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 1q1b_1_B DATA FIRST_RESID 4 DATA SEQUENCE VQLQNVTKAW GEVVVSKDIN LDIHEGEFVV FVGPSGCGKS TLLRMIAGLE DATA SEQUENCE TITSGDLFIG EKRMNDTPPA ERGVGMVFQS YALYPHLSVA ENMSFGLKLA DATA SEQUENCE GAKKEVINQR VNQVAEVLQL AHLLDRKPKA LSGGQRQRVA IGRTLVAEPS DATA SEQUENCE VFLLDEPLSN LDAALRVQMR IEISRLHKRL GRTMIYVTHD QVEAMTLADK DATA SEQUENCE IVVLDAGRVA QVGKPLELYH YPADRFVAGF IGSPKMNFLP VKVTATAIDQ DATA SEQUENCE VQVELPMPNR QQVWLPVESR DVQVGANMSL GIRPEHLLPS DIADVILEGE DATA SEQUENCE VQVVEQLGNE TQIHIQIPSI RQNLVYRQND VVLVEEGATF AIGLPPERCH DATA SEQUENCE LFREDGTACR RLHKEPG 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.140 176.094 0.077 0.000 1.182 4 V CA 0.000 62.344 62.300 0.074 0.000 1.235 4 V CB 0.000 31.870 31.823 0.079 0.000 1.184 5 Q N 2.120 121.985 119.800 0.109 0.000 2.736 5 Q HA 0.714 5.054 4.340 0.000 0.000 0.273 5 Q C -2.664 173.427 176.000 0.151 0.000 0.948 5 Q CA -0.603 55.258 55.803 0.097 0.000 0.854 5 Q CB 2.170 30.922 28.738 0.023 0.000 1.569 5 Q HN 0.569 nan 8.270 nan 0.000 0.405 6 L N 1.065 122.358 121.223 0.117 0.000 2.230 6 L HA 0.700 5.040 4.340 0.000 0.000 0.255 6 L C -1.105 175.821 176.870 0.093 0.000 1.039 6 L CA -0.415 54.505 54.840 0.134 0.000 0.846 6 L CB 2.409 44.529 42.059 0.103 0.000 1.419 6 L HN 0.781 nan 8.230 nan 0.000 0.435 7 Q N -0.135 119.724 119.800 0.099 0.000 2.443 7 Q HA 0.269 4.609 4.340 0.000 0.000 0.258 7 Q C -0.769 175.265 176.000 0.056 0.000 0.967 7 Q CA -0.722 55.119 55.803 0.063 0.000 0.951 7 Q CB 1.490 30.270 28.738 0.069 0.000 1.459 7 Q HN 0.603 nan 8.270 nan 0.000 0.415 8 N N -0.740 117.977 118.700 0.027 0.000 2.608 8 N HA -0.192 4.548 4.740 0.000 0.000 0.246 8 N C -0.532 174.987 175.510 0.014 0.000 1.162 8 N CA 0.936 53.995 53.050 0.016 0.000 0.736 8 N CB -0.991 37.507 38.487 0.017 0.000 1.078 8 N HN 0.267 nan 8.380 nan 0.000 0.554 9 V N 0.283 120.208 119.914 0.020 0.000 2.509 9 V HA 0.004 4.124 4.120 0.000 0.000 0.297 9 V C 0.924 177.009 176.094 -0.014 0.000 1.014 9 V CA 0.604 62.911 62.300 0.011 0.000 1.127 9 V CB 0.577 32.412 31.823 0.020 0.000 0.925 9 V HN 0.224 nan 8.190 nan 0.000 0.480 10 T N 5.665 120.205 114.554 -0.023 0.000 2.812 10 T HA 0.550 4.900 4.350 0.000 0.000 0.282 10 T C -0.393 174.267 174.700 -0.066 0.000 0.990 10 T CA -0.778 61.296 62.100 -0.044 0.000 0.960 10 T CB 1.662 70.508 68.868 -0.036 0.000 0.948 10 T HN 0.671 nan 8.240 nan 0.000 0.438 11 K N 1.915 122.253 120.400 -0.103 0.000 2.316 11 K HA 0.920 5.240 4.320 0.000 0.000 0.251 11 K C -0.634 175.815 176.600 -0.251 0.000 0.934 11 K CA -0.459 55.732 56.287 -0.160 0.000 0.802 11 K CB 1.429 33.836 32.500 -0.156 0.000 1.171 11 K HN 0.719 nan 8.250 nan 0.000 0.426 12 A N 2.373 124.978 122.820 -0.358 0.000 4.422 12 A HA 0.395 4.715 4.320 0.000 0.000 0.098 12 A C -0.943 176.253 177.584 -0.646 0.000 1.323 12 A CA -0.164 51.563 52.037 -0.517 0.000 2.314 12 A CB -0.303 18.571 19.000 -0.210 0.000 2.799 12 A HN 0.613 nan 8.150 nan 0.000 1.229 13 W N -2.410 118.889 121.300 -0.001 0.000 3.826 13 W HA 0.421 5.081 4.660 0.000 0.000 0.176 13 W C 1.155 177.673 176.519 -0.002 0.000 1.041 13 W CA 0.958 58.302 57.345 -0.002 0.000 1.499 13 W CB 0.658 30.116 29.460 -0.002 0.000 0.617 13 W HN 1.521 nan 8.180 nan 0.000 0.918 14 G N -0.094 108.834 108.800 0.213 0.000 4.616 14 G HA2 0.032 3.992 3.960 0.000 0.000 0.214 14 G HA3 0.032 3.992 3.960 0.000 0.000 0.214 14 G C 0.360 175.312 174.900 0.087 0.000 0.653 14 G CA 0.732 45.906 45.100 0.123 0.000 0.816 14 G HN 0.158 nan 8.290 nan 0.000 0.601 15 E N -0.958 119.299 120.200 0.095 0.000 2.094 15 E HA 0.032 4.382 4.350 0.000 0.000 0.254 15 E C -0.459 176.176 176.600 0.059 0.000 1.086 15 E CA 0.197 56.635 56.400 0.063 0.000 1.741 15 E CB 0.051 29.788 29.700 0.062 0.000 3.572 15 E HN 0.038 nan 8.360 nan 0.000 0.995 16 V N 4.214 124.189 119.914 0.102 0.000 2.381 16 V HA 0.168 4.288 4.120 0.000 0.000 0.257 16 V C 0.440 176.549 176.094 0.026 0.000 1.057 16 V CA -0.137 62.218 62.300 0.091 0.000 1.013 16 V CB 0.554 32.478 31.823 0.168 0.000 1.069 16 V HN 0.137 nan 8.190 nan 0.000 0.484 17 V N 5.807 125.706 119.914 -0.025 0.000 3.051 17 V HA 0.179 4.299 4.120 0.000 0.000 0.306 17 V C 0.965 176.983 176.094 -0.127 0.000 1.083 17 V CA 0.573 62.820 62.300 -0.088 0.000 1.104 17 V CB 1.459 33.242 31.823 -0.067 0.000 1.027 17 V HN 0.801 nan 8.190 nan 0.000 0.483 18 V N -1.249 118.554 119.914 -0.185 0.000 3.440 18 V HA 0.517 4.637 4.120 0.000 0.000 0.301 18 V C 0.094 176.098 176.094 -0.150 0.000 1.555 18 V CA 0.092 62.280 62.300 -0.186 0.000 1.095 18 V CB 0.461 32.103 31.823 -0.303 0.000 0.936 18 V HN 0.743 nan 8.190 nan 0.000 0.452 19 S N 1.112 116.734 115.700 -0.131 0.000 2.277 19 S HA 0.457 4.927 4.470 0.000 0.000 0.230 19 S C -0.559 173.990 174.600 -0.086 0.000 0.893 19 S CA -0.858 57.281 58.200 -0.103 0.000 1.044 19 S CB 1.306 64.448 63.200 -0.097 0.000 1.252 19 S HN 0.449 nan 8.310 nan 0.000 0.393 20 K N 1.404 121.757 120.400 -0.080 0.000 2.143 20 K HA 0.199 4.519 4.320 0.000 0.000 0.239 20 K C 0.016 176.584 176.600 -0.053 0.000 1.048 20 K CA -0.406 55.842 56.287 -0.065 0.000 0.867 20 K CB 0.246 32.705 32.500 -0.068 0.000 1.088 20 K HN 0.442 nan 8.250 nan 0.000 0.510 21 D N 2.240 122.616 120.400 -0.041 0.000 2.483 21 D HA -0.037 4.603 4.640 0.000 0.000 0.261 21 D C 0.137 176.419 176.300 -0.030 0.000 1.318 21 D CA 0.386 54.369 54.000 -0.028 0.000 1.201 21 D CB -0.820 39.967 40.800 -0.021 0.000 1.127 21 D HN 0.363 nan 8.370 nan 0.000 0.519 22 I N -0.961 119.590 120.570 -0.032 0.000 2.519 22 I HA 0.211 4.381 4.170 0.000 0.000 0.287 22 I C -0.174 175.936 176.117 -0.013 0.000 1.047 22 I CA -0.517 60.762 61.300 -0.035 0.000 1.381 22 I CB 0.837 38.810 38.000 -0.046 0.000 1.417 22 I HN -0.172 nan 8.210 nan 0.000 0.540 23 N N 5.367 124.059 118.700 -0.013 0.000 2.571 23 N HA 0.362 5.102 4.740 0.000 0.000 0.298 23 N C -0.859 174.657 175.510 0.009 0.000 1.671 23 N CA -0.482 52.569 53.050 0.002 0.000 0.900 23 N CB 0.429 38.914 38.487 -0.003 0.000 1.365 23 N HN 0.476 nan 8.380 nan 0.000 0.493 24 L N 0.563 121.795 121.223 0.015 0.000 2.489 24 L HA 0.088 4.428 4.340 0.000 0.000 0.285 24 L C 0.728 177.633 176.870 0.057 0.000 1.259 24 L CA 0.980 55.841 54.840 0.035 0.000 0.828 24 L CB 0.317 42.409 42.059 0.054 0.000 1.094 24 L HN 0.281 nan 8.230 nan 0.000 0.524 25 D N 1.846 122.294 120.400 0.081 0.000 2.337 25 D HA 0.205 4.845 4.640 0.000 0.000 0.238 25 D C -1.102 175.286 176.300 0.146 0.000 1.331 25 D CA -0.279 53.768 54.000 0.078 0.000 0.967 25 D CB 0.537 41.376 40.800 0.064 0.000 1.382 25 D HN 0.340 nan 8.370 nan 0.000 0.549 26 I N 4.216 124.868 120.570 0.136 0.000 2.282 26 I HA 0.155 4.325 4.170 0.000 0.000 0.290 26 I C 0.529 176.748 176.117 0.171 0.000 1.090 26 I CA -0.580 60.832 61.300 0.187 0.000 1.231 26 I CB 0.222 38.328 38.000 0.176 0.000 1.434 26 I HN 0.243 nan 8.210 nan 0.000 0.487 27 H N 3.617 122.735 119.070 0.080 0.000 2.895 27 H HA 0.006 4.563 4.556 0.000 0.000 0.371 27 H C 0.338 175.717 175.328 0.084 0.000 1.219 27 H CA 0.259 56.350 56.048 0.072 0.000 1.431 27 H CB 0.444 30.247 29.762 0.067 0.000 1.414 27 H HN 0.542 nan 8.280 nan 0.000 0.617 28 E N -0.106 120.206 120.200 0.188 0.000 2.373 28 E HA 0.261 4.611 4.350 0.000 0.000 0.263 28 E C 0.807 177.507 176.600 0.167 0.000 1.073 28 E CA 0.300 56.787 56.400 0.145 0.000 0.894 28 E CB 0.300 30.061 29.700 0.101 0.000 1.008 28 E HN 0.819 nan 8.360 nan 0.000 0.420 29 G N 2.685 111.588 108.800 0.171 0.000 2.212 29 G HA2 -0.311 3.649 3.960 0.000 0.000 0.266 29 G HA3 -0.311 3.649 3.960 0.000 0.000 0.266 29 G C -0.080 175.007 174.900 0.312 0.000 0.978 29 G CA 0.494 45.716 45.100 0.204 0.000 0.632 29 G HN 0.596 nan 8.290 nan 0.000 0.537 30 E N -0.117 120.236 120.200 0.255 0.000 2.229 30 E HA 0.449 4.799 4.350 0.000 0.000 0.283 30 E C -0.772 175.961 176.600 0.221 0.000 1.030 30 E CA -0.874 55.681 56.400 0.259 0.000 0.836 30 E CB 0.735 30.562 29.700 0.212 0.000 1.068 30 E HN 0.100 nan 8.360 nan 0.000 0.401 31 F N 4.441 124.412 119.950 0.036 0.000 2.404 31 F HA 0.189 4.716 4.527 0.000 0.000 0.359 31 F C -0.624 175.172 175.800 -0.006 0.000 1.134 31 F CA -0.743 57.168 58.000 -0.149 0.000 1.160 31 F CB 0.407 39.175 39.000 -0.386 0.000 1.186 31 F HN 0.079 nan 8.300 nan 0.000 0.526 32 V N 6.726 126.876 119.914 0.393 0.000 2.459 32 V HA 0.507 4.627 4.120 0.000 0.000 0.295 32 V C -0.525 175.798 176.094 0.382 0.000 1.029 32 V CA -0.843 61.663 62.300 0.344 0.000 0.874 32 V CB 1.787 33.801 31.823 0.319 0.000 0.985 32 V HN 0.417 nan 8.190 nan 0.000 0.438 33 V N 4.964 125.089 119.914 0.352 0.000 2.555 33 V HA 0.529 4.649 4.120 0.000 0.000 0.302 33 V C -0.564 175.846 176.094 0.526 0.000 1.038 33 V CA -0.559 61.944 62.300 0.338 0.000 0.887 33 V CB 1.879 33.768 31.823 0.110 0.000 0.991 33 V HN 0.675 nan 8.190 nan 0.000 0.434 34 F N 3.989 123.996 119.950 0.094 0.000 2.436 34 F HA 0.742 5.269 4.527 0.000 0.000 0.340 34 F C 0.134 175.935 175.800 0.003 0.000 1.113 34 F CA -0.927 57.100 58.000 0.046 0.000 1.022 34 F CB 2.025 41.056 39.000 0.052 0.000 1.128 34 F HN 0.428 nan 8.300 nan 0.000 0.466 35 V N 0.498 120.467 119.914 0.091 0.000 3.130 35 V HA 1.089 5.209 4.120 0.000 0.000 0.310 35 V C -0.507 175.482 176.094 -0.174 0.000 1.158 35 V CA -0.814 61.474 62.300 -0.019 0.000 1.029 35 V CB 1.424 33.285 31.823 0.064 0.000 1.057 35 V HN 1.037 nan 8.190 nan 0.000 0.436 36 G N 0.897 109.521 108.800 -0.294 0.000 2.347 36 G HA2 0.485 4.445 3.960 0.000 0.000 0.303 36 G HA3 0.485 4.445 3.960 0.000 0.000 0.303 36 G C -3.435 171.441 174.900 -0.038 0.000 1.481 36 G CA -0.037 44.746 45.100 -0.527 0.000 0.914 36 G HN 0.810 nan 8.290 nan 0.000 0.638 37 P HA 0.140 nan 4.420 nan 0.000 0.291 37 P C 1.595 179.106 177.300 0.351 0.000 1.287 37 P CA 0.798 64.190 63.100 0.487 0.000 0.767 37 P CB 0.315 32.277 31.700 0.437 0.000 1.290 38 S N -0.262 115.598 115.700 0.266 0.000 2.555 38 S HA -0.191 4.279 4.470 0.000 0.000 0.267 38 S C 1.801 176.487 174.600 0.144 0.000 1.109 38 S CA 1.478 59.779 58.200 0.168 0.000 1.578 38 S CB -2.267 60.994 63.200 0.102 0.000 1.234 38 S HN 0.723 nan 8.310 nan 0.000 0.413 39 G N 0.373 109.230 108.800 0.095 0.000 3.471 39 G HA2 0.288 4.248 3.960 0.000 0.000 0.254 39 G HA3 0.288 4.248 3.960 0.000 0.000 0.254 39 G C 1.032 175.954 174.900 0.036 0.000 1.199 39 G CA 0.119 45.257 45.100 0.063 0.000 1.683 39 G HN 0.988 nan 8.290 nan 0.000 0.625 40 C N -1.962 117.365 119.300 0.044 0.000 2.481 40 C HA 0.429 4.889 4.460 0.000 0.000 0.275 40 C C 2.206 177.182 174.990 -0.023 0.000 1.419 40 C CA 0.240 59.250 59.018 -0.014 0.000 1.773 40 C CB -0.687 27.038 27.740 -0.025 0.000 1.862 40 C HN 1.187 nan 8.230 nan 0.000 0.530 41 G N 1.780 110.590 108.800 0.016 0.000 2.157 41 G HA2 -0.339 3.621 3.960 0.000 0.000 0.248 41 G HA3 -0.339 3.621 3.960 0.000 0.000 0.248 41 G C 0.854 175.783 174.900 0.049 0.000 0.979 41 G CA 0.654 45.762 45.100 0.012 0.000 0.650 41 G HN 0.814 nan 8.290 nan 0.000 0.529 42 K N 0.067 120.514 120.400 0.078 0.000 2.160 42 K HA -0.012 4.308 4.320 0.000 0.000 0.206 42 K C 2.228 178.965 176.600 0.229 0.000 1.047 42 K CA 1.881 58.272 56.287 0.173 0.000 0.930 42 K CB -0.343 32.259 32.500 0.171 0.000 0.720 42 K HN 0.268 nan 8.250 nan 0.000 0.450 43 S N 0.811 116.598 115.700 0.145 0.000 2.335 43 S HA -0.093 4.377 4.470 0.000 0.000 0.217 43 S C 1.930 176.579 174.600 0.081 0.000 1.032 43 S CA 1.645 59.910 58.200 0.109 0.000 0.985 43 S CB -0.437 62.817 63.200 0.090 0.000 0.896 43 S HN 0.471 nan 8.310 nan 0.000 0.445 44 T N 3.278 117.867 114.554 0.058 0.000 2.592 44 T HA -0.198 4.152 4.350 0.000 0.000 0.267 44 T C 1.749 176.475 174.700 0.045 0.000 1.060 44 T CA 1.653 63.770 62.100 0.029 0.000 1.167 44 T CB -0.768 68.094 68.868 -0.010 0.000 0.863 44 T HN 0.287 nan 8.240 nan 0.000 0.431 45 L N 0.423 121.693 121.223 0.078 0.000 2.137 45 L HA -0.156 4.184 4.340 0.000 0.000 0.213 45 L C 2.322 179.270 176.870 0.129 0.000 1.085 45 L CA 1.260 56.172 54.840 0.120 0.000 0.760 45 L CB -0.343 41.835 42.059 0.197 0.000 0.893 45 L HN 0.229 nan 8.230 nan 0.000 0.434 46 L N 0.265 121.551 121.223 0.105 0.000 1.955 46 L HA -0.253 4.087 4.340 0.000 0.000 0.213 46 L C 2.742 179.617 176.870 0.009 0.000 1.072 46 L CA 1.911 56.754 54.840 0.005 0.000 0.755 46 L CB -0.614 41.426 42.059 -0.033 0.000 0.888 46 L HN 0.207 nan 8.230 nan 0.000 0.432 47 R N -0.934 119.579 120.500 0.021 0.000 2.096 47 R HA -0.207 4.133 4.340 0.000 0.000 0.240 47 R C 2.220 178.530 176.300 0.017 0.000 1.139 47 R CA 1.999 58.111 56.100 0.020 0.000 0.952 47 R CB -0.715 29.599 30.300 0.023 0.000 0.854 47 R HN 0.416 nan 8.270 nan 0.000 0.436 48 M N 0.422 120.035 119.600 0.021 0.000 2.337 48 M HA -0.178 4.302 4.480 0.000 0.000 0.261 48 M C 2.023 178.334 176.300 0.018 0.000 1.067 48 M CA 1.544 56.853 55.300 0.015 0.000 1.074 48 M CB -0.344 32.265 32.600 0.015 0.000 1.395 48 M HN 0.194 nan 8.290 nan 0.000 0.431 49 I N -0.817 119.767 120.570 0.024 0.000 2.703 49 I HA -0.052 4.118 4.170 0.000 0.000 0.259 49 I C 2.033 178.150 176.117 -0.000 0.000 1.151 49 I CA 0.494 61.806 61.300 0.020 0.000 1.470 49 I CB -0.276 37.739 38.000 0.024 0.000 1.112 49 I HN 0.122 nan 8.210 nan 0.000 0.437 50 A N 0.462 123.279 122.820 -0.005 0.000 2.370 50 A HA 0.480 4.800 4.320 0.000 0.000 0.238 50 A C 1.757 179.339 177.584 -0.004 0.000 1.289 50 A CA 0.565 52.595 52.037 -0.011 0.000 0.885 50 A CB -0.757 18.235 19.000 -0.013 0.000 0.961 50 A HN 0.550 nan 8.150 nan 0.000 0.499 51 G N 0.046 108.845 108.800 -0.002 0.000 2.458 51 G HA2 -0.381 3.579 3.960 0.000 0.000 0.237 51 G HA3 -0.381 3.579 3.960 0.000 0.000 0.237 51 G C 1.075 175.981 174.900 0.009 0.000 1.113 51 G CA 0.476 45.576 45.100 -0.000 0.000 0.655 51 G HN 0.597 nan 8.290 nan 0.000 0.513 52 L N 0.349 121.581 121.223 0.016 0.000 2.588 52 L HA -0.046 4.295 4.340 0.000 0.000 0.229 52 L C 0.646 177.530 176.870 0.023 0.000 1.158 52 L CA 1.377 56.231 54.840 0.023 0.000 0.803 52 L CB -0.323 41.754 42.059 0.030 0.000 0.926 52 L HN 0.335 nan 8.230 nan 0.000 0.450 53 E N -0.820 119.390 120.200 0.017 0.000 2.308 53 E HA 0.248 4.598 4.350 0.000 0.000 0.275 53 E C -0.431 176.174 176.600 0.008 0.000 0.890 53 E CA -0.389 56.020 56.400 0.016 0.000 0.754 53 E CB 1.793 31.495 29.700 0.003 0.000 1.207 53 E HN -0.104 nan 8.360 nan 0.000 0.426 54 T N 0.251 114.814 114.554 0.015 0.000 2.779 54 T HA 0.402 4.752 4.350 0.000 0.000 0.296 54 T C 0.989 175.681 174.700 -0.013 0.000 0.938 54 T CA -0.348 61.757 62.100 0.010 0.000 1.119 54 T CB -0.046 68.841 68.868 0.033 0.000 0.891 54 T HN 0.308 nan 8.240 nan 0.000 0.526 55 I N 4.570 125.131 120.570 -0.015 0.000 2.311 55 I HA 0.068 4.238 4.170 0.000 0.000 0.297 55 I C 1.552 177.656 176.117 -0.022 0.000 1.131 55 I CA -0.500 60.785 61.300 -0.025 0.000 1.289 55 I CB 0.240 38.230 38.000 -0.016 0.000 1.446 55 I HN 0.835 nan 8.210 nan 0.000 0.524 56 T N 1.247 115.781 114.554 -0.034 0.000 3.928 56 T HA 0.148 4.498 4.350 0.000 0.000 0.247 56 T C 0.399 175.089 174.700 -0.017 0.000 0.955 56 T CA 0.093 62.180 62.100 -0.021 0.000 0.935 56 T CB -0.203 68.646 68.868 -0.031 0.000 1.180 56 T HN 0.667 nan 8.240 nan 0.000 0.660 57 S N -1.033 114.660 115.700 -0.012 0.000 2.694 57 S HA 0.423 4.893 4.470 0.000 0.000 0.287 57 S C 0.589 175.190 174.600 0.002 0.000 1.143 57 S CA 0.301 58.499 58.200 -0.004 0.000 1.264 57 S CB -0.435 62.761 63.200 -0.008 0.000 1.264 57 S HN 1.892 nan 8.310 nan 0.000 0.421 58 G N 1.267 110.074 108.800 0.013 0.000 2.595 58 G HA2 -0.077 3.883 3.960 0.000 0.000 0.382 58 G HA3 -0.077 3.883 3.960 0.000 0.000 0.382 58 G C -0.950 173.976 174.900 0.043 0.000 1.327 58 G CA 0.848 45.967 45.100 0.033 0.000 0.916 58 G HN 0.978 nan 8.290 nan 0.000 0.547 59 D N -1.045 119.408 120.400 0.089 0.000 2.645 59 D HA 0.530 5.170 4.640 0.000 0.000 0.228 59 D C -0.923 175.457 176.300 0.133 0.000 1.148 59 D CA -0.475 53.581 54.000 0.094 0.000 0.860 59 D CB 2.243 43.203 40.800 0.268 0.000 1.548 59 D HN 0.538 nan 8.370 nan 0.000 0.460 60 L N 0.976 122.190 121.223 -0.015 0.000 2.446 60 L HA 0.423 4.763 4.340 0.000 0.000 0.268 60 L C -1.795 175.032 176.870 -0.071 0.000 0.975 60 L CA -0.492 54.381 54.840 0.055 0.000 0.848 60 L CB 0.874 42.938 42.059 0.008 0.000 1.225 60 L HN 0.199 nan 8.230 nan 0.000 0.410 61 F N 6.134 126.085 119.950 0.002 0.000 2.560 61 F HA 0.422 4.949 4.527 0.000 0.000 0.338 61 F C 0.612 176.409 175.800 -0.004 0.000 1.201 61 F CA -0.660 57.339 58.000 -0.003 0.000 1.291 61 F CB -0.208 38.787 39.000 -0.008 0.000 1.627 61 F HN 0.312 nan 8.300 nan 0.000 0.588 62 I N 1.990 122.606 120.570 0.078 0.000 2.664 62 I HA 0.085 4.255 4.170 0.000 0.000 0.284 62 I C 1.424 177.571 176.117 0.050 0.000 1.154 62 I CA 0.844 62.176 61.300 0.053 0.000 1.402 62 I CB -0.099 37.906 38.000 0.008 0.000 1.395 62 I HN 0.784 nan 8.210 nan 0.000 0.545 63 G N 5.616 114.450 108.800 0.057 0.000 4.754 63 G HA2 -0.372 3.588 3.960 0.000 0.000 0.222 63 G HA3 -0.372 3.588 3.960 0.000 0.000 0.222 63 G C 0.765 175.705 174.900 0.066 0.000 1.377 63 G CA 0.851 45.978 45.100 0.045 0.000 0.942 63 G HN 0.587 nan 8.290 nan 0.000 0.671 64 E N -1.181 119.071 120.200 0.087 0.000 2.267 64 E HA 0.246 4.596 4.350 0.000 0.000 0.186 64 E C -0.188 176.504 176.600 0.152 0.000 0.954 64 E CA 0.533 57.009 56.400 0.125 0.000 1.414 64 E CB 0.461 30.204 29.700 0.072 0.000 2.698 64 E HN 0.461 nan 8.360 nan 0.000 0.927 65 K N 0.795 121.228 120.400 0.055 0.000 2.323 65 K HA 0.452 4.772 4.320 0.000 0.000 0.259 65 K C -0.541 175.955 176.600 -0.172 0.000 0.947 65 K CA -0.643 55.624 56.287 -0.033 0.000 0.819 65 K CB 1.723 34.205 32.500 -0.030 0.000 1.109 65 K HN -0.040 nan 8.250 nan 0.000 0.429 66 R N 2.158 122.416 120.500 -0.403 0.000 2.644 66 R HA -0.061 4.279 4.340 0.000 0.000 0.265 66 R C -0.201 175.942 176.300 -0.262 0.000 0.985 66 R CA 1.147 56.915 56.100 -0.553 0.000 1.097 66 R CB 0.293 30.245 30.300 -0.580 0.000 0.931 66 R HN 0.716 nan 8.270 nan 0.000 0.419 67 M N 3.595 123.068 119.600 -0.210 0.000 4.307 67 M HA 0.083 4.563 4.480 0.000 0.000 0.538 67 M C 0.044 176.292 176.300 -0.087 0.000 1.979 67 M CA -0.099 55.131 55.300 -0.117 0.000 0.596 67 M CB 0.599 33.150 32.600 -0.082 0.000 1.471 67 M HN 0.716 nan 8.290 nan 0.000 0.585 68 N N 0.670 119.312 118.700 -0.096 0.000 2.109 68 N HA -0.123 4.617 4.740 0.000 0.000 0.188 68 N C 0.653 176.137 175.510 -0.042 0.000 1.034 68 N CA 1.267 54.280 53.050 -0.061 0.000 0.846 68 N CB 0.249 38.700 38.487 -0.060 0.000 1.010 68 N HN 0.422 nan 8.380 nan 0.000 0.425 69 D N 0.738 121.110 120.400 -0.046 0.000 2.194 69 D HA -0.041 4.599 4.640 0.000 0.000 0.204 69 D C 0.311 176.593 176.300 -0.029 0.000 0.964 69 D CA 0.682 54.663 54.000 -0.032 0.000 0.846 69 D CB -0.342 40.439 40.800 -0.032 0.000 0.962 69 D HN 0.076 nan 8.370 nan 0.000 0.490 70 T N 4.341 118.871 114.554 -0.039 0.000 2.695 70 T HA 0.074 4.424 4.350 0.000 0.000 0.264 70 T C -2.230 172.456 174.700 -0.025 0.000 0.993 70 T CA -0.839 61.241 62.100 -0.034 0.000 1.248 70 T CB 0.449 69.291 68.868 -0.043 0.000 0.946 70 T HN -0.010 nan 8.240 nan 0.000 0.526 71 P HA -0.036 nan 4.420 nan 0.000 0.271 71 P C -1.679 175.615 177.300 -0.010 0.000 1.212 71 P CA -1.061 62.033 63.100 -0.009 0.000 0.788 71 P CB -0.066 31.631 31.700 -0.005 0.000 0.865 72 P HA -0.351 nan 4.420 nan 0.000 0.215 72 P C 1.179 178.474 177.300 -0.009 0.000 0.941 72 P CA 2.120 65.218 63.100 -0.003 0.000 0.989 72 P CB -0.686 31.020 31.700 0.009 0.000 0.613 73 A N -0.063 122.755 122.820 -0.003 0.000 1.913 73 A HA -0.318 4.002 4.320 0.000 0.000 0.236 73 A C 1.034 178.608 177.584 -0.017 0.000 1.760 73 A CA 2.609 54.642 52.037 -0.007 0.000 0.740 73 A CB -2.167 16.834 19.000 0.001 0.000 0.847 73 A HN 0.635 nan 8.150 nan 0.000 0.508 74 E N -1.058 119.133 120.200 -0.015 0.000 1.944 74 E HA 0.492 4.843 4.350 0.000 0.000 0.272 74 E C 0.236 176.821 176.600 -0.026 0.000 1.195 74 E CA -0.038 56.350 56.400 -0.020 0.000 0.926 74 E CB 0.634 30.325 29.700 -0.016 0.000 1.051 74 E HN 0.478 nan 8.360 nan 0.000 0.404 75 R N 2.299 122.780 120.500 -0.033 0.000 3.001 75 R HA 0.198 4.538 4.340 0.000 0.000 0.160 75 R C 0.883 177.157 176.300 -0.043 0.000 0.830 75 R CA 0.839 56.916 56.100 -0.037 0.000 1.363 75 R CB 0.793 31.071 30.300 -0.037 0.000 1.669 75 R HN 0.696 nan 8.270 nan 0.000 0.553 76 G N 0.801 109.569 108.800 -0.054 0.000 2.135 76 G HA2 -0.199 3.761 3.960 0.000 0.000 0.183 76 G HA3 -0.199 3.761 3.960 0.000 0.000 0.183 76 G C 0.028 174.872 174.900 -0.093 0.000 1.004 76 G CA 0.140 45.202 45.100 -0.064 0.000 0.677 76 G HN 0.569 nan 8.290 nan 0.000 0.512 77 V N -2.790 117.061 119.914 -0.105 0.000 3.770 77 V HA 1.107 5.227 4.120 0.000 0.000 0.288 77 V C 1.020 176.993 176.094 -0.202 0.000 1.291 77 V CA 0.414 62.627 62.300 -0.144 0.000 0.948 77 V CB 1.308 33.072 31.823 -0.097 0.000 1.269 77 V HN 1.301 nan 8.190 nan 0.000 0.469 78 G N -1.345 107.329 108.800 -0.209 0.000 3.420 78 G HA2 0.535 4.495 3.960 0.000 0.000 0.183 78 G HA3 0.535 4.495 3.960 0.000 0.000 0.183 78 G C -0.094 174.739 174.900 -0.112 0.000 1.315 78 G CA -0.201 44.773 45.100 -0.210 0.000 0.958 78 G HN 1.968 nan 8.290 nan 0.000 0.745 79 M N -0.128 119.428 119.600 -0.073 0.000 4.042 79 M HA -0.117 4.363 4.480 0.000 0.000 0.157 79 M C -1.811 174.397 176.300 -0.155 0.000 1.531 79 M CA -0.325 54.930 55.300 -0.075 0.000 1.095 79 M CB -1.112 31.439 32.600 -0.082 0.000 1.346 79 M HN 0.468 nan 8.290 nan 0.000 0.197 80 V N 8.594 128.429 119.914 -0.132 0.000 2.204 80 V HA 0.358 4.478 4.120 0.000 0.000 0.264 80 V C 0.455 176.400 176.094 -0.249 0.000 1.106 80 V CA -0.266 61.906 62.300 -0.213 0.000 0.947 80 V CB -0.774 31.068 31.823 0.032 0.000 1.164 80 V HN 0.688 nan 8.190 nan 0.000 0.461 81 F N 0.956 120.801 119.950 -0.176 0.000 2.711 81 F HA -0.005 4.522 4.527 0.000 0.000 0.299 81 F C 1.712 177.437 175.800 -0.125 0.000 1.110 81 F CA -0.231 57.664 58.000 -0.175 0.000 1.307 81 F CB -0.358 38.501 39.000 -0.235 0.000 1.028 81 F HN 0.410 nan 8.300 nan 0.000 0.643 82 Q N -0.122 119.813 119.800 0.225 0.000 1.880 82 Q HA -0.263 4.077 4.340 0.000 0.000 0.243 82 Q C 0.651 176.744 176.000 0.156 0.000 1.047 82 Q CA 2.345 58.219 55.803 0.119 0.000 0.893 82 Q CB -0.687 28.074 28.738 0.038 0.000 0.999 82 Q HN 0.696 nan 8.270 nan 0.000 0.419 83 S N -0.825 114.954 115.700 0.132 0.000 2.566 83 S HA 0.347 4.817 4.470 0.000 0.000 0.324 83 S C -1.292 173.457 174.600 0.248 0.000 1.081 83 S CA -0.644 57.645 58.200 0.148 0.000 1.105 83 S CB 0.176 63.410 63.200 0.055 0.000 0.981 83 S HN 0.271 nan 8.310 nan 0.000 0.464 84 Y N 3.046 123.520 120.300 0.291 0.000 2.314 84 Y HA 0.456 5.006 4.550 0.000 0.000 0.334 84 Y C 0.686 176.657 175.900 0.119 0.000 1.266 84 Y CA -0.288 58.039 58.100 0.378 0.000 1.391 84 Y CB 0.825 39.352 38.460 0.111 0.000 1.306 84 Y HN 0.742 nan 8.280 nan 0.000 0.558 85 A N 5.305 128.387 122.820 0.436 0.000 2.260 85 A HA 0.453 4.773 4.320 0.000 0.000 0.312 85 A C -0.608 176.878 177.584 -0.164 0.000 1.321 85 A CA -0.617 51.481 52.037 0.102 0.000 0.928 85 A CB -0.125 18.918 19.000 0.071 0.000 1.158 85 A HN 0.706 nan 8.150 nan 0.000 0.542 86 L N 1.126 122.234 121.223 -0.192 0.000 2.347 86 L HA 0.123 4.463 4.340 0.000 0.000 0.172 86 L C -0.210 176.304 176.870 -0.593 0.000 1.009 86 L CA 0.870 55.490 54.840 -0.366 0.000 0.974 86 L CB -0.235 41.760 42.059 -0.107 0.000 1.427 86 L HN 0.609 nan 8.230 nan 0.000 0.507 87 Y N -1.220 119.118 120.300 0.064 0.000 2.628 87 Y HA 0.297 4.847 4.550 0.000 0.000 0.354 87 Y C -1.848 174.096 175.900 0.073 0.000 1.061 87 Y CA -2.178 55.964 58.100 0.071 0.000 1.251 87 Y CB 0.344 38.753 38.460 -0.085 0.000 1.098 87 Y HN 0.348 nan 8.280 nan 0.000 0.626 88 P HA -0.324 nan 4.420 nan 0.000 0.220 88 P C 1.499 178.940 177.300 0.235 0.000 1.155 88 P CA 2.493 65.722 63.100 0.215 0.000 0.880 88 P CB 0.201 32.016 31.700 0.193 0.000 0.790 89 H N -1.237 117.906 119.070 0.122 0.000 2.265 89 H HA 0.020 4.576 4.556 0.000 0.000 0.305 89 H C 0.814 176.198 175.328 0.093 0.000 1.054 89 H CA 0.307 56.409 56.048 0.091 0.000 1.296 89 H CB -1.493 28.316 29.762 0.077 0.000 1.395 89 H HN -0.046 nan 8.280 nan 0.000 0.502 90 L N 3.333 124.243 121.223 -0.521 0.000 2.737 90 L HA -0.086 4.254 4.340 0.000 0.000 0.275 90 L C 0.529 177.350 176.870 -0.081 0.000 1.179 90 L CA 0.668 55.341 54.840 -0.278 0.000 0.970 90 L CB -0.266 41.576 42.059 -0.361 0.000 1.268 90 L HN 0.303 nan 8.230 nan 0.000 0.485 91 S N 2.310 117.987 115.700 -0.038 0.000 2.592 91 S HA 0.004 4.474 4.470 0.000 0.000 0.256 91 S C 1.550 176.146 174.600 -0.007 0.000 1.369 91 S CA -0.655 57.540 58.200 -0.008 0.000 0.984 91 S CB 0.680 63.875 63.200 -0.008 0.000 0.919 91 S HN 0.458 nan 8.310 nan 0.000 0.576 92 V N 1.316 121.233 119.914 0.005 0.000 2.867 92 V HA -0.172 3.948 4.120 0.000 0.000 0.260 92 V C 2.214 178.295 176.094 -0.021 0.000 1.099 92 V CA 1.801 64.104 62.300 0.005 0.000 1.122 92 V CB -1.335 30.494 31.823 0.010 0.000 0.708 92 V HN 0.929 nan 8.190 nan 0.000 0.490 93 A N -0.645 122.155 122.820 -0.034 0.000 2.168 93 A HA -0.052 4.268 4.320 0.000 0.000 0.215 93 A C 1.492 179.018 177.584 -0.096 0.000 1.152 93 A CA 0.903 52.907 52.037 -0.055 0.000 0.716 93 A CB -0.096 18.876 19.000 -0.047 0.000 0.794 93 A HN 0.506 nan 8.150 nan 0.000 0.465 94 E N 0.851 120.990 120.200 -0.102 0.000 3.167 94 E HA 0.215 4.565 4.350 0.000 0.000 0.210 94 E C -0.975 175.537 176.600 -0.148 0.000 1.004 94 E CA -0.167 56.120 56.400 -0.187 0.000 1.256 94 E CB 0.014 29.608 29.700 -0.176 0.000 1.193 94 E HN 0.458 nan 8.360 nan 0.000 0.448 95 N N 0.418 119.073 118.700 -0.075 0.000 2.571 95 N HA 0.382 5.122 4.740 0.000 0.000 0.273 95 N C 0.118 175.640 175.510 0.020 0.000 1.340 95 N CA -0.712 52.388 53.050 0.083 0.000 0.789 95 N CB 1.317 39.867 38.487 0.105 0.000 1.514 95 N HN 0.018 nan 8.380 nan 0.000 0.499 96 M N 0.529 120.189 119.600 0.099 0.000 2.573 96 M HA -0.275 4.205 4.480 0.000 0.000 0.184 96 M C -0.100 176.211 176.300 0.018 0.000 0.953 96 M CA 0.645 55.971 55.300 0.042 0.000 0.592 96 M CB -1.315 31.287 32.600 0.004 0.000 1.151 96 M HN 0.721 nan 8.290 nan 0.000 0.850 97 S N -1.221 114.530 115.700 0.084 0.000 4.953 97 S HA 0.596 5.066 4.470 0.000 0.000 0.205 97 S C 0.405 175.106 174.600 0.169 0.000 1.226 97 S CA 0.515 58.711 58.200 -0.008 0.000 0.993 97 S CB 0.207 63.273 63.200 -0.222 0.000 2.001 97 S HN 0.746 nan 8.310 nan 0.000 0.552 98 F N 0.421 120.345 119.950 -0.043 0.000 2.583 98 F HA -0.178 4.349 4.527 0.000 0.000 0.659 98 F C 1.083 176.862 175.800 -0.034 0.000 0.489 98 F CA 1.518 59.492 58.000 -0.044 0.000 0.707 98 F CB -1.768 37.211 39.000 -0.036 0.000 1.607 98 F HN 0.651 nan 8.300 nan 0.000 0.260 99 G N 0.276 109.185 108.800 0.182 0.000 2.325 99 G HA2 0.502 4.462 3.960 0.000 0.000 0.298 99 G HA3 0.502 4.462 3.960 0.000 0.000 0.298 99 G C 0.231 175.151 174.900 0.034 0.000 1.134 99 G CA 0.296 45.444 45.100 0.080 0.000 0.876 99 G HN 0.833 nan 8.290 nan 0.000 0.452 100 L N -0.000 121.230 121.223 0.012 0.000 4.021 100 L HA -0.170 4.170 4.340 0.000 0.000 0.400 100 L C 1.405 178.262 176.870 -0.021 0.000 1.180 100 L CA 0.977 55.815 54.840 -0.004 0.000 0.904 100 L CB -0.695 41.364 42.059 -0.001 0.000 2.111 100 L HN 0.786 nan 8.230 nan 0.000 0.722 101 K N -0.542 119.844 120.400 -0.024 0.000 2.509 101 K HA 0.246 4.566 4.320 0.000 0.000 0.205 101 K C 1.588 178.164 176.600 -0.039 0.000 1.336 101 K CA -0.033 56.223 56.287 -0.052 0.000 0.912 101 K CB 0.121 32.566 32.500 -0.092 0.000 1.568 101 K HN 0.339 nan 8.250 nan 0.000 0.475 102 L N 1.542 122.752 121.223 -0.021 0.000 2.450 102 L HA -0.022 4.318 4.340 0.000 0.000 0.224 102 L C 1.118 177.980 176.870 -0.014 0.000 1.149 102 L CA 0.660 55.491 54.840 -0.015 0.000 0.816 102 L CB -0.221 41.837 42.059 -0.001 0.000 0.932 102 L HN 0.269 nan 8.230 nan 0.000 0.449 103 A N -1.208 121.603 122.820 -0.014 0.000 3.434 103 A HA 0.733 5.053 4.320 0.000 0.000 0.247 103 A C 0.119 177.694 177.584 -0.015 0.000 1.075 103 A CA 0.067 52.096 52.037 -0.012 0.000 0.737 103 A CB 0.126 19.121 19.000 -0.008 0.000 1.412 103 A HN 0.150 nan 8.150 nan 0.000 0.691 104 G N -1.347 107.446 108.800 -0.011 0.000 3.138 104 G HA2 0.401 4.361 3.960 0.000 0.000 0.685 104 G HA3 0.401 4.361 3.960 0.000 0.000 0.685 104 G C 0.370 175.263 174.900 -0.012 0.000 0.995 104 G CA 0.041 45.134 45.100 -0.011 0.000 0.849 104 G HN 2.331 nan 8.290 nan 0.000 0.537 105 A N 3.542 126.356 122.820 -0.010 0.000 2.572 105 A HA 0.366 4.686 4.320 0.000 0.000 0.256 105 A C 1.892 179.469 177.584 -0.013 0.000 1.041 105 A CA 1.679 53.710 52.037 -0.010 0.000 0.790 105 A CB 0.113 19.109 19.000 -0.007 0.000 0.947 105 A HN 1.309 nan 8.150 nan 0.000 0.518 106 K N 1.748 122.139 120.400 -0.014 0.000 2.303 106 K HA -0.307 4.013 4.320 0.000 0.000 0.196 106 K C 1.358 177.946 176.600 -0.020 0.000 0.688 106 K CA 2.663 58.939 56.287 -0.017 0.000 1.007 106 K CB -0.643 31.848 32.500 -0.015 0.000 0.582 106 K HN 0.850 nan 8.250 nan 0.000 0.876 107 K N 1.129 121.518 120.400 -0.017 0.000 2.372 107 K HA 0.013 4.333 4.320 0.000 0.000 0.200 107 K C 0.145 176.736 176.600 -0.015 0.000 1.022 107 K CA 0.200 56.476 56.287 -0.019 0.000 1.125 107 K CB 0.403 32.893 32.500 -0.017 0.000 0.855 107 K HN 0.084 nan 8.250 nan 0.000 0.524 108 E N 0.244 120.436 120.200 -0.013 0.000 2.349 108 E HA -0.003 4.347 4.350 0.000 0.000 0.201 108 E C 0.679 177.274 176.600 -0.009 0.000 1.087 108 E CA -0.056 56.339 56.400 -0.009 0.000 1.128 108 E CB 0.908 30.604 29.700 -0.006 0.000 1.188 108 E HN 0.271 nan 8.360 nan 0.000 0.445 109 V N -3.694 116.212 119.914 -0.014 0.000 3.159 109 V HA 0.280 4.400 4.120 0.000 0.000 0.234 109 V C 1.264 177.348 176.094 -0.018 0.000 1.313 109 V CA 0.150 62.441 62.300 -0.014 0.000 1.271 109 V CB 0.028 31.839 31.823 -0.019 0.000 1.053 109 V HN 0.150 nan 8.190 nan 0.000 0.476 110 I N 0.762 121.316 120.570 -0.026 0.000 4.025 110 I HA 0.357 4.527 4.170 0.000 0.000 0.336 110 I C 1.369 177.471 176.117 -0.026 0.000 1.390 110 I CA 0.283 61.564 61.300 -0.031 0.000 1.099 110 I CB 0.064 38.035 38.000 -0.050 0.000 1.049 110 I HN 0.273 nan 8.210 nan 0.000 0.394 111 N N 0.256 118.944 118.700 -0.019 0.000 2.545 111 N HA -0.051 4.689 4.740 0.000 0.000 0.190 111 N C 1.718 177.221 175.510 -0.011 0.000 1.043 111 N CA 0.495 53.535 53.050 -0.016 0.000 0.879 111 N CB 0.302 38.780 38.487 -0.015 0.000 1.210 111 N HN 0.116 nan 8.380 nan 0.000 0.437 112 Q N 0.778 120.574 119.800 -0.007 0.000 2.252 112 Q HA 0.264 4.604 4.340 0.000 0.000 0.195 112 Q C 1.760 177.761 176.000 0.003 0.000 0.974 112 Q CA 1.190 56.992 55.803 -0.002 0.000 0.846 112 Q CB 0.064 28.802 28.738 0.001 0.000 0.943 112 Q HN 0.050 nan 8.270 nan 0.000 0.516 113 R N -0.319 120.184 120.500 0.006 0.000 2.075 113 R HA -0.076 4.264 4.340 0.000 0.000 0.230 113 R C 2.306 178.613 176.300 0.012 0.000 1.140 113 R CA 1.742 57.850 56.100 0.015 0.000 0.928 113 R CB -0.765 29.546 30.300 0.017 0.000 0.834 113 R HN 0.164 nan 8.270 nan 0.000 0.429 114 V N 1.586 121.501 119.914 0.002 0.000 2.216 114 V HA -0.211 3.909 4.120 0.000 0.000 0.243 114 V C 0.434 176.524 176.094 -0.006 0.000 1.044 114 V CA 1.532 63.830 62.300 -0.003 0.000 0.995 114 V CB -0.660 31.153 31.823 -0.018 0.000 0.633 114 V HN 0.352 nan 8.190 nan 0.000 0.446 115 N N 1.105 119.797 118.700 -0.012 0.000 2.410 115 N HA 0.113 4.853 4.740 0.000 0.000 0.281 115 N C 0.685 176.189 175.510 -0.010 0.000 1.241 115 N CA 0.246 53.287 53.050 -0.014 0.000 0.998 115 N CB 0.437 38.913 38.487 -0.018 0.000 1.376 115 N HN 0.365 nan 8.380 nan 0.000 0.490 116 Q N 0.707 120.502 119.800 -0.008 0.000 1.654 116 Q HA 0.028 4.368 4.340 0.000 0.000 0.164 116 Q C 0.979 176.977 176.000 -0.004 0.000 0.649 116 Q CA 0.307 56.107 55.803 -0.004 0.000 0.708 116 Q CB 0.069 28.809 28.738 0.002 0.000 1.177 116 Q HN 0.342 nan 8.270 nan 0.000 0.367 117 V N 1.478 121.392 119.914 -0.001 0.000 2.453 117 V HA 0.019 4.139 4.120 0.000 0.000 0.247 117 V C 1.888 177.979 176.094 -0.006 0.000 1.048 117 V CA 1.790 64.090 62.300 0.001 0.000 1.049 117 V CB -0.675 31.152 31.823 0.006 0.000 0.672 117 V HN 0.339 nan 8.190 nan 0.000 0.457 118 A N -0.296 122.515 122.820 -0.014 0.000 2.223 118 A HA 0.013 4.333 4.320 0.000 0.000 0.222 118 A C 1.784 179.345 177.584 -0.038 0.000 1.317 118 A CA 0.804 52.825 52.037 -0.027 0.000 0.985 118 A CB -0.474 18.504 19.000 -0.036 0.000 0.858 118 A HN 0.526 nan 8.150 nan 0.000 0.496 119 E N -0.393 119.793 120.200 -0.024 0.000 2.052 119 E HA -0.026 4.324 4.350 0.000 0.000 0.192 119 E C 1.383 177.972 176.600 -0.019 0.000 0.958 119 E CA 1.480 57.866 56.400 -0.024 0.000 0.835 119 E CB -0.024 29.669 29.700 -0.012 0.000 0.811 119 E HN 0.485 nan 8.360 nan 0.000 0.462 120 V N 0.406 120.316 119.914 -0.006 0.000 3.292 120 V HA 0.324 4.444 4.120 0.000 0.000 0.372 120 V C 0.529 176.626 176.094 0.006 0.000 1.249 120 V CA 0.290 62.591 62.300 0.002 0.000 1.378 120 V CB -0.607 31.221 31.823 0.010 0.000 1.245 120 V HN 0.204 nan 8.190 nan 0.000 0.467 121 L N -0.035 121.187 121.223 -0.003 0.000 3.519 121 L HA 0.350 4.690 4.340 0.000 0.000 0.323 121 L C 1.114 177.984 176.870 0.001 0.000 1.289 121 L CA 0.080 54.923 54.840 0.005 0.000 1.039 121 L CB 0.501 42.564 42.059 0.007 0.000 1.438 121 L HN 0.545 nan 8.230 nan 0.000 0.619 122 Q N -0.003 119.788 119.800 -0.014 0.000 2.258 122 Q HA -0.237 4.103 4.340 0.000 0.000 0.167 122 Q C 0.069 175.959 176.000 -0.184 0.000 0.586 122 Q CA 1.190 56.980 55.803 -0.022 0.000 1.398 122 Q CB -1.338 27.449 28.738 0.081 0.000 1.415 122 Q HN 0.464 nan 8.270 nan 0.000 0.903 123 L N -0.445 120.696 121.223 -0.136 0.000 2.578 123 L HA 0.140 4.480 4.340 0.000 0.000 0.279 123 L C 1.140 177.844 176.870 -0.277 0.000 1.227 123 L CA 1.211 55.944 54.840 -0.179 0.000 0.900 123 L CB 0.234 42.246 42.059 -0.078 0.000 1.144 123 L HN 0.445 nan 8.230 nan 0.000 0.496 124 A N 1.498 124.098 122.820 -0.366 0.000 2.415 124 A HA -0.040 4.280 4.320 0.000 0.000 0.219 124 A C 1.036 178.494 177.584 -0.211 0.000 2.885 124 A CA -0.400 51.467 52.037 -0.284 0.000 1.556 124 A CB -0.519 18.299 19.000 -0.302 0.000 0.194 124 A HN 0.770 nan 8.150 nan 0.000 0.541 125 H N 0.328 119.401 119.070 0.005 0.000 2.553 125 H HA 0.378 4.934 4.556 0.000 0.000 0.265 125 H C 1.015 176.347 175.328 0.006 0.000 0.964 125 H CA 0.984 57.035 56.048 0.005 0.000 1.156 125 H CB 0.206 29.972 29.762 0.006 0.000 1.411 125 H HN 0.487 nan 8.280 nan 0.000 0.558 126 L N 0.567 121.825 121.223 0.058 0.000 3.168 126 L HA 0.191 4.531 4.340 0.000 0.000 0.277 126 L C 1.817 178.693 176.870 0.010 0.000 1.245 126 L CA -0.030 54.834 54.840 0.040 0.000 1.035 126 L CB 0.583 42.665 42.059 0.038 0.000 1.399 126 L HN 0.042 nan 8.230 nan 0.000 0.580 127 L N 0.453 121.674 121.223 -0.002 0.000 2.034 127 L HA -0.277 4.063 4.340 0.000 0.000 0.217 127 L C 1.342 178.206 176.870 -0.009 0.000 1.077 127 L CA 1.890 56.722 54.840 -0.013 0.000 0.769 127 L CB 0.167 42.218 42.059 -0.014 0.000 0.890 127 L HN 0.535 nan 8.230 nan 0.000 0.435 128 D N -2.976 117.424 120.400 -0.001 0.000 2.345 128 D HA 0.027 4.667 4.640 0.000 0.000 0.290 128 D C 0.387 176.690 176.300 0.005 0.000 1.107 128 D CA -0.254 53.743 54.000 -0.004 0.000 0.836 128 D CB 0.365 41.159 40.800 -0.010 0.000 1.406 128 D HN 0.137 nan 8.370 nan 0.000 0.532 129 R N 2.408 122.917 120.500 0.014 0.000 2.485 129 R HA -0.057 4.283 4.340 0.000 0.000 0.304 129 R C -0.389 175.925 176.300 0.022 0.000 0.934 129 R CA 0.052 56.164 56.100 0.020 0.000 1.102 129 R CB 0.254 30.571 30.300 0.028 0.000 0.906 129 R HN -0.352 nan 8.270 nan 0.000 0.407 130 K N 7.364 127.777 120.400 0.022 0.000 2.477 130 K HA -0.072 4.248 4.320 0.000 0.000 0.275 130 K C -1.570 175.050 176.600 0.033 0.000 1.054 130 K CA -0.441 55.863 56.287 0.028 0.000 1.135 130 K CB 0.281 32.800 32.500 0.032 0.000 0.854 130 K HN 0.485 nan 8.250 nan 0.000 0.484 131 P HA -0.140 nan 4.420 nan 0.000 0.221 131 P C -0.178 177.146 177.300 0.040 0.000 1.155 131 P CA 0.544 63.666 63.100 0.037 0.000 0.812 131 P CB 0.262 31.983 31.700 0.036 0.000 0.801 132 K N 2.248 122.678 120.400 0.049 0.000 2.323 132 K HA 0.077 4.397 4.320 0.000 0.000 0.262 132 K C 0.209 176.835 176.600 0.044 0.000 1.238 132 K CA 0.787 57.107 56.287 0.055 0.000 1.249 132 K CB -1.995 30.548 32.500 0.071 0.000 0.805 132 K HN 0.333 nan 8.250 nan 0.000 0.489 133 A N 4.038 126.881 122.820 0.038 0.000 2.734 133 A HA -0.188 4.132 4.320 0.000 0.000 0.294 133 A C 0.358 177.959 177.584 0.028 0.000 1.455 133 A CA 0.981 53.037 52.037 0.031 0.000 0.730 133 A CB -1.979 17.039 19.000 0.030 0.000 1.077 133 A HN 0.661 nan 8.150 nan 0.000 0.448 134 L N -0.715 120.525 121.223 0.028 0.000 2.255 134 L HA 0.257 4.597 4.340 0.000 0.000 0.196 134 L C 1.419 178.303 176.870 0.023 0.000 1.202 134 L CA 1.170 56.026 54.840 0.026 0.000 0.819 134 L CB -0.084 41.994 42.059 0.030 0.000 1.006 134 L HN 0.563 nan 8.230 nan 0.000 0.480 135 S N -1.509 114.205 115.700 0.024 0.000 2.704 135 S HA 0.419 4.889 4.470 0.000 0.000 0.296 135 S C 0.273 174.886 174.600 0.021 0.000 1.138 135 S CA -0.261 57.952 58.200 0.021 0.000 0.875 135 S CB 1.621 64.834 63.200 0.022 0.000 1.151 135 S HN 0.326 nan 8.310 nan 0.000 0.500 136 G N -0.094 108.718 108.800 0.019 0.000 3.352 136 G HA2 0.425 4.385 3.960 0.000 0.000 0.236 136 G HA3 0.425 4.385 3.960 0.000 0.000 0.236 136 G C 0.621 175.534 174.900 0.021 0.000 1.324 136 G CA 0.198 45.309 45.100 0.018 0.000 1.404 136 G HN 1.199 nan 8.290 nan 0.000 0.542 137 G N -0.942 107.873 108.800 0.025 0.000 3.198 137 G HA2 0.014 3.974 3.960 0.000 0.000 0.228 137 G HA3 0.014 3.974 3.960 0.000 0.000 0.228 137 G C 0.221 175.141 174.900 0.033 0.000 1.499 137 G CA 0.130 45.247 45.100 0.029 0.000 1.104 137 G HN 0.289 nan 8.290 nan 0.000 0.563 138 Q N 0.046 119.866 119.800 0.033 0.000 2.316 138 Q HA 0.309 4.649 4.340 0.000 0.000 0.235 138 Q C 2.207 178.229 176.000 0.036 0.000 0.863 138 Q CA 0.333 56.158 55.803 0.038 0.000 0.939 138 Q CB 0.159 28.921 28.738 0.039 0.000 1.108 138 Q HN 0.411 nan 8.270 nan 0.000 0.522 139 R N -0.412 120.108 120.500 0.033 0.000 2.310 139 R HA 0.047 4.387 4.340 0.000 0.000 0.202 139 R C 1.366 177.685 176.300 0.033 0.000 0.933 139 R CA 0.373 56.491 56.100 0.031 0.000 1.054 139 R CB 0.345 30.662 30.300 0.029 0.000 0.985 139 R HN 0.196 nan 8.270 nan 0.000 0.489 140 Q N 1.204 121.027 119.800 0.038 0.000 2.079 140 Q HA -0.101 4.239 4.340 0.000 0.000 0.200 140 Q C 1.599 177.625 176.000 0.042 0.000 0.974 140 Q CA 1.576 57.407 55.803 0.047 0.000 0.840 140 Q CB 0.141 28.907 28.738 0.046 0.000 0.898 140 Q HN 0.016 nan 8.270 nan 0.000 0.430 141 R N -1.304 119.216 120.500 0.034 0.000 2.152 141 R HA 0.004 4.344 4.340 0.000 0.000 0.232 141 R C 0.912 177.223 176.300 0.017 0.000 1.117 141 R CA 0.948 57.063 56.100 0.025 0.000 0.981 141 R CB 0.030 30.343 30.300 0.022 0.000 0.870 141 R HN 0.057 nan 8.270 nan 0.000 0.451 142 V N -0.447 119.478 119.914 0.018 0.000 3.039 142 V HA 0.379 4.499 4.120 0.000 0.000 0.369 142 V C 0.512 176.600 176.094 -0.010 0.000 1.344 142 V CA 0.524 62.830 62.300 0.010 0.000 1.270 142 V CB 0.238 32.074 31.823 0.021 0.000 1.284 142 V HN 0.325 nan 8.190 nan 0.000 0.518 143 A N -0.066 122.750 122.820 -0.006 0.000 1.949 143 A HA 0.372 4.692 4.320 0.000 0.000 0.200 143 A C 1.621 179.196 177.584 -0.015 0.000 1.832 143 A CA 0.281 52.314 52.037 -0.006 0.000 1.004 143 A CB -0.034 19.013 19.000 0.079 0.000 1.102 143 A HN 0.255 nan 8.150 nan 0.000 0.595 144 I N 0.681 121.301 120.570 0.083 0.000 2.133 144 I HA -0.117 4.053 4.170 0.000 0.000 0.238 144 I C 2.487 178.613 176.117 0.015 0.000 1.074 144 I CA 1.357 62.735 61.300 0.131 0.000 1.342 144 I CB -0.508 37.563 38.000 0.118 0.000 1.053 144 I HN 0.403 nan 8.210 nan 0.000 0.404 145 G N 0.557 109.358 108.800 0.001 0.000 2.687 145 G HA2 -0.259 3.701 3.960 0.000 0.000 0.209 145 G HA3 -0.259 3.701 3.960 0.000 0.000 0.209 145 G C 1.594 176.472 174.900 -0.036 0.000 1.146 145 G CA 0.169 45.266 45.100 -0.006 0.000 0.787 145 G HN 0.331 nan 8.290 nan 0.000 0.532 146 R N 0.182 120.608 120.500 -0.124 0.000 2.249 146 R HA -0.078 4.262 4.340 0.000 0.000 0.230 146 R C 0.914 177.176 176.300 -0.063 0.000 1.121 146 R CA 1.696 57.718 56.100 -0.129 0.000 0.997 146 R CB 0.012 30.063 30.300 -0.415 0.000 0.867 146 R HN 0.365 nan 8.270 nan 0.000 0.465 147 T N -2.473 112.039 114.554 -0.069 0.000 3.403 147 T HA 0.150 4.500 4.350 0.000 0.000 0.308 147 T C 0.573 175.295 174.700 0.038 0.000 0.952 147 T CA -0.519 61.578 62.100 -0.005 0.000 0.970 147 T CB 0.261 69.122 68.868 -0.011 0.000 1.189 147 T HN -0.030 nan 8.240 nan 0.000 0.528 148 L N 2.820 124.068 121.223 0.041 0.000 2.642 148 L HA 0.159 4.499 4.340 0.000 0.000 0.236 148 L C 0.434 177.372 176.870 0.113 0.000 1.169 148 L CA 0.803 55.691 54.840 0.079 0.000 0.851 148 L CB -0.296 41.790 42.059 0.044 0.000 0.968 148 L HN 0.511 nan 8.230 nan 0.000 0.453 149 V N -4.679 115.289 119.914 0.090 0.000 2.610 149 V HA 0.838 4.958 4.120 0.000 0.000 0.288 149 V C -0.008 176.120 176.094 0.056 0.000 1.055 149 V CA -0.022 62.334 62.300 0.093 0.000 0.902 149 V CB 0.685 32.543 31.823 0.058 0.000 1.030 149 V HN -0.121 nan 8.190 nan 0.000 0.448 150 A N 2.506 125.356 122.820 0.051 0.000 2.691 150 A HA 0.408 4.728 4.320 0.000 0.000 0.185 150 A C 0.593 178.161 177.584 -0.027 0.000 1.435 150 A CA 0.447 52.482 52.037 -0.003 0.000 1.075 150 A CB -0.095 18.884 19.000 -0.035 0.000 1.297 150 A HN 1.225 nan 8.150 nan 0.000 0.502 151 E N 0.599 120.807 120.200 0.013 0.000 2.269 151 E HA -0.161 4.189 4.350 0.000 0.000 0.223 151 E C -1.882 174.626 176.600 -0.154 0.000 1.244 151 E CA 0.512 56.927 56.400 0.026 0.000 0.713 151 E CB -1.492 28.257 29.700 0.082 0.000 1.178 151 E HN 0.691 nan 8.360 nan 0.000 0.370 152 P HA -0.086 nan 4.420 nan 0.000 0.285 152 P C 0.786 177.914 177.300 -0.287 0.000 1.282 152 P CA 0.005 62.911 63.100 -0.325 0.000 0.778 152 P CB 0.669 32.124 31.700 -0.408 0.000 1.222 153 S N -1.271 114.313 115.700 -0.193 0.000 2.371 153 S HA 0.003 4.473 4.470 0.000 0.000 0.224 153 S C 0.786 175.328 174.600 -0.098 0.000 1.029 153 S CA 1.025 59.164 58.200 -0.102 0.000 0.978 153 S CB -0.642 62.521 63.200 -0.060 0.000 0.833 153 S HN 0.455 nan 8.310 nan 0.000 0.466 154 V N -0.832 118.974 119.914 -0.180 0.000 2.777 154 V HA 0.702 4.822 4.120 0.000 0.000 0.306 154 V C -0.975 174.992 176.094 -0.212 0.000 1.112 154 V CA -1.337 60.903 62.300 -0.099 0.000 0.917 154 V CB 0.995 32.803 31.823 -0.025 0.000 1.018 154 V HN 0.141 nan 8.190 nan 0.000 0.426 155 F N 3.923 123.814 119.950 -0.099 0.000 2.370 155 F HA 0.822 5.349 4.527 0.000 0.000 0.319 155 F C 0.343 176.058 175.800 -0.140 0.000 1.129 155 F CA -1.083 56.846 58.000 -0.120 0.000 1.109 155 F CB 1.358 40.268 39.000 -0.151 0.000 1.262 155 F HN 0.421 nan 8.300 nan 0.000 0.534 156 L N 3.349 124.603 121.223 0.052 0.000 2.595 156 L HA 0.319 4.659 4.340 0.000 0.000 0.259 156 L C -1.257 175.572 176.870 -0.068 0.000 1.033 156 L CA -0.340 54.471 54.840 -0.048 0.000 0.901 156 L CB 0.793 42.812 42.059 -0.067 0.000 1.151 156 L HN 0.389 nan 8.230 nan 0.000 0.453 157 L N 1.588 122.741 121.223 -0.117 0.000 2.440 157 L HA 0.700 5.040 4.340 0.000 0.000 0.262 157 L C 0.021 176.797 176.870 -0.158 0.000 1.072 157 L CA -0.193 54.544 54.840 -0.171 0.000 0.798 157 L CB 0.628 42.484 42.059 -0.338 0.000 1.307 157 L HN 0.320 nan 8.230 nan 0.000 0.475 158 D N 0.073 120.383 120.400 -0.149 0.000 2.300 158 D HA 0.135 4.775 4.640 0.000 0.000 0.218 158 D C -0.839 175.449 176.300 -0.019 0.000 1.326 158 D CA -0.364 53.603 54.000 -0.055 0.000 0.942 158 D CB 0.532 41.338 40.800 0.009 0.000 1.495 158 D HN 0.528 nan 8.370 nan 0.000 0.545 159 E N 2.566 122.773 120.200 0.012 0.000 2.210 159 E HA -0.180 4.170 4.350 0.000 0.000 0.201 159 E C -2.078 174.546 176.600 0.040 0.000 1.339 159 E CA 0.522 56.977 56.400 0.091 0.000 0.699 159 E CB -0.602 29.184 29.700 0.143 0.000 1.126 159 E HN 0.382 nan 8.360 nan 0.000 0.355 160 P HA -0.088 nan 4.420 nan 0.000 0.198 160 P C 0.224 177.551 177.300 0.045 0.000 1.020 160 P CA 1.004 64.093 63.100 -0.018 0.000 0.835 160 P CB -0.048 31.590 31.700 -0.103 0.000 0.659 161 L N -0.066 121.196 121.223 0.066 0.000 2.694 161 L HA 0.073 4.413 4.340 0.000 0.000 0.287 161 L C 0.793 177.715 176.870 0.086 0.000 1.249 161 L CA 0.394 55.282 54.840 0.079 0.000 1.177 161 L CB -1.355 40.761 42.059 0.095 0.000 1.435 161 L HN 0.107 nan 8.230 nan 0.000 0.440 162 S N -0.232 115.510 115.700 0.070 0.000 2.619 162 S HA 0.047 4.517 4.470 0.000 0.000 0.238 162 S C 1.083 175.712 174.600 0.048 0.000 1.068 162 S CA -0.151 58.089 58.200 0.067 0.000 0.926 162 S CB 0.031 63.273 63.200 0.070 0.000 0.864 162 S HN 0.565 nan 8.310 nan 0.000 0.493 163 N N 0.911 119.637 118.700 0.043 0.000 2.273 163 N HA 0.436 5.176 4.740 0.000 0.000 0.231 163 N C -1.154 174.376 175.510 0.033 0.000 1.134 163 N CA -0.070 53.000 53.050 0.034 0.000 0.856 163 N CB 0.130 38.635 38.487 0.031 0.000 1.068 163 N HN 0.425 nan 8.380 nan 0.000 0.510 164 L N 1.218 122.463 121.223 0.037 0.000 2.316 164 L HA 0.356 4.696 4.340 0.000 0.000 0.280 164 L C -0.194 176.695 176.870 0.031 0.000 1.006 164 L CA -1.261 53.600 54.840 0.034 0.000 0.836 164 L CB 1.125 43.207 42.059 0.039 0.000 1.221 164 L HN 0.193 nan 8.230 nan 0.000 0.418 165 D N 2.718 123.133 120.400 0.025 0.000 2.278 165 D HA -0.138 4.503 4.640 0.000 0.000 0.234 165 D C 1.018 177.330 176.300 0.020 0.000 1.344 165 D CA -0.051 53.961 54.000 0.020 0.000 0.892 165 D CB 0.786 41.596 40.800 0.016 0.000 1.204 165 D HN 0.542 nan 8.370 nan 0.000 0.489 166 A N -0.563 122.266 122.820 0.015 0.000 2.028 166 A HA 0.335 4.655 4.320 0.000 0.000 0.207 166 A C 1.044 178.636 177.584 0.014 0.000 1.396 166 A CA 1.035 53.080 52.037 0.013 0.000 1.257 166 A CB -1.404 17.599 19.000 0.007 0.000 0.752 166 A HN 0.680 nan 8.150 nan 0.000 0.549 167 A N -0.682 122.149 122.820 0.018 0.000 2.336 167 A HA 0.481 4.801 4.320 0.000 0.000 0.212 167 A C 1.001 178.599 177.584 0.023 0.000 2.317 167 A CA -0.035 52.013 52.037 0.019 0.000 1.564 167 A CB -0.311 18.701 19.000 0.020 0.000 1.096 167 A HN 0.367 nan 8.150 nan 0.000 0.441 168 L N 0.715 121.954 121.223 0.027 0.000 2.962 168 L HA 0.074 4.414 4.340 0.000 0.000 0.263 168 L C 2.022 178.914 176.870 0.036 0.000 1.152 168 L CA 0.481 55.339 54.840 0.030 0.000 0.954 168 L CB -0.451 41.627 42.059 0.032 0.000 1.213 168 L HN 0.569 nan 8.230 nan 0.000 0.422 169 R N -1.322 119.199 120.500 0.036 0.000 2.320 169 R HA 0.032 4.372 4.340 0.000 0.000 0.193 169 R C 1.951 178.276 176.300 0.041 0.000 0.885 169 R CA 0.292 56.419 56.100 0.045 0.000 1.085 169 R CB 0.274 30.602 30.300 0.046 0.000 1.253 169 R HN 0.145 nan 8.270 nan 0.000 0.636 170 V N 3.478 123.408 119.914 0.027 0.000 2.343 170 V HA -0.286 3.834 4.120 0.000 0.000 0.247 170 V C 2.595 178.700 176.094 0.019 0.000 1.051 170 V CA 2.235 64.545 62.300 0.017 0.000 1.036 170 V CB -0.654 31.174 31.823 0.009 0.000 0.654 170 V HN 0.512 nan 8.190 nan 0.000 0.451 171 Q N -0.491 119.322 119.800 0.022 0.000 2.124 171 Q HA -0.224 4.116 4.340 0.000 0.000 0.202 171 Q C 2.152 178.171 176.000 0.032 0.000 0.977 171 Q CA 1.718 57.534 55.803 0.023 0.000 0.850 171 Q CB -0.339 28.412 28.738 0.022 0.000 0.901 171 Q HN 0.436 nan 8.270 nan 0.000 0.429 172 M N 0.944 120.570 119.600 0.042 0.000 2.117 172 M HA -0.098 4.382 4.480 0.000 0.000 0.262 172 M C 2.243 178.587 176.300 0.074 0.000 1.065 172 M CA 1.530 56.865 55.300 0.059 0.000 1.114 172 M CB -1.092 31.552 32.600 0.072 0.000 1.361 172 M HN 0.303 nan 8.290 nan 0.000 0.408 173 R N 0.363 120.899 120.500 0.060 0.000 2.328 173 R HA -0.031 4.309 4.340 0.000 0.000 0.207 173 R C 1.588 177.901 176.300 0.021 0.000 1.056 173 R CA 0.688 56.810 56.100 0.038 0.000 1.016 173 R CB -0.059 30.241 30.300 -0.000 0.000 0.872 173 R HN 0.376 nan 8.270 nan 0.000 0.471 174 I N -0.300 120.288 120.570 0.029 0.000 3.708 174 I HA -0.037 4.133 4.170 0.000 0.000 0.302 174 I C 1.474 177.613 176.117 0.038 0.000 1.255 174 I CA 0.143 61.457 61.300 0.024 0.000 1.362 174 I CB 0.223 38.233 38.000 0.016 0.000 1.100 174 I HN 0.043 nan 8.210 nan 0.000 0.434 175 E N 0.990 121.219 120.200 0.047 0.000 2.132 175 E HA 0.097 4.447 4.350 0.000 0.000 0.193 175 E C 2.275 178.914 176.600 0.066 0.000 0.951 175 E CA 0.740 57.168 56.400 0.047 0.000 0.843 175 E CB -0.034 29.687 29.700 0.036 0.000 0.807 175 E HN 0.360 nan 8.360 nan 0.000 0.467 176 I N 2.426 123.051 120.570 0.092 0.000 2.194 176 I HA -0.281 3.889 4.170 0.000 0.000 0.246 176 I C 2.456 178.693 176.117 0.200 0.000 1.093 176 I CA 1.736 63.112 61.300 0.127 0.000 1.355 176 I CB -0.406 37.725 38.000 0.218 0.000 1.046 176 I HN 0.068 nan 8.210 nan 0.000 0.413 177 S N 0.667 116.487 115.700 0.200 0.000 2.447 177 S HA -0.187 4.283 4.470 0.000 0.000 0.233 177 S C 2.066 176.778 174.600 0.186 0.000 1.006 177 S CA 0.646 58.986 58.200 0.233 0.000 0.957 177 S CB -0.398 62.859 63.200 0.096 0.000 0.773 177 S HN 0.463 nan 8.310 nan 0.000 0.507 178 R N 1.076 121.643 120.500 0.111 0.000 2.075 178 R HA 0.135 4.475 4.340 0.000 0.000 0.226 178 R C 2.438 178.775 176.300 0.062 0.000 1.114 178 R CA 1.196 57.337 56.100 0.069 0.000 0.972 178 R CB -0.524 29.802 30.300 0.043 0.000 0.869 178 R HN 0.537 nan 8.270 nan 0.000 0.437 179 L N 0.706 121.962 121.223 0.055 0.000 2.083 179 L HA -0.183 4.157 4.340 0.000 0.000 0.209 179 L C 2.238 179.130 176.870 0.037 0.000 1.083 179 L CA 1.886 56.733 54.840 0.012 0.000 0.752 179 L CB -0.442 41.584 42.059 -0.054 0.000 0.899 179 L HN 0.326 nan 8.230 nan 0.000 0.433 180 H N 0.043 119.103 119.070 -0.018 0.000 2.561 180 H HA -0.081 4.475 4.556 0.000 0.000 0.278 180 H C 1.830 177.182 175.328 0.042 0.000 1.014 180 H CA 1.282 57.334 56.048 0.007 0.000 1.211 180 H CB 0.106 29.963 29.762 0.159 0.000 1.365 180 H HN 0.415 nan 8.280 nan 0.000 0.594 181 K N -0.241 120.149 120.400 -0.016 0.000 2.108 181 K HA 0.024 4.344 4.320 0.000 0.000 0.204 181 K C 2.363 178.935 176.600 -0.047 0.000 1.036 181 K CA 0.872 57.120 56.287 -0.064 0.000 0.965 181 K CB 0.208 32.700 32.500 -0.012 0.000 0.804 181 K HN 0.300 nan 8.250 nan 0.000 0.454 182 R N 1.424 121.917 120.500 -0.011 0.000 2.064 182 R HA -0.027 4.313 4.340 0.000 0.000 0.228 182 R C 0.896 177.202 176.300 0.010 0.000 1.144 182 R CA 0.956 57.056 56.100 0.001 0.000 0.932 182 R CB -1.052 29.255 30.300 0.011 0.000 0.833 182 R HN 0.003 nan 8.270 nan 0.000 0.429 183 L N 3.038 124.275 121.223 0.023 0.000 2.415 183 L HA 0.181 4.521 4.340 0.000 0.000 0.269 183 L C 0.745 177.650 176.870 0.058 0.000 1.244 183 L CA -0.294 54.584 54.840 0.063 0.000 1.113 183 L CB 0.729 42.841 42.059 0.088 0.000 1.352 183 L HN 0.516 nan 8.230 nan 0.000 0.433 184 G N 2.448 111.264 108.800 0.026 0.000 3.302 184 G HA2 -0.031 3.929 3.960 0.000 0.000 0.220 184 G HA3 -0.031 3.929 3.960 0.000 0.000 0.220 184 G C 0.908 175.856 174.900 0.080 0.000 1.297 184 G CA -0.339 44.757 45.100 -0.006 0.000 1.213 184 G HN 0.342 nan 8.290 nan 0.000 0.508 185 R N -0.467 120.130 120.500 0.163 0.000 2.517 185 R HA 0.416 4.756 4.340 0.000 0.000 0.250 185 R C 0.092 176.545 176.300 0.254 0.000 1.213 185 R CA -0.302 55.935 56.100 0.229 0.000 1.146 185 R CB -0.353 30.184 30.300 0.395 0.000 1.279 185 R HN 0.011 nan 8.270 nan 0.000 0.597 186 T N 1.550 116.240 114.554 0.227 0.000 2.875 186 T HA 0.584 4.934 4.350 0.000 0.000 0.284 186 T C 0.193 174.966 174.700 0.122 0.000 0.995 186 T CA -0.312 61.880 62.100 0.153 0.000 1.060 186 T CB 0.852 69.790 68.868 0.116 0.000 0.967 186 T HN 0.242 nan 8.240 nan 0.000 0.476 187 M N 2.731 122.258 119.600 -0.122 0.000 2.550 187 M HA 0.554 5.034 4.480 0.000 0.000 0.292 187 M C -1.189 174.981 176.300 -0.216 0.000 1.221 187 M CA -0.713 54.430 55.300 -0.260 0.000 0.873 187 M CB 2.654 34.759 32.600 -0.824 0.000 1.727 187 M HN 0.370 nan 8.290 nan 0.000 0.459 188 I N 1.917 122.403 120.570 -0.141 0.000 2.563 188 I HA 0.300 4.470 4.170 0.000 0.000 0.276 188 I C -1.436 174.633 176.117 -0.080 0.000 1.074 188 I CA -0.447 60.777 61.300 -0.127 0.000 1.124 188 I CB 1.010 38.859 38.000 -0.253 0.000 1.225 188 I HN 0.647 nan 8.210 nan 0.000 0.482 189 Y N 6.100 126.385 120.300 -0.025 0.000 2.301 189 Y HA 0.601 5.151 4.550 0.000 0.000 0.325 189 Y C -0.533 175.374 175.900 0.011 0.000 1.203 189 Y CA -0.478 57.663 58.100 0.069 0.000 1.255 189 Y CB 1.387 40.060 38.460 0.354 0.000 1.232 189 Y HN 0.164 nan 8.280 nan 0.000 0.501 190 V N 5.053 125.216 119.914 0.416 0.000 2.623 190 V HA 0.529 4.649 4.120 0.000 0.000 0.304 190 V C -0.567 175.742 176.094 0.360 0.000 1.054 190 V CA -0.313 62.164 62.300 0.295 0.000 0.882 190 V CB 1.721 33.606 31.823 0.104 0.000 1.002 190 V HN 0.993 nan 8.190 nan 0.000 0.424 191 T N -0.097 114.611 114.554 0.257 0.000 2.648 191 T HA 0.480 4.830 4.350 0.000 0.000 0.304 191 T C -0.135 174.541 174.700 -0.040 0.000 1.312 191 T CA -0.575 61.652 62.100 0.212 0.000 1.023 191 T CB 2.021 71.082 68.868 0.322 0.000 1.612 191 T HN 0.528 nan 8.240 nan 0.000 0.487 192 H N -0.917 118.251 119.070 0.163 0.000 3.233 192 H HA 0.268 4.824 4.556 0.000 0.000 0.263 192 H C -0.522 174.854 175.328 0.079 0.000 1.168 192 H CA -0.244 55.888 56.048 0.139 0.000 1.159 192 H CB 0.794 30.629 29.762 0.122 0.000 1.593 192 H HN 0.576 nan 8.280 nan 0.000 0.580 193 D N 1.926 122.409 120.400 0.139 0.000 2.453 193 D HA 0.021 4.661 4.640 0.000 0.000 0.223 193 D C 1.017 177.318 176.300 0.002 0.000 1.183 193 D CA 0.103 54.141 54.000 0.064 0.000 0.933 193 D CB 0.777 41.613 40.800 0.059 0.000 1.038 193 D HN 0.298 nan 8.370 nan 0.000 0.513 194 Q N 1.701 121.498 119.800 -0.005 0.000 2.170 194 Q HA -0.105 4.235 4.340 0.000 0.000 0.203 194 Q C 1.948 177.906 176.000 -0.070 0.000 0.976 194 Q CA 1.022 56.806 55.803 -0.032 0.000 0.858 194 Q CB 0.459 29.172 28.738 -0.043 0.000 0.907 194 Q HN 0.443 nan 8.270 nan 0.000 0.433 195 V N 0.756 120.626 119.914 -0.073 0.000 2.295 195 V HA -0.275 3.845 4.120 0.000 0.000 0.246 195 V C 2.039 178.062 176.094 -0.119 0.000 1.049 195 V CA 1.987 64.232 62.300 -0.092 0.000 1.024 195 V CB -0.561 31.217 31.823 -0.075 0.000 0.648 195 V HN 0.376 nan 8.190 nan 0.000 0.447 196 E N 0.108 120.235 120.200 -0.120 0.000 2.021 196 E HA -0.290 4.060 4.350 0.000 0.000 0.200 196 E C 2.316 178.743 176.600 -0.288 0.000 1.015 196 E CA 1.688 57.972 56.400 -0.193 0.000 0.824 196 E CB -0.400 29.195 29.700 -0.175 0.000 0.762 196 E HN 0.526 nan 8.360 nan 0.000 0.454 197 A N 1.057 123.720 122.820 -0.260 0.000 1.881 197 A HA -0.291 4.029 4.320 0.000 0.000 0.219 197 A C 2.171 179.627 177.584 -0.213 0.000 1.215 197 A CA 2.530 54.416 52.037 -0.251 0.000 0.648 197 A CB -0.701 18.232 19.000 -0.112 0.000 0.832 197 A HN 0.310 nan 8.150 nan 0.000 0.455 198 M N -0.482 119.027 119.600 -0.150 0.000 2.202 198 M HA -0.110 4.370 4.480 0.000 0.000 0.262 198 M C 1.825 178.029 176.300 -0.159 0.000 1.063 198 M CA 2.012 57.233 55.300 -0.132 0.000 1.097 198 M CB -1.932 30.593 32.600 -0.125 0.000 1.382 198 M HN 0.456 nan 8.290 nan 0.000 0.413 199 T N -0.063 114.377 114.554 -0.189 0.000 3.081 199 T HA 0.225 4.575 4.350 0.000 0.000 0.250 199 T C 1.921 176.462 174.700 -0.265 0.000 1.100 199 T CA 0.392 62.380 62.100 -0.187 0.000 1.038 199 T CB 0.331 69.107 68.868 -0.153 0.000 0.962 199 T HN 0.274 nan 8.240 nan 0.000 0.516 200 L N -0.166 120.810 121.223 -0.411 0.000 2.547 200 L HA 0.484 4.824 4.340 0.000 0.000 0.218 200 L C 1.361 177.715 176.870 -0.859 0.000 1.048 200 L CA -0.170 54.233 54.840 -0.729 0.000 0.859 200 L CB -0.124 41.314 42.059 -1.034 0.000 1.128 200 L HN 0.090 nan 8.230 nan 0.000 0.483 201 A N 0.034 122.529 122.820 -0.540 0.000 2.351 201 A HA 0.125 4.445 4.320 0.000 0.000 0.257 201 A C 0.271 177.800 177.584 -0.091 0.000 1.087 201 A CA -0.182 51.698 52.037 -0.262 0.000 0.798 201 A CB 0.234 19.181 19.000 -0.088 0.000 1.033 201 A HN 0.235 nan 8.150 nan 0.000 0.488 202 D N -0.253 120.172 120.400 0.042 0.000 2.355 202 D HA 0.111 4.751 4.640 0.000 0.000 0.206 202 D C 0.237 176.581 176.300 0.073 0.000 1.010 202 D CA 0.920 54.967 54.000 0.078 0.000 0.875 202 D CB 0.495 41.384 40.800 0.147 0.000 0.966 202 D HN 0.524 nan 8.370 nan 0.000 0.512 203 K N 0.584 121.039 120.400 0.093 0.000 2.523 203 K HA 0.507 4.827 4.320 0.000 0.000 0.257 203 K C -1.777 174.889 176.600 0.110 0.000 0.932 203 K CA -0.480 55.865 56.287 0.097 0.000 0.812 203 K CB 2.317 34.886 32.500 0.115 0.000 1.326 203 K HN -0.199 nan 8.250 nan 0.000 0.433 204 I N 3.556 124.179 120.570 0.089 0.000 2.533 204 I HA 0.324 4.494 4.170 0.000 0.000 0.290 204 I C -0.868 175.279 176.117 0.050 0.000 1.056 204 I CA -1.290 60.062 61.300 0.087 0.000 1.057 204 I CB 2.055 40.093 38.000 0.062 0.000 1.240 204 I HN 0.330 nan 8.210 nan 0.000 0.423 205 V N 7.630 127.548 119.914 0.006 0.000 2.417 205 V HA 0.572 4.692 4.120 0.000 0.000 0.291 205 V C -0.784 175.228 176.094 -0.136 0.000 1.024 205 V CA -0.255 61.973 62.300 -0.120 0.000 0.861 205 V CB 1.892 33.517 31.823 -0.330 0.000 0.985 205 V HN 0.443 nan 8.190 nan 0.000 0.436 206 V N 8.031 127.892 119.914 -0.088 0.000 2.347 206 V HA 0.503 4.623 4.120 0.000 0.000 0.280 206 V C -0.017 176.024 176.094 -0.089 0.000 1.021 206 V CA -0.421 61.833 62.300 -0.077 0.000 0.847 206 V CB 1.188 33.014 31.823 0.005 0.000 0.990 206 V HN 0.815 nan 8.190 nan 0.000 0.444 207 L N 4.022 125.155 121.223 -0.150 0.000 2.331 207 L HA 0.697 5.037 4.340 0.000 0.000 0.275 207 L C -0.541 176.206 176.870 -0.205 0.000 1.022 207 L CA -0.278 54.456 54.840 -0.177 0.000 0.812 207 L CB 1.864 43.812 42.059 -0.186 0.000 1.257 207 L HN 0.710 nan 8.230 nan 0.000 0.435 208 D N 2.270 122.458 120.400 -0.353 0.000 2.479 208 D HA 0.532 5.172 4.640 0.000 0.000 0.246 208 D C -0.160 175.933 176.300 -0.346 0.000 1.336 208 D CA 0.031 53.709 54.000 -0.538 0.000 0.967 208 D CB 1.408 41.299 40.800 -1.515 0.000 1.275 208 D HN 0.805 nan 8.370 nan 0.000 0.577 209 A N 3.106 125.806 122.820 -0.199 0.000 2.800 209 A HA 0.209 4.529 4.320 0.000 0.000 0.292 209 A C 1.618 179.123 177.584 -0.132 0.000 1.474 209 A CA 1.385 53.339 52.037 -0.138 0.000 0.744 209 A CB -2.123 16.790 19.000 -0.145 0.000 1.044 209 A HN 1.978 nan 8.150 nan 0.000 0.489 210 G N -1.893 106.835 108.800 -0.120 0.000 2.186 210 G HA2 -0.251 3.709 3.960 0.000 0.000 0.266 210 G HA3 -0.251 3.709 3.960 0.000 0.000 0.266 210 G C 0.181 175.006 174.900 -0.126 0.000 0.982 210 G CA 1.558 46.591 45.100 -0.110 0.000 0.670 210 G HN 1.752 nan 8.290 nan 0.000 0.533 211 R N -0.195 120.207 120.500 -0.163 0.000 2.393 211 R HA 0.575 4.915 4.340 0.000 0.000 0.310 211 R C 0.209 176.401 176.300 -0.180 0.000 0.968 211 R CA -0.574 55.427 56.100 -0.165 0.000 0.867 211 R CB 1.383 31.568 30.300 -0.191 0.000 1.124 211 R HN 0.137 nan 8.270 nan 0.000 0.450 212 V N 5.911 125.741 119.914 -0.141 0.000 2.381 212 V HA 0.115 4.235 4.120 0.000 0.000 0.257 212 V C 1.315 177.348 176.094 -0.103 0.000 1.057 212 V CA 0.531 62.750 62.300 -0.134 0.000 1.013 212 V CB 0.266 32.021 31.823 -0.113 0.000 1.069 212 V HN 1.039 nan 8.190 nan 0.000 0.484 213 A N 4.319 127.079 122.820 -0.099 0.000 1.902 213 A HA -0.053 4.267 4.320 0.000 0.000 0.217 213 A C 0.959 178.568 177.584 0.042 0.000 1.181 213 A CA 1.737 53.761 52.037 -0.021 0.000 0.623 213 A CB -0.025 19.052 19.000 0.128 0.000 0.818 213 A HN 0.912 nan 8.150 nan 0.000 0.443 214 Q N -2.905 116.914 119.800 0.032 0.000 2.903 214 Q HA 0.473 4.813 4.340 0.000 0.000 0.277 214 Q C -2.398 173.618 176.000 0.026 0.000 0.933 214 Q CA -0.623 55.207 55.803 0.045 0.000 0.822 214 Q CB 0.932 29.726 28.738 0.093 0.000 1.693 214 Q HN 0.283 nan 8.270 nan 0.000 0.447 215 V N 0.866 120.800 119.914 0.034 0.000 2.760 215 V HA 0.997 5.117 4.120 0.000 0.000 0.309 215 V C 0.098 176.226 176.094 0.056 0.000 1.077 215 V CA 0.257 62.576 62.300 0.032 0.000 0.910 215 V CB 1.357 33.189 31.823 0.015 0.000 1.008 215 V HN 1.097 nan 8.190 nan 0.000 0.424 216 G N 2.849 111.689 108.800 0.066 0.000 2.321 216 G HA2 0.363 4.323 3.960 0.000 0.000 0.296 216 G HA3 0.363 4.323 3.960 0.000 0.000 0.296 216 G C -1.550 173.398 174.900 0.080 0.000 1.287 216 G CA -1.015 44.130 45.100 0.076 0.000 0.846 216 G HN 0.568 nan 8.290 nan 0.000 0.508 217 K N 0.572 121.022 120.400 0.084 0.000 2.180 217 K HA 0.256 4.576 4.320 0.000 0.000 0.251 217 K C -1.611 175.040 176.600 0.085 0.000 1.014 217 K CA -1.171 55.162 56.287 0.077 0.000 0.913 217 K CB 1.130 33.676 32.500 0.077 0.000 1.008 217 K HN 0.046 nan 8.250 nan 0.000 0.490 218 P HA -0.208 nan 4.420 nan 0.000 0.213 218 P C 1.045 178.388 177.300 0.072 0.000 1.176 218 P CA 1.215 64.337 63.100 0.036 0.000 0.919 218 P CB 0.133 31.823 31.700 -0.016 0.000 0.791 219 L N -0.794 120.483 121.223 0.090 0.000 2.456 219 L HA -0.096 4.244 4.340 0.000 0.000 0.224 219 L C 2.139 179.181 176.870 0.286 0.000 1.148 219 L CA 1.562 56.500 54.840 0.162 0.000 0.825 219 L CB -1.632 40.562 42.059 0.225 0.000 0.937 219 L HN 0.079 nan 8.230 nan 0.000 0.450 220 E N -0.908 119.447 120.200 0.258 0.000 2.299 220 E HA -0.066 4.284 4.350 0.000 0.000 0.193 220 E C 2.113 178.887 176.600 0.290 0.000 0.998 220 E CA 0.260 56.863 56.400 0.338 0.000 0.851 220 E CB 0.204 30.049 29.700 0.243 0.000 0.795 220 E HN 0.446 nan 8.360 nan 0.000 0.492 221 L N -0.323 121.023 121.223 0.203 0.000 2.307 221 L HA -0.040 4.301 4.340 0.000 0.000 0.211 221 L C 2.114 179.073 176.870 0.149 0.000 1.099 221 L CA 0.408 55.349 54.840 0.169 0.000 0.816 221 L CB -0.162 41.977 42.059 0.133 0.000 0.952 221 L HN 0.196 nan 8.230 nan 0.000 0.455 222 Y N -0.451 119.832 120.300 -0.029 0.000 2.314 222 Y HA -0.115 4.435 4.550 0.000 0.000 0.294 222 Y C 2.634 178.431 175.900 -0.172 0.000 1.119 222 Y CA 1.449 59.459 58.100 -0.151 0.000 1.179 222 Y CB 0.089 38.378 38.460 -0.285 0.000 1.025 222 Y HN 0.151 nan 8.280 nan 0.000 0.541 223 H N -2.235 116.805 119.070 -0.050 0.000 2.486 223 H HA 0.134 4.690 4.556 0.000 0.000 0.287 223 H C -0.215 174.683 175.328 -0.716 0.000 1.010 223 H CA 0.867 56.639 56.048 -0.459 0.000 1.324 223 H CB 0.156 29.524 29.762 -0.657 0.000 1.446 223 H HN 0.295 nan 8.280 nan 0.000 0.537 224 Y N 1.225 121.684 120.300 0.265 0.000 2.517 224 Y HA 0.256 4.806 4.550 0.000 0.000 0.330 224 Y C -2.282 173.731 175.900 0.189 0.000 0.917 224 Y CA -2.758 55.462 58.100 0.199 0.000 1.131 224 Y CB 0.507 39.049 38.460 0.138 0.000 1.175 224 Y HN 0.014 nan 8.280 nan 0.000 0.620 225 P HA -0.033 nan 4.420 nan 0.000 0.264 225 P C 0.703 178.170 177.300 0.278 0.000 1.183 225 P CA 0.595 63.845 63.100 0.251 0.000 0.763 225 P CB 1.739 33.572 31.700 0.222 0.000 0.807 226 A N 3.435 126.393 122.820 0.230 0.000 1.972 226 A HA -0.101 4.219 4.320 0.000 0.000 0.219 226 A C 0.754 178.486 177.584 0.246 0.000 1.169 226 A CA 1.794 53.953 52.037 0.202 0.000 0.635 226 A CB -0.615 18.478 19.000 0.155 0.000 0.810 226 A HN 0.747 nan 8.150 nan 0.000 0.446 227 D N -4.738 115.845 120.400 0.304 0.000 2.768 227 D HA 0.204 4.844 4.640 0.000 0.000 0.327 227 D C 0.546 177.020 176.300 0.290 0.000 1.302 227 D CA -0.635 53.586 54.000 0.368 0.000 0.897 227 D CB 0.088 41.031 40.800 0.238 0.000 1.420 227 D HN -0.119 nan 8.370 nan 0.000 0.494 228 R N -1.015 119.514 120.500 0.048 0.000 2.096 228 R HA -0.141 4.199 4.340 0.000 0.000 0.240 228 R C 2.031 178.217 176.300 -0.190 0.000 1.139 228 R CA 1.686 57.526 56.100 -0.432 0.000 0.952 228 R CB -0.578 29.436 30.300 -0.477 0.000 0.854 228 R HN 0.432 nan 8.270 nan 0.000 0.436 229 F N 0.922 120.800 119.950 -0.119 0.000 2.025 229 F HA -0.281 4.246 4.527 0.000 0.000 0.297 229 F C 2.035 177.859 175.800 0.040 0.000 1.132 229 F CA 1.987 59.959 58.000 -0.047 0.000 1.191 229 F CB -0.710 38.267 39.000 -0.037 0.000 0.963 229 F HN -0.195 nan 8.300 nan 0.000 0.481 230 V N 0.777 120.664 119.914 -0.045 0.000 2.407 230 V HA -0.292 3.828 4.120 0.000 0.000 0.248 230 V C 2.748 178.825 176.094 -0.028 0.000 1.055 230 V CA 1.773 64.035 62.300 -0.064 0.000 1.049 230 V CB -1.876 30.031 31.823 0.141 0.000 0.662 230 V HN 0.554 nan 8.190 nan 0.000 0.455 231 A N 0.605 123.440 122.820 0.025 0.000 1.969 231 A HA -0.017 4.303 4.320 0.000 0.000 0.218 231 A C 2.336 179.927 177.584 0.011 0.000 1.169 231 A CA 1.778 53.828 52.037 0.022 0.000 0.635 231 A CB -0.902 18.176 19.000 0.130 0.000 0.810 231 A HN 0.544 nan 8.150 nan 0.000 0.445 232 G N -2.451 106.353 108.800 0.006 0.000 2.603 232 G HA2 0.039 3.999 3.960 0.000 0.000 0.214 232 G HA3 0.039 3.999 3.960 0.000 0.000 0.214 232 G C 1.289 176.135 174.900 -0.091 0.000 1.140 232 G CA 0.766 45.883 45.100 0.029 0.000 0.800 232 G HN 0.449 nan 8.290 nan 0.000 0.533 233 F N 0.493 120.248 119.950 -0.325 0.000 2.262 233 F HA 0.390 4.917 4.527 0.000 0.000 0.292 233 F C 0.621 176.316 175.800 -0.174 0.000 1.081 233 F CA -0.305 57.500 58.000 -0.326 0.000 1.355 233 F CB 0.307 38.944 39.000 -0.606 0.000 1.069 233 F HN -0.166 nan 8.300 nan 0.000 0.506 234 I N 1.420 122.009 120.570 0.032 0.000 2.352 234 I HA 0.452 4.622 4.170 0.000 0.000 0.290 234 I C 0.323 176.422 176.117 -0.030 0.000 1.036 234 I CA -0.013 61.306 61.300 0.030 0.000 1.336 234 I CB 0.344 38.408 38.000 0.106 0.000 1.407 234 I HN 0.316 nan 8.210 nan 0.000 0.497 235 G N 3.755 112.514 108.800 -0.068 0.000 3.069 235 G HA2 0.176 4.136 3.960 0.000 0.000 0.686 235 G HA3 0.176 4.136 3.960 0.000 0.000 0.686 235 G C -0.760 174.066 174.900 -0.122 0.000 1.161 235 G CA -0.462 44.604 45.100 -0.057 0.000 0.804 235 G HN 0.749 nan 8.290 nan 0.000 0.608 236 S N 2.943 118.577 115.700 -0.110 0.000 2.614 236 S HA 0.807 5.277 4.470 0.000 0.000 0.275 236 S C -1.824 172.720 174.600 -0.093 0.000 1.161 236 S CA -0.473 57.657 58.200 -0.116 0.000 0.969 236 S CB 1.481 64.604 63.200 -0.127 0.000 1.059 236 S HN 0.969 nan 8.310 nan 0.000 0.482 237 P HA 0.133 nan 4.420 nan 0.000 0.268 237 P C -0.307 176.920 177.300 -0.121 0.000 1.208 237 P CA -0.349 62.691 63.100 -0.101 0.000 0.777 237 P CB 0.400 32.038 31.700 -0.104 0.000 0.875 238 K N 1.253 121.585 120.400 -0.114 0.000 2.344 238 K HA 0.036 4.356 4.320 0.000 0.000 0.260 238 K C 0.565 177.065 176.600 -0.167 0.000 0.988 238 K CA -0.274 55.948 56.287 -0.108 0.000 0.909 238 K CB 0.207 32.682 32.500 -0.040 0.000 0.968 238 K HN 0.501 nan 8.250 nan 0.000 0.505 239 M N 2.677 122.142 119.600 -0.225 0.000 2.245 239 M HA -0.006 4.474 4.480 0.000 0.000 0.344 239 M C -0.535 175.336 176.300 -0.715 0.000 1.170 239 M CA 0.390 55.400 55.300 -0.484 0.000 1.135 239 M CB 0.361 32.590 32.600 -0.620 0.000 1.574 239 M HN 0.529 nan 8.290 nan 0.000 0.452 240 N N 2.754 121.086 118.700 -0.613 0.000 2.530 240 N HA 0.383 5.123 4.740 0.000 0.000 0.273 240 N C -1.781 173.266 175.510 -0.771 0.000 1.173 240 N CA 0.082 52.848 53.050 -0.474 0.000 0.967 240 N CB 0.710 39.059 38.487 -0.231 0.000 1.109 240 N HN 0.346 nan 8.380 nan 0.000 0.453 241 F N 1.658 121.588 119.950 -0.033 0.000 2.529 241 F HA 0.507 5.034 4.527 0.000 0.000 0.320 241 F C -0.455 175.348 175.800 0.005 0.000 1.118 241 F CA -0.761 57.231 58.000 -0.013 0.000 0.915 241 F CB 1.179 40.143 39.000 -0.061 0.000 1.161 241 F HN 0.040 nan 8.300 nan 0.000 0.445 242 L N 4.474 125.810 121.223 0.188 0.000 2.401 242 L HA 0.594 4.934 4.340 0.000 0.000 0.266 242 L C -2.662 174.278 176.870 0.116 0.000 0.991 242 L CA -2.170 52.739 54.840 0.116 0.000 0.818 242 L CB 2.565 44.665 42.059 0.069 0.000 1.321 242 L HN 0.298 nan 8.230 nan 0.000 0.413 243 P HA 0.275 nan 4.420 nan 0.000 0.280 243 P C -1.074 176.255 177.300 0.049 0.000 1.244 243 P CA -0.272 62.867 63.100 0.066 0.000 0.784 243 P CB 1.845 33.571 31.700 0.044 0.000 0.913 244 V N -0.297 119.644 119.914 0.046 0.000 3.087 244 V HA 0.606 4.726 4.120 0.000 0.000 0.306 244 V C -0.859 175.240 176.094 0.009 0.000 1.187 244 V CA -1.138 61.175 62.300 0.021 0.000 0.999 244 V CB 2.392 34.227 31.823 0.020 0.000 1.049 244 V HN 0.436 nan 8.190 nan 0.000 0.431 245 K N 1.935 122.327 120.400 -0.013 0.000 2.244 245 K HA 0.699 5.019 4.320 0.000 0.000 0.260 245 K C -1.002 175.568 176.600 -0.049 0.000 0.951 245 K CA -0.763 55.511 56.287 -0.021 0.000 0.826 245 K CB 2.094 34.581 32.500 -0.021 0.000 1.108 245 K HN 0.891 nan 8.250 nan 0.000 0.433 246 V N 5.406 125.291 119.914 -0.049 0.000 2.427 246 V HA 0.045 4.165 4.120 0.000 0.000 0.268 246 V C 0.957 176.992 176.094 -0.098 0.000 1.046 246 V CA 0.549 62.799 62.300 -0.084 0.000 0.970 246 V CB 0.710 32.496 31.823 -0.061 0.000 1.001 246 V HN 1.057 nan 8.190 nan 0.000 0.476 247 T N 3.964 118.425 114.554 -0.155 0.000 3.035 247 T HA 0.541 4.891 4.350 0.000 0.000 0.259 247 T C 0.573 175.188 174.700 -0.142 0.000 1.078 247 T CA 0.538 62.554 62.100 -0.141 0.000 1.132 247 T CB 0.255 69.027 68.868 -0.160 0.000 0.900 247 T HN 1.372 nan 8.240 nan 0.000 0.480 248 A N 0.874 123.558 122.820 -0.226 0.000 2.610 248 A HA 0.719 5.040 4.320 0.000 0.000 0.291 248 A C -0.620 176.908 177.584 -0.093 0.000 1.086 248 A CA -0.578 51.383 52.037 -0.126 0.000 0.677 248 A CB 1.301 20.259 19.000 -0.071 0.000 1.278 248 A HN 0.649 nan 8.150 nan 0.000 0.414 249 T N -1.692 112.940 114.554 0.131 0.000 2.923 249 T HA 0.917 5.267 4.350 0.000 0.000 0.311 249 T C -0.307 174.555 174.700 0.270 0.000 1.183 249 T CA 0.081 62.308 62.100 0.212 0.000 1.020 249 T CB 1.460 70.388 68.868 0.101 0.000 1.165 249 T HN 2.339 nan 8.240 nan 0.000 0.482 250 A N 1.518 124.499 122.820 0.269 0.000 2.486 250 A HA 0.851 5.171 4.320 0.000 0.000 0.277 250 A C -0.178 177.456 177.584 0.083 0.000 1.282 250 A CA -1.151 50.964 52.037 0.131 0.000 0.784 250 A CB 0.870 19.892 19.000 0.036 0.000 1.350 250 A HN 0.906 nan 8.150 nan 0.000 0.454 251 I N 1.536 122.126 120.570 0.035 0.000 3.257 251 I HA 0.223 4.393 4.170 0.000 0.000 0.325 251 I C -0.531 175.595 176.117 0.015 0.000 1.287 251 I CA 0.527 61.841 61.300 0.023 0.000 1.263 251 I CB -0.601 37.404 38.000 0.008 0.000 1.550 251 I HN 0.662 nan 8.210 nan 0.000 0.505 252 D N 0.101 120.521 120.400 0.034 0.000 4.439 252 D HA -0.076 4.564 4.640 0.000 0.000 0.098 252 D C -0.186 176.146 176.300 0.054 0.000 0.423 252 D CA -0.148 53.869 54.000 0.028 0.000 0.602 252 D CB -0.598 40.201 40.800 -0.002 0.000 1.633 252 D HN 0.305 nan 8.370 nan 0.000 0.146 253 Q N -0.573 119.302 119.800 0.125 0.000 1.853 253 Q HA 0.547 4.887 4.340 0.000 0.000 0.217 253 Q C -0.652 175.520 176.000 0.286 0.000 0.539 253 Q CA -0.162 55.798 55.803 0.262 0.000 0.634 253 Q CB 1.722 30.696 28.738 0.392 0.000 1.627 253 Q HN 0.265 nan 8.270 nan 0.000 0.174 254 V N 1.773 121.942 119.914 0.425 0.000 3.041 254 V HA -0.136 3.984 4.120 0.000 0.000 0.441 254 V C -1.014 175.005 176.094 -0.124 0.000 0.682 254 V CA 0.008 62.380 62.300 0.120 0.000 1.975 254 V CB -0.196 31.662 31.823 0.058 0.000 2.460 254 V HN 0.550 nan 8.190 nan 0.000 0.490 255 Q N 3.158 122.601 119.800 -0.595 0.000 2.256 255 Q HA 0.810 5.150 4.340 0.000 0.000 0.257 255 Q C -0.376 175.348 176.000 -0.460 0.000 0.936 255 Q CA -0.389 54.858 55.803 -0.927 0.000 0.903 255 Q CB 2.210 29.840 28.738 -1.847 0.000 1.263 255 Q HN 1.209 nan 8.270 nan 0.000 0.440 256 V N 0.066 119.784 119.914 -0.326 0.000 3.001 256 V HA 0.599 4.719 4.120 0.000 0.000 0.314 256 V C -0.978 175.024 176.094 -0.153 0.000 1.099 256 V CA -0.964 61.227 62.300 -0.183 0.000 0.989 256 V CB 1.950 33.715 31.823 -0.098 0.000 1.040 256 V HN 0.871 nan 8.190 nan 0.000 0.434 257 E N 2.378 122.518 120.200 -0.100 0.000 2.092 257 E HA 0.492 4.842 4.350 0.000 0.000 0.271 257 E C -0.615 175.961 176.600 -0.040 0.000 0.919 257 E CA -0.679 55.677 56.400 -0.073 0.000 0.760 257 E CB 1.324 30.986 29.700 -0.063 0.000 1.106 257 E HN 0.762 nan 8.360 nan 0.000 0.408 258 L N 5.501 126.704 121.223 -0.033 0.000 2.492 258 L HA -0.001 4.339 4.340 0.000 0.000 0.280 258 L C -1.547 175.318 176.870 -0.009 0.000 1.240 258 L CA -0.953 53.878 54.840 -0.014 0.000 0.831 258 L CB 0.075 42.127 42.059 -0.012 0.000 1.100 258 L HN 0.540 nan 8.230 nan 0.000 0.505 259 P HA -0.063 nan 4.420 nan 0.000 0.217 259 P C 0.290 177.590 177.300 0.001 0.000 1.154 259 P CA 0.713 63.815 63.100 0.003 0.000 0.841 259 P CB 0.163 31.870 31.700 0.012 0.000 0.788 260 M N -0.616 118.984 119.600 0.001 0.000 2.092 260 M HA -0.032 4.448 4.480 0.000 0.000 0.247 260 M C -1.813 174.485 176.300 -0.003 0.000 1.162 260 M CA -0.221 55.078 55.300 -0.001 0.000 1.019 260 M CB -1.832 30.767 32.600 -0.002 0.000 1.268 260 M HN -0.156 nan 8.290 nan 0.000 0.379 261 P HA 0.090 nan 4.420 nan 0.000 0.291 261 P C -0.321 176.975 177.300 -0.006 0.000 1.287 261 P CA 0.101 63.198 63.100 -0.004 0.000 0.767 261 P CB 0.092 31.790 31.700 -0.003 0.000 1.290 262 N N -2.369 116.327 118.700 -0.006 0.000 2.627 262 N HA -0.321 4.419 4.740 0.000 0.000 0.248 262 N C -0.769 174.735 175.510 -0.009 0.000 1.173 262 N CA 1.005 54.051 53.050 -0.007 0.000 0.741 262 N CB -1.891 36.592 38.487 -0.007 0.000 1.128 262 N HN 0.333 nan 8.380 nan 0.000 0.562 263 R N -0.675 119.819 120.500 -0.010 0.000 2.114 263 R HA -0.283 4.057 4.340 0.000 0.000 0.164 263 R C 0.023 176.311 176.300 -0.020 0.000 0.443 263 R CA 1.036 57.127 56.100 -0.015 0.000 0.438 263 R CB -0.933 29.357 30.300 -0.016 0.000 1.627 263 R HN 0.680 nan 8.270 nan 0.000 0.550 264 Q N 2.234 122.022 119.800 -0.019 0.000 2.332 264 Q HA 0.008 4.348 4.340 0.000 0.000 0.263 264 Q C -0.413 175.564 176.000 -0.038 0.000 0.979 264 Q CA 0.184 55.975 55.803 -0.021 0.000 0.885 264 Q CB 0.740 29.470 28.738 -0.014 0.000 1.218 264 Q HN 0.384 nan 8.270 nan 0.000 0.405 265 Q N 1.818 121.590 119.800 -0.047 0.000 2.274 265 Q HA 0.620 4.960 4.340 0.000 0.000 0.260 265 Q C -1.257 174.689 176.000 -0.090 0.000 0.974 265 Q CA -0.829 54.915 55.803 -0.098 0.000 0.876 265 Q CB 2.298 30.961 28.738 -0.126 0.000 1.297 265 Q HN 0.400 nan 8.270 nan 0.000 0.446 266 V N 1.093 120.921 119.914 -0.143 0.000 2.841 266 V HA 0.369 4.489 4.120 0.000 0.000 0.310 266 V C -1.452 174.551 176.094 -0.151 0.000 1.090 266 V CA -1.004 61.252 62.300 -0.073 0.000 0.930 266 V CB 1.653 33.462 31.823 -0.022 0.000 1.014 266 V HN 0.723 nan 8.190 nan 0.000 0.425 267 W N 4.360 125.653 121.300 -0.011 0.000 2.335 267 W HA 0.711 5.371 4.660 0.000 0.000 0.307 267 W C -0.336 176.171 176.519 -0.020 0.000 1.117 267 W CA -0.264 57.074 57.345 -0.013 0.000 1.228 267 W CB 1.119 30.571 29.460 -0.013 0.000 1.240 267 W HN 0.334 nan 8.180 nan 0.000 0.468 268 L N 5.962 127.288 121.223 0.172 0.000 2.309 268 L HA 0.405 4.745 4.340 0.000 0.000 0.282 268 L C -1.974 174.959 176.870 0.105 0.000 1.036 268 L CA -2.257 52.638 54.840 0.091 0.000 0.806 268 L CB 1.296 43.369 42.059 0.024 0.000 1.220 268 L HN 0.118 nan 8.230 nan 0.000 0.429 269 P HA 0.057 nan 4.420 nan 0.000 0.241 269 P C -0.896 176.429 177.300 0.042 0.000 1.760 269 P CA 0.079 63.213 63.100 0.056 0.000 1.081 269 P CB -0.035 31.689 31.700 0.041 0.000 1.975 270 V N -1.617 118.324 119.914 0.044 0.000 2.971 270 V HA 0.453 4.573 4.120 0.000 0.000 0.309 270 V C 1.528 177.637 176.094 0.025 0.000 1.130 270 V CA -1.069 61.242 62.300 0.019 0.000 0.964 270 V CB 2.078 33.888 31.823 -0.021 0.000 1.029 270 V HN 0.020 nan 8.190 nan 0.000 0.427 271 E N 3.105 123.313 120.200 0.013 0.000 2.535 271 E HA -0.430 3.920 4.350 0.000 0.000 0.249 271 E C 1.546 178.159 176.600 0.022 0.000 1.106 271 E CA 4.060 60.468 56.400 0.013 0.000 1.212 271 E CB -0.553 29.150 29.700 0.005 0.000 1.058 271 E HN 2.426 nan 8.360 nan 0.000 0.469 272 S N -1.817 113.898 115.700 0.026 0.000 2.868 272 S HA -0.459 4.011 4.470 0.000 0.000 0.270 272 S C 1.124 175.742 174.600 0.030 0.000 1.300 272 S CA 2.216 60.438 58.200 0.037 0.000 1.362 272 S CB -1.836 61.400 63.200 0.060 0.000 1.685 272 S HN 0.642 nan 8.310 nan 0.000 0.682 273 R N 1.615 122.128 120.500 0.022 0.000 2.513 273 R HA -0.165 4.175 4.340 0.000 0.000 0.184 273 R C 0.890 177.202 176.300 0.020 0.000 0.867 273 R CA 2.156 58.267 56.100 0.019 0.000 0.885 273 R CB -0.741 29.569 30.300 0.016 0.000 0.651 273 R HN 0.518 nan 8.270 nan 0.000 0.489 274 D N 0.797 121.209 120.400 0.019 0.000 2.885 274 D HA 0.073 4.713 4.640 0.000 0.000 0.234 274 D C -1.311 175.001 176.300 0.021 0.000 1.129 274 D CA 0.017 54.029 54.000 0.020 0.000 0.991 274 D CB -0.098 40.715 40.800 0.021 0.000 1.137 274 D HN 0.129 nan 8.370 nan 0.000 0.459 275 V N 1.383 121.309 119.914 0.020 0.000 2.588 275 V HA 0.500 4.620 4.120 0.000 0.000 0.304 275 V C -1.377 174.727 176.094 0.016 0.000 1.042 275 V CA -0.653 61.658 62.300 0.018 0.000 0.877 275 V CB 1.918 33.750 31.823 0.015 0.000 0.996 275 V HN 0.056 nan 8.190 nan 0.000 0.425 276 Q N 3.692 123.500 119.800 0.012 0.000 2.306 276 Q HA 0.547 4.887 4.340 0.000 0.000 0.265 276 Q C -0.609 175.391 176.000 0.001 0.000 1.022 276 Q CA -0.573 55.236 55.803 0.010 0.000 0.853 276 Q CB 2.133 30.877 28.738 0.010 0.000 1.327 276 Q HN 0.742 nan 8.270 nan 0.000 0.449 277 V N 1.496 121.409 119.914 -0.000 0.000 2.599 277 V HA 0.313 4.433 4.120 0.000 0.000 0.300 277 V C 1.449 177.537 176.094 -0.010 0.000 1.034 277 V CA 1.474 63.767 62.300 -0.012 0.000 1.115 277 V CB 0.105 31.924 31.823 -0.007 0.000 0.934 277 V HN 1.072 nan 8.190 nan 0.000 0.485 278 G N 3.116 111.906 108.800 -0.018 0.000 2.284 278 G HA2 -0.089 3.871 3.960 0.000 0.000 0.216 278 G HA3 -0.089 3.871 3.960 0.000 0.000 0.216 278 G C 0.568 175.464 174.900 -0.007 0.000 1.009 278 G CA 0.083 45.176 45.100 -0.012 0.000 0.625 278 G HN 1.614 nan 8.290 nan 0.000 0.501 279 A N 0.518 123.336 122.820 -0.003 0.000 2.547 279 A HA 0.438 4.758 4.320 0.000 0.000 0.233 279 A C 0.400 177.988 177.584 0.007 0.000 1.067 279 A CA 0.788 52.828 52.037 0.005 0.000 0.763 279 A CB 0.058 19.064 19.000 0.010 0.000 1.007 279 A HN 0.553 nan 8.150 nan 0.000 0.506 280 N N 2.056 120.765 118.700 0.015 0.000 2.485 280 N HA 0.402 5.142 4.740 0.000 0.000 0.243 280 N C -0.574 174.959 175.510 0.038 0.000 0.987 280 N CA 0.092 53.155 53.050 0.021 0.000 0.940 280 N CB 1.184 39.682 38.487 0.019 0.000 1.122 280 N HN 0.632 nan 8.380 nan 0.000 0.509 281 M N -0.176 119.453 119.600 0.049 0.000 2.872 281 M HA 0.379 4.859 4.480 0.000 0.000 0.290 281 M C 0.316 176.689 176.300 0.123 0.000 1.180 281 M CA -0.774 54.578 55.300 0.087 0.000 0.839 281 M CB 1.382 34.029 32.600 0.079 0.000 1.667 281 M HN 0.176 nan 8.290 nan 0.000 0.512 282 S N 1.005 116.834 115.700 0.214 0.000 2.519 282 S HA 0.629 5.099 4.470 0.000 0.000 0.309 282 S C -1.350 173.501 174.600 0.418 0.000 1.100 282 S CA -0.804 57.569 58.200 0.287 0.000 1.059 282 S CB 0.831 64.188 63.200 0.261 0.000 1.008 282 S HN 0.575 nan 8.310 nan 0.000 0.478 283 L N 5.013 126.422 121.223 0.311 0.000 2.309 283 L HA 0.907 5.247 4.340 0.000 0.000 0.282 283 L C 0.171 177.226 176.870 0.308 0.000 1.036 283 L CA -0.232 54.770 54.840 0.270 0.000 0.806 283 L CB 1.106 43.244 42.059 0.133 0.000 1.220 283 L HN 0.748 nan 8.230 nan 0.000 0.429 284 G N 4.642 113.639 108.800 0.329 0.000 2.495 284 G HA2 0.640 4.601 3.960 0.000 0.000 0.318 284 G HA3 0.640 4.601 3.960 0.000 0.000 0.318 284 G C -1.896 173.025 174.900 0.036 0.000 1.257 284 G CA -0.395 44.740 45.100 0.059 0.000 0.962 284 G HN 0.530 nan 8.290 nan 0.000 0.483 285 I N 0.403 120.892 120.570 -0.135 0.000 2.644 285 I HA 0.468 4.638 4.170 0.000 0.000 0.291 285 I C -0.228 175.797 176.117 -0.154 0.000 1.180 285 I CA -1.029 60.253 61.300 -0.031 0.000 1.040 285 I CB 1.971 39.981 38.000 0.017 0.000 1.255 285 I HN 0.488 nan 8.210 nan 0.000 0.422 286 R N 8.007 128.409 120.500 -0.162 0.000 2.438 286 R HA 0.316 4.656 4.340 0.000 0.000 0.287 286 R C -1.658 174.538 176.300 -0.173 0.000 1.077 286 R CA -1.341 54.584 56.100 -0.291 0.000 1.034 286 R CB 0.615 30.585 30.300 -0.551 0.000 0.993 286 R HN 0.434 nan 8.270 nan 0.000 0.459 287 P HA -0.186 nan 4.420 nan 0.000 0.216 287 P C 0.155 177.410 177.300 -0.075 0.000 1.150 287 P CA 1.459 64.512 63.100 -0.079 0.000 0.843 287 P CB 0.257 31.888 31.700 -0.115 0.000 0.787 288 E N -1.658 118.471 120.200 -0.119 0.000 2.338 288 E HA -0.156 4.194 4.350 0.000 0.000 0.197 288 E C 1.675 178.379 176.600 0.173 0.000 1.007 288 E CA 0.908 57.286 56.400 -0.037 0.000 0.849 288 E CB -0.842 28.847 29.700 -0.017 0.000 0.774 288 E HN 0.581 nan 8.360 nan 0.000 0.506 289 H N -0.629 118.458 119.070 0.029 0.000 2.595 289 H HA 0.208 4.764 4.556 0.000 0.000 0.265 289 H C 0.375 175.755 175.328 0.086 0.000 0.953 289 H CA -0.701 55.380 56.048 0.054 0.000 1.197 289 H CB 0.500 30.286 29.762 0.041 0.000 1.438 289 H HN 0.041 nan 8.280 nan 0.000 0.531 290 L N 2.019 123.395 121.223 0.255 0.000 2.499 290 L HA -0.011 4.329 4.340 0.000 0.000 0.281 290 L C -0.211 176.863 176.870 0.340 0.000 1.234 290 L CA 0.333 55.344 54.840 0.285 0.000 0.839 290 L CB 0.591 42.901 42.059 0.418 0.000 1.104 290 L HN 0.123 nan 8.230 nan 0.000 0.500 291 L N 3.238 124.604 121.223 0.237 0.000 2.322 291 L HA 0.404 4.744 4.340 0.000 0.000 0.269 291 L C -1.998 174.978 176.870 0.176 0.000 1.012 291 L CA -1.727 53.231 54.840 0.198 0.000 0.815 291 L CB 1.609 43.722 42.059 0.091 0.000 1.295 291 L HN 0.375 nan 8.230 nan 0.000 0.438 292 P HA 0.009 nan 4.420 nan 0.000 0.228 292 P C 0.738 178.030 177.300 -0.013 0.000 1.748 292 P CA 0.170 63.339 63.100 0.116 0.000 0.909 292 P CB 0.496 32.294 31.700 0.163 0.000 1.882 293 S N 1.329 116.993 115.700 -0.059 0.000 2.474 293 S HA -0.308 4.162 4.470 0.000 0.000 0.267 293 S C 1.161 175.719 174.600 -0.070 0.000 1.360 293 S CA 2.232 60.374 58.200 -0.096 0.000 1.530 293 S CB -1.479 61.607 63.200 -0.190 0.000 2.034 293 S HN 0.302 nan 8.310 nan 0.000 0.755 294 D N 0.570 120.940 120.400 -0.050 0.000 2.403 294 D HA 0.104 4.744 4.640 0.000 0.000 0.227 294 D C 0.328 176.613 176.300 -0.024 0.000 0.995 294 D CA 0.769 54.747 54.000 -0.037 0.000 0.928 294 D CB -0.357 40.431 40.800 -0.021 0.000 0.887 294 D HN 0.554 nan 8.370 nan 0.000 0.529 295 I N 0.397 120.955 120.570 -0.021 0.000 2.557 295 I HA 0.215 4.385 4.170 0.000 0.000 0.277 295 I C 1.035 177.141 176.117 -0.019 0.000 1.106 295 I CA -0.662 60.630 61.300 -0.013 0.000 1.180 295 I CB 1.179 39.178 38.000 -0.002 0.000 1.392 295 I HN -0.208 nan 8.210 nan 0.000 0.506 296 A N 2.421 125.227 122.820 -0.022 0.000 2.264 296 A HA -0.045 4.275 4.320 0.000 0.000 0.207 296 A C 0.778 178.353 177.584 -0.016 0.000 1.196 296 A CA 0.507 52.529 52.037 -0.025 0.000 0.778 296 A CB -0.626 18.360 19.000 -0.024 0.000 0.779 296 A HN 0.568 nan 8.150 nan 0.000 0.483 297 D N 1.143 121.537 120.400 -0.010 0.000 2.470 297 D HA 0.333 4.973 4.640 0.000 0.000 0.226 297 D C -0.577 175.721 176.300 -0.002 0.000 1.196 297 D CA 0.507 54.505 54.000 -0.003 0.000 0.979 297 D CB 0.369 41.170 40.800 0.000 0.000 1.059 297 D HN 0.047 nan 8.370 nan 0.000 0.515 298 V N 3.036 122.947 119.914 -0.004 0.000 3.365 298 V HA -0.248 3.872 4.120 0.000 0.000 0.467 298 V C -0.153 175.933 176.094 -0.013 0.000 0.682 298 V CA 0.247 62.544 62.300 -0.006 0.000 1.992 298 V CB -1.121 30.703 31.823 0.001 0.000 2.445 298 V HN 0.453 nan 8.190 nan 0.000 0.497 299 I N 5.406 125.964 120.570 -0.020 0.000 2.603 299 I HA 0.727 4.897 4.170 0.000 0.000 0.300 299 I C -0.581 175.519 176.117 -0.029 0.000 1.017 299 I CA -1.012 60.268 61.300 -0.033 0.000 1.098 299 I CB 1.991 39.963 38.000 -0.046 0.000 1.279 299 I HN 0.323 nan 8.210 nan 0.000 0.437 300 L N 4.652 125.854 121.223 -0.035 0.000 2.341 300 L HA 0.517 4.857 4.340 0.000 0.000 0.278 300 L C -0.370 176.481 176.870 -0.032 0.000 1.005 300 L CA -0.328 54.497 54.840 -0.025 0.000 0.818 300 L CB 1.418 43.467 42.059 -0.016 0.000 1.259 300 L HN 0.533 nan 8.230 nan 0.000 0.418 301 E N 0.756 120.945 120.200 -0.018 0.000 2.266 301 E HA 0.816 5.166 4.350 0.000 0.000 0.268 301 E C -0.725 175.884 176.600 0.015 0.000 0.879 301 E CA -0.598 55.795 56.400 -0.012 0.000 0.762 301 E CB 2.219 31.905 29.700 -0.023 0.000 1.199 301 E HN 0.735 nan 8.360 nan 0.000 0.422 302 G N 1.888 110.714 108.800 0.042 0.000 2.606 302 G HA2 0.206 4.166 3.960 0.000 0.000 0.300 302 G HA3 0.206 4.166 3.960 0.000 0.000 0.300 302 G C -1.557 173.385 174.900 0.069 0.000 1.360 302 G CA -0.727 44.402 45.100 0.048 0.000 0.783 302 G HN 0.493 nan 8.290 nan 0.000 0.484 303 E N 0.265 120.497 120.200 0.053 0.000 2.134 303 E HA 0.473 4.823 4.350 0.000 0.000 0.278 303 E C -0.180 176.448 176.600 0.048 0.000 0.959 303 E CA -0.561 55.871 56.400 0.053 0.000 0.783 303 E CB 1.580 31.301 29.700 0.035 0.000 1.095 303 E HN 0.227 nan 8.360 nan 0.000 0.399 304 V N 5.435 125.379 119.914 0.049 0.000 2.644 304 V HA -0.132 3.989 4.120 0.000 0.000 0.305 304 V C 0.936 177.037 176.094 0.011 0.000 1.053 304 V CA 0.595 62.903 62.300 0.014 0.000 1.186 304 V CB 0.950 32.766 31.823 -0.012 0.000 0.895 304 V HN 0.811 nan 8.190 nan 0.000 0.490 305 Q N 3.799 123.608 119.800 0.016 0.000 2.530 305 Q HA 0.271 4.611 4.340 0.000 0.000 0.198 305 Q C 0.135 176.112 176.000 -0.038 0.000 0.956 305 Q CA 0.627 56.433 55.803 0.006 0.000 0.870 305 Q CB 0.250 29.010 28.738 0.037 0.000 1.050 305 Q HN 0.578 nan 8.270 nan 0.000 0.604 306 V N 1.205 121.081 119.914 -0.064 0.000 2.732 306 V HA 0.490 4.610 4.120 0.000 0.000 0.310 306 V C -0.200 175.809 176.094 -0.142 0.000 1.053 306 V CA -0.667 61.505 62.300 -0.214 0.000 0.957 306 V CB 2.171 33.584 31.823 -0.683 0.000 1.018 306 V HN 0.035 nan 8.190 nan 0.000 0.452 307 V N 2.803 122.632 119.914 -0.141 0.000 2.629 307 V HA 0.281 4.401 4.120 0.000 0.000 0.263 307 V C -0.453 175.594 176.094 -0.078 0.000 0.959 307 V CA -0.558 61.692 62.300 -0.083 0.000 0.869 307 V CB 1.077 32.858 31.823 -0.069 0.000 1.060 307 V HN 0.966 nan 8.190 nan 0.000 0.474 308 E N 3.504 123.665 120.200 -0.066 0.000 2.167 308 E HA 0.387 4.737 4.350 0.000 0.000 0.284 308 E C -0.547 176.034 176.600 -0.032 0.000 1.016 308 E CA -0.531 55.838 56.400 -0.052 0.000 0.817 308 E CB 1.174 30.849 29.700 -0.042 0.000 1.080 308 E HN 0.457 nan 8.360 nan 0.000 0.397 309 Q N 3.235 123.016 119.800 -0.031 0.000 2.390 309 Q HA 0.190 4.531 4.340 0.000 0.000 0.249 309 Q C 0.398 176.385 176.000 -0.022 0.000 0.996 309 Q CA -0.066 55.723 55.803 -0.024 0.000 0.899 309 Q CB 1.129 29.855 28.738 -0.020 0.000 1.216 309 Q HN 0.626 nan 8.270 nan 0.000 0.465 310 L N 0.304 121.514 121.223 -0.022 0.000 2.607 310 L HA 0.185 4.525 4.340 0.000 0.000 0.228 310 L C 1.302 178.161 176.870 -0.019 0.000 1.123 310 L CA 0.414 55.241 54.840 -0.022 0.000 0.890 310 L CB 0.016 42.060 42.059 -0.025 0.000 1.103 310 L HN 0.926 nan 8.230 nan 0.000 0.468 311 G N 1.703 110.493 108.800 -0.017 0.000 3.757 311 G HA2 -0.381 3.579 3.960 0.000 0.000 0.215 311 G HA3 -0.381 3.579 3.960 0.000 0.000 0.215 311 G C 0.970 175.862 174.900 -0.014 0.000 1.411 311 G CA 0.389 45.481 45.100 -0.013 0.000 0.896 311 G HN 0.470 nan 8.290 nan 0.000 0.581 312 N N 2.638 121.328 118.700 -0.018 0.000 2.422 312 N HA 0.135 4.875 4.740 0.000 0.000 0.181 312 N C 0.672 176.167 175.510 -0.024 0.000 1.080 312 N CA 1.612 54.651 53.050 -0.019 0.000 0.893 312 N CB 0.203 38.678 38.487 -0.021 0.000 0.973 312 N HN 0.907 nan 8.380 nan 0.000 0.456 313 E N -0.834 119.349 120.200 -0.029 0.000 2.425 313 E HA 0.474 4.824 4.350 0.000 0.000 0.272 313 E C -1.589 174.987 176.600 -0.039 0.000 1.061 313 E CA -0.953 55.423 56.400 -0.040 0.000 0.877 313 E CB 1.192 30.858 29.700 -0.057 0.000 1.590 313 E HN -0.044 nan 8.360 nan 0.000 0.462 314 T N 0.484 115.006 114.554 -0.053 0.000 3.071 314 T HA 0.337 4.687 4.350 0.000 0.000 0.311 314 T C -1.046 173.616 174.700 -0.063 0.000 1.042 314 T CA -0.928 61.146 62.100 -0.044 0.000 1.028 314 T CB 1.441 70.293 68.868 -0.027 0.000 1.068 314 T HN 0.420 nan 8.240 nan 0.000 0.451 315 Q N 2.606 122.389 119.800 -0.028 0.000 2.307 315 Q HA 0.590 4.930 4.340 0.000 0.000 0.262 315 Q C -0.781 175.263 176.000 0.073 0.000 0.961 315 Q CA -1.052 54.757 55.803 0.010 0.000 0.882 315 Q CB 2.038 30.806 28.738 0.051 0.000 1.264 315 Q HN 0.515 nan 8.270 nan 0.000 0.446 316 I N 2.173 122.800 120.570 0.095 0.000 2.418 316 I HA 0.292 4.462 4.170 0.000 0.000 0.287 316 I C -0.152 176.062 176.117 0.163 0.000 1.008 316 I CA -0.545 60.798 61.300 0.072 0.000 1.104 316 I CB 1.156 39.072 38.000 -0.141 0.000 1.264 316 I HN 0.569 nan 8.210 nan 0.000 0.438 317 H N 6.544 125.583 119.070 -0.052 0.000 2.652 317 H HA 0.512 5.068 4.556 0.000 0.000 0.298 317 H C -0.480 174.829 175.328 -0.032 0.000 1.076 317 H CA -0.484 55.547 56.048 -0.027 0.000 1.360 317 H CB 2.039 31.787 29.762 -0.024 0.000 1.421 317 H HN 0.421 nan 8.280 nan 0.000 0.464 318 I N 3.361 123.971 120.570 0.066 0.000 2.355 318 I HA 0.058 4.228 4.170 0.000 0.000 0.288 318 I C 0.166 176.308 176.117 0.042 0.000 0.999 318 I CA -0.465 60.861 61.300 0.044 0.000 1.163 318 I CB 1.778 39.799 38.000 0.036 0.000 1.316 318 I HN 0.455 nan 8.210 nan 0.000 0.454 319 Q N 6.845 126.671 119.800 0.044 0.000 2.295 319 Q HA 0.442 4.782 4.340 0.000 0.000 0.259 319 Q C -1.038 174.979 176.000 0.029 0.000 0.976 319 Q CA -0.142 55.682 55.803 0.035 0.000 0.923 319 Q CB 1.228 29.986 28.738 0.033 0.000 1.185 319 Q HN 0.597 nan 8.270 nan 0.000 0.410 320 I N 6.900 127.485 120.570 0.024 0.000 2.404 320 I HA 0.315 4.485 4.170 0.000 0.000 0.293 320 I C -2.109 174.018 176.117 0.017 0.000 0.992 320 I CA -2.615 58.697 61.300 0.020 0.000 1.149 320 I CB 2.034 40.044 38.000 0.017 0.000 1.315 320 I HN 0.481 nan 8.210 nan 0.000 0.446 321 P HA 0.019 nan 4.420 nan 0.000 0.267 321 P C 0.102 177.408 177.300 0.011 0.000 1.209 321 P CA 0.343 63.450 63.100 0.012 0.000 0.763 321 P CB 0.580 32.285 31.700 0.009 0.000 0.816 322 S N 1.860 117.567 115.700 0.011 0.000 3.909 322 S HA -0.148 4.322 4.470 0.000 0.000 0.326 322 S C -0.177 174.431 174.600 0.015 0.000 1.083 322 S CA 0.382 58.589 58.200 0.011 0.000 0.939 322 S CB -2.843 60.362 63.200 0.008 0.000 0.886 322 S HN 0.492 nan 8.310 nan 0.000 0.496 323 I N 0.125 120.705 120.570 0.017 0.000 2.606 323 I HA 0.290 4.460 4.170 0.000 0.000 0.275 323 I C 0.963 177.093 176.117 0.022 0.000 1.220 323 I CA -0.860 60.453 61.300 0.022 0.000 1.098 323 I CB 1.248 39.262 38.000 0.024 0.000 1.321 323 I HN 0.242 nan 8.210 nan 0.000 0.468 324 R N 3.187 123.699 120.500 0.021 0.000 2.249 324 R HA -0.204 4.136 4.340 0.000 0.000 0.229 324 R C 0.926 177.240 176.300 0.023 0.000 1.104 324 R CA 2.185 58.297 56.100 0.020 0.000 0.876 324 R CB -0.010 30.302 30.300 0.018 0.000 0.871 324 R HN 0.589 nan 8.270 nan 0.000 0.426 325 Q N 0.446 120.262 119.800 0.027 0.000 2.443 325 Q HA 0.056 4.396 4.340 0.000 0.000 0.232 325 Q C -0.312 175.703 176.000 0.026 0.000 1.026 325 Q CA -0.419 55.401 55.803 0.028 0.000 0.924 325 Q CB 0.611 29.368 28.738 0.032 0.000 1.256 325 Q HN 0.389 nan 8.270 nan 0.000 0.519 326 N N 0.669 119.384 118.700 0.026 0.000 2.290 326 N HA 0.214 4.954 4.740 0.000 0.000 0.269 326 N C -0.734 174.768 175.510 -0.013 0.000 1.295 326 N CA 0.088 53.150 53.050 0.020 0.000 0.932 326 N CB 0.354 38.871 38.487 0.049 0.000 1.128 326 N HN 0.354 nan 8.380 nan 0.000 0.532 327 L N 0.980 122.186 121.223 -0.030 0.000 2.471 327 L HA 0.289 4.629 4.340 0.000 0.000 0.263 327 L C -1.128 175.692 176.870 -0.083 0.000 0.985 327 L CA -0.497 54.313 54.840 -0.049 0.000 0.868 327 L CB 1.336 43.388 42.059 -0.012 0.000 1.203 327 L HN 0.117 nan 8.230 nan 0.000 0.429 328 V N 4.011 123.820 119.914 -0.175 0.000 2.686 328 V HA 0.190 4.310 4.120 0.000 0.000 0.295 328 V C -0.744 175.340 176.094 -0.016 0.000 1.055 328 V CA -0.104 62.057 62.300 -0.233 0.000 1.050 328 V CB 1.151 32.742 31.823 -0.386 0.000 0.984 328 V HN 0.614 nan 8.190 nan 0.000 0.482 329 Y N 4.790 125.015 120.300 -0.125 0.000 2.386 329 Y HA 0.572 5.122 4.550 0.000 0.000 0.334 329 Y C -0.078 175.792 175.900 -0.049 0.000 1.002 329 Y CA -1.123 56.940 58.100 -0.062 0.000 1.068 329 Y CB 1.348 39.790 38.460 -0.030 0.000 1.203 329 Y HN 0.598 nan 8.280 nan 0.000 0.443 330 R N 5.049 125.251 120.500 -0.498 0.000 2.346 330 R HA 0.428 4.768 4.340 0.000 0.000 0.311 330 R C -1.150 174.734 176.300 -0.693 0.000 0.983 330 R CA -0.880 54.954 56.100 -0.443 0.000 0.880 330 R CB 1.922 32.075 30.300 -0.246 0.000 1.100 330 R HN 0.752 nan 8.270 nan 0.000 0.453 331 Q N 1.976 121.504 119.800 -0.452 0.000 2.359 331 Q HA 0.193 4.533 4.340 0.000 0.000 0.274 331 Q C -1.234 174.692 176.000 -0.124 0.000 1.074 331 Q CA -0.713 54.909 55.803 -0.301 0.000 0.810 331 Q CB 2.234 30.865 28.738 -0.179 0.000 1.342 331 Q HN 0.563 nan 8.270 nan 0.000 0.427 332 N N 3.334 121.992 118.700 -0.070 0.000 2.530 332 N HA 0.052 4.792 4.740 0.000 0.000 0.273 332 N C -0.491 175.012 175.510 -0.010 0.000 1.173 332 N CA 0.806 53.835 53.050 -0.035 0.000 0.967 332 N CB 0.580 39.056 38.487 -0.018 0.000 1.109 332 N HN 0.900 nan 8.380 nan 0.000 0.453 333 D N -0.272 120.121 120.400 -0.011 0.000 3.903 333 D HA -0.250 4.390 4.640 0.000 0.000 0.188 333 D C 1.070 177.371 176.300 0.001 0.000 1.213 333 D CA 1.399 55.399 54.000 -0.001 0.000 1.078 333 D CB -0.590 40.217 40.800 0.011 0.000 0.620 333 D HN 0.254 nan 8.370 nan 0.000 0.724 334 V N -0.963 118.958 119.914 0.011 0.000 2.325 334 V HA 0.297 4.417 4.120 0.000 0.000 0.229 334 V C 1.363 177.472 176.094 0.024 0.000 1.062 334 V CA 1.329 63.637 62.300 0.013 0.000 1.039 334 V CB -0.964 30.869 31.823 0.016 0.000 0.667 334 V HN 1.042 nan 8.190 nan 0.000 0.474 335 V N 1.597 121.537 119.914 0.044 0.000 3.865 335 V HA -0.153 3.967 4.120 0.000 0.000 0.463 335 V C -0.711 175.413 176.094 0.050 0.000 0.682 335 V CA 0.534 62.877 62.300 0.071 0.000 1.913 335 V CB -2.009 29.869 31.823 0.092 0.000 2.326 335 V HN 0.680 nan 8.190 nan 0.000 0.496 336 L N 5.483 126.739 121.223 0.055 0.000 2.260 336 L HA 0.834 5.174 4.340 0.000 0.000 0.289 336 L C -0.003 176.899 176.870 0.053 0.000 1.057 336 L CA -0.110 54.753 54.840 0.039 0.000 0.811 336 L CB 1.484 43.563 42.059 0.034 0.000 1.184 336 L HN 0.383 nan 8.230 nan 0.000 0.429 337 V N 1.923 121.853 119.914 0.028 0.000 2.668 337 V HA 0.415 4.535 4.120 0.000 0.000 0.304 337 V C -0.205 175.894 176.094 0.008 0.000 1.071 337 V CA -0.784 61.536 62.300 0.034 0.000 0.894 337 V CB 1.895 33.720 31.823 0.003 0.000 1.008 337 V HN 0.606 nan 8.190 nan 0.000 0.425 338 E N 2.552 122.765 120.200 0.022 0.000 2.349 338 E HA 0.350 4.700 4.350 0.000 0.000 0.265 338 E C 0.170 176.774 176.600 0.006 0.000 1.064 338 E CA -0.364 56.041 56.400 0.009 0.000 0.886 338 E CB 1.256 30.964 29.700 0.014 0.000 1.036 338 E HN 0.731 nan 8.360 nan 0.000 0.413 339 E N -0.157 120.040 120.200 -0.004 0.000 2.455 339 E HA 0.134 4.484 4.350 0.000 0.000 0.259 339 E C 0.931 177.537 176.600 0.010 0.000 1.245 339 E CA 0.412 56.809 56.400 -0.005 0.000 1.013 339 E CB 0.157 29.850 29.700 -0.013 0.000 0.978 339 E HN 0.758 nan 8.360 nan 0.000 0.479 340 G N -0.126 108.682 108.800 0.013 0.000 2.284 340 G HA2 -0.391 3.569 3.960 0.000 0.000 0.268 340 G HA3 -0.391 3.569 3.960 0.000 0.000 0.268 340 G C 0.498 175.417 174.900 0.032 0.000 0.980 340 G CA 0.547 45.659 45.100 0.019 0.000 0.631 340 G HN 0.832 nan 8.290 nan 0.000 0.548 341 A N -0.599 122.247 122.820 0.043 0.000 2.366 341 A HA 0.644 4.964 4.320 0.000 0.000 0.250 341 A C 0.749 178.386 177.584 0.090 0.000 1.099 341 A CA 1.269 53.346 52.037 0.068 0.000 0.794 341 A CB 0.415 19.471 19.000 0.093 0.000 1.056 341 A HN 1.149 nan 8.150 nan 0.000 0.499 342 T N 0.411 115.021 114.554 0.093 0.000 2.767 342 T HA 0.551 4.901 4.350 0.000 0.000 0.284 342 T C -1.174 173.611 174.700 0.141 0.000 0.973 342 T CA -0.098 62.054 62.100 0.087 0.000 0.996 342 T CB -0.407 68.481 68.868 0.033 0.000 0.927 342 T HN 0.399 nan 8.240 nan 0.000 0.456 343 F N 3.389 123.319 119.950 -0.034 0.000 2.563 343 F HA 0.748 5.275 4.527 0.000 0.000 0.316 343 F C -0.467 175.282 175.800 -0.086 0.000 1.076 343 F CA -0.756 57.209 58.000 -0.058 0.000 0.921 343 F CB 1.886 40.848 39.000 -0.062 0.000 1.209 343 F HN 0.693 nan 8.300 nan 0.000 0.462 344 A N 6.204 128.726 122.820 -0.498 0.000 2.371 344 A HA 0.833 5.153 4.320 0.000 0.000 0.311 344 A C -1.185 176.189 177.584 -0.350 0.000 1.068 344 A CA -0.607 51.252 52.037 -0.297 0.000 0.744 344 A CB 0.959 19.811 19.000 -0.248 0.000 1.239 344 A HN 0.782 nan 8.150 nan 0.000 0.435 345 I N -0.625 119.825 120.570 -0.199 0.000 3.002 345 I HA 0.926 5.096 4.170 0.000 0.000 0.310 345 I C 0.209 176.267 176.117 -0.099 0.000 1.087 345 I CA -1.220 59.956 61.300 -0.207 0.000 1.017 345 I CB 2.302 40.130 38.000 -0.287 0.000 1.226 345 I HN 0.634 nan 8.210 nan 0.000 0.443 346 G N 3.443 112.215 108.800 -0.046 0.000 2.356 346 G HA2 0.536 4.496 3.960 0.000 0.000 0.322 346 G HA3 0.536 4.496 3.960 0.000 0.000 0.322 346 G C -0.936 173.978 174.900 0.023 0.000 1.125 346 G CA -0.559 44.537 45.100 -0.007 0.000 0.885 346 G HN 0.580 nan 8.290 nan 0.000 0.467 347 L N 4.347 125.578 121.223 0.014 0.000 2.313 347 L HA 0.438 4.778 4.340 0.000 0.000 0.273 347 L C -2.390 174.489 176.870 0.015 0.000 1.028 347 L CA -1.879 52.976 54.840 0.024 0.000 0.871 347 L CB 1.696 43.763 42.059 0.014 0.000 1.242 347 L HN 0.226 nan 8.230 nan 0.000 0.434 348 P HA 0.278 nan 4.420 nan 0.000 0.271 348 P C -2.236 175.049 177.300 -0.025 0.000 1.226 348 P CA -1.184 61.908 63.100 -0.013 0.000 0.765 348 P CB 0.529 32.214 31.700 -0.025 0.000 0.835 349 P HA -0.151 nan 4.420 nan 0.000 0.219 349 P C 1.012 178.263 177.300 -0.081 0.000 1.150 349 P CA 1.310 64.391 63.100 -0.033 0.000 0.814 349 P CB 0.150 31.847 31.700 -0.006 0.000 0.787 350 E N -0.338 119.765 120.200 -0.161 0.000 2.038 350 E HA -0.184 4.166 4.350 0.000 0.000 0.195 350 E C 2.028 178.507 176.600 -0.203 0.000 1.000 350 E CA 1.189 57.410 56.400 -0.300 0.000 0.803 350 E CB -0.791 28.538 29.700 -0.618 0.000 0.750 350 E HN 0.017 nan 8.360 nan 0.000 0.448 351 R N -0.168 120.246 120.500 -0.142 0.000 2.285 351 R HA 0.077 4.417 4.340 0.000 0.000 0.213 351 R C -0.072 176.226 176.300 -0.003 0.000 1.068 351 R CA 0.160 56.230 56.100 -0.050 0.000 1.004 351 R CB -0.474 29.823 30.300 -0.006 0.000 0.873 351 R HN 0.176 nan 8.270 nan 0.000 0.467 352 C N 0.072 119.354 119.300 -0.029 0.000 2.595 352 C HA 0.260 4.720 4.460 0.000 0.000 0.384 352 C C 0.381 175.306 174.990 -0.108 0.000 1.289 352 C CA -0.630 58.407 59.018 0.032 0.000 2.372 352 C CB 0.184 27.940 27.740 0.027 0.000 2.593 352 C HN 0.472 nan 8.230 nan 0.000 0.639 353 H N -0.217 118.845 119.070 -0.014 0.000 2.737 353 H HA 0.847 5.403 4.556 0.000 0.000 0.358 353 H C -0.796 174.402 175.328 -0.216 0.000 1.187 353 H CA -0.689 55.280 56.048 -0.131 0.000 1.221 353 H CB 1.035 30.770 29.762 -0.044 0.000 1.799 353 H HN 0.483 nan 8.280 nan 0.000 0.568 354 L N 1.490 122.434 121.223 -0.466 0.000 2.543 354 L HA 0.433 4.773 4.340 0.000 0.000 0.265 354 L C -1.980 174.536 176.870 -0.591 0.000 0.945 354 L CA -0.301 54.352 54.840 -0.313 0.000 0.869 354 L CB 0.835 42.819 42.059 -0.125 0.000 1.294 354 L HN 0.457 nan 8.230 nan 0.000 0.405 355 F N 3.215 123.237 119.950 0.119 0.000 2.495 355 F HA 0.676 5.203 4.527 0.000 0.000 0.327 355 F C 0.615 176.450 175.800 0.058 0.000 1.103 355 F CA -0.750 57.304 58.000 0.092 0.000 0.949 355 F CB 1.509 40.563 39.000 0.091 0.000 1.142 355 F HN 0.326 nan 8.300 nan 0.000 0.457 356 R N 1.223 121.832 120.500 0.182 0.000 2.668 356 R HA 0.186 4.526 4.340 0.000 0.000 0.268 356 R C 0.964 177.333 176.300 0.115 0.000 1.232 356 R CA -0.598 55.570 56.100 0.113 0.000 1.166 356 R CB 0.428 30.773 30.300 0.077 0.000 1.179 356 R HN 0.717 nan 8.270 nan 0.000 0.606 357 E N 0.684 120.927 120.200 0.071 0.000 2.204 357 E HA -0.192 4.158 4.350 0.000 0.000 0.195 357 E C 0.992 177.620 176.600 0.047 0.000 0.990 357 E CA 0.985 57.415 56.400 0.050 0.000 0.821 357 E CB -0.043 29.676 29.700 0.032 0.000 0.750 357 E HN 0.454 nan 8.360 nan 0.000 0.477 358 D N -0.439 119.995 120.400 0.057 0.000 2.228 358 D HA -0.124 4.516 4.640 0.000 0.000 0.203 358 D C 1.494 177.833 176.300 0.066 0.000 0.988 358 D CA 1.496 55.528 54.000 0.053 0.000 0.864 358 D CB -0.167 40.670 40.800 0.061 0.000 0.928 358 D HN 0.395 nan 8.370 nan 0.000 0.469 359 G N -0.576 108.286 108.800 0.103 0.000 2.195 359 G HA2 -0.273 3.687 3.960 0.000 0.000 0.246 359 G HA3 -0.273 3.687 3.960 0.000 0.000 0.246 359 G C 0.536 175.584 174.900 0.247 0.000 0.984 359 G CA 0.631 45.798 45.100 0.111 0.000 0.633 359 G HN 0.501 nan 8.290 nan 0.000 0.525 360 T N -0.158 114.520 114.554 0.207 0.000 2.870 360 T HA 0.660 5.010 4.350 0.000 0.000 0.300 360 T C 0.575 175.416 174.700 0.235 0.000 0.989 360 T CA 0.462 62.684 62.100 0.204 0.000 1.139 360 T CB 1.953 70.890 68.868 0.115 0.000 0.920 360 T HN 1.697 nan 8.240 nan 0.000 0.537 361 A N 2.379 125.331 122.820 0.221 0.000 2.401 361 A HA 0.471 4.791 4.320 0.000 0.000 0.259 361 A C 0.549 178.105 177.584 -0.047 0.000 1.103 361 A CA -0.904 51.121 52.037 -0.020 0.000 0.789 361 A CB -0.079 18.960 19.000 0.065 0.000 1.035 361 A HN 1.050 nan 8.150 nan 0.000 0.491 362 C N 3.072 122.284 119.300 -0.147 0.000 2.322 362 C HA 0.402 4.862 4.460 0.000 0.000 0.343 362 C C 1.031 175.988 174.990 -0.055 0.000 1.190 362 C CA -0.539 58.435 59.018 -0.072 0.000 1.704 362 C CB -1.190 26.504 27.740 -0.077 0.000 2.293 362 C HN 0.966 nan 8.230 nan 0.000 0.523 363 R N 3.385 123.883 120.500 -0.004 0.000 2.486 363 R HA -0.058 4.282 4.340 0.000 0.000 0.304 363 R C 0.250 176.568 176.300 0.030 0.000 0.913 363 R CA 0.926 57.044 56.100 0.029 0.000 1.124 363 R CB 0.020 30.327 30.300 0.012 0.000 0.891 363 R HN 0.672 nan 8.270 nan 0.000 0.410 364 R N 4.765 125.318 120.500 0.087 0.000 2.537 364 R HA 0.051 4.391 4.340 0.000 0.000 0.280 364 R C 0.540 176.902 176.300 0.105 0.000 1.058 364 R CA -0.068 56.088 56.100 0.094 0.000 1.057 364 R CB 0.448 30.835 30.300 0.145 0.000 0.973 364 R HN 0.663 nan 8.270 nan 0.000 0.438 365 L N 1.519 122.791 121.223 0.082 0.000 2.607 365 L HA 0.133 4.473 4.340 0.000 0.000 0.228 365 L C 0.613 177.537 176.870 0.089 0.000 1.123 365 L CA -0.134 54.739 54.840 0.055 0.000 0.890 365 L CB -0.288 41.794 42.059 0.039 0.000 1.103 365 L HN 0.592 nan 8.230 nan 0.000 0.468 366 H N 2.136 121.227 119.070 0.034 0.000 2.548 366 H HA 0.251 4.807 4.556 0.000 0.000 0.331 366 H C -0.250 175.119 175.328 0.067 0.000 1.093 366 H CA -0.342 55.721 56.048 0.025 0.000 1.367 366 H CB 0.762 30.526 29.762 0.002 0.000 1.455 366 H HN -0.161 nan 8.280 nan 0.000 0.519 367 K N 4.672 124.821 120.400 -0.419 0.000 2.227 367 K HA 0.166 4.486 4.320 0.000 0.000 0.280 367 K C -0.293 176.076 176.600 -0.384 0.000 1.041 367 K CA -0.579 55.552 56.287 -0.260 0.000 0.905 367 K CB 1.178 33.555 32.500 -0.205 0.000 1.068 367 K HN 0.673 nan 8.250 nan 0.000 0.470 368 E N 4.085 124.204 120.200 -0.136 0.000 2.259 368 E HA 0.194 4.544 4.350 0.000 0.000 0.281 368 E C -2.000 174.504 176.600 -0.160 0.000 1.027 368 E CA -1.851 54.399 56.400 -0.250 0.000 0.838 368 E CB 0.886 30.186 29.700 -0.666 0.000 1.066 368 E HN 0.333 nan 8.360 nan 0.000 0.401 369 P HA 0.206 nan 4.420 nan 0.000 0.271 369 P C 0.178 177.480 177.300 0.003 0.000 1.233 369 P CA 0.191 63.264 63.100 -0.045 0.000 0.764 369 P CB 0.664 32.349 31.700 -0.024 0.000 0.825 370 G N 0.000 108.815 108.800 0.026 0.000 5.446 370 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 370 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 370 G CA 0.000 45.141 45.100 0.068 0.000 0.502 370 G HN 0.000 nan 8.290 nan 0.000 0.925