007 0.000 0.795 272 A HN 0.682 nan 8.150 nan 0.000 0.458 273 T N -2.506 112.091 114.554 0.071 0.000 3.145 273 T HA 0.484 4.834 4.350 0.000 0.000 0.255 273 T C 0.279 175.052 174.700 0.121 0.000 1.039 273 T CA -0.388 61.765 62.100 0.087 0.000 0.928 273 T CB -0.494 68.407 68.868 0.055 0.000 1.029 273 T HN 0.186 nan 8.240 nan 0.000 0.554 274 L N 2.642 123.973 121.223 0.181 0.000 2.453 274 L HA 0.318 4.658 4.340 0.000 0.000 0.272 274 L C -2.196 174.822 176.870 0.246 0.000 1.182 274 L CA -2.133 52.841 54.840 0.224 0.000 0.858 274 L CB 0.318 42.543 42.059 0.277 0.000 1.120 274 L HN 0.021 nan 8.230 nan 0.000 0.474 275 P HA 0.040 nan 4.420 nan 0.000 0.274 275 P C 0.221 177.387 177.300 -0.223 0.000 1.291 275 P CA -0.198 62.874 63.100 -0.047 0.000 0.815 275 P CB 0.692 32.367 31.700 -0.043 0.000 0.897 276 E N 3.691 123.536 120.200 -0.592 0.000 2.265 276 E HA -0.186 4.164 4.350 0.000 0.000 0.196 276 E C 1.163 177.487 176.600 -0.460 0.000 0.996 276 E CA 0.952 56.714 56.400 -1.064 0.000 0.832 276 E CB -0.028 28.751 29.700 -1.535 0.000 0.756 276 E HN 0.441 nan 8.360 nan 0.000 0.491 277 A N 0.579 123.230 122.820 -0.282 0.000 2.275 277 A HA 0.127 4.447 4.320 0.000 0.000 0.212 277 A C 1.320 178.821 177.584 -0.138 0.000 1.201 277 A CA -0.180 51.752 52.037 -0.175 0.000 0.843 277 A CB 0.106 19.038 19.000 -0.113 0.000 0.873 277 A HN 0.091 nan 8.150 nan 0.000 0.492 278 R N -0.189 120.236 120.500 -0.125 0.000 2.652 278 R HA 0.150 4.490 4.340 0.000 0.000 0.372 278 R C -0.713 175.569 176.300 -0.029 0.000 1.104 278 R CA -0.152 55.889 56.100 -0.099 0.000 1.072 278 R CB 0.178 30.408 30.300 -0.118 0.000 1.367 278 R HN 0.197 nan 8.270 nan 0.000 0.577 279 D N 0.508 120.903 120.400 -0.009 0.000 2.746 279 D HA -0.150 4.490 4.640 0.000 0.000 0.236 279 D C -0.874 175.497 176.300 0.118 0.000 1.129 279 D CA 0.570 54.624 54.000 0.090 0.000 0.691 279 D CB -1.276 39.654 40.800 0.217 0.000 1.077 279 D HN 0.274 nan 8.370 nan 0.000 0.432 280 C N 0.035 119.388 119.300 0.089 0.000 2.358 280 C HA 0.948 5.409 4.460 0.000 0.000 0.354 280 C C 0.546 175.699 174.990 0.271 0.000 1.183 280 C CA -0.692 58.424 59.018 0.163 0.000 2.150 280 C CB 0.929 28.766 27.740 0.161 0.000 2.361 280 C HN 0.455 nan 8.230 nan 0.000 0.535 281 L N 0.279 121.665 121.223 0.272 0.000 2.765 281 L HA 0.912 5.252 4.340 0.000 0.000 0.263 281 L C -1.317 175.653 176.870 0.166 0.000 1.068 281 L CA -0.680 54.337 54.840 0.296 0.000 0.903 281 L CB 1.227 43.431 42.059 0.243 0.000 1.512 281 L HN 0.305 nan 8.230 nan 0.000 0.404 282 V N 1.849 121.818 119.914 0.091 0.000 2.407 282 V HA 0.568 4.688 4.120 0.000 0.000 0.291 282 V C -0.472 175.663 176.094 0.068 0.000 1.018 282 V CA -0.397 61.935 62.300 0.054 0.000 0.842 282 V CB 0.997 32.812 31.823 -0.014 0.000 0.996 282 V HN 0.795 nan 8.190 nan 0.000 0.426 283 N N 2.357 121.101 118.700 0.072 0.000 2.538 283 N HA 0.727 5.468 4.740 0.000 0.000 0.292 283 N C -0.880 174.661 175.510 0.052 0.000 1.262 283 N CA -0.360 52.724 53.050 0.056 0.000 0.976 283 N CB 2.155 40.681 38.487 0.064 0.000 1.161 283 N HN 0.383 nan 8.380 nan 0.000 0.598 284 V N 0.516 120.440 119.914 0.017 0.000 2.841 284 V HA 0.187 4.307 4.120 0.000 0.000 0.310 284 V C -0.687 175.396 176.094 -0.017 0.000 1.090 284 V CA -0.880 61.426 62.300 0.011 0.000 0.930 284 V CB 2.074 33.880 31.823 -0.029 0.000 1.014 284 V HN 0.770 nan 8.190 nan 0.000 0.425 285 D N 2.480 122.879 120.400 -0.001 0.000 2.466 285 D HA 0.262 4.902 4.640 0.000 0.000 0.262 285 D C 1.259 177.494 176.300 -0.109 0.000 1.177 285 D CA -0.021 53.956 54.000 -0.038 0.000 1.035 285 D CB 1.091 41.894 40.800 0.006 0.000 1.105 285 D HN 0.395 nan 8.370 nan 0.000 0.551 286 V N -1.893 117.888 119.914 -0.222 0.000 2.720 286 V HA -0.194 3.926 4.120 0.000 0.000 0.256 286 V C 1.441 177.367 176.094 -0.280 0.000 1.082 286 V CA 1.580 63.708 62.300 -0.287 0.000 1.101 286 V CB -1.584 30.028 31.823 -0.351 0.000 0.693 286 V HN 0.571 nan 8.190 nan 0.000 0.479 287 H N 1.098 120.155 119.070 -0.022 0.000 2.539 287 H HA 0.474 5.030 4.556 0.000 0.000 0.267 287 H C 1.912 177.243 175.328 0.006 0.000 0.982 287 H CA 0.545 56.588 56.048 -0.009 0.000 1.146 287 H CB 0.337 30.097 29.762 -0.003 0.000 1.382 287 H HN 0.626 nan 8.280 nan 0.000 0.577 288 G N 0.804 109.649 108.800 0.074 0.000 2.175 288 G HA2 -0.294 3.666 3.960 0.000 0.000 0.244 288 G HA3 -0.294 3.666 3.960 0.000 0.000 0.244 288 G C 0.287 175.258 174.900 0.119 0.000 0.982 288 G CA -0.346 44.808 45.100 0.089 0.000 0.641 288 G HN 0.326 nan 8.290 nan 0.000 0.527 289 R N 0.808 121.375 120.500 0.111 0.000 2.490 289 R HA 0.404 4.744 4.340 0.000 0.000 0.278 289 R C -2.500 173.852 176.300 0.086 0.000 1.069 289 R CA -1.637 54.520 56.100 0.096 0.000 1.080 289 R CB 0.452 30.808 30.300 0.093 0.000 1.030 289 R HN 0.092 nan 8.270 nan 0.000 0.491 290 P HA -0.015 nan 4.420 nan 0.000 0.268 290 P C -0.754 176.585 177.300 0.064 0.000 1.204 290 P CA 0.075 63.217 63.100 0.069 0.000 0.768 290 P CB 0.582 32.312 31.700 0.049 0.000 0.842 291 V N 6.474 126.426 119.914 0.064 0.000 2.284 291 V HA 0.253 4.373 4.120 0.000 0.000 0.274 291 V C -2.176 173.961 176.094 0.071 0.000 1.023 291 V CA -2.041 60.299 62.300 0.065 0.000 0.808 291 V CB 1.247 33.107 31.823 0.062 0.000 1.035 291 V HN 0.478 nan 8.190 nan 0.000 0.445 292 P HA 0.238 nan 4.420 nan 0.000 0.268 292 P C -0.447 176.912 177.300 0.097 0.000 1.205 292 P CA 0.440 63.589 63.100 0.082 0.000 0.771 292 P CB 0.601 32.346 31.700 0.076 0.000 0.858 293 S N 0.951 116.720 115.700 0.115 0.000 2.546 293 S HA 0.811 5.281 4.470 0.000 0.000 0.274 293 S C -1.054 173.635 174.600 0.148 0.000 1.121 293 S CA -0.638 57.638 58.200 0.127 0.000 0.887 293 S CB 2.148 65.420 63.200 0.119 0.000 1.094 293 S HN 0.506 nan 8.310 nan 0.000 0.474 294 A N 2.236 125.156 122.820 0.165 0.000 2.414 294 A HA 0.897 5.217 4.320 0.000 0.000 0.306 294 A C -0.664 177.081 177.584 0.268 0.000 1.054 294 A CA -0.854 51.300 52.037 0.196 0.000 0.724 294 A CB 1.276 20.384 19.000 0.178 0.000 1.267 294 A HN 0.764 nan 8.150 nan 0.000 0.418 295 R N 0.062 120.761 120.500 0.331 0.000 2.795 295 R HA 0.818 5.158 4.340 0.000 0.000 0.275 295 R C -1.150 175.550 176.300 0.667 0.000 0.981 295 R CA -0.433 55.954 56.100 0.479 0.000 0.917 295 R CB 2.062 32.614 30.300 0.419 0.000 1.202 295 R HN 0.881 nan 8.270 nan 0.000 0.469 299 G N 1.053 109.696 108.800 -0.262 0.000 2.480 299 G HA2 -0.188 3.772 3.960 0.000 0.000 0.216 299 G HA3 -0.188 3.772 3.960 0.000 0.000 0.216 299 G C 1.670 176.522 174.900 -0.079 0.000 1.200 299 G CA 1.812 46.886 45.100 -0.043 0.000 0.782 299 G HN 0.492 nan 8.290 nan 0.000 0.554 300 R N 0.748 121.145 120.500 -0.172 0.000 2.096 300 R HA -0.024 4.317 4.340 0.000 0.000 0.235 300 R C 2.558 178.777 176.300 -0.135 0.000 1.127 300 R CA 1.795 57.800 56.100 -0.159 0.000 0.968 300 R CB -0.362 29.787 30.300 -0.253 0.000 0.861 300 R HN 0.551 nan 8.270 nan 0.000 0.440 301 E N -0.195 119.909 120.200 -0.160 0.000 2.077 301 E HA -0.197 4.153 4.350 0.000 0.000 0.193 301 E C 2.024 178.588 176.600 -0.060 0.000 0.989 301 E CA 1.555 57.896 56.400 -0.098 0.000 0.800 301 E CB -0.161 29.538 29.700 -0.001 0.000 0.746 301 E HN 0.405 nan 8.360 nan 0.000 0.452 302 I N 1.611 122.150 120.570 -0.050 0.000 2.252 302 I HA -0.239 3.931 4.170 0.000 0.000 0.245 302 I C 2.307 178.464 176.117 0.066 0.000 1.102 302 I CA 0.899 62.219 61.300 0.033 0.000 1.385 302 I CB -0.389 37.644 38.000 0.055 0.000 1.064 302 I HN 0.055 nan 8.210 nan 0.000 0.414 303 E N 0.634 120.864 120.200 0.050 0.000 2.097 303 E HA -0.214 4.136 4.350 0.000 0.000 0.196 303 E C 2.133 178.746 176.600 0.021 0.000 1.000 303 E CA 1.927 58.352 56.400 0.042 0.000 0.804 303 E CB -0.889 28.823 29.700 0.020 0.000 0.740 303 E HN 0.482 nan 8.360 nan 0.000 0.454 304 T N 1.903 116.446 114.554 -0.017 0.000 2.788 304 T HA -0.069 4.281 4.350 0.000 0.000 0.268 304 T C 2.142 176.852 174.700 0.016 0.000 1.044 304 T CA 0.766 62.844 62.100 -0.037 0.000 1.139 304 T CB -0.169 68.624 68.868 -0.124 0.000 0.867 304 T HN 0.075 nan 8.240 nan 0.000 0.454 305 L N 0.530 121.778 121.223 0.042 0.000 2.156 305 L HA 0.108 4.448 4.340 0.000 0.000 0.208 305 L C 2.268 179.330 176.870 0.321 0.000 1.095 305 L CA 1.003 55.943 54.840 0.165 0.000 0.770 305 L CB -0.357 41.786 42.059 0.141 0.000 0.914 305 L HN 0.388 nan 8.230 nan 0.000 0.439 306 I N -4.670 116.037 120.570 0.229 0.000 3.645 306 I HA 0.094 4.265 4.170 0.000 0.000 0.300 306 I C 1.055 177.180 176.117 0.014 0.000 1.260 306 I CA 0.218 61.648 61.300 0.217 0.000 1.365 306 I CB 0.158 38.237 38.000 0.132 0.000 1.077 306 I HN 0.162 nan 8.210 nan 0.000 0.439 307 E N 0.855 121.074 120.200 0.032 0.000 5.003 307 E HA -0.268 4.083 4.350 0.000 0.000 0.166 307 E C 0.304 176.850 176.600 -0.090 0.000 1.244 307 E CA 1.954 58.336 56.400 -0.030 0.000 2.281 307 E CB -1.227 28.447 29.700 -0.044 0.000 1.825 307 E HN 0.557 nan 8.360 nan 0.000 0.420 308 I N 1.029 121.506 120.570 -0.154 0.000 2.646 308 I HA 0.138 4.308 4.170 0.000 0.000 0.299 308 I C 0.925 176.974 176.117 -0.114 0.000 1.036 308 I CA -0.703 60.508 61.300 -0.148 0.000 1.074 308 I CB 1.450 39.321 38.000 -0.216 0.000 1.258 308 I HN -0.053 nan 8.210 nan 0.000 0.430 309 D N 2.136 122.484 120.400 -0.087 0.000 2.158 309 D HA -0.147 4.493 4.640 0.000 0.000 0.197 309 D C 1.770 178.020 176.300 -0.085 0.000 0.995 309 D CA 1.717 55.675 54.000 -0.071 0.000 0.846 309 D CB 0.101 40.865 40.800 -0.060 0.000 0.941 309 D HN 0.610 nan 8.370 nan 0.000 0.456 310 T N 0.447 114.936 114.554 -0.109 0.000 2.897 310 T HA -0.105 4.245 4.350 0.000 0.000 0.271 310 T C 1.670 176.289 174.700 -0.135 0.000 1.084 310 T CA 0.847 62.878 62.100 -0.116 0.000 1.123 310 T CB 0.080 68.864 68.868 -0.140 0.000 0.865 310 T HN 0.189 nan 8.240 nan 0.000 0.496 311 R N 0.327 120.734 120.500 -0.154 0.000 2.509 311 R HA 0.239 4.579 4.340 0.000 0.000 0.300 311 R C 0.159 176.422 176.300 -0.061 0.000 0.985 311 R CA -0.332 55.676 56.100 -0.153 0.000 1.092 311 R CB 0.483 30.641 30.300 -0.237 0.000 1.237 311 R HN 0.253 nan 8.270 nan 0.000 0.546 312 R N 1.300 121.771 120.500 -0.047 0.000 2.500 312 R HA -0.065 4.275 4.340 0.000 0.000 0.281 312 R C 1.590 177.892 176.300 0.003 0.000 0.953 312 R CA 0.171 56.262 56.100 -0.015 0.000 1.108 312 R CB 0.570 30.838 30.300 -0.053 0.000 0.901 312 R HN 0.055 nan 8.270 nan 0.000 0.410 313 V N -0.227 119.725 119.914 0.064 0.000 3.305 313 V HA -0.102 4.018 4.120 0.000 0.000 0.269 313 V C 0.976 177.105 176.094 0.059 0.000 1.157 313 V CA 1.692 64.055 62.300 0.104 0.000 1.157 313 V CB -0.370 31.579 31.823 0.210 0.000 0.772 313 V HN 0.811 nan 8.190 nan 0.000 0.498 314 D N -0.619 119.758 120.400 -0.038 0.000 2.402 314 D HA 0.100 4.740 4.640 0.000 0.000 0.216 314 D C 0.623 176.897 176.300 -0.043 0.000 1.128 314 D CA -0.544 53.416 54.000 -0.067 0.000 0.833 314 D CB -0.428 40.247 40.800 -0.208 0.000 0.971 314 D HN 0.398 nan 8.370 nan 0.000 0.503 315 I N 1.973 122.531 120.570 -0.019 0.000 2.792 315 I HA -0.094 4.076 4.170 0.000 0.000 0.284 315 I C 1.737 177.868 176.117 0.023 0.000 1.166 315 I CA 0.256 61.553 61.300 -0.005 0.000 1.375 315 I CB 0.517 38.517 38.000 0.001 0.000 1.421 315 I HN 0.002 nan 8.210 nan 0.000 0.544 316 K N 9.572 129.978 120.400 0.010 0.000 2.113 316 K HA -0.126 4.194 4.320 0.000 0.000 0.208 316 K C -0.981 175.642 176.600 0.038 0.000 1.047 316 K CA 1.822 58.121 56.287 0.021 0.000 0.928 316 K CB -0.858 31.646 32.500 0.007 0.000 0.716 316 K HN 0.329 nan 8.250 nan 0.000 0.446 317 P HA -0.018 nan 4.420 nan 0.000 0.222 317 P C 0.091 177.443 177.300 0.086 0.000 1.153 317 P CA 1.102 64.232 63.100 0.051 0.000 0.798 317 P CB 0.057 31.784 31.700 0.045 0.000 0.796 318 D N -1.177 119.298 120.400 0.124 0.000 2.347 318 D HA -0.079 4.561 4.640 0.000 0.000 0.215 318 D C 1.931 178.361 176.300 0.216 0.000 0.976 318 D CA 0.508 54.651 54.000 0.238 0.000 0.884 318 D CB -0.328 40.634 40.800 0.270 0.000 0.915 318 D HN 0.133 nan 8.370 nan 0.000 0.526 319 Q N 0.296 120.174 119.800 0.130 0.000 2.077 319 Q HA -0.122 4.219 4.340 0.000 0.000 0.206 319 Q C -0.533 175.519 176.000 0.086 0.000 0.989 319 Q CA 1.417 57.286 55.803 0.109 0.000 0.853 319 Q CB -1.773 27.011 28.738 0.075 0.000 0.907 319 Q HN 0.358 nan 8.270 nan 0.000 0.418 320 P HA -0.110 nan 4.420 nan 0.000 0.215 320 P C 1.055 178.343 177.300 -0.019 0.000 1.157 320 P CA 2.084 65.192 63.100 0.013 0.000 0.868 320 P CB -0.223 31.474 31.700 -0.004 0.000 0.788 321 A N -1.125 121.661 122.820 -0.056 0.000 1.969 321 A HA -0.136 4.184 4.320 0.000 0.000 0.218 321 A C 2.038 179.592 177.584 -0.050 0.000 1.169 321 A CA 1.188 53.077 52.037 -0.247 0.000 0.635 321 A CB -1.510 17.049 19.000 -0.735 0.000 0.810 321 A HN 0.050 nan 8.150 nan 0.000 0.445 322 L N -0.521 120.819 121.223 0.195 0.000 1.994 322 L HA -0.125 4.215 4.340 0.000 0.000 0.208 322 L C 2.325 179.277 176.870 0.136 0.000 1.071 322 L CA 1.357 56.358 54.840 0.267 0.000 0.745 322 L CB -1.053 41.154 42.059 0.247 0.000 0.892 322 L HN 0.237 nan 8.230 nan 0.000 0.431 323 L N -0.546 120.724 121.223 0.078 0.000 2.079 323 L HA -0.143 4.197 4.340 0.000 0.000 0.210 323 L C 2.587 179.462 176.870 0.008 0.000 1.081 323 L CA 1.982 56.844 54.840 0.035 0.000 0.752 323 L CB -1.916 40.154 42.059 0.018 0.000 0.896 323 L HN 0.299 nan 8.230 nan 0.000 0.433 324 A N -1.016 121.799 122.820 -0.010 0.000 2.119 324 A HA 0.067 4.388 4.320 0.000 0.000 0.217 324 A C 2.337 179.906 177.584 -0.024 0.000 1.153 324 A CA 1.198 53.213 52.037 -0.037 0.000 0.692 324 A CB -0.423 18.531 19.000 -0.076 0.000 0.799 324 A HN 0.356 nan 8.150 nan 0.000 0.458 325 A N -0.780 122.050 122.820 0.017 0.000 2.123 325 A HA 0.264 4.584 4.320 0.000 0.000 0.214 325 A C 1.988 179.594 177.584 0.037 0.000 1.152 325 A CA 0.963 53.032 52.037 0.053 0.000 0.728 325 A CB -0.429 18.660 19.000 0.150 0.000 0.814 325 A HN 0.247 nan 8.150 nan 0.000 0.464 326 V N 0.932 120.852 119.914 0.011 0.000 2.255 326 V HA -0.172 3.948 4.120 0.000 0.000 0.247 326 V C -0.106 175.946 176.094 -0.071 0.000 1.051 326 V CA 2.646 64.926 62.300 -0.032 0.000 1.018 326 V CB -1.393 30.397 31.823 -0.055 0.000 0.641 326 V HN 0.349 nan 8.190 nan 0.000 0.445 327 P HA -0.216 nan 4.420 nan 0.000 0.217 327 P C 1.630 178.862 177.300 -0.113 0.000 1.158 327 P CA 1.699 64.719 63.100 -0.133 0.000 0.887 327 P CB 0.062 31.692 31.700 -0.117 0.000 0.792 328 E N -0.637 119.547 120.200 -0.027 0.000 2.077 328 E HA -0.126 4.225 4.350 0.000 0.000 0.193 328 E C 1.944 178.618 176.600 0.123 0.000 0.989 328 E CA 0.877 57.321 56.400 0.073 0.000 0.800 328 E CB -1.188 28.572 29.700 0.100 0.000 0.746 328 E HN -0.099 nan 8.360 nan 0.000 0.452 329 V N 0.198 120.155 119.914 0.072 0.000 2.392 329 V HA -0.249 3.871 4.120 0.000 0.000 0.249 329 V C 2.105 178.265 176.094 0.110 0.000 1.059 329 V CA 1.461 63.826 62.300 0.108 0.000 1.051 329 V CB -0.343 31.520 31.823 0.066 0.000 0.658 329 V HN 0.244 nan 8.190 nan 0.000 0.455 330 L N -0.795 120.408 121.223 -0.034 0.000 2.095 330 L HA 0.011 4.352 4.340 0.000 0.000 0.204 330 L C 2.483 179.333 176.870 -0.034 0.000 1.080 330 L CA 1.611 56.427 54.840 -0.040 0.000 0.759 330 L CB -0.770 41.177 42.059 -0.187 0.000 0.914 330 L HN 0.175 nan 8.230 nan 0.000 0.439 331 R N -1.203 119.187 120.500 -0.182 0.000 2.120 331 R HA -0.139 4.201 4.340 0.000 0.000 0.234 331 R C 1.155 177.326 176.300 -0.215 0.000 1.123 331 R CA 1.339 57.244 56.100 -0.325 0.000 0.975 331 R CB -0.353 29.682 30.300 -0.443 0.000 0.866 331 R HN 0.485 nan 8.270 nan 0.000 0.446 332 H N -1.437 117.672 119.070 0.065 0.000 2.542 332 H HA 0.218 4.774 4.556 0.000 0.000 0.283 332 H C 0.656 176.060 175.328 0.125 0.000 1.059 332 H CA 0.255 56.359 56.048 0.093 0.000 1.162 332 H CB 1.068 30.869 29.762 0.064 0.000 1.539 332 H HN 0.344 nan 8.280 nan 0.000 0.543 333 G N 2.015 110.965 108.800 0.250 0.000 2.390 333 G HA2 -0.364 3.596 3.960 0.000 0.000 0.299 333 G HA3 -0.364 3.596 3.960 0.000 0.000 0.299 333 G C 0.313 175.368 174.900 0.258 0.000 1.002 333 G CA 0.224 45.474 45.100 0.250 0.000 0.979 333 G HN 0.382 nan 8.290 nan 0.000 0.513 337 L N 7.394 128.449 121.223 -0.281 0.000 2.317 337 L HA 0.667 5.007 4.340 0.000 0.000 0.281 337 L C -2.159 174.661 176.870 -0.083 0.000 1.024 337 L CA -1.907 52.834 54.840 -0.164 0.000 0.810 337 L CB 0.896 42.791 42.059 -0.273 0.000 1.240 337 L HN 0.250 nan 8.230 nan 0.000 0.427 338 P HA 0.132 nan 4.420 nan 0.000 0.274 338 P C -0.621 176.733 177.300 0.091 0.000 1.237 338 P CA -0.284 62.924 63.100 0.180 0.000 0.793 338 P CB 1.133 32.904 31.700 0.117 0.000 0.977 339 T N 0.742 115.388 114.554 0.153 0.000 2.924 339 T HA 0.573 4.923 4.350 0.000 0.000 0.291 339 T C -0.031 174.748 174.700 0.132 0.000 1.045 339 T CA -0.682 61.538 62.100 0.200 0.000 1.015 339 T CB 0.424 69.406 68.868 0.189 0.000 1.103 339 T HN 0.129 nan 8.240 nan 0.000 0.496 343 G N 1.300 109.969 108.800 -0.219 0.000 2.194 343 G HA2 -0.254 3.706 3.960 0.000 0.000 0.236 343 G HA3 -0.254 3.706 3.960 0.000 0.000 0.236 343 G C -0.479 174.005 174.900 -0.695 0.000 0.987 343 G CA 0.067 44.862 45.100 -0.508 0.000 0.635 343 G HN 0.339 nan 8.290 nan 0.000 0.520 344 F N 0.426 120.368 119.950 -0.014 0.000 2.551 344 F HA 0.687 5.214 4.527 0.000 0.000 0.316 344 F C 0.890 176.727 175.800 0.061 0.000 1.089 344 F CA 0.122 58.151 58.000 0.048 0.000 0.915 344 F CB 2.034 41.020 39.000 -0.024 0.000 1.186 344 F HN 1.072 nan 8.300 nan 0.000 0.456 345 G N 2.530 111.523 108.800 0.321 0.000 2.685 345 G HA2 -0.126 3.834 3.960 0.000 0.000 0.387 345 G HA3 -0.126 3.834 3.960 0.000 0.000 0.387 345 G C -2.667 172.258 174.900 0.042 0.000 1.324 345 G CA -0.885 44.363 45.100 0.246 0.000 0.878 345 G HN 0.437 nan 8.290 nan 0.000 0.527 346 P HA 0.129 nan 4.420 nan 0.000 0.225 346 P C 0.278 177.262 177.300 -0.526 0.000 1.156 346 P CA 1.240 64.121 63.100 -0.365 0.000 0.787 346 P CB 0.013 31.367 31.700 -0.576 0.000 0.802 347 Y N -0.748 119.536 120.300 -0.027 0.000 2.525 347 Y HA 0.285 4.836 4.550 0.000 0.000 0.365 347 Y C -1.371 174.497 175.900 -0.054 0.000 0.929 347 Y CA -2.452 55.630 58.100 -0.030 0.000 1.196 347 Y CB 0.005 38.459 38.460 -0.010 0.000 1.232 347 Y HN 0.066 nan 8.280 nan 0.000 0.613 348 P HA -0.193 nan 4.420 nan 0.000 0.221 348 P C 0.688 177.823 177.300 -0.276 0.000 1.145 348 P CA 1.847 64.813 63.100 -0.223 0.000 0.795 348 P CB 0.442 31.873 31.700 -0.449 0.000 0.775 349 H N -1.281 117.819 119.070 0.049 0.000 2.750 349 H HA 0.229 4.785 4.556 0.000 0.000 0.263 349 H C 1.340 176.692 175.328 0.040 0.000 0.964 349 H CA 0.110 56.176 56.048 0.029 0.000 1.205 349 H CB -0.366 29.400 29.762 0.007 0.000 1.454 349 H HN 0.083 nan 8.280 nan 0.000 0.503 350 G N 1.957 110.852 108.800 0.157 0.000 2.257 350 G HA2 -0.050 3.911 3.960 0.000 0.000 0.235 350 G HA3 -0.050 3.911 3.960 0.000 0.000 0.235 350 G C -0.027 174.916 174.900 0.070 0.000 1.225 350 G CA -0.267 44.881 45.100 0.080 0.000 0.878 350 G HN 0.271 nan 8.290 nan 0.000 0.505 351 R N 1.293 121.808 120.500 0.026 0.000 2.267 351 R HA 0.174 4.514 4.340 0.000 0.000 0.319 351 R C 0.063 176.377 176.300 0.024 0.000 1.067 351 R CA -0.623 55.497 56.100 0.033 0.000 0.936 351 R CB 0.755 31.051 30.300 -0.007 0.000 1.006 351 R HN 0.516 nan 8.270 nan 0.000 0.452 352 F N 3.162 123.076 119.950 -0.060 0.000 2.578 352 F HA 0.273 4.800 4.527 0.000 0.000 0.381 352 F C -0.257 175.477 175.800 -0.111 0.000 1.069 352 F CA -0.245 57.687 58.000 -0.113 0.000 1.231 352 F CB 0.296 39.238 39.000 -0.096 0.000 1.086 352 F HN 0.596 nan 8.300 nan 0.000 0.564 353 A N 5.771 128.054 122.820 -0.894 0.000 2.594 353 A HA 0.538 4.858 4.320 0.000 0.000 0.295 353 A C -2.084 175.071 177.584 -0.715 0.000 1.071 353 A CA -0.724 50.836 52.037 -0.795 0.000 0.685 353 A CB 0.405 19.187 19.000 -0.363 0.000 1.285 353 A HN 0.871 nan 8.150 nan 0.000 0.405 354 W N 1.054 122.047 121.300 -0.512 0.000 2.469 354 W HA 0.684 5.345 4.660 0.000 0.000 0.320 354 W C -0.329 176.083 176.519 -0.178 0.000 1.086 354 W CA -0.220 56.958 57.345 -0.279 0.000 1.211 354 W CB 1.604 30.933 29.460 -0.219 0.000 1.298 354 W HN 0.452 nan 8.180 nan 0.000 0.525 355 I N 5.262 125.981 120.570 0.247 0.000 2.382 355 I HA 0.128 4.298 4.170 0.000 0.000 0.286 355 I C -0.551 175.693 176.117 0.213 0.000 1.002 355 I CA -0.918 60.471 61.300 0.149 0.000 1.135 355 I CB 1.307 39.340 38.000 0.055 0.000 1.288 355 I HN 0.506 nan 8.210 nan 0.000 0.448 356 N N 3.865 122.631 118.700 0.110 0.000 2.714 356 N HA -0.210 4.530 4.740 0.000 0.000 0.253 356 N C 0.158 175.668 175.510 0.000 0.000 1.024 356 N CA 0.563 53.645 53.050 0.054 0.000 0.726 356 N CB -0.909 37.634 38.487 0.094 0.000 0.908 356 N HN 0.625 nan 8.380 nan 0.000 0.542 357 R N 1.195 121.610 120.500 -0.142 0.000 2.484 357 R HA 0.119 4.459 4.340 0.000 0.000 0.293 357 R C -1.896 174.103 176.300 -0.501 0.000 1.023 357 R CA -0.665 55.066 56.100 -0.616 0.000 1.037 357 R CB 0.494 30.102 30.300 -1.154 0.000 0.951 357 R HN 0.079 nan 8.270 nan 0.000 0.418 358 P HA 0.108 nan 4.420 nan 0.000 0.276 358 P C -0.655 176.378 177.300 -0.446 0.000 1.244 358 P CA -0.203 62.683 63.100 -0.357 0.000 0.801 358 P CB 0.943 32.502 31.700 -0.236 0.000 1.006 359 E N -0.518 119.490 120.200 -0.319 0.000 2.216 359 E HA -0.030 4.320 4.350 0.000 0.000 0.192 359 E C 0.320 176.752 176.600 -0.279 0.000 0.973 359 E CA 0.085 56.301 56.400 -0.307 0.000 0.851 359 E CB -0.088 29.507 29.700 -0.176 0.000 0.804 359 E HN 0.513 nan 8.360 nan 0.000 0.477 360 D N -0.172 120.133 120.400 -0.158 0.000 2.493 360 D HA -0.124 4.516 4.640 0.000 0.000 0.240 360 D C -0.070 176.188 176.300 -0.071 0.000 1.142 360 D CA 0.314 54.302 54.000 -0.021 0.000 0.872 360 D CB 0.399 41.225 40.800 0.044 0.000 1.173 360 D HN 0.069 nan 8.370 nan 0.000 0.467 361 W N 2.801 124.122 121.300 0.036 0.000 2.658 361 W HA 0.071 4.731 4.660 0.000 0.000 0.263 361 W C 1.832 178.319 176.519 -0.054 0.000 1.274 361 W CA -0.357 56.966 57.345 -0.036 0.000 1.343 361 W CB -0.125 29.271 29.460 -0.106 0.000 1.106 361 W HN 0.455 nan 8.180 nan 0.000 0.615 362 F N 0.555 120.642 119.950 0.228 0.000 2.234 362 F HA -0.148 4.380 4.527 0.000 0.000 0.299 362 F C 2.132 178.005 175.800 0.122 0.000 1.087 362 F CA 1.423 59.520 58.000 0.161 0.000 1.340 362 F CB -0.369 38.695 39.000 0.108 0.000 1.031 362 F HN -0.093 nan 8.300 nan 0.000 0.500 363 E N -0.281 120.062 120.200 0.238 0.000 2.107 363 E HA -0.125 4.225 4.350 0.000 0.000 0.191 363 E C 2.298 178.978 176.600 0.135 0.000 0.982 363 E CA 0.524 57.009 56.400 0.143 0.000 0.809 363 E CB -0.111 29.626 29.700 0.062 0.000 0.756 363 E HN 0.387 nan 8.360 nan 0.000 0.459 364 R N 0.703 121.238 120.500 0.058 0.000 2.075 364 R HA -0.026 4.314 4.340 0.000 0.000 0.232 364 R C 2.420 178.885 176.300 0.276 0.000 1.126 364 R CA 0.870 57.033 56.100 0.105 0.000 0.963 364 R CB -0.097 30.042 30.300 -0.268 0.000 0.858 364 R HN 0.087 nan 8.270 nan 0.000 0.435 365 R N 0.262 120.922 120.500 0.267 0.000 2.073 365 R HA -0.069 4.271 4.340 0.000 0.000 0.234 365 R C 2.350 178.791 176.300 0.234 0.000 1.134 365 R CA 1.388 57.642 56.100 0.257 0.000 0.952 365 R CB -0.438 29.974 30.300 0.187 0.000 0.850 365 R HN 0.180 nan 8.270 nan 0.000 0.433 366 A N 1.530 124.482 122.820 0.220 0.000 1.883 366 A HA -0.155 4.165 4.320 0.000 0.000 0.217 366 A C 2.422 180.114 177.584 0.179 0.000 1.186 366 A CA 1.855 54.004 52.037 0.186 0.000 0.624 366 A CB -0.685 18.408 19.000 0.155 0.000 0.822 366 A HN 0.413 nan 8.150 nan 0.000 0.444 367 A N -0.293 122.657 122.820 0.217 0.000 1.940 367 A HA 0.137 4.458 4.320 0.000 0.000 0.219 367 A C 2.452 180.173 177.584 0.229 0.000 1.176 367 A CA 2.091 54.276 52.037 0.248 0.000 0.631 367 A CB -0.903 18.328 19.000 0.386 0.000 0.814 367 A HN 1.104 nan 8.150 nan 0.000 0.446 368 A N -1.230 121.735 122.820 0.242 0.000 1.969 368 A HA -0.110 4.210 4.320 0.000 0.000 0.218 368 A C 2.224 179.953 177.584 0.242 0.000 1.169 368 A CA 1.559 53.734 52.037 0.229 0.000 0.635 368 A CB -1.069 18.068 19.000 0.229 0.000 0.810 368 A HN 0.605 nan 8.150 nan 0.000 0.445 369 C N -0.798 118.643 119.300 0.236 0.000 2.457 369 C HA 0.060 4.520 4.460 0.000 0.000 0.278 369 C C 2.555 177.697 174.990 0.254 0.000 1.309 369 C CA 0.621 59.808 59.018 0.280 0.000 1.735 369 C CB -1.338 26.576 27.740 0.291 0.000 1.992 369 C HN 0.612 nan 8.230 nan 0.000 0.493 370 L N -0.230 121.087 121.223 0.155 0.000 2.093 370 L HA -0.160 4.180 4.340 0.000 0.000 0.208 370 L C 2.577 179.464 176.870 0.029 0.000 1.085 370 L CA 1.748 56.623 54.840 0.059 0.000 0.755 370 L CB -0.832 41.227 42.059 0.001 0.000 0.904 370 L HN 0.405 nan 8.230 nan 0.000 0.435 371 Y N 1.089 121.360 120.300 -0.047 0.000 2.145 371 Y HA -0.242 4.308 4.550 0.000 0.000 0.286 371 Y C 2.481 178.291 175.900 -0.151 0.000 1.145 371 Y CA 1.301 59.303 58.100 -0.162 0.000 1.148 371 Y CB -0.398 38.009 38.460 -0.089 0.000 0.981 371 Y HN 0.069 nan 8.280 nan 0.000 0.507 372 A N 0.636 123.330 122.820 -0.210 0.000 2.019 372 A HA -0.039 4.281 4.320 0.000 0.000 0.219 372 A C 2.402 180.051 177.584 0.109 0.000 1.164 372 A CA 1.664 53.576 52.037 -0.207 0.000 0.644 372 A CB -1.398 17.489 19.000 -0.189 0.000 0.805 372 A HN 0.644 nan 8.150 nan 0.000 0.449 373 A N -0.162 122.743 122.820 0.141 0.000 1.873 373 A HA -0.007 4.313 4.320 0.000 0.000 0.215 373 A C 2.153 179.619 177.584 -0.197 0.000 1.186 373 A CA 1.401 53.422 52.037 -0.025 0.000 0.616 373 A CB -0.581 18.335 19.000 -0.141 0.000 0.823 373 A HN 0.452 nan 8.150 nan 0.000 0.442 374 L N -0.527 120.451 121.223 -0.409 0.000 2.017 374 L HA -0.174 4.166 4.340 0.000 0.000 0.208 374 L C 2.558 179.091 176.870 -0.562 0.000 1.073 374 L CA 1.220 55.639 54.840 -0.701 0.000 0.745 374 L CB -0.467 40.668 42.059 -1.541 0.000 0.894 374 L HN 0.256 nan 8.230 nan 0.000 0.432 375 V N -0.229 119.329 119.914 -0.594 0.000 2.358 375 V HA -0.270 3.851 4.120 0.000 0.000 0.246 375 V C 2.701 178.513 176.094 -0.470 0.000 1.047 375 V CA 1.679 63.680 62.300 -0.499 0.000 1.035 375 V CB -0.827 30.367 31.823 -1.049 0.000 0.658 375 V HN 0.482 nan 8.190 nan 0.000 0.452 376 A N 0.176 122.845 122.820 -0.251 0.000 1.883 376 A HA -0.331 3.990 4.320 0.000 0.000 0.217 376 A C 2.036 179.665 177.584 0.075 0.000 1.186 376 A CA 2.296 54.436 52.037 0.170 0.000 0.624 376 A CB -0.835 18.431 19.000 0.442 0.000 0.822 376 A HN 0.591 nan 8.150 nan 0.000 0.444 377 D N -1.061 119.330 120.400 -0.015 0.000 2.133 377 D HA -0.148 4.492 4.640 0.000 0.000 0.192 377 D C 1.930 178.250 176.300 0.032 0.000 1.001 377 D CA 2.164 56.161 54.000 -0.006 0.000 0.844 377 D CB -0.168 40.602 40.800 -0.050 0.000 0.944 377 D HN 0.384 nan 8.370 nan 0.000 0.447 378 T N -0.614 113.962 114.554 0.035 0.000 2.777 378 T HA -0.058 4.292 4.350 0.000 0.000 0.266 378 T C 1.921 176.628 174.700 0.013 0.000 1.040 378 T CA 1.359 63.494 62.100 0.059 0.000 1.141 378 T CB -0.493 68.448 68.868 0.121 0.000 0.868 378 T HN 0.282 nan 8.240 nan 0.000 0.444 379 A N 1.277 124.105 122.820 0.014 0.000 1.902 379 A HA 0.005 4.325 4.320 0.000 0.000 0.217 379 A C 2.262 179.906 177.584 0.099 0.000 1.181 379 A CA 1.226 53.308 52.037 0.075 0.000 0.623 379 A CB -0.835 18.282 19.000 0.195 0.000 0.818 379 A HN 0.478 nan 8.150 nan 0.000 0.443 380 L N -0.615 120.670 121.223 0.104 0.000 2.093 380 L HA -0.171 4.169 4.340 0.000 0.000 0.208 380 L C 2.045 178.957 176.870 0.070 0.000 1.085 380 L CA 1.268 56.165 54.840 0.095 0.000 0.755 380 L CB -0.585 41.527 42.059 0.089 0.000 0.904 380 L HN 0.267 nan 8.230 nan 0.000 0.435 381 D N 0.207 120.642 120.400 0.058 0.000 2.117 381 D HA -0.142 4.498 4.640 0.000 0.000 0.197 381 D C 2.411 178.739 176.300 0.048 0.000 0.987 381 D CA 1.095 55.125 54.000 0.050 0.000 0.829 381 D CB -0.176 40.654 40.800 0.050 0.000 0.961 381 D HN 0.225 nan 8.370 nan 0.000 0.460 382 L N 0.814 122.063 121.223 0.043 0.000 2.129 382 L HA -0.144 4.196 4.340 0.000 0.000 0.212 382 L C 2.208 179.113 176.870 0.059 0.000 1.087 382 L CA 0.956 55.820 54.840 0.040 0.000 0.757 382 L CB -0.401 41.675 42.059 0.029 0.000 0.896 382 L HN 0.188 nan 8.230 nan 0.000 0.434 383 I N -4.268 116.344 120.570 0.069 0.000 4.018 383 I HA 0.377 4.547 4.170 0.000 0.000 0.337 383 I C 1.135 177.292 176.117 0.066 0.000 1.327 383 I CA 0.432 61.777 61.300 0.075 0.000 1.100 383 I CB 0.148 38.202 38.000 0.091 0.000 1.025 383 I HN 0.181 nan 8.210 nan 0.000 0.396 384 G N 1.869 110.704 108.800 0.058 0.000 2.176 384 G HA2 -0.259 3.701 3.960 0.000 0.000 0.252 384 G HA3 -0.259 3.701 3.960 0.000 0.000 0.252 384 G C 0.140 175.072 174.900 0.053 0.000 1.024 384 G CA 0.394 45.524 45.100 0.051 0.000 0.755 384 G HN 0.486 nan 8.290 nan 0.000 0.507 385 S N -0.153 115.582 115.700 0.060 0.000 2.537 385 S HA 0.552 5.022 4.470 0.000 0.000 0.286 385 S C 0.545 175.176 174.600 0.050 0.000 1.299 385 S CA 0.992 59.228 58.200 0.061 0.000 1.067 385 S CB 1.523 64.766 63.200 0.072 0.000 0.864 385 S HN 0.825 nan 8.310 nan 0.000 0.494 386 T N 1.292 115.875 114.554 0.049 0.000 2.816 386 T HA 0.639 4.989 4.350 0.000 0.000 0.299 386 T C 0.789 175.516 174.700 0.045 0.000 1.230 386 T CA 0.597 62.721 62.100 0.040 0.000 1.007 386 T CB 0.922 69.811 68.868 0.036 0.000 1.289 386 T HN 0.949 nan 8.240 nan 0.000 0.508 387 G N 2.579 111.402 108.800 0.038 0.000 5.356 387 G HA2 -0.210 3.750 3.960 0.000 0.000 0.309 387 G HA3 -0.210 3.750 3.960 0.000 0.000 0.309 387 G C -0.356 174.581 174.900 0.061 0.000 1.451 387 G CA 0.559 45.688 45.100 0.048 0.000 0.978 387 G HN 0.907 nan 8.290 nan 0.000 0.771 388 R N 0.050 120.605 120.500 0.091 0.000 2.740 388 R HA 0.830 5.170 4.340 0.000 0.000 0.282 388 R C -0.383 175.987 176.300 0.116 0.000 0.969 388 R CA -0.497 55.688 56.100 0.142 0.000 0.918 388 R CB 1.922 32.357 30.300 0.224 0.000 1.175 388 R HN 0.420 nan 8.270 nan 0.000 0.464 389 I N 3.132 123.772 120.570 0.117 0.000 2.497 389 I HA 0.218 4.388 4.170 0.000 0.000 0.284 389 I C -1.349 174.844 176.117 0.127 0.000 1.060 389 I CA -1.012 60.347 61.300 0.098 0.000 1.071 389 I CB 1.890 39.920 38.000 0.050 0.000 1.216 389 I HN 0.298 nan 8.210 nan 0.000 0.442 390 L N 8.429 129.729 121.223 0.127 0.000 2.275 390 L HA 0.493 4.833 4.340 0.000 0.000 0.288 390 L C -0.544 176.385 176.870 0.098 0.000 1.046 390 L CA -0.207 54.698 54.840 0.108 0.000 0.805 390 L CB 1.514 43.616 42.059 0.072 0.000 1.193 390 L HN 0.290 nan 8.230 nan 0.000 0.426 391 V N 5.692 125.665 119.914 0.097 0.000 2.347 391 V HA 0.482 4.602 4.120 0.000 0.000 0.280 391 V C 0.139 176.290 176.094 0.095 0.000 1.021 391 V CA -0.620 61.752 62.300 0.119 0.000 0.847 391 V CB 1.045 32.969 31.823 0.167 0.000 0.990 391 V HN 0.810 nan 8.190 nan 0.000 0.444 392 E N 2.401 122.644 120.200 0.073 0.000 2.316 392 E HA 0.793 5.143 4.350 0.000 0.000 0.258 392 E C 0.380 176.994 176.600 0.024 0.000 0.952 392 E CA -0.134 56.301 56.400 0.059 0.000 0.818 392 E CB 2.086 31.826 29.700 0.066 0.000 1.260 392 E HN 0.991 nan 8.360 nan 0.000 0.416 393 G N 0.607 109.424 108.800 0.029 0.000 2.760 393 G HA2 -0.308 3.652 3.960 0.000 0.000 0.246 393 G HA3 -0.308 3.652 3.960 0.000 0.000 0.246 393 G C 0.396 175.280 174.900 -0.027 0.000 1.359 393 G CA 0.222 45.322 45.100 -0.000 0.000 0.861 393 G HN 0.707 nan 8.290 nan 0.000 0.541 394 R N -1.103 119.342 120.500 -0.091 0.000 2.148 394 R HA 0.206 4.546 4.340 0.000 0.000 0.223 394 R C 1.979 178.078 176.300 -0.335 0.000 1.088 394 R CA 2.104 58.071 56.100 -0.223 0.000 0.985 394 R CB -0.269 29.840 30.300 -0.317 0.000 0.880 394 R HN 0.402 nan 8.270 nan 0.000 0.451 395 F N 1.278 121.144 119.950 -0.140 0.000 2.802 395 F HA 0.237 4.764 4.527 0.000 0.000 0.300 395 F C 2.235 178.048 175.800 0.021 0.000 1.168 395 F CA 0.474 58.390 58.000 -0.140 0.000 1.433 395 F CB 0.146 38.914 39.000 -0.387 0.000 1.115 395 F HN 0.184 nan 8.300 nan 0.000 0.582 396 A N -0.457 122.440 122.820 0.128 0.000 2.119 396 A HA -0.059 4.261 4.320 0.000 0.000 0.216 396 A C 1.805 179.461 177.584 0.121 0.000 1.152 396 A CA 0.969 53.103 52.037 0.161 0.000 0.708 396 A CB -0.322 18.739 19.000 0.103 0.000 0.805 396 A HN 0.264 nan 8.150 nan 0.000 0.460 397 E N -0.482 119.755 120.200 0.062 0.000 2.474 397 E HA 0.345 4.695 4.350 0.000 0.000 0.195 397 E C 0.449 177.090 176.600 0.069 0.000 1.039 397 E CA 0.367 56.792 56.400 0.043 0.000 0.881 397 E CB 0.338 30.031 29.700 -0.012 0.000 0.970 397 E HN 0.441 nan 8.360 nan 0.000 0.486 398 A N 1.145 124.046 122.820 0.136 0.000 2.922 398 A HA 0.115 4.435 4.320 0.000 0.000 0.298 398 A C 0.347 178.076 177.584 0.242 0.000 1.588 398 A CA -0.396 51.763 52.037 0.203 0.000 1.288 398 A CB -0.089 19.095 19.000 0.308 0.000 1.130 398 A HN 0.000 nan 8.150 nan 0.000 0.557 399 D N 1.271 121.765 120.400 0.156 0.000 2.230 399 D HA -0.207 4.433 4.640 0.000 0.000 0.189 399 D C 2.070 178.447 176.300 0.129 0.000 1.006 399 D CA 2.018 56.090 54.000 0.120 0.000 0.853 399 D CB -0.287 40.562 40.800 0.083 0.000 0.959 399 D HN 0.322 nan 8.370 nan 0.000 0.449 400 V N 0.645 120.645 119.914 0.143 0.000 2.278 400 V HA -0.299 3.821 4.120 0.000 0.000 0.251 400 V C 2.154 178.336 176.094 0.146 0.000 1.062 400 V CA 1.962 64.336 62.300 0.124 0.000 1.038 400 V CB -0.692 31.218 31.823 0.145 0.000 0.646 400 V HN 0.168 nan 8.190 nan 0.000 0.447 401 F N 1.524 121.535 119.950 0.100 0.000 2.075 401 F HA -0.199 4.328 4.527 0.000 0.000 0.297 401 F C 2.319 178.170 175.800 0.085 0.000 1.113 401 F CA 2.317 60.386 58.000 0.114 0.000 1.218 401 F CB -0.540 38.586 39.000 0.209 0.000 0.984 401 F HN 0.085 nan 8.300 nan 0.000 0.472 402 V N -0.077 119.818 119.914 -0.031 0.000 2.453 402 V HA -0.160 3.960 4.120 0.000 0.000 0.247 402 V C 2.303 178.302 176.094 -0.158 0.000 1.048 402 V CA 1.822 64.020 62.300 -0.169 0.000 1.049 402 V CB -1.089 30.759 31.823 0.041 0.000 0.672 402 V HN 0.364 nan 8.190 nan 0.000 0.457 403 R N 1.577 122.029 120.500 -0.079 0.000 2.115 403 R HA 0.139 4.479 4.340 0.000 0.000 0.226 403 R C 2.533 178.767 176.300 -0.110 0.000 1.100 403 R CA 1.344 57.396 56.100 -0.080 0.000 0.980 403 R CB -0.803 29.472 30.300 -0.041 0.000 0.875 403 R HN 0.586 nan 8.270 nan 0.000 0.445 404 A N 1.922 124.666 122.820 -0.127 0.000 1.902 404 A HA -0.153 4.167 4.320 0.000 0.000 0.217 404 A C 2.164 179.635 177.584 -0.188 0.000 1.181 404 A CA 1.030 52.980 52.037 -0.147 0.000 0.623 404 A CB -0.437 18.484 19.000 -0.132 0.000 0.818 404 A HN 0.188 nan 8.150 nan 0.000 0.443 405 L N -0.297 120.753 121.223 -0.289 0.000 2.083 405 L HA -0.077 4.263 4.340 0.000 0.000 0.209 405 L C 2.733 179.499 176.870 -0.175 0.000 1.083 405 L CA 2.020 56.690 54.840 -0.283 0.000 0.752 405 L CB -0.738 41.059 42.059 -0.436 0.000 0.899 405 L HN 0.366 nan 8.230 nan 0.000 0.433 406 A N -1.809 120.915 122.820 -0.159 0.000 1.933 406 A HA -0.169 4.151 4.320 0.000 0.000 0.218 406 A C 2.375 179.901 177.584 -0.096 0.000 1.175 406 A CA 1.884 53.847 52.037 -0.123 0.000 0.628 406 A CB -0.761 18.168 19.000 -0.119 0.000 0.814 406 A HN 0.510 nan 8.150 nan 0.000 0.444 407 S N 0.020 115.664 115.700 -0.093 0.000 2.368 407 S HA -0.050 4.420 4.470 0.000 0.000 0.224 407 S C 1.703 176.268 174.600 -0.057 0.000 1.029 407 S CA 1.321 59.478 58.200 -0.070 0.000 0.988 407 S CB -0.427 62.729 63.200 -0.074 0.000 0.838 407 S HN 0.509 nan 8.310 nan 0.000 0.462 408 L N 0.443 121.624 121.223 -0.071 0.000 2.362 408 L HA 0.031 4.371 4.340 0.000 0.000 0.219 408 L C 0.716 177.564 176.870 -0.037 0.000 1.134 408 L CA 0.895 55.704 54.840 -0.050 0.000 0.807 408 L CB -0.156 41.860 42.059 -0.072 0.000 0.927 408 L HN 0.087 nan 8.230 nan 0.000 0.447 409 R N -0.635 119.835 120.500 -0.050 0.000 2.639 409 R HA 0.202 4.542 4.340 0.000 0.000 0.273 409 R C -2.037 174.237 176.300 -0.045 0.000 1.732 409 R CA -1.310 54.767 56.100 -0.038 0.000 1.586 409 R CB 0.825 31.102 30.300 -0.039 0.000 1.263 409 R HN -0.109 nan 8.270 nan 0.000 0.615 410 P HA -0.159 nan 4.420 nan 0.000 0.226 410 P C 0.531 177.812 177.300 -0.031 0.000 1.153 410 P CA 1.020 64.099 63.100 -0.035 0.000 0.777 410 P CB 0.263 31.951 31.700 -0.021 0.000 0.794 411 D N -0.597 119.790 120.400 -0.022 0.000 2.091 411 D HA -0.090 4.550 4.640 0.000 0.000 0.199 411 D C 0.426 176.714 176.300 -0.020 0.000 0.980 411 D CA 0.560 54.552 54.000 -0.013 0.000 0.831 411 D CB -1.196 39.603 40.800 -0.001 0.000 0.987 411 D HN 0.100 nan 8.370 nan 0.000 0.460 412 C N 1.381 120.664 119.300 -0.028 0.000 2.604 412 C HA 0.626 5.086 4.460 0.000 0.000 0.396 412 C C 0.851 175.788 174.990 -0.089 0.000 1.282 412 C CA -0.825 58.172 59.018 -0.035 0.000 2.292 412 C CB 0.443 28.168 27.740 -0.025 0.000 2.633 412 C HN 0.419 nan 8.230 nan 0.000 0.620 413 A N 2.491 125.240 122.820 -0.117 0.000 2.316 413 A HA 0.538 4.859 4.320 0.000 0.000 0.311 413 A C -0.253 177.053 177.584 -0.464 0.000 1.339 413 A CA -0.191 51.658 52.037 -0.313 0.000 0.960 413 A CB -0.061 18.752 19.000 -0.313 0.000 1.152 413 A HN 0.767 nan 8.150 nan 0.000 0.547 414 V N 4.000 123.670 119.914 -0.407 0.000 2.432 414 V HA 0.244 4.364 4.120 0.000 0.000 0.271 414 V C -0.554 175.301 176.094 -0.398 0.000 1.046 414 V CA 0.053 62.179 62.300 -0.290 0.000 0.945 414 V CB -0.409 31.310 31.823 -0.173 0.000 0.992 414 V HN 0.717 nan 8.190 nan 0.000 0.471 415 Y N 2.292 122.563 120.300 -0.048 0.000 2.487 415 Y HA 0.658 5.208 4.550 0.000 0.000 0.337 415 Y C 0.559 176.415 175.900 -0.073 0.000 1.076 415 Y CA -0.579 57.474 58.100 -0.079 0.000 1.115 415 Y CB 2.203 40.583 38.460 -0.133 0.000 1.235 415 Y HN 0.573 nan 8.280 nan 0.000 0.468 416 T N 0.605 115.219 114.554 0.099 0.000 2.924 416 T HA 0.870 5.220 4.350 0.000 0.000 0.291 416 T C -0.619 174.060 174.700 -0.035 0.000 1.045 416 T CA -0.469 61.653 62.100 0.037 0.000 1.015 416 T CB 0.907 69.803 68.868 0.047 0.000 1.103 416 T HN 0.839 nan 8.240 nan 0.000 0.496 417 A N 2.175 124.974 122.820 -0.036 0.000 2.326 417 A HA 0.829 5.149 4.320 0.000 0.000 0.303 417 A C -0.598 177.009 177.584 0.040 0.000 1.164 417 A CA -0.732 51.278 52.037 -0.044 0.000 0.929 417 A CB 0.570 19.593 19.000 0.037 0.000 1.363 417 A HN 0.987 nan 8.150 nan 0.000 0.498 418 N N -2.022 116.729 118.700 0.085 0.000 2.946 418 N HA 0.546 5.287 4.740 0.000 0.000 0.213 418 N C -0.996 174.568 175.510 0.092 0.000 1.440 418 N CA 0.439 53.536 53.050 0.079 0.000 0.745 418 N CB 0.555 39.074 38.487 0.053 0.000 1.471 418 N HN 1.474 nan 8.380 nan 0.000 0.569 419 A N 0.286 123.172 122.820 0.110 0.000 2.571 419 A HA 0.655 4.975 4.320 0.000 0.000 0.296 419 A C -0.601 177.104 177.584 0.202 0.000 1.005 419 A CA -0.284 51.838 52.037 0.141 0.000 0.682 419 A CB 0.079 19.143 19.000 0.107 0.000 1.292 419 A HN 1.290 nan 8.150 nan 0.000 0.420 425 F N 3.418 123.105 119.950 -0.439 0.000 2.236 425 F HA 0.026 4.553 4.527 0.000 0.000 0.302 425 F C 1.957 177.435 175.800 -0.537 0.000 1.073 425 F CA 2.010 59.544 58.000 -0.776 0.000 1.336 425 F CB -0.681 38.090 39.000 -0.381 0.000 1.040 425 F HN 0.233 nan 8.300 nan 0.000 0.507 426 G N 0.178 108.627 108.800 -0.585 0.000 2.469 426 G HA2 -0.296 3.664 3.960 0.000 0.000 0.220 426 G HA3 -0.296 3.664 3.960 0.000 0.000 0.220 426 G C 1.877 176.409 174.900 -0.613 0.000 1.136 426 G CA 0.948 45.696 45.100 -0.586 0.000 0.759 426 G HN 0.657 nan 8.290 nan 0.000 0.562 427 A N 0.430 122.936 122.820 -0.522 0.000 1.940 427 A HA 0.004 4.324 4.320 0.000 0.000 0.219 427 A C 2.296 179.595 177.584 -0.475 0.000 1.176 427 A CA 1.516 53.303 52.037 -0.417 0.000 0.631 427 A CB -0.371 18.429 19.000 -0.333 0.000 0.814 427 A HN 0.299 nan 8.150 nan 0.000 0.446 428 L N -0.254 120.557 121.223 -0.687 0.000 2.187 428 L HA -0.137 4.203 4.340 0.000 0.000 0.213 428 L C 2.441 179.033 176.870 -0.463 0.000 1.100 428 L CA 1.599 56.088 54.840 -0.585 0.000 0.765 428 L CB -0.800 40.840 42.059 -0.700 0.000 0.904 428 L HN 0.378 nan 8.230 nan 0.000 0.437 429 R N -1.465 118.705 120.500 -0.550 0.000 2.307 429 R HA -0.023 4.317 4.340 0.000 0.000 0.199 429 R C 1.758 177.922 176.300 -0.227 0.000 1.000 429 R CA 0.127 56.014 56.100 -0.355 0.000 1.023 429 R CB -0.097 29.987 30.300 -0.360 0.000 0.908 429 R HN 0.215 nan 8.270 nan 0.000 0.473 430 L N 0.417 121.498 121.223 -0.237 0.000 2.156 430 L HA -0.072 4.268 4.340 0.000 0.000 0.208 430 L C 1.954 178.747 176.870 -0.128 0.000 1.095 430 L CA 1.531 56.272 54.840 -0.165 0.000 0.770 430 L CB -0.256 41.703 42.059 -0.166 0.000 0.914 430 L HN 0.126 nan 8.230 nan 0.000 0.439 431 I N -1.313 119.169 120.570 -0.146 0.000 2.339 431 I HA -0.071 4.099 4.170 0.000 0.000 0.245 431 I C 0.235 176.302 176.117 -0.084 0.000 1.096 431 I CA 0.712 61.949 61.300 -0.106 0.000 1.408 431 I CB 0.194 38.126 38.000 -0.112 0.000 1.092 431 I HN 0.129 nan 8.210 nan 0.000 0.423 432 D N 0.253 120.593 120.400 -0.100 0.000 2.346 432 D HA 0.201 4.841 4.640 0.000 0.000 0.255 432 D C -2.060 174.199 176.300 -0.069 0.000 1.276 432 D CA -2.123 51.838 54.000 -0.066 0.000 0.941 432 D CB 1.339 42.112 40.800 -0.046 0.000 1.199 432 D HN -0.163 nan 8.370 nan 0.000 0.537 433 P HA -0.004 nan 4.420 nan 0.000 0.221 433 P C 1.374 178.661 177.300 -0.022 0.000 1.145 433 P CA 0.818 63.893 63.100 -0.042 0.000 0.795 433 P CB 0.327 32.017 31.700 -0.016 0.000 0.775 434 G N -1.091 107.701 108.800 -0.013 0.000 2.534 434 G HA2 -0.080 3.880 3.960 0.000 0.000 0.217 434 G HA3 -0.080 3.880 3.960 0.000 0.000 0.217 434 G C 0.465 175.374 174.900 0.014 0.000 1.128 434 G CA 0.042 45.142 45.100 -0.000 0.000 0.784 434 G HN 0.144 nan 8.290 nan 0.000 0.542 435 L N 0.854 122.094 121.223 0.027 0.000 2.485 435 L HA 0.324 4.665 4.340 0.000 0.000 0.275 435 L C 0.692 177.652 176.870 0.150 0.000 1.207 435 L CA 0.257 55.159 54.840 0.103 0.000 0.855 435 L CB 0.566 42.715 42.059 0.150 0.000 1.114 435 L HN 0.165 nan 8.230 nan 0.000 0.485 436 R N 3.234 123.781 120.500 0.078 0.000 2.803 436 R HA 0.519 4.859 4.340 0.000 0.000 0.276 436 R C -2.320 173.709 176.300 -0.452 0.000 0.978 436 R CA -1.876 54.163 56.100 -0.103 0.000 0.939 436 R CB 1.320 31.538 30.300 -0.136 0.000 1.179 436 R HN 0.374 nan 8.270 nan 0.000 0.472 437 P HA -0.046 nan 4.420 nan 0.000 0.270 437 P C 0.226 177.164 177.300 -0.603 0.000 1.227 437 P CA -0.063 62.391 63.100 -1.077 0.000 0.788 437 P CB 0.684 31.614 31.700 -1.284 0.000 0.926 438 Q N 0.757 120.297 119.800 -0.433 0.000 2.050 438 Q HA -0.020 4.320 4.340 0.000 0.000 0.202 438 Q C 1.235 177.190 176.000 -0.074 0.000 0.980 438 Q CA 2.080 57.761 55.803 -0.204 0.000 0.840 438 Q CB -0.968 27.697 28.738 -0.122 0.000 0.898 438 Q HN 0.662 nan 8.270 nan 0.000 0.424 439 G N -0.957 107.854 108.800 0.019 0.000 2.782 439 G HA2 0.431 4.391 3.960 0.000 0.000 0.201 439 G HA3 0.431 4.391 3.960 0.000 0.000 0.201 439 G C -0.623 174.390 174.900 0.189 0.000 1.374 439 G CA -0.509 44.648 45.100 0.095 0.000 1.039 439 G HN 0.128 nan 8.290 nan 0.000 0.576 440 E N -0.927 119.367 120.200 0.156 0.000 2.339 440 E HA 0.448 4.798 4.350 0.000 0.000 0.262 440 E C -0.826 175.770 176.600 -0.007 0.000 0.934 440 E CA -0.672 55.801 56.400 0.122 0.000 0.802 440 E CB 2.365 32.101 29.700 0.060 0.000 1.275 440 E HN 0.176 nan 8.360 nan 0.000 0.427 441 L N 1.006 122.141 121.223 -0.146 0.000 2.325 441 L HA 0.398 4.738 4.340 0.000 0.000 0.279 441 L C -0.379 176.486 176.870 -0.008 0.000 1.054 441 L CA -0.956 53.729 54.840 -0.258 0.000 0.804 441 L CB 1.372 43.065 42.059 -0.609 0.000 1.200 441 L HN 0.116 nan 8.230 nan 0.000 0.436 442 V N 3.067 123.029 119.914 0.080 0.000 2.357 442 V HA 0.312 4.432 4.120 0.000 0.000 0.284 442 V C 0.140 176.335 176.094 0.169 0.000 1.018 442 V CA -0.746 61.620 62.300 0.111 0.000 0.841 442 V CB 1.510 33.364 31.823 0.052 0.000 0.991 442 V HN 0.641 nan 8.190 nan 0.000 0.437 443 R N 5.482 126.067 120.500 0.142 0.000 2.401 443 R HA 0.240 4.581 4.340 0.000 0.000 0.299 443 R C -0.478 175.766 176.300 -0.094 0.000 1.064 443 R CA -0.049 56.009 56.100 -0.069 0.000 1.000 443 R CB 0.128 30.392 30.300 -0.061 0.000 0.973 443 R HN 0.500 nan 8.270 nan 0.000 0.438 444 I N 5.509 125.982 120.570 -0.162 0.000 2.416 444 I HA 0.089 4.259 4.170 0.000 0.000 0.288 444 I C 0.450 176.506 176.117 -0.102 0.000 1.051 444 I CA -0.472 60.767 61.300 -0.101 0.000 1.375 444 I CB 0.800 38.743 38.000 -0.095 0.000 1.407 444 I HN 0.740 nan 8.210 nan 0.000 0.516 445 E N 8.064 128.225 120.200 -0.065 0.000 2.313 445 E HA 0.374 4.724 4.350 0.000 0.000 0.276 445 E C -2.763 173.801 176.600 -0.060 0.000 1.031 445 E CA -2.245 54.121 56.400 -0.057 0.000 0.857 445 E CB 0.103 29.782 29.700 -0.036 0.000 1.040 445 E HN 0.203 nan 8.360 nan 0.000 0.408 446 P HA -0.042 nan 4.420 nan 0.000 0.268 446 P C -0.125 177.142 177.300 -0.055 0.000 1.208 446 P CA -0.511 62.551 63.100 -0.063 0.000 0.777 446 P CB 0.302 31.970 31.700 -0.054 0.000 0.875 447 L N 2.714 123.900 121.223 -0.062 0.000 2.525 447 L HA -0.009 4.332 4.340 0.000 0.000 0.278 447 L C 0.440 177.277 176.870 -0.055 0.000 1.218 447 L CA 0.598 55.402 54.840 -0.059 0.000 0.878 447 L CB -0.722 41.291 42.059 -0.078 0.000 1.127 447 L HN 0.301 nan 8.230 nan 0.000 0.492 448 D N 2.374 122.745 120.400 -0.048 0.000 2.339 448 D HA 0.061 4.701 4.640 0.000 0.000 0.241 448 D C 0.892 177.153 176.300 -0.066 0.000 1.183 448 D CA 0.201 54.172 54.000 -0.048 0.000 0.859 448 D CB 1.098 41.876 40.800 -0.037 0.000 1.067 448 D HN 0.654 nan 8.370 nan 0.000 0.484 449 T N 2.244 116.751 114.554 -0.077 0.000 3.055 449 T HA 0.257 4.607 4.350 0.000 0.000 0.265 449 T C 0.895 175.514 174.700 -0.134 0.000 1.111 449 T CA 0.948 62.982 62.100 -0.111 0.000 1.118 449 T CB -0.665 68.136 68.868 -0.112 0.000 0.909 449 T HN 0.792 nan 8.240 nan 0.000 0.501 453 A N 4.106 126.749 122.820 -0.295 0.000 2.450 453 A HA 0.429 4.749 4.320 0.000 0.000 0.255 453 A C 0.113 177.659 177.584 -0.063 0.000 1.096 453 A CA 0.848 52.790 52.037 -0.159 0.000 0.778 453 A CB 0.128 18.867 19.000 -0.435 0.000 1.031 453 A HN 0.249 nan 8.150 nan 0.000 0.494 454 D N 1.946 122.366 120.400 0.033 0.000 2.527 454 D HA 0.327 4.967 4.640 0.000 0.000 0.233 454 D C 0.306 176.632 176.300 0.043 0.000 1.063 454 D CA -0.705 53.306 54.000 0.018 0.000 0.880 454 D CB 1.159 41.985 40.800 0.043 0.000 1.457 454 D HN 0.166 nan 8.370 nan 0.000 0.475 455 L N 0.868 122.093 121.223 0.003 0.000 2.127 455 L HA -0.159 4.182 4.340 0.000 0.000 0.211 455 L C 1.924 178.865 176.870 0.117 0.000 1.089 455 L CA 1.528 56.387 54.840 0.032 0.000 0.757 455 L CB -0.617 41.418 42.059 -0.039 0.000 0.899 455 L HN 0.547 nan 8.230 nan 0.000 0.434 456 D N -1.191 119.258 120.400 0.081 0.000 2.144 456 D HA -0.161 4.479 4.640 0.000 0.000 0.199 456 D C 2.044 178.413 176.300 0.115 0.000 0.984 456 D CA 1.515 55.566 54.000 0.086 0.000 0.834 456 D CB 0.162 40.999 40.800 0.061 0.000 0.955 456 D HN 0.266 nan 8.370 nan 0.000 0.465 457 T N -0.771 113.861 114.554 0.130 0.000 2.701 457 T HA -0.166 4.184 4.350 0.000 0.000 0.263 457 T C 1.687 176.491 174.700 0.174 0.000 1.040 457 T CA 1.030 63.214 62.100 0.140 0.000 1.147 457 T CB -0.648 68.309 68.868 0.148 0.000 0.865 457 T HN 0.221 nan 8.240 nan 0.000 0.426 458 Y N 2.269 122.610 120.300 0.068 0.000 2.102 458 Y HA -0.269 4.281 4.550 0.000 0.000 0.280 458 Y C 2.723 178.694 175.900 0.118 0.000 1.178 458 Y CA 2.023 60.170 58.100 0.079 0.000 1.146 458 Y CB -0.170 38.312 38.460 0.037 0.000 0.968 458 Y HN 0.019 nan 8.280 nan 0.000 0.504 459 R N 0.182 120.832 120.500 0.250 0.000 2.066 459 R HA -0.183 4.157 4.340 0.000 0.000 0.232 459 R C 2.074 178.499 176.300 0.208 0.000 1.131 459 R CA 1.706 57.930 56.100 0.207 0.000 0.955 459 R CB -0.434 29.958 30.300 0.152 0.000 0.851 459 R HN 0.355 nan 8.270 nan 0.000 0.432 460 N N 0.823 119.609 118.700 0.143 0.000 2.060 460 N HA -0.212 4.528 4.740 0.000 0.000 0.195 460 N C 1.834 177.389 175.510 0.075 0.000 1.028 460 N CA 1.868 54.980 53.050 0.103 0.000 0.861 460 N CB -0.257 38.278 38.487 0.080 0.000 1.029 460 N HN 0.322 nan 8.380 nan 0.000 0.428 461 R N -0.542 119.993 120.500 0.058 0.000 2.066 461 R HA -0.124 4.216 4.340 0.000 0.000 0.232 461 R C 2.108 178.401 176.300 -0.012 0.000 1.131 461 R CA 1.323 57.427 56.100 0.005 0.000 0.955 461 R CB -0.535 29.755 30.300 -0.016 0.000 0.851 461 R HN 0.365 nan 8.270 nan 0.000 0.432 462 W N 2.026 123.202 121.300 -0.206 0.000 2.335 462 W HA -0.231 4.429 4.660 0.000 0.000 0.311 462 W C 1.999 178.432 176.519 -0.142 0.000 1.213 462 W CA 1.543 58.760 57.345 -0.213 0.000 1.274 462 W CB -0.200 29.118 29.460 -0.236 0.000 1.148 462 W HN 0.086 nan 8.180 nan 0.000 0.498 463 Q N -0.322 119.528 119.800 0.084 0.000 2.096 463 Q HA -0.225 4.115 4.340 0.000 0.000 0.204 463 Q C 2.407 178.297 176.000 -0.184 0.000 0.982 463 Q CA 2.065 57.818 55.803 -0.083 0.000 0.850 463 Q CB -0.631 28.178 28.738 0.118 0.000 0.901 463 Q HN 0.405 nan 8.270 nan 0.000 0.422 464 A N 0.825 123.578 122.820 -0.111 0.000 1.930 464 A HA -0.175 4.145 4.320 0.000 0.000 0.217 464 A C 1.863 179.347 177.584 -0.165 0.000 1.175 464 A CA 1.152 53.125 52.037 -0.106 0.000 0.627 464 A CB -0.240 18.726 19.000 -0.057 0.000 0.815 464 A HN 0.215 nan 8.150 nan 0.000 0.443 465 E N -0.050 120.018 120.200 -0.221 0.000 2.106 465 E HA -0.103 4.247 4.350 0.000 0.000 0.192 465 E C 2.188 178.587 176.600 -0.337 0.000 0.984 465 E CA 1.200 57.449 56.400 -0.251 0.000 0.806 465 E CB -0.542 29.004 29.700 -0.257 0.000 0.750 465 E HN 0.394 nan 8.360 nan 0.000 0.458 466 V N 1.403 121.006 119.914 -0.519 0.000 2.307 466 V HA -0.236 3.884 4.120 0.000 0.000 0.245 466 V C 2.487 178.394 176.094 -0.312 0.000 1.045 466 V CA 2.037 63.995 62.300 -0.570 0.000 1.024 466 V CB -0.391 30.841 31.823 -0.986 0.000 0.651 466 V HN 0.186 nan 8.190 nan 0.000 0.449 467 E N 0.808 120.867 120.200 -0.236 0.000 2.077 467 E HA -0.165 4.185 4.350 0.000 0.000 0.193 467 E C 2.106 178.643 176.600 -0.106 0.000 0.989 467 E CA 1.700 58.026 56.400 -0.123 0.000 0.800 467 E CB -0.540 29.110 29.700 -0.084 0.000 0.746 467 E HN 0.486 nan 8.360 nan 0.000 0.452 468 A N 0.835 123.582 122.820 -0.121 0.000 1.908 468 A HA -0.106 4.214 4.320 0.000 0.000 0.218 468 A C 2.452 179.979 177.584 -0.095 0.000 1.181 468 A CA 2.267 54.246 52.037 -0.096 0.000 0.627 468 A CB -1.067 17.875 19.000 -0.097 0.000 0.818 468 A HN 0.401 nan 8.150 nan 0.000 0.445 469 A N 0.617 123.363 122.820 -0.124 0.000 1.930 469 A HA -0.089 4.231 4.320 0.000 0.000 0.217 469 A C 1.571 179.106 177.584 -0.081 0.000 1.175 469 A CA 1.348 53.319 52.037 -0.110 0.000 0.627 469 A CB -0.526 18.388 19.000 -0.143 0.000 0.815 469 A HN 0.660 nan 8.150 nan 0.000 0.443 470 K N -0.081 120.275 120.400 -0.074 0.000 2.081 470 K HA 0.467 4.787 4.320 0.000 0.000 0.230 470 K C -0.341 176.234 176.600 -0.041 0.000 1.199 470 K CA 0.499 56.761 56.287 -0.043 0.000 1.130 470 K CB -1.047 31.442 32.500 -0.017 0.000 1.386 470 K HN 0.667 nan 8.250 nan 0.000 0.280 471 V N 0.000 119.888 119.914 -0.044 0.000 2.409 471 V HA 0.000 4.120 4.120 0.000 0.000 0.244 471 V CA 0.000 62.275 62.300 -0.042 0.000 1.235 471 V CB 0.000 31.797 31.823 -0.043 0.000 1.184 471 V HN 0.000 nan 8.190 nan 0.000 0.556