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 1h9x_1_B DATA FIRST_RESID 39 DATA SEQUENCE APGAPEGVSA LSDAQYNEAN KIYFERCAGC HGVLRKGATG KALTPDLTRD DATA SEQUENCE LGFDYLQSFI TYGSPAGMPN WGTSGELSAE QVDLMANYLL LDPAAPPEFG DATA SEQUENCE MKEMRESWKV HVAPEDRPTQ QENDWDLENL FSVTLRDAGQ IALIDGATYE DATA SEQUENCE IKSVLDTGYA VHISRLSASG RYLFVIGRDG KVNMIDLWMK EPTTVAEIKI DATA SEQUENCE GSEARSIETS KMEGWEDKYA IAGAYWPPQY VIMDGETLEP KKIQSTRGMT DATA SEQUENCE YDEQEYHPEP RVAAILASHY RPEFIVNVKE TGKILLVDYT DLDNLKTTEI DATA SEQUENCE SAERFLHDGG LDGSHRYFIT AANARNKLVV IDTKEGKLVA IEDTGGQTPH DATA SEQUENCE PGRGANFVHP TFGPVWATSH MGDDSVALIG TDPEGHPDNA WKILDSFPAL DATA SEQUENCE GGGSLFIKTH PNSQYLYVDA TLNPEAEISG SVAVFDIKAM TGDGSDPEFK DATA SEQUENCE TLPIAEWAGI TEGQPRVVQG EFNKDGTEVW FSVWNGKDQE SALVVVDDKT DATA SEQUENCE LELKHVIKDE RLVTPTGKFN VYNTMTDTY 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 39 A HA 0.000 nan 4.320 nan 0.000 0.244 39 A C 0.000 177.573 177.584 -0.019 0.000 1.274 39 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 39 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 40 P HA -0.037 nan 4.420 nan 0.000 0.216 40 P C 1.601 178.891 177.300 -0.017 0.000 1.150 40 P CA 2.143 65.232 63.100 -0.018 0.000 0.837 40 P CB -0.222 31.468 31.700 -0.017 0.000 0.786 41 G N -0.817 107.974 108.800 -0.015 0.000 2.650 41 G HA2 0.122 4.082 3.960 0.000 0.000 0.214 41 G HA3 0.122 4.082 3.960 0.000 0.000 0.214 41 G C 0.685 175.577 174.900 -0.013 0.000 1.136 41 G CA 0.391 45.482 45.100 -0.014 0.000 0.789 41 G HN 0.476 nan 8.290 nan 0.000 0.536 42 A N 0.711 123.523 122.820 -0.013 0.000 2.386 42 A HA 0.525 4.845 4.320 0.000 0.000 0.246 42 A C -0.418 177.159 177.584 -0.012 0.000 1.089 42 A CA -0.715 51.315 52.037 -0.012 0.000 0.790 42 A CB 0.528 19.520 19.000 -0.014 0.000 1.042 42 A HN 0.099 nan 8.150 nan 0.000 0.497 43 P HA -0.167 nan 4.420 nan 0.000 0.214 43 P C 0.883 178.177 177.300 -0.010 0.000 1.163 43 P CA 1.711 64.805 63.100 -0.009 0.000 0.889 43 P CB 0.060 31.755 31.700 -0.008 0.000 0.790 44 E N -0.501 119.692 120.200 -0.012 0.000 2.418 44 E HA 0.033 4.383 4.350 0.000 0.000 0.197 44 E C 1.198 177.790 176.600 -0.014 0.000 1.026 44 E CA 0.002 56.394 56.400 -0.013 0.000 0.862 44 E CB -0.568 29.122 29.700 -0.016 0.000 0.799 44 E HN 0.201 nan 8.360 nan 0.000 0.518 45 G N 1.780 110.572 108.800 -0.015 0.000 2.287 45 G HA2 0.133 4.093 3.960 0.000 0.000 0.235 45 G HA3 0.133 4.093 3.960 0.000 0.000 0.235 45 G C 0.123 175.015 174.900 -0.014 0.000 1.258 45 G CA -0.142 44.948 45.100 -0.015 0.000 0.884 45 G HN 0.069 nan 8.290 nan 0.000 0.518 46 V N 0.429 120.335 119.914 -0.013 0.000 2.555 46 V HA 0.661 4.781 4.120 0.000 0.000 0.302 46 V C 0.649 176.737 176.094 -0.010 0.000 1.038 46 V CA -0.921 61.374 62.300 -0.009 0.000 0.887 46 V CB 1.460 33.282 31.823 -0.000 0.000 0.991 46 V HN 0.896 nan 8.190 nan 0.000 0.434 47 S N 3.513 119.200 115.700 -0.021 0.000 2.946 47 S HA 0.291 4.761 4.470 0.000 0.000 0.349 47 S C 0.632 175.230 174.600 -0.005 0.000 1.189 47 S CA 0.181 58.358 58.200 -0.037 0.000 1.285 47 S CB -1.095 62.046 63.200 -0.097 0.000 1.010 47 S HN 1.840 nan 8.310 nan 0.000 0.538 48 A N 5.514 128.334 122.820 0.001 0.000 2.332 48 A HA 0.631 4.951 4.320 0.000 0.000 0.258 48 A C 0.013 177.623 177.584 0.043 0.000 1.087 48 A CA -0.531 51.521 52.037 0.025 0.000 0.802 48 A CB 0.303 19.310 19.000 0.011 0.000 1.042 48 A HN 0.876 nan 8.150 nan 0.000 0.489 49 L N 1.171 122.444 121.223 0.084 0.000 2.342 49 L HA 0.442 4.782 4.340 0.000 0.000 0.271 49 L C 0.830 177.758 176.870 0.096 0.000 1.008 49 L CA -0.705 54.202 54.840 0.112 0.000 0.818 49 L CB 1.933 44.109 42.059 0.195 0.000 1.296 49 L HN 0.892 nan 8.230 nan 0.000 0.427 50 S N -0.486 115.263 115.700 0.081 0.000 2.606 50 S HA 0.069 4.539 4.470 0.000 0.000 0.257 50 S C 0.537 175.195 174.600 0.096 0.000 1.327 50 S CA -0.593 57.645 58.200 0.063 0.000 0.984 50 S CB 0.794 64.025 63.200 0.052 0.000 0.941 50 S HN 0.624 nan 8.310 nan 0.000 0.576 51 D N 1.171 121.611 120.400 0.067 0.000 2.117 51 D HA -0.078 4.562 4.640 0.000 0.000 0.197 51 D C 2.214 178.599 176.300 0.142 0.000 0.987 51 D CA 1.756 55.807 54.000 0.084 0.000 0.829 51 D CB -0.871 39.953 40.800 0.039 0.000 0.961 51 D HN 0.685 nan 8.370 nan 0.000 0.460 52 A N 0.790 123.672 122.820 0.103 0.000 1.933 52 A HA -0.216 4.104 4.320 0.000 0.000 0.218 52 A C 2.152 179.802 177.584 0.109 0.000 1.175 52 A CA 1.341 53.436 52.037 0.097 0.000 0.628 52 A CB -0.546 18.493 19.000 0.065 0.000 0.814 52 A HN 0.202 nan 8.150 nan 0.000 0.444 53 Q N -2.212 117.657 119.800 0.116 0.000 2.119 53 Q HA -0.166 4.174 4.340 0.000 0.000 0.201 53 Q C 1.961 178.045 176.000 0.140 0.000 0.972 53 Q CA 1.616 57.482 55.803 0.105 0.000 0.847 53 Q CB -0.286 28.511 28.738 0.098 0.000 0.903 53 Q HN 0.833 nan 8.270 nan 0.000 0.433 54 Y N 1.739 122.092 120.300 0.089 0.000 2.181 54 Y HA -0.251 4.299 4.550 0.000 0.000 0.288 54 Y C 1.857 177.843 175.900 0.143 0.000 1.146 54 Y CA 1.478 59.666 58.100 0.146 0.000 1.164 54 Y CB -0.017 38.519 38.460 0.126 0.000 0.982 54 Y HN 0.145 nan 8.280 nan 0.000 0.515 55 N N 0.442 119.303 118.700 0.269 0.000 2.166 55 N HA -0.211 4.529 4.740 0.000 0.000 0.186 55 N C 1.864 177.409 175.510 0.059 0.000 1.019 55 N CA 1.620 54.778 53.050 0.180 0.000 0.856 55 N CB -0.436 38.147 38.487 0.160 0.000 0.993 55 N HN 0.610 nan 8.380 nan 0.000 0.426 56 E N 0.615 120.831 120.200 0.027 0.000 2.106 56 E HA -0.049 4.301 4.350 0.000 0.000 0.192 56 E C 1.743 178.272 176.600 -0.117 0.000 0.984 56 E CA 0.830 57.218 56.400 -0.020 0.000 0.806 56 E CB 0.048 29.744 29.700 -0.007 0.000 0.750 56 E HN 0.294 nan 8.360 nan 0.000 0.458 57 A N 1.024 123.724 122.820 -0.200 0.000 1.930 57 A HA -0.186 4.134 4.320 0.000 0.000 0.217 57 A C 1.944 179.060 177.584 -0.779 0.000 1.175 57 A CA 1.592 53.360 52.037 -0.449 0.000 0.627 57 A CB -0.682 18.069 19.000 -0.415 0.000 0.815 57 A HN 0.310 nan 8.150 nan 0.000 0.443 58 N N -0.097 118.262 118.700 -0.569 0.000 2.188 58 N HA -0.164 4.576 4.740 0.000 0.000 0.184 58 N C 1.724 177.239 175.510 0.008 0.000 1.018 58 N CA 1.795 54.667 53.050 -0.297 0.000 0.858 58 N CB -0.235 38.298 38.487 0.076 0.000 0.989 58 N HN 0.540 nan 8.380 nan 0.000 0.426 59 K N 0.236 120.644 120.400 0.013 0.000 2.057 59 K HA -0.053 4.267 4.320 0.000 0.000 0.206 59 K C 1.886 178.492 176.600 0.009 0.000 1.050 59 K CA 1.057 57.395 56.287 0.085 0.000 0.935 59 K CB -0.141 32.392 32.500 0.054 0.000 0.715 59 K HN 0.224 nan 8.250 nan 0.000 0.439 60 I N 0.371 120.865 120.570 -0.127 0.000 2.226 60 I HA -0.281 3.889 4.170 0.000 0.000 0.245 60 I C 2.319 178.283 176.117 -0.256 0.000 1.100 60 I CA 1.147 62.328 61.300 -0.197 0.000 1.374 60 I CB -0.360 37.480 38.000 -0.266 0.000 1.057 60 I HN 0.222 nan 8.210 nan 0.000 0.413 61 Y N 1.259 121.283 120.300 -0.460 0.000 2.070 61 Y HA -0.318 4.232 4.550 0.000 0.000 0.280 61 Y C 2.260 177.945 175.900 -0.359 0.000 1.148 61 Y CA 1.836 59.626 58.100 -0.516 0.000 1.125 61 Y CB -0.521 37.476 38.460 -0.773 0.000 0.975 61 Y HN -0.019 nan 8.280 nan 0.000 0.492 62 F N 0.567 120.503 119.950 -0.023 0.000 2.234 62 F HA -0.117 4.410 4.527 0.000 0.000 0.299 62 F C 2.334 178.112 175.800 -0.038 0.000 1.087 62 F CA 1.725 59.723 58.000 -0.003 0.000 1.340 62 F CB -0.496 38.596 39.000 0.153 0.000 1.031 62 F HN 0.163 nan 8.300 nan 0.000 0.500 63 E N -0.411 119.864 120.200 0.125 0.000 2.112 63 E HA -0.074 4.276 4.350 0.000 0.000 0.190 63 E C 1.855 178.468 176.600 0.022 0.000 0.979 63 E CA 0.866 57.324 56.400 0.097 0.000 0.814 63 E CB 0.009 29.772 29.700 0.106 0.000 0.762 63 E HN 0.372 nan 8.360 nan 0.000 0.460 64 R N -1.365 119.082 120.500 -0.089 0.000 2.469 64 R HA 0.204 4.544 4.340 0.000 0.000 0.250 64 R C 1.511 177.746 176.300 -0.107 0.000 0.909 64 R CA 0.047 56.109 56.100 -0.063 0.000 1.050 64 R CB 0.631 30.793 30.300 -0.231 0.000 1.256 64 R HN 0.111 nan 8.270 nan 0.000 0.550 65 C N -0.874 118.230 119.300 -0.326 0.000 2.628 65 C HA 0.377 4.837 4.460 0.000 0.000 0.393 65 C C 2.471 177.233 174.990 -0.379 0.000 1.328 65 C CA 0.124 58.945 59.018 -0.328 0.000 2.079 65 C CB 0.235 27.640 27.740 -0.557 0.000 2.663 65 C HN 0.489 nan 8.230 nan 0.000 0.557 66 A N 1.537 123.969 122.820 -0.647 0.000 2.070 66 A HA 0.136 4.456 4.320 0.000 0.000 0.220 66 A C 2.252 179.798 177.584 -0.063 0.000 1.159 66 A CA 1.875 53.698 52.037 -0.357 0.000 0.656 66 A CB -1.046 17.844 19.000 -0.183 0.000 0.800 66 A HN 0.577 nan 8.150 nan 0.000 0.453 67 G N -1.331 107.445 108.800 -0.040 0.000 2.432 67 G HA2 -0.202 3.758 3.960 0.000 0.000 0.219 67 G HA3 -0.202 3.758 3.960 0.000 0.000 0.219 67 G C 1.323 176.219 174.900 -0.007 0.000 1.135 67 G CA 1.481 46.583 45.100 0.003 0.000 0.767 67 G HN 0.543 nan 8.290 nan 0.000 0.550 68 C N -1.345 117.931 119.300 -0.039 0.000 2.935 68 C HA 0.336 4.796 4.460 0.000 0.000 0.308 68 C C 1.870 176.740 174.990 -0.200 0.000 1.263 68 C CA -0.241 58.702 59.018 -0.126 0.000 1.738 68 C CB -0.418 27.190 27.740 -0.220 0.000 2.237 68 C HN 0.477 nan 8.230 nan 0.000 0.600 69 H N 0.706 119.793 119.070 0.028 0.000 2.586 69 H HA 0.302 4.858 4.556 0.000 0.000 0.273 69 H C 1.269 176.671 175.328 0.123 0.000 0.997 69 H CA 1.233 57.330 56.048 0.082 0.000 1.177 69 H CB 0.305 30.140 29.762 0.123 0.000 1.471 69 H HN 0.527 nan 8.280 nan 0.000 0.538 70 G N 0.655 109.563 108.800 0.180 0.000 2.719 70 G HA2 -0.242 3.718 3.960 0.000 0.000 0.686 70 G HA3 -0.242 3.718 3.960 0.000 0.000 0.686 70 G C 1.037 176.075 174.900 0.230 0.000 1.201 70 G CA -0.072 45.137 45.100 0.183 0.000 0.768 70 G HN 0.220 nan 8.290 nan 0.000 0.629 71 V N -0.277 119.754 119.914 0.195 0.000 2.490 71 V HA 0.058 4.178 4.120 0.000 0.000 0.250 71 V C 2.374 178.584 176.094 0.193 0.000 1.061 71 V CA 2.210 64.659 62.300 0.247 0.000 1.064 71 V CB -0.536 31.246 31.823 -0.068 0.000 0.670 71 V HN 0.689 nan 8.190 nan 0.000 0.461 72 L N -0.300 120.967 121.223 0.075 0.000 2.700 72 L HA 0.403 4.743 4.340 0.000 0.000 0.234 72 L C 1.133 178.016 176.870 0.021 0.000 1.156 72 L CA -0.081 54.773 54.840 0.023 0.000 0.946 72 L CB -0.083 41.963 42.059 -0.022 0.000 1.216 72 L HN 0.333 nan 8.230 nan 0.000 0.493 73 R N -0.564 119.989 120.500 0.089 0.000 3.878 73 R HA -0.195 4.145 4.340 0.000 0.000 0.330 73 R C 0.667 177.015 176.300 0.079 0.000 1.186 73 R CA 0.609 56.765 56.100 0.093 0.000 0.885 73 R CB -1.947 28.304 30.300 -0.082 0.000 1.377 73 R HN 0.365 nan 8.270 nan 0.000 0.523 74 K N 1.019 121.469 120.400 0.083 0.000 2.487 74 K HA 0.132 4.452 4.320 0.000 0.000 0.192 74 K C 0.909 177.563 176.600 0.090 0.000 1.027 74 K CA 0.684 57.011 56.287 0.067 0.000 1.054 74 K CB 0.642 33.172 32.500 0.051 0.000 0.824 74 K HN 0.521 nan 8.250 nan 0.000 0.510 75 G N 0.182 109.062 108.800 0.133 0.000 2.719 75 G HA2 0.006 3.966 3.960 0.000 0.000 0.686 75 G HA3 0.006 3.966 3.960 0.000 0.000 0.686 75 G C -0.242 174.717 174.900 0.098 0.000 1.201 75 G CA -0.505 44.675 45.100 0.133 0.000 0.768 75 G HN 0.234 nan 8.290 nan 0.000 0.629 76 A N 0.668 123.524 122.820 0.060 0.000 1.958 76 A HA 0.798 5.118 4.320 0.000 0.000 0.185 76 A C 1.914 179.522 177.584 0.040 0.000 1.833 76 A CA 1.524 53.601 52.037 0.067 0.000 1.630 76 A CB -0.403 18.642 19.000 0.074 0.000 1.437 76 A HN 1.521 nan 8.150 nan 0.000 0.732 77 T N 0.387 114.943 114.554 0.003 0.000 2.978 77 T HA 0.277 4.627 4.350 0.000 0.000 0.262 77 T C 0.915 175.588 174.700 -0.045 0.000 1.063 77 T CA 1.059 63.166 62.100 0.012 0.000 1.140 77 T CB -0.324 68.557 68.868 0.022 0.000 0.886 77 T HN 0.715 nan 8.240 nan 0.000 0.470 78 G N 0.820 109.506 108.800 -0.190 0.000 2.437 78 G HA2 0.542 4.502 3.960 0.000 0.000 0.319 78 G HA3 0.542 4.502 3.960 0.000 0.000 0.319 78 G C -0.705 174.173 174.900 -0.037 0.000 1.158 78 G CA -0.629 44.276 45.100 -0.325 0.000 0.899 78 G HN 0.262 nan 8.290 nan 0.000 0.502 79 K N -0.021 120.465 120.400 0.142 0.000 2.276 79 K HA 0.409 4.729 4.320 0.000 0.000 0.259 79 K C 0.783 177.515 176.600 0.219 0.000 1.001 79 K CA -0.096 56.280 56.287 0.148 0.000 0.927 79 K CB 0.777 33.320 32.500 0.071 0.000 0.969 79 K HN 0.583 nan 8.250 nan 0.000 0.490 80 A N 2.336 125.221 122.820 0.109 0.000 2.540 80 A HA 0.080 4.400 4.320 0.000 0.000 0.239 80 A C 0.253 177.851 177.584 0.022 0.000 1.061 80 A CA 0.244 52.327 52.037 0.077 0.000 0.758 80 A CB -0.221 18.800 19.000 0.034 0.000 0.991 80 A HN 0.700 nan 8.150 nan 0.000 0.502 81 L N 2.936 124.154 121.223 -0.007 0.000 3.218 81 L HA 0.149 4.489 4.340 0.000 0.000 0.279 81 L C 0.654 177.459 176.870 -0.108 0.000 1.287 81 L CA -0.251 54.535 54.840 -0.090 0.000 1.024 81 L CB -0.202 41.764 42.059 -0.155 0.000 1.409 81 L HN 0.879 nan 8.230 nan 0.000 0.580 82 T N -3.798 110.709 114.554 -0.079 0.000 2.868 82 T HA 0.212 4.562 4.350 0.000 0.000 0.292 82 T C -1.748 172.897 174.700 -0.092 0.000 1.028 82 T CA -1.447 60.599 62.100 -0.089 0.000 1.059 82 T CB 1.093 69.926 68.868 -0.059 0.000 0.991 82 T HN -0.131 nan 8.240 nan 0.000 0.531 83 P HA -0.157 nan 4.420 nan 0.000 0.216 83 P C 1.467 178.728 177.300 -0.066 0.000 1.153 83 P CA 1.368 64.418 63.100 -0.083 0.000 0.858 83 P CB -0.098 31.555 31.700 -0.080 0.000 0.789 84 D N 0.049 120.415 120.400 -0.057 0.000 2.149 84 D HA -0.208 4.432 4.640 0.000 0.000 0.194 84 D C 1.787 178.054 176.300 -0.056 0.000 1.001 84 D CA 1.643 55.614 54.000 -0.048 0.000 0.849 84 D CB -1.206 39.570 40.800 -0.040 0.000 0.939 84 D HN 0.229 nan 8.370 nan 0.000 0.449 85 L N -0.380 120.803 121.223 -0.066 0.000 2.168 85 L HA 0.030 4.370 4.340 0.000 0.000 0.203 85 L C 2.715 179.520 176.870 -0.108 0.000 1.078 85 L CA 1.185 55.975 54.840 -0.083 0.000 0.780 85 L CB -0.581 41.430 42.059 -0.080 0.000 0.939 85 L HN -0.006 nan 8.230 nan 0.000 0.451 86 T N -0.386 114.108 114.554 -0.101 0.000 2.915 86 T HA -0.110 4.240 4.350 0.000 0.000 0.269 86 T C 2.015 176.668 174.700 -0.078 0.000 1.071 86 T CA 0.992 63.030 62.100 -0.104 0.000 1.132 86 T CB -0.126 68.687 68.868 -0.092 0.000 0.878 86 T HN 0.228 nan 8.240 nan 0.000 0.479 87 R N 1.028 121.492 120.500 -0.061 0.000 2.120 87 R HA -0.069 4.271 4.340 0.000 0.000 0.234 87 R C 1.792 178.068 176.300 -0.041 0.000 1.123 87 R CA 1.344 57.422 56.100 -0.036 0.000 0.975 87 R CB -0.181 30.101 30.300 -0.031 0.000 0.866 87 R HN 0.328 nan 8.270 nan 0.000 0.446 88 D N 0.343 120.701 120.400 -0.069 0.000 2.317 88 D HA -0.048 4.592 4.640 0.000 0.000 0.211 88 D C 1.804 178.023 176.300 -0.134 0.000 0.966 88 D CA 0.729 54.680 54.000 -0.081 0.000 0.876 88 D CB 0.103 40.853 40.800 -0.083 0.000 0.927 88 D HN 0.215 nan 8.370 nan 0.000 0.519 89 L N -0.119 120.982 121.223 -0.203 0.000 2.068 89 L HA 0.165 4.505 4.340 0.000 0.000 0.204 89 L C 1.279 178.095 176.870 -0.089 0.000 1.076 89 L CA 0.660 55.276 54.840 -0.374 0.000 0.753 89 L CB -0.658 41.054 42.059 -0.579 0.000 0.910 89 L HN 0.101 nan 8.230 nan 0.000 0.439 90 G N -1.054 107.741 108.800 -0.008 0.000 2.730 90 G HA2 -0.307 3.653 3.960 0.000 0.000 0.686 90 G HA3 -0.307 3.653 3.960 0.000 0.000 0.686 90 G C -0.048 174.948 174.900 0.161 0.000 1.343 90 G CA -0.064 45.092 45.100 0.093 0.000 0.826 90 G HN 0.088 nan 8.290 nan 0.000 0.582 91 F N 0.817 120.808 119.950 0.069 0.000 2.065 91 F HA -0.112 4.415 4.527 0.000 0.000 0.298 91 F C 2.272 178.141 175.800 0.115 0.000 1.112 91 F CA 2.961 61.009 58.000 0.079 0.000 1.212 91 F CB -0.255 38.778 39.000 0.056 0.000 0.975 91 F HN 0.584 nan 8.300 nan 0.000 0.476 92 D N -1.566 118.930 120.400 0.161 0.000 2.178 92 D HA -0.218 4.422 4.640 0.000 0.000 0.202 92 D C 1.868 178.198 176.300 0.051 0.000 0.974 92 D CA 1.428 55.465 54.000 0.061 0.000 0.841 92 D CB -0.461 40.446 40.800 0.179 0.000 0.953 92 D HN 0.440 nan 8.370 nan 0.000 0.478 93 Y N 1.349 121.652 120.300 0.004 0.000 2.114 93 Y HA -0.159 4.391 4.550 0.000 0.000 0.284 93 Y C 1.792 177.723 175.900 0.053 0.000 1.143 93 Y CA 1.330 59.464 58.100 0.056 0.000 1.135 93 Y CB -0.396 38.107 38.460 0.073 0.000 0.980 93 Y HN -0.067 nan 8.280 nan 0.000 0.499 94 L N 0.234 121.617 121.223 0.266 0.000 2.012 94 L HA -0.294 4.046 4.340 0.000 0.000 0.210 94 L C 2.715 179.564 176.870 -0.034 0.000 1.073 94 L CA 2.078 56.994 54.840 0.127 0.000 0.748 94 L CB -0.880 41.173 42.059 -0.011 0.000 0.891 94 L HN 0.327 nan 8.230 nan 0.000 0.431 95 Q N 0.288 119.929 119.800 -0.265 0.000 2.084 95 Q HA -0.221 4.119 4.340 0.000 0.000 0.202 95 Q C 2.306 178.233 176.000 -0.122 0.000 0.978 95 Q CA 2.340 57.966 55.803 -0.295 0.000 0.844 95 Q CB 0.010 28.435 28.738 -0.522 0.000 0.898 95 Q HN 0.634 nan 8.270 nan 0.000 0.426 96 S N -0.513 115.151 115.700 -0.060 0.000 2.371 96 S HA -0.103 4.367 4.470 0.000 0.000 0.224 96 S C 1.750 176.365 174.600 0.025 0.000 1.029 96 S CA 0.637 58.849 58.200 0.019 0.000 0.978 96 S CB -0.751 62.487 63.200 0.063 0.000 0.833 96 S HN 0.414 nan 8.310 nan 0.000 0.466 97 F N 2.242 122.132 119.950 -0.100 0.000 2.126 97 F HA 0.088 4.615 4.527 -0.000 0.000 0.299 97 F C 2.008 177.826 175.800 0.031 0.000 1.096 97 F CA 0.963 58.932 58.000 -0.052 0.000 1.255 97 F CB -0.389 38.581 39.000 -0.051 0.000 0.997 97 F HN 0.141 nan 8.300 nan 0.000 0.479 98 I N -1.326 119.385 120.570 0.235 0.000 2.546 98 I HA -0.248 3.922 4.170 0.000 0.000 0.255 98 I C 2.114 178.309 176.117 0.130 0.000 1.163 98 I CA 1.270 62.698 61.300 0.214 0.000 1.457 98 I CB -0.637 37.417 38.000 0.089 0.000 1.092 98 I HN 0.056 nan 8.210 nan 0.000 0.434 99 T N -0.372 114.148 114.554 -0.055 0.000 2.732 99 T HA -0.126 4.224 4.350 0.000 0.000 0.261 99 T C 1.538 176.028 174.700 -0.350 0.000 1.040 99 T CA 1.578 63.513 62.100 -0.275 0.000 1.145 99 T CB -0.222 68.289 68.868 -0.595 0.000 0.866 99 T HN 0.226 nan 8.240 nan 0.000 0.427 100 Y N 0.881 121.144 120.300 -0.062 0.000 2.509 100 Y HA 0.399 4.949 4.550 0.000 0.000 0.270 100 Y C 1.858 177.662 175.900 -0.159 0.000 1.103 100 Y CA -0.121 57.905 58.100 -0.122 0.000 1.278 100 Y CB -0.532 37.817 38.460 -0.186 0.000 1.087 100 Y HN 0.407 nan 8.280 nan 0.000 0.542 101 G N 0.742 109.521 108.800 -0.036 0.000 2.645 101 G HA2 -0.077 3.883 3.960 0.000 0.000 0.246 101 G HA3 -0.077 3.883 3.960 0.000 0.000 0.246 101 G C -0.185 174.587 174.900 -0.213 0.000 1.322 101 G CA 0.002 45.080 45.100 -0.038 0.000 0.898 101 G HN 0.886 nan 8.290 nan 0.000 0.573 102 S N -1.332 114.338 115.700 -0.050 0.000 2.588 102 S HA 0.760 5.230 4.470 0.000 0.000 0.269 102 S C -2.129 172.483 174.600 0.020 0.000 1.157 102 S CA 0.076 58.244 58.200 -0.053 0.000 0.824 102 S CB 2.288 65.490 63.200 0.002 0.000 1.126 102 S HN 0.777 nan 8.310 nan 0.000 0.464 103 P HA 0.146 nan 4.420 nan 0.000 0.234 103 P C 1.061 178.395 177.300 0.056 0.000 1.167 103 P CA 0.955 64.072 63.100 0.028 0.000 0.763 103 P CB -0.367 31.340 31.700 0.012 0.000 0.835 104 A N -0.377 122.492 122.820 0.082 0.000 2.235 104 A HA 0.421 4.741 4.320 0.000 0.000 0.208 104 A C 1.690 179.337 177.584 0.106 0.000 1.172 104 A CA 0.898 52.991 52.037 0.093 0.000 0.786 104 A CB -1.006 18.059 19.000 0.110 0.000 0.804 104 A HN 0.294 nan 8.150 nan 0.000 0.479 105 G N -2.320 106.536 108.800 0.093 0.000 2.260 105 G HA2 -0.131 3.829 3.960 0.000 0.000 0.179 105 G HA3 -0.131 3.829 3.960 0.000 0.000 0.179 105 G C 0.109 175.027 174.900 0.029 0.000 1.002 105 G CA 0.108 45.253 45.100 0.075 0.000 0.677 105 G HN 0.554 nan 8.290 nan 0.000 0.486 106 M N 2.959 122.607 119.600 0.080 0.000 2.143 106 M HA 0.582 5.062 4.480 0.000 0.000 0.348 106 M C -2.239 174.022 176.300 -0.066 0.000 1.375 106 M CA -3.092 52.269 55.300 0.101 0.000 1.124 106 M CB 0.376 33.184 32.600 0.347 0.000 1.669 106 M HN -0.038 nan 8.290 nan 0.000 0.469 107 P HA 0.051 nan 4.420 nan 0.000 0.268 107 P C -0.978 176.038 177.300 -0.473 0.000 1.208 107 P CA 0.164 62.835 63.100 -0.715 0.000 0.777 107 P CB 0.191 30.861 31.700 -1.717 0.000 0.875 108 N N 1.990 120.477 118.700 -0.355 0.000 3.188 108 N HA 0.006 4.746 4.740 0.000 0.000 0.279 108 N C 0.334 175.755 175.510 -0.148 0.000 1.213 108 N CA -0.331 52.623 53.050 -0.160 0.000 1.138 108 N CB -0.391 38.054 38.487 -0.069 0.000 1.417 108 N HN 0.484 nan 8.380 nan 0.000 0.526 109 W N 1.528 122.802 121.300 -0.042 0.000 2.318 109 W HA -0.080 4.580 4.660 0.000 0.000 0.313 109 W C 2.326 178.820 176.519 -0.042 0.000 1.221 109 W CA 1.438 58.768 57.345 -0.024 0.000 1.266 109 W CB -0.494 28.952 29.460 -0.024 0.000 1.150 109 W HN 0.477 nan 8.180 nan 0.000 0.496 110 G N -0.195 108.674 108.800 0.114 0.000 2.434 110 G HA2 -0.294 3.666 3.960 0.000 0.000 0.214 110 G HA3 -0.294 3.666 3.960 0.000 0.000 0.214 110 G C 1.444 176.319 174.900 -0.042 0.000 1.202 110 G CA 2.162 47.254 45.100 -0.013 0.000 0.788 110 G HN 0.293 nan 8.290 nan 0.000 0.539 111 T N -0.398 114.104 114.554 -0.087 0.000 3.007 111 T HA -0.069 4.281 4.350 0.000 0.000 0.270 111 T C 2.415 177.117 174.700 0.003 0.000 1.107 111 T CA 1.805 63.884 62.100 -0.036 0.000 1.118 111 T CB -0.315 68.554 68.868 0.000 0.000 0.889 111 T HN 0.407 nan 8.240 nan 0.000 0.506 112 S N 0.438 116.143 115.700 0.008 0.000 2.496 112 S HA 0.390 4.860 4.470 0.000 0.000 0.224 112 S C 2.055 176.682 174.600 0.045 0.000 0.996 112 S CA 0.508 58.721 58.200 0.022 0.000 0.927 112 S CB -0.672 62.533 63.200 0.009 0.000 0.774 112 S HN 1.261 nan 8.310 nan 0.000 0.524 113 G N 0.814 109.650 108.800 0.060 0.000 2.175 113 G HA2 -0.290 3.671 3.960 0.000 0.000 0.244 113 G HA3 -0.290 3.671 3.960 0.000 0.000 0.244 113 G C 0.536 175.503 174.900 0.112 0.000 0.982 113 G CA 0.480 45.621 45.100 0.070 0.000 0.641 113 G HN 0.472 nan 8.290 nan 0.000 0.527 114 E N -0.339 119.961 120.200 0.167 0.000 2.085 114 E HA 0.114 4.464 4.350 0.000 0.000 0.194 114 E C 1.230 178.008 176.600 0.296 0.000 0.994 114 E CA 1.041 57.610 56.400 0.281 0.000 0.801 114 E CB -0.028 29.932 29.700 0.433 0.000 0.743 114 E HN 0.622 nan 8.360 nan 0.000 0.453 115 L N 0.429 121.807 121.223 0.258 0.000 2.356 115 L HA 0.318 4.657 4.340 0.000 0.000 0.277 115 L C 0.123 177.045 176.870 0.086 0.000 0.996 115 L CA -0.943 53.978 54.840 0.135 0.000 0.822 115 L CB 1.860 43.965 42.059 0.076 0.000 1.256 115 L HN 0.004 nan 8.230 nan 0.000 0.413 116 S N 1.948 117.680 115.700 0.054 0.000 2.606 116 S HA 0.283 4.753 4.470 0.000 0.000 0.257 116 S C 1.376 175.994 174.600 0.030 0.000 1.327 116 S CA 0.089 58.313 58.200 0.041 0.000 0.984 116 S CB 1.271 64.491 63.200 0.034 0.000 0.941 116 S HN 0.715 nan 8.310 nan 0.000 0.576 117 A N 0.492 123.327 122.820 0.025 0.000 1.884 117 A HA -0.210 4.110 4.320 0.000 0.000 0.219 117 A C 2.199 179.802 177.584 0.032 0.000 1.197 117 A CA 2.140 54.191 52.037 0.022 0.000 0.637 117 A CB -1.514 17.500 19.000 0.024 0.000 0.827 117 A HN 1.014 nan 8.150 nan 0.000 0.450 118 E N -0.593 119.627 120.200 0.035 0.000 2.106 118 E HA -0.235 4.115 4.350 0.000 0.000 0.192 118 E C 2.190 178.810 176.600 0.033 0.000 0.984 118 E CA 1.192 57.617 56.400 0.042 0.000 0.806 118 E CB -0.155 29.567 29.700 0.037 0.000 0.750 118 E HN 0.785 nan 8.360 nan 0.000 0.458 119 Q N -0.089 119.719 119.800 0.012 0.000 2.135 119 Q HA -0.161 4.179 4.340 0.000 0.000 0.204 119 Q C 2.335 178.317 176.000 -0.029 0.000 0.981 119 Q CA 1.660 57.451 55.803 -0.019 0.000 0.856 119 Q CB 0.002 28.719 28.738 -0.036 0.000 0.902 119 Q HN 0.222 nan 8.270 nan 0.000 0.425 120 V N 1.779 121.685 119.914 -0.014 0.000 2.287 120 V HA -0.289 3.831 4.120 0.000 0.000 0.248 120 V C 1.626 177.717 176.094 -0.004 0.000 1.053 120 V CA 2.110 64.393 62.300 -0.027 0.000 1.027 120 V CB -0.581 31.226 31.823 -0.027 0.000 0.646 120 V HN 0.344 nan 8.190 nan 0.000 0.447 121 D N -0.113 120.329 120.400 0.070 0.000 2.097 121 D HA -0.139 4.500 4.640 0.000 0.000 0.195 121 D C 2.177 178.611 176.300 0.223 0.000 0.989 121 D CA 1.111 55.246 54.000 0.225 0.000 0.827 121 D CB -0.357 40.617 40.800 0.290 0.000 0.966 121 D HN 0.324 nan 8.370 nan 0.000 0.456 122 L N 0.201 121.493 121.223 0.114 0.000 1.990 122 L HA -0.237 4.103 4.340 0.000 0.000 0.213 122 L C 2.487 179.403 176.870 0.076 0.000 1.072 122 L CA 1.072 55.961 54.840 0.082 0.000 0.755 122 L CB -0.225 41.842 42.059 0.013 0.000 0.889 122 L HN 0.057 nan 8.230 nan 0.000 0.432 123 M N -0.994 118.605 119.600 -0.002 0.000 2.108 123 M HA -0.189 4.291 4.480 0.000 0.000 0.261 123 M C 2.510 178.849 176.300 0.064 0.000 1.066 123 M CA 2.036 57.321 55.300 -0.025 0.000 1.107 123 M CB -1.602 30.922 32.600 -0.126 0.000 1.356 123 M HN 0.343 nan 8.290 nan 0.000 0.406 124 A N 0.796 123.641 122.820 0.041 0.000 1.883 124 A HA -0.192 4.128 4.320 0.000 0.000 0.217 124 A C 2.099 179.798 177.584 0.193 0.000 1.186 124 A CA 1.860 53.909 52.037 0.020 0.000 0.624 124 A CB -0.807 18.021 19.000 -0.286 0.000 0.822 124 A HN 0.513 nan 8.150 nan 0.000 0.444 125 N N -1.362 117.531 118.700 0.321 0.000 2.069 125 N HA -0.201 4.539 4.740 0.000 0.000 0.191 125 N C 1.664 177.276 175.510 0.171 0.000 1.031 125 N CA 1.838 55.049 53.050 0.268 0.000 0.852 125 N CB -0.644 37.973 38.487 0.217 0.000 1.018 125 N HN 0.678 nan 8.380 nan 0.000 0.423 126 Y N 1.943 122.245 120.300 0.003 0.000 2.114 126 Y HA -0.127 4.423 4.550 -0.000 0.000 0.282 126 Y C 2.234 178.069 175.900 -0.108 0.000 1.165 126 Y CA 1.419 59.463 58.100 -0.094 0.000 1.148 126 Y CB -0.468 37.863 38.460 -0.214 0.000 0.972 126 Y HN -0.007 nan 8.280 nan 0.000 0.504 127 L N -0.190 121.036 121.223 0.005 0.000 2.353 127 L HA -0.214 4.126 4.340 0.000 0.000 0.220 127 L C 2.148 178.941 176.870 -0.128 0.000 1.133 127 L CA 0.757 55.526 54.840 -0.118 0.000 0.798 127 L CB -0.439 41.587 42.059 -0.055 0.000 0.922 127 L HN 0.358 nan 8.230 nan 0.000 0.445 128 L N -0.717 120.472 121.223 -0.058 0.000 2.313 128 L HA -0.026 4.314 4.340 0.000 0.000 0.214 128 L C 1.113 177.936 176.870 -0.077 0.000 1.119 128 L CA 0.194 55.010 54.840 -0.040 0.000 0.809 128 L CB -0.082 41.995 42.059 0.031 0.000 0.933 128 L HN 0.181 nan 8.230 nan 0.000 0.449 129 L N -0.741 120.411 121.223 -0.118 0.000 2.475 129 L HA 0.096 4.436 4.340 0.000 0.000 0.253 129 L C 0.280 177.052 176.870 -0.163 0.000 1.198 129 L CA -0.516 54.256 54.840 -0.113 0.000 0.814 129 L CB 0.189 42.220 42.059 -0.046 0.000 1.134 129 L HN 0.006 nan 8.230 nan 0.000 0.478 130 D N 0.561 120.894 120.400 -0.112 0.000 2.399 130 D HA 0.151 4.791 4.640 0.000 0.000 0.241 130 D C -2.180 174.036 176.300 -0.140 0.000 1.133 130 D CA -0.723 53.210 54.000 -0.111 0.000 0.890 130 D CB 0.636 41.392 40.800 -0.074 0.000 1.201 130 D HN 0.244 nan 8.370 nan 0.000 0.432 131 P HA 0.131 nan 4.420 nan 0.000 0.271 131 P C -0.633 176.654 177.300 -0.022 0.000 1.226 131 P CA -0.194 62.815 63.100 -0.153 0.000 0.765 131 P CB 0.526 32.154 31.700 -0.120 0.000 0.835 132 A N 3.632 126.489 122.820 0.063 0.000 2.386 132 A HA 0.488 4.808 4.320 0.000 0.000 0.246 132 A C 0.474 178.193 177.584 0.226 0.000 1.089 132 A CA -0.098 52.083 52.037 0.239 0.000 0.790 132 A CB -0.187 19.090 19.000 0.463 0.000 1.042 132 A HN 0.584 nan 8.150 nan 0.000 0.497 133 A N 2.080 125.001 122.820 0.168 0.000 2.454 133 A HA 0.549 4.869 4.320 0.000 0.000 0.260 133 A C -2.306 175.293 177.584 0.026 0.000 1.106 133 A CA -1.231 50.854 52.037 0.081 0.000 0.780 133 A CB -0.702 18.336 19.000 0.064 0.000 1.044 133 A HN 0.593 nan 8.150 nan 0.000 0.498 134 P HA 0.183 nan 4.420 nan 0.000 0.264 134 P C -2.295 174.926 177.300 -0.132 0.000 1.193 134 P CA -0.498 62.363 63.100 -0.400 0.000 0.763 134 P CB 0.196 31.390 31.700 -0.843 0.000 0.810 135 P HA 0.210 nan 4.420 nan 0.000 0.278 135 P C -0.307 177.156 177.300 0.272 0.000 1.258 135 P CA -0.287 62.812 63.100 0.000 0.000 0.811 135 P CB 1.036 32.642 31.700 -0.157 0.000 1.063 136 E N 0.024 120.320 120.200 0.161 0.000 2.342 136 E HA 0.311 4.661 4.350 0.000 0.000 0.257 136 E C -0.961 175.728 176.600 0.148 0.000 1.150 136 E CA -0.152 56.308 56.400 0.101 0.000 0.926 136 E CB 0.397 30.110 29.700 0.023 0.000 1.074 136 E HN 0.426 nan 8.360 nan 0.000 0.449 137 F N 0.305 120.216 119.950 -0.065 0.000 3.050 137 F HA 0.370 4.897 4.527 0.000 0.000 0.382 137 F C 0.145 175.906 175.800 -0.065 0.000 1.246 137 F CA -0.331 57.646 58.000 -0.039 0.000 1.217 137 F CB 0.609 39.599 39.000 -0.018 0.000 1.795 137 F HN 0.421 nan 8.300 nan 0.000 0.622 138 G N 2.169 110.881 108.800 -0.147 0.000 2.606 138 G HA2 0.259 4.219 3.960 0.000 0.000 0.262 138 G HA3 0.259 4.219 3.960 0.000 0.000 0.262 138 G C 0.779 175.588 174.900 -0.152 0.000 1.394 138 G CA -0.454 44.579 45.100 -0.111 0.000 1.044 138 G HN 0.542 nan 8.290 nan 0.000 0.553 139 M N -0.257 119.278 119.600 -0.109 0.000 2.080 139 M HA -0.045 4.435 4.480 0.000 0.000 0.260 139 M C 2.343 178.580 176.300 -0.105 0.000 1.068 139 M CA 2.025 57.267 55.300 -0.097 0.000 1.109 139 M CB -0.447 32.105 32.600 -0.081 0.000 1.342 139 M HN 0.610 nan 8.290 nan 0.000 0.405 140 K N -0.482 119.850 120.400 -0.114 0.000 2.032 140 K HA -0.233 4.087 4.320 0.000 0.000 0.209 140 K C 1.636 178.146 176.600 -0.150 0.000 1.048 140 K CA 2.145 58.372 56.287 -0.101 0.000 0.927 140 K CB -0.104 32.341 32.500 -0.092 0.000 0.712 140 K HN 0.440 nan 8.250 nan 0.000 0.441 141 E N 0.283 120.300 120.200 -0.304 0.000 2.107 141 E HA -0.124 4.226 4.350 0.000 0.000 0.191 141 E C 2.011 178.378 176.600 -0.388 0.000 0.982 141 E CA 1.383 57.479 56.400 -0.508 0.000 0.809 141 E CB -0.077 28.992 29.700 -1.052 0.000 0.756 141 E HN 0.313 nan 8.360 nan 0.000 0.459 142 M N 0.248 119.699 119.600 -0.249 0.000 2.086 142 M HA -0.143 4.337 4.480 0.000 0.000 0.261 142 M C 2.249 178.612 176.300 0.105 0.000 1.067 142 M CA 1.578 56.923 55.300 0.076 0.000 1.116 142 M CB -0.258 32.390 32.600 0.080 0.000 1.348 142 M HN 0.004 nan 8.290 nan 0.000 0.407 143 R N -0.030 120.506 120.500 0.060 0.000 2.096 143 R HA -0.159 4.181 4.340 0.000 0.000 0.235 143 R C 2.204 178.623 176.300 0.198 0.000 1.127 143 R CA 1.298 57.510 56.100 0.186 0.000 0.968 143 R CB -0.518 29.865 30.300 0.138 0.000 0.861 143 R HN 0.449 nan 8.270 nan 0.000 0.440 144 E N 1.033 121.286 120.200 0.089 0.000 2.153 144 E HA -0.169 4.181 4.350 0.000 0.000 0.194 144 E C 1.566 178.232 176.600 0.111 0.000 0.988 144 E CA 1.748 58.192 56.400 0.072 0.000 0.811 144 E CB 0.081 29.791 29.700 0.018 0.000 0.746 144 E HN 0.339 nan 8.360 nan 0.000 0.466 145 S N -0.790 115.007 115.700 0.162 0.000 2.528 145 S HA -0.058 4.412 4.470 0.000 0.000 0.219 145 S C 0.487 175.222 174.600 0.226 0.000 0.985 145 S CA -0.453 57.865 58.200 0.195 0.000 0.914 145 S CB -0.481 62.880 63.200 0.268 0.000 0.776 145 S HN 0.346 nan 8.310 nan 0.000 0.526 146 W N 3.522 124.838 121.300 0.026 0.000 2.356 146 W HA 0.519 5.179 4.660 -0.000 0.000 0.311 146 W C -0.610 175.879 176.519 -0.050 0.000 1.328 146 W CA -1.212 56.130 57.345 -0.007 0.000 1.251 146 W CB 0.116 29.572 29.460 -0.006 0.000 1.280 146 W HN -0.004 nan 8.180 nan 0.000 0.524 147 K N 4.905 125.152 120.400 -0.254 0.000 2.443 147 K HA 0.468 4.788 4.320 0.000 0.000 0.252 147 K C -1.424 174.765 176.600 -0.685 0.000 0.933 147 K CA -1.011 54.965 56.287 -0.519 0.000 0.792 147 K CB 2.357 34.613 32.500 -0.406 0.000 1.185 147 K HN 0.111 nan 8.250 nan 0.000 0.425 148 V N 5.021 124.512 119.914 -0.705 0.000 2.294 148 V HA 0.097 4.217 4.120 0.000 0.000 0.272 148 V C 0.756 176.625 176.094 -0.375 0.000 1.027 148 V CA -0.540 61.471 62.300 -0.480 0.000 0.823 148 V CB 0.461 32.049 31.823 -0.393 0.000 1.030 148 V HN 0.827 nan 8.190 nan 0.000 0.457 149 H N 3.004 122.018 119.070 -0.093 0.000 2.363 149 H HA 0.089 4.645 4.556 0.000 0.000 0.301 149 H C 0.455 175.752 175.328 -0.052 0.000 1.074 149 H CA 1.136 57.144 56.048 -0.065 0.000 1.354 149 H CB 0.522 30.260 29.762 -0.040 0.000 1.397 149 H HN 0.396 nan 8.280 nan 0.000 0.516 150 V N 1.396 121.345 119.914 0.059 0.000 2.409 150 V HA 0.476 4.596 4.120 0.000 0.000 0.290 150 V C 0.204 176.299 176.094 0.000 0.000 1.017 150 V CA -1.032 61.287 62.300 0.031 0.000 0.841 150 V CB 1.259 33.110 31.823 0.047 0.000 1.003 150 V HN 0.348 nan 8.190 nan 0.000 0.426 151 A N 6.855 129.667 122.820 -0.014 0.000 2.483 151 A HA 0.495 4.815 4.320 0.000 0.000 0.238 151 A C -1.137 176.453 177.584 0.009 0.000 1.070 151 A CA -0.807 51.221 52.037 -0.016 0.000 0.770 151 A CB 0.046 19.033 19.000 -0.021 0.000 1.008 151 A HN 0.673 nan 8.150 nan 0.000 0.497 152 P HA -0.183 nan 4.420 nan 0.000 0.216 152 P C 0.793 178.116 177.300 0.038 0.000 1.150 152 P CA 1.693 64.813 63.100 0.032 0.000 0.843 152 P CB 0.097 31.810 31.700 0.022 0.000 0.787 153 E N -0.237 119.979 120.200 0.025 0.000 2.118 153 E HA -0.173 4.177 4.350 0.000 0.000 0.195 153 E C 1.325 177.941 176.600 0.027 0.000 0.992 153 E CA 1.321 57.735 56.400 0.024 0.000 0.804 153 E CB -1.011 28.698 29.700 0.014 0.000 0.741 153 E HN 0.351 nan 8.360 nan 0.000 0.458 154 D N 0.210 120.625 120.400 0.024 0.000 2.349 154 D HA 0.035 4.675 4.640 0.000 0.000 0.224 154 D C 0.171 176.492 176.300 0.036 0.000 1.029 154 D CA 0.242 54.257 54.000 0.024 0.000 0.879 154 D CB 0.117 40.926 40.800 0.015 0.000 0.906 154 D HN 0.117 nan 8.370 nan 0.000 0.528 155 R N 0.907 121.439 120.500 0.052 0.000 2.549 155 R HA 0.413 4.753 4.340 0.000 0.000 0.267 155 R C -2.260 174.091 176.300 0.085 0.000 1.045 155 R CA -1.598 54.545 56.100 0.072 0.000 1.115 155 R CB 0.032 30.392 30.300 0.100 0.000 1.121 155 R HN -0.132 nan 8.270 nan 0.000 0.543 156 P HA -0.051 nan 4.420 nan 0.000 0.267 156 P C 0.320 177.738 177.300 0.198 0.000 1.201 156 P CA 0.296 63.469 63.100 0.121 0.000 0.775 156 P CB 0.504 32.287 31.700 0.138 0.000 0.854 157 T N -2.386 112.257 114.554 0.148 0.000 3.054 157 T HA 0.170 4.520 4.350 0.000 0.000 0.255 157 T C 0.318 175.105 174.700 0.146 0.000 1.035 157 T CA -0.149 62.060 62.100 0.181 0.000 0.941 157 T CB -0.226 68.694 68.868 0.086 0.000 1.026 157 T HN 0.643 nan 8.240 nan 0.000 0.533 158 Q N -0.105 119.662 119.800 -0.055 0.000 2.522 158 Q HA 0.327 4.667 4.340 0.000 0.000 0.285 158 Q C -1.365 174.167 176.000 -0.780 0.000 0.982 158 Q CA -1.136 54.307 55.803 -0.600 0.000 0.805 158 Q CB 1.030 29.533 28.738 -0.393 0.000 1.457 158 Q HN 0.158 nan 8.270 nan 0.000 0.394 159 Q N 0.823 119.804 119.800 -1.366 0.000 2.247 159 Q HA -0.034 4.306 4.340 0.000 0.000 0.288 159 Q C -0.355 175.383 176.000 -0.437 0.000 1.079 159 Q CA 0.707 55.931 55.803 -0.965 0.000 0.932 159 Q CB 0.523 28.715 28.738 -0.911 0.000 1.133 159 Q HN 0.713 nan 8.270 nan 0.000 0.377 160 E N 3.234 123.272 120.200 -0.271 0.000 2.465 160 E HA 0.057 4.407 4.350 0.000 0.000 0.195 160 E C -0.226 176.255 176.600 -0.199 0.000 1.028 160 E CA -0.113 56.171 56.400 -0.193 0.000 0.899 160 E CB 0.283 29.908 29.700 -0.125 0.000 1.032 160 E HN 0.651 nan 8.360 nan 0.000 0.468 161 N N 0.468 119.007 118.700 -0.267 0.000 2.619 161 N HA 0.099 4.839 4.740 0.000 0.000 0.294 161 N C -0.266 175.150 175.510 -0.156 0.000 1.279 161 N CA -0.452 52.419 53.050 -0.298 0.000 0.867 161 N CB 1.216 39.268 38.487 -0.725 0.000 1.329 161 N HN -0.184 nan 8.380 nan 0.000 0.557 162 D N -1.868 118.538 120.400 0.010 0.000 2.402 162 D HA 0.128 4.768 4.640 0.000 0.000 0.216 162 D C -0.474 175.978 176.300 0.254 0.000 1.128 162 D CA -0.491 53.571 54.000 0.103 0.000 0.833 162 D CB -0.152 40.707 40.800 0.099 0.000 0.971 162 D HN 0.355 nan 8.370 nan 0.000 0.503 163 W N 1.245 122.540 121.300 -0.008 0.000 2.123 163 W HA 0.269 4.929 4.660 0.000 0.000 0.351 163 W C 0.831 177.354 176.519 0.007 0.000 1.292 163 W CA -0.831 56.519 57.345 0.008 0.000 1.263 163 W CB -0.014 29.463 29.460 0.028 0.000 1.165 163 W HN -0.085 nan 8.180 nan 0.000 0.590 164 D N 2.244 122.784 120.400 0.234 0.000 2.563 164 D HA 0.109 4.749 4.640 0.000 0.000 0.222 164 D C 1.313 177.718 176.300 0.174 0.000 1.145 164 D CA 0.062 54.147 54.000 0.143 0.000 1.001 164 D CB -0.027 40.817 40.800 0.074 0.000 1.049 164 D HN 0.283 nan 8.370 nan 0.000 0.515 165 L N 1.601 122.950 121.223 0.210 0.000 2.013 165 L HA -0.198 4.142 4.340 0.000 0.000 0.212 165 L C 2.025 178.995 176.870 0.167 0.000 1.073 165 L CA 1.261 56.235 54.840 0.223 0.000 0.753 165 L CB -0.266 41.929 42.059 0.227 0.000 0.890 165 L HN 0.371 nan 8.230 nan 0.000 0.432 166 E N -0.365 119.925 120.200 0.150 0.000 2.338 166 E HA -0.193 4.157 4.350 0.000 0.000 0.197 166 E C 1.216 177.873 176.600 0.094 0.000 1.007 166 E CA 0.719 57.214 56.400 0.158 0.000 0.849 166 E CB -0.089 29.731 29.700 0.201 0.000 0.774 166 E HN 0.347 nan 8.360 nan 0.000 0.506 167 N N 0.213 118.949 118.700 0.061 0.000 2.230 167 N HA 0.026 4.766 4.740 0.000 0.000 0.202 167 N C -0.377 175.159 175.510 0.044 0.000 1.119 167 N CA -0.142 52.922 53.050 0.023 0.000 0.851 167 N CB 0.302 38.816 38.487 0.045 0.000 0.990 167 N HN -0.023 nan 8.380 nan 0.000 0.497 168 L N 0.647 121.908 121.223 0.063 0.000 2.467 168 L HA 0.310 4.650 4.340 0.000 0.000 0.270 168 L C -0.758 176.137 176.870 0.042 0.000 1.205 168 L CA 0.419 55.325 54.840 0.110 0.000 0.828 168 L CB 0.096 42.247 42.059 0.152 0.000 1.101 168 L HN -0.059 nan 8.230 nan 0.000 0.479 169 F N 1.867 121.741 119.950 -0.126 0.000 2.482 169 F HA 0.396 4.923 4.527 0.000 0.000 0.331 169 F C 0.274 176.050 175.800 -0.040 0.000 1.115 169 F CA -0.538 57.348 58.000 -0.191 0.000 0.955 169 F CB 1.906 40.608 39.000 -0.496 0.000 1.136 169 F HN 0.342 nan 8.300 nan 0.000 0.452 170 S N 3.049 118.852 115.700 0.172 0.000 2.448 170 S HA 0.688 5.158 4.470 0.000 0.000 0.320 170 S C -1.099 173.610 174.600 0.181 0.000 1.071 170 S CA -0.455 57.853 58.200 0.180 0.000 1.113 170 S CB 0.220 63.532 63.200 0.188 0.000 0.972 170 S HN 0.359 nan 8.310 nan 0.000 0.465 171 V N 5.370 125.369 119.914 0.142 0.000 2.384 171 V HA 0.377 4.497 4.120 0.000 0.000 0.287 171 V C 0.478 176.617 176.094 0.076 0.000 1.020 171 V CA -0.793 61.563 62.300 0.092 0.000 0.850 171 V CB 1.649 33.532 31.823 0.100 0.000 0.987 171 V HN 0.832 nan 8.190 nan 0.000 0.436 172 T N 6.736 121.320 114.554 0.051 0.000 2.834 172 T HA 0.339 4.689 4.350 0.000 0.000 0.298 172 T C 0.187 174.891 174.700 0.007 0.000 0.966 172 T CA 0.152 62.276 62.100 0.040 0.000 1.141 172 T CB 0.051 68.936 68.868 0.028 0.000 0.905 172 T HN 0.400 nan 8.240 nan 0.000 0.535 173 L N 4.803 126.045 121.223 0.032 0.000 2.417 173 L HA 0.366 4.706 4.340 0.000 0.000 0.258 173 L C 1.824 178.724 176.870 0.049 0.000 1.088 173 L CA -0.582 54.280 54.840 0.036 0.000 0.975 173 L CB 0.207 42.296 42.059 0.049 0.000 1.341 173 L HN 0.678 nan 8.230 nan 0.000 0.431 174 R N 1.244 121.760 120.500 0.026 0.000 2.179 174 R HA -0.228 4.112 4.340 0.000 0.000 0.238 174 R C 1.024 177.397 176.300 0.122 0.000 1.119 174 R CA 2.513 58.648 56.100 0.060 0.000 0.915 174 R CB 0.139 30.450 30.300 0.019 0.000 0.870 174 R HN 0.538 nan 8.270 nan 0.000 0.432 175 D N -0.913 119.575 120.400 0.146 0.000 2.349 175 D HA 0.031 4.671 4.640 0.000 0.000 0.224 175 D C 0.955 177.345 176.300 0.150 0.000 1.029 175 D CA 0.924 55.016 54.000 0.152 0.000 0.879 175 D CB 0.490 41.383 40.800 0.153 0.000 0.906 175 D HN 0.466 nan 8.370 nan 0.000 0.528 176 A N -0.120 122.775 122.820 0.124 0.000 2.195 176 A HA 0.413 4.733 4.320 0.000 0.000 0.210 176 A C 1.727 179.356 177.584 0.076 0.000 1.165 176 A CA 0.740 52.838 52.037 0.102 0.000 0.806 176 A CB -0.037 19.003 19.000 0.068 0.000 0.847 176 A HN 0.169 nan 8.150 nan 0.000 0.482 177 G N -0.622 108.232 108.800 0.091 0.000 2.221 177 G HA2 -0.236 3.724 3.960 0.000 0.000 0.265 177 G HA3 -0.236 3.724 3.960 0.000 0.000 0.265 177 G C -0.114 174.775 174.900 -0.019 0.000 1.041 177 G CA 0.694 45.806 45.100 0.019 0.000 0.807 177 G HN 0.682 nan 8.290 nan 0.000 0.502 178 Q N -1.435 118.377 119.800 0.020 0.000 2.544 178 Q HA 0.758 5.098 4.340 0.000 0.000 0.291 178 Q C -0.107 175.920 176.000 0.045 0.000 1.068 178 Q CA -1.002 54.815 55.803 0.023 0.000 0.785 178 Q CB 2.052 30.803 28.738 0.021 0.000 1.481 178 Q HN 0.736 nan 8.270 nan 0.000 0.430 179 I N -2.184 118.418 120.570 0.054 0.000 2.740 179 I HA 0.929 5.099 4.170 0.000 0.000 0.303 179 I C -1.103 175.059 176.117 0.076 0.000 1.044 179 I CA -0.893 60.450 61.300 0.072 0.000 1.064 179 I CB 2.117 40.169 38.000 0.086 0.000 1.249 179 I HN 0.542 nan 8.210 nan 0.000 0.433 180 A N 5.896 128.767 122.820 0.085 0.000 2.330 180 A HA 0.817 5.137 4.320 0.000 0.000 0.327 180 A C -0.775 176.871 177.584 0.103 0.000 1.155 180 A CA -0.645 51.443 52.037 0.084 0.000 0.803 180 A CB 0.859 19.905 19.000 0.078 0.000 1.208 180 A HN 0.787 nan 8.150 nan 0.000 0.477 181 L N 3.683 124.960 121.223 0.090 0.000 2.262 181 L HA 0.460 4.800 4.340 0.000 0.000 0.288 181 L C -0.757 176.122 176.870 0.015 0.000 1.035 181 L CA -0.005 54.889 54.840 0.089 0.000 0.820 181 L CB 0.676 42.821 42.059 0.144 0.000 1.204 181 L HN 0.563 nan 8.230 nan 0.000 0.424 182 I N 2.349 122.969 120.570 0.083 0.000 2.433 182 I HA 0.207 4.377 4.170 0.000 0.000 0.292 182 I C 0.026 176.212 176.117 0.115 0.000 1.001 182 I CA -0.700 60.661 61.300 0.101 0.000 1.119 182 I CB 2.122 40.272 38.000 0.250 0.000 1.289 182 I HN 0.518 nan 8.210 nan 0.000 0.438 183 D N 4.943 125.352 120.400 0.015 0.000 2.434 183 D HA -0.004 4.636 4.640 0.000 0.000 0.252 183 D C 1.177 177.549 176.300 0.120 0.000 1.185 183 D CA 0.295 54.291 54.000 -0.007 0.000 0.886 183 D CB 1.712 42.436 40.800 -0.127 0.000 1.148 183 D HN 0.826 nan 8.370 nan 0.000 0.483 184 G N 2.880 111.790 108.800 0.183 0.000 2.559 184 G HA2 -0.013 3.947 3.960 0.000 0.000 0.216 184 G HA3 -0.013 3.947 3.960 0.000 0.000 0.216 184 G C 1.026 175.990 174.900 0.107 0.000 1.126 184 G CA 0.799 46.088 45.100 0.316 0.000 0.778 184 G HN 0.574 nan 8.290 nan 0.000 0.543 185 A N -0.058 122.657 122.820 -0.176 0.000 2.026 185 A HA 0.236 4.556 4.320 0.000 0.000 0.198 185 A C 2.320 179.414 177.584 -0.817 0.000 1.390 185 A CA 1.573 53.366 52.037 -0.407 0.000 0.915 185 A CB -0.212 18.678 19.000 -0.183 0.000 0.974 185 A HN 0.359 nan 8.150 nan 0.000 0.477 186 T N -5.007 109.210 114.554 -0.560 0.000 3.081 186 T HA 0.110 4.460 4.350 0.000 0.000 0.250 186 T C 0.601 175.023 174.700 -0.465 0.000 1.100 186 T CA 0.856 62.667 62.100 -0.480 0.000 1.038 186 T CB -0.644 68.090 68.868 -0.225 0.000 0.962 186 T HN 0.686 nan 8.240 nan 0.000 0.516 187 Y N 1.256 121.479 120.300 -0.128 0.000 4.604 187 Y HA -0.251 4.299 4.550 0.000 0.000 0.230 187 Y C 0.321 176.167 175.900 -0.090 0.000 1.066 187 Y CA 0.211 58.215 58.100 -0.161 0.000 1.990 187 Y CB -2.893 35.273 38.460 -0.490 0.000 1.619 187 Y HN 0.767 nan 8.280 nan 0.000 0.649 188 E N 0.854 121.051 120.200 -0.004 0.000 2.277 188 E HA 0.552 4.902 4.350 0.000 0.000 0.274 188 E C -0.183 176.396 176.600 -0.036 0.000 1.022 188 E CA -0.856 55.535 56.400 -0.014 0.000 0.853 188 E CB 1.252 30.918 29.700 -0.057 0.000 1.086 188 E HN 0.377 nan 8.360 nan 0.000 0.397 189 I N 4.059 124.617 120.570 -0.020 0.000 2.494 189 I HA -0.045 4.125 4.170 0.000 0.000 0.289 189 I C 1.276 177.327 176.117 -0.109 0.000 1.106 189 I CA -0.138 61.142 61.300 -0.033 0.000 1.369 189 I CB 0.463 38.466 38.000 0.005 0.000 1.410 189 I HN 0.556 nan 8.210 nan 0.000 0.523 190 K N 3.203 123.464 120.400 -0.231 0.000 2.116 190 K HA 0.067 4.387 4.320 0.000 0.000 0.203 190 K C 0.692 177.190 176.600 -0.170 0.000 1.052 190 K CA 0.677 56.707 56.287 -0.428 0.000 0.952 190 K CB 0.168 31.987 32.500 -1.135 0.000 0.729 190 K HN 0.572 nan 8.250 nan 0.000 0.446 191 S N -0.369 115.299 115.700 -0.054 0.000 2.552 191 S HA 0.351 4.821 4.470 0.000 0.000 0.272 191 S C -1.780 172.865 174.600 0.075 0.000 1.150 191 S CA -0.777 57.474 58.200 0.085 0.000 0.849 191 S CB 1.771 65.121 63.200 0.250 0.000 1.113 191 S HN -0.135 nan 8.310 nan 0.000 0.458 192 V N 4.544 124.502 119.914 0.072 0.000 2.407 192 V HA 0.558 4.678 4.120 0.000 0.000 0.291 192 V C -0.717 175.412 176.094 0.058 0.000 1.018 192 V CA -0.483 61.852 62.300 0.060 0.000 0.842 192 V CB 1.188 33.037 31.823 0.043 0.000 0.996 192 V HN 0.754 nan 8.190 nan 0.000 0.426 193 L N 3.650 124.908 121.223 0.058 0.000 2.346 193 L HA 0.614 4.954 4.340 0.000 0.000 0.276 193 L C -0.706 176.177 176.870 0.022 0.000 1.006 193 L CA -0.849 54.018 54.840 0.045 0.000 0.817 193 L CB 2.170 44.265 42.059 0.061 0.000 1.272 193 L HN 0.485 nan 8.230 nan 0.000 0.421 194 D N 0.920 121.319 120.400 -0.001 0.000 2.312 194 D HA 0.231 4.871 4.640 0.000 0.000 0.252 194 D C 0.889 177.176 176.300 -0.021 0.000 1.150 194 D CA 0.069 54.052 54.000 -0.028 0.000 0.870 194 D CB 1.850 42.617 40.800 -0.054 0.000 1.153 194 D HN 0.691 nan 8.370 nan 0.000 0.457 195 T N -0.450 114.090 114.554 -0.023 0.000 3.138 195 T HA 0.480 4.830 4.350 0.000 0.000 0.245 195 T C 0.820 175.507 174.700 -0.021 0.000 0.982 195 T CA 0.262 62.362 62.100 0.000 0.000 1.134 195 T CB 0.500 69.384 68.868 0.027 0.000 1.032 195 T HN 0.518 nan 8.240 nan 0.000 0.442 196 G N -0.033 108.733 108.800 -0.057 0.000 2.376 196 G HA2 0.397 4.357 3.960 0.000 0.000 0.302 196 G HA3 0.397 4.357 3.960 0.000 0.000 0.302 196 G C -1.681 173.178 174.900 -0.069 0.000 1.586 196 G CA -1.167 43.870 45.100 -0.104 0.000 0.907 196 G HN 0.283 nan 8.290 nan 0.000 0.655 197 Y N 0.526 120.847 120.300 0.036 0.000 2.683 197 Y HA 0.261 4.811 4.550 0.000 0.000 0.340 197 Y C 1.570 177.501 175.900 0.052 0.000 1.245 197 Y CA 1.760 59.877 58.100 0.029 0.000 1.485 197 Y CB 0.833 39.305 38.460 0.019 0.000 1.328 197 Y HN 2.040 nan 8.280 nan 0.000 0.603 198 A N -0.075 122.882 122.820 0.229 0.000 3.028 198 A HA -0.181 4.139 4.320 0.000 0.000 0.248 198 A C 0.156 177.812 177.584 0.120 0.000 1.316 198 A CA 0.240 52.363 52.037 0.143 0.000 1.003 198 A CB -2.791 16.279 19.000 0.115 0.000 1.148 198 A HN 0.810 nan 8.150 nan 0.000 0.828 199 V N -0.684 119.302 119.914 0.120 0.000 2.790 199 V HA 0.085 4.205 4.120 0.000 0.000 0.304 199 V C 1.453 177.649 176.094 0.171 0.000 1.142 199 V CA 1.520 63.890 62.300 0.115 0.000 1.282 199 V CB 0.056 31.935 31.823 0.093 0.000 0.877 199 V HN 0.655 nan 8.190 nan 0.000 0.504 200 H N 4.423 123.516 119.070 0.038 0.000 2.451 200 H HA 0.480 5.036 4.556 0.000 0.000 0.240 200 H C 0.511 175.883 175.328 0.073 0.000 1.071 200 H CA 0.518 56.591 56.048 0.041 0.000 1.477 200 H CB 1.117 30.889 29.762 0.017 0.000 1.376 200 H HN 0.724 nan 8.280 nan 0.000 0.549 201 I N -0.577 119.924 120.570 -0.116 0.000 3.264 201 I HA 0.532 4.702 4.170 0.000 0.000 0.315 201 I C -1.176 174.854 176.117 -0.146 0.000 1.154 201 I CA -0.994 60.212 61.300 -0.157 0.000 0.962 201 I CB 2.641 40.394 38.000 -0.412 0.000 1.265 201 I HN 0.011 nan 8.210 nan 0.000 0.463 202 S N 1.526 117.050 115.700 -0.294 0.000 2.532 202 S HA 0.727 5.197 4.470 0.000 0.000 0.301 202 S C -0.670 173.670 174.600 -0.435 0.000 1.083 202 S CA -0.843 57.229 58.200 -0.214 0.000 1.025 202 S CB 1.611 64.823 63.200 0.019 0.000 1.056 202 S HN 0.465 nan 8.310 nan 0.000 0.494 203 R N 1.192 121.598 120.500 -0.156 0.000 2.774 203 R HA 0.534 4.874 4.340 0.000 0.000 0.272 203 R C -1.642 174.706 176.300 0.080 0.000 1.000 203 R CA -0.812 55.213 56.100 -0.125 0.000 0.906 203 R CB 1.242 31.456 30.300 -0.142 0.000 1.227 203 R HN 0.406 nan 8.270 nan 0.000 0.468 204 L N 1.331 122.600 121.223 0.077 0.000 2.334 204 L HA 0.386 4.726 4.340 0.000 0.000 0.276 204 L C 0.840 177.810 176.870 0.167 0.000 1.014 204 L CA -0.393 54.535 54.840 0.147 0.000 0.815 204 L CB 1.852 43.956 42.059 0.075 0.000 1.268 204 L HN 0.818 nan 8.230 nan 0.000 0.428 205 S N 1.342 117.202 115.700 0.266 0.000 2.584 205 S HA 0.228 4.698 4.470 0.000 0.000 0.270 205 S C 1.330 175.981 174.600 0.086 0.000 1.346 205 S CA 0.142 58.471 58.200 0.215 0.000 1.018 205 S CB 1.055 64.451 63.200 0.326 0.000 0.899 205 S HN 0.723 nan 8.310 nan 0.000 0.542 206 A N 1.915 124.763 122.820 0.047 0.000 1.978 206 A HA -0.072 4.248 4.320 0.000 0.000 0.220 206 A C 2.390 179.978 177.584 0.007 0.000 1.170 206 A CA 1.969 54.014 52.037 0.014 0.000 0.636 206 A CB -1.469 17.534 19.000 0.004 0.000 0.810 206 A HN 1.431 nan 8.150 nan 0.000 0.448 207 S N -2.316 113.386 115.700 0.004 0.000 2.562 207 S HA 0.363 4.833 4.470 0.000 0.000 0.221 207 S C 1.499 176.097 174.600 -0.004 0.000 0.975 207 S CA 1.089 59.285 58.200 -0.007 0.000 0.918 207 S CB -0.234 62.932 63.200 -0.056 0.000 0.772 207 S HN 1.929 nan 8.310 nan 0.000 0.531 208 G N 1.835 110.629 108.800 -0.009 0.000 2.179 208 G HA2 -0.352 3.608 3.960 0.000 0.000 0.260 208 G HA3 -0.352 3.608 3.960 0.000 0.000 0.260 208 G C 0.840 175.694 174.900 -0.077 0.000 0.977 208 G CA 0.452 45.556 45.100 0.006 0.000 0.641 208 G HN 0.571 nan 8.290 nan 0.000 0.533 209 R N -0.959 119.370 120.500 -0.286 0.000 2.093 209 R HA 0.176 4.516 4.340 0.000 0.000 0.224 209 R C 0.167 176.078 176.300 -0.649 0.000 1.101 209 R CA 0.772 56.454 56.100 -0.697 0.000 0.979 209 R CB 0.011 29.475 30.300 -1.393 0.000 0.877 209 R HN 0.368 nan 8.270 nan 0.000 0.441 210 Y N 0.466 120.639 120.300 -0.212 0.000 2.341 210 Y HA 0.309 4.859 4.550 0.000 0.000 0.337 210 Y C -0.517 175.258 175.900 -0.208 0.000 1.014 210 Y CA -1.277 56.664 58.100 -0.265 0.000 1.111 210 Y CB 1.627 39.884 38.460 -0.339 0.000 1.194 210 Y HN -0.038 nan 8.280 nan 0.000 0.462 211 L N 4.944 126.103 121.223 -0.105 0.000 2.272 211 L HA 0.593 4.933 4.340 0.000 0.000 0.289 211 L C -1.721 175.015 176.870 -0.223 0.000 1.032 211 L CA -0.534 54.272 54.840 -0.056 0.000 0.810 211 L CB -0.194 41.867 42.059 0.004 0.000 1.205 211 L HN 0.354 nan 8.230 nan 0.000 0.422 212 F N 5.168 125.126 119.950 0.014 0.000 2.458 212 F HA 0.631 5.158 4.527 -0.000 0.000 0.336 212 F C 0.086 175.868 175.800 -0.031 0.000 1.114 212 F CA -0.681 57.312 58.000 -0.012 0.000 0.987 212 F CB 1.971 40.945 39.000 -0.042 0.000 1.130 212 F HN 0.374 nan 8.300 nan 0.000 0.458 213 V N 5.033 125.030 119.914 0.138 0.000 2.604 213 V HA 0.719 4.839 4.120 0.000 0.000 0.305 213 V C -1.328 174.813 176.094 0.078 0.000 1.043 213 V CA -0.669 61.678 62.300 0.079 0.000 0.888 213 V CB 1.781 33.641 31.823 0.062 0.000 0.995 213 V HN 0.787 nan 8.190 nan 0.000 0.429 214 I N 4.461 125.062 120.570 0.052 0.000 2.569 214 I HA 0.897 5.067 4.170 0.000 0.000 0.296 214 I C 0.466 176.634 176.117 0.085 0.000 1.028 214 I CA -0.310 61.023 61.300 0.055 0.000 1.082 214 I CB 1.857 39.873 38.000 0.026 0.000 1.264 214 I HN 0.952 nan 8.210 nan 0.000 0.429 215 G N 4.772 113.613 108.800 0.067 0.000 2.509 215 G HA2 0.377 4.337 3.960 0.000 0.000 0.328 215 G HA3 0.377 4.337 3.960 0.000 0.000 0.328 215 G C 0.263 175.175 174.900 0.019 0.000 1.194 215 G CA -0.622 44.524 45.100 0.076 0.000 0.967 215 G HN 0.724 nan 8.290 nan 0.000 0.488 216 R N -0.399 120.094 120.500 -0.012 0.000 2.193 216 R HA -0.065 4.275 4.340 0.000 0.000 0.229 216 R C 1.231 177.492 176.300 -0.064 0.000 1.110 216 R CA 1.405 57.445 56.100 -0.101 0.000 0.988 216 R CB 0.150 30.389 30.300 -0.102 0.000 0.871 216 R HN 0.663 nan 8.270 nan 0.000 0.458 217 D N -1.011 119.382 120.400 -0.012 0.000 2.328 217 D HA 0.040 4.680 4.640 0.000 0.000 0.226 217 D C 1.078 177.346 176.300 -0.052 0.000 1.066 217 D CA 0.695 54.689 54.000 -0.009 0.000 0.861 217 D CB 0.185 41.007 40.800 0.036 0.000 0.912 217 D HN 0.228 nan 8.370 nan 0.000 0.521 218 G N 0.385 109.147 108.800 -0.064 0.000 2.159 218 G HA2 -0.329 3.631 3.960 0.000 0.000 0.256 218 G HA3 -0.329 3.631 3.960 0.000 0.000 0.256 218 G C 0.237 175.104 174.900 -0.054 0.000 0.977 218 G CA 0.196 45.239 45.100 -0.094 0.000 0.652 218 G HN 0.587 nan 8.290 nan 0.000 0.531 219 K N 0.700 121.096 120.400 -0.005 0.000 2.322 219 K HA 0.565 4.885 4.320 0.000 0.000 0.283 219 K C 0.025 176.654 176.600 0.047 0.000 1.042 219 K CA -0.257 56.051 56.287 0.035 0.000 0.958 219 K CB 1.088 33.621 32.500 0.056 0.000 0.984 219 K HN 0.226 nan 8.250 nan 0.000 0.473 220 V N 5.209 125.163 119.914 0.067 0.000 2.448 220 V HA 0.349 4.469 4.120 0.000 0.000 0.295 220 V C -0.831 175.328 176.094 0.107 0.000 1.025 220 V CA -0.945 61.409 62.300 0.089 0.000 0.859 220 V CB 1.598 33.476 31.823 0.093 0.000 0.988 220 V HN 0.847 nan 8.190 nan 0.000 0.431 221 N N 3.930 122.690 118.700 0.099 0.000 2.342 221 N HA 0.636 5.376 4.740 0.000 0.000 0.293 221 N C -0.707 174.812 175.510 0.015 0.000 1.026 221 N CA -0.466 52.627 53.050 0.072 0.000 0.857 221 N CB 1.973 40.493 38.487 0.055 0.000 1.256 221 N HN 0.754 nan 8.380 nan 0.000 0.484 222 M N 3.422 122.990 119.600 -0.053 0.000 2.205 222 M HA 0.535 5.015 4.480 0.000 0.000 0.344 222 M C -1.605 174.584 176.300 -0.184 0.000 1.085 222 M CA -0.482 54.636 55.300 -0.303 0.000 1.001 222 M CB 0.653 33.034 32.600 -0.365 0.000 1.626 222 M HN 0.468 nan 8.290 nan 0.000 0.442 223 I N 3.740 124.198 120.570 -0.187 0.000 2.433 223 I HA 0.279 4.449 4.170 0.000 0.000 0.292 223 I C -0.734 175.400 176.117 0.030 0.000 1.001 223 I CA -0.682 60.593 61.300 -0.041 0.000 1.119 223 I CB 1.872 39.865 38.000 -0.012 0.000 1.289 223 I HN 0.596 nan 8.210 nan 0.000 0.438 224 D N 6.594 127.033 120.400 0.065 0.000 2.380 224 D HA 0.230 4.870 4.640 0.000 0.000 0.230 224 D C 0.677 176.933 176.300 -0.073 0.000 1.154 224 D CA -0.121 53.891 54.000 0.020 0.000 0.859 224 D CB 1.084 41.944 40.800 0.099 0.000 1.045 224 D HN 0.428 nan 8.370 nan 0.000 0.495 225 L N 2.805 123.948 121.223 -0.132 0.000 2.622 225 L HA 0.012 4.352 4.340 0.000 0.000 0.233 225 L C 1.063 177.966 176.870 0.055 0.000 1.156 225 L CA 0.081 54.895 54.840 -0.043 0.000 0.866 225 L CB -0.050 42.025 42.059 0.025 0.000 0.980 225 L HN 0.478 nan 8.230 nan 0.000 0.448 226 W N -0.437 120.717 121.300 -0.244 0.000 3.077 226 W HA 0.193 4.854 4.660 0.000 0.000 0.266 226 W C 1.027 177.411 176.519 -0.224 0.000 1.300 226 W CA -0.921 56.287 57.345 -0.228 0.000 1.586 226 W CB -0.291 29.048 29.460 -0.203 0.000 1.103 226 W HN 0.013 nan 8.180 nan 0.000 0.652 227 M N 0.687 120.278 119.600 -0.016 0.000 2.245 227 M HA -0.006 4.474 4.480 0.000 0.000 0.330 227 M C 1.716 177.898 176.300 -0.196 0.000 1.098 227 M CA 0.460 55.714 55.300 -0.076 0.000 1.172 227 M CB 0.822 33.388 32.600 -0.056 0.000 1.467 227 M HN -0.161 nan 8.290 nan 0.000 0.454 228 K N 1.190 121.499 120.400 -0.152 0.000 2.044 228 K HA -0.156 4.164 4.320 0.000 0.000 0.210 228 K C -0.209 176.267 176.600 -0.207 0.000 1.049 228 K CA 1.493 57.677 56.287 -0.173 0.000 0.927 228 K CB -0.024 32.424 32.500 -0.088 0.000 0.713 228 K HN 0.626 nan 8.250 nan 0.000 0.443 229 E N 1.205 121.327 120.200 -0.130 0.000 2.255 229 E HA 0.235 4.585 4.350 0.000 0.000 0.245 229 E C -2.650 173.900 176.600 -0.083 0.000 0.909 229 E CA -2.279 54.074 56.400 -0.078 0.000 0.747 229 E CB 1.408 31.111 29.700 0.005 0.000 1.215 229 E HN -0.022 nan 8.360 nan 0.000 0.424 230 P HA -0.051 nan 4.420 nan 0.000 0.262 230 P C -0.384 176.924 177.300 0.012 0.000 1.182 230 P CA 0.424 63.478 63.100 -0.076 0.000 0.761 230 P CB 0.879 32.526 31.700 -0.089 0.000 0.795 231 T N 1.282 115.842 114.554 0.010 0.000 2.731 231 T HA 0.337 4.687 4.350 0.000 0.000 0.300 231 T C -0.842 173.871 174.700 0.020 0.000 1.283 231 T CA -0.495 61.614 62.100 0.016 0.000 1.005 231 T CB 0.634 69.500 68.868 -0.003 0.000 1.420 231 T HN 0.109 nan 8.240 nan 0.000 0.503 232 T N 2.192 116.757 114.554 0.017 0.000 2.817 232 T HA 0.248 4.598 4.350 0.000 0.000 0.295 232 T C 1.601 176.371 174.700 0.118 0.000 0.958 232 T CA 0.305 62.439 62.100 0.056 0.000 1.157 232 T CB 0.456 69.365 68.868 0.070 0.000 0.898 232 T HN 0.616 nan 8.240 nan 0.000 0.536 233 V N 0.941 120.913 119.914 0.097 0.000 3.471 233 V HA 0.713 4.833 4.120 0.000 0.000 0.258 233 V C 0.604 176.741 176.094 0.072 0.000 1.192 233 V CA 0.393 62.755 62.300 0.103 0.000 1.116 233 V CB -0.627 31.229 31.823 0.054 0.000 0.792 233 V HN 0.923 nan 8.190 nan 0.000 0.459 234 A N 0.731 123.585 122.820 0.057 0.000 2.605 234 A HA 0.787 5.107 4.320 0.000 0.000 0.294 234 A C -0.943 176.677 177.584 0.060 0.000 1.062 234 A CA -0.178 51.849 52.037 -0.016 0.000 0.682 234 A CB 1.523 20.534 19.000 0.017 0.000 1.278 234 A HN 0.685 nan 8.150 nan 0.000 0.410 235 E N 0.567 120.807 120.200 0.068 0.000 2.412 235 E HA 0.851 5.201 4.350 0.000 0.000 0.279 235 E C -1.368 175.354 176.600 0.203 0.000 0.984 235 E CA -0.726 55.755 56.400 0.134 0.000 0.788 235 E CB 2.032 31.821 29.700 0.150 0.000 1.277 235 E HN 1.055 nan 8.360 nan 0.000 0.455 236 I N -0.149 120.531 120.570 0.184 0.000 2.961 236 I HA 0.372 4.542 4.170 0.000 0.000 0.303 236 I C -2.134 174.072 176.117 0.148 0.000 1.505 236 I CA -0.742 60.682 61.300 0.206 0.000 0.964 236 I CB 2.275 40.397 38.000 0.203 0.000 1.348 236 I HN 0.668 nan 8.210 nan 0.000 0.508 237 K N 4.237 124.744 120.400 0.179 0.000 2.292 237 K HA 0.532 4.852 4.320 0.000 0.000 0.257 237 K C -0.126 176.526 176.600 0.088 0.000 0.940 237 K CA -0.534 55.813 56.287 0.101 0.000 0.811 237 K CB 1.468 34.044 32.500 0.128 0.000 1.120 237 K HN 0.557 nan 8.250 nan 0.000 0.428 238 I N -0.209 120.300 120.570 -0.101 0.000 4.082 238 I HA 0.488 4.658 4.170 0.000 0.000 0.337 238 I C 0.290 176.228 176.117 -0.298 0.000 1.352 238 I CA -0.160 61.092 61.300 -0.080 0.000 1.097 238 I CB 1.118 39.090 38.000 -0.048 0.000 1.048 238 I HN 0.640 nan 8.210 nan 0.000 0.393 239 G N -0.277 108.069 108.800 -0.756 0.000 2.325 239 G HA2 0.287 4.247 3.960 0.000 0.000 0.295 239 G HA3 0.287 4.247 3.960 0.000 0.000 0.295 239 G C -0.360 174.204 174.900 -0.561 0.000 1.274 239 G CA 0.128 44.835 45.100 -0.655 0.000 0.857 239 G HN -0.158 nan 8.290 nan 0.000 0.499 240 S N -0.510 115.111 115.700 -0.131 0.000 2.475 240 S HA 0.294 4.764 4.470 0.000 0.000 0.224 240 S C 0.417 175.062 174.600 0.075 0.000 1.042 240 S CA 0.653 58.883 58.200 0.049 0.000 0.935 240 S CB 0.154 63.555 63.200 0.335 0.000 0.801 240 S HN 0.469 nan 8.310 nan 0.000 0.509 241 E N 0.072 120.341 120.200 0.115 0.000 2.256 241 E HA 0.725 5.075 4.350 0.000 0.000 0.268 241 E C -1.112 175.477 176.600 -0.019 0.000 0.877 241 E CA -0.523 55.925 56.400 0.080 0.000 0.757 241 E CB 2.256 32.090 29.700 0.223 0.000 1.183 241 E HN 0.265 nan 8.360 nan 0.000 0.418 242 A N 2.115 124.825 122.820 -0.184 0.000 2.610 242 A HA 0.664 4.984 4.320 0.000 0.000 0.291 242 A C -0.428 176.929 177.584 -0.379 0.000 1.086 242 A CA -0.606 51.282 52.037 -0.247 0.000 0.677 242 A CB 1.524 20.448 19.000 -0.127 0.000 1.278 242 A HN 0.499 nan 8.150 nan 0.000 0.414 243 R N -0.370 119.934 120.500 -0.326 0.000 2.646 243 R HA 0.315 4.655 4.340 0.000 0.000 0.226 243 R C -0.004 176.330 176.300 0.057 0.000 0.928 243 R CA 0.533 56.513 56.100 -0.200 0.000 1.010 243 R CB 0.444 30.544 30.300 -0.334 0.000 1.516 243 R HN 0.609 nan 8.270 nan 0.000 0.621 244 S N 0.696 116.379 115.700 -0.029 0.000 2.578 244 S HA 0.678 5.148 4.470 0.000 0.000 0.301 244 S C -0.623 173.916 174.600 -0.102 0.000 1.091 244 S CA -0.485 57.688 58.200 -0.047 0.000 1.032 244 S CB 2.145 65.305 63.200 -0.066 0.000 1.064 244 S HN 0.184 nan 8.310 nan 0.000 0.508 245 I N 1.600 122.085 120.570 -0.141 0.000 2.913 245 I HA 0.692 4.862 4.170 0.000 0.000 0.302 245 I C -1.628 174.337 176.117 -0.254 0.000 1.246 245 I CA -0.292 60.885 61.300 -0.204 0.000 1.010 245 I CB 2.190 40.101 38.000 -0.149 0.000 1.259 245 I HN 0.661 nan 8.210 nan 0.000 0.434 246 E N 2.750 122.737 120.200 -0.356 0.000 2.437 246 E HA 0.595 4.945 4.350 0.000 0.000 0.280 246 E C -1.641 174.754 176.600 -0.342 0.000 1.044 246 E CA -0.413 55.807 56.400 -0.299 0.000 0.826 246 E CB 2.012 31.571 29.700 -0.234 0.000 1.358 246 E HN 0.625 nan 8.360 nan 0.000 0.459 247 T N -0.921 113.551 114.554 -0.135 0.000 2.908 247 T HA 0.652 5.002 4.350 0.000 0.000 0.290 247 T C -0.373 174.426 174.700 0.165 0.000 1.034 247 T CA -0.595 61.467 62.100 -0.063 0.000 1.010 247 T CB 1.158 69.959 68.868 -0.111 0.000 1.068 247 T HN 0.568 nan 8.240 nan 0.000 0.481 248 S N 1.269 117.022 115.700 0.088 0.000 2.515 248 S HA 0.245 4.715 4.470 0.000 0.000 0.285 248 S C 0.329 174.889 174.600 -0.067 0.000 1.265 248 S CA -0.712 57.396 58.200 -0.154 0.000 1.079 248 S CB 0.301 63.226 63.200 -0.458 0.000 0.877 248 S HN 0.816 nan 8.310 nan 0.000 0.493 249 K N 0.918 121.243 120.400 -0.125 0.000 2.413 249 K HA 0.200 4.520 4.320 0.000 0.000 0.204 249 K C -0.030 176.429 176.600 -0.236 0.000 1.041 249 K CA -0.367 55.783 56.287 -0.229 0.000 1.082 249 K CB 0.309 32.534 32.500 -0.459 0.000 0.871 249 K HN 0.600 nan 8.250 nan 0.000 0.535 250 M N 2.573 122.137 119.600 -0.060 0.000 2.219 250 M HA 0.028 4.508 4.480 0.000 0.000 0.353 250 M C 0.020 176.408 176.300 0.146 0.000 1.304 250 M CA 0.044 55.353 55.300 0.016 0.000 1.115 250 M CB 0.430 33.048 32.600 0.030 0.000 1.664 250 M HN 0.023 nan 8.290 nan 0.000 0.459 251 E N 3.514 123.764 120.200 0.082 0.000 2.652 251 E HA 0.189 4.539 4.350 0.000 0.000 0.255 251 E C 0.884 177.546 176.600 0.103 0.000 0.952 251 E CA 1.330 57.773 56.400 0.072 0.000 0.947 251 E CB -0.019 29.701 29.700 0.033 0.000 0.912 251 E HN 0.994 nan 8.360 nan 0.000 0.489 252 G N 3.867 112.676 108.800 0.015 0.000 2.213 252 G HA2 -0.255 3.705 3.960 0.000 0.000 0.236 252 G HA3 -0.255 3.705 3.960 0.000 0.000 0.236 252 G C 0.059 174.761 174.900 -0.329 0.000 0.991 252 G CA 0.193 45.202 45.100 -0.153 0.000 0.629 252 G HN 0.658 nan 8.290 nan 0.000 0.517 253 W N 1.780 123.072 121.300 -0.014 0.000 2.771 253 W HA 0.625 5.285 4.660 -0.000 0.000 0.412 253 W C 0.280 176.747 176.519 -0.087 0.000 0.965 253 W CA -0.580 56.752 57.345 -0.023 0.000 2.045 253 W CB 0.561 30.082 29.460 0.101 0.000 1.176 253 W HN 0.125 nan 8.180 nan 0.000 0.634 254 E N 1.066 121.298 120.200 0.054 0.000 2.465 254 E HA -0.004 4.346 4.350 0.000 0.000 0.260 254 E C 0.505 177.101 176.600 -0.006 0.000 0.980 254 E CA 1.016 57.427 56.400 0.018 0.000 0.927 254 E CB 0.105 29.805 29.700 0.001 0.000 0.934 254 E HN 0.039 nan 8.360 nan 0.000 0.459 255 D N 1.404 121.811 120.400 0.011 0.000 3.077 255 D HA -0.219 4.421 4.640 0.000 0.000 0.217 255 D C 0.892 177.151 176.300 -0.069 0.000 1.162 255 D CA 1.281 55.297 54.000 0.026 0.000 0.943 255 D CB -0.718 40.118 40.800 0.060 0.000 1.122 255 D HN 0.343 nan 8.370 nan 0.000 0.413 256 K N -0.964 119.351 120.400 -0.142 0.000 2.044 256 K HA 0.067 4.387 4.320 0.000 0.000 0.204 256 K C 0.171 176.368 176.600 -0.671 0.000 1.049 256 K CA 1.324 57.379 56.287 -0.386 0.000 0.945 256 K CB 0.218 32.576 32.500 -0.238 0.000 0.724 256 K HN 0.264 nan 8.250 nan 0.000 0.440 257 Y N -1.642 118.581 120.300 -0.129 0.000 2.581 257 Y HA 0.660 5.210 4.550 0.000 0.000 0.345 257 Y C -0.709 175.101 175.900 -0.150 0.000 1.036 257 Y CA -1.414 56.604 58.100 -0.136 0.000 1.042 257 Y CB 2.093 40.438 38.460 -0.192 0.000 1.289 257 Y HN -0.054 nan 8.280 nan 0.000 0.471 258 A N 1.947 124.737 122.820 -0.050 0.000 2.454 258 A HA 0.859 5.179 4.320 0.000 0.000 0.302 258 A C -1.743 175.588 177.584 -0.421 0.000 1.079 258 A CA -0.782 51.015 52.037 -0.401 0.000 0.731 258 A CB 1.554 20.096 19.000 -0.763 0.000 1.299 258 A HN 0.760 nan 8.150 nan 0.000 0.413 259 I N 0.603 120.777 120.570 -0.660 0.000 2.686 259 I HA 0.743 4.913 4.170 0.000 0.000 0.295 259 I C -0.462 175.401 176.117 -0.423 0.000 1.114 259 I CA -0.734 60.186 61.300 -0.633 0.000 1.038 259 I CB 1.945 39.230 38.000 -1.191 0.000 1.238 259 I HN 0.880 nan 8.210 nan 0.000 0.420 260 A N 4.820 127.492 122.820 -0.246 0.000 2.365 260 A HA 0.867 5.187 4.320 0.000 0.000 0.318 260 A C -0.515 177.015 177.584 -0.089 0.000 1.091 260 A CA -0.431 51.509 52.037 -0.162 0.000 0.763 260 A CB 1.555 20.489 19.000 -0.111 0.000 1.248 260 A HN 0.852 nan 8.150 nan 0.000 0.442 261 G N 0.012 108.768 108.800 -0.073 0.000 2.420 261 G HA2 0.725 4.685 3.960 0.000 0.000 0.331 261 G HA3 0.725 4.685 3.960 0.000 0.000 0.331 261 G C -0.372 174.530 174.900 0.003 0.000 1.168 261 G CA 0.116 45.214 45.100 -0.003 0.000 0.936 261 G HN 1.468 nan 8.290 nan 0.000 0.479 262 A N 0.928 123.772 122.820 0.041 0.000 2.356 262 A HA 0.683 5.003 4.320 0.000 0.000 0.323 262 A C -0.001 177.713 177.584 0.218 0.000 1.119 262 A CA -0.655 51.414 52.037 0.054 0.000 0.790 262 A CB 1.150 20.141 19.000 -0.015 0.000 1.273 262 A HN 0.636 nan 8.150 nan 0.000 0.452 263 Y N -0.122 120.210 120.300 0.055 0.000 2.269 263 Y HA 0.116 4.666 4.550 0.000 0.000 0.294 263 Y C 0.657 176.684 175.900 0.211 0.000 1.120 263 Y CA 0.300 58.471 58.100 0.117 0.000 1.159 263 Y CB 0.222 38.765 38.460 0.138 0.000 1.024 263 Y HN 0.673 nan 8.280 nan 0.000 0.532 264 W N 1.417 122.825 121.300 0.181 0.000 3.259 264 W HA 0.304 4.964 4.660 -0.000 0.000 0.331 264 W C -3.116 173.434 176.519 0.051 0.000 1.144 264 W CA -2.189 55.222 57.345 0.111 0.000 1.227 264 W CB 2.127 31.666 29.460 0.131 0.000 1.371 264 W HN -0.185 nan 8.180 nan 0.000 0.491 265 P HA 0.158 nan 4.420 nan 0.000 0.274 265 P C -2.553 174.388 177.300 -0.599 0.000 1.260 265 P CA -0.940 61.312 63.100 -1.413 0.000 0.793 265 P CB 0.013 31.141 31.700 -0.952 0.000 1.048 266 P HA 0.136 nan 4.420 nan 0.000 0.268 266 P C -0.771 176.417 177.300 -0.187 0.000 1.541 266 P CA 0.348 63.309 63.100 -0.231 0.000 1.093 266 P CB -0.352 31.241 31.700 -0.177 0.000 1.551 267 Q N 2.575 122.297 119.800 -0.130 0.000 2.702 267 Q HA 0.504 4.844 4.340 0.000 0.000 0.289 267 Q C -1.618 174.352 176.000 -0.050 0.000 0.923 267 Q CA -1.083 54.628 55.803 -0.153 0.000 0.787 267 Q CB 1.141 29.758 28.738 -0.203 0.000 1.476 267 Q HN 0.283 nan 8.270 nan 0.000 0.402 268 Y N -1.690 118.552 120.300 -0.097 0.000 2.570 268 Y HA 0.870 5.420 4.550 0.000 0.000 0.345 268 Y C -1.397 174.430 175.900 -0.121 0.000 1.014 268 Y CA -1.343 56.688 58.100 -0.115 0.000 1.063 268 Y CB 1.986 40.368 38.460 -0.130 0.000 1.272 268 Y HN 0.586 nan 8.280 nan 0.000 0.477 269 V N 4.228 124.164 119.914 0.037 0.000 2.638 269 V HA 0.569 4.689 4.120 0.000 0.000 0.306 269 V C -1.169 174.900 176.094 -0.041 0.000 1.052 269 V CA -1.004 61.267 62.300 -0.049 0.000 0.885 269 V CB 1.482 33.258 31.823 -0.078 0.000 0.999 269 V HN 0.841 nan 8.190 nan 0.000 0.424 270 I N 7.479 128.022 120.570 -0.044 0.000 2.365 270 I HA 0.449 4.619 4.170 0.000 0.000 0.291 270 I C 0.129 176.198 176.117 -0.080 0.000 1.004 270 I CA -0.024 61.225 61.300 -0.086 0.000 1.311 270 I CB 1.548 39.494 38.000 -0.090 0.000 1.401 270 I HN 0.538 nan 8.210 nan 0.000 0.491 271 M N 4.724 124.294 119.600 -0.050 0.000 2.602 271 M HA 0.295 4.775 4.480 0.000 0.000 0.312 271 M C -0.319 176.038 176.300 0.094 0.000 1.181 271 M CA -0.790 54.486 55.300 -0.040 0.000 0.910 271 M CB 1.814 34.361 32.600 -0.089 0.000 1.723 271 M HN 0.466 nan 8.290 nan 0.000 0.459 272 D N 1.138 121.562 120.400 0.040 0.000 2.493 272 D HA -0.006 4.634 4.640 0.000 0.000 0.240 272 D C 0.869 177.163 176.300 -0.010 0.000 1.142 272 D CA 0.459 54.480 54.000 0.035 0.000 0.872 272 D CB 1.357 42.151 40.800 -0.010 0.000 1.173 272 D HN 0.852 nan 8.370 nan 0.000 0.467 273 G N 3.315 112.062 108.800 -0.088 0.000 2.559 273 G HA2 -0.178 3.782 3.960 0.000 0.000 0.216 273 G HA3 -0.178 3.782 3.960 0.000 0.000 0.216 273 G C 1.230 176.091 174.900 -0.064 0.000 1.126 273 G CA 0.315 45.390 45.100 -0.042 0.000 0.778 273 G HN 0.618 nan 8.290 nan 0.000 0.543 274 E N -1.181 118.942 120.200 -0.128 0.000 2.434 274 E HA 0.023 4.373 4.350 0.000 0.000 0.207 274 E C 2.286 178.790 176.600 -0.161 0.000 0.929 274 E CA 0.863 57.114 56.400 -0.247 0.000 1.001 274 E CB 0.637 30.254 29.700 -0.139 0.000 1.016 274 E HN 0.476 nan 8.360 nan 0.000 0.502 275 T N -2.430 112.120 114.554 -0.007 0.000 2.959 275 T HA 0.232 4.582 4.350 0.000 0.000 0.254 275 T C 1.064 175.937 174.700 0.289 0.000 1.003 275 T CA -0.244 61.942 62.100 0.143 0.000 0.950 275 T CB 0.446 69.481 68.868 0.278 0.000 1.090 275 T HN 0.117 nan 8.240 nan 0.000 0.503 276 L N 0.187 121.487 121.223 0.129 0.000 4.800 276 L HA -0.146 4.194 4.340 0.000 0.000 0.412 276 L C 0.320 176.992 176.870 -0.330 0.000 1.063 276 L CA 0.417 55.283 54.840 0.043 0.000 1.114 276 L CB -1.788 40.368 42.059 0.162 0.000 2.089 276 L HN 0.534 nan 8.230 nan 0.000 0.686 277 E N 3.547 123.466 120.200 -0.469 0.000 2.480 277 E HA 0.052 4.402 4.350 0.000 0.000 0.258 277 E C -1.931 174.305 176.600 -0.607 0.000 0.984 277 E CA -1.344 54.401 56.400 -1.092 0.000 0.930 277 E CB 0.685 29.983 29.700 -0.670 0.000 0.936 277 E HN 0.045 nan 8.360 nan 0.000 0.466 278 P HA -0.003 nan 4.420 nan 0.000 0.269 278 P C -0.513 176.646 177.300 -0.235 0.000 1.252 278 P CA -0.032 62.875 63.100 -0.321 0.000 0.780 278 P CB 0.986 32.525 31.700 -0.267 0.000 0.829 279 K N 1.897 122.208 120.400 -0.149 0.000 2.214 279 K HA 0.125 4.445 4.320 0.000 0.000 0.201 279 K C 0.550 177.094 176.600 -0.094 0.000 1.049 279 K CA 0.911 57.141 56.287 -0.096 0.000 0.978 279 K CB 0.197 32.680 32.500 -0.028 0.000 0.842 279 K HN 0.260 nan 8.250 nan 0.000 0.474 280 K N 1.033 121.371 120.400 -0.104 0.000 2.565 280 K HA 0.321 4.641 4.320 0.000 0.000 0.249 280 K C -1.520 174.995 176.600 -0.142 0.000 0.958 280 K CA -0.265 55.957 56.287 -0.109 0.000 0.806 280 K CB 0.989 33.433 32.500 -0.094 0.000 1.194 280 K HN -0.192 nan 8.250 nan 0.000 0.434 281 I N 3.774 124.244 120.570 -0.166 0.000 2.359 281 I HA 0.438 4.608 4.170 0.000 0.000 0.294 281 I C -0.381 175.545 176.117 -0.319 0.000 0.987 281 I CA -0.716 60.450 61.300 -0.223 0.000 1.225 281 I CB 1.363 39.265 38.000 -0.164 0.000 1.366 281 I HN 0.511 nan 8.210 nan 0.000 0.466 282 Q N 3.311 122.772 119.800 -0.566 0.000 2.330 282 Q HA 0.338 4.678 4.340 0.000 0.000 0.269 282 Q C -0.356 175.330 176.000 -0.523 0.000 1.022 282 Q CA -0.503 54.931 55.803 -0.616 0.000 0.796 282 Q CB 2.826 30.969 28.738 -0.991 0.000 1.271 282 Q HN 0.668 nan 8.270 nan 0.000 0.450 283 S N 0.760 116.289 115.700 -0.286 0.000 2.565 283 S HA 0.221 4.691 4.470 0.000 0.000 0.276 283 S C 0.869 175.392 174.600 -0.127 0.000 1.326 283 S CA 0.083 58.169 58.200 -0.190 0.000 1.045 283 S CB 0.434 63.564 63.200 -0.116 0.000 0.918 283 S HN 0.652 nan 8.310 nan 0.000 0.505 284 T N 1.885 116.389 114.554 -0.082 0.000 3.092 284 T HA 0.326 4.676 4.350 0.000 0.000 0.258 284 T C 0.515 175.201 174.700 -0.024 0.000 1.031 284 T CA -0.375 61.715 62.100 -0.018 0.000 0.925 284 T CB -0.118 68.759 68.868 0.015 0.000 1.036 284 T HN 0.560 nan 8.240 nan 0.000 0.544 285 R N 1.032 121.520 120.500 -0.020 0.000 2.570 285 R HA 0.527 4.867 4.340 0.000 0.000 0.277 285 R C 0.809 177.151 176.300 0.071 0.000 1.039 285 R CA 0.930 57.037 56.100 0.012 0.000 1.065 285 R CB 0.340 30.706 30.300 0.109 0.000 0.964 285 R HN 0.574 nan 8.270 nan 0.000 0.428 286 G N 1.412 110.222 108.800 0.017 0.000 2.335 286 G HA2 0.202 4.162 3.960 0.000 0.000 0.291 286 G HA3 0.202 4.162 3.960 0.000 0.000 0.291 286 G C -1.536 173.404 174.900 0.066 0.000 1.261 286 G CA -0.915 44.254 45.100 0.116 0.000 0.871 286 G HN 0.240 nan 8.290 nan 0.000 0.491 287 M N 2.004 121.662 119.600 0.096 0.000 2.318 287 M HA 0.386 4.867 4.480 0.000 0.000 0.347 287 M C 0.933 177.259 176.300 0.043 0.000 1.175 287 M CA -0.672 54.676 55.300 0.081 0.000 1.075 287 M CB 0.577 33.230 32.600 0.087 0.000 1.614 287 M HN 0.814 nan 8.290 nan 0.000 0.456 288 T N 0.025 114.594 114.554 0.025 0.000 2.932 288 T HA 0.058 4.408 4.350 0.000 0.000 0.312 288 T C 1.039 175.740 174.700 0.002 0.000 1.071 288 T CA -0.167 61.937 62.100 0.007 0.000 1.128 288 T CB 0.200 69.050 68.868 -0.031 0.000 0.984 288 T HN 0.682 nan 8.240 nan 0.000 0.549 289 Y N 1.773 122.063 120.300 -0.017 0.000 2.242 289 Y HA -0.036 4.514 4.550 0.000 0.000 0.291 289 Y C 1.779 177.678 175.900 -0.001 0.000 1.137 289 Y CA 1.496 59.590 58.100 -0.010 0.000 1.181 289 Y CB -0.640 37.810 38.460 -0.016 0.000 0.989 289 Y HN 0.701 nan 8.280 nan 0.000 0.527 290 D N -0.061 119.621 120.400 -1.196 0.000 2.290 290 D HA -0.107 4.533 4.640 0.000 0.000 0.224 290 D C 1.432 177.517 176.300 -0.358 0.000 0.967 290 D CA 1.356 54.829 54.000 -0.879 0.000 0.893 290 D CB -0.844 39.300 40.800 -1.094 0.000 1.037 290 D HN 0.590 nan 8.370 nan 0.000 0.477 291 E N 0.056 120.097 120.200 -0.264 0.000 2.442 291 E HA 0.020 4.370 4.350 0.000 0.000 0.195 291 E C -0.151 176.402 176.600 -0.079 0.000 1.030 291 E CA -0.041 56.282 56.400 -0.128 0.000 0.869 291 E CB -0.028 29.620 29.700 -0.087 0.000 0.857 291 E HN 0.270 nan 8.360 nan 0.000 0.505 292 Q N 1.227 120.979 119.800 -0.079 0.000 2.453 292 Q HA -0.164 4.176 4.340 0.000 0.000 0.350 292 Q C -0.914 175.091 176.000 0.009 0.000 1.447 292 Q CA 0.605 56.395 55.803 -0.022 0.000 0.968 292 Q CB -0.932 27.799 28.738 -0.013 0.000 1.175 292 Q HN 0.213 nan 8.270 nan 0.000 0.354 293 E N 0.597 120.809 120.200 0.021 0.000 2.288 293 E HA 0.255 4.605 4.350 0.000 0.000 0.268 293 E C -0.824 175.835 176.600 0.099 0.000 0.885 293 E CA -0.999 55.433 56.400 0.053 0.000 0.767 293 E CB 1.044 30.759 29.700 0.026 0.000 1.220 293 E HN 0.256 nan 8.360 nan 0.000 0.427 294 Y N 2.544 122.853 120.300 0.014 0.000 2.610 294 Y HA 0.006 4.556 4.550 0.000 0.000 0.332 294 Y C -0.250 175.680 175.900 0.049 0.000 1.201 294 Y CA 0.673 58.791 58.100 0.031 0.000 1.465 294 Y CB 0.357 38.825 38.460 0.012 0.000 1.283 294 Y HN 0.372 nan 8.280 nan 0.000 0.563 295 H N 8.688 127.289 119.070 -0.782 0.000 2.800 295 H HA 0.276 4.832 4.556 0.000 0.000 0.322 295 H C -2.207 172.607 175.328 -0.857 0.000 0.979 295 H CA -2.447 53.252 56.048 -0.582 0.000 1.277 295 H CB 2.226 31.810 29.762 -0.298 0.000 1.484 295 H HN 0.507 nan 8.280 nan 0.000 0.512 296 P HA -0.028 nan 4.420 nan 0.000 0.237 296 P C -0.187 177.171 177.300 0.096 0.000 1.178 296 P CA 0.657 63.639 63.100 -0.198 0.000 0.766 296 P CB 0.543 32.263 31.700 0.033 0.000 0.876 297 E N -0.623 119.763 120.200 0.310 0.000 3.832 297 E HA 0.304 4.654 4.350 0.000 0.000 0.250 297 E C -3.002 173.678 176.600 0.134 0.000 1.215 297 E CA -2.020 54.549 56.400 0.282 0.000 1.179 297 E CB 0.348 30.309 29.700 0.436 0.000 1.270 297 E HN 0.110 nan 8.360 nan 0.000 0.405 298 P HA 0.158 nan 4.420 nan 0.000 0.279 298 P C -0.344 176.888 177.300 -0.113 0.000 1.318 298 P CA -0.196 62.763 63.100 -0.235 0.000 0.819 298 P CB 0.282 31.845 31.700 -0.229 0.000 0.927 299 R N 1.781 122.207 120.500 -0.122 0.000 2.694 299 R HA 0.264 4.604 4.340 0.000 0.000 0.268 299 R C -0.123 176.178 176.300 0.002 0.000 1.061 299 R CA -0.585 55.477 56.100 -0.064 0.000 1.133 299 R CB 0.405 30.520 30.300 -0.307 0.000 1.020 299 R HN 0.214 nan 8.270 nan 0.000 0.475 300 V N 2.819 122.811 119.914 0.129 0.000 2.406 300 V HA 0.264 4.384 4.120 0.000 0.000 0.272 300 V C 0.649 176.865 176.094 0.204 0.000 1.043 300 V CA 0.106 62.480 62.300 0.123 0.000 0.915 300 V CB 0.928 32.815 31.823 0.107 0.000 0.988 300 V HN 0.997 nan 8.190 nan 0.000 0.466 301 A N 5.010 127.899 122.820 0.115 0.000 3.711 301 A HA 0.899 5.219 4.320 0.000 0.000 0.185 301 A C 0.903 178.491 177.584 0.006 0.000 1.697 301 A CA 0.242 52.339 52.037 0.099 0.000 1.787 301 A CB -0.411 18.611 19.000 0.037 0.000 1.545 301 A HN 1.047 nan 8.150 nan 0.000 0.553 302 A N -0.612 122.181 122.820 -0.045 0.000 2.425 302 A HA 0.539 4.859 4.320 0.000 0.000 0.242 302 A C -0.328 177.223 177.584 -0.056 0.000 1.077 302 A CA 0.219 52.237 52.037 -0.031 0.000 0.781 302 A CB -0.410 18.606 19.000 0.026 0.000 1.020 302 A HN 0.515 nan 8.150 nan 0.000 0.494 303 I N 2.382 122.887 120.570 -0.108 0.000 2.447 303 I HA 0.349 4.519 4.170 0.000 0.000 0.287 303 I C -0.477 175.534 176.117 -0.176 0.000 1.023 303 I CA -0.161 61.025 61.300 -0.189 0.000 1.083 303 I CB 1.322 39.170 38.000 -0.254 0.000 1.245 303 I HN 0.498 nan 8.210 nan 0.000 0.434 304 L N 4.324 125.411 121.223 -0.227 0.000 2.211 304 L HA 0.897 5.237 4.340 0.000 0.000 0.259 304 L C -0.177 176.653 176.870 -0.067 0.000 1.031 304 L CA -1.015 53.731 54.840 -0.157 0.000 0.877 304 L CB 1.906 43.836 42.059 -0.215 0.000 1.457 304 L HN 0.609 nan 8.230 nan 0.000 0.466 305 A N 0.361 123.165 122.820 -0.026 0.000 2.356 305 A HA 0.556 4.876 4.320 0.000 0.000 0.310 305 A C -0.472 177.039 177.584 -0.122 0.000 1.075 305 A CA -0.362 51.667 52.037 -0.014 0.000 0.746 305 A CB 1.736 20.745 19.000 0.015 0.000 1.221 305 A HN 0.565 nan 8.150 nan 0.000 0.443 306 S N 0.150 115.751 115.700 -0.164 0.000 2.572 306 S HA 0.192 4.662 4.470 0.000 0.000 0.279 306 S C 0.552 175.064 174.600 -0.145 0.000 1.341 306 S CA -0.138 58.001 58.200 -0.102 0.000 1.043 306 S CB 0.060 63.170 63.200 -0.149 0.000 0.887 306 S HN 0.710 nan 8.310 nan 0.000 0.516 307 H N 2.797 121.875 119.070 0.013 0.000 2.652 307 H HA 0.130 4.686 4.556 0.000 0.000 0.274 307 H C 0.240 175.545 175.328 -0.039 0.000 1.021 307 H CA 0.326 56.377 56.048 0.004 0.000 1.187 307 H CB 0.369 30.151 29.762 0.034 0.000 1.505 307 H HN 0.684 nan 8.280 nan 0.000 0.530 308 Y N 0.562 120.864 120.300 0.004 0.000 2.522 308 Y HA 0.216 4.766 4.550 0.000 0.000 0.277 308 Y C 0.909 176.756 175.900 -0.087 0.000 1.104 308 Y CA 0.384 58.462 58.100 -0.036 0.000 1.260 308 Y CB 0.824 39.243 38.460 -0.068 0.000 1.151 308 Y HN -0.135 nan 8.280 nan 0.000 0.539 309 R N -0.080 120.404 120.500 -0.026 0.000 2.867 309 R HA 0.327 4.667 4.340 0.000 0.000 0.268 309 R C -2.715 173.376 176.300 -0.348 0.000 1.014 309 R CA -2.112 53.889 56.100 -0.165 0.000 0.946 309 R CB 1.251 31.443 30.300 -0.180 0.000 1.208 309 R HN -0.286 nan 8.270 nan 0.000 0.477 310 P HA 0.138 nan 4.420 nan 0.000 0.237 310 P C -1.249 175.072 177.300 -1.631 0.000 1.788 310 P CA 0.257 62.680 63.100 -1.127 0.000 1.061 310 P CB 0.218 31.142 31.700 -1.295 0.000 1.967 311 E N 0.901 120.438 120.200 -1.105 0.000 2.383 311 E HA 0.496 4.846 4.350 0.000 0.000 0.275 311 E C -0.943 175.327 176.600 -0.550 0.000 0.918 311 E CA -0.773 55.127 56.400 -0.833 0.000 0.764 311 E CB 1.378 30.802 29.700 -0.461 0.000 1.252 311 E HN 0.059 nan 8.360 nan 0.000 0.449 312 F N 1.116 120.942 119.950 -0.207 0.000 2.432 312 F HA 0.480 5.007 4.527 0.000 0.000 0.329 312 F C 0.228 175.849 175.800 -0.298 0.000 1.076 312 F CA -0.686 57.194 58.000 -0.200 0.000 1.018 312 F CB 0.857 39.737 39.000 -0.200 0.000 1.201 312 F HN 0.227 nan 8.300 nan 0.000 0.489 313 I N 3.184 123.676 120.570 -0.129 0.000 2.390 313 I HA 0.344 4.514 4.170 0.000 0.000 0.283 313 I C -1.178 174.732 176.117 -0.346 0.000 1.016 313 I CA -0.607 60.496 61.300 -0.329 0.000 1.151 313 I CB 1.243 38.891 38.000 -0.587 0.000 1.293 313 I HN 0.111 nan 8.210 nan 0.000 0.458 314 V N 5.671 125.414 119.914 -0.286 0.000 2.384 314 V HA 0.347 4.467 4.120 0.000 0.000 0.287 314 V C -0.032 175.985 176.094 -0.127 0.000 1.020 314 V CA -0.785 61.361 62.300 -0.256 0.000 0.850 314 V CB 1.531 33.112 31.823 -0.404 0.000 0.987 314 V HN 0.579 nan 8.190 nan 0.000 0.436 315 N N 3.147 121.816 118.700 -0.053 0.000 2.444 315 N HA 0.406 5.146 4.740 0.000 0.000 0.271 315 N C -0.616 174.892 175.510 -0.003 0.000 1.069 315 N CA -0.151 52.911 53.050 0.020 0.000 0.965 315 N CB 1.873 40.408 38.487 0.080 0.000 1.092 315 N HN 0.435 nan 8.380 nan 0.000 0.476 316 V N 3.668 123.574 119.914 -0.014 0.000 2.293 316 V HA 0.172 4.292 4.120 0.000 0.000 0.275 316 V C 1.546 177.603 176.094 -0.063 0.000 1.021 316 V CA -0.699 61.583 62.300 -0.031 0.000 0.815 316 V CB 1.230 33.035 31.823 -0.029 0.000 1.025 316 V HN 0.680 nan 8.190 nan 0.000 0.448 317 K N 3.466 123.822 120.400 -0.074 0.000 1.977 317 K HA -0.221 4.099 4.320 0.000 0.000 0.218 317 K C 1.621 178.090 176.600 -0.219 0.000 1.051 317 K CA 2.360 58.585 56.287 -0.103 0.000 0.953 317 K CB 0.191 32.633 32.500 -0.095 0.000 0.727 317 K HN 0.681 nan 8.250 nan 0.000 0.445 318 E N -0.521 119.477 120.200 -0.336 0.000 2.208 318 E HA -0.091 4.259 4.350 0.000 0.000 0.193 318 E C 1.734 178.107 176.600 -0.379 0.000 0.988 318 E CA 1.637 57.739 56.400 -0.497 0.000 0.828 318 E CB 0.093 29.294 29.700 -0.832 0.000 0.763 318 E HN 0.608 nan 8.360 nan 0.000 0.478 319 T N -3.482 110.919 114.554 -0.255 0.000 3.067 319 T HA 0.209 4.559 4.350 0.000 0.000 0.257 319 T C 1.531 176.266 174.700 0.059 0.000 1.105 319 T CA 0.206 62.250 62.100 -0.093 0.000 1.104 319 T CB 0.225 69.049 68.868 -0.074 0.000 0.925 319 T HN 0.205 nan 8.240 nan 0.000 0.498 320 G N 2.024 110.821 108.800 -0.005 0.000 2.256 320 G HA2 -0.176 3.784 3.960 0.000 0.000 0.272 320 G HA3 -0.176 3.784 3.960 0.000 0.000 0.272 320 G C -0.335 174.519 174.900 -0.076 0.000 1.076 320 G CA -0.276 44.814 45.100 -0.015 0.000 0.882 320 G HN 0.536 nan 8.290 nan 0.000 0.497 321 K N -0.277 120.097 120.400 -0.043 0.000 2.316 321 K HA 0.688 5.008 4.320 0.000 0.000 0.251 321 K C 0.121 176.699 176.600 -0.037 0.000 0.934 321 K CA -0.893 55.371 56.287 -0.038 0.000 0.802 321 K CB 2.151 34.649 32.500 -0.005 0.000 1.171 321 K HN 0.244 nan 8.250 nan 0.000 0.426 322 I N 3.816 124.363 120.570 -0.038 0.000 2.362 322 I HA 0.317 4.487 4.170 0.000 0.000 0.289 322 I C -0.255 175.834 176.117 -0.048 0.000 0.994 322 I CA -0.795 60.494 61.300 -0.019 0.000 1.158 322 I CB 1.055 39.075 38.000 0.033 0.000 1.315 322 I HN 0.208 nan 8.210 nan 0.000 0.451 323 L N 6.998 128.174 121.223 -0.079 0.000 2.295 323 L HA 0.526 4.866 4.340 0.000 0.000 0.285 323 L C -0.576 176.211 176.870 -0.139 0.000 1.035 323 L CA -0.700 54.083 54.840 -0.095 0.000 0.806 323 L CB 1.275 43.275 42.059 -0.098 0.000 1.214 323 L HN 0.423 nan 8.230 nan 0.000 0.426 324 L N 4.500 125.649 121.223 -0.123 0.000 2.277 324 L HA 0.426 4.766 4.340 0.000 0.000 0.284 324 L C -0.588 176.192 176.870 -0.151 0.000 1.028 324 L CA -0.610 54.139 54.840 -0.152 0.000 0.835 324 L CB 1.623 43.596 42.059 -0.144 0.000 1.215 324 L HN 0.316 nan 8.230 nan 0.000 0.425 325 V N 2.048 121.863 119.914 -0.165 0.000 2.328 325 V HA 0.172 4.292 4.120 0.000 0.000 0.278 325 V C -0.009 175.943 176.094 -0.236 0.000 1.021 325 V CA -0.600 61.620 62.300 -0.132 0.000 0.838 325 V CB 1.585 33.366 31.823 -0.071 0.000 0.999 325 V HN 0.601 nan 8.190 nan 0.000 0.447 326 D N 4.480 124.718 120.400 -0.271 0.000 2.325 326 D HA 0.082 4.722 4.640 0.000 0.000 0.251 326 D C 0.341 176.389 176.300 -0.420 0.000 1.196 326 D CA -0.315 53.414 54.000 -0.451 0.000 0.866 326 D CB 1.199 41.795 40.800 -0.339 0.000 1.101 326 D HN 0.637 nan 8.370 nan 0.000 0.476 327 Y N 1.217 121.229 120.300 -0.481 0.000 2.495 327 Y HA 0.144 4.694 4.550 0.000 0.000 0.293 327 Y C 1.876 177.462 175.900 -0.523 0.000 1.186 327 Y CA -0.000 57.783 58.100 -0.528 0.000 1.266 327 Y CB -0.884 37.170 38.460 -0.676 0.000 1.101 327 Y HN 0.243 nan 8.280 nan 0.000 0.517 328 T N -3.376 110.919 114.554 -0.432 0.000 2.995 328 T HA -0.059 4.291 4.350 0.000 0.000 0.269 328 T C 0.179 174.903 174.700 0.039 0.000 1.091 328 T CA 1.077 63.051 62.100 -0.209 0.000 1.128 328 T CB -0.033 68.754 68.868 -0.134 0.000 0.891 328 T HN 0.330 nan 8.240 nan 0.000 0.492 329 D N -0.123 120.257 120.400 -0.033 0.000 2.470 329 D HA 0.257 4.897 4.640 0.000 0.000 0.233 329 D C 0.548 176.830 176.300 -0.030 0.000 1.372 329 D CA -0.515 53.491 54.000 0.009 0.000 0.994 329 D CB 1.036 41.840 40.800 0.005 0.000 1.377 329 D HN 0.166 nan 8.370 nan 0.000 0.586 330 L N 1.855 123.065 121.223 -0.022 0.000 2.492 330 L HA 0.089 4.429 4.340 0.000 0.000 0.223 330 L C 1.178 178.029 176.870 -0.032 0.000 1.132 330 L CA 0.387 55.198 54.840 -0.048 0.000 0.850 330 L CB 0.134 42.153 42.059 -0.066 0.000 0.966 330 L HN 0.266 nan 8.230 nan 0.000 0.454 331 D N -0.112 120.279 120.400 -0.014 0.000 2.201 331 D HA -0.015 4.625 4.640 0.000 0.000 0.209 331 D C 0.712 177.001 176.300 -0.019 0.000 0.961 331 D CA 0.815 54.806 54.000 -0.015 0.000 0.861 331 D CB 0.099 40.897 40.800 -0.003 0.000 0.997 331 D HN 0.261 nan 8.370 nan 0.000 0.486 332 N N 1.505 120.195 118.700 -0.017 0.000 3.091 332 N HA 0.132 4.872 4.740 0.000 0.000 0.255 332 N C -0.540 174.950 175.510 -0.033 0.000 1.204 332 N CA -0.242 52.795 53.050 -0.021 0.000 0.990 332 N CB 1.385 39.864 38.487 -0.015 0.000 1.260 332 N HN 0.064 nan 8.380 nan 0.000 0.502 333 L N 1.645 122.847 121.223 -0.036 0.000 2.369 333 L HA 0.155 4.495 4.340 0.000 0.000 0.279 333 L C 0.183 177.025 176.870 -0.047 0.000 1.108 333 L CA 0.101 54.914 54.840 -0.045 0.000 0.852 333 L CB 0.156 42.194 42.059 -0.036 0.000 1.169 333 L HN 0.070 nan 8.230 nan 0.000 0.452 334 K N 3.681 124.040 120.400 -0.068 0.000 2.201 334 K HA 0.547 4.867 4.320 0.000 0.000 0.278 334 K C -0.284 176.269 176.600 -0.080 0.000 1.027 334 K CA -0.335 55.908 56.287 -0.073 0.000 0.909 334 K CB 1.044 33.488 32.500 -0.094 0.000 1.062 334 K HN 0.768 nan 8.250 nan 0.000 0.465 335 T N -1.326 113.192 114.554 -0.059 0.000 2.883 335 T HA 0.407 4.757 4.350 0.000 0.000 0.301 335 T C -0.511 174.156 174.700 -0.055 0.000 1.158 335 T CA -0.846 61.220 62.100 -0.057 0.000 1.007 335 T CB 1.812 70.669 68.868 -0.017 0.000 1.186 335 T HN 0.268 nan 8.240 nan 0.000 0.499 336 T N 1.828 116.344 114.554 -0.063 0.000 2.809 336 T HA 0.468 4.818 4.350 0.000 0.000 0.284 336 T C -0.721 173.953 174.700 -0.044 0.000 0.992 336 T CA -0.626 61.441 62.100 -0.055 0.000 0.957 336 T CB 1.284 70.112 68.868 -0.067 0.000 0.942 336 T HN 0.812 nan 8.240 nan 0.000 0.439 337 E N 4.676 124.860 120.200 -0.027 0.000 2.035 337 E HA 0.330 4.680 4.350 0.000 0.000 0.271 337 E C -0.737 175.851 176.600 -0.020 0.000 0.953 337 E CA -0.508 55.882 56.400 -0.017 0.000 0.777 337 E CB 0.379 30.081 29.700 0.002 0.000 1.104 337 E HN 0.580 nan 8.360 nan 0.000 0.408 338 I N 3.591 124.141 120.570 -0.033 0.000 2.325 338 I HA 0.103 4.273 4.170 0.000 0.000 0.291 338 I C 0.234 176.318 176.117 -0.055 0.000 1.019 338 I CA -0.518 60.755 61.300 -0.044 0.000 1.302 338 I CB 1.571 39.536 38.000 -0.058 0.000 1.401 338 I HN 0.413 nan 8.210 nan 0.000 0.485 339 S N 5.041 120.715 115.700 -0.042 0.000 2.516 339 S HA 0.389 4.859 4.470 0.000 0.000 0.282 339 S C 0.581 175.035 174.600 -0.244 0.000 1.286 339 S CA -0.142 58.022 58.200 -0.060 0.000 1.066 339 S CB 1.144 64.389 63.200 0.076 0.000 0.884 339 S HN 0.810 nan 8.310 nan 0.000 0.491 340 A N 3.471 125.997 122.820 -0.491 0.000 2.017 340 A HA 0.795 5.115 4.320 0.000 0.000 0.194 340 A C -0.189 176.901 177.584 -0.824 0.000 1.985 340 A CA -0.170 51.567 52.037 -0.500 0.000 1.584 340 A CB 0.192 19.020 19.000 -0.285 0.000 1.244 340 A HN 0.603 nan 8.150 nan 0.000 0.587 341 E N -0.128 119.702 120.200 -0.617 0.000 2.363 341 E HA 0.468 4.818 4.350 0.000 0.000 0.281 341 E C -1.082 175.467 176.600 -0.085 0.000 0.953 341 E CA -0.490 55.672 56.400 -0.396 0.000 0.778 341 E CB 1.112 30.731 29.700 -0.135 0.000 1.220 341 E HN 0.450 nan 8.360 nan 0.000 0.431 342 R N 2.212 122.823 120.500 0.185 0.000 2.774 342 R HA 0.320 4.660 4.340 0.000 0.000 0.269 342 R C -0.175 176.253 176.300 0.214 0.000 1.068 342 R CA 0.398 56.570 56.100 0.121 0.000 1.180 342 R CB 0.034 30.382 30.300 0.081 0.000 1.077 342 R HN 0.745 nan 8.270 nan 0.000 0.513 343 F N -1.639 118.325 119.950 0.022 0.000 2.844 343 F HA -0.216 4.311 4.527 0.000 0.000 0.288 343 F C 0.116 175.942 175.800 0.043 0.000 0.732 343 F CA -0.108 57.907 58.000 0.026 0.000 1.378 343 F CB -1.844 37.171 39.000 0.026 0.000 1.597 343 F HN 0.382 nan 8.300 nan 0.000 0.376 344 L N 0.342 121.645 121.223 0.135 0.000 2.559 344 L HA 0.118 4.458 4.340 0.000 0.000 0.282 344 L C 1.251 178.234 176.870 0.190 0.000 1.232 344 L CA 0.824 55.728 54.840 0.108 0.000 0.885 344 L CB 0.460 42.545 42.059 0.042 0.000 1.131 344 L HN 0.338 nan 8.230 nan 0.000 0.498 345 H N 0.787 119.898 119.070 0.068 0.000 5.180 345 H HA 0.200 4.756 4.556 0.000 0.000 0.088 345 H C -0.669 174.713 175.328 0.090 0.000 1.297 345 H CA 0.157 56.262 56.048 0.094 0.000 0.486 345 H CB 0.509 30.334 29.762 0.105 0.000 1.599 345 H HN 0.727 nan 8.280 nan 0.000 0.117 346 D N 0.024 120.437 120.400 0.021 0.000 2.440 346 D HA 0.562 5.202 4.640 0.000 0.000 0.258 346 D C 0.385 176.718 176.300 0.054 0.000 1.092 346 D CA -0.285 53.705 54.000 -0.017 0.000 1.016 346 D CB 1.864 42.621 40.800 -0.072 0.000 1.141 346 D HN 0.716 nan 8.370 nan 0.000 0.552 347 G N -2.593 106.288 108.800 0.135 0.000 2.342 347 G HA2 0.605 4.565 3.960 0.000 0.000 0.297 347 G HA3 0.605 4.565 3.960 0.000 0.000 0.297 347 G C -1.155 173.942 174.900 0.328 0.000 1.313 347 G CA -0.362 44.828 45.100 0.149 0.000 0.830 347 G HN 0.840 nan 8.290 nan 0.000 0.506 348 G N -1.505 107.492 108.800 0.329 0.000 2.687 348 G HA2 0.655 4.615 3.960 0.000 0.000 0.291 348 G HA3 0.655 4.615 3.960 0.000 0.000 0.291 348 G C -1.098 174.099 174.900 0.495 0.000 1.420 348 G CA -0.894 44.511 45.100 0.508 0.000 0.796 348 G HN 0.691 nan 8.290 nan 0.000 0.485 349 L N 1.464 123.071 121.223 0.640 0.000 2.375 349 L HA 0.296 4.636 4.340 0.000 0.000 0.271 349 L C 0.768 177.868 176.870 0.384 0.000 1.107 349 L CA -1.017 54.070 54.840 0.411 0.000 0.806 349 L CB 1.061 43.310 42.059 0.317 0.000 1.146 349 L HN 0.772 nan 8.230 nan 0.000 0.447 350 D N 1.560 122.119 120.400 0.265 0.000 2.372 350 D HA -0.047 4.593 4.640 0.000 0.000 0.243 350 D C 1.147 177.579 176.300 0.221 0.000 1.297 350 D CA 0.118 54.286 54.000 0.280 0.000 0.958 350 D CB 0.809 41.797 40.800 0.312 0.000 1.114 350 D HN 0.625 nan 8.370 nan 0.000 0.496 351 G N -0.669 108.221 108.800 0.151 0.000 2.450 351 G HA2 -0.283 3.677 3.960 0.000 0.000 0.220 351 G HA3 -0.283 3.677 3.960 0.000 0.000 0.220 351 G C 1.523 176.350 174.900 -0.121 0.000 1.130 351 G CA 1.370 46.467 45.100 -0.005 0.000 0.760 351 G HN 0.610 nan 8.290 nan 0.000 0.557 352 S N -1.143 114.560 115.700 0.006 0.000 2.562 352 S HA 0.043 4.513 4.470 0.000 0.000 0.221 352 S C 0.994 175.638 174.600 0.074 0.000 0.975 352 S CA 0.835 59.040 58.200 0.009 0.000 0.918 352 S CB -0.519 62.755 63.200 0.124 0.000 0.772 352 S HN 0.685 nan 8.310 nan 0.000 0.531 353 H N -0.313 118.779 119.070 0.036 0.000 2.992 353 H HA -0.158 4.398 4.556 0.000 0.000 0.266 353 H C 1.319 176.695 175.328 0.081 0.000 1.200 353 H CA 0.830 56.879 56.048 0.003 0.000 1.135 353 H CB -1.053 28.586 29.762 -0.206 0.000 1.282 353 H HN 0.539 nan 8.280 nan 0.000 0.351 354 R N 0.142 120.637 120.500 -0.009 0.000 2.195 354 R HA 0.107 4.447 4.340 0.000 0.000 0.197 354 R C -0.376 175.557 176.300 -0.611 0.000 0.990 354 R CA 0.437 56.164 56.100 -0.622 0.000 1.048 354 R CB 0.635 30.292 30.300 -1.072 0.000 0.997 354 R HN 0.157 nan 8.270 nan 0.000 0.502 355 Y N -0.039 120.253 120.300 -0.013 0.000 2.335 355 Y HA 0.306 4.856 4.550 0.000 0.000 0.338 355 Y C -0.776 175.121 175.900 -0.005 0.000 0.977 355 Y CA -1.417 56.654 58.100 -0.049 0.000 1.114 355 Y CB 1.286 39.735 38.460 -0.019 0.000 1.182 355 Y HN -0.099 nan 8.280 nan 0.000 0.463 356 F N 5.171 125.069 119.950 -0.087 0.000 2.411 356 F HA 0.615 5.142 4.527 0.000 0.000 0.350 356 F C -0.841 174.798 175.800 -0.269 0.000 1.114 356 F CA -1.716 56.203 58.000 -0.135 0.000 1.135 356 F CB 0.247 39.176 39.000 -0.118 0.000 1.120 356 F HN 0.339 nan 8.300 nan 0.000 0.495 357 I N 5.791 125.889 120.570 -0.787 0.000 2.410 357 I HA 0.312 4.482 4.170 0.000 0.000 0.286 357 I C -0.303 175.149 176.117 -1.109 0.000 1.009 357 I CA -0.408 60.276 61.300 -1.028 0.000 1.111 357 I CB 1.904 39.083 38.000 -1.368 0.000 1.262 357 I HN 0.580 nan 8.210 nan 0.000 0.443 358 T N 4.656 118.656 114.554 -0.923 0.000 2.912 358 T HA 0.728 5.078 4.350 0.000 0.000 0.299 358 T C -0.765 173.767 174.700 -0.280 0.000 1.052 358 T CA -0.487 61.241 62.100 -0.620 0.000 0.996 358 T CB 1.485 69.854 68.868 -0.832 0.000 1.070 358 T HN 0.602 nan 8.240 nan 0.000 0.465 359 A N 2.741 125.507 122.820 -0.090 0.000 2.362 359 A HA 0.681 5.001 4.320 0.000 0.000 0.276 359 A C 0.656 178.253 177.584 0.022 0.000 1.153 359 A CA -0.212 51.819 52.037 -0.010 0.000 0.813 359 A CB -0.068 18.955 19.000 0.038 0.000 1.081 359 A HN 1.186 nan 8.150 nan 0.000 0.507 360 A N 3.579 126.410 122.820 0.018 0.000 2.910 360 A HA 0.369 4.689 4.320 0.000 0.000 0.316 360 A C 1.078 178.712 177.584 0.084 0.000 1.493 360 A CA -0.300 51.786 52.037 0.081 0.000 1.150 360 A CB -0.753 18.282 19.000 0.058 0.000 1.159 360 A HN 0.992 nan 8.150 nan 0.000 0.526 361 N N 2.539 121.295 118.700 0.095 0.000 2.069 361 N HA -0.208 4.532 4.740 0.000 0.000 0.191 361 N C 1.402 176.870 175.510 -0.069 0.000 1.031 361 N CA 2.087 55.154 53.050 0.028 0.000 0.852 361 N CB -0.501 38.006 38.487 0.034 0.000 1.018 361 N HN 0.467 nan 8.380 nan 0.000 0.423 362 A N -0.110 122.580 122.820 -0.217 0.000 2.121 362 A HA 0.053 4.373 4.320 0.000 0.000 0.218 362 A C 1.994 179.340 177.584 -0.396 0.000 1.154 362 A CA 0.685 52.417 52.037 -0.509 0.000 0.679 362 A CB -0.386 17.868 19.000 -1.243 0.000 0.795 362 A HN 0.354 nan 8.150 nan 0.000 0.458 363 R N -0.623 119.754 120.500 -0.206 0.000 2.393 363 R HA 0.092 4.432 4.340 0.000 0.000 0.244 363 R C -0.279 176.004 176.300 -0.028 0.000 0.920 363 R CA 0.056 56.106 56.100 -0.083 0.000 1.076 363 R CB 0.175 30.491 30.300 0.027 0.000 1.119 363 R HN 0.446 nan 8.270 nan 0.000 0.524 364 N N 1.545 120.235 118.700 -0.016 0.000 2.725 364 N HA -0.164 4.576 4.740 0.000 0.000 0.249 364 N C -0.976 174.559 175.510 0.041 0.000 1.103 364 N CA 1.317 54.386 53.050 0.032 0.000 0.707 364 N CB -0.619 37.883 38.487 0.026 0.000 1.043 364 N HN 0.188 nan 8.380 nan 0.000 0.553 365 K N 0.382 120.796 120.400 0.023 0.000 2.267 365 K HA 0.578 4.898 4.320 0.000 0.000 0.246 365 K C 0.489 177.081 176.600 -0.014 0.000 0.954 365 K CA -0.608 55.683 56.287 0.007 0.000 0.824 365 K CB 1.858 34.352 32.500 -0.009 0.000 1.167 365 K HN 0.037 nan 8.250 nan 0.000 0.431 366 L N 1.595 122.796 121.223 -0.037 0.000 2.322 366 L HA 0.444 4.784 4.340 0.000 0.000 0.281 366 L C -0.429 176.336 176.870 -0.176 0.000 1.014 366 L CA -1.208 53.573 54.840 -0.099 0.000 0.815 366 L CB 1.826 43.845 42.059 -0.066 0.000 1.247 366 L HN 0.122 nan 8.230 nan 0.000 0.421 367 V N 4.075 123.832 119.914 -0.261 0.000 2.483 367 V HA 0.467 4.587 4.120 0.000 0.000 0.295 367 V C -0.109 175.726 176.094 -0.432 0.000 1.035 367 V CA -0.602 61.519 62.300 -0.299 0.000 0.896 367 V CB 2.240 33.902 31.823 -0.267 0.000 0.986 367 V HN 0.420 nan 8.190 nan 0.000 0.447 368 V N 5.738 125.380 119.914 -0.454 0.000 2.487 368 V HA 0.519 4.639 4.120 0.000 0.000 0.298 368 V C -0.525 175.294 176.094 -0.459 0.000 1.028 368 V CA -0.529 61.408 62.300 -0.605 0.000 0.860 368 V CB 1.821 33.031 31.823 -1.021 0.000 0.991 368 V HN 0.570 nan 8.190 nan 0.000 0.427 369 I N 3.282 123.676 120.570 -0.292 0.000 2.441 369 I HA 0.404 4.574 4.170 0.000 0.000 0.295 369 I C -0.187 175.892 176.117 -0.062 0.000 0.994 369 I CA -0.479 60.742 61.300 -0.131 0.000 1.144 369 I CB 1.849 39.865 38.000 0.027 0.000 1.314 369 I HN 0.611 nan 8.210 nan 0.000 0.445 370 D N 4.089 124.457 120.400 -0.052 0.000 2.339 370 D HA 0.091 4.731 4.640 0.000 0.000 0.241 370 D C 1.239 177.424 176.300 -0.192 0.000 1.183 370 D CA -0.123 53.822 54.000 -0.093 0.000 0.859 370 D CB 1.151 41.947 40.800 -0.007 0.000 1.067 370 D HN 0.681 nan 8.370 nan 0.000 0.484 371 T N 1.056 115.445 114.554 -0.276 0.000 3.085 371 T HA -0.081 4.269 4.350 0.000 0.000 0.263 371 T C 1.549 176.123 174.700 -0.210 0.000 1.127 371 T CA 0.723 62.699 62.100 -0.207 0.000 1.103 371 T CB 0.134 68.909 68.868 -0.155 0.000 0.921 371 T HN 0.380 nan 8.240 nan 0.000 0.510 372 K N 0.778 120.980 120.400 -0.330 0.000 2.021 372 K HA 0.002 4.322 4.320 0.000 0.000 0.205 372 K C 2.076 178.615 176.600 -0.101 0.000 1.047 372 K CA 0.917 57.093 56.287 -0.185 0.000 0.943 372 K CB 0.122 32.460 32.500 -0.271 0.000 0.725 372 K HN 0.125 nan 8.250 nan 0.000 0.439 373 E N -0.169 119.964 120.200 -0.112 0.000 2.435 373 E HA 0.035 4.385 4.350 0.000 0.000 0.195 373 E C 0.457 177.017 176.600 -0.067 0.000 1.029 373 E CA 0.794 57.156 56.400 -0.064 0.000 0.865 373 E CB 0.443 30.119 29.700 -0.040 0.000 0.833 373 E HN 0.583 nan 8.360 nan 0.000 0.510 374 G N 2.582 111.329 108.800 -0.088 0.000 2.324 374 G HA2 -0.296 3.664 3.960 0.000 0.000 0.292 374 G HA3 -0.296 3.664 3.960 0.000 0.000 0.292 374 G C -0.073 174.786 174.900 -0.069 0.000 1.079 374 G CA 0.972 46.022 45.100 -0.084 0.000 1.026 374 G HN 0.341 nan 8.290 nan 0.000 0.506 375 K N -1.312 119.046 120.400 -0.069 0.000 2.597 375 K HA 0.711 5.031 4.320 0.000 0.000 0.282 375 K C -0.566 175.984 176.600 -0.083 0.000 0.975 375 K CA -1.432 54.816 56.287 -0.064 0.000 0.867 375 K CB 1.239 33.709 32.500 -0.049 0.000 1.465 375 K HN 0.671 nan 8.250 nan 0.000 0.417 376 L N 1.911 123.079 121.223 -0.092 0.000 2.453 376 L HA 0.172 4.512 4.340 0.000 0.000 0.272 376 L C -0.018 176.767 176.870 -0.141 0.000 1.182 376 L CA 0.402 55.163 54.840 -0.131 0.000 0.858 376 L CB 1.419 43.404 42.059 -0.123 0.000 1.120 376 L HN 0.692 nan 8.230 nan 0.000 0.474 377 V N 4.162 123.940 119.914 -0.227 0.000 3.539 377 V HA 0.642 4.762 4.120 0.000 0.000 0.262 377 V C 0.309 176.231 176.094 -0.287 0.000 1.381 377 V CA 0.665 62.816 62.300 -0.248 0.000 1.060 377 V CB 0.633 32.264 31.823 -0.319 0.000 0.842 377 V HN 1.005 nan 8.190 nan 0.000 0.445 378 A N -0.174 122.442 122.820 -0.340 0.000 2.597 378 A HA 0.773 5.093 4.320 0.000 0.000 0.292 378 A C -1.739 175.715 177.584 -0.217 0.000 1.057 378 A CA -0.345 51.547 52.037 -0.241 0.000 0.674 378 A CB 1.332 20.189 19.000 -0.239 0.000 1.278 378 A HN 0.090 nan 8.150 nan 0.000 0.416 379 I N 1.306 121.798 120.570 -0.131 0.000 2.534 379 I HA 0.442 4.612 4.170 0.000 0.000 0.286 379 I C -1.094 174.988 176.117 -0.058 0.000 1.094 379 I CA -0.377 60.857 61.300 -0.111 0.000 1.055 379 I CB 2.043 39.986 38.000 -0.095 0.000 1.225 379 I HN 0.546 nan 8.210 nan 0.000 0.435 380 E N 4.314 124.486 120.200 -0.047 0.000 2.293 380 E HA 0.277 4.627 4.350 0.000 0.000 0.270 380 E C -1.397 175.203 176.600 -0.000 0.000 0.879 380 E CA -0.685 55.707 56.400 -0.013 0.000 0.756 380 E CB 3.020 32.723 29.700 0.004 0.000 1.208 380 E HN 0.474 nan 8.360 nan 0.000 0.428 381 D N 1.179 121.584 120.400 0.007 0.000 2.351 381 D HA 0.025 4.665 4.640 0.000 0.000 0.251 381 D C 0.979 177.298 176.300 0.031 0.000 1.137 381 D CA 0.195 54.206 54.000 0.018 0.000 0.879 381 D CB 1.184 41.990 40.800 0.010 0.000 1.181 381 D HN 0.440 nan 8.370 nan 0.000 0.448 382 T N 0.562 115.156 114.554 0.067 0.000 3.067 382 T HA 0.157 4.507 4.350 0.000 0.000 0.261 382 T C 1.496 176.216 174.700 0.034 0.000 1.110 382 T CA 0.735 62.895 62.100 0.099 0.000 1.113 382 T CB 0.086 69.117 68.868 0.271 0.000 0.917 382 T HN 0.652 nan 8.240 nan 0.000 0.499 383 G N 0.392 109.191 108.800 -0.002 0.000 2.179 383 G HA2 -0.050 3.910 3.960 0.000 0.000 0.260 383 G HA3 -0.050 3.910 3.960 0.000 0.000 0.260 383 G C 0.398 175.215 174.900 -0.139 0.000 0.977 383 G CA -0.007 45.061 45.100 -0.053 0.000 0.641 383 G HN 1.082 nan 8.290 nan 0.000 0.533 384 G N -1.469 107.190 108.800 -0.235 0.000 2.820 384 G HA2 0.627 4.587 3.960 0.000 0.000 0.291 384 G HA3 0.627 4.587 3.960 0.000 0.000 0.291 384 G C -0.716 174.042 174.900 -0.237 0.000 1.323 384 G CA -0.429 44.325 45.100 -0.577 0.000 1.055 384 G HN 0.218 nan 8.290 nan 0.000 0.520 385 Q N 0.542 120.239 119.800 -0.173 0.000 2.333 385 Q HA 0.431 4.771 4.340 0.000 0.000 0.265 385 Q C -0.530 175.565 176.000 0.159 0.000 0.989 385 Q CA -0.310 55.501 55.803 0.013 0.000 0.842 385 Q CB 1.269 29.991 28.738 -0.026 0.000 1.262 385 Q HN 0.711 nan 8.270 nan 0.000 0.451 386 T N 2.484 117.119 114.554 0.135 0.000 3.318 386 T HA -0.094 4.256 4.350 0.000 0.000 0.428 386 T C -2.450 172.318 174.700 0.114 0.000 0.768 386 T CA -0.198 61.958 62.100 0.094 0.000 2.218 386 T CB -1.117 67.773 68.868 0.036 0.000 1.689 386 T HN 0.438 nan 8.240 nan 0.000 0.671 387 P HA 0.098 nan 4.420 nan 0.000 0.267 387 P C -0.266 176.987 177.300 -0.079 0.000 1.205 387 P CA 0.285 63.208 63.100 -0.295 0.000 0.765 387 P CB 0.520 32.060 31.700 -0.266 0.000 0.828 388 H N 5.908 124.856 119.070 -0.204 0.000 2.761 388 H HA 0.218 4.774 4.556 0.000 0.000 0.263 388 H C -2.132 173.102 175.328 -0.158 0.000 1.292 388 H CA -1.932 54.043 56.048 -0.121 0.000 1.540 388 H CB 1.594 31.270 29.762 -0.143 0.000 1.569 388 H HN 0.218 nan 8.280 nan 0.000 0.510 389 P HA 0.080 nan 4.420 nan 0.000 0.227 389 P C 1.005 178.266 177.300 -0.066 0.000 1.161 389 P CA 1.528 64.543 63.100 -0.142 0.000 0.788 389 P CB 1.235 32.938 31.700 0.006 0.000 0.822 390 G N 1.553 110.264 108.800 -0.148 0.000 2.531 390 G HA2 -0.332 3.628 3.960 0.000 0.000 0.274 390 G HA3 -0.332 3.628 3.960 0.000 0.000 0.274 390 G C 0.848 175.818 174.900 0.118 0.000 1.159 390 G CA 0.308 45.500 45.100 0.154 0.000 0.969 390 G HN 0.266 nan 8.290 nan 0.000 0.554 391 R N 1.569 122.107 120.500 0.062 0.000 2.297 391 R HA 0.443 4.783 4.340 0.000 0.000 0.197 391 R C 1.453 177.813 176.300 0.100 0.000 0.943 391 R CA 1.228 57.273 56.100 -0.093 0.000 1.038 391 R CB -0.082 29.794 30.300 -0.707 0.000 0.957 391 R HN 2.085 nan 8.270 nan 0.000 0.484 392 G N 0.368 109.181 108.800 0.021 0.000 2.698 392 G HA2 -0.065 3.895 3.960 0.000 0.000 0.225 392 G HA3 -0.065 3.895 3.960 0.000 0.000 0.225 392 G C -1.059 173.743 174.900 -0.163 0.000 1.345 392 G CA -0.524 44.376 45.100 -0.333 0.000 0.871 392 G HN 0.352 nan 8.290 nan 0.000 0.540 393 A N 0.220 122.811 122.820 -0.381 0.000 2.411 393 A HA 0.717 5.037 4.320 0.000 0.000 0.285 393 A C -0.231 177.441 177.584 0.147 0.000 1.129 393 A CA -0.517 51.558 52.037 0.063 0.000 0.736 393 A CB 0.848 19.949 19.000 0.169 0.000 1.186 393 A HN 0.755 nan 8.150 nan 0.000 0.445 394 N N 2.079 120.964 118.700 0.309 0.000 2.455 394 N HA 0.741 5.481 4.740 0.000 0.000 0.280 394 N C -0.853 174.845 175.510 0.314 0.000 1.055 394 N CA 0.356 53.575 53.050 0.283 0.000 0.961 394 N CB 1.362 40.011 38.487 0.270 0.000 1.121 394 N HN 0.656 nan 8.380 nan 0.000 0.476 395 F N -1.910 118.124 119.950 0.140 0.000 2.779 395 F HA 0.531 5.058 4.527 0.000 0.000 0.316 395 F C -1.222 174.642 175.800 0.107 0.000 1.164 395 F CA -1.215 56.851 58.000 0.109 0.000 0.924 395 F CB 0.652 39.725 39.000 0.122 0.000 1.348 395 F HN -0.023 nan 8.300 nan 0.000 0.467 396 V N 2.297 122.404 119.914 0.322 0.000 2.318 396 V HA 0.222 4.342 4.120 0.000 0.000 0.271 396 V C -0.174 176.119 176.094 0.331 0.000 1.030 396 V CA -0.411 62.004 62.300 0.191 0.000 0.844 396 V CB 0.291 32.192 31.823 0.130 0.000 1.015 396 V HN 0.837 nan 8.190 nan 0.000 0.460 397 H N 7.775 126.934 119.070 0.148 0.000 2.722 397 H HA 0.206 4.762 4.556 0.000 0.000 0.328 397 H C -1.839 173.546 175.328 0.095 0.000 1.067 397 H CA -1.703 54.488 56.048 0.239 0.000 1.447 397 H CB 2.190 32.081 29.762 0.213 0.000 1.469 397 H HN 0.325 nan 8.280 nan 0.000 0.544 398 P HA -0.174 nan 4.420 nan 0.000 0.216 398 P C 1.306 178.617 177.300 0.019 0.000 1.154 398 P CA 2.592 65.654 63.100 -0.064 0.000 0.865 398 P CB 0.265 31.866 31.700 -0.165 0.000 0.789 399 T N -6.030 108.574 114.554 0.083 0.000 3.018 399 T HA 0.099 4.449 4.350 0.000 0.000 0.246 399 T C 1.424 176.120 174.700 -0.007 0.000 1.026 399 T CA 0.137 62.229 62.100 -0.013 0.000 1.081 399 T CB -0.835 67.915 68.868 -0.197 0.000 0.970 399 T HN -0.163 nan 8.240 nan 0.000 0.475 400 F N 2.690 122.759 119.950 0.200 0.000 2.512 400 F HA 0.505 5.032 4.527 0.000 0.000 0.296 400 F C 1.982 177.584 175.800 -0.330 0.000 1.110 400 F CA 0.073 57.995 58.000 -0.130 0.000 1.446 400 F CB -0.675 38.090 39.000 -0.391 0.000 1.092 400 F HN 0.630 nan 8.300 nan 0.000 0.554 401 G N -0.386 108.353 108.800 -0.103 0.000 2.548 401 G HA2 -0.167 3.793 3.960 0.000 0.000 0.208 401 G HA3 -0.167 3.793 3.960 0.000 0.000 0.208 401 G C -2.842 171.909 174.900 -0.249 0.000 1.308 401 G CA -1.314 43.516 45.100 -0.450 0.000 0.924 401 G HN -0.069 nan 8.290 nan 0.000 0.540 402 P HA 0.392 nan 4.420 nan 0.000 0.261 402 P C 0.206 177.369 177.300 -0.228 0.000 1.183 402 P CA 0.687 63.685 63.100 -0.169 0.000 0.761 402 P CB 0.910 32.543 31.700 -0.113 0.000 0.785 403 V N 1.139 120.890 119.914 -0.272 0.000 3.130 403 V HA 0.730 4.850 4.120 0.000 0.000 0.310 403 V C -1.686 174.318 176.094 -0.151 0.000 1.158 403 V CA -1.235 60.901 62.300 -0.275 0.000 1.029 403 V CB 2.375 33.954 31.823 -0.406 0.000 1.057 403 V HN 0.567 nan 8.190 nan 0.000 0.436 404 W N 2.047 123.237 121.300 -0.184 0.000 2.702 404 W HA 0.870 5.530 4.660 0.000 0.000 0.331 404 W C -0.368 176.143 176.519 -0.013 0.000 1.049 404 W CA -0.148 57.175 57.345 -0.036 0.000 1.230 404 W CB 1.882 31.381 29.460 0.066 0.000 1.408 404 W HN 1.050 nan 8.180 nan 0.000 0.492 405 A N 3.316 125.923 122.820 -0.355 0.000 2.356 405 A HA 0.804 5.124 4.320 0.000 0.000 0.323 405 A C -0.989 176.144 177.584 -0.751 0.000 1.119 405 A CA -0.567 51.272 52.037 -0.330 0.000 0.790 405 A CB 1.929 20.937 19.000 0.013 0.000 1.273 405 A HN 0.525 nan 8.150 nan 0.000 0.452 406 T N -0.073 114.212 114.554 -0.448 0.000 2.916 406 T HA 0.643 4.993 4.350 0.000 0.000 0.305 406 T C 0.038 174.578 174.700 -0.267 0.000 1.119 406 T CA 0.197 62.041 62.100 -0.427 0.000 1.008 406 T CB 1.082 69.740 68.868 -0.349 0.000 1.129 406 T HN 1.460 nan 8.240 nan 0.000 0.480 407 S N 2.795 118.371 115.700 -0.206 0.000 2.718 407 S HA 0.780 5.250 4.470 0.000 0.000 0.292 407 S C -0.902 173.562 174.600 -0.226 0.000 1.125 407 S CA -0.588 57.555 58.200 -0.095 0.000 1.013 407 S CB 0.722 63.922 63.200 0.001 0.000 1.192 407 S HN 0.840 nan 8.310 nan 0.000 0.535 408 H N -1.052 118.003 119.070 -0.026 0.000 2.768 408 H HA 0.480 5.036 4.556 0.000 0.000 0.371 408 H C 0.407 175.725 175.328 -0.017 0.000 1.151 408 H CA -0.697 55.345 56.048 -0.011 0.000 1.165 408 H CB 1.478 31.225 29.762 -0.025 0.000 1.722 408 H HN 0.492 nan 8.280 nan 0.000 0.543 409 M N 0.900 120.553 119.600 0.089 0.000 2.236 409 M HA 0.032 4.512 4.480 0.000 0.000 0.266 409 M C 1.925 178.243 176.300 0.031 0.000 1.070 409 M CA 1.694 57.004 55.300 0.017 0.000 1.137 409 M CB 0.134 32.717 32.600 -0.029 0.000 1.378 409 M HN 0.854 nan 8.290 nan 0.000 0.426 410 G N 0.278 109.111 108.800 0.054 0.000 2.880 410 G HA2 0.016 3.976 3.960 0.000 0.000 0.209 410 G HA3 0.016 3.976 3.960 0.000 0.000 0.209 410 G C -0.242 174.661 174.900 0.005 0.000 1.157 410 G CA 0.285 45.398 45.100 0.021 0.000 0.779 410 G HN 0.547 nan 8.290 nan 0.000 0.539 411 D N -1.878 118.531 120.400 0.014 0.000 2.713 411 D HA 0.136 4.776 4.640 0.000 0.000 0.306 411 D C -0.226 176.074 176.300 -0.000 0.000 1.299 411 D CA -0.461 53.526 54.000 -0.022 0.000 0.823 411 D CB 0.119 40.871 40.800 -0.081 0.000 1.353 411 D HN -0.042 nan 8.370 nan 0.000 0.447 412 D N -0.946 119.450 120.400 -0.006 0.000 2.328 412 D HA 0.076 4.716 4.640 0.000 0.000 0.226 412 D C 0.208 176.516 176.300 0.014 0.000 1.066 412 D CA -0.052 53.959 54.000 0.017 0.000 0.861 412 D CB -0.430 40.390 40.800 0.035 0.000 0.912 412 D HN 0.401 nan 8.370 nan 0.000 0.521 413 S N -0.520 115.153 115.700 -0.045 0.000 2.601 413 S HA 0.461 4.931 4.470 0.000 0.000 0.271 413 S C -0.034 174.550 174.600 -0.026 0.000 1.305 413 S CA -0.823 57.322 58.200 -0.092 0.000 1.022 413 S CB 1.748 64.812 63.200 -0.225 0.000 0.940 413 S HN -0.026 nan 8.310 nan 0.000 0.525 414 V N 1.955 121.702 119.914 -0.278 0.000 2.448 414 V HA 0.757 4.877 4.120 0.000 0.000 0.295 414 V C 0.300 176.091 176.094 -0.506 0.000 1.025 414 V CA -0.473 61.567 62.300 -0.434 0.000 0.859 414 V CB 1.020 32.366 31.823 -0.795 0.000 0.988 414 V HN 1.215 nan 8.190 nan 0.000 0.431 415 A N 6.030 128.730 122.820 -0.201 0.000 2.340 415 A HA 0.940 5.260 4.320 0.000 0.000 0.331 415 A C -1.002 176.530 177.584 -0.087 0.000 1.140 415 A CA -0.605 51.363 52.037 -0.114 0.000 0.801 415 A CB 1.129 20.172 19.000 0.071 0.000 1.234 415 A HN 0.775 nan 8.150 nan 0.000 0.469 416 L N 2.528 123.717 121.223 -0.056 0.000 2.362 416 L HA 0.598 4.938 4.340 0.000 0.000 0.275 416 L C -0.689 176.150 176.870 -0.051 0.000 0.998 416 L CA -0.384 54.439 54.840 -0.028 0.000 0.820 416 L CB 1.738 43.791 42.059 -0.011 0.000 1.270 416 L HN 0.733 nan 8.230 nan 0.000 0.415 417 I N 1.190 121.776 120.570 0.027 0.000 2.474 417 I HA 0.558 4.728 4.170 0.000 0.000 0.294 417 I C 0.471 176.527 176.117 -0.103 0.000 1.005 417 I CA -0.375 60.927 61.300 0.002 0.000 1.113 417 I CB 1.942 40.033 38.000 0.153 0.000 1.289 417 I HN 0.649 nan 8.210 nan 0.000 0.436 418 G N 3.162 111.812 108.800 -0.249 0.000 2.378 418 G HA2 0.319 4.279 3.960 0.000 0.000 0.255 418 G HA3 0.319 4.279 3.960 0.000 0.000 0.255 418 G C 0.447 174.971 174.900 -0.626 0.000 1.270 418 G CA 0.094 44.959 45.100 -0.392 0.000 0.876 418 G HN 0.736 nan 8.290 nan 0.000 0.521 419 T N -1.093 113.131 114.554 -0.551 0.000 3.228 419 T HA 0.225 4.575 4.350 0.000 0.000 0.278 419 T C -0.112 174.229 174.700 -0.598 0.000 1.014 419 T CA -0.386 61.286 62.100 -0.713 0.000 0.904 419 T CB 0.520 69.309 68.868 -0.132 0.000 1.110 419 T HN 0.384 nan 8.240 nan 0.000 0.541 420 D N 1.754 121.825 120.400 -0.549 0.000 2.404 420 D HA 0.377 5.017 4.640 0.000 0.000 0.267 420 D C -2.028 174.109 176.300 -0.271 0.000 1.194 420 D CA -2.452 51.393 54.000 -0.258 0.000 0.910 420 D CB 1.911 42.698 40.800 -0.022 0.000 1.090 420 D HN -0.034 nan 8.370 nan 0.000 0.511 421 P HA -0.079 nan 4.420 nan 0.000 0.223 421 P C 1.029 178.292 177.300 -0.062 0.000 1.151 421 P CA 0.681 63.653 63.100 -0.214 0.000 0.787 421 P CB 0.645 32.290 31.700 -0.092 0.000 0.788 422 E N 0.141 120.335 120.200 -0.009 0.000 2.033 422 E HA -0.017 4.333 4.350 0.000 0.000 0.189 422 E C 2.110 178.696 176.600 -0.022 0.000 0.979 422 E CA 1.712 58.119 56.400 0.012 0.000 0.802 422 E CB -1.192 28.536 29.700 0.047 0.000 0.763 422 E HN 0.141 nan 8.360 nan 0.000 0.449 423 G N -1.761 107.023 108.800 -0.026 0.000 2.887 423 G HA2 -0.019 3.941 3.960 0.000 0.000 0.211 423 G HA3 -0.019 3.941 3.960 0.000 0.000 0.211 423 G C 0.257 174.972 174.900 -0.309 0.000 1.152 423 G CA -0.054 44.965 45.100 -0.135 0.000 0.769 423 G HN 0.249 nan 8.290 nan 0.000 0.541 424 H N 0.235 119.256 119.070 -0.083 0.000 2.616 424 H HA 0.149 4.705 4.556 0.000 0.000 0.229 424 H C -1.763 173.480 175.328 -0.142 0.000 1.418 424 H CA -0.976 55.017 56.048 -0.093 0.000 1.248 424 H CB 1.821 31.525 29.762 -0.096 0.000 1.822 424 H HN 0.204 nan 8.280 nan 0.000 0.522 425 P HA -0.159 nan 4.420 nan 0.000 0.218 425 P C 1.121 178.376 177.300 -0.075 0.000 1.148 425 P CA 1.238 64.292 63.100 -0.077 0.000 0.822 425 P CB 0.571 32.243 31.700 -0.047 0.000 0.784 426 D N -0.996 119.380 120.400 -0.040 0.000 2.317 426 D HA -0.073 4.567 4.640 0.000 0.000 0.211 426 D C 1.431 177.694 176.300 -0.061 0.000 0.966 426 D CA 0.662 54.642 54.000 -0.034 0.000 0.876 426 D CB -0.263 40.534 40.800 -0.005 0.000 0.927 426 D HN -0.064 nan 8.370 nan 0.000 0.519 427 N N -0.022 118.627 118.700 -0.085 0.000 2.325 427 N HA 0.180 4.920 4.740 0.000 0.000 0.182 427 N C -0.074 175.263 175.510 -0.288 0.000 1.088 427 N CA 0.149 53.102 53.050 -0.162 0.000 0.879 427 N CB 0.193 38.597 38.487 -0.139 0.000 0.983 427 N HN 0.083 nan 8.380 nan 0.000 0.471 428 A N 0.304 122.902 122.820 -0.371 0.000 2.524 428 A HA 0.135 4.455 4.320 0.000 0.000 0.250 428 A C -0.075 177.134 177.584 -0.624 0.000 1.078 428 A CA -0.082 51.492 52.037 -0.772 0.000 0.761 428 A CB -0.720 17.740 19.000 -0.900 0.000 1.012 428 A HN 0.529 nan 8.150 nan 0.000 0.500 429 W N -0.092 121.099 121.300 -0.181 0.000 4.141 429 W HA -0.208 4.452 4.660 0.000 0.000 0.336 429 W C 0.301 176.738 176.519 -0.136 0.000 1.258 429 W CA 0.739 57.981 57.345 -0.172 0.000 0.747 429 W CB -1.367 27.986 29.460 -0.178 0.000 2.338 429 W HN 0.596 nan 8.180 nan 0.000 1.410 430 K N 0.519 120.900 120.400 -0.030 0.000 2.207 430 K HA 0.446 4.766 4.320 0.000 0.000 0.255 430 K C 0.276 176.813 176.600 -0.104 0.000 0.941 430 K CA -0.779 55.469 56.287 -0.064 0.000 0.825 430 K CB 0.734 33.161 32.500 -0.121 0.000 1.119 430 K HN -0.135 nan 8.250 nan 0.000 0.430 431 I N 5.893 126.416 120.570 -0.078 0.000 2.494 431 I HA -0.011 4.159 4.170 0.000 0.000 0.289 431 I C 0.839 176.840 176.117 -0.193 0.000 1.106 431 I CA 0.481 61.724 61.300 -0.096 0.000 1.369 431 I CB -0.107 37.868 38.000 -0.042 0.000 1.410 431 I HN 0.623 nan 8.210 nan 0.000 0.523 432 L N 4.086 125.105 121.223 -0.339 0.000 2.477 432 L HA 0.203 4.543 4.340 0.000 0.000 0.220 432 L C 0.316 176.928 176.870 -0.429 0.000 1.106 432 L CA 0.527 54.986 54.840 -0.634 0.000 0.851 432 L CB -0.039 41.200 42.059 -1.367 0.000 0.994 432 L HN 0.573 nan 8.230 nan 0.000 0.462 433 D N -1.753 118.549 120.400 -0.164 0.000 2.648 433 D HA 0.351 4.991 4.640 0.000 0.000 0.244 433 D C -1.536 174.791 176.300 0.045 0.000 1.244 433 D CA -0.210 53.836 54.000 0.076 0.000 0.772 433 D CB 2.119 43.117 40.800 0.329 0.000 1.379 433 D HN -0.268 nan 8.370 nan 0.000 0.428 434 S N 1.098 116.856 115.700 0.096 0.000 2.649 434 S HA 0.755 5.225 4.470 0.000 0.000 0.274 434 S C -1.707 172.935 174.600 0.070 0.000 1.176 434 S CA -0.670 57.494 58.200 -0.061 0.000 0.988 434 S CB -0.047 63.129 63.200 -0.041 0.000 1.071 434 S HN 0.346 nan 8.310 nan 0.000 0.478 435 F N 2.353 122.326 119.950 0.038 0.000 2.645 435 F HA 0.840 5.367 4.527 0.000 0.000 0.310 435 F C -2.997 172.857 175.800 0.089 0.000 1.102 435 F CA -2.362 55.683 58.000 0.075 0.000 0.952 435 F CB 0.791 39.852 39.000 0.101 0.000 1.326 435 F HN 0.257 nan 8.300 nan 0.000 0.456 436 P HA 0.476 nan 4.420 nan 0.000 0.284 436 P C -0.938 176.608 177.300 0.410 0.000 1.253 436 P CA 0.071 63.343 63.100 0.286 0.000 0.800 436 P CB 1.877 33.721 31.700 0.241 0.000 0.961 437 A N 2.835 125.767 122.820 0.187 0.000 3.944 437 A HA 0.420 4.740 4.320 0.000 0.000 0.151 437 A C 1.677 179.052 177.584 -0.348 0.000 1.301 437 A CA -0.444 51.547 52.037 -0.076 0.000 1.020 437 A CB -0.664 18.393 19.000 0.094 0.000 1.627 437 A HN 0.451 nan 8.150 nan 0.000 0.661 438 L N -0.556 120.440 121.223 -0.377 0.000 2.056 438 L HA 0.225 4.565 4.340 0.000 0.000 0.207 438 L C 1.296 178.154 176.870 -0.020 0.000 1.078 438 L CA 1.326 56.063 54.840 -0.172 0.000 0.749 438 L CB -0.377 41.602 42.059 -0.133 0.000 0.901 438 L HN 0.911 nan 8.230 nan 0.000 0.433 439 G N -2.282 106.509 108.800 -0.015 0.000 2.322 439 G HA2 0.365 4.325 3.960 0.000 0.000 0.295 439 G HA3 0.365 4.325 3.960 0.000 0.000 0.295 439 G C -0.744 174.162 174.900 0.010 0.000 1.369 439 G CA -0.414 44.692 45.100 0.011 0.000 0.821 439 G HN 0.155 nan 8.290 nan 0.000 0.536 440 G N -1.709 107.098 108.800 0.011 0.000 2.684 440 G HA2 0.541 4.501 3.960 0.000 0.000 0.255 440 G HA3 0.541 4.501 3.960 0.000 0.000 0.255 440 G C 1.339 176.245 174.900 0.010 0.000 1.219 440 G CA 1.223 46.330 45.100 0.013 0.000 0.901 440 G HN 2.382 nan 8.290 nan 0.000 0.548 441 G N -1.765 107.040 108.800 0.007 0.000 2.136 441 G HA2 -0.159 3.801 3.960 0.000 0.000 0.242 441 G HA3 -0.159 3.801 3.960 0.000 0.000 0.242 441 G C 0.576 175.474 174.900 -0.004 0.000 0.989 441 G CA 0.788 45.886 45.100 -0.003 0.000 0.682 441 G HN 1.384 nan 8.290 nan 0.000 0.522 442 S N -0.902 114.801 115.700 0.004 0.000 2.565 442 S HA 0.675 5.145 4.470 0.000 0.000 0.276 442 S C 1.508 176.070 174.600 -0.062 0.000 1.326 442 S CA -0.130 58.076 58.200 0.011 0.000 1.045 442 S CB 0.969 64.192 63.200 0.037 0.000 0.918 442 S HN 0.402 nan 8.310 nan 0.000 0.505 443 L N 2.814 123.983 121.223 -0.090 0.000 2.624 443 L HA 0.463 4.803 4.340 0.000 0.000 0.222 443 L C -0.746 175.826 176.870 -0.498 0.000 1.046 443 L CA 0.148 54.752 54.840 -0.394 0.000 0.872 443 L CB 0.257 42.030 42.059 -0.477 0.000 1.190 443 L HN 0.521 nan 8.230 nan 0.000 0.487 444 F N -0.219 119.849 119.950 0.197 0.000 2.565 444 F HA 0.532 5.059 4.527 0.000 0.000 0.313 444 F C -0.463 175.442 175.800 0.175 0.000 1.091 444 F CA -0.729 57.384 58.000 0.189 0.000 0.915 444 F CB 2.354 41.463 39.000 0.182 0.000 1.208 444 F HN -0.306 nan 8.300 nan 0.000 0.453 445 I N 2.826 123.585 120.570 0.315 0.000 2.569 445 I HA 0.666 4.836 4.170 0.000 0.000 0.296 445 I C -1.402 174.889 176.117 0.291 0.000 1.028 445 I CA -0.617 60.839 61.300 0.259 0.000 1.082 445 I CB 1.693 39.760 38.000 0.111 0.000 1.264 445 I HN 0.595 nan 8.210 nan 0.000 0.429 446 K N 3.775 124.404 120.400 0.381 0.000 2.546 446 K HA 0.692 5.012 4.320 0.000 0.000 0.264 446 K C -1.177 175.769 176.600 0.576 0.000 0.937 446 K CA -0.414 56.127 56.287 0.423 0.000 0.833 446 K CB 2.213 34.934 32.500 0.368 0.000 1.378 446 K HN 0.665 nan 8.250 nan 0.000 0.432 447 T N 0.402 115.263 114.554 0.511 0.000 2.671 447 T HA 0.485 4.835 4.350 0.000 0.000 0.300 447 T C -2.178 172.548 174.700 0.043 0.000 1.238 447 T CA -0.439 61.922 62.100 0.435 0.000 1.020 447 T CB 0.748 69.815 68.868 0.331 0.000 1.503 447 T HN 0.575 nan 8.240 nan 0.000 0.497 448 H N 0.028 118.899 119.070 -0.331 0.000 3.079 448 H HA 0.347 4.903 4.556 0.000 0.000 0.356 448 H C -2.422 172.790 175.328 -0.194 0.000 1.221 448 H CA -1.370 54.394 56.048 -0.473 0.000 1.185 448 H CB 2.380 31.381 29.762 -1.267 0.000 1.882 448 H HN 0.329 nan 8.280 nan 0.000 0.543 449 P HA -0.114 nan 4.420 nan 0.000 0.216 449 P C 0.724 178.087 177.300 0.105 0.000 1.150 449 P CA 1.159 64.218 63.100 -0.068 0.000 0.843 449 P CB 0.397 32.002 31.700 -0.158 0.000 0.787 450 N N -1.231 117.673 118.700 0.340 0.000 2.521 450 N HA 0.002 4.742 4.740 0.000 0.000 0.188 450 N C 0.459 176.044 175.510 0.126 0.000 1.146 450 N CA 0.492 53.662 53.050 0.200 0.000 0.893 450 N CB -0.234 38.355 38.487 0.170 0.000 0.975 450 N HN 0.115 nan 8.380 nan 0.000 0.451 451 S N -0.236 115.536 115.700 0.119 0.000 2.600 451 S HA 0.263 4.733 4.470 0.000 0.000 0.300 451 S C 0.418 175.023 174.600 0.008 0.000 1.087 451 S CA -0.715 57.551 58.200 0.109 0.000 0.965 451 S CB 1.427 64.788 63.200 0.268 0.000 1.089 451 S HN 0.275 nan 8.310 nan 0.000 0.496 452 Q N 1.357 121.045 119.800 -0.185 0.000 2.219 452 Q HA 0.258 4.598 4.340 0.000 0.000 0.209 452 Q C -1.129 174.634 176.000 -0.395 0.000 0.854 452 Q CA -0.205 55.406 55.803 -0.320 0.000 0.960 452 Q CB 0.002 28.489 28.738 -0.418 0.000 1.116 452 Q HN 0.611 nan 8.270 nan 0.000 0.500 453 Y N 0.658 121.034 120.300 0.127 0.000 2.446 453 Y HA 0.516 5.066 4.550 0.000 0.000 0.338 453 Y C -0.719 175.261 175.900 0.134 0.000 1.055 453 Y CA -1.884 56.248 58.100 0.053 0.000 1.101 453 Y CB 1.670 40.099 38.460 -0.053 0.000 1.221 453 Y HN 0.066 nan 8.280 nan 0.000 0.460 454 L N 3.923 125.278 121.223 0.221 0.000 2.316 454 L HA 0.514 4.854 4.340 0.000 0.000 0.280 454 L C -1.859 175.219 176.870 0.346 0.000 1.006 454 L CA -0.818 54.189 54.840 0.279 0.000 0.836 454 L CB -0.044 42.075 42.059 0.100 0.000 1.221 454 L HN 0.416 nan 8.230 nan 0.000 0.418 455 Y N 4.152 124.688 120.300 0.393 0.000 2.320 455 Y HA 0.640 5.190 4.550 0.000 0.000 0.334 455 Y C -0.036 176.072 175.900 0.345 0.000 1.055 455 Y CA -0.834 57.492 58.100 0.377 0.000 1.143 455 Y CB 1.609 40.354 38.460 0.475 0.000 1.193 455 Y HN 0.268 nan 8.280 nan 0.000 0.477 456 V N 3.825 123.977 119.914 0.397 0.000 2.525 456 V HA 0.302 4.422 4.120 0.000 0.000 0.299 456 V C -0.599 175.612 176.094 0.195 0.000 1.034 456 V CA -1.077 61.399 62.300 0.294 0.000 0.863 456 V CB 1.490 33.470 31.823 0.262 0.000 0.999 456 V HN 0.800 nan 8.190 nan 0.000 0.423 457 D N 3.838 124.373 120.400 0.226 0.000 2.466 457 D HA 0.720 5.360 4.640 0.000 0.000 0.262 457 D C 0.199 176.554 176.300 0.092 0.000 1.177 457 D CA -0.619 53.474 54.000 0.156 0.000 1.035 457 D CB 1.790 42.745 40.800 0.258 0.000 1.105 457 D HN 0.716 nan 8.370 nan 0.000 0.551 458 A N -0.605 122.253 122.820 0.063 0.000 3.165 458 A HA 0.314 4.634 4.320 0.000 0.000 0.212 458 A C 1.012 178.621 177.584 0.043 0.000 0.935 458 A CA -0.425 51.633 52.037 0.035 0.000 1.100 458 A CB -0.629 18.370 19.000 -0.002 0.000 1.260 458 A HN 0.447 nan 8.150 nan 0.000 0.532 459 T N 0.748 115.355 114.554 0.088 0.000 2.649 459 T HA -0.200 4.150 4.350 0.000 0.000 0.268 459 T C 1.393 176.130 174.700 0.063 0.000 1.036 459 T CA 1.987 64.157 62.100 0.116 0.000 1.157 459 T CB -0.299 68.698 68.868 0.215 0.000 0.861 459 T HN 0.490 nan 8.240 nan 0.000 0.445 460 L N 0.720 121.965 121.223 0.037 0.000 2.653 460 L HA 0.228 4.568 4.340 0.000 0.000 0.231 460 L C 1.011 177.878 176.870 -0.005 0.000 1.153 460 L CA -0.369 54.477 54.840 0.009 0.000 0.933 460 L CB -0.398 41.664 42.059 0.004 0.000 1.175 460 L HN 0.242 nan 8.230 nan 0.000 0.473 461 N N 2.162 120.861 118.700 -0.002 0.000 2.492 461 N HA 0.024 4.764 4.740 0.000 0.000 0.260 461 N C -1.539 173.962 175.510 -0.015 0.000 1.215 461 N CA -0.962 52.084 53.050 -0.007 0.000 0.923 461 N CB 1.644 40.127 38.487 -0.006 0.000 1.092 461 N HN -0.085 nan 8.380 nan 0.000 0.448 462 P HA -0.054 nan 4.420 nan 0.000 0.222 462 P C -0.518 176.769 177.300 -0.022 0.000 1.147 462 P CA 1.163 64.252 63.100 -0.019 0.000 0.790 462 P CB 0.226 31.918 31.700 -0.015 0.000 0.780 463 E N -0.310 119.879 120.200 -0.019 0.000 2.194 463 E HA 0.334 4.684 4.350 0.000 0.000 0.284 463 E C 1.043 177.626 176.600 -0.028 0.000 1.035 463 E CA -0.360 56.027 56.400 -0.021 0.000 0.836 463 E CB 0.997 30.687 29.700 -0.016 0.000 1.070 463 E HN -0.026 nan 8.360 nan 0.000 0.401 464 A N 3.634 126.434 122.820 -0.033 0.000 1.978 464 A HA -0.249 4.071 4.320 0.000 0.000 0.220 464 A C 2.006 179.564 177.584 -0.044 0.000 1.170 464 A CA 1.600 53.613 52.037 -0.039 0.000 0.636 464 A CB -0.238 18.738 19.000 -0.040 0.000 0.810 464 A HN 0.636 nan 8.150 nan 0.000 0.448 465 E N -0.098 120.077 120.200 -0.041 0.000 2.118 465 E HA -0.168 4.182 4.350 0.000 0.000 0.195 465 E C 1.647 178.216 176.600 -0.052 0.000 0.992 465 E CA 1.463 57.835 56.400 -0.048 0.000 0.804 465 E CB -0.140 29.538 29.700 -0.037 0.000 0.741 465 E HN 0.503 nan 8.360 nan 0.000 0.458 466 I N 0.229 120.776 120.570 -0.038 0.000 2.339 466 I HA -0.112 4.058 4.170 0.000 0.000 0.245 466 I C 2.346 178.437 176.117 -0.043 0.000 1.096 466 I CA 1.392 62.670 61.300 -0.036 0.000 1.408 466 I CB -1.550 36.440 38.000 -0.018 0.000 1.092 466 I HN 0.192 nan 8.210 nan 0.000 0.423 467 S N 0.659 116.339 115.700 -0.034 0.000 2.474 467 S HA -0.030 4.440 4.470 0.000 0.000 0.235 467 S C 1.819 176.401 174.600 -0.031 0.000 0.997 467 S CA 0.949 59.136 58.200 -0.022 0.000 0.949 467 S CB -0.826 62.362 63.200 -0.020 0.000 0.766 467 S HN 0.426 nan 8.310 nan 0.000 0.517 468 G N 0.038 108.803 108.800 -0.058 0.000 3.284 468 G HA2 0.490 4.450 3.960 0.000 0.000 0.236 468 G HA3 0.490 4.450 3.960 0.000 0.000 0.236 468 G C 0.027 174.842 174.900 -0.142 0.000 1.158 468 G CA -0.295 44.758 45.100 -0.078 0.000 0.774 468 G HN 0.463 nan 8.290 nan 0.000 0.545 469 S N -1.424 114.188 115.700 -0.146 0.000 2.715 469 S HA 0.747 5.217 4.470 0.000 0.000 0.307 469 S C -1.024 173.443 174.600 -0.223 0.000 1.119 469 S CA -0.508 57.563 58.200 -0.215 0.000 0.937 469 S CB 2.577 65.672 63.200 -0.176 0.000 1.150 469 S HN -0.055 nan 8.310 nan 0.000 0.521 470 V N 1.220 120.965 119.914 -0.281 0.000 2.686 470 V HA 0.705 4.825 4.120 0.000 0.000 0.306 470 V C -0.253 175.731 176.094 -0.184 0.000 1.065 470 V CA -0.763 61.384 62.300 -0.254 0.000 0.894 470 V CB 1.574 33.093 31.823 -0.507 0.000 1.004 470 V HN 1.025 nan 8.190 nan 0.000 0.424 471 A N 4.510 127.232 122.820 -0.164 0.000 2.327 471 A HA 0.825 5.145 4.320 0.000 0.000 0.283 471 A C -0.624 176.842 177.584 -0.196 0.000 1.127 471 A CA -0.362 51.506 52.037 -0.281 0.000 0.810 471 A CB 0.985 19.566 19.000 -0.698 0.000 1.066 471 A HN 0.847 nan 8.150 nan 0.000 0.492 472 V N 2.471 122.213 119.914 -0.286 0.000 2.482 472 V HA 0.447 4.567 4.120 0.000 0.000 0.295 472 V C -1.206 174.733 176.094 -0.260 0.000 1.026 472 V CA -0.302 61.822 62.300 -0.292 0.000 0.856 472 V CB 0.891 32.419 31.823 -0.492 0.000 1.001 472 V HN 0.698 nan 8.190 nan 0.000 0.424 473 F N 1.808 121.769 119.950 0.018 0.000 2.422 473 F HA 0.505 5.032 4.527 0.000 0.000 0.333 473 F C 0.462 176.325 175.800 0.105 0.000 1.095 473 F CA -0.931 57.111 58.000 0.071 0.000 1.038 473 F CB 1.124 40.164 39.000 0.067 0.000 1.156 473 F HN 0.441 nan 8.300 nan 0.000 0.483 474 D N 2.863 123.429 120.400 0.277 0.000 2.365 474 D HA 0.199 4.839 4.640 0.000 0.000 0.237 474 D C 1.104 177.431 176.300 0.046 0.000 1.190 474 D CA 0.178 54.321 54.000 0.239 0.000 0.867 474 D CB 0.565 41.491 40.800 0.211 0.000 1.050 474 D HN 0.516 nan 8.370 nan 0.000 0.491 475 I N 3.402 123.930 120.570 -0.069 0.000 2.208 475 I HA -0.274 3.896 4.170 0.000 0.000 0.245 475 I C 2.236 178.278 176.117 -0.125 0.000 1.097 475 I CA 0.967 62.166 61.300 -0.169 0.000 1.363 475 I CB -0.025 37.802 38.000 -0.288 0.000 1.051 475 I HN 0.359 nan 8.210 nan 0.000 0.413 476 K N 0.739 121.075 120.400 -0.107 0.000 2.280 476 K HA -0.101 4.219 4.320 0.000 0.000 0.202 476 K C 1.924 178.475 176.600 -0.082 0.000 1.047 476 K CA 1.330 57.563 56.287 -0.089 0.000 0.942 476 K CB -0.158 32.295 32.500 -0.079 0.000 0.739 476 K HN 0.348 nan 8.250 nan 0.000 0.457 477 A N 0.672 123.455 122.820 -0.062 0.000 2.238 477 A HA 0.125 4.445 4.320 0.000 0.000 0.210 477 A C 0.788 178.324 177.584 -0.080 0.000 1.179 477 A CA -0.080 51.927 52.037 -0.050 0.000 0.827 477 A CB -0.138 18.855 19.000 -0.012 0.000 0.856 477 A HN 0.121 nan 8.150 nan 0.000 0.488 478 M N 0.457 119.976 119.600 -0.136 0.000 2.245 478 M HA 0.132 4.612 4.480 0.000 0.000 0.344 478 M C 1.424 177.606 176.300 -0.197 0.000 1.170 478 M CA 0.816 56.016 55.300 -0.167 0.000 1.135 478 M CB 0.802 33.255 32.600 -0.245 0.000 1.574 478 M HN 0.436 nan 8.290 nan 0.000 0.452 479 T N -2.595 111.916 114.554 -0.072 0.000 3.028 479 T HA 0.310 4.660 4.350 0.000 0.000 0.250 479 T C 1.025 175.700 174.700 -0.041 0.000 0.979 479 T CA 0.387 62.451 62.100 -0.060 0.000 1.004 479 T CB 0.156 69.001 68.868 -0.039 0.000 1.120 479 T HN 1.028 nan 8.240 nan 0.000 0.482 480 G N 3.289 112.117 108.800 0.047 0.000 2.473 480 G HA2 -0.084 3.876 3.960 0.000 0.000 0.289 480 G HA3 -0.084 3.876 3.960 0.000 0.000 0.289 480 G C -0.080 174.847 174.900 0.046 0.000 1.084 480 G CA 0.282 45.400 45.100 0.030 0.000 1.215 480 G HN 0.811 nan 8.290 nan 0.000 0.527 481 D N -1.330 119.119 120.400 0.081 0.000 2.520 481 D HA 0.405 5.045 4.640 0.000 0.000 0.223 481 D C 1.659 178.013 176.300 0.090 0.000 1.186 481 D CA 0.657 54.699 54.000 0.070 0.000 0.821 481 D CB -0.138 40.684 40.800 0.037 0.000 1.072 481 D HN 1.622 nan 8.370 nan 0.000 0.518 482 G N 0.524 109.396 108.800 0.121 0.000 2.176 482 G HA2 -0.211 3.749 3.960 0.000 0.000 0.232 482 G HA3 -0.211 3.749 3.960 0.000 0.000 0.232 482 G C 0.203 175.167 174.900 0.106 0.000 0.986 482 G CA 0.126 45.299 45.100 0.122 0.000 0.643 482 G HN 0.860 nan 8.290 nan 0.000 0.522 483 S N 0.966 116.719 115.700 0.088 0.000 2.452 483 S HA 0.538 5.008 4.470 0.000 0.000 0.284 483 S C -0.258 174.388 174.600 0.075 0.000 1.171 483 S CA -0.623 57.620 58.200 0.071 0.000 1.064 483 S CB 1.692 64.918 63.200 0.044 0.000 0.967 483 S HN 0.167 nan 8.310 nan 0.000 0.484 484 D N 5.010 125.472 120.400 0.104 0.000 2.451 484 D HA 0.172 4.812 4.640 0.000 0.000 0.254 484 D C -2.071 174.262 176.300 0.056 0.000 1.204 484 D CA -0.706 53.371 54.000 0.129 0.000 0.896 484 D CB 0.099 41.030 40.800 0.218 0.000 1.136 484 D HN 0.406 nan 8.370 nan 0.000 0.499 485 P HA -0.019 nan 4.420 nan 0.000 0.264 485 P C 0.289 177.690 177.300 0.169 0.000 1.183 485 P CA 0.051 63.121 63.100 -0.049 0.000 0.763 485 P CB 0.458 31.980 31.700 -0.296 0.000 0.807 486 E N 3.216 123.464 120.200 0.081 0.000 2.345 486 E HA 0.480 4.830 4.350 0.000 0.000 0.259 486 E C -0.736 175.837 176.600 -0.046 0.000 1.117 486 E CA -0.654 55.735 56.400 -0.018 0.000 0.913 486 E CB 0.475 30.101 29.700 -0.124 0.000 1.057 486 E HN 0.385 nan 8.360 nan 0.000 0.432 487 F N -1.378 118.393 119.950 -0.299 0.000 2.613 487 F HA 0.565 5.092 4.527 0.000 0.000 0.314 487 F C -0.668 174.922 175.800 -0.350 0.000 1.075 487 F CA -1.544 56.127 58.000 -0.548 0.000 0.945 487 F CB 1.409 39.709 39.000 -1.166 0.000 1.310 487 F HN 0.399 nan 8.300 nan 0.000 0.467 488 K N 0.746 121.056 120.400 -0.150 0.000 2.143 488 K HA 0.528 4.848 4.320 0.000 0.000 0.272 488 K C -1.040 175.544 176.600 -0.027 0.000 1.001 488 K CA -0.423 55.775 56.287 -0.147 0.000 0.915 488 K CB 1.399 33.797 32.500 -0.170 0.000 1.047 488 K HN 0.869 nan 8.250 nan 0.000 0.458 489 T N 5.031 119.553 114.554 -0.054 0.000 2.753 489 T HA 0.302 4.652 4.350 0.000 0.000 0.297 489 T C -0.270 174.318 174.700 -0.186 0.000 0.981 489 T CA -0.591 61.481 62.100 -0.046 0.000 0.956 489 T CB 0.196 69.061 68.868 -0.004 0.000 0.936 489 T HN 0.395 nan 8.240 nan 0.000 0.463 490 L N 6.458 127.516 121.223 -0.276 0.000 2.276 490 L HA 0.359 4.699 4.340 0.000 0.000 0.286 490 L C -1.779 174.690 176.870 -0.668 0.000 1.061 490 L CA -2.207 52.324 54.840 -0.515 0.000 0.807 490 L CB 1.075 42.850 42.059 -0.474 0.000 1.177 490 L HN 0.347 nan 8.230 nan 0.000 0.429 491 P HA 0.105 nan 4.420 nan 0.000 0.219 491 P C 0.942 177.704 177.300 -0.896 0.000 1.832 491 P CA -0.325 62.332 63.100 -0.738 0.000 1.014 491 P CB 0.282 31.630 31.700 -0.586 0.000 1.939 492 I N 1.523 121.692 120.570 -0.668 0.000 2.127 492 I HA -0.245 3.925 4.170 0.000 0.000 0.241 492 I C 2.357 178.370 176.117 -0.172 0.000 1.075 492 I CA 1.687 62.752 61.300 -0.392 0.000 1.334 492 I CB -1.908 35.886 38.000 -0.343 0.000 1.040 492 I HN 0.155 nan 8.210 nan 0.000 0.405 493 A N 0.274 123.001 122.820 -0.155 0.000 1.902 493 A HA -0.253 4.067 4.320 0.000 0.000 0.217 493 A C 2.379 179.935 177.584 -0.047 0.000 1.181 493 A CA 1.871 53.868 52.037 -0.067 0.000 0.623 493 A CB -0.763 18.200 19.000 -0.061 0.000 0.818 493 A HN 0.555 nan 8.150 nan 0.000 0.443 494 E N -1.271 118.871 120.200 -0.096 0.000 2.118 494 E HA -0.234 4.116 4.350 0.000 0.000 0.195 494 E C 1.701 178.356 176.600 0.092 0.000 0.992 494 E CA 1.360 57.737 56.400 -0.039 0.000 0.804 494 E CB -0.219 29.425 29.700 -0.092 0.000 0.741 494 E HN 0.766 nan 8.360 nan 0.000 0.458 495 W N 0.417 121.676 121.300 -0.069 0.000 2.374 495 W HA 0.002 4.662 4.660 0.000 0.000 0.288 495 W C 2.401 178.864 176.519 -0.093 0.000 1.218 495 W CA 1.005 58.302 57.345 -0.081 0.000 1.245 495 W CB -0.992 28.416 29.460 -0.087 0.000 1.126 495 W HN 0.208 nan 8.180 nan 0.000 0.545 496 A N -0.193 122.710 122.820 0.139 0.000 2.067 496 A HA 0.225 4.545 4.320 0.000 0.000 0.219 496 A C 1.846 179.433 177.584 0.005 0.000 1.158 496 A CA 1.669 53.727 52.037 0.036 0.000 0.661 496 A CB -1.000 18.012 19.000 0.022 0.000 0.801 496 A HN 0.638 nan 8.150 nan 0.000 0.452 497 G N -1.034 107.779 108.800 0.021 0.000 2.256 497 G HA2 -0.209 3.751 3.960 0.000 0.000 0.272 497 G HA3 -0.209 3.751 3.960 0.000 0.000 0.272 497 G C -0.131 174.764 174.900 -0.008 0.000 1.076 497 G CA 0.434 45.535 45.100 0.002 0.000 0.882 497 G HN 0.530 nan 8.290 nan 0.000 0.497 498 I N -0.586 119.982 120.570 -0.005 0.000 2.530 498 I HA 0.574 4.744 4.170 0.000 0.000 0.297 498 I C 1.117 177.228 176.117 -0.010 0.000 1.011 498 I CA -0.685 60.610 61.300 -0.007 0.000 1.107 498 I CB 2.176 40.175 38.000 -0.003 0.000 1.285 498 I HN 0.056 nan 8.210 nan 0.000 0.436 499 T N 1.521 116.068 114.554 -0.012 0.000 3.075 499 T HA 0.058 4.408 4.350 0.000 0.000 0.251 499 T C 0.474 175.165 174.700 -0.016 0.000 0.979 499 T CA -0.179 61.913 62.100 -0.014 0.000 1.033 499 T CB 0.141 69.001 68.868 -0.014 0.000 1.104 499 T HN 0.748 nan 8.240 nan 0.000 0.473 500 E N 1.372 121.564 120.200 -0.014 0.000 2.428 500 E HA 0.415 4.765 4.350 0.000 0.000 0.257 500 E C 1.120 177.709 176.600 -0.018 0.000 1.197 500 E CA -0.034 56.357 56.400 -0.015 0.000 0.974 500 E CB 0.016 29.709 29.700 -0.011 0.000 0.976 500 E HN 0.332 nan 8.360 nan 0.000 0.463 501 G N 1.141 109.928 108.800 -0.022 0.000 2.582 501 G HA2 -0.388 3.572 3.960 0.000 0.000 0.288 501 G HA3 -0.388 3.572 3.960 0.000 0.000 0.288 501 G C -0.219 174.655 174.900 -0.044 0.000 1.247 501 G CA 0.612 45.693 45.100 -0.031 0.000 0.972 501 G HN 0.720 nan 8.290 nan 0.000 0.557 502 Q N 0.912 120.674 119.800 -0.064 0.000 3.484 502 Q HA 0.377 4.717 4.340 0.000 0.000 0.255 502 Q C -2.525 173.416 176.000 -0.098 0.000 0.909 502 Q CA -1.448 54.307 55.803 -0.080 0.000 0.774 502 Q CB 1.608 30.288 28.738 -0.096 0.000 1.431 502 Q HN 0.584 nan 8.270 nan 0.000 0.423 503 P HA 0.008 nan 4.420 nan 0.000 0.265 503 P C -0.820 176.460 177.300 -0.033 0.000 1.193 503 P CA 0.250 63.331 63.100 -0.032 0.000 0.765 503 P CB 0.736 32.434 31.700 -0.004 0.000 0.823 504 R N 1.480 121.982 120.500 0.005 0.000 2.628 504 R HA 0.521 4.861 4.340 0.000 0.000 0.288 504 R C -0.854 175.543 176.300 0.161 0.000 0.980 504 R CA -1.143 54.982 56.100 0.042 0.000 0.891 504 R CB 2.203 32.492 30.300 -0.019 0.000 1.188 504 R HN 0.227 nan 8.270 nan 0.000 0.450 505 V N 3.457 123.445 119.914 0.125 0.000 2.465 505 V HA 0.407 4.527 4.120 0.000 0.000 0.279 505 V C -0.331 175.908 176.094 0.241 0.000 1.045 505 V CA -0.435 61.957 62.300 0.153 0.000 0.938 505 V CB 1.590 33.428 31.823 0.024 0.000 0.986 505 V HN 0.478 nan 8.190 nan 0.000 0.467 506 V N 5.458 125.553 119.914 0.302 0.000 2.888 506 V HA 0.556 4.676 4.120 0.000 0.000 0.309 506 V C -0.481 175.777 176.094 0.274 0.000 1.114 506 V CA -0.334 62.170 62.300 0.341 0.000 0.940 506 V CB 1.717 33.761 31.823 0.369 0.000 1.021 506 V HN 1.061 nan 8.190 nan 0.000 0.426 507 Q N 3.179 123.163 119.800 0.308 0.000 2.779 507 Q HA -0.134 4.206 4.340 0.000 0.000 0.160 507 Q C -0.043 175.886 176.000 -0.118 0.000 1.477 507 Q CA 0.789 56.579 55.803 -0.021 0.000 0.547 507 Q CB -0.834 27.512 28.738 -0.655 0.000 0.695 507 Q HN 1.427 nan 8.270 nan 0.000 0.316 508 G N 3.089 111.810 108.800 -0.131 0.000 2.432 508 G HA2 0.369 4.329 3.960 0.000 0.000 0.257 508 G HA3 0.369 4.329 3.960 0.000 0.000 0.257 508 G C -0.579 174.084 174.900 -0.394 0.000 1.238 508 G CA 0.142 44.801 45.100 -0.735 0.000 0.838 508 G HN 0.543 nan 8.290 nan 0.000 0.547 509 E N 0.922 120.875 120.200 -0.411 0.000 2.291 509 E HA 0.508 4.858 4.350 0.000 0.000 0.276 509 E C -1.318 175.238 176.600 -0.073 0.000 0.896 509 E CA -0.707 55.609 56.400 -0.139 0.000 0.774 509 E CB 0.861 30.476 29.700 -0.143 0.000 1.227 509 E HN 0.225 nan 8.360 nan 0.000 0.413 510 F N 2.741 122.669 119.950 -0.038 0.000 2.370 510 F HA 0.369 4.896 4.527 0.000 0.000 0.319 510 F C 1.333 177.107 175.800 -0.044 0.000 1.129 510 F CA -0.419 57.584 58.000 0.005 0.000 1.109 510 F CB 0.586 39.594 39.000 0.014 0.000 1.262 510 F HN 0.533 nan 8.300 nan 0.000 0.534 511 N N 0.933 119.797 118.700 0.273 0.000 2.327 511 N HA 0.060 4.800 4.740 0.000 0.000 0.257 511 N C 0.631 176.173 175.510 0.052 0.000 1.281 511 N CA -0.479 52.662 53.050 0.151 0.000 0.942 511 N CB 0.243 38.916 38.487 0.311 0.000 1.199 511 N HN 0.685 nan 8.380 nan 0.000 0.532 512 K N -0.873 119.528 120.400 0.002 0.000 2.097 512 K HA -0.125 4.195 4.320 0.000 0.000 0.206 512 K C 0.208 176.783 176.600 -0.042 0.000 1.049 512 K CA 1.447 57.724 56.287 -0.017 0.000 0.933 512 K CB -0.062 32.369 32.500 -0.115 0.000 0.717 512 K HN 0.462 nan 8.250 nan 0.000 0.442 513 D N -0.554 119.822 120.400 -0.041 0.000 2.355 513 D HA 0.032 4.672 4.640 0.000 0.000 0.218 513 D C 0.796 177.020 176.300 -0.128 0.000 1.004 513 D CA 1.034 55.005 54.000 -0.049 0.000 0.880 513 D CB 0.481 41.272 40.800 -0.014 0.000 0.911 513 D HN 0.538 nan 8.370 nan 0.000 0.528 514 G N 1.326 109.940 108.800 -0.310 0.000 2.160 514 G HA2 -0.320 3.640 3.960 0.000 0.000 0.251 514 G HA3 -0.320 3.640 3.960 0.000 0.000 0.251 514 G C 1.091 175.943 174.900 -0.079 0.000 1.008 514 G CA 1.135 45.766 45.100 -0.782 0.000 0.724 514 G HN 0.418 nan 8.290 nan 0.000 0.514 515 T N -3.484 111.133 114.554 0.105 0.000 3.001 515 T HA 0.479 4.829 4.350 0.000 0.000 0.251 515 T C 0.498 175.342 174.700 0.241 0.000 1.040 515 T CA 0.803 63.014 62.100 0.185 0.000 0.985 515 T CB 0.883 69.828 68.868 0.129 0.000 1.011 515 T HN 0.476 nan 8.240 nan 0.000 0.509 516 E N 0.378 120.731 120.200 0.255 0.000 2.314 516 E HA 0.621 4.971 4.350 0.000 0.000 0.272 516 E C -1.933 174.703 176.600 0.060 0.000 0.884 516 E CA -0.909 55.614 56.400 0.207 0.000 0.753 516 E CB 3.306 33.187 29.700 0.302 0.000 1.213 516 E HN 0.086 nan 8.360 nan 0.000 0.432 517 V N 3.360 123.172 119.914 -0.171 0.000 2.540 517 V HA 0.514 4.634 4.120 0.000 0.000 0.302 517 V C -1.621 174.341 176.094 -0.221 0.000 1.035 517 V CA -0.492 61.453 62.300 -0.592 0.000 0.873 517 V CB 0.672 31.578 31.823 -1.529 0.000 0.992 517 V HN 0.592 nan 8.190 nan 0.000 0.428 518 W N 5.683 126.644 121.300 -0.564 0.000 2.438 518 W HA 0.737 5.397 4.660 0.000 0.000 0.324 518 W C -0.615 175.493 176.519 -0.685 0.000 1.119 518 W CA -1.059 56.019 57.345 -0.444 0.000 1.221 518 W CB 1.090 30.330 29.460 -0.365 0.000 1.253 518 W HN 0.401 nan 8.180 nan 0.000 0.555 519 F N 0.970 120.965 119.950 0.076 0.000 2.551 519 F HA 0.441 4.968 4.527 0.000 0.000 0.316 519 F C 0.393 176.213 175.800 0.032 0.000 1.089 519 F CA -1.048 56.975 58.000 0.039 0.000 0.915 519 F CB 1.680 40.699 39.000 0.030 0.000 1.186 519 F HN -0.030 nan 8.300 nan 0.000 0.456 520 S N 1.450 117.278 115.700 0.215 0.000 2.525 520 S HA 0.506 4.976 4.470 0.000 0.000 0.278 520 S C -0.506 174.208 174.600 0.190 0.000 1.234 520 S CA -0.691 57.597 58.200 0.147 0.000 1.058 520 S CB 1.401 64.646 63.200 0.075 0.000 0.983 520 S HN 0.332 nan 8.310 nan 0.000 0.495 521 V N 4.483 124.491 119.914 0.156 0.000 2.259 521 V HA 0.183 4.303 4.120 0.000 0.000 0.267 521 V C -0.670 175.560 176.094 0.226 0.000 1.051 521 V CA -0.684 61.710 62.300 0.156 0.000 0.830 521 V CB -0.073 31.803 31.823 0.088 0.000 1.080 521 V HN 0.893 nan 8.190 nan 0.000 0.467 522 W N 6.554 127.882 121.300 0.046 0.000 2.387 522 W HA 0.447 5.107 4.660 -0.000 0.000 0.310 522 W C -0.122 176.420 176.519 0.037 0.000 1.181 522 W CA -0.640 56.735 57.345 0.049 0.000 1.333 522 W CB 0.392 29.891 29.460 0.066 0.000 1.286 522 W HN 0.466 nan 8.180 nan 0.000 0.455 523 N N 2.561 121.399 118.700 0.230 0.000 2.741 523 N HA 0.617 5.357 4.740 0.000 0.000 0.310 523 N C -0.045 175.492 175.510 0.046 0.000 1.295 523 N CA -0.348 52.726 53.050 0.040 0.000 0.893 523 N CB 1.401 39.917 38.487 0.048 0.000 1.247 523 N HN 0.469 nan 8.380 nan 0.000 0.596 524 G N 0.097 108.893 108.800 -0.007 0.000 2.606 524 G HA2 0.068 4.028 3.960 0.000 0.000 0.252 524 G HA3 0.068 4.028 3.960 0.000 0.000 0.252 524 G C 0.893 175.840 174.900 0.078 0.000 1.206 524 G CA -0.189 44.925 45.100 0.023 0.000 0.861 524 G HN 0.688 nan 8.290 nan 0.000 0.561 525 K N -0.482 119.975 120.400 0.094 0.000 2.074 525 K HA -0.149 4.171 4.320 0.000 0.000 0.209 525 K C 0.872 177.508 176.600 0.060 0.000 1.048 525 K CA 1.862 58.205 56.287 0.092 0.000 0.926 525 K CB 0.016 32.567 32.500 0.085 0.000 0.713 525 K HN 0.428 nan 8.250 nan 0.000 0.444 526 D N 0.477 120.900 120.400 0.039 0.000 2.325 526 D HA 0.051 4.691 4.640 0.000 0.000 0.225 526 D C -0.104 176.208 176.300 0.020 0.000 1.096 526 D CA 0.368 54.383 54.000 0.024 0.000 0.844 526 D CB 0.474 41.281 40.800 0.011 0.000 0.925 526 D HN 0.329 nan 8.370 nan 0.000 0.513 527 Q N 0.071 119.887 119.800 0.027 0.000 2.378 527 Q HA 0.323 4.663 4.340 0.000 0.000 0.276 527 Q C -0.268 175.750 176.000 0.030 0.000 1.083 527 Q CA -0.797 55.018 55.803 0.020 0.000 0.856 527 Q CB 2.187 30.932 28.738 0.012 0.000 1.383 527 Q HN -0.031 nan 8.270 nan 0.000 0.458 528 E N 0.479 120.691 120.200 0.021 0.000 2.290 528 E HA 0.226 4.576 4.350 0.000 0.000 0.277 528 E C -0.956 175.665 176.600 0.035 0.000 1.035 528 E CA 0.034 56.448 56.400 0.023 0.000 0.873 528 E CB 0.718 30.422 29.700 0.008 0.000 1.029 528 E HN 0.440 nan 8.360 nan 0.000 0.419 529 S N 1.540 117.269 115.700 0.048 0.000 2.798 529 S HA 0.931 5.401 4.470 0.000 0.000 0.312 529 S C -0.982 173.640 174.600 0.037 0.000 1.122 529 S CA -0.394 57.846 58.200 0.067 0.000 0.949 529 S CB 1.819 65.087 63.200 0.113 0.000 1.235 529 S HN 0.727 nan 8.310 nan 0.000 0.552 530 A N 0.250 123.094 122.820 0.040 0.000 2.564 530 A HA 0.750 5.070 4.320 0.000 0.000 0.291 530 A C -2.209 175.377 177.584 0.003 0.000 1.102 530 A CA -0.711 51.325 52.037 -0.002 0.000 0.660 530 A CB 0.679 19.661 19.000 -0.030 0.000 1.283 530 A HN 0.606 nan 8.150 nan 0.000 0.430 531 L N 0.637 121.824 121.223 -0.061 0.000 2.362 531 L HA 0.657 4.997 4.340 0.000 0.000 0.275 531 L C -0.990 175.767 176.870 -0.189 0.000 0.998 531 L CA -1.048 53.737 54.840 -0.090 0.000 0.820 531 L CB 1.799 43.777 42.059 -0.135 0.000 1.270 531 L HN 0.419 nan 8.230 nan 0.000 0.415 532 V N 3.768 123.622 119.914 -0.100 0.000 2.417 532 V HA 0.377 4.497 4.120 0.000 0.000 0.291 532 V C 0.008 175.996 176.094 -0.177 0.000 1.024 532 V CA -0.641 61.600 62.300 -0.098 0.000 0.861 532 V CB 2.208 34.093 31.823 0.103 0.000 0.985 532 V HN 0.438 nan 8.190 nan 0.000 0.436 533 V N 5.895 125.582 119.914 -0.378 0.000 2.370 533 V HA 0.440 4.560 4.120 0.000 0.000 0.279 533 V C -0.056 175.959 176.094 -0.132 0.000 1.029 533 V CA -0.558 61.482 62.300 -0.434 0.000 0.870 533 V CB 1.572 32.921 31.823 -0.790 0.000 0.984 533 V HN 0.592 nan 8.190 nan 0.000 0.451 534 V N 3.494 123.433 119.914 0.042 0.000 2.435 534 V HA 0.297 4.417 4.120 0.000 0.000 0.290 534 V C -0.054 176.113 176.094 0.122 0.000 1.030 534 V CA -0.638 61.752 62.300 0.150 0.000 0.881 534 V CB 1.827 33.876 31.823 0.376 0.000 0.983 534 V HN 0.973 nan 8.190 nan 0.000 0.445 535 D N 2.687 123.146 120.400 0.099 0.000 2.358 535 D HA 0.050 4.690 4.640 0.000 0.000 0.258 535 D C 0.944 177.373 176.300 0.216 0.000 1.223 535 D CA 0.121 54.198 54.000 0.129 0.000 0.886 535 D CB 1.119 41.967 40.800 0.079 0.000 1.120 535 D HN 0.706 nan 8.370 nan 0.000 0.482 536 D N 2.973 123.540 120.400 0.277 0.000 2.117 536 D HA -0.165 4.475 4.640 0.000 0.000 0.197 536 D C 1.350 177.923 176.300 0.453 0.000 0.987 536 D CA 1.348 55.613 54.000 0.442 0.000 0.829 536 D CB 0.343 41.451 40.800 0.513 0.000 0.961 536 D HN 0.297 nan 8.370 nan 0.000 0.460 537 K N -0.869 119.723 120.400 0.319 0.000 2.097 537 K HA -0.038 4.282 4.320 0.000 0.000 0.205 537 K C 2.076 178.832 176.600 0.259 0.000 1.050 537 K CA 1.705 58.163 56.287 0.285 0.000 0.938 537 K CB -0.121 32.487 32.500 0.180 0.000 0.718 537 K HN 0.309 nan 8.250 nan 0.000 0.442 538 T N -2.068 112.596 114.554 0.182 0.000 3.022 538 T HA 0.220 4.570 4.350 0.000 0.000 0.250 538 T C 0.673 175.428 174.700 0.092 0.000 1.060 538 T CA -0.276 61.897 62.100 0.121 0.000 1.013 538 T CB -0.084 68.827 68.868 0.071 0.000 0.982 538 T HN 0.140 nan 8.240 nan 0.000 0.508 539 L N 0.706 121.999 121.223 0.117 0.000 3.717 539 L HA -0.165 4.175 4.340 0.000 0.000 0.411 539 L C -0.400 176.577 176.870 0.177 0.000 1.233 539 L CA 0.413 55.317 54.840 0.107 0.000 0.917 539 L CB -1.918 40.092 42.059 -0.081 0.000 1.902 539 L HN 0.530 nan 8.230 nan 0.000 0.894 540 E N -0.156 120.098 120.200 0.089 0.000 2.299 540 E HA 0.555 4.905 4.350 0.000 0.000 0.265 540 E C -0.465 175.940 176.600 -0.326 0.000 0.911 540 E CA -1.298 55.044 56.400 -0.096 0.000 0.789 540 E CB 2.458 32.091 29.700 -0.111 0.000 1.246 540 E HN 0.087 nan 8.360 nan 0.000 0.427 541 L N 2.313 122.992 121.223 -0.908 0.000 2.499 541 L HA 0.003 4.343 4.340 0.000 0.000 0.273 541 L C 0.773 177.392 176.870 -0.419 0.000 1.195 541 L CA 0.805 55.118 54.840 -0.879 0.000 0.882 541 L CB 0.494 41.760 42.059 -1.321 0.000 1.133 541 L HN 0.503 nan 8.230 nan 0.000 0.483 542 K N 3.187 123.419 120.400 -0.280 0.000 2.262 542 K HA 0.169 4.489 4.320 0.000 0.000 0.200 542 K C -0.483 175.992 176.600 -0.208 0.000 1.058 542 K CA 0.760 56.933 56.287 -0.190 0.000 0.974 542 K CB 0.082 32.513 32.500 -0.116 0.000 0.910 542 K HN 0.842 nan 8.250 nan 0.000 0.484 543 H N -1.748 117.044 119.070 -0.463 0.000 3.081 543 H HA 0.428 4.984 4.556 0.000 0.000 0.322 543 H C -2.033 172.991 175.328 -0.508 0.000 1.266 543 H CA -0.756 54.968 56.048 -0.540 0.000 1.279 543 H CB 1.335 30.552 29.762 -0.909 0.000 1.954 543 H HN -0.165 nan 8.280 nan 0.000 0.530 544 V N 5.789 125.190 119.914 -0.854 0.000 2.378 544 V HA 0.346 4.466 4.120 0.000 0.000 0.288 544 V C 0.114 175.838 176.094 -0.616 0.000 1.016 544 V CA -0.524 61.440 62.300 -0.559 0.000 0.840 544 V CB 1.107 32.716 31.823 -0.357 0.000 0.994 544 V HN 0.560 nan 8.190 nan 0.000 0.431 545 I N 5.654 126.007 120.570 -0.361 0.000 2.312 545 I HA 0.443 4.613 4.170 0.000 0.000 0.291 545 I C 0.139 176.178 176.117 -0.129 0.000 1.031 545 I CA -0.146 61.038 61.300 -0.193 0.000 1.293 545 I CB 0.715 38.611 38.000 -0.173 0.000 1.403 545 I HN 0.496 nan 8.210 nan 0.000 0.484 546 K N 5.438 125.783 120.400 -0.092 0.000 2.468 546 K HA 0.530 4.850 4.320 0.000 0.000 0.252 546 K C -1.400 175.186 176.600 -0.025 0.000 0.932 546 K CA -0.885 55.369 56.287 -0.055 0.000 0.794 546 K CB 2.805 35.266 32.500 -0.066 0.000 1.241 546 K HN 0.512 nan 8.250 nan 0.000 0.428 547 D N 1.208 121.604 120.400 -0.007 0.000 2.706 547 D HA -0.006 4.634 4.640 0.000 0.000 0.225 547 D C 0.008 176.315 176.300 0.011 0.000 1.241 547 D CA -0.277 53.726 54.000 0.004 0.000 0.784 547 D CB 2.090 42.897 40.800 0.011 0.000 1.521 547 D HN 0.639 nan 8.370 nan 0.000 0.461 548 E N 1.170 121.376 120.200 0.011 0.000 2.118 548 E HA -0.167 4.183 4.350 0.000 0.000 0.195 548 E C 1.400 178.013 176.600 0.022 0.000 0.992 548 E CA 1.123 57.532 56.400 0.015 0.000 0.804 548 E CB 0.291 29.998 29.700 0.012 0.000 0.741 548 E HN 0.302 nan 8.360 nan 0.000 0.458 549 R N -0.169 120.345 120.500 0.023 0.000 2.280 549 R HA -0.011 4.329 4.340 0.000 0.000 0.207 549 R C 0.736 177.058 176.300 0.037 0.000 1.043 549 R CA 0.025 56.142 56.100 0.029 0.000 1.006 549 R CB -0.060 30.256 30.300 0.027 0.000 0.885 549 R HN 0.076 nan 8.270 nan 0.000 0.467 550 L N 1.980 123.225 121.223 0.036 0.000 2.391 550 L HA 0.120 4.460 4.340 0.000 0.000 0.249 550 L C -0.747 176.157 176.870 0.057 0.000 1.308 550 L CA 0.040 54.906 54.840 0.044 0.000 1.209 550 L CB 0.500 42.580 42.059 0.036 0.000 1.401 550 L HN -0.212 nan 8.230 nan 0.000 0.416 551 V N 2.850 122.802 119.914 0.064 0.000 2.461 551 V HA 0.194 4.314 4.120 0.000 0.000 0.275 551 V C 0.880 177.038 176.094 0.107 0.000 1.047 551 V CA 0.015 62.365 62.300 0.084 0.000 0.955 551 V CB 0.821 32.690 31.823 0.076 0.000 0.988 551 V HN 0.855 nan 8.190 nan 0.000 0.471 552 T N 4.375 119.029 114.554 0.166 0.000 3.361 552 T HA -0.121 4.229 4.350 0.000 0.000 0.417 552 T C -1.732 173.001 174.700 0.054 0.000 0.769 552 T CA -0.087 62.163 62.100 0.250 0.000 2.085 552 T CB -1.637 67.424 68.868 0.322 0.000 1.689 552 T HN 0.577 nan 8.240 nan 0.000 0.639 553 P HA 0.270 nan 4.420 nan 0.000 0.276 553 P C 0.935 178.127 177.300 -0.180 0.000 1.235 553 P CA 0.021 63.099 63.100 -0.036 0.000 0.772 553 P CB 1.631 33.349 31.700 0.029 0.000 0.871 554 T N 0.678 115.072 114.554 -0.267 0.000 2.964 554 T HA 0.345 4.695 4.350 0.000 0.000 0.161 554 T C 0.999 175.538 174.700 -0.269 0.000 0.859 554 T CA 0.118 61.978 62.100 -0.401 0.000 1.015 554 T CB -0.815 67.636 68.868 -0.695 0.000 2.138 554 T HN 0.327 nan 8.240 nan 0.000 0.367 555 G N 2.147 110.798 108.800 -0.249 0.000 2.398 555 G HA2 0.495 4.455 3.960 0.000 0.000 0.246 555 G HA3 0.495 4.455 3.960 0.000 0.000 0.246 555 G C -0.950 173.693 174.900 -0.429 0.000 1.289 555 G CA -0.428 44.458 45.100 -0.357 0.000 0.869 555 G HN 0.612 nan 8.290 nan 0.000 0.543 556 K N 1.234 121.166 120.400 -0.780 0.000 2.426 556 K HA 0.425 4.745 4.320 0.000 0.000 0.254 556 K C -1.525 174.538 176.600 -0.896 0.000 0.936 556 K CA -0.437 55.546 56.287 -0.507 0.000 0.801 556 K CB 2.114 34.517 32.500 -0.161 0.000 1.139 556 K HN 0.370 nan 8.250 nan 0.000 0.424 557 F N 1.783 121.713 119.950 -0.033 0.000 2.496 557 F HA 0.242 4.769 4.527 0.000 0.000 0.341 557 F C 0.451 176.088 175.800 -0.273 0.000 1.134 557 F CA -1.006 56.921 58.000 -0.121 0.000 0.968 557 F CB 1.289 40.245 39.000 -0.072 0.000 1.205 557 F HN 0.451 nan 8.300 nan 0.000 0.436 558 N N 2.565 121.022 118.700 -0.405 0.000 2.497 558 N HA 0.060 4.800 4.740 0.000 0.000 0.268 558 N C 1.004 176.380 175.510 -0.223 0.000 1.171 558 N CA -0.006 52.609 53.050 -0.726 0.000 0.948 558 N CB 1.448 39.376 38.487 -0.931 0.000 1.069 558 N HN 0.468 nan 8.380 nan 0.000 0.460 559 V N 4.661 124.493 119.914 -0.137 0.000 2.252 559 V HA -0.288 3.832 4.120 0.000 0.000 0.249 559 V C 1.810 177.936 176.094 0.053 0.000 1.056 559 V CA 1.802 64.107 62.300 0.009 0.000 1.022 559 V CB -1.097 30.760 31.823 0.057 0.000 0.641 559 V HN 0.752 nan 8.190 nan 0.000 0.445 560 Y N 1.561 121.839 120.300 -0.037 0.000 2.145 560 Y HA -0.215 4.335 4.550 0.000 0.000 0.286 560 Y C 2.527 178.450 175.900 0.038 0.000 1.145 560 Y CA 2.069 60.177 58.100 0.013 0.000 1.148 560 Y CB -0.238 38.232 38.460 0.017 0.000 0.981 560 Y HN 0.303 nan 8.280 nan 0.000 0.507 561 N N -0.960 117.839 118.700 0.166 0.000 2.381 561 N HA -0.108 4.632 4.740 0.000 0.000 0.182 561 N C 1.586 177.166 175.510 0.117 0.000 1.025 561 N CA 1.616 54.755 53.050 0.150 0.000 0.888 561 N CB -0.398 38.207 38.487 0.197 0.000 0.965 561 N HN 0.389 nan 8.380 nan 0.000 0.438 562 T N 1.710 116.315 114.554 0.085 0.000 2.852 562 T HA -0.002 4.348 4.350 0.000 0.000 0.256 562 T C 2.055 176.785 174.700 0.050 0.000 1.038 562 T CA 0.851 63.014 62.100 0.105 0.000 1.141 562 T CB -0.093 68.830 68.868 0.092 0.000 0.869 562 T HN 0.346 nan 8.240 nan 0.000 0.439 563 M N 2.106 121.701 119.600 -0.009 0.000 2.213 563 M HA -0.052 4.428 4.480 0.000 0.000 0.263 563 M C 2.049 178.314 176.300 -0.058 0.000 1.062 563 M CA 2.030 57.309 55.300 -0.035 0.000 1.105 563 M CB -1.179 31.387 32.600 -0.057 0.000 1.385 563 M HN 0.248 nan 8.290 nan 0.000 0.417 564 T N -3.925 110.547 114.554 -0.137 0.000 3.086 564 T HA 0.148 4.498 4.350 0.000 0.000 0.250 564 T C -0.002 174.702 174.700 0.007 0.000 1.074 564 T CA 0.074 62.113 62.100 -0.102 0.000 0.988 564 T CB -0.284 68.388 68.868 -0.327 0.000 0.988 564 T HN 0.483 nan 8.240 nan 0.000 0.530 565 D N 1.225 121.658 120.400 0.054 0.000 2.723 565 D HA -0.110 4.530 4.640 0.000 0.000 0.236 565 D C -0.712 175.496 176.300 -0.154 0.000 1.138 565 D CA 0.940 54.964 54.000 0.041 0.000 0.676 565 D CB -1.981 38.715 40.800 -0.173 0.000 1.069 565 D HN 0.449 nan 8.370 nan 0.000 0.430 566 T N 1.199 115.741 114.554 -0.021 0.000 2.794 566 T HA 0.484 4.834 4.350 0.000 0.000 0.304 566 T C 0.021 174.739 174.700 0.030 0.000 0.973 566 T CA -0.373 61.672 62.100 -0.092 0.000 0.972 566 T CB 0.241 69.086 68.868 -0.039 0.000 0.952 566 T HN 0.266 nan 8.240 nan 0.000 0.509 567 Y N 0.000 120.355 120.300 0.092 0.000 2.660 567 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 567 Y CA 0.000 58.176 58.100 0.126 0.000 1.940 567 Y CB 0.000 38.577 38.460 0.196 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758