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 3pyz_1_A DATA FIRST_RESID 5 DATA SEQUENCE QTPQATSPLA AWLCYLEHLH SQPIELGLER VKQVAERLDL LKPAPKIFTV DATA SEQUENCE AGTNGKGTTC CTLEAILLAA GLRVGVYSSP HLLRYTERVR IQGQELSEAE DATA SEQUENCE HSHSFAQIEA GRGDISLTYF EFGTLSALQL FKQAKLDVVI LEVGLGGRLD DATA SEQUENCE ATNIVDSDVA AITSIALDHT DWLGYDRESI GREKAGVFRG GKPAVVGEPD DATA SEQUENCE MPQSIADVAA ELGAQLYRRD VAWKFSQQXX XXXXXXXXXX XNGWHWQCGE DATA SEQUENCE RQLTGLPVPN VPLANAATAL AVLHYSELPL SDEAIRQGLQ AASLPGRFQV DATA SEQUENCE VSEQPLLILD VAHNPHAARY LVNRLAQVIX XXXXXXQGKV RAVVGMLSDK DATA SEQUENCE DIAGTLACLS ERVDEWYCAP LEGPRGASAG QLAEHLVSAR QFSDVETAWR DATA SEQUENCE QAMQDADTQD VVIVCGSFHT VAHVMAALHL 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 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 175.861 176.000 -0.231 0.000 1.003 5 Q CA 0.000 55.730 55.803 -0.121 0.000 1.022 5 Q CB 0.000 28.661 28.738 -0.128 0.000 1.108 6 T N 4.426 118.801 114.554 -0.299 0.000 2.761 6 T HA 0.399 4.750 4.350 0.001 0.000 0.296 6 T C -2.322 171.970 174.700 -0.679 0.000 0.934 6 T CA -0.718 61.034 62.100 -0.580 0.000 1.091 6 T CB 0.632 69.263 68.868 -0.395 0.000 0.896 6 T HN 0.347 nan 8.240 nan 0.000 0.515 7 P HA 0.237 nan 4.420 nan 0.000 0.271 7 P C -0.224 176.588 177.300 -0.814 0.000 1.244 7 P CA -0.415 62.016 63.100 -1.115 0.000 0.793 7 P CB 0.649 31.162 31.700 -1.979 0.000 0.984 8 Q N -0.869 118.688 119.800 -0.405 0.000 2.552 8 Q HA 0.586 4.927 4.340 0.001 0.000 0.289 8 Q C 1.208 177.352 176.000 0.240 0.000 1.097 8 Q CA -0.832 54.962 55.803 -0.016 0.000 0.812 8 Q CB 1.464 30.163 28.738 -0.065 0.000 1.460 8 Q HN 0.351 nan 8.270 nan 0.000 0.452 9 A N -0.114 122.774 122.820 0.113 0.000 1.986 9 A HA -0.212 4.109 4.320 0.001 0.000 0.220 9 A C 1.789 179.253 177.584 -0.200 0.000 1.171 9 A CA 2.533 54.472 52.037 -0.163 0.000 0.640 9 A CB -0.982 17.729 19.000 -0.482 0.000 0.811 9 A HN 0.829 nan 8.150 nan 0.000 0.451 10 T N -2.942 111.584 114.554 -0.047 0.000 3.081 10 T HA 0.187 4.538 4.350 0.001 0.000 0.255 10 T C 0.838 175.587 174.700 0.082 0.000 1.113 10 T CA 0.545 62.669 62.100 0.041 0.000 1.082 10 T CB -0.309 68.579 68.868 0.033 0.000 0.939 10 T HN 0.208 nan 8.240 nan 0.000 0.506 11 S N 3.896 119.644 115.700 0.080 0.000 2.572 11 S HA 0.339 4.809 4.470 0.001 0.000 0.279 11 S C -2.357 172.331 174.600 0.146 0.000 1.341 11 S CA -1.004 57.214 58.200 0.029 0.000 1.043 11 S CB 0.426 63.521 63.200 -0.175 0.000 0.887 11 S HN 0.346 nan 8.310 nan 0.000 0.516 12 P HA 0.023 nan 4.420 nan 0.000 0.267 12 P C 0.961 178.396 177.300 0.225 0.000 1.200 12 P CA -0.417 62.765 63.100 0.137 0.000 0.772 12 P CB 0.369 32.115 31.700 0.076 0.000 0.855 13 L N 3.576 124.944 121.223 0.240 0.000 2.081 13 L HA -0.226 4.115 4.340 0.001 0.000 0.212 13 L C 2.283 179.267 176.870 0.190 0.000 1.080 13 L CA 2.472 57.474 54.840 0.270 0.000 0.754 13 L CB -1.628 40.535 42.059 0.174 0.000 0.893 13 L HN 0.475 nan 8.230 nan 0.000 0.433 14 A N -0.694 122.198 122.820 0.121 0.000 1.986 14 A HA -0.163 4.157 4.320 0.001 0.000 0.220 14 A C 2.426 180.046 177.584 0.060 0.000 1.171 14 A CA 1.952 54.040 52.037 0.086 0.000 0.640 14 A CB -1.063 17.980 19.000 0.071 0.000 0.811 14 A HN 0.602 nan 8.150 nan 0.000 0.451 15 A N -1.766 121.069 122.820 0.024 0.000 1.930 15 A HA -0.020 4.301 4.320 0.001 0.000 0.215 15 A C 1.924 179.422 177.584 -0.143 0.000 1.176 15 A CA 1.047 53.033 52.037 -0.085 0.000 0.632 15 A CB -0.751 18.142 19.000 -0.178 0.000 0.819 15 A HN 0.719 nan 8.150 nan 0.000 0.445 16 W N 0.393 121.629 121.300 -0.108 0.000 2.354 16 W HA -0.135 4.526 4.660 0.002 0.000 0.315 16 W C 2.111 178.457 176.519 -0.287 0.000 1.206 16 W CA 1.280 58.486 57.345 -0.232 0.000 1.290 16 W CB -0.436 28.836 29.460 -0.314 0.000 1.152 16 W HN 0.203 nan 8.180 nan 0.000 0.489 17 L N -0.890 120.333 121.223 -0.000 0.000 2.012 17 L HA -0.296 4.045 4.340 0.001 0.000 0.210 17 L C 2.557 179.471 176.870 0.073 0.000 1.073 17 L CA 1.344 56.158 54.840 -0.044 0.000 0.748 17 L CB -1.471 40.603 42.059 0.025 0.000 0.891 17 L HN 0.175 nan 8.230 nan 0.000 0.431 18 C N -0.485 118.875 119.300 0.101 0.000 2.398 18 C HA -0.286 4.175 4.460 0.001 0.000 0.276 18 C C 2.913 178.032 174.990 0.215 0.000 1.222 18 C CA 1.154 60.273 59.018 0.170 0.000 1.746 18 C CB -0.769 27.040 27.740 0.114 0.000 2.039 18 C HN 0.613 nan 8.230 nan 0.000 0.470 19 Y N 1.067 121.335 120.300 -0.053 0.000 2.181 19 Y HA -0.077 4.474 4.550 0.001 0.000 0.288 19 Y C 2.072 177.920 175.900 -0.087 0.000 1.146 19 Y CA 1.904 59.943 58.100 -0.103 0.000 1.164 19 Y CB -0.446 37.847 38.460 -0.279 0.000 0.982 19 Y HN 0.320 nan 8.280 nan 0.000 0.515 20 L N -0.193 120.877 121.223 -0.255 0.000 2.156 20 L HA -0.131 4.210 4.340 0.001 0.000 0.208 20 L C 2.218 179.083 176.870 -0.008 0.000 1.095 20 L CA 1.376 55.989 54.840 -0.379 0.000 0.770 20 L CB -0.481 41.231 42.059 -0.577 0.000 0.914 20 L HN 0.206 nan 8.230 nan 0.000 0.439 21 E N -0.765 119.501 120.200 0.111 0.000 2.153 21 E HA -0.173 4.178 4.350 0.001 0.000 0.194 21 E C 1.586 178.060 176.600 -0.210 0.000 0.988 21 E CA 0.761 57.168 56.400 0.012 0.000 0.811 21 E CB 0.069 29.735 29.700 -0.057 0.000 0.746 21 E HN 0.508 nan 8.360 nan 0.000 0.466 22 H N -0.261 118.782 119.070 -0.045 0.000 2.526 22 H HA 0.133 4.689 4.556 0.001 0.000 0.274 22 H C 0.215 175.497 175.328 -0.077 0.000 0.999 22 H CA -0.017 56.002 56.048 -0.048 0.000 1.157 22 H CB 0.037 29.777 29.762 -0.036 0.000 1.407 22 H HN 0.096 nan 8.280 nan 0.000 0.568 23 L N 1.342 122.519 121.223 -0.076 0.000 2.485 23 L HA -0.086 4.254 4.340 0.001 0.000 0.275 23 L C 0.958 177.862 176.870 0.057 0.000 1.207 23 L CA 0.243 55.040 54.840 -0.071 0.000 0.855 23 L CB 0.272 42.265 42.059 -0.110 0.000 1.114 23 L HN 0.197 nan 8.230 nan 0.000 0.485 24 H N 1.412 120.471 119.070 -0.018 0.000 2.726 24 H HA 0.147 4.704 4.556 0.001 0.000 0.244 24 H C 0.750 176.085 175.328 0.012 0.000 1.669 24 H CA -0.447 55.602 56.048 0.003 0.000 1.293 24 H CB 0.298 30.067 29.762 0.012 0.000 1.640 24 H HN 0.577 nan 8.280 nan 0.000 0.553 25 S N 1.520 117.127 115.700 -0.154 0.000 2.556 25 S HA -0.045 4.426 4.470 0.001 0.000 0.216 25 S C 1.621 176.104 174.600 -0.195 0.000 0.970 25 S CA -0.194 57.923 58.200 -0.139 0.000 0.912 25 S CB 0.194 63.382 63.200 -0.020 0.000 0.790 25 S HN 0.608 nan 8.310 nan 0.000 0.504 26 Q N 2.115 121.738 119.800 -0.295 0.000 2.096 26 Q HA -0.086 4.255 4.340 0.001 0.000 0.208 26 Q C -0.452 175.442 176.000 -0.177 0.000 0.993 26 Q CA 2.075 57.757 55.803 -0.203 0.000 0.862 26 Q CB -1.126 27.520 28.738 -0.153 0.000 0.915 26 Q HN 0.604 nan 8.270 nan 0.000 0.416 27 P HA 0.051 nan 4.420 nan 0.000 0.245 27 P C 0.391 177.646 177.300 -0.076 0.000 1.203 27 P CA 0.260 63.288 63.100 -0.120 0.000 0.792 27 P CB -0.298 31.348 31.700 -0.090 0.000 0.997 28 I N -1.562 118.959 120.570 -0.082 0.000 2.938 28 I HA 0.260 4.431 4.170 0.001 0.000 0.285 28 I C 0.297 176.402 176.117 -0.020 0.000 1.182 28 I CA -0.742 60.537 61.300 -0.035 0.000 1.388 28 I CB 0.342 38.331 38.000 -0.018 0.000 1.390 28 I HN -0.271 nan 8.210 nan 0.000 0.600 29 E N 3.758 123.954 120.200 -0.006 0.000 2.366 29 E HA 0.163 4.514 4.350 0.001 0.000 0.266 29 E C -0.703 175.896 176.600 -0.001 0.000 1.015 29 E CA -0.510 55.888 56.400 -0.004 0.000 0.906 29 E CB 0.736 30.437 29.700 0.002 0.000 0.979 29 E HN 0.557 nan 8.360 nan 0.000 0.443 30 L N 4.850 126.068 121.223 -0.007 0.000 2.490 30 L HA 0.430 4.771 4.340 0.001 0.000 0.274 30 L C 0.504 177.374 176.870 0.000 0.000 1.201 30 L CA 1.939 56.775 54.840 -0.006 0.000 0.869 30 L CB 0.161 42.210 42.059 -0.018 0.000 1.123 30 L HN 0.714 nan 8.230 nan 0.000 0.484 31 G N 3.584 112.389 108.800 0.008 0.000 2.392 31 G HA2 -0.103 3.858 3.960 0.001 0.000 0.677 31 G HA3 -0.103 3.858 3.960 0.001 0.000 0.677 31 G C 0.009 174.924 174.900 0.024 0.000 1.334 31 G CA -0.402 44.705 45.100 0.012 0.000 0.961 31 G HN 0.651 nan 8.290 nan 0.000 0.616 32 L N 0.297 121.536 121.223 0.026 0.000 2.552 32 L HA 0.065 4.406 4.340 0.001 0.000 0.227 32 L C 2.549 179.434 176.870 0.024 0.000 1.146 32 L CA 1.100 55.960 54.840 0.032 0.000 0.858 32 L CB -0.312 41.767 42.059 0.034 0.000 0.969 32 L HN 0.706 nan 8.230 nan 0.000 0.451 33 E N 0.448 120.659 120.200 0.017 0.000 2.085 33 E HA -0.207 4.144 4.350 0.001 0.000 0.194 33 E C 2.211 178.818 176.600 0.010 0.000 0.994 33 E CA 1.252 57.660 56.400 0.012 0.000 0.801 33 E CB -0.089 29.617 29.700 0.010 0.000 0.743 33 E HN 0.351 nan 8.360 nan 0.000 0.453 34 R N 0.067 120.576 120.500 0.014 0.000 2.070 34 R HA -0.067 4.274 4.340 0.001 0.000 0.233 34 R C 2.507 178.809 176.300 0.003 0.000 1.137 34 R CA 1.322 57.429 56.100 0.011 0.000 0.945 34 R CB -0.802 29.510 30.300 0.020 0.000 0.845 34 R HN 0.130 nan 8.270 nan 0.000 0.430 35 V N 1.428 121.348 119.914 0.010 0.000 2.427 35 V HA -0.237 3.884 4.120 0.001 0.000 0.248 35 V C 2.154 178.241 176.094 -0.013 0.000 1.051 35 V CA 1.865 64.162 62.300 -0.004 0.000 1.048 35 V CB -0.199 31.636 31.823 0.019 0.000 0.666 35 V HN 0.174 nan 8.190 nan 0.000 0.456 36 K N 0.222 120.622 120.400 0.000 0.000 2.057 36 K HA -0.223 4.098 4.320 0.001 0.000 0.207 36 K C 2.256 178.849 176.600 -0.011 0.000 1.049 36 K CA 2.239 58.525 56.287 -0.002 0.000 0.931 36 K CB -0.538 31.967 32.500 0.008 0.000 0.714 36 K HN 0.620 nan 8.250 nan 0.000 0.440 37 Q N -0.288 119.506 119.800 -0.009 0.000 2.124 37 Q HA -0.113 4.228 4.340 0.001 0.000 0.202 37 Q C 1.802 177.788 176.000 -0.024 0.000 0.977 37 Q CA 1.606 57.401 55.803 -0.012 0.000 0.850 37 Q CB 0.121 28.855 28.738 -0.007 0.000 0.901 37 Q HN 0.199 nan 8.270 nan 0.000 0.429 38 V N 0.764 120.657 119.914 -0.035 0.000 2.343 38 V HA -0.258 3.863 4.120 0.001 0.000 0.247 38 V C 2.344 178.400 176.094 -0.063 0.000 1.051 38 V CA 1.749 64.014 62.300 -0.058 0.000 1.036 38 V CB -1.085 30.683 31.823 -0.091 0.000 0.654 38 V HN 0.483 nan 8.190 nan 0.000 0.451 39 A N -0.494 122.291 122.820 -0.058 0.000 1.933 39 A HA -0.262 4.059 4.320 0.001 0.000 0.218 39 A C 2.196 179.754 177.584 -0.043 0.000 1.175 39 A CA 2.008 54.011 52.037 -0.057 0.000 0.628 39 A CB -0.463 18.510 19.000 -0.045 0.000 0.814 39 A HN 0.621 nan 8.150 nan 0.000 0.444 40 E N -0.651 119.530 120.200 -0.031 0.000 2.072 40 E HA -0.143 4.207 4.350 0.001 0.000 0.191 40 E C 2.291 178.876 176.600 -0.025 0.000 0.985 40 E CA 0.878 57.264 56.400 -0.023 0.000 0.801 40 E CB -0.118 29.573 29.700 -0.015 0.000 0.750 40 E HN 0.524 nan 8.360 nan 0.000 0.452 41 R N 0.041 120.524 120.500 -0.028 0.000 2.159 41 R HA -0.093 4.248 4.340 0.001 0.000 0.237 41 R C 1.772 178.052 176.300 -0.033 0.000 1.131 41 R CA 0.845 56.928 56.100 -0.027 0.000 0.982 41 R CB -0.033 30.251 30.300 -0.027 0.000 0.868 41 R HN 0.203 nan 8.270 nan 0.000 0.453 42 L N -0.288 120.909 121.223 -0.043 0.000 2.693 42 L HA 0.113 4.454 4.340 0.001 0.000 0.235 42 L C -0.159 176.683 176.870 -0.046 0.000 1.127 42 L CA -0.199 54.612 54.840 -0.049 0.000 0.914 42 L CB 0.282 42.299 42.059 -0.070 0.000 1.193 42 L HN 0.116 nan 8.230 nan 0.000 0.502 43 D N 0.729 121.106 120.400 -0.038 0.000 2.716 43 D HA -0.207 4.434 4.640 0.001 0.000 0.239 43 D C 0.328 176.606 176.300 -0.035 0.000 1.125 43 D CA 0.605 54.586 54.000 -0.032 0.000 0.681 43 D CB -1.063 39.721 40.800 -0.027 0.000 1.070 43 D HN 0.269 nan 8.370 nan 0.000 0.432 44 L N -0.027 121.172 121.223 -0.040 0.000 2.693 44 L HA 0.232 4.573 4.340 0.001 0.000 0.235 44 L C 2.121 178.974 176.870 -0.029 0.000 1.127 44 L CA -0.334 54.479 54.840 -0.045 0.000 0.914 44 L CB 0.049 42.065 42.059 -0.070 0.000 1.193 44 L HN 0.201 nan 8.230 nan 0.000 0.502 45 L N -0.077 121.133 121.223 -0.021 0.000 2.362 45 L HA -0.082 4.259 4.340 0.001 0.000 0.219 45 L C 0.631 177.498 176.870 -0.006 0.000 1.134 45 L CA 1.235 56.070 54.840 -0.009 0.000 0.807 45 L CB -0.189 41.867 42.059 -0.005 0.000 0.927 45 L HN 0.194 nan 8.230 nan 0.000 0.447 46 K N -0.028 120.365 120.400 -0.011 0.000 2.842 46 K HA 0.210 4.531 4.320 0.001 0.000 0.176 46 K C -1.749 174.840 176.600 -0.020 0.000 1.080 46 K CA -1.045 55.232 56.287 -0.017 0.000 0.954 46 K CB 1.160 33.648 32.500 -0.018 0.000 1.203 46 K HN -0.151 nan 8.250 nan 0.000 0.611 47 P HA -0.112 nan 4.420 nan 0.000 0.222 47 P C -0.084 177.197 177.300 -0.032 0.000 1.147 47 P CA 0.756 63.860 63.100 0.007 0.000 0.790 47 P CB 0.424 32.165 31.700 0.068 0.000 0.780 48 A N -0.876 121.899 122.820 -0.074 0.000 2.609 48 A HA 0.555 4.875 4.320 0.001 0.000 0.291 48 A C -2.408 175.117 177.584 -0.099 0.000 1.096 48 A CA -1.089 50.888 52.037 -0.100 0.000 0.684 48 A CB 0.646 19.548 19.000 -0.162 0.000 1.282 48 A HN -0.271 nan 8.150 nan 0.000 0.412 49 P HA 0.040 nan 4.420 nan 0.000 0.226 49 P C -0.004 177.231 177.300 -0.108 0.000 1.153 49 P CA 1.240 64.292 63.100 -0.081 0.000 0.777 49 P CB 0.202 31.862 31.700 -0.067 0.000 0.794 50 K N 0.327 120.623 120.400 -0.174 0.000 2.463 50 K HA 0.504 4.825 4.320 0.001 0.000 0.255 50 K C -1.362 175.002 176.600 -0.395 0.000 0.942 50 K CA -0.500 55.630 56.287 -0.263 0.000 0.814 50 K CB 0.608 32.929 32.500 -0.298 0.000 1.122 50 K HN -0.175 nan 8.250 nan 0.000 0.425 51 I N 4.873 125.247 120.570 -0.327 0.000 2.466 51 I HA 0.460 4.631 4.170 0.001 0.000 0.289 51 I C -1.071 174.993 176.117 -0.087 0.000 1.026 51 I CA -0.842 60.303 61.300 -0.258 0.000 1.078 51 I CB 1.197 39.147 38.000 -0.083 0.000 1.249 51 I HN 0.409 nan 8.210 nan 0.000 0.429 52 F N 2.975 122.925 119.950 -0.000 0.000 2.495 52 F HA 0.574 5.102 4.527 0.000 0.000 0.327 52 F C 0.283 176.115 175.800 0.052 0.000 1.103 52 F CA -1.154 56.864 58.000 0.028 0.000 0.949 52 F CB 2.159 41.168 39.000 0.015 0.000 1.142 52 F HN 0.208 nan 8.300 nan 0.000 0.457 53 T N 3.027 117.747 114.554 0.276 0.000 2.812 53 T HA 0.621 4.972 4.350 0.001 0.000 0.282 53 T C -0.909 173.903 174.700 0.187 0.000 0.990 53 T CA -0.552 61.673 62.100 0.208 0.000 0.960 53 T CB 1.612 70.593 68.868 0.188 0.000 0.948 53 T HN 0.258 nan 8.240 nan 0.000 0.438 54 V N 2.834 122.845 119.914 0.162 0.000 2.407 54 V HA 0.808 4.929 4.120 0.001 0.000 0.291 54 V C 0.113 176.277 176.094 0.115 0.000 1.018 54 V CA -0.742 61.638 62.300 0.133 0.000 0.842 54 V CB 1.234 33.123 31.823 0.111 0.000 0.996 54 V HN 1.080 nan 8.190 nan 0.000 0.426 55 A N 3.484 126.369 122.820 0.107 0.000 2.313 55 A HA 1.088 5.409 4.320 0.001 0.000 0.323 55 A C 0.231 177.855 177.584 0.067 0.000 1.133 55 A CA -0.177 51.903 52.037 0.072 0.000 0.847 55 A CB 1.879 20.903 19.000 0.040 0.000 1.308 55 A HN 1.851 nan 8.150 nan 0.000 0.475 56 G N -1.657 107.169 108.800 0.043 0.000 2.345 56 G HA2 0.385 4.346 3.960 0.001 0.000 0.310 56 G HA3 0.385 4.346 3.960 0.001 0.000 0.310 56 G C 0.082 174.998 174.900 0.027 0.000 1.476 56 G CA 0.253 45.376 45.100 0.038 0.000 0.978 56 G HN 0.818 nan 8.290 nan 0.000 0.656 57 T N 0.494 115.053 114.554 0.008 0.000 2.770 57 T HA 0.113 4.464 4.350 0.001 0.000 0.258 57 T C 0.886 175.606 174.700 0.034 0.000 1.039 57 T CA 1.239 63.348 62.100 0.015 0.000 1.143 57 T CB -0.177 68.667 68.868 -0.039 0.000 0.866 57 T HN 0.437 nan 8.240 nan 0.000 0.428 58 N N -0.525 118.188 118.700 0.022 0.000 2.240 58 N HA 0.503 5.243 4.740 0.001 0.000 0.302 58 N C 0.600 176.125 175.510 0.024 0.000 1.106 58 N CA 0.329 53.401 53.050 0.035 0.000 0.778 58 N CB 1.933 40.476 38.487 0.093 0.000 1.431 58 N HN 0.412 nan 8.380 nan 0.000 0.479 59 G N 0.568 109.367 108.800 -0.002 0.000 2.179 59 G HA2 -0.278 3.683 3.960 0.001 0.000 0.220 59 G HA3 -0.278 3.683 3.960 0.001 0.000 0.220 59 G C 0.940 175.845 174.900 0.008 0.000 0.990 59 G CA 0.242 45.330 45.100 -0.021 0.000 0.646 59 G HN 0.539 nan 8.290 nan 0.000 0.517 60 K N 0.276 120.695 120.400 0.031 0.000 2.026 60 K HA 0.020 4.341 4.320 0.001 0.000 0.208 60 K C 2.768 179.393 176.600 0.041 0.000 1.048 60 K CA 1.456 57.769 56.287 0.044 0.000 0.929 60 K CB -0.404 32.126 32.500 0.050 0.000 0.713 60 K HN 0.366 nan 8.250 nan 0.000 0.439 61 G N 1.079 109.906 108.800 0.045 0.000 2.418 61 G HA2 -0.267 3.694 3.960 0.001 0.000 0.217 61 G HA3 -0.267 3.694 3.960 0.001 0.000 0.217 61 G C 1.664 176.583 174.900 0.031 0.000 1.158 61 G CA 1.556 46.687 45.100 0.051 0.000 0.771 61 G HN 0.442 nan 8.290 nan 0.000 0.545 62 T N -1.752 112.806 114.554 0.008 0.000 2.951 62 T HA -0.037 4.313 4.350 0.001 0.000 0.268 62 T C 2.301 176.988 174.700 -0.022 0.000 1.073 62 T CA 1.803 63.894 62.100 -0.015 0.000 1.134 62 T CB -0.492 68.349 68.868 -0.045 0.000 0.884 62 T HN 0.143 nan 8.240 nan 0.000 0.479 63 T N 1.614 116.159 114.554 -0.016 0.000 2.674 63 T HA -0.115 4.236 4.350 0.001 0.000 0.265 63 T C 2.284 176.985 174.700 0.001 0.000 1.039 63 T CA 1.503 63.593 62.100 -0.016 0.000 1.150 63 T CB -0.940 67.929 68.868 0.002 0.000 0.864 63 T HN 0.519 nan 8.240 nan 0.000 0.427 64 C N 1.596 120.914 119.300 0.028 0.000 2.413 64 C HA -0.099 4.362 4.460 0.001 0.000 0.277 64 C C 3.232 178.246 174.990 0.039 0.000 1.265 64 C CA 0.486 59.534 59.018 0.050 0.000 1.752 64 C CB -1.578 26.204 27.740 0.070 0.000 1.998 64 C HN 0.882 nan 8.230 nan 0.000 0.489 65 C N 0.146 119.461 119.300 0.026 0.000 2.448 65 C HA -0.025 4.436 4.460 0.001 0.000 0.280 65 C C 2.586 177.580 174.990 0.007 0.000 1.398 65 C CA 1.352 60.383 59.018 0.021 0.000 1.774 65 C CB -1.714 26.038 27.740 0.019 0.000 1.888 65 C HN 0.586 nan 8.230 nan 0.000 0.519 66 T N 2.146 116.695 114.554 -0.008 0.000 2.770 66 T HA 0.003 4.354 4.350 0.001 0.000 0.263 66 T C 1.801 176.490 174.700 -0.019 0.000 1.039 66 T CA 1.737 63.824 62.100 -0.020 0.000 1.142 66 T CB -0.345 68.496 68.868 -0.043 0.000 0.868 66 T HN 0.568 nan 8.240 nan 0.000 0.435 67 L N 0.998 122.214 121.223 -0.012 0.000 2.013 67 L HA -0.188 4.152 4.340 0.001 0.000 0.212 67 L C 2.797 179.686 176.870 0.032 0.000 1.073 67 L CA 1.747 56.595 54.840 0.013 0.000 0.753 67 L CB -0.599 41.498 42.059 0.064 0.000 0.890 67 L HN 0.379 nan 8.230 nan 0.000 0.432 68 E N 0.405 120.624 120.200 0.032 0.000 2.038 68 E HA -0.295 4.056 4.350 0.001 0.000 0.195 68 E C 2.216 178.822 176.600 0.010 0.000 1.000 68 E CA 1.470 57.883 56.400 0.023 0.000 0.803 68 E CB -0.088 29.627 29.700 0.026 0.000 0.750 68 E HN 0.450 nan 8.360 nan 0.000 0.448 69 A N 0.983 123.807 122.820 0.007 0.000 1.908 69 A HA -0.178 4.143 4.320 0.001 0.000 0.218 69 A C 2.219 179.800 177.584 -0.006 0.000 1.181 69 A CA 1.603 53.641 52.037 0.002 0.000 0.627 69 A CB -0.650 18.351 19.000 0.001 0.000 0.818 69 A HN 0.390 nan 8.150 nan 0.000 0.445 70 I N -0.578 119.985 120.570 -0.012 0.000 2.252 70 I HA -0.219 3.952 4.170 0.001 0.000 0.245 70 I C 2.283 178.390 176.117 -0.016 0.000 1.102 70 I CA 1.007 62.293 61.300 -0.023 0.000 1.385 70 I CB -0.297 37.676 38.000 -0.045 0.000 1.064 70 I HN 0.274 nan 8.210 nan 0.000 0.414 71 L N 0.126 121.347 121.223 -0.003 0.000 2.141 71 L HA -0.188 4.153 4.340 0.001 0.000 0.209 71 L C 2.445 179.308 176.870 -0.012 0.000 1.094 71 L CA 1.102 55.941 54.840 -0.002 0.000 0.763 71 L CB -0.451 41.614 42.059 0.011 0.000 0.908 71 L HN 0.260 nan 8.230 nan 0.000 0.437 72 L N -0.425 120.793 121.223 -0.009 0.000 2.109 72 L HA -0.124 4.217 4.340 0.001 0.000 0.207 72 L C 2.811 179.675 176.870 -0.011 0.000 1.086 72 L CA 0.989 55.824 54.840 -0.010 0.000 0.760 72 L CB -0.686 41.371 42.059 -0.004 0.000 0.910 72 L HN 0.222 nan 8.230 nan 0.000 0.437 73 A N 0.034 122.847 122.820 -0.011 0.000 2.067 73 A HA -0.019 4.302 4.320 0.001 0.000 0.219 73 A C 2.261 179.835 177.584 -0.016 0.000 1.158 73 A CA 1.331 53.360 52.037 -0.013 0.000 0.661 73 A CB -0.462 18.530 19.000 -0.014 0.000 0.801 73 A HN 0.373 nan 8.150 nan 0.000 0.452 74 A N -1.517 121.292 122.820 -0.019 0.000 2.259 74 A HA 0.416 4.737 4.320 0.001 0.000 0.208 74 A C 1.721 179.294 177.584 -0.019 0.000 1.201 74 A CA 1.059 53.084 52.037 -0.021 0.000 0.824 74 A CB -1.038 17.949 19.000 -0.023 0.000 0.838 74 A HN 1.797 nan 8.150 nan 0.000 0.485 75 G N -1.201 107.589 108.800 -0.017 0.000 2.143 75 G HA2 -0.233 3.728 3.960 0.001 0.000 0.248 75 G HA3 -0.233 3.728 3.960 0.001 0.000 0.248 75 G C 0.087 174.974 174.900 -0.021 0.000 0.991 75 G CA 0.499 45.589 45.100 -0.017 0.000 0.689 75 G HN 0.460 nan 8.290 nan 0.000 0.522 76 L N -0.408 120.800 121.223 -0.025 0.000 2.421 76 L HA 0.560 4.901 4.340 0.001 0.000 0.263 76 L C 1.230 178.078 176.870 -0.035 0.000 1.122 76 L CA -0.967 53.852 54.840 -0.033 0.000 0.804 76 L CB 0.775 42.810 42.059 -0.040 0.000 1.150 76 L HN 0.062 nan 8.230 nan 0.000 0.457 77 R N 1.263 121.736 120.500 -0.044 0.000 2.202 77 R HA 0.491 4.832 4.340 0.001 0.000 0.334 77 R C -1.209 175.051 176.300 -0.066 0.000 1.036 77 R CA -0.394 55.680 56.100 -0.043 0.000 0.878 77 R CB 1.082 31.359 30.300 -0.037 0.000 1.067 77 R HN 0.294 nan 8.270 nan 0.000 0.457 78 V N 1.767 121.645 119.914 -0.059 0.000 2.656 78 V HA 0.620 4.741 4.120 0.001 0.000 0.307 78 V C 0.350 176.389 176.094 -0.093 0.000 1.051 78 V CA -0.939 61.304 62.300 -0.094 0.000 0.893 78 V CB 2.178 33.964 31.823 -0.063 0.000 0.999 78 V HN 0.920 nan 8.190 nan 0.000 0.426 79 G N 2.097 110.761 108.800 -0.227 0.000 2.452 79 G HA2 0.684 4.645 3.960 0.001 0.000 0.324 79 G HA3 0.684 4.645 3.960 0.001 0.000 0.324 79 G C -1.455 173.242 174.900 -0.339 0.000 1.214 79 G CA -0.587 44.344 45.100 -0.282 0.000 0.947 79 G HN 0.569 nan 8.290 nan 0.000 0.478 80 V N 1.902 121.832 119.914 0.026 0.000 2.588 80 V HA 0.397 4.518 4.120 0.001 0.000 0.304 80 V C -1.341 175.029 176.094 0.460 0.000 1.042 80 V CA -0.925 61.451 62.300 0.126 0.000 0.877 80 V CB 1.704 33.596 31.823 0.114 0.000 0.996 80 V HN 0.719 nan 8.190 nan 0.000 0.425 81 Y N 4.204 124.687 120.300 0.305 0.000 2.331 81 Y HA 0.750 5.300 4.550 0.000 0.000 0.338 81 Y C 0.193 176.214 175.900 0.202 0.000 0.992 81 Y CA -0.693 57.600 58.100 0.321 0.000 1.121 81 Y CB 1.742 40.420 38.460 0.365 0.000 1.184 81 Y HN 0.777 nan 8.280 nan 0.000 0.469 82 S N 3.347 118.952 115.700 -0.158 0.000 2.618 82 S HA 0.968 5.439 4.470 0.001 0.000 0.277 82 S C -1.162 173.287 174.600 -0.252 0.000 1.138 82 S CA -0.226 57.868 58.200 -0.175 0.000 0.844 82 S CB 1.553 64.753 63.200 -0.000 0.000 1.127 82 S HN 1.099 nan 8.310 nan 0.000 0.474 83 S N -0.251 115.367 115.700 -0.136 0.000 2.587 83 S HA 0.787 5.258 4.470 0.001 0.000 0.269 83 S C -3.240 171.266 174.600 -0.157 0.000 1.154 83 S CA -1.045 57.094 58.200 -0.103 0.000 0.824 83 S CB 0.677 63.861 63.200 -0.025 0.000 1.118 83 S HN 0.690 nan 8.310 nan 0.000 0.462 84 P HA 0.399 nan 4.420 nan 0.000 0.318 84 P C -0.849 176.343 177.300 -0.180 0.000 1.309 84 P CA -0.297 62.614 63.100 -0.315 0.000 0.736 84 P CB 0.160 31.523 31.700 -0.562 0.000 1.440 85 H N -2.116 116.898 119.070 -0.094 0.000 2.710 85 H HA 0.418 4.975 4.556 0.002 0.000 0.361 85 H C 0.431 175.873 175.328 0.190 0.000 1.175 85 H CA -0.838 55.251 56.048 0.068 0.000 1.206 85 H CB 1.010 30.772 29.762 -0.000 0.000 1.750 85 H HN 0.104 nan 8.280 nan 0.000 0.553 86 L N 0.009 121.416 121.223 0.307 0.000 2.121 86 L HA 0.068 4.408 4.340 0.001 0.000 0.200 86 L C 2.155 179.090 176.870 0.110 0.000 1.077 86 L CA 0.685 55.621 54.840 0.159 0.000 0.766 86 L CB -0.045 42.014 42.059 0.001 0.000 0.931 86 L HN 0.484 nan 8.230 nan 0.000 0.452 87 L N -1.838 119.479 121.223 0.156 0.000 2.547 87 L HA 0.221 4.562 4.340 0.001 0.000 0.218 87 L C 0.343 177.331 176.870 0.197 0.000 1.048 87 L CA 0.045 54.965 54.840 0.132 0.000 0.859 87 L CB 0.415 42.508 42.059 0.057 0.000 1.128 87 L HN 0.033 nan 8.230 nan 0.000 0.483 88 R N -1.612 118.985 120.500 0.161 0.000 2.628 88 R HA 0.181 4.522 4.340 0.001 0.000 0.288 88 R C -0.114 176.007 176.300 -0.298 0.000 0.980 88 R CA -0.620 55.487 56.100 0.012 0.000 0.891 88 R CB 1.615 31.921 30.300 0.010 0.000 1.188 88 R HN -0.138 nan 8.270 nan 0.000 0.450 89 Y N 2.216 122.142 120.300 -0.624 0.000 2.193 89 Y HA -0.299 4.252 4.550 0.002 0.000 0.285 89 Y C 2.286 177.936 175.900 -0.415 0.000 1.166 89 Y CA 2.637 60.296 58.100 -0.736 0.000 1.181 89 Y CB 0.099 38.339 38.460 -0.367 0.000 0.976 89 Y HN 0.759 nan 8.280 nan 0.000 0.520 90 T N -2.662 111.744 114.554 -0.247 0.000 2.977 90 T HA -0.186 4.165 4.350 0.001 0.000 0.271 90 T C 1.415 176.049 174.700 -0.111 0.000 1.105 90 T CA 1.403 63.365 62.100 -0.231 0.000 1.116 90 T CB -0.466 68.356 68.868 -0.076 0.000 0.878 90 T HN 0.537 nan 8.240 nan 0.000 0.509 91 E N 1.111 121.239 120.200 -0.121 0.000 2.209 91 E HA -0.118 4.233 4.350 0.001 0.000 0.196 91 E C 2.420 179.000 176.600 -0.034 0.000 0.993 91 E CA 0.809 57.190 56.400 -0.032 0.000 0.819 91 E CB -0.166 29.556 29.700 0.037 0.000 0.745 91 E HN 0.570 nan 8.360 nan 0.000 0.477 92 R N 0.244 120.648 120.500 -0.161 0.000 2.235 92 R HA 0.013 4.353 4.340 0.001 0.000 0.213 92 R C -0.010 176.367 176.300 0.129 0.000 1.059 92 R CA 0.427 56.471 56.100 -0.094 0.000 0.997 92 R CB 0.385 30.507 30.300 -0.297 0.000 0.884 92 R HN -0.038 nan 8.270 nan 0.000 0.462 93 V N 1.697 121.702 119.914 0.152 0.000 2.443 93 V HA 0.323 4.444 4.120 0.001 0.000 0.293 93 V C -0.321 175.888 176.094 0.192 0.000 1.021 93 V CA -0.782 61.645 62.300 0.212 0.000 0.848 93 V CB 1.897 33.760 31.823 0.067 0.000 0.998 93 V HN 0.116 nan 8.190 nan 0.000 0.424 94 R N 4.735 125.380 120.500 0.242 0.000 2.562 94 R HA 0.764 5.105 4.340 0.001 0.000 0.298 94 R C -1.282 175.140 176.300 0.205 0.000 0.961 94 R CA -0.709 55.493 56.100 0.171 0.000 0.881 94 R CB 2.638 33.012 30.300 0.124 0.000 1.159 94 R HN 0.574 nan 8.270 nan 0.000 0.450 95 I N 2.898 123.549 120.570 0.136 0.000 2.498 95 I HA 0.107 4.278 4.170 0.001 0.000 0.290 95 I C -0.148 176.005 176.117 0.060 0.000 1.032 95 I CA -0.649 60.720 61.300 0.115 0.000 1.073 95 I CB 2.033 40.099 38.000 0.110 0.000 1.251 95 I HN 0.542 nan 8.210 nan 0.000 0.426 96 Q N 4.060 123.882 119.800 0.038 0.000 2.461 96 Q HA -0.229 4.112 4.340 0.001 0.000 0.273 96 Q C 1.001 177.017 176.000 0.026 0.000 1.163 96 Q CA 1.262 57.077 55.803 0.021 0.000 0.929 96 Q CB -1.793 26.954 28.738 0.015 0.000 1.334 96 Q HN 1.265 nan 8.270 nan 0.000 0.499 97 G N -1.514 107.307 108.800 0.035 0.000 2.179 97 G HA2 -0.306 3.655 3.960 0.001 0.000 0.260 97 G HA3 -0.306 3.655 3.960 0.001 0.000 0.260 97 G C 0.054 174.979 174.900 0.042 0.000 0.977 97 G CA 0.677 45.799 45.100 0.036 0.000 0.641 97 G HN 0.346 nan 8.290 nan 0.000 0.533 98 Q N 0.033 119.862 119.800 0.047 0.000 2.387 98 Q HA 0.466 4.807 4.340 0.001 0.000 0.273 98 Q C -0.194 175.842 176.000 0.061 0.000 1.089 98 Q CA -0.748 55.083 55.803 0.046 0.000 0.824 98 Q CB 1.785 30.544 28.738 0.035 0.000 1.367 98 Q HN 0.574 nan 8.270 nan 0.000 0.443 99 E N 1.139 121.376 120.200 0.060 0.000 2.392 99 E HA 0.272 4.622 4.350 0.001 0.000 0.259 99 E C -0.225 176.421 176.600 0.077 0.000 1.108 99 E CA -0.111 56.335 56.400 0.078 0.000 0.916 99 E CB 0.813 30.552 29.700 0.066 0.000 0.989 99 E HN 0.289 nan 8.360 nan 0.000 0.432 100 L N 0.681 121.969 121.223 0.109 0.000 2.440 100 L HA 0.303 4.644 4.340 0.001 0.000 0.262 100 L C 0.590 177.537 176.870 0.128 0.000 1.072 100 L CA -0.857 54.030 54.840 0.078 0.000 0.798 100 L CB 1.081 43.137 42.059 -0.004 0.000 1.307 100 L HN 0.562 nan 8.230 nan 0.000 0.475 101 S N -1.466 114.288 115.700 0.091 0.000 2.617 101 S HA 0.153 4.624 4.470 0.001 0.000 0.269 101 S C 0.652 175.358 174.600 0.177 0.000 1.292 101 S CA -0.664 57.596 58.200 0.099 0.000 1.010 101 S CB 1.263 64.493 63.200 0.050 0.000 0.944 101 S HN 0.641 nan 8.310 nan 0.000 0.536 102 E N 1.316 121.604 120.200 0.147 0.000 2.085 102 E HA -0.196 4.155 4.350 0.001 0.000 0.194 102 E C 2.305 179.014 176.600 0.182 0.000 0.994 102 E CA 1.376 57.875 56.400 0.165 0.000 0.801 102 E CB -0.487 29.286 29.700 0.122 0.000 0.743 102 E HN 0.843 nan 8.360 nan 0.000 0.453 103 A N 1.445 124.349 122.820 0.140 0.000 1.933 103 A HA -0.242 4.078 4.320 0.001 0.000 0.218 103 A C 1.915 179.579 177.584 0.134 0.000 1.175 103 A CA 1.486 53.620 52.037 0.162 0.000 0.628 103 A CB -0.410 18.654 19.000 0.108 0.000 0.814 103 A HN 0.183 nan 8.150 nan 0.000 0.444 104 E N -1.028 119.185 120.200 0.022 0.000 2.085 104 E HA -0.206 4.145 4.350 0.001 0.000 0.194 104 E C 1.962 178.465 176.600 -0.162 0.000 0.994 104 E CA 1.276 57.618 56.400 -0.096 0.000 0.801 104 E CB -0.284 29.323 29.700 -0.155 0.000 0.743 104 E HN 0.720 nan 8.360 nan 0.000 0.453 105 H N -0.255 118.738 119.070 -0.128 0.000 2.357 105 H HA 0.003 4.559 4.556 0.000 0.000 0.301 105 H C 2.411 177.529 175.328 -0.349 0.000 1.082 105 H CA 1.321 57.187 56.048 -0.304 0.000 1.342 105 H CB 0.112 29.760 29.762 -0.191 0.000 1.389 105 H HN 0.076 nan 8.280 nan 0.000 0.511 106 S N -0.056 115.658 115.700 0.024 0.000 2.382 106 S HA -0.145 4.326 4.470 0.001 0.000 0.228 106 S C 1.880 176.405 174.600 -0.125 0.000 1.027 106 S CA 1.065 59.239 58.200 -0.042 0.000 0.991 106 S CB -0.194 63.170 63.200 0.274 0.000 0.823 106 S HN 0.532 nan 8.310 nan 0.000 0.469 107 H N 0.446 119.461 119.070 -0.092 0.000 2.389 107 H HA 0.069 4.627 4.556 0.003 0.000 0.299 107 H C 2.534 177.760 175.328 -0.170 0.000 1.081 107 H CA 1.423 57.421 56.048 -0.084 0.000 1.345 107 H CB -0.338 29.385 29.762 -0.066 0.000 1.393 107 H HN 0.286 nan 8.280 nan 0.000 0.520 108 S N -0.606 114.991 115.700 -0.171 0.000 2.355 108 S HA -0.130 4.341 4.470 0.001 0.000 0.222 108 S C 1.831 176.254 174.600 -0.295 0.000 1.031 108 S CA 0.853 58.889 58.200 -0.274 0.000 0.993 108 S CB -0.352 62.593 63.200 -0.424 0.000 0.859 108 S HN 0.244 nan 8.310 nan 0.000 0.453 109 F N 2.272 121.949 119.950 -0.454 0.000 2.126 109 F HA -0.021 4.508 4.527 0.003 0.000 0.299 109 F C 2.681 178.116 175.800 -0.608 0.000 1.096 109 F CA 0.703 58.310 58.000 -0.656 0.000 1.255 109 F CB -1.282 36.815 39.000 -1.506 0.000 0.997 109 F HN 0.289 nan 8.300 nan 0.000 0.479 110 A N -0.425 122.177 122.820 -0.362 0.000 1.940 110 A HA -0.249 4.072 4.320 0.001 0.000 0.219 110 A C 2.156 179.776 177.584 0.059 0.000 1.176 110 A CA 1.784 53.852 52.037 0.053 0.000 0.631 110 A CB -0.776 18.297 19.000 0.121 0.000 0.814 110 A HN 0.508 nan 8.150 nan 0.000 0.446 111 Q N -0.727 119.061 119.800 -0.021 0.000 2.119 111 Q HA -0.094 4.247 4.340 0.001 0.000 0.201 111 Q C 1.953 177.934 176.000 -0.031 0.000 0.972 111 Q CA 1.112 56.902 55.803 -0.021 0.000 0.847 111 Q CB -0.265 28.440 28.738 -0.055 0.000 0.903 111 Q HN 0.591 nan 8.270 nan 0.000 0.433 112 I N 1.061 121.595 120.570 -0.059 0.000 2.226 112 I HA -0.231 3.940 4.170 0.001 0.000 0.245 112 I C 2.342 178.399 176.117 -0.101 0.000 1.100 112 I CA 1.469 62.672 61.300 -0.161 0.000 1.374 112 I CB -1.040 36.770 38.000 -0.316 0.000 1.057 112 I HN 0.254 nan 8.210 nan 0.000 0.413 113 E N 1.462 121.753 120.200 0.153 0.000 2.106 113 E HA -0.128 4.223 4.350 0.001 0.000 0.192 113 E C 2.196 178.899 176.600 0.171 0.000 0.984 113 E CA 1.575 58.176 56.400 0.335 0.000 0.806 113 E CB -0.124 29.936 29.700 0.601 0.000 0.750 113 E HN 0.363 nan 8.360 nan 0.000 0.458 114 A N 0.249 123.138 122.820 0.116 0.000 1.877 114 A HA -0.010 4.311 4.320 0.001 0.000 0.216 114 A C 2.477 180.080 177.584 0.032 0.000 1.186 114 A CA 1.667 53.745 52.037 0.068 0.000 0.620 114 A CB -1.321 17.707 19.000 0.047 0.000 0.822 114 A HN 0.414 nan 8.150 nan 0.000 0.443 115 G N -0.121 108.679 108.800 -0.000 0.000 2.484 115 G HA2 -0.157 3.804 3.960 0.001 0.000 0.218 115 G HA3 -0.157 3.804 3.960 0.001 0.000 0.218 115 G C 1.601 176.483 174.900 -0.030 0.000 1.130 115 G CA 0.849 45.934 45.100 -0.024 0.000 0.784 115 G HN 0.729 nan 8.290 nan 0.000 0.543 116 R N 0.314 120.793 120.500 -0.036 0.000 2.236 116 R HA 0.283 4.624 4.340 0.001 0.000 0.208 116 R C 1.713 178.019 176.300 0.009 0.000 1.036 116 R CA 1.036 57.114 56.100 -0.037 0.000 1.001 116 R CB -0.517 29.740 30.300 -0.072 0.000 0.896 116 R HN 0.345 nan 8.270 nan 0.000 0.464 117 G N 2.095 110.913 108.800 0.029 0.000 2.596 117 G HA2 -0.435 3.526 3.960 0.001 0.000 0.304 117 G HA3 -0.435 3.526 3.960 0.001 0.000 0.304 117 G C 0.169 175.101 174.900 0.054 0.000 1.189 117 G CA 0.613 45.735 45.100 0.037 0.000 0.986 117 G HN 0.631 nan 8.290 nan 0.000 0.548 118 D N 0.667 121.094 120.400 0.045 0.000 2.402 118 D HA 0.242 4.883 4.640 0.001 0.000 0.216 118 D C 1.002 177.333 176.300 0.052 0.000 1.128 118 D CA -0.276 53.756 54.000 0.054 0.000 0.833 118 D CB -0.260 40.566 40.800 0.044 0.000 0.971 118 D HN 0.618 nan 8.370 nan 0.000 0.503 119 I N 1.479 122.075 120.570 0.042 0.000 2.533 119 I HA 0.010 4.181 4.170 0.001 0.000 0.284 119 I C 0.503 176.655 176.117 0.057 0.000 1.109 119 I CA -0.010 61.312 61.300 0.036 0.000 1.412 119 I CB 0.874 38.883 38.000 0.015 0.000 1.396 119 I HN -0.163 nan 8.210 nan 0.000 0.543 120 S N 7.097 122.833 115.700 0.061 0.000 2.584 120 S HA 0.632 5.103 4.470 0.001 0.000 0.273 120 S C -0.244 174.406 174.600 0.084 0.000 1.311 120 S CA -0.466 57.784 58.200 0.083 0.000 1.034 120 S CB 0.824 64.062 63.200 0.063 0.000 0.939 120 S HN 0.337 nan 8.310 nan 0.000 0.513 121 L N 1.840 123.143 121.223 0.134 0.000 2.445 121 L HA 0.470 4.811 4.340 0.001 0.000 0.262 121 L C 0.521 177.511 176.870 0.199 0.000 0.974 121 L CA -0.902 54.033 54.840 0.158 0.000 0.822 121 L CB 2.449 44.615 42.059 0.179 0.000 1.339 121 L HN 0.714 nan 8.230 nan 0.000 0.409 122 T N -2.592 112.077 114.554 0.191 0.000 2.754 122 T HA 0.094 4.445 4.350 0.001 0.000 0.286 122 T C 1.045 175.930 174.700 0.308 0.000 0.997 122 T CA -0.008 62.221 62.100 0.214 0.000 0.982 122 T CB 0.725 69.726 68.868 0.221 0.000 1.027 122 T HN 0.564 nan 8.240 nan 0.000 0.529 123 Y N 0.350 120.739 120.300 0.150 0.000 2.081 123 Y HA -0.204 4.346 4.550 0.001 0.000 0.280 123 Y C 2.048 178.128 175.900 0.300 0.000 1.163 123 Y CA 1.967 60.164 58.100 0.162 0.000 1.135 123 Y CB -0.347 38.184 38.460 0.118 0.000 0.970 123 Y HN 0.686 nan 8.280 nan 0.000 0.498 124 F N 0.943 121.194 119.950 0.501 0.000 2.293 124 F HA -0.035 4.493 4.527 0.001 0.000 0.297 124 F C 2.053 178.050 175.800 0.329 0.000 1.089 124 F CA 1.590 59.855 58.000 0.441 0.000 1.377 124 F CB -0.276 38.925 39.000 0.334 0.000 1.051 124 F HN 0.114 nan 8.300 nan 0.000 0.511 125 E N -0.514 119.855 120.200 0.282 0.000 2.072 125 E HA -0.208 4.143 4.350 0.001 0.000 0.191 125 E C 2.127 178.776 176.600 0.081 0.000 0.985 125 E CA 1.374 57.851 56.400 0.129 0.000 0.801 125 E CB -0.405 29.385 29.700 0.151 0.000 0.750 125 E HN 0.448 nan 8.360 nan 0.000 0.452 126 F N 0.834 120.805 119.950 0.035 0.000 2.095 126 F HA -0.156 4.372 4.527 0.001 0.000 0.298 126 F C 2.338 178.189 175.800 0.084 0.000 1.104 126 F CA 1.540 59.565 58.000 0.042 0.000 1.232 126 F CB -0.304 38.699 39.000 0.004 0.000 0.987 126 F HN 0.056 nan 8.300 nan 0.000 0.475 127 G N -1.548 107.444 108.800 0.320 0.000 2.432 127 G HA2 -0.204 3.757 3.960 0.001 0.000 0.219 127 G HA3 -0.204 3.757 3.960 0.001 0.000 0.219 127 G C 1.589 176.476 174.900 -0.022 0.000 1.135 127 G CA 1.386 46.679 45.100 0.323 0.000 0.767 127 G HN 0.331 nan 8.290 nan 0.000 0.550 128 T N 1.237 115.649 114.554 -0.236 0.000 2.851 128 T HA 0.054 4.405 4.350 0.001 0.000 0.262 128 T C 2.435 176.909 174.700 -0.376 0.000 1.043 128 T CA 0.562 62.372 62.100 -0.482 0.000 1.140 128 T CB -0.163 68.472 68.868 -0.387 0.000 0.872 128 T HN 0.134 nan 8.240 nan 0.000 0.446 129 L N 1.007 122.094 121.223 -0.225 0.000 2.042 129 L HA -0.129 4.212 4.340 0.001 0.000 0.210 129 L C 2.892 179.606 176.870 -0.259 0.000 1.076 129 L CA 1.203 55.914 54.840 -0.215 0.000 0.749 129 L CB -0.667 41.265 42.059 -0.211 0.000 0.893 129 L HN 0.296 nan 8.230 nan 0.000 0.432 130 S N -0.282 115.276 115.700 -0.238 0.000 2.368 130 S HA -0.204 4.267 4.470 0.001 0.000 0.225 130 S C 2.137 176.448 174.600 -0.482 0.000 1.030 130 S CA 1.292 59.281 58.200 -0.351 0.000 0.999 130 S CB -0.110 62.800 63.200 -0.483 0.000 0.844 130 S HN 0.439 nan 8.310 nan 0.000 0.459 131 A N 1.527 124.012 122.820 -0.560 0.000 1.902 131 A HA 0.023 4.344 4.320 0.001 0.000 0.217 131 A C 2.226 179.297 177.584 -0.855 0.000 1.181 131 A CA 1.520 53.052 52.037 -0.841 0.000 0.623 131 A CB -0.845 17.496 19.000 -1.099 0.000 0.818 131 A HN 0.588 nan 8.150 nan 0.000 0.443 132 L N -1.054 119.889 121.223 -0.466 0.000 2.042 132 L HA -0.260 4.081 4.340 0.001 0.000 0.210 132 L C 2.886 179.647 176.870 -0.182 0.000 1.076 132 L CA 1.860 56.594 54.840 -0.176 0.000 0.749 132 L CB -0.538 41.448 42.059 -0.122 0.000 0.893 132 L HN 0.532 nan 8.230 nan 0.000 0.432 133 Q N 0.700 120.347 119.800 -0.254 0.000 2.050 133 Q HA -0.185 4.156 4.340 0.001 0.000 0.202 133 Q C 2.165 178.019 176.000 -0.244 0.000 0.980 133 Q CA 1.737 57.410 55.803 -0.216 0.000 0.840 133 Q CB -0.371 28.234 28.738 -0.221 0.000 0.898 133 Q HN 0.443 nan 8.270 nan 0.000 0.424 134 L N -0.580 120.408 121.223 -0.392 0.000 2.079 134 L HA -0.156 4.185 4.340 0.001 0.000 0.210 134 L C 2.048 178.764 176.870 -0.256 0.000 1.081 134 L CA 0.973 55.575 54.840 -0.396 0.000 0.752 134 L CB -0.481 41.226 42.059 -0.588 0.000 0.896 134 L HN 0.229 nan 8.230 nan 0.000 0.433 135 F N 0.072 119.933 119.950 -0.149 0.000 2.163 135 F HA -0.139 4.388 4.527 -0.001 0.000 0.297 135 F C 2.575 178.315 175.800 -0.100 0.000 1.094 135 F CA 0.986 58.919 58.000 -0.113 0.000 1.290 135 F CB -0.771 38.166 39.000 -0.106 0.000 1.017 135 F HN -0.018 nan 8.300 nan 0.000 0.483 136 K N 0.630 121.075 120.400 0.075 0.000 2.032 136 K HA -0.250 4.071 4.320 0.001 0.000 0.209 136 K C 1.856 178.450 176.600 -0.011 0.000 1.048 136 K CA 1.923 58.218 56.287 0.014 0.000 0.927 136 K CB -0.253 32.233 32.500 -0.023 0.000 0.712 136 K HN 0.324 nan 8.250 nan 0.000 0.441 137 Q N -0.615 119.163 119.800 -0.036 0.000 2.291 137 Q HA -0.039 4.302 4.340 0.001 0.000 0.205 137 Q C 1.591 177.574 176.000 -0.029 0.000 0.970 137 Q CA 1.115 56.892 55.803 -0.044 0.000 0.876 137 Q CB 0.092 28.787 28.738 -0.071 0.000 0.935 137 Q HN 0.380 nan 8.270 nan 0.000 0.455 138 A N 0.515 123.331 122.820 -0.007 0.000 2.251 138 A HA 0.022 4.343 4.320 0.001 0.000 0.209 138 A C -0.146 177.438 177.584 -0.001 0.000 1.187 138 A CA -0.154 51.885 52.037 0.002 0.000 0.823 138 A CB 0.257 19.276 19.000 0.033 0.000 0.846 138 A HN 0.040 nan 8.150 nan 0.000 0.486 139 K N -0.442 119.953 120.400 -0.007 0.000 3.653 139 K HA -0.156 4.164 4.320 0.001 0.000 0.275 139 K C -0.680 175.904 176.600 -0.026 0.000 0.962 139 K CA 0.690 56.966 56.287 -0.019 0.000 0.773 139 K CB -2.310 30.177 32.500 -0.021 0.000 1.463 139 K HN 0.566 nan 8.250 nan 0.000 0.450 140 L N 0.421 121.623 121.223 -0.034 0.000 2.344 140 L HA 0.291 4.631 4.340 0.001 0.000 0.272 140 L C 1.628 178.448 176.870 -0.083 0.000 1.035 140 L CA -0.824 53.981 54.840 -0.059 0.000 0.807 140 L CB 0.893 42.904 42.059 -0.079 0.000 1.237 140 L HN 0.066 nan 8.230 nan 0.000 0.442 141 D N 0.376 120.719 120.400 -0.095 0.000 2.201 141 D HA 0.058 4.699 4.640 0.001 0.000 0.209 141 D C 0.089 176.290 176.300 -0.166 0.000 0.961 141 D CA 1.233 55.168 54.000 -0.108 0.000 0.861 141 D CB 0.709 41.456 40.800 -0.088 0.000 0.997 141 D HN 0.117 nan 8.370 nan 0.000 0.486 142 V N 1.085 120.877 119.914 -0.204 0.000 2.760 142 V HA 0.378 4.499 4.120 0.001 0.000 0.309 142 V C -0.334 175.556 176.094 -0.339 0.000 1.077 142 V CA -0.831 61.282 62.300 -0.312 0.000 0.910 142 V CB 3.044 34.676 31.823 -0.319 0.000 1.008 142 V HN -0.255 nan 8.190 nan 0.000 0.424 143 V N 5.306 124.980 119.914 -0.399 0.000 2.540 143 V HA 0.564 4.684 4.120 0.001 0.000 0.302 143 V C -0.590 175.316 176.094 -0.314 0.000 1.035 143 V CA -0.402 61.616 62.300 -0.470 0.000 0.873 143 V CB 2.005 33.500 31.823 -0.546 0.000 0.992 143 V HN 0.718 nan 8.190 nan 0.000 0.428 144 I N 5.870 126.306 120.570 -0.223 0.000 2.362 144 I HA 0.444 4.615 4.170 0.001 0.000 0.289 144 I C -0.699 175.459 176.117 0.070 0.000 0.994 144 I CA -0.316 60.987 61.300 0.004 0.000 1.158 144 I CB 1.500 39.539 38.000 0.066 0.000 1.315 144 I HN 0.326 nan 8.210 nan 0.000 0.451 145 L N 6.514 127.827 121.223 0.149 0.000 2.280 145 L HA 0.420 4.761 4.340 0.001 0.000 0.287 145 L C 0.237 177.249 176.870 0.237 0.000 1.023 145 L CA -0.447 54.549 54.840 0.259 0.000 0.819 145 L CB 1.259 43.471 42.059 0.254 0.000 1.212 145 L HN 0.610 nan 8.230 nan 0.000 0.420 146 E N 3.077 123.407 120.200 0.217 0.000 2.289 146 E HA 0.248 4.599 4.350 0.001 0.000 0.278 146 E C -0.740 175.966 176.600 0.178 0.000 1.032 146 E CA -0.687 55.798 56.400 0.142 0.000 0.854 146 E CB 1.432 31.171 29.700 0.064 0.000 1.046 146 E HN 0.311 nan 8.360 nan 0.000 0.409 147 V N 4.886 124.892 119.914 0.153 0.000 2.655 147 V HA 0.037 4.158 4.120 0.001 0.000 0.300 147 V C 1.434 177.578 176.094 0.082 0.000 1.044 147 V CA 0.860 63.257 62.300 0.160 0.000 1.095 147 V CB 1.276 33.160 31.823 0.102 0.000 0.952 147 V HN 0.991 nan 8.190 nan 0.000 0.485 148 G N 4.789 113.622 108.800 0.055 0.000 2.454 148 G HA2 0.061 4.022 3.960 0.001 0.000 0.214 148 G HA3 0.061 4.022 3.960 0.001 0.000 0.214 148 G C 0.263 174.966 174.900 -0.328 0.000 1.217 148 G CA 0.343 45.189 45.100 -0.423 0.000 0.799 148 G HN 0.469 nan 8.290 nan 0.000 0.538 149 L N -1.370 119.708 121.223 -0.242 0.000 2.455 149 L HA 0.558 4.899 4.340 0.001 0.000 0.264 149 L C 0.993 177.827 176.870 -0.061 0.000 0.968 149 L CA -0.143 54.619 54.840 -0.129 0.000 0.827 149 L CB 2.157 44.130 42.059 -0.142 0.000 1.317 149 L HN 0.597 nan 8.230 nan 0.000 0.407 150 G N 2.233 111.013 108.800 -0.034 0.000 2.675 150 G HA2 -0.126 3.835 3.960 0.001 0.000 0.312 150 G HA3 -0.126 3.835 3.960 0.001 0.000 0.312 150 G C 0.584 175.468 174.900 -0.027 0.000 1.186 150 G CA 0.483 45.564 45.100 -0.032 0.000 0.965 150 G HN 1.367 nan 8.290 nan 0.000 0.548 151 G N -1.598 107.188 108.800 -0.022 0.000 4.399 151 G HA2 0.343 4.303 3.960 0.001 0.000 0.159 151 G HA3 0.343 4.303 3.960 0.001 0.000 0.159 151 G C 1.086 175.990 174.900 0.007 0.000 1.458 151 G CA 1.293 46.391 45.100 -0.003 0.000 0.942 151 G HN 1.367 nan 8.290 nan 0.000 0.306 152 R N 1.041 121.526 120.500 -0.025 0.000 2.227 152 R HA -0.080 4.261 4.340 0.001 0.000 0.246 152 R C 1.781 178.086 176.300 0.008 0.000 1.119 152 R CA 2.448 58.536 56.100 -0.020 0.000 0.930 152 R CB -1.033 29.243 30.300 -0.040 0.000 0.912 152 R HN 0.398 nan 8.270 nan 0.000 0.435 153 L N 0.102 121.330 121.223 0.008 0.000 2.741 153 L HA 0.254 4.595 4.340 0.001 0.000 0.237 153 L C -0.003 176.905 176.870 0.063 0.000 1.178 153 L CA -0.439 54.417 54.840 0.027 0.000 0.973 153 L CB -0.141 41.922 42.059 0.007 0.000 1.255 153 L HN 0.276 nan 8.230 nan 0.000 0.498 154 D N -0.114 120.335 120.400 0.081 0.000 2.341 154 D HA 0.235 4.876 4.640 0.001 0.000 0.245 154 D C 1.246 177.673 176.300 0.212 0.000 1.106 154 D CA 0.395 54.488 54.000 0.156 0.000 0.905 154 D CB 1.724 42.613 40.800 0.150 0.000 1.202 154 D HN 0.117 nan 8.370 nan 0.000 0.426 155 A N 1.907 124.929 122.820 0.337 0.000 1.978 155 A HA -0.165 4.156 4.320 0.001 0.000 0.220 155 A C 2.027 179.729 177.584 0.198 0.000 1.170 155 A CA 2.092 54.279 52.037 0.250 0.000 0.636 155 A CB -1.104 18.044 19.000 0.247 0.000 0.810 155 A HN 0.747 nan 8.150 nan 0.000 0.448 156 T N -2.486 112.239 114.554 0.285 0.000 3.051 156 T HA -0.085 4.266 4.350 0.001 0.000 0.269 156 T C 1.341 176.136 174.700 0.159 0.000 1.127 156 T CA 1.353 63.590 62.100 0.229 0.000 1.107 156 T CB -0.438 68.619 68.868 0.314 0.000 0.898 156 T HN 0.366 nan 8.240 nan 0.000 0.517 157 N N 1.336 120.120 118.700 0.139 0.000 2.461 157 N HA 0.136 4.877 4.740 0.001 0.000 0.188 157 N C 1.528 177.085 175.510 0.078 0.000 1.134 157 N CA 0.032 53.143 53.050 0.102 0.000 0.878 157 N CB -0.536 38.001 38.487 0.083 0.000 0.972 157 N HN 0.801 nan 8.380 nan 0.000 0.456 158 I N -2.966 117.648 120.570 0.073 0.000 2.928 158 I HA 0.068 4.239 4.170 0.001 0.000 0.266 158 I C -0.146 175.997 176.117 0.043 0.000 1.234 158 I CA 0.291 61.620 61.300 0.049 0.000 1.483 158 I CB -0.134 37.886 38.000 0.034 0.000 1.097 158 I HN -0.253 nan 8.210 nan 0.000 0.455 159 V N 3.222 123.168 119.914 0.054 0.000 2.509 159 V HA 0.211 4.332 4.120 0.001 0.000 0.284 159 V C -0.429 175.699 176.094 0.057 0.000 1.047 159 V CA -0.434 61.894 62.300 0.047 0.000 0.952 159 V CB 1.205 33.058 31.823 0.050 0.000 0.988 159 V HN 0.167 nan 8.190 nan 0.000 0.469 160 D N 3.170 123.598 120.400 0.047 0.000 2.325 160 D HA 0.252 4.892 4.640 0.001 0.000 0.251 160 D C 0.372 176.710 176.300 0.064 0.000 1.196 160 D CA 0.167 54.201 54.000 0.057 0.000 0.866 160 D CB 1.359 42.187 40.800 0.046 0.000 1.101 160 D HN 0.672 nan 8.370 nan 0.000 0.476 161 S N 1.385 117.142 115.700 0.095 0.000 2.610 161 S HA 0.210 4.681 4.470 0.001 0.000 0.273 161 S C 0.743 175.417 174.600 0.124 0.000 1.274 161 S CA -0.739 57.531 58.200 0.117 0.000 1.023 161 S CB 1.984 65.284 63.200 0.168 0.000 0.962 161 S HN 0.261 nan 8.310 nan 0.000 0.523 162 D N 0.257 120.744 120.400 0.144 0.000 2.183 162 D HA 0.093 4.734 4.640 0.001 0.000 0.205 162 D C 0.173 176.607 176.300 0.223 0.000 0.962 162 D CA 1.074 55.173 54.000 0.165 0.000 0.849 162 D CB 0.216 41.105 40.800 0.147 0.000 0.978 162 D HN 0.329 nan 8.370 nan 0.000 0.488 163 V N 0.288 120.394 119.914 0.320 0.000 2.841 163 V HA 0.650 4.771 4.120 0.001 0.000 0.310 163 V C -0.613 175.592 176.094 0.185 0.000 1.090 163 V CA -0.979 61.434 62.300 0.190 0.000 0.930 163 V CB 2.118 33.962 31.823 0.035 0.000 1.014 163 V HN 0.095 nan 8.190 nan 0.000 0.425 164 A N 2.573 125.476 122.820 0.139 0.000 2.413 164 A HA 1.054 5.375 4.320 0.001 0.000 0.307 164 A C -0.484 177.224 177.584 0.206 0.000 1.087 164 A CA -0.220 51.946 52.037 0.216 0.000 0.750 164 A CB 1.955 21.168 19.000 0.355 0.000 1.296 164 A HN 1.700 nan 8.150 nan 0.000 0.423 165 A N 0.849 123.816 122.820 0.245 0.000 2.475 165 A HA 0.782 5.103 4.320 0.001 0.000 0.301 165 A C -1.172 176.575 177.584 0.270 0.000 1.059 165 A CA -0.370 51.809 52.037 0.238 0.000 0.710 165 A CB 0.962 20.039 19.000 0.128 0.000 1.288 165 A HN 0.753 nan 8.150 nan 0.000 0.408 166 I N 1.899 122.643 120.570 0.291 0.000 2.389 166 I HA 0.282 4.453 4.170 0.001 0.000 0.288 166 I C 1.493 177.726 176.117 0.192 0.000 0.999 166 I CA -0.344 61.081 61.300 0.209 0.000 1.129 166 I CB 2.403 40.527 38.000 0.206 0.000 1.288 166 I HN 0.924 nan 8.210 nan 0.000 0.444 167 T N 0.865 115.503 114.554 0.139 0.000 2.896 167 T HA 0.077 4.428 4.350 0.001 0.000 0.263 167 T C 0.665 175.444 174.700 0.131 0.000 1.050 167 T CA 0.717 62.899 62.100 0.137 0.000 1.140 167 T CB 0.050 68.971 68.868 0.088 0.000 0.877 167 T HN 0.645 nan 8.240 nan 0.000 0.457 168 S N -0.180 115.569 115.700 0.081 0.000 2.595 168 S HA 0.620 5.091 4.470 0.001 0.000 0.270 168 S C -1.980 172.595 174.600 -0.042 0.000 1.145 168 S CA -1.227 56.990 58.200 0.029 0.000 0.825 168 S CB 1.350 64.565 63.200 0.025 0.000 1.107 168 S HN 0.185 nan 8.310 nan 0.000 0.461 169 I N 1.605 122.111 120.570 -0.106 0.000 2.447 169 I HA 0.844 5.015 4.170 0.001 0.000 0.287 169 I C 0.142 176.125 176.117 -0.223 0.000 1.023 169 I CA -0.298 60.937 61.300 -0.109 0.000 1.083 169 I CB 0.817 38.793 38.000 -0.040 0.000 1.245 169 I HN 1.203 nan 8.210 nan 0.000 0.434 170 A N 5.778 128.474 122.820 -0.208 0.000 2.599 170 A HA 0.779 5.100 4.320 0.001 0.000 0.290 170 A C -1.722 175.838 177.584 -0.041 0.000 1.101 170 A CA -0.576 51.349 52.037 -0.187 0.000 0.674 170 A CB 1.185 19.930 19.000 -0.424 0.000 1.277 170 A HN 0.379 nan 8.150 nan 0.000 0.419 171 L N 1.084 122.316 121.223 0.014 0.000 2.331 171 L HA 0.394 4.735 4.340 0.001 0.000 0.278 171 L C 0.552 177.453 176.870 0.051 0.000 1.106 171 L CA 0.649 55.523 54.840 0.056 0.000 0.824 171 L CB 0.746 42.838 42.059 0.055 0.000 1.142 171 L HN 0.799 nan 8.230 nan 0.000 0.443 172 D N 0.632 121.076 120.400 0.072 0.000 2.479 172 D HA 0.135 4.776 4.640 0.001 0.000 0.218 172 D C -0.199 176.002 176.300 -0.164 0.000 1.177 172 D CA 0.276 54.298 54.000 0.036 0.000 0.830 172 D CB 0.246 41.128 40.800 0.136 0.000 1.014 172 D HN 0.427 nan 8.370 nan 0.000 0.503 173 H N -2.094 116.813 119.070 -0.272 0.000 2.990 173 H HA 0.197 4.754 4.556 0.001 0.000 0.336 173 H C 0.051 175.115 175.328 -0.441 0.000 1.306 173 H CA -0.421 55.270 56.048 -0.594 0.000 1.118 173 H CB 1.941 30.804 29.762 -1.499 0.000 1.856 173 H HN -0.127 nan 8.280 nan 0.000 0.538 174 T N -0.612 113.713 114.554 -0.381 0.000 3.610 174 T HA 0.067 4.418 4.350 0.001 0.000 0.209 174 T C 0.010 174.673 174.700 -0.062 0.000 0.889 174 T CA 1.071 63.061 62.100 -0.183 0.000 1.469 174 T CB -0.549 68.222 68.868 -0.162 0.000 1.557 174 T HN 0.719 nan 8.240 nan 0.000 0.431 175 D N 0.635 121.017 120.400 -0.031 0.000 2.517 175 D HA 0.435 5.076 4.640 0.001 0.000 0.220 175 D C -1.127 175.378 176.300 0.343 0.000 1.158 175 D CA -0.417 53.652 54.000 0.116 0.000 0.992 175 D CB -0.539 nan 40.800 nan 0.000 1.058 175 D HN 0.363 nan 8.370 nan 0.000 0.516 176 W N 1.223 122.536 121.300 0.023 0.000 3.097 176 W HA 0.459 5.120 4.660 0.001 0.000 0.335 176 W C -0.650 175.867 176.519 -0.003 0.000 1.114 176 W CA -1.698 55.650 57.345 0.005 0.000 1.231 176 W CB 1.694 31.159 29.460 0.007 0.000 1.388 176 W HN 0.397 nan 8.180 nan 0.000 0.485 177 L N 3.691 124.943 121.223 0.048 0.000 2.410 177 L HA 0.519 4.860 4.340 0.001 0.000 0.273 177 L C 1.255 178.096 176.870 -0.047 0.000 1.144 177 L CA 1.644 56.472 54.840 -0.020 0.000 0.863 177 L CB 0.524 42.533 42.059 -0.084 0.000 1.140 177 L HN 0.860 nan 8.230 nan 0.000 0.463 178 G N 2.260 111.055 108.800 -0.008 0.000 2.187 178 G HA2 -0.351 3.610 3.960 0.001 0.000 0.261 178 G HA3 -0.351 3.610 3.960 0.001 0.000 0.261 178 G C 0.275 175.180 174.900 0.008 0.000 1.000 178 G CA 0.619 45.711 45.100 -0.014 0.000 0.718 178 G HN 1.572 nan 8.290 nan 0.000 0.519 179 Y N 0.685 121.024 120.300 0.066 0.000 2.623 179 Y HA 0.530 5.081 4.550 0.001 0.000 0.341 179 Y C 0.550 176.522 175.900 0.119 0.000 1.292 179 Y CA -0.088 58.097 58.100 0.142 0.000 1.840 179 Y CB -0.498 38.168 38.460 0.344 0.000 1.865 179 Y HN 0.631 nan 8.280 nan 0.000 0.440 180 D N -1.117 119.326 120.400 0.071 0.000 2.493 180 D HA 0.300 4.941 4.640 0.001 0.000 0.239 180 D C 0.875 177.202 176.300 0.044 0.000 1.049 180 D CA -1.105 52.929 54.000 0.057 0.000 1.008 180 D CB 0.955 41.779 40.800 0.040 0.000 1.398 180 D HN 0.199 nan 8.370 nan 0.000 0.513 181 R N -0.444 120.078 120.500 0.036 0.000 2.133 181 R HA -0.157 4.184 4.340 0.001 0.000 0.247 181 R C 1.442 177.750 176.300 0.014 0.000 1.151 181 R CA 1.526 57.639 56.100 0.023 0.000 0.971 181 R CB -0.068 30.243 30.300 0.018 0.000 0.866 181 R HN 0.538 nan 8.270 nan 0.000 0.447 182 E N -0.171 120.037 120.200 0.012 0.000 2.072 182 E HA -0.101 4.250 4.350 0.001 0.000 0.190 182 E C 1.984 178.581 176.600 -0.005 0.000 0.982 182 E CA 0.871 57.273 56.400 0.005 0.000 0.803 182 E CB -0.286 29.417 29.700 0.005 0.000 0.755 182 E HN 0.128 nan 8.360 nan 0.000 0.453 183 S N 0.497 116.195 115.700 -0.004 0.000 2.368 183 S HA -0.094 4.377 4.470 0.001 0.000 0.225 183 S C 2.108 176.695 174.600 -0.023 0.000 1.030 183 S CA 0.710 58.899 58.200 -0.018 0.000 0.999 183 S CB -0.154 63.035 63.200 -0.018 0.000 0.844 183 S HN 0.132 nan 8.310 nan 0.000 0.459 184 I N 1.079 121.648 120.570 -0.002 0.000 2.179 184 I HA -0.088 4.083 4.170 0.001 0.000 0.242 184 I C 2.697 178.801 176.117 -0.021 0.000 1.088 184 I CA 1.203 62.504 61.300 0.001 0.000 1.357 184 I CB -0.811 37.208 38.000 0.031 0.000 1.051 184 I HN 0.422 nan 8.210 nan 0.000 0.409 185 G N 0.426 109.214 108.800 -0.019 0.000 2.442 185 G HA2 -0.298 3.663 3.960 0.001 0.000 0.219 185 G HA3 -0.298 3.663 3.960 0.001 0.000 0.219 185 G C 1.772 176.632 174.900 -0.067 0.000 1.141 185 G CA 0.845 45.926 45.100 -0.032 0.000 0.763 185 G HN 0.287 nan 8.290 nan 0.000 0.554 186 R N 0.384 120.851 120.500 -0.055 0.000 2.073 186 R HA -0.042 4.299 4.340 0.001 0.000 0.234 186 R C 2.404 178.646 176.300 -0.097 0.000 1.134 186 R CA 1.714 57.772 56.100 -0.069 0.000 0.952 186 R CB -0.382 29.891 30.300 -0.046 0.000 0.850 186 R HN 0.499 nan 8.270 nan 0.000 0.433 187 E N 0.513 120.663 120.200 -0.083 0.000 2.038 187 E HA -0.231 4.120 4.350 0.001 0.000 0.195 187 E C 1.731 178.261 176.600 -0.117 0.000 1.000 187 E CA 1.692 58.040 56.400 -0.087 0.000 0.803 187 E CB 0.123 29.780 29.700 -0.071 0.000 0.750 187 E HN 0.316 nan 8.360 nan 0.000 0.448 188 K N -0.182 120.143 120.400 -0.125 0.000 2.147 188 K HA -0.106 4.215 4.320 0.001 0.000 0.205 188 K C 2.032 178.427 176.600 -0.342 0.000 1.049 188 K CA 0.941 57.132 56.287 -0.160 0.000 0.936 188 K CB -0.081 32.355 32.500 -0.105 0.000 0.722 188 K HN 0.114 nan 8.250 nan 0.000 0.446 189 A N 1.223 123.771 122.820 -0.453 0.000 2.172 189 A HA -0.017 4.304 4.320 0.001 0.000 0.216 189 A C 2.197 179.392 177.584 -0.648 0.000 1.154 189 A CA 1.276 52.753 52.037 -0.934 0.000 0.701 189 A CB -0.709 17.936 19.000 -0.590 0.000 0.789 189 A HN 0.403 nan 8.150 nan 0.000 0.465 190 G N -0.136 108.483 108.800 -0.301 0.000 2.586 190 G HA2 -0.012 3.949 3.960 0.001 0.000 0.215 190 G HA3 -0.012 3.949 3.960 0.001 0.000 0.215 190 G C 1.303 176.158 174.900 -0.076 0.000 1.128 190 G CA 1.178 46.196 45.100 -0.137 0.000 0.774 190 G HN 0.963 nan 8.290 nan 0.000 0.543 191 V N -3.059 116.784 119.914 -0.118 0.000 3.306 191 V HA 0.316 4.436 4.120 0.001 0.000 0.264 191 V C 0.983 177.196 176.094 0.197 0.000 1.149 191 V CA -0.582 61.739 62.300 0.035 0.000 1.143 191 V CB -0.964 30.897 31.823 0.064 0.000 0.767 191 V HN -0.009 nan 8.190 nan 0.000 0.476 192 F N 2.141 122.117 119.950 0.043 0.000 2.490 192 F HA 0.610 5.138 4.527 0.001 0.000 0.336 192 F C 1.047 176.867 175.800 0.033 0.000 1.178 192 F CA -0.661 57.360 58.000 0.036 0.000 1.301 192 F CB 0.068 39.079 39.000 0.020 0.000 1.175 192 F HN 0.110 nan 8.300 nan 0.000 0.593 193 R N 0.094 120.725 120.500 0.219 0.000 2.686 193 R HA 0.392 4.733 4.340 0.001 0.000 0.283 193 R C -0.223 176.119 176.300 0.070 0.000 0.978 193 R CA -0.963 55.210 56.100 0.122 0.000 0.897 193 R CB 1.534 31.894 30.300 0.100 0.000 1.192 193 R HN 0.751 nan 8.270 nan 0.000 0.457 194 G N -0.148 108.686 108.800 0.056 0.000 2.225 194 G HA2 0.289 4.250 3.960 0.001 0.000 0.245 194 G HA3 0.289 4.250 3.960 0.001 0.000 0.245 194 G C 0.952 175.865 174.900 0.022 0.000 1.249 194 G CA 0.810 45.929 45.100 0.031 0.000 0.919 194 G HN 0.807 nan 8.290 nan 0.000 0.486 195 G N 1.306 110.109 108.800 0.005 0.000 2.159 195 G HA2 -0.236 3.725 3.960 0.001 0.000 0.256 195 G HA3 -0.236 3.725 3.960 0.001 0.000 0.256 195 G C 0.419 175.329 174.900 0.017 0.000 0.977 195 G CA 0.717 45.823 45.100 0.010 0.000 0.652 195 G HN 0.771 nan 8.290 nan 0.000 0.531 196 K N 0.214 120.617 120.400 0.005 0.000 2.318 196 K HA 0.564 4.885 4.320 0.001 0.000 0.249 196 K C -2.785 173.800 176.600 -0.025 0.000 0.942 196 K CA -2.359 53.942 56.287 0.024 0.000 0.808 196 K CB 1.912 34.442 32.500 0.050 0.000 1.189 196 K HN -0.067 nan 8.250 nan 0.000 0.428 197 P HA 0.048 nan 4.420 nan 0.000 0.265 197 P C -1.111 176.102 177.300 -0.145 0.000 1.193 197 P CA -0.009 63.094 63.100 0.005 0.000 0.765 197 P CB 0.499 32.282 31.700 0.138 0.000 0.823 198 A N 3.629 126.239 122.820 -0.350 0.000 2.323 198 A HA 0.458 4.779 4.320 0.001 0.000 0.305 198 A C -0.594 176.798 177.584 -0.319 0.000 1.275 198 A CA -0.576 51.066 52.037 -0.658 0.000 0.804 198 A CB 0.424 18.542 19.000 -1.470 0.000 1.152 198 A HN 0.321 nan 8.150 nan 0.000 0.487 199 V N 3.246 123.138 119.914 -0.037 0.000 2.406 199 V HA 0.337 4.458 4.120 0.001 0.000 0.272 199 V C -0.106 176.173 176.094 0.309 0.000 1.043 199 V CA -0.320 62.100 62.300 0.201 0.000 0.915 199 V CB 1.346 33.271 31.823 0.169 0.000 0.988 199 V HN 0.565 nan 8.190 nan 0.000 0.466 200 V N 4.330 124.489 119.914 0.409 0.000 2.350 200 V HA 0.485 4.606 4.120 0.001 0.000 0.285 200 V C 1.046 177.405 176.094 0.442 0.000 1.014 200 V CA 0.042 62.557 62.300 0.358 0.000 0.831 200 V CB 1.389 33.354 31.823 0.237 0.000 1.000 200 V HN 0.950 nan 8.190 nan 0.000 0.433 201 G N 3.188 112.262 108.800 0.455 0.000 3.189 201 G HA2 0.087 4.048 3.960 0.001 0.000 0.225 201 G HA3 0.087 4.048 3.960 0.001 0.000 0.225 201 G C 0.383 175.440 174.900 0.261 0.000 1.159 201 G CA -0.071 45.340 45.100 0.519 0.000 0.763 201 G HN 0.651 nan 8.290 nan 0.000 0.549 202 E N 1.931 122.234 120.200 0.173 0.000 2.223 202 E HA 0.259 4.610 4.350 0.001 0.000 0.282 202 E C -1.252 175.377 176.600 0.049 0.000 1.046 202 E CA -2.394 54.072 56.400 0.110 0.000 0.857 202 E CB 1.618 31.370 29.700 0.086 0.000 1.055 202 E HN 0.053 nan 8.360 nan 0.000 0.409 203 P HA 0.028 nan 4.420 nan 0.000 0.231 203 P C -0.358 176.934 177.300 -0.013 0.000 1.168 203 P CA 0.476 63.564 63.100 -0.019 0.000 0.779 203 P CB 0.414 32.108 31.700 -0.011 0.000 0.844 204 D N 0.105 120.515 120.400 0.017 0.000 2.551 204 D HA 0.174 4.815 4.640 0.001 0.000 0.294 204 D C -0.451 175.859 176.300 0.017 0.000 1.201 204 D CA -0.542 53.466 54.000 0.014 0.000 0.941 204 D CB -0.468 40.347 40.800 0.026 0.000 0.995 204 D HN -0.080 nan 8.370 nan 0.000 0.502 205 M N 2.978 122.586 119.600 0.013 0.000 2.188 205 M HA 0.319 4.800 4.480 0.001 0.000 0.354 205 M C -2.180 174.133 176.300 0.022 0.000 1.342 205 M CA -1.197 54.118 55.300 0.026 0.000 1.117 205 M CB 0.953 33.573 32.600 0.033 0.000 1.670 205 M HN 0.078 nan 8.290 nan 0.000 0.466 206 P HA 0.017 nan 4.420 nan 0.000 0.271 206 P C -0.501 176.812 177.300 0.023 0.000 1.218 206 P CA 0.020 63.131 63.100 0.019 0.000 0.780 206 P CB 0.687 32.396 31.700 0.015 0.000 0.901 207 Q N 2.953 122.763 119.800 0.017 0.000 2.135 207 Q HA -0.187 4.153 4.340 0.001 0.000 0.204 207 Q C 1.988 178.001 176.000 0.021 0.000 0.981 207 Q CA 2.518 58.331 55.803 0.017 0.000 0.856 207 Q CB -1.129 27.615 28.738 0.010 0.000 0.902 207 Q HN 0.569 nan 8.270 nan 0.000 0.425 208 S N -0.668 115.041 115.700 0.015 0.000 2.420 208 S HA -0.198 4.273 4.470 0.001 0.000 0.237 208 S C 1.926 176.540 174.600 0.024 0.000 1.023 208 S CA 1.396 59.602 58.200 0.011 0.000 0.991 208 S CB -0.659 62.540 63.200 -0.002 0.000 0.792 208 S HN 0.487 nan 8.310 nan 0.000 0.488 209 I N 2.040 122.635 120.570 0.042 0.000 2.202 209 I HA -0.099 4.072 4.170 0.001 0.000 0.242 209 I C 3.088 179.295 176.117 0.150 0.000 1.091 209 I CA 1.045 62.401 61.300 0.093 0.000 1.368 209 I CB -0.711 37.365 38.000 0.127 0.000 1.058 209 I HN 0.423 nan 8.210 nan 0.000 0.410 210 A N 0.671 123.548 122.820 0.094 0.000 1.908 210 A HA -0.252 4.069 4.320 0.001 0.000 0.218 210 A C 1.930 179.545 177.584 0.053 0.000 1.181 210 A CA 2.134 54.208 52.037 0.062 0.000 0.627 210 A CB -0.632 18.385 19.000 0.027 0.000 0.818 210 A HN 0.358 nan 8.150 nan 0.000 0.445 211 D N -0.150 120.276 120.400 0.042 0.000 2.092 211 D HA -0.125 4.516 4.640 0.001 0.000 0.193 211 D C 2.116 178.442 176.300 0.044 0.000 0.994 211 D CA 1.652 55.671 54.000 0.031 0.000 0.828 211 D CB -0.693 40.118 40.800 0.019 0.000 0.963 211 D HN 0.221 nan 8.370 nan 0.000 0.450 212 V N 1.595 121.544 119.914 0.057 0.000 2.295 212 V HA -0.253 3.868 4.120 0.001 0.000 0.246 212 V C 2.571 178.746 176.094 0.135 0.000 1.049 212 V CA 1.864 64.207 62.300 0.070 0.000 1.024 212 V CB -0.922 30.919 31.823 0.030 0.000 0.648 212 V HN 0.193 nan 8.190 nan 0.000 0.447 213 A N 0.135 123.080 122.820 0.209 0.000 1.883 213 A HA -0.207 4.114 4.320 0.001 0.000 0.217 213 A C 2.453 180.070 177.584 0.054 0.000 1.186 213 A CA 2.516 54.655 52.037 0.171 0.000 0.624 213 A CB -0.969 18.078 19.000 0.080 0.000 0.822 213 A HN 0.600 nan 8.150 nan 0.000 0.444 214 A N -0.904 121.936 122.820 0.033 0.000 1.883 214 A HA -0.196 4.125 4.320 0.001 0.000 0.217 214 A C 2.032 179.626 177.584 0.016 0.000 1.186 214 A CA 1.761 53.803 52.037 0.008 0.000 0.624 214 A CB -0.571 18.431 19.000 0.004 0.000 0.822 214 A HN 0.519 nan 8.150 nan 0.000 0.444 215 E N -0.223 119.993 120.200 0.027 0.000 2.097 215 E HA -0.187 4.164 4.350 0.001 0.000 0.196 215 E C 1.942 178.560 176.600 0.029 0.000 1.000 215 E CA 1.321 57.736 56.400 0.025 0.000 0.804 215 E CB -0.245 29.471 29.700 0.027 0.000 0.740 215 E HN 0.673 nan 8.360 nan 0.000 0.454 216 L N -0.925 120.325 121.223 0.046 0.000 2.313 216 L HA 0.024 4.365 4.340 0.001 0.000 0.214 216 L C 1.452 178.339 176.870 0.029 0.000 1.119 216 L CA 0.595 55.464 54.840 0.049 0.000 0.809 216 L CB -0.084 42.028 42.059 0.087 0.000 0.933 216 L HN 0.262 nan 8.230 nan 0.000 0.449 217 G N 0.439 109.247 108.800 0.014 0.000 2.182 217 G HA2 -0.239 3.722 3.960 0.001 0.000 0.248 217 G HA3 -0.239 3.722 3.960 0.001 0.000 0.248 217 G C 0.294 175.178 174.900 -0.027 0.000 1.042 217 G CA 0.077 45.173 45.100 -0.008 0.000 0.775 217 G HN 0.506 nan 8.290 nan 0.000 0.501 218 A N -0.827 121.971 122.820 -0.037 0.000 2.351 218 A HA 0.713 5.034 4.320 0.001 0.000 0.257 218 A C 0.485 177.948 177.584 -0.202 0.000 1.087 218 A CA 0.066 52.038 52.037 -0.108 0.000 0.798 218 A CB 0.434 19.351 19.000 -0.139 0.000 1.033 218 A HN 0.511 nan 8.150 nan 0.000 0.488 219 Q N 0.461 120.089 119.800 -0.286 0.000 2.377 219 Q HA 0.426 4.767 4.340 0.001 0.000 0.249 219 Q C -0.777 174.750 176.000 -0.789 0.000 1.005 219 Q CA -0.088 55.427 55.803 -0.480 0.000 0.912 219 Q CB 1.116 29.582 28.738 -0.453 0.000 1.223 219 Q HN 0.575 nan 8.270 nan 0.000 0.459 220 L N 3.780 124.612 121.223 -0.650 0.000 2.360 220 L HA 0.220 4.560 4.340 0.001 0.000 0.276 220 L C -1.461 175.012 176.870 -0.662 0.000 1.121 220 L CA 0.262 54.770 54.840 -0.553 0.000 0.845 220 L CB 0.075 41.966 42.059 -0.280 0.000 1.143 220 L HN 0.489 nan 8.230 nan 0.000 0.452 221 Y N 4.921 125.136 120.300 -0.142 0.000 2.426 221 Y HA 0.537 5.088 4.550 0.002 0.000 0.325 221 Y C -0.077 175.958 175.900 0.225 0.000 0.989 221 Y CA -0.762 57.339 58.100 0.003 0.000 1.284 221 Y CB 0.865 39.202 38.460 -0.206 0.000 1.104 221 Y HN 0.481 nan 8.280 nan 0.000 0.481 222 R N 1.539 122.140 120.500 0.169 0.000 2.474 222 R HA 0.515 4.855 4.340 0.001 0.000 0.295 222 R C -0.044 175.917 176.300 -0.564 0.000 0.980 222 R CA -1.185 54.885 56.100 -0.050 0.000 0.934 222 R CB 1.666 31.921 30.300 -0.075 0.000 1.101 222 R HN 0.590 nan 8.270 nan 0.000 0.469 223 R N 1.786 121.721 120.500 -0.942 0.000 2.585 223 R HA -0.136 4.205 4.340 0.001 0.000 0.275 223 R C -0.547 175.380 176.300 -0.623 0.000 1.018 223 R CA 0.683 55.962 56.100 -1.369 0.000 1.072 223 R CB 0.239 29.939 30.300 -1.001 0.000 0.953 223 R HN 0.720 nan 8.270 nan 0.000 0.419 224 D N 1.253 121.338 120.400 -0.525 0.000 3.028 224 D HA -0.167 4.474 4.640 0.001 0.000 0.207 224 D C 0.290 176.465 176.300 -0.209 0.000 1.100 224 D CA 1.283 55.108 54.000 -0.291 0.000 0.995 224 D CB -0.939 39.728 40.800 -0.221 0.000 1.108 224 D HN 0.347 nan 8.370 nan 0.000 0.421 225 V N -0.765 119.015 119.914 -0.224 0.000 3.668 225 V HA 0.338 4.459 4.120 0.001 0.000 0.199 225 V C 2.169 178.222 176.094 -0.069 0.000 1.241 225 V CA 0.909 63.139 62.300 -0.116 0.000 1.308 225 V CB -0.414 31.362 31.823 -0.077 0.000 1.411 225 V HN 0.192 nan 8.190 nan 0.000 0.535 226 A N 0.142 122.948 122.820 -0.024 0.000 1.975 226 A HA 0.133 4.454 4.320 0.001 0.000 0.215 226 A C 0.841 178.514 177.584 0.149 0.000 1.170 226 A CA 0.820 52.948 52.037 0.151 0.000 0.656 226 A CB -0.073 19.194 19.000 0.445 0.000 0.821 226 A HN 0.733 nan 8.150 nan 0.000 0.449 227 W N -0.764 120.511 121.300 -0.042 0.000 3.118 227 W HA 0.681 5.343 4.660 0.003 0.000 0.328 227 W C -1.054 175.360 176.519 -0.174 0.000 1.239 227 W CA -0.775 56.427 57.345 -0.238 0.000 1.176 227 W CB 0.497 29.785 29.460 -0.286 0.000 1.433 227 W HN 0.154 nan 8.180 nan 0.000 0.562 228 K N 0.616 120.976 120.400 -0.066 0.000 2.556 228 K HA 0.821 5.142 4.320 0.001 0.000 0.289 228 K C -1.725 174.983 176.600 0.179 0.000 1.040 228 K CA -0.752 55.532 56.287 -0.005 0.000 0.894 228 K CB 2.772 35.181 32.500 -0.151 0.000 1.547 228 K HN 0.588 nan 8.250 nan 0.000 0.417 229 F N -1.497 118.555 119.950 0.170 0.000 2.686 229 F HA 0.765 5.294 4.527 0.003 0.000 0.311 229 F C -1.401 174.563 175.800 0.274 0.000 1.128 229 F CA -0.514 57.689 58.000 0.339 0.000 0.946 229 F CB 1.836 41.238 39.000 0.669 0.000 1.336 229 F HN 0.873 nan 8.300 nan 0.000 0.457 230 S N 0.536 116.510 115.700 0.456 0.000 2.615 230 S HA 0.536 5.006 4.470 0.001 0.000 0.269 230 S C -1.555 173.317 174.600 0.453 0.000 1.161 230 S CA -0.943 57.425 58.200 0.280 0.000 0.817 230 S CB 1.646 64.921 63.200 0.124 0.000 1.131 230 S HN 1.129 nan 8.310 nan 0.000 0.467 231 Q N 0.784 120.762 119.800 0.296 0.000 2.293 231 Q HA 0.605 4.946 4.340 0.001 0.000 0.251 231 Q C 0.118 176.213 176.000 0.158 0.000 0.930 231 Q CA 0.168 56.108 55.803 0.229 0.000 0.893 231 Q CB 0.813 29.631 28.738 0.132 0.000 1.215 231 Q HN 0.996 nan 8.270 nan 0.000 0.425 247 G N -0.126 108.698 108.800 0.039 0.000 3.329 247 G HA2 0.633 4.593 3.960 0.001 0.000 0.180 247 G HA3 0.633 4.593 3.960 0.001 0.000 0.180 247 G C -0.656 174.306 174.900 0.104 0.000 1.640 247 G CA 0.062 45.210 45.100 0.079 0.000 1.018 247 G HN 0.395 nan 8.290 nan 0.000 0.581 248 W N -1.504 119.631 121.300 -0.275 0.000 2.988 248 W HA 0.684 5.343 4.660 -0.001 0.000 0.355 248 W C -1.843 174.439 176.519 -0.395 0.000 1.233 248 W CA -1.009 56.118 57.345 -0.364 0.000 1.176 248 W CB 0.165 29.595 29.460 -0.051 0.000 1.477 248 W HN 0.560 nan 8.180 nan 0.000 0.582 249 H N -0.553 118.666 119.070 0.248 0.000 2.895 249 H HA 0.575 5.132 4.556 0.002 0.000 0.373 249 H C -1.890 173.606 175.328 0.281 0.000 1.174 249 H CA -0.383 55.705 56.048 0.067 0.000 1.144 249 H CB 3.184 33.006 29.762 0.101 0.000 1.793 249 H HN 0.520 nan 8.280 nan 0.000 0.551 250 W N 2.242 123.585 121.300 0.071 0.000 3.022 250 W HA 0.430 5.094 4.660 0.005 0.000 0.335 250 W C -1.734 174.839 176.519 0.090 0.000 1.133 250 W CA -0.549 56.888 57.345 0.154 0.000 1.219 250 W CB 1.901 31.352 29.460 -0.016 0.000 1.409 250 W HN 0.598 nan 8.180 nan 0.000 0.507 251 Q N 4.955 124.428 119.800 -0.545 0.000 2.331 251 Q HA 0.580 4.921 4.340 0.001 0.000 0.272 251 Q C -1.852 173.542 176.000 -1.011 0.000 1.062 251 Q CA -0.667 54.785 55.803 -0.586 0.000 0.806 251 Q CB 2.200 30.787 28.738 -0.253 0.000 1.312 251 Q HN 0.633 nan 8.270 nan 0.000 0.431 252 C N 4.216 123.004 119.300 -0.852 0.000 2.455 252 C HA 0.797 5.257 4.460 0.001 0.000 0.321 252 C C 1.030 175.842 174.990 -0.296 0.000 1.102 252 C CA 0.856 59.515 59.018 -0.598 0.000 1.413 252 C CB -0.581 26.634 27.740 -0.875 0.000 1.952 252 C HN 1.146 nan 8.230 nan 0.000 0.428 253 G N 5.432 114.142 108.800 -0.151 0.000 2.634 253 G HA2 -0.287 3.673 3.960 0.001 0.000 0.318 253 G HA3 -0.287 3.673 3.960 0.001 0.000 0.318 253 G C 0.691 175.546 174.900 -0.074 0.000 1.207 253 G CA 0.916 45.973 45.100 -0.071 0.000 0.987 253 G HN 0.782 nan 8.290 nan 0.000 0.547 254 E N 0.752 120.926 120.200 -0.043 0.000 2.474 254 E HA 0.123 4.474 4.350 0.001 0.000 0.194 254 E C 1.348 177.931 176.600 -0.027 0.000 1.041 254 E CA -0.120 56.261 56.400 -0.031 0.000 0.874 254 E CB 0.307 30.002 29.700 -0.008 0.000 0.914 254 E HN 0.298 nan 8.360 nan 0.000 0.498 255 R N 2.194 122.671 120.500 -0.037 0.000 2.347 255 R HA 0.061 4.402 4.340 0.001 0.000 0.304 255 R C -0.707 175.593 176.300 -0.000 0.000 1.072 255 R CA 0.537 56.641 56.100 0.005 0.000 0.980 255 R CB 0.256 30.587 30.300 0.052 0.000 0.986 255 R HN -0.070 nan 8.270 nan 0.000 0.448 256 Q N 4.060 123.886 119.800 0.044 0.000 2.347 256 Q HA 0.433 4.774 4.340 0.001 0.000 0.271 256 Q C -1.068 174.996 176.000 0.106 0.000 1.064 256 Q CA -0.849 54.996 55.803 0.070 0.000 0.800 256 Q CB 2.605 31.349 28.738 0.010 0.000 1.304 256 Q HN 0.452 nan 8.270 nan 0.000 0.438 257 L N 2.433 123.757 121.223 0.168 0.000 2.316 257 L HA 0.506 4.847 4.340 0.001 0.000 0.280 257 L C -0.234 176.651 176.870 0.026 0.000 1.006 257 L CA -0.477 54.397 54.840 0.056 0.000 0.836 257 L CB 1.621 43.673 42.059 -0.012 0.000 1.221 257 L HN 0.721 nan 8.230 nan 0.000 0.418 258 T N -1.506 113.066 114.554 0.030 0.000 2.932 258 T HA 0.610 4.961 4.350 0.001 0.000 0.289 258 T C 0.824 175.579 174.700 0.092 0.000 1.039 258 T CA -0.159 62.035 62.100 0.157 0.000 1.024 258 T CB 1.874 70.793 68.868 0.084 0.000 1.090 258 T HN 0.817 nan 8.240 nan 0.000 0.496 259 G N 1.117 110.037 108.800 0.199 0.000 2.356 259 G HA2 -0.198 3.763 3.960 0.001 0.000 0.296 259 G HA3 -0.198 3.763 3.960 0.001 0.000 0.296 259 G C -0.059 174.775 174.900 -0.111 0.000 1.022 259 G CA 0.211 45.325 45.100 0.024 0.000 0.961 259 G HN 0.882 nan 8.290 nan 0.000 0.510 260 L N 0.590 121.619 121.223 -0.324 0.000 2.452 260 L HA 0.355 4.696 4.340 0.001 0.000 0.267 260 L C -1.318 175.494 176.870 -0.096 0.000 1.188 260 L CA -1.993 52.614 54.840 -0.388 0.000 0.821 260 L CB 0.567 42.021 42.059 -1.008 0.000 1.102 260 L HN 0.020 nan 8.230 nan 0.000 0.470 261 P HA 0.055 nan 4.420 nan 0.000 0.275 261 P C -0.645 176.877 177.300 0.369 0.000 1.227 261 P CA -0.272 62.924 63.100 0.161 0.000 0.781 261 P CB 0.729 32.486 31.700 0.095 0.000 0.906 262 V N 6.135 126.217 119.914 0.280 0.000 2.446 262 V HA 0.120 4.241 4.120 0.001 0.000 0.276 262 V C -1.226 174.909 176.094 0.067 0.000 1.030 262 V CA -0.788 61.605 62.300 0.154 0.000 1.033 262 V CB -0.045 31.815 31.823 0.063 0.000 0.993 262 V HN 0.637 nan 8.190 nan 0.000 0.477 263 P HA 0.266 nan 4.420 nan 0.000 0.278 263 P C -0.269 177.014 177.300 -0.028 0.000 1.258 263 P CA -0.765 62.336 63.100 0.002 0.000 0.811 263 P CB 0.985 32.675 31.700 -0.016 0.000 1.063 264 N N 0.158 118.859 118.700 0.002 0.000 2.652 264 N HA 0.157 4.898 4.740 0.001 0.000 0.259 264 N C 0.092 175.609 175.510 0.012 0.000 1.240 264 N CA 0.182 53.246 53.050 0.023 0.000 0.951 264 N CB -0.088 38.422 38.487 0.039 0.000 1.281 264 N HN 0.286 nan 8.380 nan 0.000 0.507 265 V N -2.794 117.098 119.914 -0.037 0.000 3.181 265 V HA 0.661 4.782 4.120 0.001 0.000 0.308 265 V C -2.884 173.137 176.094 -0.121 0.000 1.214 265 V CA -2.512 59.750 62.300 -0.063 0.000 1.053 265 V CB 1.838 33.615 31.823 -0.077 0.000 1.069 265 V HN -0.188 nan 8.190 nan 0.000 0.441 266 P HA 0.277 nan 4.420 nan 0.000 0.271 266 P C 0.571 177.705 177.300 -0.276 0.000 1.216 266 P CA -0.170 62.805 63.100 -0.207 0.000 0.771 266 P CB 0.769 32.172 31.700 -0.495 0.000 0.864 267 L N 3.865 124.901 121.223 -0.311 0.000 2.079 267 L HA -0.222 4.118 4.340 0.001 0.000 0.210 267 L C 2.246 178.658 176.870 -0.763 0.000 1.081 267 L CA 2.181 56.641 54.840 -0.634 0.000 0.752 267 L CB -1.561 40.192 42.059 -0.510 0.000 0.896 267 L HN 0.459 nan 8.230 nan 0.000 0.433 268 A N -0.736 121.841 122.820 -0.404 0.000 1.933 268 A HA -0.213 4.108 4.320 0.001 0.000 0.218 268 A C 2.046 179.537 177.584 -0.156 0.000 1.175 268 A CA 1.912 53.809 52.037 -0.232 0.000 0.628 268 A CB -0.559 18.509 19.000 0.115 0.000 0.814 268 A HN 0.562 nan 8.150 nan 0.000 0.444 269 N N 0.290 118.887 118.700 -0.172 0.000 2.300 269 N HA 0.011 4.752 4.740 0.001 0.000 0.179 269 N C 1.843 177.272 175.510 -0.134 0.000 1.016 269 N CA 1.320 54.307 53.050 -0.104 0.000 0.876 269 N CB -0.603 37.819 38.487 -0.108 0.000 0.979 269 N HN 0.447 nan 8.380 nan 0.000 0.432 270 A N 1.257 123.942 122.820 -0.225 0.000 1.902 270 A HA 0.001 4.322 4.320 0.001 0.000 0.217 270 A C 2.375 179.892 177.584 -0.112 0.000 1.181 270 A CA 1.911 53.844 52.037 -0.174 0.000 0.623 270 A CB -0.819 18.048 19.000 -0.223 0.000 0.818 270 A HN 0.300 nan 8.150 nan 0.000 0.443 271 A N -0.946 121.774 122.820 -0.166 0.000 1.877 271 A HA -0.116 4.205 4.320 0.001 0.000 0.216 271 A C 2.317 179.889 177.584 -0.020 0.000 1.186 271 A CA 2.381 54.480 52.037 0.103 0.000 0.620 271 A CB -1.398 17.660 19.000 0.097 0.000 0.822 271 A HN 0.431 nan 8.150 nan 0.000 0.443 272 T N 0.368 114.924 114.554 0.003 0.000 2.720 272 T HA -0.058 4.293 4.350 0.001 0.000 0.268 272 T C 2.190 176.761 174.700 -0.216 0.000 1.037 272 T CA 1.649 63.685 62.100 -0.106 0.000 1.144 272 T CB -0.485 68.454 68.868 0.119 0.000 0.864 272 T HN 0.619 nan 8.240 nan 0.000 0.444 273 A N 1.422 124.142 122.820 -0.168 0.000 1.877 273 A HA -0.014 4.306 4.320 0.001 0.000 0.216 273 A C 2.319 179.718 177.584 -0.310 0.000 1.186 273 A CA 1.228 53.147 52.037 -0.197 0.000 0.620 273 A CB -0.889 18.028 19.000 -0.138 0.000 0.822 273 A HN 0.478 nan 8.150 nan 0.000 0.443 274 L N -0.873 120.097 121.223 -0.422 0.000 2.079 274 L HA -0.235 4.106 4.340 0.001 0.000 0.210 274 L C 3.102 179.575 176.870 -0.662 0.000 1.081 274 L CA 1.113 55.520 54.840 -0.722 0.000 0.752 274 L CB -0.697 40.542 42.059 -1.367 0.000 0.896 274 L HN 0.484 nan 8.230 nan 0.000 0.433 275 A N -0.226 122.302 122.820 -0.486 0.000 1.902 275 A HA -0.149 4.172 4.320 0.001 0.000 0.217 275 A C 2.353 179.850 177.584 -0.145 0.000 1.181 275 A CA 1.694 53.540 52.037 -0.319 0.000 0.623 275 A CB -0.779 17.621 19.000 -1.000 0.000 0.818 275 A HN 0.189 nan 8.150 nan 0.000 0.443 276 V N 0.088 119.856 119.914 -0.243 0.000 2.287 276 V HA -0.280 3.841 4.120 0.001 0.000 0.248 276 V C 2.590 178.474 176.094 -0.350 0.000 1.053 276 V CA 2.117 64.239 62.300 -0.295 0.000 1.027 276 V CB -0.729 30.828 31.823 -0.443 0.000 0.646 276 V HN 0.578 nan 8.190 nan 0.000 0.447 277 L N -0.879 120.150 121.223 -0.324 0.000 2.056 277 L HA -0.188 4.153 4.340 0.001 0.000 0.207 277 L C 2.555 179.321 176.870 -0.172 0.000 1.078 277 L CA 1.964 56.666 54.840 -0.231 0.000 0.749 277 L CB -0.820 41.117 42.059 -0.204 0.000 0.901 277 L HN 0.456 nan 8.230 nan 0.000 0.433 278 H N -0.290 118.595 119.070 -0.308 0.000 2.265 278 H HA -0.257 4.299 4.556 0.001 0.000 0.295 278 H C 2.013 177.137 175.328 -0.341 0.000 1.084 278 H CA 2.237 58.086 56.048 -0.332 0.000 1.261 278 H CB -0.352 29.184 29.762 -0.377 0.000 1.360 278 H HN 0.264 nan 8.280 nan 0.000 0.487 279 Y N 0.156 120.373 120.300 -0.139 0.000 2.509 279 Y HA -0.121 4.430 4.550 0.002 0.000 0.293 279 Y C 2.874 178.702 175.900 -0.121 0.000 1.133 279 Y CA 0.772 58.760 58.100 -0.186 0.000 1.283 279 Y CB -0.099 38.291 38.460 -0.118 0.000 1.001 279 Y HN 0.399 nan 8.280 nan 0.000 0.555 280 S N -0.056 115.651 115.700 0.013 0.000 2.474 280 S HA -0.192 4.279 4.470 0.001 0.000 0.235 280 S C 0.846 175.469 174.600 0.039 0.000 0.997 280 S CA 0.933 59.187 58.200 0.090 0.000 0.949 280 S CB -0.379 62.943 63.200 0.203 0.000 0.766 280 S HN 0.590 nan 8.310 nan 0.000 0.517 281 E N -0.018 120.137 120.200 -0.075 0.000 2.971 281 E HA -0.171 4.180 4.350 0.001 0.000 0.278 281 E C -0.651 175.922 176.600 -0.046 0.000 1.009 281 E CA 0.523 56.863 56.400 -0.100 0.000 0.862 281 E CB -2.129 27.531 29.700 -0.066 0.000 1.436 281 E HN 0.605 nan 8.360 nan 0.000 0.434 282 L N 2.020 123.237 121.223 -0.011 0.000 2.416 282 L HA 0.190 4.530 4.340 0.001 0.000 0.272 282 L C -1.487 175.365 176.870 -0.029 0.000 1.161 282 L CA -1.503 53.338 54.840 0.001 0.000 0.845 282 L CB 0.041 42.127 42.059 0.045 0.000 1.119 282 L HN -0.139 nan 8.230 nan 0.000 0.464 283 P HA 0.313 nan 4.420 nan 0.000 0.281 283 P C -1.094 176.187 177.300 -0.033 0.000 1.286 283 P CA -0.035 63.044 63.100 -0.035 0.000 0.772 283 P CB 0.763 32.446 31.700 -0.029 0.000 0.862 284 L N 1.937 123.136 121.223 -0.041 0.000 2.422 284 L HA 0.393 4.734 4.340 0.001 0.000 0.264 284 L C 0.678 177.520 176.870 -0.045 0.000 0.984 284 L CA -0.798 54.017 54.840 -0.043 0.000 0.819 284 L CB 2.312 44.339 42.059 -0.053 0.000 1.330 284 L HN 0.323 nan 8.230 nan 0.000 0.410 285 S N -1.099 114.577 115.700 -0.040 0.000 2.632 285 S HA 0.120 4.591 4.470 0.001 0.000 0.267 285 S C 0.535 175.107 174.600 -0.046 0.000 1.276 285 S CA -0.360 57.817 58.200 -0.038 0.000 0.998 285 S CB 1.655 64.837 63.200 -0.030 0.000 0.953 285 S HN 0.770 nan 8.310 nan 0.000 0.547 286 D N 0.349 120.724 120.400 -0.042 0.000 2.123 286 D HA -0.215 4.426 4.640 0.001 0.000 0.196 286 D C 1.835 178.108 176.300 -0.045 0.000 0.992 286 D CA 1.874 55.845 54.000 -0.048 0.000 0.833 286 D CB -0.161 40.616 40.800 -0.037 0.000 0.954 286 D HN 0.824 nan 8.370 nan 0.000 0.455 287 E N -0.248 119.931 120.200 -0.035 0.000 2.106 287 E HA -0.173 4.178 4.350 0.001 0.000 0.192 287 E C 2.020 178.602 176.600 -0.030 0.000 0.984 287 E CA 0.981 57.364 56.400 -0.028 0.000 0.806 287 E CB -0.219 29.468 29.700 -0.021 0.000 0.750 287 E HN 0.280 nan 8.360 nan 0.000 0.458 288 A N 1.398 124.198 122.820 -0.033 0.000 1.883 288 A HA -0.167 4.154 4.320 0.001 0.000 0.217 288 A C 2.208 179.766 177.584 -0.043 0.000 1.186 288 A CA 1.555 53.572 52.037 -0.034 0.000 0.624 288 A CB -0.668 18.311 19.000 -0.035 0.000 0.822 288 A HN 0.360 nan 8.150 nan 0.000 0.444 289 I N -0.964 119.569 120.570 -0.061 0.000 2.179 289 I HA -0.255 3.916 4.170 0.001 0.000 0.242 289 I C 2.768 178.847 176.117 -0.064 0.000 1.088 289 I CA 1.426 62.676 61.300 -0.083 0.000 1.357 289 I CB -0.258 37.669 38.000 -0.123 0.000 1.051 289 I HN 0.267 nan 8.210 nan 0.000 0.409 290 R N 0.076 120.543 120.500 -0.054 0.000 2.115 290 R HA -0.127 4.214 4.340 0.001 0.000 0.226 290 R C 2.275 178.567 176.300 -0.012 0.000 1.100 290 R CA 1.059 57.139 56.100 -0.034 0.000 0.980 290 R CB -0.243 30.037 30.300 -0.034 0.000 0.875 290 R HN 0.481 nan 8.270 nan 0.000 0.445 291 Q N -0.364 119.427 119.800 -0.016 0.000 2.049 291 Q HA -0.045 4.296 4.340 0.001 0.000 0.198 291 Q C 2.293 178.291 176.000 -0.003 0.000 0.971 291 Q CA 1.317 57.116 55.803 -0.007 0.000 0.833 291 Q CB -0.185 28.548 28.738 -0.009 0.000 0.896 291 Q HN 0.460 nan 8.270 nan 0.000 0.434 292 G N 1.209 110.003 108.800 -0.011 0.000 2.476 292 G HA2 -0.265 3.695 3.960 0.001 0.000 0.218 292 G HA3 -0.265 3.695 3.960 0.001 0.000 0.218 292 G C 1.402 176.303 174.900 0.003 0.000 1.164 292 G CA 0.726 45.821 45.100 -0.008 0.000 0.768 292 G HN 0.179 nan 8.290 nan 0.000 0.560 293 L N -0.329 120.901 121.223 0.012 0.000 2.046 293 L HA -0.106 4.234 4.340 0.001 0.000 0.208 293 L C 3.148 180.047 176.870 0.048 0.000 1.077 293 L CA 1.155 56.023 54.840 0.046 0.000 0.747 293 L CB -0.367 41.749 42.059 0.096 0.000 0.896 293 L HN 0.295 nan 8.230 nan 0.000 0.432 294 Q N -0.738 119.085 119.800 0.038 0.000 2.224 294 Q HA -0.118 4.223 4.340 0.001 0.000 0.203 294 Q C 2.221 178.235 176.000 0.024 0.000 0.970 294 Q CA 1.289 57.113 55.803 0.034 0.000 0.865 294 Q CB -0.009 28.745 28.738 0.027 0.000 0.922 294 Q HN 0.553 nan 8.270 nan 0.000 0.445 295 A N 0.813 123.643 122.820 0.017 0.000 2.044 295 A HA 0.310 4.631 4.320 0.001 0.000 0.213 295 A C 1.124 178.715 177.584 0.012 0.000 1.169 295 A CA 0.349 52.394 52.037 0.013 0.000 0.724 295 A CB -0.060 18.945 19.000 0.008 0.000 0.840 295 A HN 0.276 nan 8.150 nan 0.000 0.463 296 A N 0.877 123.703 122.820 0.010 0.000 2.548 296 A HA 0.482 4.803 4.320 0.001 0.000 0.247 296 A C 0.591 178.178 177.584 0.006 0.000 1.067 296 A CA 0.831 52.871 52.037 0.005 0.000 0.757 296 A CB -0.526 18.474 19.000 -0.002 0.000 0.996 296 A HN 1.590 nan 8.150 nan 0.000 0.504 297 S N 1.179 116.883 115.700 0.007 0.000 2.627 297 S HA 0.667 5.138 4.470 0.001 0.000 0.268 297 S C -1.541 173.063 174.600 0.007 0.000 1.130 297 S CA -0.772 57.433 58.200 0.008 0.000 0.819 297 S CB 0.621 63.828 63.200 0.012 0.000 1.100 297 S HN 1.229 nan 8.310 nan 0.000 0.465 298 L N 1.190 122.415 121.223 0.004 0.000 2.482 298 L HA 0.741 5.082 4.340 0.001 0.000 0.263 298 L C -2.724 174.134 176.870 -0.020 0.000 0.957 298 L CA -1.585 53.255 54.840 0.000 0.000 0.836 298 L CB 1.928 43.991 42.059 0.008 0.000 1.324 298 L HN 0.652 nan 8.230 nan 0.000 0.406 299 P HA 0.312 nan 4.420 nan 0.000 0.265 299 P C 0.636 177.864 177.300 -0.120 0.000 1.193 299 P CA 0.644 63.703 63.100 -0.069 0.000 0.765 299 P CB 0.618 32.280 31.700 -0.064 0.000 0.823 300 G N 1.793 110.508 108.800 -0.142 0.000 2.159 300 G HA2 -0.264 3.697 3.960 0.001 0.000 0.256 300 G HA3 -0.264 3.697 3.960 0.001 0.000 0.256 300 G C 0.074 174.891 174.900 -0.138 0.000 0.977 300 G CA -0.271 44.712 45.100 -0.196 0.000 0.652 300 G HN 0.555 nan 8.290 nan 0.000 0.531 301 R N -1.104 119.361 120.500 -0.060 0.000 2.310 301 R HA 0.588 4.929 4.340 0.001 0.000 0.316 301 R C 0.329 176.709 176.300 0.133 0.000 1.004 301 R CA -1.289 54.823 56.100 0.019 0.000 0.900 301 R CB -0.326 29.978 30.300 0.007 0.000 1.152 301 R HN 0.506 nan 8.270 nan 0.000 0.513 302 F N 1.057 120.999 119.950 -0.013 0.000 2.783 302 F HA -0.314 4.213 4.527 0.000 0.000 0.222 302 F C -0.051 175.735 175.800 -0.024 0.000 1.028 302 F CA 1.001 59.002 58.000 0.001 0.000 0.862 302 F CB -0.282 38.751 39.000 0.055 0.000 0.744 302 F HN 0.535 nan 8.300 nan 0.000 0.850 303 Q N 1.678 121.394 119.800 -0.139 0.000 2.331 303 Q HA 0.462 4.803 4.340 0.001 0.000 0.257 303 Q C -0.634 175.242 176.000 -0.206 0.000 0.957 303 Q CA -0.657 55.072 55.803 -0.124 0.000 0.923 303 Q CB 1.156 29.830 28.738 -0.107 0.000 1.212 303 Q HN 0.206 nan 8.270 nan 0.000 0.443 304 V N 5.824 125.639 119.914 -0.166 0.000 2.397 304 V HA 0.003 4.124 4.120 0.001 0.000 0.262 304 V C 0.806 176.843 176.094 -0.095 0.000 1.047 304 V CA 0.122 62.328 62.300 -0.157 0.000 1.003 304 V CB 1.046 32.809 31.823 -0.099 0.000 1.037 304 V HN 0.767 nan 8.190 nan 0.000 0.480 305 V N 3.849 123.708 119.914 -0.092 0.000 3.590 305 V HA 0.185 4.306 4.120 0.001 0.000 0.265 305 V C 0.794 176.878 176.094 -0.018 0.000 1.239 305 V CA 1.151 63.419 62.300 -0.054 0.000 1.117 305 V CB 0.714 32.498 31.823 -0.064 0.000 0.818 305 V HN 0.858 nan 8.190 nan 0.000 0.451 306 S N -0.887 114.799 115.700 -0.023 0.000 2.586 306 S HA 0.440 4.911 4.470 0.001 0.000 0.277 306 S C -1.639 172.949 174.600 -0.020 0.000 1.131 306 S CA -0.719 57.477 58.200 -0.007 0.000 0.848 306 S CB 1.733 64.946 63.200 0.021 0.000 1.091 306 S HN 0.363 nan 8.310 nan 0.000 0.453 307 E N 1.249 121.440 120.200 -0.014 0.000 2.299 307 E HA 0.588 4.939 4.350 0.001 0.000 0.265 307 E C -0.369 176.221 176.600 -0.016 0.000 0.911 307 E CA -0.298 56.091 56.400 -0.017 0.000 0.789 307 E CB 1.405 31.098 29.700 -0.011 0.000 1.246 307 E HN 1.049 nan 8.360 nan 0.000 0.427 308 Q N -0.043 119.746 119.800 -0.018 0.000 2.437 308 Q HA -0.139 4.202 4.340 0.001 0.000 0.354 308 Q C -2.507 173.479 176.000 -0.023 0.000 1.402 308 Q CA 1.028 56.820 55.803 -0.019 0.000 1.020 308 Q CB -2.373 26.357 28.738 -0.014 0.000 1.220 308 Q HN 0.245 nan 8.270 nan 0.000 0.368 309 P HA 0.619 nan 4.420 nan 0.000 0.286 309 P C -0.217 177.063 177.300 -0.033 0.000 1.261 309 P CA -1.031 62.048 63.100 -0.034 0.000 0.821 309 P CB 1.143 32.816 31.700 -0.046 0.000 1.013 310 L N 3.339 124.540 121.223 -0.038 0.000 2.513 310 L HA 0.118 4.459 4.340 0.001 0.000 0.272 310 L C -0.246 176.587 176.870 -0.061 0.000 1.187 310 L CA 0.058 54.868 54.840 -0.050 0.000 0.895 310 L CB -0.658 41.369 42.059 -0.054 0.000 1.147 310 L HN 0.262 nan 8.230 nan 0.000 0.483 311 L N 7.060 128.247 121.223 -0.060 0.000 2.333 311 L HA 0.649 4.990 4.340 0.001 0.000 0.280 311 L C -0.956 175.836 176.870 -0.131 0.000 1.004 311 L CA -0.061 54.749 54.840 -0.049 0.000 0.820 311 L CB 1.218 43.305 42.059 0.047 0.000 1.247 311 L HN 0.504 nan 8.230 nan 0.000 0.416 312 I N 5.996 126.453 120.570 -0.188 0.000 2.498 312 I HA 0.394 4.565 4.170 0.001 0.000 0.290 312 I C -0.963 175.000 176.117 -0.256 0.000 1.032 312 I CA -0.629 60.480 61.300 -0.319 0.000 1.073 312 I CB 1.944 39.616 38.000 -0.545 0.000 1.251 312 I HN 0.465 nan 8.210 nan 0.000 0.426 313 L N 5.168 126.242 121.223 -0.248 0.000 2.296 313 L HA 0.593 4.934 4.340 0.001 0.000 0.286 313 L C -1.021 175.749 176.870 -0.166 0.000 1.023 313 L CA -0.335 54.382 54.840 -0.205 0.000 0.812 313 L CB 1.434 43.363 42.059 -0.217 0.000 1.223 313 L HN 0.541 nan 8.230 nan 0.000 0.421 314 D N 1.084 121.418 120.400 -0.111 0.000 2.936 314 D HA 0.261 4.902 4.640 0.001 0.000 0.238 314 D C 0.335 176.607 176.300 -0.047 0.000 1.248 314 D CA -0.587 53.390 54.000 -0.038 0.000 0.903 314 D CB 2.283 43.136 40.800 0.088 0.000 1.544 314 D HN 0.283 nan 8.370 nan 0.000 0.543 315 V N 1.766 121.626 119.914 -0.090 0.000 3.636 315 V HA 0.469 4.590 4.120 0.001 0.000 0.279 315 V C 0.919 177.020 176.094 0.012 0.000 1.263 315 V CA 0.129 62.382 62.300 -0.079 0.000 1.182 315 V CB -1.062 30.601 31.823 -0.265 0.000 0.955 315 V HN 0.629 nan 8.190 nan 0.000 0.443 316 A N 2.340 125.154 122.820 -0.011 0.000 2.591 316 A HA 0.125 4.445 4.320 0.001 0.000 0.244 316 A C 0.952 178.551 177.584 0.025 0.000 1.031 316 A CA 1.198 53.209 52.037 -0.043 0.000 0.767 316 A CB -0.664 18.365 19.000 0.049 0.000 0.942 316 A HN 1.106 nan 8.150 nan 0.000 0.514 317 H N 0.703 119.819 119.070 0.076 0.000 3.043 317 H HA 0.299 4.855 4.556 0.001 0.000 0.244 317 H C -0.523 174.805 175.328 0.001 0.000 1.199 317 H CA -0.050 56.023 56.048 0.042 0.000 0.956 317 H CB -0.434 29.358 29.762 0.050 0.000 2.305 317 H HN 0.789 nan 8.280 nan 0.000 0.665 318 N N -0.887 117.874 118.700 0.102 0.000 3.020 318 N HA 0.274 5.015 4.740 0.001 0.000 0.248 318 N C -2.792 172.760 175.510 0.071 0.000 1.480 318 N CA -1.675 51.423 53.050 0.079 0.000 0.874 318 N CB 1.423 39.971 38.487 0.101 0.000 1.433 318 N HN -0.326 nan 8.380 nan 0.000 0.530 319 P HA -0.137 nan 4.420 nan 0.000 0.219 319 P C 0.825 178.185 177.300 0.101 0.000 1.150 319 P CA 1.115 64.260 63.100 0.075 0.000 0.814 319 P CB -0.065 31.672 31.700 0.063 0.000 0.787 320 H N 0.106 119.196 119.070 0.034 0.000 2.321 320 H HA -0.075 4.481 4.556 0.001 0.000 0.300 320 H C 1.705 177.068 175.328 0.058 0.000 1.087 320 H CA 1.872 57.946 56.048 0.043 0.000 1.319 320 H CB -0.260 29.523 29.762 0.034 0.000 1.379 320 H HN -0.042 nan 8.280 nan 0.000 0.501 321 A N 1.151 124.020 122.820 0.083 0.000 1.930 321 A HA -0.057 4.264 4.320 0.001 0.000 0.217 321 A C 2.714 180.346 177.584 0.079 0.000 1.175 321 A CA 1.606 53.668 52.037 0.042 0.000 0.627 321 A CB -0.997 17.999 19.000 -0.006 0.000 0.815 321 A HN 0.574 nan 8.150 nan 0.000 0.443 322 A N 0.230 123.087 122.820 0.062 0.000 1.908 322 A HA -0.210 4.110 4.320 0.001 0.000 0.218 322 A C 2.184 179.790 177.584 0.037 0.000 1.181 322 A CA 2.316 54.394 52.037 0.067 0.000 0.627 322 A CB -0.474 18.571 19.000 0.075 0.000 0.818 322 A HN 0.544 nan 8.150 nan 0.000 0.445 323 R N -1.289 119.219 120.500 0.012 0.000 2.081 323 R HA -0.187 4.154 4.340 0.001 0.000 0.235 323 R C 1.997 178.267 176.300 -0.050 0.000 1.131 323 R CA 2.191 58.277 56.100 -0.023 0.000 0.960 323 R CB -1.063 29.213 30.300 -0.039 0.000 0.856 323 R HN 0.600 nan 8.270 nan 0.000 0.436 324 Y N 0.319 120.526 120.300 -0.155 0.000 2.181 324 Y HA -0.167 4.383 4.550 0.001 0.000 0.288 324 Y C 1.884 177.709 175.900 -0.125 0.000 1.146 324 Y CA 1.923 59.928 58.100 -0.158 0.000 1.164 324 Y CB -0.334 38.017 38.460 -0.182 0.000 0.982 324 Y HN 0.146 nan 8.280 nan 0.000 0.515 325 L N -0.817 120.345 121.223 -0.102 0.000 2.017 325 L HA -0.226 4.115 4.340 0.001 0.000 0.208 325 L C 2.344 179.123 176.870 -0.151 0.000 1.073 325 L CA 1.605 56.383 54.840 -0.104 0.000 0.745 325 L CB -0.568 41.546 42.059 0.091 0.000 0.894 325 L HN 0.220 nan 8.230 nan 0.000 0.432 326 V N 0.339 120.195 119.914 -0.097 0.000 2.332 326 V HA -0.309 3.812 4.120 0.001 0.000 0.248 326 V C 2.217 178.227 176.094 -0.140 0.000 1.055 326 V CA 1.942 64.193 62.300 -0.081 0.000 1.038 326 V CB -0.754 31.046 31.823 -0.039 0.000 0.651 326 V HN 0.531 nan 8.190 nan 0.000 0.450 327 N N -0.046 118.525 118.700 -0.215 0.000 2.188 327 N HA -0.112 4.629 4.740 0.001 0.000 0.184 327 N C 1.956 177.277 175.510 -0.315 0.000 1.018 327 N CA 0.968 53.877 53.050 -0.234 0.000 0.858 327 N CB -0.369 37.979 38.487 -0.232 0.000 0.989 327 N HN 0.317 nan 8.380 nan 0.000 0.426 328 R N 0.904 121.088 120.500 -0.526 0.000 2.081 328 R HA 0.048 4.389 4.340 0.001 0.000 0.235 328 R C 2.279 178.435 176.300 -0.240 0.000 1.131 328 R CA 0.494 56.239 56.100 -0.591 0.000 0.960 328 R CB -0.985 28.627 30.300 -1.147 0.000 0.856 328 R HN 0.321 nan 8.270 nan 0.000 0.436 329 L N 0.217 121.387 121.223 -0.088 0.000 2.141 329 L HA -0.097 4.244 4.340 0.001 0.000 0.209 329 L C 2.601 179.462 176.870 -0.014 0.000 1.094 329 L CA 1.109 55.973 54.840 0.040 0.000 0.763 329 L CB -0.679 41.398 42.059 0.029 0.000 0.908 329 L HN 0.116 nan 8.230 nan 0.000 0.437 330 A N 0.777 123.561 122.820 -0.060 0.000 1.869 330 A HA -0.289 4.032 4.320 0.001 0.000 0.218 330 A C 2.107 179.665 177.584 -0.043 0.000 1.203 330 A CA 2.188 54.193 52.037 -0.054 0.000 0.638 330 A CB -0.756 18.203 19.000 -0.070 0.000 0.831 330 A HN 0.643 nan 8.150 nan 0.000 0.450 331 Q N 0.167 119.930 119.800 -0.063 0.000 2.329 331 Q HA 0.192 4.533 4.340 0.001 0.000 0.208 331 Q C 0.367 176.357 176.000 -0.016 0.000 0.934 331 Q CA 0.921 56.697 55.803 -0.046 0.000 0.951 331 Q CB -0.147 28.550 28.738 -0.069 0.000 1.017 331 Q HN 0.763 nan 8.270 nan 0.000 0.490 332 V N -4.768 115.151 119.914 0.008 0.000 3.111 332 V HA 0.421 4.542 4.120 0.001 0.000 0.343 332 V C 1.082 177.186 176.094 0.017 0.000 1.417 332 V CA -0.130 62.189 62.300 0.032 0.000 1.142 332 V CB -1.034 30.841 31.823 0.087 0.000 1.114 332 V HN 0.369 nan 8.190 nan 0.000 0.520 342 G N 0.480 109.275 108.800 -0.009 0.000 2.801 342 G HA2 0.412 4.373 3.960 0.001 0.000 0.648 342 G HA3 0.412 4.373 3.960 0.001 0.000 0.648 342 G C -1.202 173.688 174.900 -0.016 0.000 1.415 342 G CA -0.025 45.068 45.100 -0.012 0.000 0.887 342 G HN 0.553 nan 8.290 nan 0.000 0.627 343 K N 0.087 120.476 120.400 -0.018 0.000 2.221 343 K HA 0.751 5.072 4.320 0.001 0.000 0.243 343 K C -0.338 176.240 176.600 -0.038 0.000 0.968 343 K CA -0.991 55.282 56.287 -0.024 0.000 0.846 343 K CB 2.795 35.288 32.500 -0.012 0.000 1.141 343 K HN 0.317 nan 8.250 nan 0.000 0.434 344 V N 2.961 122.839 119.914 -0.060 0.000 2.347 344 V HA 0.342 4.463 4.120 0.001 0.000 0.280 344 V C -0.454 175.571 176.094 -0.115 0.000 1.021 344 V CA -0.704 61.541 62.300 -0.091 0.000 0.847 344 V CB 0.983 32.740 31.823 -0.111 0.000 0.990 344 V HN 0.623 nan 8.190 nan 0.000 0.444 345 R N 3.437 123.887 120.500 -0.083 0.000 2.343 345 R HA 0.782 5.123 4.340 0.001 0.000 0.320 345 R C -0.341 175.907 176.300 -0.087 0.000 0.956 345 R CA -0.325 55.763 56.100 -0.020 0.000 0.836 345 R CB 1.979 32.297 30.300 0.029 0.000 1.151 345 R HN 0.771 nan 8.270 nan 0.000 0.450 346 A N 3.029 125.792 122.820 -0.096 0.000 2.288 346 A HA 0.480 4.801 4.320 0.001 0.000 0.320 346 A C -0.464 177.206 177.584 0.143 0.000 1.217 346 A CA -0.653 51.336 52.037 -0.081 0.000 0.840 346 A CB 1.193 19.988 19.000 -0.343 0.000 1.179 346 A HN 0.478 nan 8.150 nan 0.000 0.504 347 V N 3.613 123.579 119.914 0.087 0.000 2.333 347 V HA 0.430 4.551 4.120 0.001 0.000 0.274 347 V C -0.186 176.004 176.094 0.161 0.000 1.028 347 V CA -0.330 62.047 62.300 0.129 0.000 0.851 347 V CB 1.010 32.855 31.823 0.038 0.000 1.000 347 V HN 0.708 nan 8.190 nan 0.000 0.456 348 V N 4.796 124.857 119.914 0.244 0.000 2.656 348 V HA 0.999 5.120 4.120 0.001 0.000 0.307 348 V C 0.149 176.345 176.094 0.169 0.000 1.051 348 V CA 0.152 62.591 62.300 0.231 0.000 0.893 348 V CB 1.994 34.028 31.823 0.350 0.000 0.999 348 V HN 0.921 nan 8.190 nan 0.000 0.426 349 G N 6.136 115.014 108.800 0.130 0.000 2.731 349 G HA2 0.720 4.681 3.960 0.001 0.000 0.298 349 G HA3 0.720 4.681 3.960 0.001 0.000 0.298 349 G C -1.395 173.563 174.900 0.097 0.000 1.424 349 G CA -0.682 44.480 45.100 0.103 0.000 1.029 349 G HN 0.692 nan 8.290 nan 0.000 0.518 350 M N 0.905 120.542 119.600 0.061 0.000 2.667 350 M HA 0.511 4.992 4.480 0.001 0.000 0.286 350 M C -0.843 175.459 176.300 0.004 0.000 1.270 350 M CA -0.788 54.535 55.300 0.039 0.000 0.826 350 M CB 2.559 35.160 32.600 0.002 0.000 1.743 350 M HN 0.206 nan 8.290 nan 0.000 0.460 351 L N 0.218 121.427 121.223 -0.024 0.000 2.343 351 L HA 0.387 4.728 4.340 0.001 0.000 0.275 351 L C 1.121 177.939 176.870 -0.087 0.000 1.056 351 L CA -0.342 54.464 54.840 -0.057 0.000 0.804 351 L CB 1.640 43.654 42.059 -0.074 0.000 1.203 351 L HN 0.801 nan 8.230 nan 0.000 0.440 352 S N 0.430 116.087 115.700 -0.072 0.000 2.400 352 S HA -0.174 4.297 4.470 0.001 0.000 0.232 352 S C 1.119 175.659 174.600 -0.100 0.000 1.025 352 S CA 1.482 59.641 58.200 -0.068 0.000 0.993 352 S CB -0.236 62.939 63.200 -0.041 0.000 0.808 352 S HN 0.740 nan 8.310 nan 0.000 0.478 353 D N 1.274 121.601 120.400 -0.122 0.000 2.178 353 D HA -0.024 4.617 4.640 0.001 0.000 0.201 353 D C 0.818 176.871 176.300 -0.412 0.000 0.980 353 D CA 1.005 54.900 54.000 -0.176 0.000 0.842 353 D CB -0.059 40.685 40.800 -0.094 0.000 0.948 353 D HN 0.290 nan 8.370 nan 0.000 0.472 354 K N 0.963 121.142 120.400 -0.370 0.000 2.102 354 K HA 0.085 4.406 4.320 0.001 0.000 0.244 354 K C -0.008 176.420 176.600 -0.287 0.000 1.021 354 K CA -0.465 55.573 56.287 -0.414 0.000 0.913 354 K CB 0.511 32.853 32.500 -0.263 0.000 1.062 354 K HN -0.124 nan 8.250 nan 0.000 0.485 355 D N 2.088 122.341 120.400 -0.246 0.000 2.600 355 D HA 0.052 4.692 4.640 0.001 0.000 0.226 355 D C 1.104 177.311 176.300 -0.156 0.000 1.119 355 D CA 0.018 53.917 54.000 -0.169 0.000 1.051 355 D CB -0.618 40.109 40.800 -0.123 0.000 1.106 355 D HN 0.367 nan 8.370 nan 0.000 0.491 356 I N 1.168 121.617 120.570 -0.201 0.000 2.194 356 I HA -0.328 3.843 4.170 0.001 0.000 0.246 356 I C 2.246 178.150 176.117 -0.355 0.000 1.093 356 I CA 1.181 62.320 61.300 -0.268 0.000 1.355 356 I CB -0.227 37.572 38.000 -0.334 0.000 1.046 356 I HN 0.328 nan 8.210 nan 0.000 0.413 357 A N 0.960 123.559 122.820 -0.368 0.000 1.873 357 A HA -0.082 4.239 4.320 0.001 0.000 0.215 357 A C 2.459 179.975 177.584 -0.113 0.000 1.186 357 A CA 1.799 53.669 52.037 -0.278 0.000 0.616 357 A CB -1.352 17.604 19.000 -0.074 0.000 0.823 357 A HN 0.451 nan 8.150 nan 0.000 0.442 358 G N -1.069 107.686 108.800 -0.075 0.000 2.418 358 G HA2 -0.126 3.835 3.960 0.001 0.000 0.217 358 G HA3 -0.126 3.835 3.960 0.001 0.000 0.217 358 G C 1.577 176.471 174.900 -0.011 0.000 1.158 358 G CA 1.676 46.762 45.100 -0.024 0.000 0.771 358 G HN 0.432 nan 8.290 nan 0.000 0.545 359 T N 1.589 116.125 114.554 -0.030 0.000 2.643 359 T HA -0.047 4.303 4.350 0.001 0.000 0.264 359 T C 2.441 177.167 174.700 0.045 0.000 1.045 359 T CA 1.047 63.155 62.100 0.013 0.000 1.155 359 T CB -0.317 68.556 68.868 0.008 0.000 0.863 359 T HN 0.136 nan 8.240 nan 0.000 0.420 360 L N 0.905 122.112 121.223 -0.027 0.000 2.012 360 L HA -0.159 4.182 4.340 0.001 0.000 0.210 360 L C 3.123 180.027 176.870 0.058 0.000 1.073 360 L CA 1.396 56.210 54.840 -0.044 0.000 0.748 360 L CB -0.869 41.024 42.059 -0.276 0.000 0.891 360 L HN 0.268 nan 8.230 nan 0.000 0.431 361 A N -0.784 122.047 122.820 0.018 0.000 1.883 361 A HA -0.308 4.013 4.320 0.001 0.000 0.217 361 A C 2.504 180.143 177.584 0.092 0.000 1.186 361 A CA 2.080 54.150 52.037 0.054 0.000 0.624 361 A CB -1.332 17.685 19.000 0.029 0.000 0.822 361 A HN 0.603 nan 8.150 nan 0.000 0.444 362 C N -0.640 118.710 119.300 0.083 0.000 2.446 362 C HA 0.032 4.493 4.460 0.001 0.000 0.277 362 C C 2.623 177.682 174.990 0.115 0.000 1.275 362 C CA 1.050 60.117 59.018 0.082 0.000 1.727 362 C CB -1.569 26.210 27.740 0.064 0.000 2.010 362 C HN 0.585 nan 8.230 nan 0.000 0.486 363 L N 0.810 122.140 121.223 0.179 0.000 2.131 363 L HA -0.101 4.240 4.340 0.001 0.000 0.210 363 L C 2.665 179.682 176.870 0.246 0.000 1.092 363 L CA 1.554 56.526 54.840 0.220 0.000 0.759 363 L CB -0.558 41.722 42.059 0.369 0.000 0.903 363 L HN 0.311 nan 8.230 nan 0.000 0.435 364 S N -0.591 115.323 115.700 0.356 0.000 2.469 364 S HA -0.164 4.307 4.470 0.001 0.000 0.238 364 S C 1.721 176.424 174.600 0.172 0.000 0.998 364 S CA 0.778 59.200 58.200 0.370 0.000 0.957 364 S CB -0.176 63.232 63.200 0.346 0.000 0.764 364 S HN 0.444 nan 8.310 nan 0.000 0.514 365 E N 0.554 120.821 120.200 0.112 0.000 2.118 365 E HA -0.150 4.201 4.350 0.001 0.000 0.195 365 E C 2.145 178.761 176.600 0.026 0.000 0.992 365 E CA 0.952 57.387 56.400 0.058 0.000 0.804 365 E CB 0.053 29.776 29.700 0.039 0.000 0.741 365 E HN 0.169 nan 8.360 nan 0.000 0.458 366 R N -0.333 120.170 120.500 0.005 0.000 2.469 366 R HA 0.128 4.469 4.340 0.001 0.000 0.250 366 R C -0.464 175.782 176.300 -0.091 0.000 0.909 366 R CA 0.050 56.129 56.100 -0.034 0.000 1.050 366 R CB 0.869 31.147 30.300 -0.037 0.000 1.256 366 R HN -0.155 nan 8.270 nan 0.000 0.550 367 V N 2.451 122.272 119.914 -0.154 0.000 2.508 367 V HA 0.048 4.169 4.120 0.001 0.000 0.281 367 V C 0.358 176.282 176.094 -0.283 0.000 1.041 367 V CA 0.244 62.324 62.300 -0.367 0.000 1.016 367 V CB 1.460 32.747 31.823 -0.894 0.000 0.984 367 V HN 0.308 nan 8.190 nan 0.000 0.478 368 D N 2.243 122.505 120.400 -0.230 0.000 2.269 368 D HA 0.072 4.713 4.640 0.001 0.000 0.220 368 D C 0.531 176.758 176.300 -0.121 0.000 0.962 368 D CA 0.705 54.633 54.000 -0.121 0.000 0.884 368 D CB 0.660 41.423 40.800 -0.063 0.000 1.023 368 D HN 0.509 nan 8.370 nan 0.000 0.484 369 E N -0.135 119.973 120.200 -0.154 0.000 2.222 369 E HA 0.261 4.612 4.350 0.001 0.000 0.267 369 E C -1.131 175.424 176.600 -0.075 0.000 0.884 369 E CA -0.495 55.868 56.400 -0.061 0.000 0.764 369 E CB 1.880 31.604 29.700 0.040 0.000 1.169 369 E HN 0.025 nan 8.360 nan 0.000 0.413 370 W N 2.148 123.460 121.300 0.020 0.000 2.478 370 W HA 0.377 5.038 4.660 0.002 0.000 0.318 370 W C -0.446 176.096 176.519 0.039 0.000 1.062 370 W CA -0.556 56.848 57.345 0.099 0.000 1.210 370 W CB 1.020 30.516 29.460 0.060 0.000 1.325 370 W HN 0.408 nan 8.180 nan 0.000 0.496 371 Y N 2.954 123.481 120.300 0.379 0.000 2.363 371 Y HA 0.434 4.986 4.550 0.002 0.000 0.325 371 Y C -0.067 176.028 175.900 0.325 0.000 0.984 371 Y CA -1.153 57.156 58.100 0.349 0.000 1.248 371 Y CB 0.828 39.358 38.460 0.116 0.000 1.116 371 Y HN 0.129 nan 8.280 nan 0.000 0.470 372 C N 3.048 122.633 119.300 0.475 0.000 2.330 372 C HA 0.899 5.360 4.460 0.001 0.000 0.344 372 C C 0.617 175.801 174.990 0.323 0.000 1.273 372 C CA -0.491 58.717 59.018 0.317 0.000 1.879 372 C CB -0.272 27.581 27.740 0.188 0.000 2.376 372 C HN 0.909 nan 8.230 nan 0.000 0.534 373 A N 5.022 127.972 122.820 0.217 0.000 2.435 373 A HA 1.029 5.350 4.320 0.001 0.000 0.296 373 A C -2.881 174.762 177.584 0.098 0.000 1.147 373 A CA -1.294 50.846 52.037 0.172 0.000 0.775 373 A CB 1.310 20.379 19.000 0.115 0.000 1.340 373 A HN 0.635 nan 8.150 nan 0.000 0.427 374 P HA 0.617 nan 4.420 nan 0.000 0.287 374 P C -1.285 176.024 177.300 0.014 0.000 1.279 374 P CA -0.446 62.675 63.100 0.036 0.000 0.867 374 P CB 1.184 32.902 31.700 0.030 0.000 1.127 375 L N 1.413 122.647 121.223 0.018 0.000 2.307 375 L HA 0.378 4.719 4.340 0.001 0.000 0.284 375 L C 1.001 177.871 176.870 -0.000 0.000 1.023 375 L CA -0.811 54.042 54.840 0.022 0.000 0.810 375 L CB 1.063 43.131 42.059 0.015 0.000 1.231 375 L HN 0.342 nan 8.230 nan 0.000 0.423 376 E N 1.498 121.710 120.200 0.020 0.000 2.442 376 E HA 0.343 4.694 4.350 0.001 0.000 0.260 376 E C 0.534 177.108 176.600 -0.044 0.000 1.148 376 E CA 0.859 57.262 56.400 0.005 0.000 0.976 376 E CB 0.340 30.066 29.700 0.043 0.000 0.967 376 E HN 0.824 nan 8.360 nan 0.000 0.454 377 G N 1.084 109.866 108.800 -0.031 0.000 2.796 377 G HA2 -0.194 3.767 3.960 0.001 0.000 0.571 377 G HA3 -0.194 3.767 3.960 0.001 0.000 0.571 377 G C -1.961 172.914 174.900 -0.042 0.000 1.370 377 G CA -0.537 44.536 45.100 -0.045 0.000 0.856 377 G HN 0.498 nan 8.290 nan 0.000 0.538 378 P HA 0.059 nan 4.420 nan 0.000 0.214 378 P C 2.482 179.760 177.300 -0.036 0.000 1.162 378 P CA 3.155 66.237 63.100 -0.030 0.000 0.879 378 P CB -0.195 31.489 31.700 -0.027 0.000 0.786 379 R N 0.454 120.923 120.500 -0.052 0.000 2.189 379 R HA 0.132 4.473 4.340 0.001 0.000 0.218 379 R C 1.663 177.929 176.300 -0.057 0.000 1.074 379 R CA 1.239 57.307 56.100 -0.052 0.000 0.991 379 R CB -1.877 28.387 30.300 -0.060 0.000 0.883 379 R HN 0.351 nan 8.270 nan 0.000 0.457 380 G N 0.654 109.413 108.800 -0.068 0.000 2.389 380 G HA2 0.487 4.447 3.960 0.001 0.000 0.287 380 G HA3 0.487 4.447 3.960 0.001 0.000 0.287 380 G C 0.444 175.326 174.900 -0.029 0.000 1.126 380 G CA 0.191 45.256 45.100 -0.058 0.000 1.073 380 G HN 0.878 nan 8.290 nan 0.000 0.429 381 A N 3.036 125.843 122.820 -0.021 0.000 2.507 381 A HA 0.491 4.812 4.320 0.001 0.000 0.235 381 A C 1.206 178.793 177.584 0.004 0.000 1.070 381 A CA 0.423 52.454 52.037 -0.009 0.000 0.768 381 A CB 0.150 19.143 19.000 -0.011 0.000 1.011 381 A HN 1.616 nan 8.150 nan 0.000 0.502 382 S N 0.917 116.621 115.700 0.008 0.000 2.601 382 S HA 0.506 4.977 4.470 0.001 0.000 0.271 382 S C 1.233 175.846 174.600 0.023 0.000 1.305 382 S CA -0.162 58.046 58.200 0.013 0.000 1.022 382 S CB 1.339 64.544 63.200 0.007 0.000 0.940 382 S HN 1.719 nan 8.310 nan 0.000 0.525 383 A N 3.022 125.862 122.820 0.033 0.000 1.927 383 A HA 0.016 4.337 4.320 0.001 0.000 0.220 383 A C 2.168 179.767 177.584 0.025 0.000 1.185 383 A CA 2.057 54.123 52.037 0.047 0.000 0.639 383 A CB -1.821 17.218 19.000 0.065 0.000 0.820 383 A HN 1.212 nan 8.150 nan 0.000 0.451 384 G N -1.969 106.836 108.800 0.008 0.000 2.408 384 G HA2 -0.003 3.958 3.960 0.001 0.000 0.217 384 G HA3 -0.003 3.958 3.960 0.001 0.000 0.217 384 G C 1.668 176.566 174.900 -0.002 0.000 1.150 384 G CA 1.716 46.812 45.100 -0.008 0.000 0.776 384 G HN 0.871 nan 8.290 nan 0.000 0.542 385 Q N 0.432 120.239 119.800 0.012 0.000 2.226 385 Q HA 0.157 4.498 4.340 0.001 0.000 0.204 385 Q C 2.456 178.510 176.000 0.090 0.000 0.975 385 Q CA 1.387 57.211 55.803 0.035 0.000 0.866 385 Q CB -0.487 28.268 28.738 0.027 0.000 0.915 385 Q HN 0.576 nan 8.270 nan 0.000 0.440 386 L N -0.664 120.590 121.223 0.052 0.000 2.071 386 L HA 0.059 4.400 4.340 0.001 0.000 0.201 386 L C 3.084 179.971 176.870 0.028 0.000 1.076 386 L CA 0.876 55.736 54.840 0.034 0.000 0.755 386 L CB -0.631 41.421 42.059 -0.012 0.000 0.915 386 L HN 0.471 nan 8.230 nan 0.000 0.445 387 A N 0.508 123.317 122.820 -0.018 0.000 1.986 387 A HA -0.294 4.027 4.320 0.001 0.000 0.220 387 A C 2.341 179.882 177.584 -0.070 0.000 1.171 387 A CA 2.189 54.188 52.037 -0.063 0.000 0.640 387 A CB -1.010 17.963 19.000 -0.045 0.000 0.811 387 A HN 0.488 nan 8.150 nan 0.000 0.451 388 E N -0.445 119.716 120.200 -0.066 0.000 2.279 388 E HA -0.314 4.037 4.350 0.001 0.000 0.205 388 E C 1.650 178.075 176.600 -0.292 0.000 1.028 388 E CA 1.967 58.261 56.400 -0.176 0.000 0.830 388 E CB -1.238 28.324 29.700 -0.230 0.000 0.736 388 E HN 0.934 nan 8.360 nan 0.000 0.478 389 H N -1.962 117.030 119.070 -0.131 0.000 2.622 389 H HA 0.389 4.946 4.556 0.002 0.000 0.269 389 H C 0.182 175.401 175.328 -0.183 0.000 0.977 389 H CA -0.134 55.829 56.048 -0.142 0.000 1.179 389 H CB 0.690 30.357 29.762 -0.157 0.000 1.458 389 H HN 0.265 nan 8.280 nan 0.000 0.531 390 L N 1.093 122.242 121.223 -0.123 0.000 2.313 390 L HA 0.151 4.491 4.340 0.001 0.000 0.283 390 L C 1.520 178.331 176.870 -0.098 0.000 1.013 390 L CA -0.503 54.213 54.840 -0.207 0.000 0.816 390 L CB 2.619 44.414 42.059 -0.439 0.000 1.236 390 L HN -0.148 nan 8.230 nan 0.000 0.419 391 V N 1.554 121.444 119.914 -0.040 0.000 2.233 391 V HA -0.264 3.857 4.120 0.001 0.000 0.252 391 V C 1.006 177.098 176.094 -0.003 0.000 1.063 391 V CA 2.188 64.485 62.300 -0.005 0.000 1.032 391 V CB -0.496 31.346 31.823 0.033 0.000 0.645 391 V HN 0.935 nan 8.190 nan 0.000 0.446 392 S N -1.421 114.296 115.700 0.028 0.000 2.541 392 S HA 0.853 5.324 4.470 0.001 0.000 0.280 392 S C -0.793 173.844 174.600 0.062 0.000 1.112 392 S CA -0.055 58.161 58.200 0.028 0.000 0.925 392 S CB 2.414 65.636 63.200 0.036 0.000 1.067 392 S HN 1.113 nan 8.310 nan 0.000 0.479 393 A N 2.341 125.177 122.820 0.026 0.000 2.589 393 A HA 0.746 5.067 4.320 0.001 0.000 0.296 393 A C -0.772 176.815 177.584 0.005 0.000 1.062 393 A CA -0.984 51.093 52.037 0.066 0.000 0.686 393 A CB 1.284 20.318 19.000 0.056 0.000 1.282 393 A HN 0.813 nan 8.150 nan 0.000 0.404 394 R N 1.015 121.507 120.500 -0.014 0.000 2.490 394 R HA 0.418 4.758 4.340 0.001 0.000 0.280 394 R C -0.422 175.866 176.300 -0.019 0.000 1.077 394 R CA -0.107 55.944 56.100 -0.082 0.000 1.065 394 R CB 0.813 31.045 30.300 -0.112 0.000 1.003 394 R HN 0.793 nan 8.270 nan 0.000 0.470 395 Q N 1.672 121.338 119.800 -0.223 0.000 2.301 395 Q HA 0.491 4.832 4.340 0.001 0.000 0.267 395 Q C -1.089 174.636 176.000 -0.458 0.000 1.035 395 Q CA -0.518 55.203 55.803 -0.136 0.000 0.856 395 Q CB 1.873 30.554 28.738 -0.095 0.000 1.337 395 Q HN 0.359 nan 8.270 nan 0.000 0.450 396 F N -1.159 118.823 119.950 0.054 0.000 2.650 396 F HA 0.189 4.717 4.527 0.002 0.000 0.320 396 F C 1.115 176.935 175.800 0.033 0.000 1.091 396 F CA -0.599 57.434 58.000 0.055 0.000 0.962 396 F CB 1.708 40.762 39.000 0.090 0.000 1.363 396 F HN 0.653 nan 8.300 nan 0.000 0.482 397 S N -0.566 115.282 115.700 0.246 0.000 2.345 397 S HA 0.027 4.498 4.470 0.001 0.000 0.219 397 S C -0.091 174.566 174.600 0.096 0.000 1.031 397 S CA 1.213 59.489 58.200 0.127 0.000 0.984 397 S CB -0.581 62.683 63.200 0.106 0.000 0.874 397 S HN 0.688 nan 8.310 nan 0.000 0.451 398 D N -0.983 119.476 120.400 0.097 0.000 2.559 398 D HA 0.529 5.170 4.640 0.001 0.000 0.250 398 D C 0.695 176.983 176.300 -0.020 0.000 1.135 398 D CA -0.892 53.106 54.000 -0.002 0.000 0.955 398 D CB 1.173 41.950 40.800 -0.039 0.000 1.442 398 D HN -0.127 nan 8.370 nan 0.000 0.471 399 V N 0.573 120.394 119.914 -0.156 0.000 2.332 399 V HA -0.236 3.885 4.120 0.001 0.000 0.248 399 V C 2.160 178.248 176.094 -0.009 0.000 1.055 399 V CA 2.208 64.442 62.300 -0.110 0.000 1.038 399 V CB -0.868 30.827 31.823 -0.212 0.000 0.651 399 V HN 0.690 nan 8.190 nan 0.000 0.450 400 E N 0.014 120.216 120.200 0.004 0.000 2.153 400 E HA -0.199 4.152 4.350 0.001 0.000 0.194 400 E C 2.035 178.715 176.600 0.133 0.000 0.988 400 E CA 1.893 58.391 56.400 0.163 0.000 0.811 400 E CB -0.973 28.822 29.700 0.158 0.000 0.746 400 E HN 0.604 nan 8.360 nan 0.000 0.466 401 T N 1.678 116.251 114.554 0.032 0.000 2.809 401 T HA 0.082 4.433 4.350 0.001 0.000 0.260 401 T C 2.135 176.666 174.700 -0.282 0.000 1.039 401 T CA 1.440 63.524 62.100 -0.026 0.000 1.141 401 T CB -0.400 68.527 68.868 0.099 0.000 0.869 401 T HN 0.367 nan 8.240 nan 0.000 0.437 402 A N 1.190 123.718 122.820 -0.487 0.000 1.896 402 A HA -0.224 4.097 4.320 0.001 0.000 0.220 402 A C 2.070 179.347 177.584 -0.512 0.000 1.206 402 A CA 2.240 53.713 52.037 -0.939 0.000 0.647 402 A CB -1.331 17.421 19.000 -0.413 0.000 0.828 402 A HN 0.722 nan 8.150 nan 0.000 0.455 403 W N 0.442 121.512 121.300 -0.383 0.000 2.379 403 W HA -0.097 4.563 4.660 0.001 0.000 0.307 403 W C 2.351 178.697 176.519 -0.287 0.000 1.200 403 W CA 1.711 58.867 57.345 -0.315 0.000 1.297 403 W CB -0.379 28.963 29.460 -0.196 0.000 1.140 403 W HN 0.240 nan 8.180 nan 0.000 0.507 404 R N -0.020 120.122 120.500 -0.597 0.000 2.120 404 R HA -0.217 4.124 4.340 0.001 0.000 0.234 404 R C 2.129 178.135 176.300 -0.490 0.000 1.123 404 R CA 1.802 57.463 56.100 -0.731 0.000 0.975 404 R CB -0.571 29.491 30.300 -0.398 0.000 0.866 404 R HN 0.263 nan 8.270 nan 0.000 0.446 405 Q N 0.583 120.155 119.800 -0.381 0.000 2.079 405 Q HA -0.067 4.274 4.340 0.001 0.000 0.200 405 Q C 1.890 177.731 176.000 -0.265 0.000 0.974 405 Q CA 1.896 57.574 55.803 -0.209 0.000 0.840 405 Q CB -0.152 28.548 28.738 -0.064 0.000 0.898 405 Q HN 0.313 nan 8.270 nan 0.000 0.430 406 A N -0.080 122.393 122.820 -0.578 0.000 1.930 406 A HA -0.143 4.178 4.320 0.001 0.000 0.217 406 A C 1.926 179.263 177.584 -0.413 0.000 1.175 406 A CA 1.636 53.228 52.037 -0.741 0.000 0.627 406 A CB -0.468 17.871 19.000 -1.102 0.000 0.815 406 A HN 0.415 nan 8.150 nan 0.000 0.443 407 M N -0.125 119.186 119.600 -0.480 0.000 2.175 407 M HA -0.140 4.341 4.480 0.001 0.000 0.264 407 M C 2.214 178.362 176.300 -0.253 0.000 1.063 407 M CA 1.208 56.275 55.300 -0.388 0.000 1.119 407 M CB -1.561 30.691 32.600 -0.580 0.000 1.377 407 M HN 0.524 nan 8.290 nan 0.000 0.415 408 Q N 0.484 120.144 119.800 -0.233 0.000 2.020 408 Q HA -0.196 4.145 4.340 0.001 0.000 0.202 408 Q C 1.601 177.556 176.000 -0.076 0.000 0.982 408 Q CA 1.583 57.307 55.803 -0.131 0.000 0.838 408 Q CB -0.447 28.237 28.738 -0.091 0.000 0.899 408 Q HN 0.514 nan 8.270 nan 0.000 0.423 409 D N 1.244 121.616 120.400 -0.046 0.000 2.182 409 D HA -0.068 4.573 4.640 0.001 0.000 0.201 409 D C 0.421 176.710 176.300 -0.017 0.000 0.986 409 D CA 0.934 54.939 54.000 0.009 0.000 0.847 409 D CB -0.369 40.493 40.800 0.104 0.000 0.942 409 D HN 0.220 nan 8.370 nan 0.000 0.467 410 A N 1.840 124.624 122.820 -0.059 0.000 2.515 410 A HA 0.024 4.345 4.320 0.001 0.000 0.263 410 A C 0.261 177.822 177.584 -0.038 0.000 1.096 410 A CA -0.025 51.980 52.037 -0.053 0.000 0.769 410 A CB 0.098 19.050 19.000 -0.080 0.000 1.040 410 A HN -0.055 nan 8.150 nan 0.000 0.505 411 D N 1.979 122.364 120.400 -0.024 0.000 2.360 411 D HA 0.139 4.780 4.640 0.001 0.000 0.242 411 D C 1.704 177.990 176.300 -0.024 0.000 1.184 411 D CA 0.927 54.915 54.000 -0.020 0.000 0.930 411 D CB 0.836 41.628 40.800 -0.012 0.000 1.161 411 D HN 0.682 nan 8.370 nan 0.000 0.447 412 T N -1.954 112.587 114.554 -0.021 0.000 3.035 412 T HA -0.172 4.179 4.350 0.001 0.000 0.268 412 T C 1.362 176.051 174.700 -0.019 0.000 1.109 412 T CA 0.726 62.813 62.100 -0.021 0.000 1.119 412 T CB 0.013 68.871 68.868 -0.017 0.000 0.900 412 T HN 0.433 nan 8.240 nan 0.000 0.503 413 Q N 0.592 120.382 119.800 -0.016 0.000 2.408 413 Q HA 0.109 4.450 4.340 0.001 0.000 0.205 413 Q C -0.304 175.685 176.000 -0.019 0.000 0.919 413 Q CA 0.082 55.877 55.803 -0.015 0.000 0.932 413 Q CB -0.216 28.516 28.738 -0.011 0.000 1.058 413 Q HN 0.391 nan 8.270 nan 0.000 0.517 414 D N 1.420 121.806 120.400 -0.023 0.000 2.363 414 D HA 0.260 4.900 4.640 0.001 0.000 0.240 414 D C -0.562 175.715 176.300 -0.037 0.000 1.236 414 D CA -0.102 53.881 54.000 -0.029 0.000 0.927 414 D CB 1.254 42.036 40.800 -0.030 0.000 1.150 414 D HN -0.126 nan 8.370 nan 0.000 0.458 415 V N 1.015 120.902 119.914 -0.045 0.000 2.531 415 V HA 0.289 4.410 4.120 0.001 0.000 0.301 415 V C -0.238 175.813 176.094 -0.072 0.000 1.034 415 V CA -0.834 61.431 62.300 -0.058 0.000 0.865 415 V CB 1.990 33.781 31.823 -0.053 0.000 0.995 415 V HN 0.215 nan 8.190 nan 0.000 0.424 416 V N 6.062 125.930 119.914 -0.076 0.000 2.370 416 V HA 0.521 4.642 4.120 0.001 0.000 0.283 416 V C -0.336 175.709 176.094 -0.081 0.000 1.023 416 V CA -0.487 61.764 62.300 -0.083 0.000 0.857 416 V CB 1.603 33.383 31.823 -0.070 0.000 0.985 416 V HN 0.735 nan 8.190 nan 0.000 0.443 417 I N 6.177 126.695 120.570 -0.087 0.000 2.362 417 I HA 0.542 4.713 4.170 0.001 0.000 0.289 417 I C -0.374 175.707 176.117 -0.060 0.000 0.994 417 I CA -0.059 61.186 61.300 -0.092 0.000 1.158 417 I CB 1.659 39.610 38.000 -0.083 0.000 1.315 417 I HN 0.366 nan 8.210 nan 0.000 0.451 418 V N 7.896 127.761 119.914 -0.081 0.000 2.383 418 V HA 0.572 4.693 4.120 0.001 0.000 0.275 418 V C 0.132 176.200 176.094 -0.044 0.000 1.036 418 V CA -0.149 62.109 62.300 -0.070 0.000 0.889 418 V CB 0.386 32.107 31.823 -0.169 0.000 0.985 418 V HN 1.047 nan 8.190 nan 0.000 0.459 419 C N 1.683 120.995 119.300 0.019 0.000 3.284 419 C HA 0.960 5.421 4.460 0.001 0.000 0.348 419 C C 1.002 176.051 174.990 0.098 0.000 1.448 419 C CA 0.068 59.115 59.018 0.048 0.000 1.223 419 C CB 1.091 28.871 27.740 0.065 0.000 1.588 419 C HN 1.615 nan 8.230 nan 0.000 0.451 420 G N 0.131 109.001 108.800 0.116 0.000 2.259 420 G HA2 0.248 4.208 3.960 0.001 0.000 0.217 420 G HA3 0.248 4.208 3.960 0.001 0.000 0.217 420 G C 0.075 175.080 174.900 0.176 0.000 1.001 420 G CA 0.895 46.079 45.100 0.140 0.000 0.627 420 G HN 2.555 nan 8.290 nan 0.000 0.501 421 S N -2.090 113.719 115.700 0.182 0.000 2.578 421 S HA 0.583 5.054 4.470 0.001 0.000 0.272 421 S C 0.406 175.132 174.600 0.210 0.000 1.145 421 S CA 0.352 58.700 58.200 0.247 0.000 0.835 421 S CB 0.180 63.515 63.200 0.225 0.000 1.104 421 S HN 0.573 nan 8.310 nan 0.000 0.458 422 F N 2.232 122.196 119.950 0.024 0.000 2.120 422 F HA -0.098 4.429 4.527 0.001 0.000 0.300 422 F C 2.445 178.134 175.800 -0.185 0.000 1.095 422 F CA 2.247 60.170 58.000 -0.129 0.000 1.249 422 F CB -0.303 38.515 39.000 -0.303 0.000 0.995 422 F HN 0.709 nan 8.300 nan 0.000 0.480 423 H N -1.581 117.578 119.070 0.149 0.000 2.428 423 H HA -0.062 4.496 4.556 0.002 0.000 0.296 423 H C 2.185 177.583 175.328 0.117 0.000 1.062 423 H CA 1.753 57.840 56.048 0.065 0.000 1.350 423 H CB -0.771 29.040 29.762 0.083 0.000 1.403 423 H HN 0.211 nan 8.280 nan 0.000 0.533 424 T N 0.898 115.595 114.554 0.238 0.000 2.708 424 T HA -0.096 4.254 4.350 0.001 0.000 0.266 424 T C 2.438 177.161 174.700 0.039 0.000 1.037 424 T CA 1.221 63.423 62.100 0.171 0.000 1.146 424 T CB -0.437 68.497 68.868 0.110 0.000 0.865 424 T HN 0.082 nan 8.240 nan 0.000 0.435 425 V N 1.639 121.517 119.914 -0.060 0.000 2.358 425 V HA -0.130 3.991 4.120 0.001 0.000 0.246 425 V C 2.900 178.884 176.094 -0.184 0.000 1.047 425 V CA 1.547 63.743 62.300 -0.173 0.000 1.035 425 V CB -1.226 30.445 31.823 -0.253 0.000 0.658 425 V HN 0.531 nan 8.190 nan 0.000 0.452 426 A N -0.882 121.841 122.820 -0.162 0.000 1.883 426 A HA -0.271 4.050 4.320 0.001 0.000 0.217 426 A C 2.101 179.576 177.584 -0.182 0.000 1.186 426 A CA 1.900 53.829 52.037 -0.179 0.000 0.624 426 A CB -0.863 18.031 19.000 -0.177 0.000 0.822 426 A HN 0.660 nan 8.150 nan 0.000 0.444 427 H N -0.740 118.275 119.070 -0.092 0.000 2.353 427 H HA -0.126 4.431 4.556 0.002 0.000 0.298 427 H C 2.232 177.421 175.328 -0.230 0.000 1.103 427 H CA 1.967 57.948 56.048 -0.112 0.000 1.293 427 H CB -0.405 29.320 29.762 -0.062 0.000 1.372 427 H HN 0.330 nan 8.280 nan 0.000 0.501 428 V N 0.951 120.730 119.914 -0.224 0.000 2.591 428 V HA -0.197 3.924 4.120 0.001 0.000 0.249 428 V C 2.650 178.466 176.094 -0.462 0.000 1.053 428 V CA 0.961 62.921 62.300 -0.567 0.000 1.068 428 V CB -0.406 30.866 31.823 -0.918 0.000 0.689 428 V HN 0.304 nan 8.190 nan 0.000 0.462 429 M N 0.129 119.542 119.600 -0.312 0.000 2.108 429 M HA -0.182 4.299 4.480 0.001 0.000 0.261 429 M C 2.292 178.472 176.300 -0.200 0.000 1.066 429 M CA 2.331 57.495 55.300 -0.227 0.000 1.107 429 M CB -0.484 32.013 32.600 -0.173 0.000 1.356 429 M HN 0.418 nan 8.290 nan 0.000 0.406 430 A N -0.212 122.479 122.820 -0.215 0.000 1.935 430 A HA 0.214 4.535 4.320 0.001 0.000 0.214 430 A C 2.324 179.602 177.584 -0.509 0.000 1.178 430 A CA 1.154 53.040 52.037 -0.252 0.000 0.640 430 A CB -0.719 18.184 19.000 -0.161 0.000 0.825 430 A HN 0.445 nan 8.150 nan 0.000 0.447 431 A N -0.462 122.155 122.820 -0.338 0.000 1.972 431 A HA -0.005 4.316 4.320 0.001 0.000 0.219 431 A C 1.875 179.302 177.584 -0.261 0.000 1.169 431 A CA 1.490 53.354 52.037 -0.288 0.000 0.635 431 A CB -0.436 18.553 19.000 -0.019 0.000 0.810 431 A HN 0.415 nan 8.150 nan 0.000 0.446 432 L N -0.910 120.183 121.223 -0.216 0.000 2.592 432 L HA 0.081 4.422 4.340 0.001 0.000 0.227 432 L C 0.201 177.114 176.870 0.071 0.000 1.127 432 L CA 0.180 55.016 54.840 -0.008 0.000 0.884 432 L CB -0.461 41.561 42.059 -0.063 0.000 1.065 432 L HN 0.551 nan 8.230 nan 0.000 0.457 433 H N -1.030 118.037 119.070 -0.005 0.000 2.594 433 H HA -0.211 4.345 4.556 0.001 0.000 0.316 433 H C 0.350 175.673 175.328 -0.008 0.000 1.107 433 H CA 0.485 56.533 56.048 0.001 0.000 1.133 433 H CB -1.494 28.280 29.762 0.021 0.000 1.459 433 H HN 0.223 nan 8.280 nan 0.000 0.411 434 L N 0.000 121.240 121.223 0.028 0.000 2.949 434 L HA 0.000 4.341 4.340 0.001 0.000 0.249 434 L CA 0.000 54.846 54.840 0.010 0.000 0.813 434 L CB 0.000 42.042 42.059 -0.027 0.000 0.961 434 L HN 0.000 nan 8.230 nan 0.000 0.502