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 2jbs_1_B DATA FIRST_RESID 24 DATA SEQUENCE RLVYTHAQTP DVSGVSMLEK IQQILPQIAK NAESAEQLRR VPDENIKLLK DATA SEQUENCE EIGLHRAFQP KVYGGLEMSL PDFANCIVTL AGACAGTAWA FSLLCTHSHQ DATA SEQUENCE IAMFSKQLQD EIWLKDPDAT ASSSIAPFGK VEEVEGGIIL NGDYGWSSGC DATA SEQUENCE DHAEYAIVGF NRFDADGNKI YSFGVIPRSD YEIVDNWYAQ AIKSSGSKML DATA SEQUENCE KLVNVFIPEY RISKAKDMME GKSAGFGLYP DSKIFYTPYR PYFASGFSAV DATA SEQUENCE SLGIAERMIE AFKEKQRNRV RAYTGANVGL ATPALMRIAE STHQVAAARA DATA SEQUENCE LLEKTWEDHR IHGLNHQYPN KETLAFWRTN QAYAVKMCIE AVDRLMAAAG DATA SEQUENCE ATSFMDNSEL QRLFRDAHMT GAHAYTDYDV CAQILGRELM GMEPDPTMV 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 24 R HA 0.000 nan 4.340 nan 0.000 0.208 24 R C 0.000 176.244 176.300 -0.094 0.000 0.893 24 R CA 0.000 56.072 56.100 -0.046 0.000 0.921 24 R CB 0.000 30.286 30.300 -0.024 0.000 0.687 25 L N 2.033 123.166 121.223 -0.150 0.000 2.466 25 L HA 0.577 4.917 4.340 0.001 0.000 0.257 25 L C -0.148 176.504 176.870 -0.364 0.000 1.189 25 L CA -1.026 53.648 54.840 -0.278 0.000 0.813 25 L CB 1.207 43.028 42.059 -0.395 0.000 1.118 25 L HN 0.433 nan 8.230 nan 0.000 0.471 26 V N 0.405 120.060 119.914 -0.431 0.000 2.588 26 V HA 0.192 4.312 4.120 0.001 0.000 0.304 26 V C -0.520 175.307 176.094 -0.445 0.000 1.042 26 V CA -0.467 61.593 62.300 -0.400 0.000 0.877 26 V CB 1.520 33.093 31.823 -0.417 0.000 0.996 26 V HN 0.560 nan 8.190 nan 0.000 0.425 27 Y N 1.612 121.826 120.300 -0.143 0.000 2.524 27 Y HA 0.004 4.555 4.550 0.001 0.000 0.270 27 Y C 2.437 178.292 175.900 -0.075 0.000 1.094 27 Y CA 0.942 58.992 58.100 -0.083 0.000 1.276 27 Y CB 0.317 38.751 38.460 -0.044 0.000 1.130 27 Y HN 0.752 nan 8.280 nan 0.000 0.536 28 T N -1.933 112.645 114.554 0.040 0.000 3.060 28 T HA 0.162 4.513 4.350 0.001 0.000 0.249 28 T C 0.154 174.949 174.700 0.158 0.000 1.079 28 T CA 0.279 62.437 62.100 0.097 0.000 1.013 28 T CB -0.353 68.615 68.868 0.168 0.000 0.975 28 T HN 0.423 nan 8.240 nan 0.000 0.518 29 H N -1.338 117.753 119.070 0.034 0.000 2.904 29 H HA 0.598 5.155 4.556 0.002 0.000 0.290 29 H C -1.111 174.224 175.328 0.012 0.000 1.437 29 H CA -1.054 55.007 56.048 0.022 0.000 1.147 29 H CB 0.961 30.731 29.762 0.014 0.000 1.824 29 H HN 0.137 nan 8.280 nan 0.000 0.505 30 A N 1.264 124.193 122.820 0.182 0.000 2.511 30 A HA 0.130 4.451 4.320 0.001 0.000 0.242 30 A C 0.498 178.131 177.584 0.082 0.000 1.069 30 A CA 0.154 52.250 52.037 0.099 0.000 0.763 30 A CB -0.080 18.969 19.000 0.081 0.000 1.001 30 A HN 0.614 nan 8.150 nan 0.000 0.498 31 Q N 1.591 121.392 119.800 0.002 0.000 2.243 31 Q HA 0.398 4.739 4.340 0.001 0.000 0.252 31 Q C 0.167 176.170 176.000 0.005 0.000 0.909 31 Q CA -0.243 55.551 55.803 -0.015 0.000 0.922 31 Q CB 0.732 29.432 28.738 -0.063 0.000 1.215 31 Q HN 0.799 nan 8.270 nan 0.000 0.427 32 T N 2.590 117.152 114.554 0.015 0.000 2.751 32 T HA 0.286 4.637 4.350 0.001 0.000 0.290 32 T C -2.282 172.411 174.700 -0.011 0.000 0.919 32 T CA -1.532 60.570 62.100 0.003 0.000 1.136 32 T CB 0.282 69.154 68.868 0.006 0.000 0.875 32 T HN 0.456 nan 8.240 nan 0.000 0.532 33 P HA 0.129 nan 4.420 nan 0.000 0.263 33 P C -0.152 177.136 177.300 -0.019 0.000 1.276 33 P CA -0.150 62.938 63.100 -0.020 0.000 0.986 33 P CB 0.018 31.702 31.700 -0.026 0.000 1.105 34 D N 3.566 123.956 120.400 -0.017 0.000 2.412 34 D HA 0.066 4.707 4.640 0.001 0.000 0.257 34 D C -0.509 175.780 176.300 -0.017 0.000 1.217 34 D CA 0.587 54.578 54.000 -0.016 0.000 0.897 34 D CB 0.339 41.131 40.800 -0.014 0.000 1.132 34 D HN -0.031 nan 8.370 nan 0.000 0.493 35 V N 2.575 122.478 119.914 -0.018 0.000 2.841 35 V HA 0.236 4.357 4.120 0.001 0.000 0.310 35 V C 0.197 176.281 176.094 -0.018 0.000 1.090 35 V CA -1.132 61.157 62.300 -0.019 0.000 0.930 35 V CB 1.964 33.773 31.823 -0.022 0.000 1.014 35 V HN 0.517 nan 8.190 nan 0.000 0.425 36 S N 2.578 118.268 115.700 -0.017 0.000 2.510 36 S HA 0.545 5.016 4.470 0.001 0.000 0.279 36 S C 0.380 174.969 174.600 -0.018 0.000 1.284 36 S CA 0.808 58.999 58.200 -0.016 0.000 1.059 36 S CB -0.060 63.132 63.200 -0.014 0.000 0.901 36 S HN 2.285 nan 8.310 nan 0.000 0.491 37 G N 3.037 111.826 108.800 -0.018 0.000 3.295 37 G HA2 -0.131 3.830 3.960 0.001 0.000 0.686 37 G HA3 -0.131 3.830 3.960 0.001 0.000 0.686 37 G C -0.438 174.448 174.900 -0.022 0.000 0.958 37 G CA -0.537 44.551 45.100 -0.020 0.000 0.787 37 G HN 1.626 nan 8.290 nan 0.000 0.523 38 V N 0.855 120.755 119.914 -0.023 0.000 2.715 38 V HA 0.762 4.883 4.120 0.001 0.000 0.299 38 V C 1.163 177.239 176.094 -0.030 0.000 1.054 38 V CA 0.062 62.348 62.300 -0.024 0.000 1.077 38 V CB 1.220 33.029 31.823 -0.023 0.000 0.972 38 V HN 1.995 nan 8.190 nan 0.000 0.484 39 S N 3.940 119.621 115.700 -0.032 0.000 2.632 39 S HA 0.374 4.845 4.470 0.001 0.000 0.267 39 S C 0.774 175.347 174.600 -0.044 0.000 1.276 39 S CA -0.272 57.905 58.200 -0.039 0.000 0.998 39 S CB 1.192 64.369 63.200 -0.038 0.000 0.953 39 S HN 0.821 nan 8.310 nan 0.000 0.547 40 M N 0.992 120.561 119.600 -0.052 0.000 2.202 40 M HA 0.010 4.491 4.480 0.001 0.000 0.262 40 M C 1.520 177.781 176.300 -0.064 0.000 1.063 40 M CA 1.361 56.627 55.300 -0.057 0.000 1.097 40 M CB -1.200 31.361 32.600 -0.064 0.000 1.382 40 M HN 0.797 nan 8.290 nan 0.000 0.413 41 L N -0.116 121.067 121.223 -0.067 0.000 2.156 41 L HA -0.077 4.263 4.340 0.001 0.000 0.208 41 L C 1.889 178.725 176.870 -0.056 0.000 1.095 41 L CA 1.829 56.627 54.840 -0.070 0.000 0.770 41 L CB -0.718 41.303 42.059 -0.065 0.000 0.914 41 L HN 0.406 nan 8.230 nan 0.000 0.439 42 E N -0.545 119.628 120.200 -0.045 0.000 2.047 42 E HA -0.214 4.137 4.350 0.001 0.000 0.191 42 E C 2.089 178.663 176.600 -0.043 0.000 0.987 42 E CA 1.238 57.614 56.400 -0.039 0.000 0.799 42 E CB -0.093 29.588 29.700 -0.031 0.000 0.752 42 E HN 0.451 nan 8.360 nan 0.000 0.449 43 K N 0.502 120.875 120.400 -0.044 0.000 2.103 43 K HA -0.164 4.156 4.320 0.001 0.000 0.207 43 K C 2.114 178.680 176.600 -0.056 0.000 1.048 43 K CA 0.937 57.196 56.287 -0.045 0.000 0.930 43 K CB -0.089 32.387 32.500 -0.041 0.000 0.716 43 K HN 0.138 nan 8.250 nan 0.000 0.444 44 I N 1.547 122.077 120.570 -0.067 0.000 2.179 44 I HA -0.261 3.910 4.170 0.001 0.000 0.242 44 I C 2.312 178.385 176.117 -0.072 0.000 1.088 44 I CA 1.551 62.802 61.300 -0.082 0.000 1.357 44 I CB -0.954 36.988 38.000 -0.097 0.000 1.051 44 I HN 0.271 nan 8.210 nan 0.000 0.409 45 Q N 0.134 119.896 119.800 -0.063 0.000 2.181 45 Q HA -0.251 4.090 4.340 0.001 0.000 0.205 45 Q C 2.210 178.180 176.000 -0.051 0.000 0.980 45 Q CA 1.540 57.309 55.803 -0.057 0.000 0.862 45 Q CB -0.053 28.654 28.738 -0.051 0.000 0.905 45 Q HN 0.564 nan 8.270 nan 0.000 0.429 46 Q N -0.161 119.610 119.800 -0.047 0.000 2.172 46 Q HA -0.087 4.253 4.340 0.001 0.000 0.200 46 Q C 1.833 177.806 176.000 -0.045 0.000 0.964 46 Q CA 1.067 56.845 55.803 -0.042 0.000 0.855 46 Q CB 0.057 28.773 28.738 -0.037 0.000 0.918 46 Q HN 0.581 nan 8.270 nan 0.000 0.444 47 I N -3.135 117.402 120.570 -0.054 0.000 3.883 47 I HA 0.041 4.212 4.170 0.001 0.000 0.326 47 I C 1.491 177.571 176.117 -0.061 0.000 1.283 47 I CA -0.040 61.225 61.300 -0.059 0.000 1.161 47 I CB 0.133 38.089 38.000 -0.073 0.000 1.012 47 I HN 0.006 nan 8.210 nan 0.000 0.421 48 L N 2.146 123.334 121.223 -0.058 0.000 2.083 48 L HA 0.051 4.391 4.340 0.001 0.000 0.209 48 L C -0.345 176.499 176.870 -0.043 0.000 1.083 48 L CA 2.199 57.006 54.840 -0.055 0.000 0.752 48 L CB -1.404 40.622 42.059 -0.055 0.000 0.899 48 L HN 0.187 nan 8.230 nan 0.000 0.433 49 P HA -0.207 nan 4.420 nan 0.000 0.215 49 P C 1.552 178.835 177.300 -0.028 0.000 1.157 49 P CA 1.379 64.460 63.100 -0.031 0.000 0.868 49 P CB 0.047 31.730 31.700 -0.028 0.000 0.788 50 Q N -1.024 118.756 119.800 -0.033 0.000 2.061 50 Q HA -0.155 4.186 4.340 0.001 0.000 0.204 50 Q C 2.136 178.117 176.000 -0.031 0.000 0.984 50 Q CA 1.387 57.171 55.803 -0.031 0.000 0.846 50 Q CB -0.639 28.077 28.738 -0.037 0.000 0.902 50 Q HN 0.161 nan 8.270 nan 0.000 0.421 51 I N 0.587 121.132 120.570 -0.042 0.000 2.118 51 I HA -0.312 3.859 4.170 0.001 0.000 0.241 51 I C 2.318 178.422 176.117 -0.021 0.000 1.070 51 I CA 1.660 62.936 61.300 -0.041 0.000 1.327 51 I CB -1.585 36.381 38.000 -0.056 0.000 1.034 51 I HN 0.211 nan 8.210 nan 0.000 0.405 52 A N 0.575 123.383 122.820 -0.020 0.000 1.940 52 A HA -0.203 4.117 4.320 0.001 0.000 0.219 52 A C 2.174 179.755 177.584 -0.005 0.000 1.176 52 A CA 1.557 53.589 52.037 -0.010 0.000 0.631 52 A CB -0.360 18.632 19.000 -0.014 0.000 0.814 52 A HN 0.255 nan 8.150 nan 0.000 0.446 53 K N 0.209 120.604 120.400 -0.008 0.000 2.296 53 K HA 0.030 4.351 4.320 0.001 0.000 0.200 53 K C 1.110 177.711 176.600 0.002 0.000 1.048 53 K CA 0.722 57.006 56.287 -0.004 0.000 0.966 53 K CB -0.407 32.088 32.500 -0.007 0.000 0.754 53 K HN 0.461 nan 8.250 nan 0.000 0.466 54 N N 0.892 119.593 118.700 0.001 0.000 2.424 54 N HA 0.028 4.768 4.740 0.001 0.000 0.178 54 N C 1.511 177.032 175.510 0.019 0.000 1.060 54 N CA 0.678 53.733 53.050 0.009 0.000 0.901 54 N CB 0.101 38.590 38.487 0.004 0.000 0.979 54 N HN 0.084 nan 8.380 nan 0.000 0.451 55 A N 1.376 124.206 122.820 0.018 0.000 1.915 55 A HA -0.272 4.048 4.320 0.001 0.000 0.220 55 A C 2.190 179.795 177.584 0.035 0.000 1.198 55 A CA 2.007 54.062 52.037 0.029 0.000 0.647 55 A CB -0.650 18.365 19.000 0.025 0.000 0.825 55 A HN 0.373 nan 8.150 nan 0.000 0.456 56 E N -0.131 120.085 120.200 0.027 0.000 2.047 56 E HA -0.130 4.221 4.350 0.001 0.000 0.191 56 E C 2.194 178.814 176.600 0.033 0.000 0.987 56 E CA 1.515 57.932 56.400 0.029 0.000 0.799 56 E CB -0.079 29.634 29.700 0.021 0.000 0.752 56 E HN 0.760 nan 8.360 nan 0.000 0.449 57 S N -0.136 115.583 115.700 0.031 0.000 2.489 57 S HA 0.075 4.546 4.470 0.001 0.000 0.228 57 S C 1.986 176.615 174.600 0.047 0.000 0.995 57 S CA 0.490 58.711 58.200 0.036 0.000 0.934 57 S CB 0.292 63.510 63.200 0.030 0.000 0.771 57 S HN 0.338 nan 8.310 nan 0.000 0.522 58 A N 1.992 124.843 122.820 0.051 0.000 1.929 58 A HA -0.000 4.321 4.320 0.001 0.000 0.216 58 A C 2.137 179.769 177.584 0.081 0.000 1.176 58 A CA 1.354 53.433 52.037 0.069 0.000 0.628 58 A CB -0.671 18.370 19.000 0.068 0.000 0.816 58 A HN 0.588 nan 8.150 nan 0.000 0.444 59 E N -0.133 120.108 120.200 0.068 0.000 2.051 59 E HA -0.255 4.096 4.350 0.001 0.000 0.192 59 E C 2.006 178.641 176.600 0.059 0.000 0.991 59 E CA 1.628 58.068 56.400 0.067 0.000 0.799 59 E CB -0.185 29.547 29.700 0.052 0.000 0.748 59 E HN 0.690 nan 8.360 nan 0.000 0.449 60 Q N -0.481 119.350 119.800 0.052 0.000 2.436 60 Q HA -0.026 4.314 4.340 0.001 0.000 0.209 60 Q C 1.747 177.780 176.000 0.055 0.000 0.965 60 Q CA 0.431 56.263 55.803 0.048 0.000 0.910 60 Q CB 0.172 28.936 28.738 0.043 0.000 0.980 60 Q HN 0.268 nan 8.270 nan 0.000 0.491 61 L N -0.066 121.197 121.223 0.066 0.000 2.375 61 L HA 0.089 4.430 4.340 0.001 0.000 0.215 61 L C 0.257 177.177 176.870 0.083 0.000 1.108 61 L CA 0.916 55.799 54.840 0.071 0.000 0.830 61 L CB 0.265 42.370 42.059 0.078 0.000 0.959 61 L HN 0.083 nan 8.230 nan 0.000 0.457 62 R N -0.315 120.251 120.500 0.109 0.000 3.878 62 R HA -0.213 4.128 4.340 0.001 0.000 0.330 62 R C -0.219 176.225 176.300 0.240 0.000 1.186 62 R CA 1.000 57.212 56.100 0.186 0.000 0.885 62 R CB -1.989 28.359 30.300 0.080 0.000 1.377 62 R HN 0.592 nan 8.270 nan 0.000 0.523 63 R N -2.798 117.804 120.500 0.170 0.000 2.756 63 R HA 0.510 4.851 4.340 0.001 0.000 0.273 63 R C -0.982 175.432 176.300 0.189 0.000 1.030 63 R CA -1.119 55.072 56.100 0.151 0.000 0.887 63 R CB 0.934 31.290 30.300 0.094 0.000 1.274 63 R HN -0.086 nan 8.270 nan 0.000 0.461 64 V N 2.250 122.325 119.914 0.269 0.000 2.508 64 V HA 0.270 4.391 4.120 0.001 0.000 0.281 64 V C -1.995 174.231 176.094 0.220 0.000 1.041 64 V CA -1.474 60.959 62.300 0.221 0.000 1.016 64 V CB 0.781 32.710 31.823 0.176 0.000 0.984 64 V HN 0.641 nan 8.190 nan 0.000 0.478 65 P HA 0.143 nan 4.420 nan 0.000 0.269 65 P C 0.187 177.510 177.300 0.039 0.000 1.209 65 P CA -0.194 62.957 63.100 0.086 0.000 0.776 65 P CB 0.645 32.373 31.700 0.047 0.000 0.876 66 D N 0.890 121.332 120.400 0.071 0.000 2.149 66 D HA -0.195 4.446 4.640 0.001 0.000 0.198 66 D C 1.638 177.919 176.300 -0.031 0.000 0.990 66 D CA 1.350 55.372 54.000 0.036 0.000 0.839 66 D CB -0.245 40.600 40.800 0.075 0.000 0.948 66 D HN 0.591 nan 8.370 nan 0.000 0.460 67 E N 0.148 120.336 120.200 -0.020 0.000 2.038 67 E HA -0.221 4.130 4.350 0.001 0.000 0.195 67 E C 1.666 178.222 176.600 -0.074 0.000 1.000 67 E CA 1.165 57.544 56.400 -0.036 0.000 0.803 67 E CB 0.091 29.778 29.700 -0.023 0.000 0.750 67 E HN 0.139 nan 8.360 nan 0.000 0.448 68 N N 0.691 119.340 118.700 -0.085 0.000 2.061 68 N HA -0.190 4.550 4.740 0.001 0.000 0.193 68 N C 1.773 177.158 175.510 -0.208 0.000 1.030 68 N CA 1.120 54.090 53.050 -0.133 0.000 0.856 68 N CB -0.349 38.075 38.487 -0.105 0.000 1.023 68 N HN 0.221 nan 8.380 nan 0.000 0.424 69 I N 1.560 122.003 120.570 -0.212 0.000 2.163 69 I HA -0.241 3.929 4.170 0.001 0.000 0.243 69 I C 2.297 178.323 176.117 -0.151 0.000 1.085 69 I CA 1.222 62.395 61.300 -0.211 0.000 1.347 69 I CB -1.046 36.754 38.000 -0.334 0.000 1.044 69 I HN 0.310 nan 8.210 nan 0.000 0.408 70 K N 1.169 121.500 120.400 -0.116 0.000 2.057 70 K HA -0.182 4.139 4.320 0.001 0.000 0.207 70 K C 2.247 178.800 176.600 -0.078 0.000 1.049 70 K CA 1.337 57.580 56.287 -0.074 0.000 0.931 70 K CB -0.170 32.302 32.500 -0.046 0.000 0.714 70 K HN 0.264 nan 8.250 nan 0.000 0.440 71 L N 0.997 122.159 121.223 -0.101 0.000 1.994 71 L HA -0.209 4.132 4.340 0.001 0.000 0.208 71 L C 2.630 179.425 176.870 -0.124 0.000 1.071 71 L CA 1.201 55.980 54.840 -0.100 0.000 0.745 71 L CB -0.457 41.537 42.059 -0.108 0.000 0.892 71 L HN 0.221 nan 8.230 nan 0.000 0.431 72 L N -0.509 120.575 121.223 -0.232 0.000 2.046 72 L HA -0.225 4.116 4.340 0.001 0.000 0.208 72 L C 2.671 179.503 176.870 -0.064 0.000 1.077 72 L CA 1.356 56.001 54.840 -0.324 0.000 0.747 72 L CB -0.468 41.025 42.059 -0.944 0.000 0.896 72 L HN 0.223 nan 8.230 nan 0.000 0.432 73 K N -0.176 120.219 120.400 -0.008 0.000 2.097 73 K HA -0.223 4.098 4.320 0.001 0.000 0.205 73 K C 2.022 178.721 176.600 0.166 0.000 1.050 73 K CA 1.227 57.567 56.287 0.088 0.000 0.938 73 K CB -0.062 32.306 32.500 -0.220 0.000 0.718 73 K HN 0.311 nan 8.250 nan 0.000 0.442 74 E N 1.360 121.592 120.200 0.054 0.000 2.085 74 E HA -0.194 4.157 4.350 0.001 0.000 0.194 74 E C 1.878 178.510 176.600 0.053 0.000 0.994 74 E CA 1.270 57.699 56.400 0.048 0.000 0.801 74 E CB -0.088 29.615 29.700 0.005 0.000 0.743 74 E HN 0.438 nan 8.360 nan 0.000 0.453 75 I N -3.630 116.962 120.570 0.038 0.000 3.291 75 I HA 0.229 4.400 4.170 0.001 0.000 0.279 75 I C 1.356 177.500 176.117 0.046 0.000 1.294 75 I CA 0.846 62.159 61.300 0.022 0.000 1.428 75 I CB 0.022 38.014 38.000 -0.013 0.000 1.070 75 I HN 0.224 nan 8.210 nan 0.000 0.478 76 G N 1.821 110.695 108.800 0.124 0.000 2.157 76 G HA2 -0.309 3.652 3.960 0.001 0.000 0.248 76 G HA3 -0.309 3.652 3.960 0.001 0.000 0.248 76 G C 0.614 175.537 174.900 0.040 0.000 0.979 76 G CA 0.382 45.529 45.100 0.078 0.000 0.650 76 G HN 0.428 nan 8.290 nan 0.000 0.529 77 L N 1.652 122.993 121.223 0.196 0.000 2.043 77 L HA -0.088 4.253 4.340 0.001 0.000 0.212 77 L C 2.798 179.822 176.870 0.257 0.000 1.075 77 L CA 3.116 58.096 54.840 0.232 0.000 0.752 77 L CB -0.574 41.671 42.059 0.311 0.000 0.891 77 L HN 0.665 nan 8.230 nan 0.000 0.432 78 H N -0.254 118.981 119.070 0.274 0.000 2.541 78 H HA -0.108 4.449 4.556 0.002 0.000 0.289 78 H C 1.155 176.462 175.328 -0.035 0.000 1.054 78 H CA 1.205 57.279 56.048 0.044 0.000 1.250 78 H CB -0.669 29.128 29.762 0.057 0.000 1.369 78 H HN 0.476 nan 8.280 nan 0.000 0.578 79 R N 0.595 120.810 120.500 -0.476 0.000 2.515 79 R HA 0.418 4.759 4.340 0.001 0.000 0.294 79 R C 1.880 178.001 176.300 -0.300 0.000 1.021 79 R CA 0.324 56.170 56.100 -0.423 0.000 1.081 79 R CB 0.396 30.398 30.300 -0.495 0.000 1.263 79 R HN 0.262 nan 8.270 nan 0.000 0.557 80 A N 1.046 123.679 122.820 -0.311 0.000 1.883 80 A HA -0.142 4.179 4.320 0.001 0.000 0.217 80 A C 1.125 178.352 177.584 -0.595 0.000 1.186 80 A CA 1.356 53.091 52.037 -0.503 0.000 0.624 80 A CB -0.212 18.366 19.000 -0.703 0.000 0.822 80 A HN 0.269 nan 8.150 nan 0.000 0.444 81 F N -0.572 119.265 119.950 -0.189 0.000 2.661 81 F HA 0.277 4.805 4.527 0.001 0.000 0.306 81 F C 0.886 176.717 175.800 0.052 0.000 1.094 81 F CA -0.647 57.312 58.000 -0.069 0.000 1.254 81 F CB -0.218 38.769 39.000 -0.022 0.000 1.040 81 F HN 0.282 nan 8.300 nan 0.000 0.562 82 Q N 2.883 122.683 119.800 0.001 0.000 2.330 82 Q HA 0.122 4.463 4.340 0.001 0.000 0.279 82 Q C -2.369 173.582 176.000 -0.082 0.000 1.024 82 Q CA -1.783 53.876 55.803 -0.240 0.000 0.900 82 Q CB 0.876 29.275 28.738 -0.565 0.000 1.221 82 Q HN -0.017 nan 8.270 nan 0.000 0.396 83 P HA -0.056 nan 4.420 nan 0.000 0.268 83 P C -0.339 176.870 177.300 -0.152 0.000 1.208 83 P CA 0.206 63.230 63.100 -0.127 0.000 0.777 83 P CB 0.596 31.930 31.700 -0.610 0.000 0.875 84 K N 1.483 121.798 120.400 -0.142 0.000 2.097 84 K HA -0.104 4.217 4.320 0.001 0.000 0.205 84 K C 1.690 178.211 176.600 -0.131 0.000 1.050 84 K CA 1.601 57.822 56.287 -0.111 0.000 0.938 84 K CB -0.740 31.718 32.500 -0.070 0.000 0.718 84 K HN 0.383 nan 8.250 nan 0.000 0.442 85 V N -0.901 118.903 119.914 -0.184 0.000 2.568 85 V HA -0.244 3.877 4.120 0.001 0.000 0.253 85 V C 1.338 177.209 176.094 -0.372 0.000 1.072 85 V CA 1.487 63.629 62.300 -0.263 0.000 1.084 85 V CB -0.835 30.824 31.823 -0.274 0.000 0.676 85 V HN 0.210 nan 8.190 nan 0.000 0.469 86 Y N 1.673 121.917 120.300 -0.093 0.000 2.457 86 Y HA 0.609 5.160 4.550 0.001 0.000 0.263 86 Y C 1.922 177.722 175.900 -0.167 0.000 1.164 86 Y CA 0.151 58.181 58.100 -0.116 0.000 1.274 86 Y CB 0.261 38.600 38.460 -0.201 0.000 1.097 86 Y HN 0.454 nan 8.280 nan 0.000 0.523 87 G N -0.255 108.507 108.800 -0.062 0.000 2.135 87 G HA2 -0.134 3.826 3.960 0.001 0.000 0.183 87 G HA3 -0.134 3.826 3.960 0.001 0.000 0.183 87 G C 0.492 175.309 174.900 -0.137 0.000 1.004 87 G CA -0.311 44.740 45.100 -0.082 0.000 0.677 87 G HN 0.678 nan 8.290 nan 0.000 0.512 88 G N -1.114 107.585 108.800 -0.167 0.000 2.547 88 G HA2 0.623 4.584 3.960 0.001 0.000 0.291 88 G HA3 0.623 4.584 3.960 0.001 0.000 0.291 88 G C 1.064 175.876 174.900 -0.147 0.000 1.211 88 G CA -0.440 44.541 45.100 -0.198 0.000 0.950 88 G HN 0.427 nan 8.290 nan 0.000 0.504 89 L N -0.974 120.154 121.223 -0.159 0.000 2.253 89 L HA 0.228 4.569 4.340 0.001 0.000 0.205 89 L C 0.956 177.755 176.870 -0.120 0.000 1.078 89 L CA 0.298 55.058 54.840 -0.134 0.000 0.805 89 L CB -0.292 41.677 42.059 -0.150 0.000 0.963 89 L HN 0.623 nan 8.230 nan 0.000 0.459 90 E N 1.046 121.172 120.200 -0.124 0.000 2.246 90 E HA -0.218 4.133 4.350 0.001 0.000 0.211 90 E C -0.155 176.395 176.600 -0.085 0.000 1.278 90 E CA 0.021 56.360 56.400 -0.100 0.000 0.694 90 E CB -1.079 28.535 29.700 -0.143 0.000 1.166 90 E HN 0.400 nan 8.360 nan 0.000 0.370 91 M N 0.947 120.452 119.600 -0.157 0.000 2.249 91 M HA 0.018 4.499 4.480 0.001 0.000 0.340 91 M C 1.117 177.431 176.300 0.023 0.000 1.166 91 M CA 0.434 55.654 55.300 -0.133 0.000 1.115 91 M CB 0.567 33.016 32.600 -0.252 0.000 1.606 91 M HN 0.278 nan 8.290 nan 0.000 0.448 92 S N 2.286 118.000 115.700 0.023 0.000 2.573 92 S HA 0.039 4.510 4.470 0.001 0.000 0.277 92 S C 0.848 175.486 174.600 0.062 0.000 1.346 92 S CA -0.803 57.438 58.200 0.068 0.000 1.034 92 S CB 0.693 63.904 63.200 0.019 0.000 0.879 92 S HN 0.724 nan 8.310 nan 0.000 0.528 93 L N 2.889 124.114 121.223 0.003 0.000 1.990 93 L HA 0.057 4.398 4.340 0.001 0.000 0.213 93 L C -0.939 175.713 176.870 -0.363 0.000 1.072 93 L CA 2.003 56.703 54.840 -0.233 0.000 0.755 93 L CB -1.852 39.830 42.059 -0.630 0.000 0.889 93 L HN 0.581 nan 8.230 nan 0.000 0.432 94 P HA -0.152 nan 4.420 nan 0.000 0.214 94 P C 1.034 178.146 177.300 -0.313 0.000 1.163 94 P CA 1.805 64.729 63.100 -0.293 0.000 0.889 94 P CB -0.117 31.577 31.700 -0.010 0.000 0.790 95 D N -1.738 118.561 120.400 -0.167 0.000 2.149 95 D HA -0.167 4.474 4.640 0.001 0.000 0.198 95 D C 1.715 177.900 176.300 -0.191 0.000 0.990 95 D CA 0.975 54.889 54.000 -0.144 0.000 0.839 95 D CB -0.954 39.794 40.800 -0.088 0.000 0.948 95 D HN 0.168 nan 8.370 nan 0.000 0.460 96 F N 1.537 121.279 119.950 -0.346 0.000 2.098 96 F HA -0.019 4.509 4.527 0.001 0.000 0.294 96 F C 2.244 177.794 175.800 -0.415 0.000 1.107 96 F CA 1.453 59.225 58.000 -0.380 0.000 1.234 96 F CB -0.504 38.221 39.000 -0.458 0.000 1.002 96 F HN -0.053 nan 8.300 nan 0.000 0.472 97 A N 0.959 123.394 122.820 -0.642 0.000 1.896 97 A HA -0.330 3.991 4.320 0.001 0.000 0.220 97 A C 2.132 179.275 177.584 -0.736 0.000 1.206 97 A CA 2.297 53.766 52.037 -0.947 0.000 0.647 97 A CB -1.335 16.541 19.000 -1.873 0.000 0.828 97 A HN 0.590 nan 8.150 nan 0.000 0.455 98 N N -0.613 117.731 118.700 -0.593 0.000 2.364 98 N HA -0.131 4.610 4.740 0.001 0.000 0.183 98 N C 1.663 177.018 175.510 -0.258 0.000 1.022 98 N CA 1.409 54.284 53.050 -0.291 0.000 0.883 98 N CB -0.617 37.773 38.487 -0.161 0.000 0.965 98 N HN 0.592 nan 8.380 nan 0.000 0.438 99 C N 0.416 119.494 119.300 -0.369 0.000 2.466 99 C HA 0.064 4.525 4.460 0.001 0.000 0.278 99 C C 2.621 177.408 174.990 -0.338 0.000 1.288 99 C CA -0.143 58.681 59.018 -0.322 0.000 1.722 99 C CB -0.713 26.814 27.740 -0.355 0.000 2.017 99 C HN 0.351 nan 8.230 nan 0.000 0.488 100 I N 0.823 121.086 120.570 -0.512 0.000 2.226 100 I HA -0.125 4.046 4.170 0.001 0.000 0.245 100 I C 2.532 178.534 176.117 -0.193 0.000 1.100 100 I CA 1.515 62.587 61.300 -0.380 0.000 1.374 100 I CB -1.612 36.078 38.000 -0.517 0.000 1.057 100 I HN 0.130 nan 8.210 nan 0.000 0.413 101 V N 0.825 120.636 119.914 -0.172 0.000 2.255 101 V HA -0.315 3.806 4.120 0.001 0.000 0.247 101 V C 2.585 178.656 176.094 -0.039 0.000 1.051 101 V CA 2.479 64.750 62.300 -0.048 0.000 1.018 101 V CB -1.123 30.711 31.823 0.019 0.000 0.641 101 V HN 0.427 nan 8.190 nan 0.000 0.445 102 T N 0.267 114.780 114.554 -0.069 0.000 2.708 102 T HA -0.184 4.167 4.350 0.001 0.000 0.266 102 T C 1.881 176.547 174.700 -0.058 0.000 1.037 102 T CA 1.758 63.824 62.100 -0.056 0.000 1.146 102 T CB -0.375 68.451 68.868 -0.070 0.000 0.865 102 T HN 0.268 nan 8.240 nan 0.000 0.435 103 L N 1.594 122.768 121.223 -0.082 0.000 2.042 103 L HA 0.051 4.392 4.340 0.001 0.000 0.210 103 L C 2.560 179.416 176.870 -0.023 0.000 1.076 103 L CA 1.835 56.635 54.840 -0.068 0.000 0.749 103 L CB -1.125 40.878 42.059 -0.092 0.000 0.893 103 L HN 0.237 nan 8.230 nan 0.000 0.432 104 A N -0.745 122.073 122.820 -0.004 0.000 2.019 104 A HA -0.036 4.285 4.320 0.001 0.000 0.219 104 A C 2.324 179.932 177.584 0.041 0.000 1.164 104 A CA 1.249 53.313 52.037 0.045 0.000 0.644 104 A CB -1.423 17.617 19.000 0.067 0.000 0.805 104 A HN 0.525 nan 8.150 nan 0.000 0.449 105 G N -0.787 108.024 108.800 0.019 0.000 2.462 105 G HA2 0.028 3.989 3.960 0.001 0.000 0.220 105 G HA3 0.028 3.989 3.960 0.001 0.000 0.220 105 G C 1.489 176.396 174.900 0.012 0.000 1.121 105 G CA 1.378 46.487 45.100 0.016 0.000 0.758 105 G HN 0.768 nan 8.290 nan 0.000 0.559 106 A N -1.550 121.273 122.820 0.004 0.000 1.942 106 A HA 0.392 4.713 4.320 0.001 0.000 0.209 106 A C 1.040 178.633 177.584 0.016 0.000 1.214 106 A CA 1.094 53.132 52.037 0.001 0.000 0.686 106 A CB 0.077 19.067 19.000 -0.018 0.000 0.871 106 A HN 0.613 nan 8.150 nan 0.000 0.460 107 C N -0.682 118.634 119.300 0.026 0.000 2.781 107 C HA 0.639 5.099 4.460 0.001 0.000 0.348 107 C C 1.620 176.659 174.990 0.082 0.000 1.051 107 C CA -0.658 58.390 59.018 0.050 0.000 1.347 107 C CB -0.104 27.662 27.740 0.043 0.000 1.846 107 C HN 0.725 nan 8.230 nan 0.000 0.473 108 A N 4.004 126.883 122.820 0.099 0.000 1.884 108 A HA -0.017 4.304 4.320 0.001 0.000 0.219 108 A C 2.232 179.938 177.584 0.203 0.000 1.197 108 A CA 2.655 54.780 52.037 0.147 0.000 0.637 108 A CB -1.189 17.890 19.000 0.131 0.000 0.827 108 A HN 1.531 nan 8.150 nan 0.000 0.450 109 G N -1.436 107.459 108.800 0.158 0.000 2.440 109 G HA2 -0.187 3.773 3.960 0.001 0.000 0.218 109 G HA3 -0.187 3.773 3.960 0.001 0.000 0.218 109 G C 1.588 176.625 174.900 0.227 0.000 1.154 109 G CA 1.780 46.983 45.100 0.171 0.000 0.767 109 G HN 0.464 nan 8.290 nan 0.000 0.552 110 T N 1.781 116.440 114.554 0.174 0.000 2.643 110 T HA -0.010 4.341 4.350 0.001 0.000 0.264 110 T C 2.852 177.683 174.700 0.218 0.000 1.045 110 T CA 1.775 63.974 62.100 0.164 0.000 1.155 110 T CB -0.598 68.310 68.868 0.067 0.000 0.863 110 T HN 0.387 nan 8.240 nan 0.000 0.420 111 A N 1.686 124.611 122.820 0.175 0.000 1.892 111 A HA -0.179 4.142 4.320 0.001 0.000 0.218 111 A C 2.147 179.874 177.584 0.238 0.000 1.188 111 A CA 1.822 53.955 52.037 0.160 0.000 0.631 111 A CB -1.176 17.885 19.000 0.103 0.000 0.822 111 A HN 0.742 nan 8.150 nan 0.000 0.447 112 W N 0.615 121.977 121.300 0.102 0.000 2.353 112 W HA -0.156 4.505 4.660 0.002 0.000 0.319 112 W C 2.428 179.027 176.519 0.132 0.000 1.207 112 W CA 2.325 59.741 57.345 0.118 0.000 1.291 112 W CB -0.792 28.765 29.460 0.161 0.000 1.159 112 W HN 0.424 nan 8.180 nan 0.000 0.478 113 A N 0.080 123.247 122.820 0.579 0.000 1.883 113 A HA -0.253 4.068 4.320 0.001 0.000 0.217 113 A C 2.003 179.760 177.584 0.289 0.000 1.186 113 A CA 1.836 54.135 52.037 0.436 0.000 0.624 113 A CB -1.633 17.582 19.000 0.358 0.000 0.822 113 A HN 0.364 nan 8.150 nan 0.000 0.444 114 F N 0.590 120.628 119.950 0.148 0.000 2.259 114 F HA -0.072 4.456 4.527 0.001 0.000 0.298 114 F C 2.788 178.648 175.800 0.101 0.000 1.088 114 F CA 1.402 59.467 58.000 0.108 0.000 1.358 114 F CB -0.158 38.884 39.000 0.069 0.000 1.040 114 F HN 0.285 nan 8.300 nan 0.000 0.505 115 S N 0.360 116.156 115.700 0.160 0.000 2.359 115 S HA -0.214 4.257 4.470 0.001 0.000 0.224 115 S C 2.190 176.754 174.600 -0.060 0.000 1.035 115 S CA 1.668 59.926 58.200 0.096 0.000 1.018 115 S CB -0.645 62.497 63.200 -0.097 0.000 0.876 115 S HN 0.446 nan 8.310 nan 0.000 0.448 116 L N 0.900 122.015 121.223 -0.181 0.000 1.989 116 L HA -0.100 4.240 4.340 0.001 0.000 0.211 116 L C 2.639 179.274 176.870 -0.392 0.000 1.071 116 L CA 1.502 56.137 54.840 -0.341 0.000 0.749 116 L CB -0.612 41.373 42.059 -0.123 0.000 0.890 116 L HN 0.376 nan 8.230 nan 0.000 0.431 117 L N -1.177 119.964 121.223 -0.137 0.000 2.081 117 L HA -0.318 4.022 4.340 0.001 0.000 0.212 117 L C 2.702 179.506 176.870 -0.109 0.000 1.080 117 L CA 1.317 56.120 54.840 -0.062 0.000 0.754 117 L CB -0.739 41.206 42.059 -0.191 0.000 0.893 117 L HN 0.473 nan 8.230 nan 0.000 0.433 118 C N -0.508 118.668 119.300 -0.207 0.000 2.473 118 C HA -0.144 4.317 4.460 0.001 0.000 0.279 118 C C 3.064 178.043 174.990 -0.017 0.000 1.250 118 C CA 1.465 60.409 59.018 -0.123 0.000 1.713 118 C CB -0.989 26.714 27.740 -0.062 0.000 2.066 118 C HN 0.656 nan 8.230 nan 0.000 0.474 119 T N -1.842 112.667 114.554 -0.074 0.000 2.977 119 T HA -0.192 4.159 4.350 0.001 0.000 0.271 119 T C 1.237 176.003 174.700 0.109 0.000 1.105 119 T CA 1.666 63.762 62.100 -0.007 0.000 1.116 119 T CB -0.894 67.888 68.868 -0.142 0.000 0.878 119 T HN 0.729 nan 8.240 nan 0.000 0.509 120 H N 0.710 119.865 119.070 0.141 0.000 2.423 120 H HA 0.069 4.626 4.556 0.001 0.000 0.297 120 H C 2.677 178.077 175.328 0.121 0.000 1.075 120 H CA 1.028 57.136 56.048 0.100 0.000 1.342 120 H CB 0.003 29.795 29.762 0.051 0.000 1.395 120 H HN 0.358 nan 8.280 nan 0.000 0.530 121 S N -0.473 115.418 115.700 0.318 0.000 2.399 121 S HA -0.217 4.254 4.470 0.001 0.000 0.231 121 S C 1.949 176.768 174.600 0.366 0.000 1.022 121 S CA 0.879 59.321 58.200 0.402 0.000 0.983 121 S CB -0.283 63.147 63.200 0.383 0.000 0.803 121 S HN 0.589 nan 8.310 nan 0.000 0.480 122 H N 0.755 119.964 119.070 0.233 0.000 2.456 122 H HA -0.011 4.545 4.556 0.001 0.000 0.296 122 H C 2.175 177.581 175.328 0.130 0.000 1.079 122 H CA 1.458 57.620 56.048 0.189 0.000 1.322 122 H CB 0.046 29.728 29.762 -0.133 0.000 1.388 122 H HN 0.466 nan 8.280 nan 0.000 0.538 123 Q N 0.197 120.085 119.800 0.147 0.000 2.061 123 Q HA -0.011 4.329 4.340 0.001 0.000 0.195 123 Q C 2.656 178.714 176.000 0.096 0.000 0.967 123 Q CA 0.558 56.399 55.803 0.063 0.000 0.829 123 Q CB 0.296 29.049 28.738 0.024 0.000 0.900 123 Q HN 0.448 nan 8.270 nan 0.000 0.450 124 I N 1.147 121.743 120.570 0.044 0.000 2.300 124 I HA -0.309 3.862 4.170 0.001 0.000 0.252 124 I C 2.157 178.314 176.117 0.068 0.000 1.119 124 I CA 1.125 62.377 61.300 -0.080 0.000 1.384 124 I CB -0.495 37.337 38.000 -0.279 0.000 1.062 124 I HN 0.237 nan 8.210 nan 0.000 0.426 125 A N 0.107 122.956 122.820 0.048 0.000 2.172 125 A HA -0.084 4.237 4.320 0.001 0.000 0.216 125 A C 2.142 179.646 177.584 -0.132 0.000 1.154 125 A CA 1.127 53.096 52.037 -0.113 0.000 0.701 125 A CB -0.414 18.174 19.000 -0.686 0.000 0.789 125 A HN 0.451 nan 8.150 nan 0.000 0.465 126 M N -1.978 117.588 119.600 -0.056 0.000 2.371 126 M HA 0.277 4.758 4.480 0.001 0.000 0.246 126 M C -0.276 175.966 176.300 -0.097 0.000 1.103 126 M CA -0.156 55.087 55.300 -0.095 0.000 1.010 126 M CB 0.245 32.765 32.600 -0.132 0.000 1.457 126 M HN 0.291 nan 8.290 nan 0.000 0.486 127 F N 0.840 120.706 119.950 -0.139 0.000 2.284 127 F HA 0.175 4.703 4.527 0.002 0.000 0.297 127 F C 1.510 177.261 175.800 -0.080 0.000 1.215 127 F CA -0.617 57.310 58.000 -0.122 0.000 1.120 127 F CB 0.392 39.295 39.000 -0.161 0.000 1.426 127 F HN -0.028 nan 8.300 nan 0.000 0.514 128 S N 0.499 116.297 115.700 0.164 0.000 2.563 128 S HA 0.011 4.482 4.470 0.001 0.000 0.284 128 S C 1.135 175.779 174.600 0.074 0.000 1.331 128 S CA -0.393 57.858 58.200 0.086 0.000 1.047 128 S CB 0.631 63.903 63.200 0.119 0.000 0.859 128 S HN 0.754 nan 8.310 nan 0.000 0.514 129 K N 1.361 121.780 120.400 0.033 0.000 2.113 129 K HA -0.233 4.087 4.320 0.001 0.000 0.208 129 K C 1.982 178.620 176.600 0.064 0.000 1.047 129 K CA 1.887 58.210 56.287 0.061 0.000 0.928 129 K CB -0.284 32.227 32.500 0.019 0.000 0.716 129 K HN 0.681 nan 8.250 nan 0.000 0.446 130 Q N 0.565 120.371 119.800 0.009 0.000 2.124 130 Q HA -0.135 4.206 4.340 0.001 0.000 0.202 130 Q C 1.907 177.902 176.000 -0.008 0.000 0.977 130 Q CA 1.310 57.084 55.803 -0.050 0.000 0.850 130 Q CB -0.260 28.347 28.738 -0.218 0.000 0.901 130 Q HN 0.311 nan 8.270 nan 0.000 0.429 131 L N 0.424 121.684 121.223 0.062 0.000 2.005 131 L HA -0.204 4.137 4.340 0.001 0.000 0.207 131 L C 1.951 178.682 176.870 -0.232 0.000 1.072 131 L CA 1.813 56.649 54.840 -0.007 0.000 0.744 131 L CB -0.619 41.426 42.059 -0.023 0.000 0.895 131 L HN 0.235 nan 8.230 nan 0.000 0.433 132 Q N -0.676 118.998 119.800 -0.211 0.000 2.077 132 Q HA -0.263 4.078 4.340 0.001 0.000 0.206 132 Q C 1.893 177.720 176.000 -0.289 0.000 0.989 132 Q CA 1.839 57.426 55.803 -0.361 0.000 0.853 132 Q CB -0.534 28.196 28.738 -0.014 0.000 0.907 132 Q HN 0.520 nan 8.270 nan 0.000 0.418 133 D N 0.631 121.030 120.400 -0.001 0.000 2.133 133 D HA -0.185 4.456 4.640 0.001 0.000 0.195 133 D C 1.722 178.021 176.300 -0.002 0.000 0.997 133 D CA 1.199 55.264 54.000 0.109 0.000 0.840 133 D CB -0.111 40.770 40.800 0.134 0.000 0.947 133 D HN 0.347 nan 8.370 nan 0.000 0.452 134 E N -0.246 119.907 120.200 -0.078 0.000 2.047 134 E HA -0.123 4.228 4.350 0.001 0.000 0.191 134 E C 2.227 178.733 176.600 -0.158 0.000 0.987 134 E CA 0.622 56.977 56.400 -0.075 0.000 0.799 134 E CB -0.022 29.651 29.700 -0.045 0.000 0.752 134 E HN 0.222 nan 8.360 nan 0.000 0.449 135 I N -0.436 119.883 120.570 -0.418 0.000 2.163 135 I HA -0.235 3.936 4.170 0.001 0.000 0.240 135 I C 1.993 177.932 176.117 -0.296 0.000 1.081 135 I CA 0.974 61.904 61.300 -0.616 0.000 1.353 135 I CB -0.210 36.992 38.000 -1.331 0.000 1.054 135 I HN 0.309 nan 8.210 nan 0.000 0.407 136 W N -0.147 121.020 121.300 -0.222 0.000 2.630 136 W HA 0.211 4.872 4.660 0.001 0.000 0.275 136 W C 2.282 178.793 176.519 -0.014 0.000 1.192 136 W CA 0.054 57.291 57.345 -0.179 0.000 1.410 136 W CB -0.784 28.408 29.460 -0.447 0.000 1.075 136 W HN 0.046 nan 8.180 nan 0.000 0.581 137 L N 0.833 122.210 121.223 0.257 0.000 2.129 137 L HA -0.267 4.074 4.340 0.001 0.000 0.212 137 L C 2.493 179.463 176.870 0.166 0.000 1.087 137 L CA 1.667 56.654 54.840 0.245 0.000 0.757 137 L CB -0.634 41.556 42.059 0.219 0.000 0.896 137 L HN -0.040 nan 8.230 nan 0.000 0.434 138 K N -0.119 120.361 120.400 0.134 0.000 1.991 138 K HA -0.139 4.181 4.320 0.001 0.000 0.207 138 K C 0.275 176.954 176.600 0.131 0.000 1.045 138 K CA 1.442 57.796 56.287 0.111 0.000 0.937 138 K CB 0.241 32.796 32.500 0.091 0.000 0.720 138 K HN 0.081 nan 8.250 nan 0.000 0.438 139 D N -0.852 119.650 120.400 0.170 0.000 2.479 139 D HA 0.226 4.867 4.640 0.001 0.000 0.246 139 D C -2.377 174.102 176.300 0.297 0.000 1.336 139 D CA -2.263 51.854 54.000 0.195 0.000 0.967 139 D CB 2.004 42.906 40.800 0.170 0.000 1.275 139 D HN -0.111 nan 8.370 nan 0.000 0.577 140 P HA 0.069 nan 4.420 nan 0.000 0.233 140 P C 0.270 177.693 177.300 0.205 0.000 1.167 140 P CA 0.509 63.735 63.100 0.209 0.000 0.770 140 P CB 0.436 32.206 31.700 0.117 0.000 0.837 141 D N -0.907 119.658 120.400 0.276 0.000 2.349 141 D HA 0.141 4.782 4.640 0.001 0.000 0.214 141 D C 0.778 177.294 176.300 0.361 0.000 1.063 141 D CA 0.051 54.265 54.000 0.355 0.000 0.847 141 D CB 0.026 40.987 40.800 0.267 0.000 0.933 141 D HN 0.045 nan 8.370 nan 0.000 0.513 142 A N 1.097 124.154 122.820 0.395 0.000 2.498 142 A HA 0.386 4.706 4.320 0.001 0.000 0.239 142 A C 0.851 178.691 177.584 0.427 0.000 1.068 142 A CA 0.254 52.507 52.037 0.360 0.000 0.766 142 A CB 0.131 19.336 19.000 0.342 0.000 1.003 142 A HN 0.166 nan 8.150 nan 0.000 0.497 143 T N -1.277 113.461 114.554 0.307 0.000 2.864 143 T HA 0.823 5.174 4.350 0.001 0.000 0.289 143 T C -0.429 174.406 174.700 0.225 0.000 1.082 143 T CA -0.168 62.096 62.100 0.273 0.000 1.009 143 T CB 1.814 70.801 68.868 0.197 0.000 1.234 143 T HN 1.785 nan 8.240 nan 0.000 0.526 144 A N 1.087 124.020 122.820 0.188 0.000 2.386 144 A HA 0.830 5.151 4.320 0.001 0.000 0.311 144 A C 0.276 177.958 177.584 0.163 0.000 1.068 144 A CA -0.658 51.451 52.037 0.121 0.000 0.743 144 A CB 1.318 20.297 19.000 -0.036 0.000 1.258 144 A HN 1.341 nan 8.150 nan 0.000 0.429 145 S N 1.070 116.826 115.700 0.093 0.000 2.713 145 S HA 0.867 5.338 4.470 0.001 0.000 0.277 145 S C 0.270 174.757 174.600 -0.189 0.000 1.168 145 S CA 0.218 58.485 58.200 0.112 0.000 0.994 145 S CB 1.121 64.408 63.200 0.145 0.000 1.054 145 S HN 2.038 nan 8.310 nan 0.000 0.555 146 S N -0.854 114.816 115.700 -0.051 0.000 2.618 146 S HA 0.757 5.228 4.470 0.001 0.000 0.277 146 S C -0.942 173.724 174.600 0.109 0.000 1.138 146 S CA -0.645 57.480 58.200 -0.125 0.000 0.844 146 S CB 1.425 64.481 63.200 -0.239 0.000 1.127 146 S HN 1.280 nan 8.310 nan 0.000 0.474 147 S N 0.701 116.469 115.700 0.113 0.000 2.511 147 S HA 0.340 4.811 4.470 0.001 0.000 0.233 147 S C 0.340 175.145 174.600 0.343 0.000 1.104 147 S CA -0.579 57.808 58.200 0.312 0.000 1.129 147 S CB -0.228 63.214 63.200 0.404 0.000 1.159 147 S HN 0.977 nan 8.310 nan 0.000 0.451 148 I N 2.410 123.195 120.570 0.359 0.000 2.703 148 I HA 0.515 4.686 4.170 0.001 0.000 0.259 148 I C 1.095 177.417 176.117 0.340 0.000 1.151 148 I CA -0.050 61.494 61.300 0.407 0.000 1.470 148 I CB -0.435 37.834 38.000 0.450 0.000 1.112 148 I HN 0.606 nan 8.210 nan 0.000 0.437 149 A N 4.551 127.467 122.820 0.161 0.000 2.553 149 A HA 0.136 4.457 4.320 0.001 0.000 0.258 149 A C -1.905 175.415 177.584 -0.440 0.000 1.069 149 A CA -0.707 51.174 52.037 -0.260 0.000 0.767 149 A CB -0.923 17.793 19.000 -0.474 0.000 0.997 149 A HN 0.363 nan 8.150 nan 0.000 0.512 150 P HA 0.087 nan 4.420 nan 0.000 0.231 150 P C -0.039 177.137 177.300 -0.207 0.000 1.756 150 P CA 0.081 63.109 63.100 -0.120 0.000 0.990 150 P CB -0.365 31.269 31.700 -0.109 0.000 1.973 151 F N 0.300 120.200 119.950 -0.082 0.000 2.456 151 F HA 0.132 4.660 4.527 0.002 0.000 0.298 151 F C 2.062 177.785 175.800 -0.128 0.000 1.104 151 F CA 0.162 58.053 58.000 -0.182 0.000 1.435 151 F CB -1.050 37.753 39.000 -0.328 0.000 1.078 151 F HN 0.108 nan 8.300 nan 0.000 0.546 152 G N 1.231 110.097 108.800 0.110 0.000 2.380 152 G HA2 0.119 4.079 3.960 0.001 0.000 0.242 152 G HA3 0.119 4.079 3.960 0.001 0.000 0.242 152 G C -0.145 174.843 174.900 0.147 0.000 1.298 152 G CA -0.524 44.708 45.100 0.221 0.000 0.878 152 G HN 0.148 nan 8.290 nan 0.000 0.542 153 K N 0.369 120.832 120.400 0.105 0.000 2.276 153 K HA 0.373 4.694 4.320 0.001 0.000 0.283 153 K C -0.370 176.241 176.600 0.018 0.000 1.044 153 K CA -0.460 55.870 56.287 0.071 0.000 0.944 153 K CB 2.008 34.549 32.500 0.069 0.000 1.012 153 K HN 0.301 nan 8.250 nan 0.000 0.472 154 V N 2.910 122.816 119.914 -0.015 0.000 2.483 154 V HA 0.277 4.398 4.120 0.001 0.000 0.297 154 V C -1.010 175.053 176.094 -0.051 0.000 1.027 154 V CA -0.567 61.675 62.300 -0.097 0.000 0.855 154 V CB 1.517 33.223 31.823 -0.196 0.000 0.995 154 V HN 0.870 nan 8.190 nan 0.000 0.424 155 E N 5.037 125.212 120.200 -0.043 0.000 2.156 155 E HA 0.354 4.705 4.350 0.001 0.000 0.279 155 E C -0.639 175.954 176.600 -0.010 0.000 0.965 155 E CA -0.631 55.766 56.400 -0.004 0.000 0.789 155 E CB 1.169 30.878 29.700 0.014 0.000 1.098 155 E HN 0.758 nan 8.360 nan 0.000 0.397 156 E N 4.030 124.235 120.200 0.008 0.000 2.029 156 E HA 0.086 4.437 4.350 0.001 0.000 0.276 156 E C 0.200 176.822 176.600 0.037 0.000 1.163 156 E CA -0.085 56.325 56.400 0.016 0.000 0.909 156 E CB 0.808 30.523 29.700 0.026 0.000 1.046 156 E HN 0.424 nan 8.360 nan 0.000 0.406 157 V N 0.424 120.373 119.914 0.059 0.000 3.262 157 V HA 0.374 4.494 4.120 0.001 0.000 0.313 157 V C 0.315 176.457 176.094 0.080 0.000 1.070 157 V CA -1.078 61.263 62.300 0.068 0.000 1.049 157 V CB 1.124 32.997 31.823 0.084 0.000 1.157 157 V HN 0.549 nan 8.190 nan 0.000 0.454 158 E N 0.771 121.006 120.200 0.058 0.000 2.289 158 E HA 0.596 4.947 4.350 0.001 0.000 0.278 158 E C 0.757 177.415 176.600 0.096 0.000 1.032 158 E CA -0.060 56.377 56.400 0.060 0.000 0.854 158 E CB 0.798 30.517 29.700 0.032 0.000 1.046 158 E HN 1.729 nan 8.360 nan 0.000 0.409 159 G N 1.780 110.650 108.800 0.118 0.000 2.213 159 G HA2 -0.047 3.914 3.960 0.001 0.000 0.236 159 G HA3 -0.047 3.914 3.960 0.001 0.000 0.236 159 G C 0.544 175.588 174.900 0.239 0.000 0.991 159 G CA -0.269 44.939 45.100 0.179 0.000 0.629 159 G HN 1.511 nan 8.290 nan 0.000 0.517 160 G N -0.738 108.185 108.800 0.204 0.000 2.455 160 G HA2 0.566 4.526 3.960 0.001 0.000 0.223 160 G HA3 0.566 4.526 3.960 0.001 0.000 0.223 160 G C -0.824 174.108 174.900 0.053 0.000 1.226 160 G CA 0.050 45.192 45.100 0.070 0.000 0.948 160 G HN 1.690 nan 8.290 nan 0.000 0.478 161 I N -1.889 118.616 120.570 -0.108 0.000 3.042 161 I HA 0.857 5.027 4.170 0.001 0.000 0.310 161 I C -1.019 175.062 176.117 -0.059 0.000 1.117 161 I CA -1.522 59.717 61.300 -0.102 0.000 1.003 161 I CB 2.379 40.223 38.000 -0.261 0.000 1.228 161 I HN 0.475 nan 8.210 nan 0.000 0.443 162 I N 4.000 124.561 120.570 -0.016 0.000 2.354 162 I HA 0.421 4.592 4.170 0.001 0.000 0.292 162 I C -0.969 175.087 176.117 -0.102 0.000 0.989 162 I CA -0.669 60.626 61.300 -0.007 0.000 1.188 162 I CB 1.859 39.898 38.000 0.065 0.000 1.342 162 I HN 0.435 nan 8.210 nan 0.000 0.457 163 L N 7.308 128.454 121.223 -0.129 0.000 2.346 163 L HA 0.544 4.885 4.340 0.001 0.000 0.276 163 L C -1.059 175.808 176.870 -0.006 0.000 1.006 163 L CA -0.050 54.711 54.840 -0.131 0.000 0.817 163 L CB 1.542 43.441 42.059 -0.266 0.000 1.272 163 L HN 0.520 nan 8.230 nan 0.000 0.421 164 N N 2.361 121.093 118.700 0.052 0.000 2.225 164 N HA 0.921 5.662 4.740 0.001 0.000 0.298 164 N C -1.033 174.572 175.510 0.158 0.000 1.076 164 N CA -0.222 52.886 53.050 0.097 0.000 0.792 164 N CB 2.279 40.804 38.487 0.065 0.000 1.498 164 N HN 0.892 nan 8.380 nan 0.000 0.474 165 G N 0.469 109.378 108.800 0.182 0.000 2.347 165 G HA2 0.127 4.088 3.960 0.001 0.000 0.303 165 G HA3 0.127 4.088 3.960 0.001 0.000 0.303 165 G C -2.192 172.806 174.900 0.164 0.000 1.481 165 G CA -0.856 44.329 45.100 0.141 0.000 0.914 165 G HN 0.388 nan 8.290 nan 0.000 0.638 166 D N 0.341 120.756 120.400 0.025 0.000 2.317 166 D HA 0.429 5.070 4.640 0.001 0.000 0.234 166 D C -0.858 175.443 176.300 0.001 0.000 1.112 166 D CA 0.321 54.350 54.000 0.048 0.000 0.840 166 D CB 1.060 41.851 40.800 -0.016 0.000 1.078 166 D HN 0.276 nan 8.370 nan 0.000 0.486 167 Y N 1.039 121.427 120.300 0.148 0.000 2.593 167 Y HA 0.388 4.939 4.550 0.001 0.000 0.331 167 Y C 1.261 177.296 175.900 0.224 0.000 0.986 167 Y CA -0.722 57.523 58.100 0.242 0.000 1.262 167 Y CB 1.351 39.909 38.460 0.163 0.000 1.098 167 Y HN 0.342 nan 8.280 nan 0.000 0.506 168 G N 1.238 110.267 108.800 0.382 0.000 2.636 168 G HA2 0.177 4.138 3.960 0.001 0.000 0.246 168 G HA3 0.177 4.138 3.960 0.001 0.000 0.246 168 G C -0.990 174.207 174.900 0.496 0.000 1.216 168 G CA -0.389 44.901 45.100 0.317 0.000 0.854 168 G HN 0.897 nan 8.290 nan 0.000 0.572 169 W N -0.718 120.689 121.300 0.179 0.000 4.918 169 W HA -0.128 4.533 4.660 0.002 0.000 0.433 169 W C 0.660 177.269 176.519 0.149 0.000 1.739 169 W CA 0.473 57.904 57.345 0.145 0.000 0.835 169 W CB -1.571 28.017 29.460 0.212 0.000 2.928 169 W HN 0.567 nan 8.180 nan 0.000 1.090 170 S N 1.579 117.402 115.700 0.205 0.000 2.328 170 S HA 0.464 4.935 4.470 0.001 0.000 0.204 170 S C 0.433 175.107 174.600 0.123 0.000 1.475 170 S CA -0.420 57.895 58.200 0.192 0.000 1.148 170 S CB 0.251 63.522 63.200 0.118 0.000 1.077 170 S HN 0.220 nan 8.310 nan 0.000 0.479 171 S N 1.985 117.809 115.700 0.206 0.000 2.593 171 S HA 0.307 4.778 4.470 0.001 0.000 0.300 171 S C 1.481 176.200 174.600 0.199 0.000 1.267 171 S CA 0.913 59.224 58.200 0.185 0.000 1.065 171 S CB 0.347 63.814 63.200 0.446 0.000 0.807 171 S HN 1.259 nan 8.310 nan 0.000 0.499 172 G N 1.376 110.268 108.800 0.152 0.000 2.175 172 G HA2 -0.383 3.578 3.960 0.001 0.000 0.265 172 G HA3 -0.383 3.578 3.960 0.001 0.000 0.265 172 G C 1.120 176.111 174.900 0.151 0.000 0.979 172 G CA 0.566 45.794 45.100 0.213 0.000 0.663 172 G HN 1.280 nan 8.290 nan 0.000 0.533 173 C N -1.220 118.134 119.300 0.091 0.000 2.410 173 C HA 0.020 4.481 4.460 0.001 0.000 0.281 173 C C 2.022 177.037 174.990 0.042 0.000 1.318 173 C CA 1.282 60.353 59.018 0.090 0.000 1.776 173 C CB -0.613 27.176 27.740 0.081 0.000 1.942 173 C HN 0.489 nan 8.230 nan 0.000 0.508 174 D N 0.156 120.509 120.400 -0.078 0.000 2.219 174 D HA -0.089 4.552 4.640 0.001 0.000 0.205 174 D C 1.500 177.625 176.300 -0.291 0.000 0.970 174 D CA 1.239 55.099 54.000 -0.234 0.000 0.851 174 D CB -0.406 40.147 40.800 -0.412 0.000 0.943 174 D HN 0.723 nan 8.370 nan 0.000 0.488 175 H N -0.594 118.520 119.070 0.073 0.000 2.549 175 H HA 0.435 4.992 4.556 0.001 0.000 0.279 175 H C 0.392 175.762 175.328 0.070 0.000 1.018 175 H CA -0.109 55.982 56.048 0.072 0.000 1.175 175 H CB 0.552 30.375 29.762 0.101 0.000 1.485 175 H HN -0.028 nan 8.280 nan 0.000 0.543 176 A N 0.691 123.597 122.820 0.143 0.000 2.306 176 A HA 0.376 4.697 4.320 0.001 0.000 0.330 176 A C 0.577 178.190 177.584 0.048 0.000 1.146 176 A CA -0.469 51.644 52.037 0.128 0.000 0.827 176 A CB 1.188 20.279 19.000 0.152 0.000 1.178 176 A HN 0.126 nan 8.150 nan 0.000 0.490 177 E N -0.443 119.769 120.200 0.020 0.000 2.415 177 E HA 0.190 4.541 4.350 0.001 0.000 0.197 177 E C -1.015 175.271 176.600 -0.523 0.000 1.007 177 E CA 0.875 57.143 56.400 -0.221 0.000 0.890 177 E CB 0.202 29.793 29.700 -0.182 0.000 0.891 177 E HN 0.666 nan 8.360 nan 0.000 0.496 178 Y N -0.905 119.406 120.300 0.018 0.000 2.609 178 Y HA 0.727 5.278 4.550 0.002 0.000 0.342 178 Y C -0.594 175.320 175.900 0.022 0.000 1.058 178 Y CA -1.636 56.468 58.100 0.007 0.000 1.055 178 Y CB 1.836 40.212 38.460 -0.139 0.000 1.292 178 Y HN -0.189 nan 8.280 nan 0.000 0.476 179 A N 1.695 124.593 122.820 0.131 0.000 2.386 179 A HA 0.816 5.137 4.320 0.001 0.000 0.311 179 A C -1.309 176.146 177.584 -0.214 0.000 1.068 179 A CA -0.711 51.250 52.037 -0.127 0.000 0.743 179 A CB 0.730 19.487 19.000 -0.405 0.000 1.258 179 A HN 0.662 nan 8.150 nan 0.000 0.429 180 I N 1.645 122.031 120.570 -0.308 0.000 2.353 180 I HA 0.520 4.690 4.170 0.001 0.000 0.293 180 I C -0.640 175.344 176.117 -0.222 0.000 0.992 180 I CA -0.781 60.328 61.300 -0.317 0.000 1.268 180 I CB 1.528 39.247 38.000 -0.469 0.000 1.387 180 I HN 0.278 nan 8.210 nan 0.000 0.478 181 V N 4.524 124.371 119.914 -0.111 0.000 2.686 181 V HA 0.627 4.748 4.120 0.001 0.000 0.306 181 V C 0.204 176.360 176.094 0.104 0.000 1.065 181 V CA -0.381 61.846 62.300 -0.121 0.000 0.894 181 V CB 2.155 33.741 31.823 -0.395 0.000 1.004 181 V HN 0.912 nan 8.190 nan 0.000 0.424 182 G N 4.103 113.019 108.800 0.193 0.000 2.389 182 G HA2 0.812 4.772 3.960 0.001 0.000 0.317 182 G HA3 0.812 4.772 3.960 0.001 0.000 0.317 182 G C -1.186 173.865 174.900 0.252 0.000 1.137 182 G CA -0.358 44.784 45.100 0.070 0.000 0.870 182 G HN 0.879 nan 8.290 nan 0.000 0.496 183 F N -1.552 118.438 119.950 0.066 0.000 2.770 183 F HA 0.500 5.028 4.527 0.002 0.000 0.313 183 F C -1.143 174.656 175.800 -0.001 0.000 1.154 183 F CA -1.707 56.329 58.000 0.061 0.000 0.923 183 F CB 0.999 40.016 39.000 0.028 0.000 1.301 183 F HN 0.403 nan 8.300 nan 0.000 0.449 184 N N 0.905 119.693 118.700 0.147 0.000 2.400 184 N HA 0.655 5.395 4.740 0.001 0.000 0.288 184 N C -1.192 174.108 175.510 -0.350 0.000 1.024 184 N CA -1.019 51.981 53.050 -0.083 0.000 0.894 184 N CB 1.762 40.202 38.487 -0.079 0.000 1.173 184 N HN 0.447 nan 8.380 nan 0.000 0.487 185 R N 1.298 121.579 120.500 -0.364 0.000 2.856 185 R HA 0.593 4.934 4.340 0.001 0.000 0.258 185 R C -0.920 175.047 176.300 -0.554 0.000 1.066 185 R CA -0.671 55.136 56.100 -0.488 0.000 1.045 185 R CB 1.458 31.679 30.300 -0.133 0.000 1.178 185 R HN 0.420 nan 8.270 nan 0.000 0.499 186 F N -0.246 119.732 119.950 0.045 0.000 2.576 186 F HA 0.268 4.795 4.527 0.001 0.000 0.313 186 F C 0.640 176.451 175.800 0.018 0.000 1.078 186 F CA -0.872 57.144 58.000 0.026 0.000 0.921 186 F CB 1.971 40.986 39.000 0.025 0.000 1.232 186 F HN 0.583 nan 8.300 nan 0.000 0.459 187 D N 1.211 121.743 120.400 0.220 0.000 2.799 187 D HA 0.255 4.895 4.640 0.001 0.000 0.267 187 D C 1.095 177.445 176.300 0.084 0.000 1.468 187 D CA 0.673 54.739 54.000 0.110 0.000 1.077 187 D CB -0.202 40.645 40.800 0.077 0.000 1.065 187 D HN 0.497 nan 8.370 nan 0.000 0.359 188 A N -0.039 122.819 122.820 0.063 0.000 1.853 188 A HA 0.110 4.431 4.320 0.001 0.000 0.204 188 A C 0.372 177.971 177.584 0.025 0.000 1.724 188 A CA 0.041 52.102 52.037 0.040 0.000 1.105 188 A CB 0.273 19.288 19.000 0.024 0.000 1.101 188 A HN 0.004 nan 8.150 nan 0.000 0.495 189 D N 1.623 122.035 120.400 0.019 0.000 2.870 189 D HA 0.356 4.997 4.640 0.001 0.000 0.241 189 D C 1.035 177.318 176.300 -0.027 0.000 1.234 189 D CA 0.672 54.669 54.000 -0.005 0.000 0.844 189 D CB -0.641 40.156 40.800 -0.005 0.000 1.051 189 D HN 0.494 nan 8.370 nan 0.000 0.469 190 G N 1.697 110.487 108.800 -0.016 0.000 2.379 190 G HA2 -0.331 3.630 3.960 0.001 0.000 0.281 190 G HA3 -0.331 3.630 3.960 0.001 0.000 0.281 190 G C 0.394 175.214 174.900 -0.134 0.000 0.855 190 G CA 0.202 45.248 45.100 -0.090 0.000 1.105 190 G HN 0.298 nan 8.290 nan 0.000 0.482 191 N N -0.069 118.669 118.700 0.064 0.000 2.515 191 N HA 0.182 4.923 4.740 0.001 0.000 0.279 191 N C 0.471 176.181 175.510 0.334 0.000 1.164 191 N CA -0.363 52.748 53.050 0.102 0.000 0.982 191 N CB 0.699 39.229 38.487 0.071 0.000 1.170 191 N HN 0.257 nan 8.380 nan 0.000 0.474 192 K N 1.748 122.324 120.400 0.293 0.000 2.416 192 K HA 0.172 4.493 4.320 0.001 0.000 0.283 192 K C -0.377 176.326 176.600 0.171 0.000 1.037 192 K CA 0.119 56.616 56.287 0.351 0.000 0.995 192 K CB 0.623 33.257 32.500 0.223 0.000 0.938 192 K HN 0.347 nan 8.250 nan 0.000 0.475 193 I N 4.592 125.219 120.570 0.095 0.000 2.390 193 I HA 0.043 4.213 4.170 0.001 0.000 0.283 193 I C -0.433 175.654 176.117 -0.050 0.000 1.016 193 I CA -0.912 60.391 61.300 0.006 0.000 1.151 193 I CB 0.164 38.147 38.000 -0.027 0.000 1.293 193 I HN 0.501 nan 8.210 nan 0.000 0.458 194 Y N 6.531 126.701 120.300 -0.217 0.000 2.480 194 Y HA 0.372 4.923 4.550 0.001 0.000 0.341 194 Y C 0.040 175.589 175.900 -0.585 0.000 1.031 194 Y CA -0.294 57.584 58.100 -0.371 0.000 1.295 194 Y CB 0.559 38.839 38.460 -0.301 0.000 1.162 194 Y HN 0.548 nan 8.280 nan 0.000 0.523 195 S N 5.785 120.875 115.700 -1.016 0.000 2.599 195 S HA 0.697 5.168 4.470 0.001 0.000 0.294 195 S C -1.455 172.079 174.600 -1.777 0.000 1.094 195 S CA -0.657 56.795 58.200 -1.245 0.000 0.931 195 S CB 1.445 64.159 63.200 -0.811 0.000 1.093 195 S HN 0.414 nan 8.310 nan 0.000 0.488 196 F N 0.589 119.997 119.950 -0.903 0.000 2.522 196 F HA 0.745 5.273 4.527 0.001 0.000 0.324 196 F C 0.778 176.459 175.800 -0.197 0.000 1.077 196 F CA -0.590 57.050 58.000 -0.599 0.000 0.944 196 F CB 1.941 40.726 39.000 -0.359 0.000 1.175 196 F HN 0.733 nan 8.300 nan 0.000 0.468 197 G N 1.132 110.065 108.800 0.221 0.000 2.590 197 G HA2 0.580 4.540 3.960 0.001 0.000 0.310 197 G HA3 0.580 4.540 3.960 0.001 0.000 0.310 197 G C -1.866 173.001 174.900 -0.055 0.000 1.347 197 G CA -0.736 44.484 45.100 0.200 0.000 0.963 197 G HN 0.469 nan 8.290 nan 0.000 0.494 198 V N 3.457 123.226 119.914 -0.241 0.000 2.407 198 V HA 0.548 4.669 4.120 0.001 0.000 0.278 198 V C 0.382 176.356 176.094 -0.201 0.000 1.037 198 V CA -0.436 61.654 62.300 -0.349 0.000 0.900 198 V CB 0.748 32.174 31.823 -0.662 0.000 0.983 198 V HN 0.715 nan 8.190 nan 0.000 0.459 199 I N 3.768 124.302 120.570 -0.060 0.000 2.647 199 I HA 0.729 4.900 4.170 0.001 0.000 0.295 199 I C -2.782 173.478 176.117 0.238 0.000 1.078 199 I CA -2.688 58.644 61.300 0.052 0.000 1.048 199 I CB 2.850 40.861 38.000 0.018 0.000 1.239 199 I HN 0.347 nan 8.210 nan 0.000 0.421 200 P HA 0.152 nan 4.420 nan 0.000 0.275 200 P C 0.083 177.263 177.300 -0.200 0.000 1.228 200 P CA -0.298 62.741 63.100 -0.102 0.000 0.786 200 P CB 1.287 32.935 31.700 -0.087 0.000 0.927 201 R N 2.767 122.998 120.500 -0.447 0.000 2.170 201 R HA -0.172 4.169 4.340 0.001 0.000 0.242 201 R C 2.028 177.908 176.300 -0.700 0.000 1.145 201 R CA 2.474 58.150 56.100 -0.707 0.000 0.984 201 R CB -1.283 28.731 30.300 -0.478 0.000 0.869 201 R HN 0.574 nan 8.270 nan 0.000 0.455 202 S N -0.906 114.558 115.700 -0.394 0.000 2.447 202 S HA -0.063 4.408 4.470 0.001 0.000 0.233 202 S C 1.033 175.507 174.600 -0.210 0.000 1.006 202 S CA 1.078 59.120 58.200 -0.264 0.000 0.957 202 S CB -0.044 63.060 63.200 -0.159 0.000 0.773 202 S HN 0.274 nan 8.310 nan 0.000 0.507 203 D N 0.829 121.126 120.400 -0.173 0.000 2.349 203 D HA 0.209 4.850 4.640 0.001 0.000 0.224 203 D C -0.105 176.252 176.300 0.094 0.000 1.029 203 D CA 0.282 54.277 54.000 -0.008 0.000 0.879 203 D CB 0.055 40.892 40.800 0.062 0.000 0.906 203 D HN 0.783 nan 8.370 nan 0.000 0.528 204 Y N -2.003 118.278 120.300 -0.033 0.000 2.581 204 Y HA 0.467 5.018 4.550 0.001 0.000 0.337 204 Y C -0.808 175.086 175.900 -0.011 0.000 1.108 204 Y CA -1.463 56.628 58.100 -0.015 0.000 1.033 204 Y CB 0.830 39.280 38.460 -0.016 0.000 1.318 204 Y HN -0.302 nan 8.280 nan 0.000 0.459 205 E N 2.968 123.281 120.200 0.187 0.000 2.216 205 E HA 0.465 4.816 4.350 0.001 0.000 0.279 205 E C -1.210 175.508 176.600 0.196 0.000 0.997 205 E CA -0.832 55.635 56.400 0.111 0.000 0.817 205 E CB 1.073 30.817 29.700 0.075 0.000 1.096 205 E HN 0.772 nan 8.360 nan 0.000 0.393 206 I N 4.627 125.279 120.570 0.136 0.000 2.337 206 I HA 0.088 4.259 4.170 0.001 0.000 0.291 206 I C -0.414 175.751 176.117 0.079 0.000 1.046 206 I CA -0.501 60.877 61.300 0.129 0.000 1.324 206 I CB 1.177 39.233 38.000 0.095 0.000 1.409 206 I HN 0.279 nan 8.210 nan 0.000 0.494 207 V N 5.815 125.777 119.914 0.080 0.000 2.407 207 V HA 0.110 4.230 4.120 0.001 0.000 0.278 207 V C 0.080 176.207 176.094 0.055 0.000 1.037 207 V CA -0.421 61.917 62.300 0.063 0.000 0.900 207 V CB 1.607 33.468 31.823 0.063 0.000 0.983 207 V HN 0.613 nan 8.190 nan 0.000 0.459 208 D N 4.225 124.660 120.400 0.058 0.000 2.522 208 D HA 0.125 4.766 4.640 0.001 0.000 0.218 208 D C 0.699 177.053 176.300 0.090 0.000 1.149 208 D CA -0.335 53.696 54.000 0.050 0.000 0.981 208 D CB 0.122 40.945 40.800 0.039 0.000 1.041 208 D HN 0.643 nan 8.370 nan 0.000 0.518 209 N N 1.947 120.697 118.700 0.083 0.000 2.234 209 N HA -0.018 4.723 4.740 0.001 0.000 0.227 209 N C -0.173 175.390 175.510 0.087 0.000 1.151 209 N CA -0.659 52.478 53.050 0.144 0.000 0.865 209 N CB -0.428 38.105 38.487 0.076 0.000 1.066 209 N HN 0.398 nan 8.380 nan 0.000 0.515 210 W N 1.836 122.948 121.300 -0.314 0.000 2.072 210 W HA 0.283 4.944 4.660 0.001 0.000 0.413 210 W C -1.685 174.497 176.519 -0.561 0.000 0.865 210 W CA -0.548 56.574 57.345 -0.372 0.000 1.579 210 W CB -0.076 29.208 29.460 -0.294 0.000 1.720 210 W HN -0.030 nan 8.180 nan 0.000 0.301 211 Y N 4.120 124.156 120.300 -0.439 0.000 2.575 211 Y HA 0.502 5.053 4.550 0.001 0.000 0.326 211 Y C 0.521 176.069 175.900 -0.587 0.000 0.979 211 Y CA -0.511 57.310 58.100 -0.466 0.000 1.286 211 Y CB 0.542 38.865 38.460 -0.228 0.000 1.093 211 Y HN 0.307 nan 8.280 nan 0.000 0.501 212 A N 1.472 123.820 122.820 -0.787 0.000 2.309 212 A HA 0.649 4.969 4.320 0.001 0.000 0.317 212 A C 0.429 177.817 177.584 -0.326 0.000 1.134 212 A CA -0.612 51.024 52.037 -0.668 0.000 0.866 212 A CB 1.443 19.725 19.000 -1.196 0.000 1.329 212 A HN 0.561 nan 8.150 nan 0.000 0.477 213 Q N -0.992 118.695 119.800 -0.189 0.000 2.194 213 Q HA 0.449 4.790 4.340 0.001 0.000 0.214 213 Q C -0.262 175.708 176.000 -0.050 0.000 0.838 213 Q CA 0.617 56.367 55.803 -0.087 0.000 0.972 213 Q CB 1.087 29.802 28.738 -0.039 0.000 1.131 213 Q HN 0.851 nan 8.270 nan 0.000 0.498 214 A N 0.011 122.799 122.820 -0.054 0.000 2.594 214 A HA 0.575 4.896 4.320 0.001 0.000 0.295 214 A C -0.203 177.408 177.584 0.045 0.000 1.071 214 A CA -0.646 51.389 52.037 -0.003 0.000 0.685 214 A CB 0.727 19.725 19.000 -0.004 0.000 1.285 214 A HN 0.255 nan 8.150 nan 0.000 0.405 215 I N 0.446 121.048 120.570 0.053 0.000 6.532 215 I HA -0.321 3.849 4.170 0.001 0.000 0.126 215 I C 1.534 177.817 176.117 0.277 0.000 1.811 215 I CA 0.855 62.203 61.300 0.081 0.000 2.115 215 I CB -1.230 36.703 38.000 -0.112 0.000 3.474 215 I HN 0.893 nan 8.210 nan 0.000 0.192 216 K N 0.967 121.490 120.400 0.205 0.000 2.103 216 K HA -0.174 4.146 4.320 0.001 0.000 0.207 216 K C 1.952 178.807 176.600 0.425 0.000 1.048 216 K CA 1.892 58.326 56.287 0.246 0.000 0.930 216 K CB -0.133 32.402 32.500 0.058 0.000 0.716 216 K HN 0.738 nan 8.250 nan 0.000 0.444 217 S N 0.527 116.380 115.700 0.254 0.000 2.603 217 S HA -0.046 4.425 4.470 0.001 0.000 0.229 217 S C 1.697 176.412 174.600 0.192 0.000 0.972 217 S CA 0.863 59.187 58.200 0.206 0.000 0.935 217 S CB -0.179 63.107 63.200 0.143 0.000 0.769 217 S HN 0.247 nan 8.310 nan 0.000 0.536 218 S N 0.698 116.502 115.700 0.174 0.000 2.562 218 S HA 0.331 4.802 4.470 0.001 0.000 0.221 218 S C 1.577 176.115 174.600 -0.104 0.000 0.975 218 S CA 0.245 58.481 58.200 0.061 0.000 0.918 218 S CB -1.058 62.111 63.200 -0.052 0.000 0.772 218 S HN 1.335 nan 8.310 nan 0.000 0.531 219 G N 1.482 110.158 108.800 -0.207 0.000 2.356 219 G HA2 -0.262 3.699 3.960 0.001 0.000 0.296 219 G HA3 -0.262 3.699 3.960 0.001 0.000 0.296 219 G C 0.143 174.666 174.900 -0.627 0.000 1.022 219 G CA 0.356 45.248 45.100 -0.346 0.000 0.961 219 G HN 0.608 nan 8.290 nan 0.000 0.510 220 S N -0.046 114.812 115.700 -1.402 0.000 3.864 220 S HA 0.247 4.718 4.470 0.001 0.000 0.202 220 S C 1.147 175.391 174.600 -0.594 0.000 1.402 220 S CA 0.277 57.899 58.200 -0.964 0.000 1.072 220 S CB 0.171 62.696 63.200 -1.125 0.000 1.383 220 S HN 0.641 nan 8.310 nan 0.000 0.458 221 K N 1.619 121.838 120.400 -0.302 0.000 2.132 221 K HA 0.291 4.611 4.320 0.001 0.000 0.240 221 K C 0.295 176.876 176.600 -0.033 0.000 1.036 221 K CA -0.059 56.176 56.287 -0.086 0.000 0.888 221 K CB 0.337 32.819 32.500 -0.030 0.000 1.071 221 K HN 0.311 nan 8.250 nan 0.000 0.502 222 M N 2.518 122.125 119.600 0.010 0.000 2.336 222 M HA 0.300 4.781 4.480 0.001 0.000 0.342 222 M C -1.477 174.879 176.300 0.093 0.000 1.128 222 M CA -0.634 54.698 55.300 0.053 0.000 1.016 222 M CB 0.734 33.349 32.600 0.025 0.000 1.665 222 M HN 0.409 nan 8.290 nan 0.000 0.445 223 L N 4.589 125.885 121.223 0.121 0.000 2.292 223 L HA 0.469 4.810 4.340 0.001 0.000 0.284 223 L C -0.048 176.922 176.870 0.167 0.000 1.065 223 L CA -0.369 54.532 54.840 0.102 0.000 0.806 223 L CB 0.814 42.797 42.059 -0.127 0.000 1.175 223 L HN 0.680 nan 8.230 nan 0.000 0.431 224 K N 3.457 123.963 120.400 0.177 0.000 2.235 224 K HA 0.589 4.910 4.320 0.001 0.000 0.266 224 K C -1.474 175.235 176.600 0.182 0.000 0.980 224 K CA -0.754 55.635 56.287 0.169 0.000 0.849 224 K CB 1.259 33.833 32.500 0.124 0.000 1.098 224 K HN 0.372 nan 8.250 nan 0.000 0.445 225 L N 4.553 125.883 121.223 0.180 0.000 2.319 225 L HA 0.348 4.689 4.340 0.001 0.000 0.281 225 L C -1.045 175.894 176.870 0.114 0.000 1.005 225 L CA -0.633 54.296 54.840 0.149 0.000 0.828 225 L CB 1.893 44.038 42.059 0.143 0.000 1.227 225 L HN 0.277 nan 8.230 nan 0.000 0.415 226 V N 3.047 123.015 119.914 0.090 0.000 2.350 226 V HA 0.329 4.450 4.120 0.001 0.000 0.285 226 V C 0.385 176.512 176.094 0.055 0.000 1.014 226 V CA -0.900 61.440 62.300 0.067 0.000 0.831 226 V CB 0.900 32.756 31.823 0.056 0.000 1.000 226 V HN 0.882 nan 8.190 nan 0.000 0.433 227 N N 1.805 120.534 118.700 0.050 0.000 2.716 227 N HA -0.150 4.590 4.740 0.001 0.000 0.250 227 N C -0.036 175.509 175.510 0.059 0.000 1.033 227 N CA -0.024 53.054 53.050 0.047 0.000 0.727 227 N CB -0.462 38.050 38.487 0.041 0.000 0.950 227 N HN 0.518 nan 8.380 nan 0.000 0.541 228 V N 1.638 121.579 119.914 0.044 0.000 2.446 228 V HA 0.056 4.177 4.120 0.001 0.000 0.276 228 V C 0.386 176.500 176.094 0.034 0.000 1.030 228 V CA 0.007 62.330 62.300 0.037 0.000 1.033 228 V CB -0.057 31.767 31.823 0.002 0.000 0.993 228 V HN 0.217 nan 8.190 nan 0.000 0.477 229 F N 7.155 127.073 119.950 -0.052 0.000 2.427 229 F HA 0.609 5.137 4.527 0.001 0.000 0.352 229 F C 0.012 175.758 175.800 -0.089 0.000 1.100 229 F CA -0.387 57.571 58.000 -0.069 0.000 1.191 229 F CB 0.558 39.529 39.000 -0.047 0.000 1.128 229 F HN 0.347 nan 8.300 nan 0.000 0.533 230 I N 8.427 128.256 120.570 -1.235 0.000 2.439 230 I HA 0.316 4.486 4.170 0.001 0.000 0.285 230 I C -2.311 173.010 176.117 -1.327 0.000 1.021 230 I CA -2.278 58.387 61.300 -1.058 0.000 1.091 230 I CB 1.700 39.370 38.000 -0.549 0.000 1.242 230 I HN 0.429 nan 8.210 nan 0.000 0.439 231 P HA 0.073 nan 4.420 nan 0.000 0.274 231 P C 0.346 177.439 177.300 -0.345 0.000 1.231 231 P CA -0.122 62.682 63.100 -0.493 0.000 0.790 231 P CB 1.303 32.892 31.700 -0.184 0.000 0.951 232 E N 1.864 122.013 120.200 -0.085 0.000 2.273 232 E HA -0.224 4.127 4.350 0.001 0.000 0.198 232 E C 1.429 178.040 176.600 0.018 0.000 1.002 232 E CA 1.688 58.079 56.400 -0.015 0.000 0.828 232 E CB -0.921 28.816 29.700 0.062 0.000 0.747 232 E HN 0.623 nan 8.360 nan 0.000 0.491 233 Y N -1.854 118.446 120.300 -0.000 0.000 2.511 233 Y HA 0.300 4.851 4.550 0.001 0.000 0.279 233 Y C 0.982 176.916 175.900 0.057 0.000 1.157 233 Y CA 0.071 58.180 58.100 0.015 0.000 1.300 233 Y CB 0.114 38.578 38.460 0.008 0.000 1.052 233 Y HN -0.126 nan 8.280 nan 0.000 0.529 234 R N 1.067 121.353 120.500 -0.357 0.000 2.466 234 R HA 0.388 4.729 4.340 0.001 0.000 0.279 234 R C -0.762 175.606 176.300 0.114 0.000 0.976 234 R CA 0.006 55.985 56.100 -0.202 0.000 1.081 234 R CB 0.221 30.228 30.300 -0.488 0.000 1.215 234 R HN 0.324 nan 8.270 nan 0.000 0.546 235 I N 0.515 121.162 120.570 0.129 0.000 2.439 235 I HA 0.197 4.368 4.170 0.001 0.000 0.285 235 I C -0.344 175.720 176.117 -0.089 0.000 1.021 235 I CA -0.403 60.965 61.300 0.114 0.000 1.091 235 I CB 2.192 40.230 38.000 0.064 0.000 1.242 235 I HN -0.122 nan 8.210 nan 0.000 0.439 236 S N 5.043 120.565 115.700 -0.296 0.000 2.536 236 S HA 0.477 4.947 4.470 0.001 0.000 0.298 236 S C -0.471 173.874 174.600 -0.425 0.000 1.083 236 S CA -0.844 57.040 58.200 -0.526 0.000 0.995 236 S CB 1.725 64.279 63.200 -1.076 0.000 1.058 236 S HN 0.392 nan 8.310 nan 0.000 0.488 237 K N 1.697 121.881 120.400 -0.361 0.000 2.350 237 K HA 0.258 4.579 4.320 0.001 0.000 0.279 237 K C 1.156 177.547 176.600 -0.349 0.000 1.027 237 K CA -0.118 55.960 56.287 -0.350 0.000 0.969 237 K CB 0.700 33.062 32.500 -0.230 0.000 0.954 237 K HN 0.665 nan 8.250 nan 0.000 0.474 238 A N 4.110 126.661 122.820 -0.448 0.000 1.883 238 A HA -0.222 4.099 4.320 0.001 0.000 0.217 238 A C 2.113 179.689 177.584 -0.014 0.000 1.186 238 A CA 1.660 53.538 52.037 -0.264 0.000 0.624 238 A CB -0.318 18.475 19.000 -0.346 0.000 0.822 238 A HN 0.871 nan 8.150 nan 0.000 0.444 239 K N -0.591 119.791 120.400 -0.029 0.000 2.074 239 K HA -0.248 4.073 4.320 0.001 0.000 0.209 239 K C 1.412 177.997 176.600 -0.026 0.000 1.048 239 K CA 1.927 58.223 56.287 0.016 0.000 0.926 239 K CB -0.306 32.184 32.500 -0.016 0.000 0.713 239 K HN 0.388 nan 8.250 nan 0.000 0.444 240 D N 0.351 120.690 120.400 -0.101 0.000 2.149 240 D HA -0.166 4.475 4.640 0.001 0.000 0.198 240 D C 1.722 177.953 176.300 -0.115 0.000 0.990 240 D CA 1.389 55.301 54.000 -0.147 0.000 0.839 240 D CB -0.029 40.655 40.800 -0.193 0.000 0.948 240 D HN 0.342 nan 8.370 nan 0.000 0.460 241 M N -0.878 118.682 119.600 -0.067 0.000 2.558 241 M HA 0.078 4.559 4.480 0.001 0.000 0.255 241 M C 1.445 177.925 176.300 0.299 0.000 1.113 241 M CA 0.396 55.716 55.300 0.033 0.000 1.097 241 M CB 0.239 32.753 32.600 -0.143 0.000 1.426 241 M HN -0.052 nan 8.290 nan 0.000 0.488 242 M N -0.252 119.519 119.600 0.285 0.000 2.447 242 M HA 0.018 4.499 4.480 0.001 0.000 0.264 242 M C 0.672 177.119 176.300 0.244 0.000 1.095 242 M CA 1.327 56.828 55.300 0.334 0.000 1.125 242 M CB -0.328 32.438 32.600 0.277 0.000 1.389 242 M HN 0.245 nan 8.290 nan 0.000 0.459 243 E N -0.530 119.664 120.200 -0.009 0.000 2.758 243 E HA 0.291 4.642 4.350 0.001 0.000 0.215 243 E C 0.308 176.448 176.600 -0.768 0.000 0.985 243 E CA -0.189 55.987 56.400 -0.374 0.000 1.102 243 E CB 0.589 30.133 29.700 -0.260 0.000 1.042 243 E HN 0.474 nan 8.360 nan 0.000 0.480 244 G N 2.587 111.101 108.800 -0.477 0.000 2.370 244 G HA2 -0.328 3.633 3.960 0.001 0.000 0.293 244 G HA3 -0.328 3.633 3.960 0.001 0.000 0.293 244 G C 0.393 174.691 174.900 -1.004 0.000 0.992 244 G CA 0.797 45.575 45.100 -0.536 0.000 1.247 244 G HN 0.245 nan 8.290 nan 0.000 0.505 245 K N -0.705 119.381 120.400 -0.523 0.000 2.554 245 K HA 0.181 4.502 4.320 0.001 0.000 0.211 245 K C 1.401 177.856 176.600 -0.242 0.000 1.226 245 K CA 0.410 56.438 56.287 -0.431 0.000 1.025 245 K CB 0.596 32.893 32.500 -0.338 0.000 1.021 245 K HN 0.619 nan 8.250 nan 0.000 0.600 246 S N -0.033 115.552 115.700 -0.191 0.000 2.600 246 S HA 0.256 4.727 4.470 0.001 0.000 0.265 246 S C 1.470 175.993 174.600 -0.127 0.000 1.325 246 S CA -0.024 58.061 58.200 -0.191 0.000 1.002 246 S CB 1.500 64.549 63.200 -0.252 0.000 0.921 246 S HN 0.183 nan 8.310 nan 0.000 0.554 247 A N 1.327 124.054 122.820 -0.156 0.000 2.084 247 A HA 0.107 4.428 4.320 0.001 0.000 0.221 247 A C 1.938 179.483 177.584 -0.065 0.000 1.161 247 A CA 1.521 53.503 52.037 -0.092 0.000 0.653 247 A CB -1.483 17.469 19.000 -0.081 0.000 0.802 247 A HN 1.210 nan 8.150 nan 0.000 0.457 248 G N -2.126 106.625 108.800 -0.081 0.000 3.088 248 G HA2 0.297 4.258 3.960 0.001 0.000 0.217 248 G HA3 0.297 4.258 3.960 0.001 0.000 0.217 248 G C 0.218 175.040 174.900 -0.130 0.000 1.159 248 G CA -0.375 44.665 45.100 -0.100 0.000 0.760 248 G HN 0.357 nan 8.290 nan 0.000 0.550 249 F N 1.514 121.331 119.950 -0.221 0.000 2.529 249 F HA 0.416 4.944 4.527 0.001 0.000 0.365 249 F C 1.399 177.050 175.800 -0.250 0.000 1.102 249 F CA 1.162 58.999 58.000 -0.272 0.000 1.271 249 F CB 1.015 39.871 39.000 -0.240 0.000 1.120 249 F HN 0.192 nan 8.300 nan 0.000 0.579 250 G N 4.893 113.080 108.800 -1.023 0.000 2.199 250 G HA2 -0.326 3.635 3.960 0.001 0.000 0.254 250 G HA3 -0.326 3.635 3.960 0.001 0.000 0.254 250 G C 1.074 175.784 174.900 -0.317 0.000 0.982 250 G CA 0.355 45.098 45.100 -0.596 0.000 0.632 250 G HN 0.713 nan 8.290 nan 0.000 0.529 251 L N -1.065 119.889 121.223 -0.449 0.000 2.127 251 L HA 0.038 4.378 4.340 0.001 0.000 0.211 251 L C 0.999 177.448 176.870 -0.702 0.000 1.089 251 L CA 1.215 55.651 54.840 -0.674 0.000 0.757 251 L CB -0.127 41.273 42.059 -1.098 0.000 0.899 251 L HN 0.400 nan 8.230 nan 0.000 0.434 252 Y N -2.106 118.238 120.300 0.074 0.000 2.658 252 Y HA 0.299 4.850 4.550 0.001 0.000 0.362 252 Y C -1.837 174.203 175.900 0.233 0.000 1.017 252 Y CA -2.743 55.459 58.100 0.170 0.000 1.134 252 Y CB -0.069 38.569 38.460 0.296 0.000 1.144 252 Y HN -0.070 nan 8.280 nan 0.000 0.655 253 P HA -0.063 nan 4.420 nan 0.000 0.234 253 P C 0.710 178.093 177.300 0.139 0.000 1.167 253 P CA 1.355 64.552 63.100 0.162 0.000 0.763 253 P CB 0.529 32.285 31.700 0.093 0.000 0.835 254 D N -1.994 118.504 120.400 0.163 0.000 2.433 254 D HA 0.063 4.704 4.640 0.001 0.000 0.211 254 D C 0.377 176.750 176.300 0.123 0.000 1.114 254 D CA 0.305 54.364 54.000 0.098 0.000 0.837 254 D CB 0.273 41.115 40.800 0.070 0.000 0.984 254 D HN 0.036 nan 8.370 nan 0.000 0.505 255 S N 0.315 116.147 115.700 0.220 0.000 2.565 255 S HA 0.128 4.599 4.470 0.001 0.000 0.276 255 S C 0.992 175.689 174.600 0.162 0.000 1.326 255 S CA -0.243 58.052 58.200 0.158 0.000 1.045 255 S CB 1.016 64.369 63.200 0.255 0.000 0.918 255 S HN -0.057 nan 8.310 nan 0.000 0.505 256 K N 3.352 123.772 120.400 0.034 0.000 2.417 256 K HA 0.242 4.563 4.320 0.001 0.000 0.196 256 K C 0.945 177.573 176.600 0.046 0.000 1.023 256 K CA 0.396 56.722 56.287 0.065 0.000 1.122 256 K CB -0.141 32.374 32.500 0.025 0.000 0.850 256 K HN 0.799 nan 8.250 nan 0.000 0.521 257 I N -5.296 115.207 120.570 -0.111 0.000 4.655 257 I HA 0.210 4.380 4.170 0.001 0.000 0.333 257 I C 0.655 176.633 176.117 -0.231 0.000 1.312 257 I CA -0.204 60.984 61.300 -0.187 0.000 1.270 257 I CB 0.349 38.207 38.000 -0.238 0.000 1.318 257 I HN -0.217 nan 8.210 nan 0.000 0.456 258 F N 1.018 121.023 119.950 0.091 0.000 2.619 258 F HA 0.267 4.795 4.527 0.001 0.000 0.293 258 F C 0.888 176.691 175.800 0.005 0.000 1.119 258 F CA -0.006 57.982 58.000 -0.020 0.000 1.445 258 F CB -0.556 38.477 39.000 0.056 0.000 1.119 258 F HN -0.035 nan 8.300 nan 0.000 0.573 259 Y N 0.620 120.917 120.300 -0.005 0.000 2.724 259 Y HA 0.355 4.906 4.550 0.001 0.000 0.354 259 Y C 0.504 176.233 175.900 -0.285 0.000 1.270 259 Y CA 0.031 58.111 58.100 -0.033 0.000 1.902 259 Y CB -0.048 38.243 38.460 -0.282 0.000 1.981 259 Y HN -0.212 nan 8.280 nan 0.000 0.428 260 T N 1.328 115.733 114.554 -0.247 0.000 2.977 260 T HA 0.237 4.588 4.350 0.001 0.000 0.345 260 T C -3.022 171.687 174.700 0.016 0.000 1.562 260 T CA -1.631 60.257 62.100 -0.354 0.000 1.090 260 T CB 1.351 70.197 68.868 -0.038 0.000 1.383 260 T HN -0.079 nan 8.240 nan 0.000 0.484 261 P HA 0.136 nan 4.420 nan 0.000 0.264 261 P C 0.397 177.894 177.300 0.328 0.000 1.193 261 P CA -0.097 63.233 63.100 0.383 0.000 0.763 261 P CB 0.021 31.937 31.700 0.361 0.000 0.810 262 Y N 4.504 124.961 120.300 0.261 0.000 2.207 262 Y HA -0.215 4.336 4.550 0.001 0.000 0.287 262 Y C 2.272 178.360 175.900 0.314 0.000 1.156 262 Y CA 1.247 59.500 58.100 0.255 0.000 1.182 262 Y CB -0.562 37.965 38.460 0.112 0.000 0.979 262 Y HN 0.167 nan 8.280 nan 0.000 0.521 263 R N 0.948 120.973 120.500 -0.792 0.000 2.066 263 R HA -0.025 4.316 4.340 0.001 0.000 0.232 263 R C -0.603 175.674 176.300 -0.038 0.000 1.131 263 R CA 1.596 57.323 56.100 -0.621 0.000 0.955 263 R CB -1.188 28.783 30.300 -0.549 0.000 0.851 263 R HN 0.311 nan 8.270 nan 0.000 0.432 264 P HA -0.176 nan 4.420 nan 0.000 0.217 264 P C 0.369 177.642 177.300 -0.045 0.000 1.148 264 P CA 1.350 64.579 63.100 0.215 0.000 0.828 264 P CB -0.048 31.944 31.700 0.486 0.000 0.783 265 Y N -1.680 118.486 120.300 -0.224 0.000 2.130 265 Y HA -0.114 4.437 4.550 0.001 0.000 0.287 265 Y C 2.340 178.008 175.900 -0.386 0.000 1.124 265 Y CA 1.171 58.988 58.100 -0.472 0.000 1.118 265 Y CB -1.589 36.326 38.460 -0.909 0.000 0.994 265 Y HN -0.092 nan 8.280 nan 0.000 0.497 266 F N 0.751 120.594 119.950 -0.179 0.000 2.120 266 F HA -0.231 4.297 4.527 0.001 0.000 0.300 266 F C 1.999 177.512 175.800 -0.478 0.000 1.095 266 F CA 1.697 59.556 58.000 -0.233 0.000 1.249 266 F CB -0.574 38.411 39.000 -0.024 0.000 0.995 266 F HN -0.072 nan 8.300 nan 0.000 0.480 267 A N -0.206 121.986 122.820 -1.046 0.000 2.278 267 A HA 0.113 4.434 4.320 0.001 0.000 0.212 267 A C 2.117 179.122 177.584 -0.965 0.000 1.213 267 A CA 0.703 51.904 52.037 -1.395 0.000 0.840 267 A CB -1.265 16.804 19.000 -1.552 0.000 0.866 267 A HN 0.537 nan 8.150 nan 0.000 0.489 268 S N -0.738 114.546 115.700 -0.693 0.000 2.447 268 S HA 0.005 4.475 4.470 0.001 0.000 0.233 268 S C 1.848 176.176 174.600 -0.454 0.000 1.006 268 S CA 1.190 59.114 58.200 -0.461 0.000 0.957 268 S CB -0.593 62.315 63.200 -0.487 0.000 0.773 268 S HN 0.542 nan 8.310 nan 0.000 0.507 269 G N 0.630 108.991 108.800 -0.732 0.000 2.422 269 G HA2 0.027 3.988 3.960 0.001 0.000 0.218 269 G HA3 0.027 3.988 3.960 0.001 0.000 0.218 269 G C 0.979 175.548 174.900 -0.552 0.000 1.140 269 G CA 0.681 45.390 45.100 -0.651 0.000 0.775 269 G HN 0.537 nan 8.290 nan 0.000 0.545 270 F N 2.623 122.299 119.950 -0.457 0.000 2.031 270 F HA -0.100 4.428 4.527 0.001 0.000 0.295 270 F C 3.180 178.937 175.800 -0.071 0.000 1.133 270 F CA 1.311 59.078 58.000 -0.389 0.000 1.188 270 F CB -1.176 37.591 39.000 -0.388 0.000 0.974 270 F HN 0.215 nan 8.300 nan 0.000 0.473 271 S N 0.667 116.466 115.700 0.164 0.000 2.374 271 S HA -0.259 4.212 4.470 0.001 0.000 0.227 271 S C 2.243 176.927 174.600 0.141 0.000 1.037 271 S CA 1.046 59.338 58.200 0.153 0.000 1.024 271 S CB -1.365 61.927 63.200 0.154 0.000 0.861 271 S HN 0.359 nan 8.310 nan 0.000 0.456 272 A N 2.089 124.975 122.820 0.110 0.000 1.841 272 A HA -0.023 4.298 4.320 0.001 0.000 0.216 272 A C 2.486 180.109 177.584 0.066 0.000 1.199 272 A CA 1.934 54.029 52.037 0.097 0.000 0.621 272 A CB -1.422 17.528 19.000 -0.083 0.000 0.835 272 A HN 0.439 nan 8.150 nan 0.000 0.445 273 V N -0.049 119.897 119.914 0.053 0.000 2.278 273 V HA -0.291 3.830 4.120 0.001 0.000 0.251 273 V C 2.853 179.043 176.094 0.160 0.000 1.062 273 V CA 2.581 64.965 62.300 0.140 0.000 1.038 273 V CB -1.035 30.968 31.823 0.299 0.000 0.646 273 V HN 0.708 nan 8.190 nan 0.000 0.447 274 S N -0.418 115.386 115.700 0.175 0.000 2.370 274 S HA -0.204 4.267 4.470 0.001 0.000 0.226 274 S C 1.915 176.566 174.600 0.085 0.000 1.033 274 S CA 2.048 60.329 58.200 0.136 0.000 1.011 274 S CB -0.357 62.921 63.200 0.130 0.000 0.852 274 S HN 0.437 nan 8.310 nan 0.000 0.457 275 L N 1.690 122.964 121.223 0.085 0.000 2.093 275 L HA 0.196 4.537 4.340 0.001 0.000 0.208 275 L C 2.329 179.239 176.870 0.068 0.000 1.085 275 L CA 2.154 57.034 54.840 0.067 0.000 0.755 275 L CB -1.383 40.727 42.059 0.085 0.000 0.904 275 L HN 0.368 nan 8.230 nan 0.000 0.435 276 G N -0.239 108.605 108.800 0.073 0.000 2.422 276 G HA2 -0.235 3.726 3.960 0.001 0.000 0.218 276 G HA3 -0.235 3.726 3.960 0.001 0.000 0.218 276 G C 1.610 176.543 174.900 0.056 0.000 1.146 276 G CA 1.186 46.320 45.100 0.057 0.000 0.769 276 G HN 0.486 nan 8.290 nan 0.000 0.547 277 I N 1.170 121.780 120.570 0.067 0.000 2.202 277 I HA -0.101 4.070 4.170 0.001 0.000 0.242 277 I C 3.289 179.438 176.117 0.052 0.000 1.091 277 I CA 0.852 62.190 61.300 0.064 0.000 1.368 277 I CB -0.258 37.786 38.000 0.074 0.000 1.058 277 I HN 0.229 nan 8.210 nan 0.000 0.410 278 A N 0.840 123.686 122.820 0.043 0.000 1.865 278 A HA -0.240 4.081 4.320 0.001 0.000 0.217 278 A C 2.214 179.818 177.584 0.033 0.000 1.191 278 A CA 1.852 53.906 52.037 0.029 0.000 0.623 278 A CB -0.692 18.316 19.000 0.013 0.000 0.826 278 A HN 0.460 nan 8.150 nan 0.000 0.444 279 E N -1.064 119.161 120.200 0.041 0.000 2.153 279 E HA -0.227 4.124 4.350 0.001 0.000 0.194 279 E C 2.243 178.869 176.600 0.043 0.000 0.988 279 E CA 1.230 57.658 56.400 0.048 0.000 0.811 279 E CB -0.152 29.588 29.700 0.066 0.000 0.746 279 E HN 0.467 nan 8.360 nan 0.000 0.466 280 R N 1.172 121.696 120.500 0.040 0.000 2.092 280 R HA -0.105 4.235 4.340 0.001 0.000 0.231 280 R C 2.112 178.443 176.300 0.051 0.000 1.119 280 R CA 1.261 57.383 56.100 0.037 0.000 0.970 280 R CB -0.431 29.889 30.300 0.033 0.000 0.864 280 R HN 0.124 nan 8.270 nan 0.000 0.440 281 M N -0.037 119.598 119.600 0.059 0.000 2.080 281 M HA -0.068 4.413 4.480 0.001 0.000 0.260 281 M C 1.777 178.136 176.300 0.099 0.000 1.068 281 M CA 1.738 57.085 55.300 0.080 0.000 1.109 281 M CB -0.241 32.400 32.600 0.069 0.000 1.342 281 M HN 0.248 nan 8.290 nan 0.000 0.405 282 I N -0.280 120.326 120.570 0.061 0.000 2.163 282 I HA -0.283 3.888 4.170 0.001 0.000 0.243 282 I C 2.261 178.441 176.117 0.105 0.000 1.085 282 I CA 1.177 62.513 61.300 0.059 0.000 1.347 282 I CB -0.770 37.241 38.000 0.019 0.000 1.044 282 I HN 0.291 nan 8.210 nan 0.000 0.408 283 E N 0.995 121.239 120.200 0.073 0.000 2.077 283 E HA -0.191 4.160 4.350 0.001 0.000 0.193 283 E C 2.322 178.963 176.600 0.068 0.000 0.989 283 E CA 1.565 58.001 56.400 0.059 0.000 0.800 283 E CB -0.353 29.363 29.700 0.027 0.000 0.746 283 E HN 0.512 nan 8.360 nan 0.000 0.452 284 A N 0.539 123.404 122.820 0.075 0.000 1.898 284 A HA -0.132 4.189 4.320 0.001 0.000 0.216 284 A C 2.129 179.756 177.584 0.071 0.000 1.181 284 A CA 1.057 53.128 52.037 0.056 0.000 0.620 284 A CB -0.833 18.197 19.000 0.051 0.000 0.819 284 A HN 0.273 nan 8.150 nan 0.000 0.442 285 F N 0.811 120.753 119.950 -0.014 0.000 2.095 285 F HA -0.186 4.341 4.527 0.002 0.000 0.298 285 F C 2.228 178.019 175.800 -0.015 0.000 1.104 285 F CA 2.201 60.191 58.000 -0.017 0.000 1.232 285 F CB -0.074 38.918 39.000 -0.014 0.000 0.987 285 F HN 0.103 nan 8.300 nan 0.000 0.475 286 K N 0.089 120.639 120.400 0.251 0.000 2.063 286 K HA -0.214 4.107 4.320 0.001 0.000 0.208 286 K C 1.950 178.549 176.600 -0.003 0.000 1.048 286 K CA 2.012 58.381 56.287 0.137 0.000 0.928 286 K CB -0.290 32.281 32.500 0.120 0.000 0.713 286 K HN 0.431 nan 8.250 nan 0.000 0.442 287 E N 0.738 120.929 120.200 -0.016 0.000 2.028 287 E HA -0.179 4.171 4.350 0.001 0.000 0.191 287 E C 1.907 178.454 176.600 -0.087 0.000 0.988 287 E CA 1.267 57.643 56.400 -0.040 0.000 0.799 287 E CB 0.058 29.741 29.700 -0.029 0.000 0.755 287 E HN 0.082 nan 8.360 nan 0.000 0.447 288 K N 0.368 120.685 120.400 -0.138 0.000 2.283 288 K HA -0.147 4.174 4.320 0.001 0.000 0.202 288 K C 2.020 178.466 176.600 -0.257 0.000 1.048 288 K CA 0.740 56.914 56.287 -0.189 0.000 0.948 288 K CB 0.081 32.451 32.500 -0.216 0.000 0.742 288 K HN -0.065 nan 8.250 nan 0.000 0.458 289 Q N 0.687 120.293 119.800 -0.323 0.000 2.083 289 Q HA -0.006 4.335 4.340 0.001 0.000 0.198 289 Q C 1.476 177.389 176.000 -0.144 0.000 0.969 289 Q CA 1.345 56.958 55.803 -0.317 0.000 0.838 289 Q CB 0.134 28.678 28.738 -0.324 0.000 0.900 289 Q HN 0.159 nan 8.270 nan 0.000 0.436 290 R N 0.446 120.891 120.500 -0.092 0.000 2.159 290 R HA -0.224 4.116 4.340 0.001 0.000 0.249 290 R C 1.309 177.580 176.300 -0.048 0.000 1.136 290 R CA 1.835 57.905 56.100 -0.050 0.000 0.951 290 R CB -0.861 29.416 30.300 -0.037 0.000 0.876 290 R HN 0.494 nan 8.270 nan 0.000 0.440 291 N N 0.278 118.942 118.700 -0.060 0.000 2.282 291 N HA -0.011 4.730 4.740 0.001 0.000 0.185 291 N C 0.388 175.867 175.510 -0.052 0.000 1.099 291 N CA -0.276 52.745 53.050 -0.047 0.000 0.878 291 N CB -0.132 38.329 38.487 -0.043 0.000 0.993 291 N HN -0.043 nan 8.380 nan 0.000 0.481 292 R N 1.830 122.286 120.500 -0.073 0.000 2.481 292 R HA 0.033 4.374 4.340 0.001 0.000 0.291 292 R C -0.315 175.955 176.300 -0.051 0.000 0.934 292 R CA 0.077 56.132 56.100 -0.075 0.000 1.116 292 R CB -0.019 30.219 30.300 -0.104 0.000 0.895 292 R HN 0.157 nan 8.270 nan 0.000 0.410 293 V N 2.417 122.303 119.914 -0.046 0.000 2.850 293 V HA 0.603 4.723 4.120 0.001 0.000 0.315 293 V C 0.084 176.155 176.094 -0.038 0.000 1.064 293 V CA -1.097 61.183 62.300 -0.032 0.000 0.979 293 V CB 1.921 33.730 31.823 -0.023 0.000 1.039 293 V HN 0.638 nan 8.190 nan 0.000 0.452 294 R N 2.189 122.673 120.500 -0.026 0.000 2.210 294 R HA 0.471 4.812 4.340 0.001 0.000 0.338 294 R C 1.303 177.588 176.300 -0.025 0.000 1.062 294 R CA 0.452 56.532 56.100 -0.033 0.000 0.902 294 R CB 1.028 31.327 30.300 -0.002 0.000 1.050 294 R HN 1.052 nan 8.270 nan 0.000 0.461 295 A N 4.522 127.294 122.820 -0.079 0.000 1.884 295 A HA -0.245 4.076 4.320 0.001 0.000 0.219 295 A C 1.262 178.899 177.584 0.089 0.000 1.197 295 A CA 1.582 53.588 52.037 -0.052 0.000 0.637 295 A CB -0.516 18.384 19.000 -0.166 0.000 0.827 295 A HN 0.679 nan 8.150 nan 0.000 0.450 296 Y N 0.568 120.867 120.300 -0.002 0.000 2.314 296 Y HA -0.079 4.472 4.550 0.001 0.000 0.293 296 Y C 2.902 178.801 175.900 -0.001 0.000 1.129 296 Y CA 1.459 59.559 58.100 -0.001 0.000 1.201 296 Y CB -0.914 37.545 38.460 -0.001 0.000 0.999 296 Y HN 0.573 nan 8.280 nan 0.000 0.541 297 T N -6.135 108.513 114.554 0.156 0.000 2.964 297 T HA 0.440 4.791 4.350 0.001 0.000 0.249 297 T C 1.822 176.553 174.700 0.052 0.000 1.000 297 T CA 0.588 62.740 62.100 0.086 0.000 0.992 297 T CB 0.382 69.294 68.868 0.074 0.000 1.087 297 T HN 0.286 nan 8.240 nan 0.000 0.489 298 G N 1.789 110.615 108.800 0.043 0.000 2.217 298 G HA2 -0.042 3.919 3.960 0.001 0.000 0.246 298 G HA3 -0.042 3.919 3.960 0.001 0.000 0.246 298 G C 0.428 175.336 174.900 0.014 0.000 0.990 298 G CA -0.052 45.062 45.100 0.024 0.000 0.627 298 G HN 1.171 nan 8.290 nan 0.000 0.522 299 A N 0.054 122.884 122.820 0.016 0.000 2.466 299 A HA 0.520 4.841 4.320 0.001 0.000 0.238 299 A C 0.482 178.068 177.584 0.002 0.000 1.074 299 A CA 0.183 52.226 52.037 0.011 0.000 0.774 299 A CB 0.187 19.196 19.000 0.015 0.000 1.015 299 A HN 0.350 nan 8.150 nan 0.000 0.498 300 N N 1.255 119.955 118.700 0.001 0.000 2.437 300 N HA 0.296 5.037 4.740 0.001 0.000 0.243 300 N C -0.235 175.272 175.510 -0.004 0.000 1.041 300 N CA 0.015 53.062 53.050 -0.005 0.000 0.940 300 N CB 1.507 39.991 38.487 -0.004 0.000 1.133 300 N HN 0.313 nan 8.380 nan 0.000 0.506 301 V N 2.013 121.921 119.914 -0.010 0.000 3.346 301 V HA 0.164 4.284 4.120 0.001 0.000 0.309 301 V C 1.697 177.788 176.094 -0.005 0.000 1.457 301 V CA 0.131 62.428 62.300 -0.005 0.000 1.069 301 V CB 0.742 32.561 31.823 -0.007 0.000 0.944 301 V HN 0.744 nan 8.190 nan 0.000 0.449 302 G N 0.142 108.934 108.800 -0.014 0.000 2.448 302 G HA2 -0.073 3.888 3.960 0.001 0.000 0.218 302 G HA3 -0.073 3.888 3.960 0.001 0.000 0.218 302 G C 1.077 175.983 174.900 0.010 0.000 1.135 302 G CA 0.540 45.628 45.100 -0.019 0.000 0.784 302 G HN 0.506 nan 8.290 nan 0.000 0.543 303 L N 0.977 122.208 121.223 0.012 0.000 2.791 303 L HA 0.448 4.789 4.340 0.001 0.000 0.239 303 L C 1.159 178.043 176.870 0.024 0.000 1.203 303 L CA -0.685 54.167 54.840 0.021 0.000 1.002 303 L CB 0.246 42.313 42.059 0.013 0.000 1.295 303 L HN 0.137 nan 8.230 nan 0.000 0.504 304 A N -0.139 122.698 122.820 0.027 0.000 2.425 304 A HA 0.282 4.603 4.320 0.001 0.000 0.249 304 A C 1.470 179.074 177.584 0.033 0.000 1.084 304 A CA -0.018 52.035 52.037 0.027 0.000 0.781 304 A CB 0.369 19.385 19.000 0.026 0.000 1.019 304 A HN 0.313 nan 8.150 nan 0.000 0.490 305 T N 3.282 117.852 114.554 0.026 0.000 2.653 305 T HA -0.131 4.220 4.350 0.001 0.000 0.268 305 T C -0.650 174.066 174.700 0.027 0.000 1.035 305 T CA 2.382 64.496 62.100 0.024 0.000 1.154 305 T CB -1.290 67.589 68.868 0.019 0.000 0.862 305 T HN 0.622 nan 8.240 nan 0.000 0.441 306 P HA -0.056 nan 4.420 nan 0.000 0.215 306 P C 1.670 178.994 177.300 0.040 0.000 1.157 306 P CA 1.480 64.598 63.100 0.030 0.000 0.868 306 P CB -0.302 31.418 31.700 0.033 0.000 0.788 307 A N -0.437 122.424 122.820 0.069 0.000 1.892 307 A HA -0.212 4.109 4.320 0.001 0.000 0.218 307 A C 2.264 179.899 177.584 0.086 0.000 1.188 307 A CA 1.758 53.867 52.037 0.121 0.000 0.631 307 A CB -1.753 17.349 19.000 0.170 0.000 0.822 307 A HN 0.102 nan 8.150 nan 0.000 0.447 308 L N -1.285 119.975 121.223 0.061 0.000 2.012 308 L HA -0.258 4.083 4.340 0.001 0.000 0.210 308 L C 2.906 179.780 176.870 0.008 0.000 1.073 308 L CA 1.874 56.736 54.840 0.036 0.000 0.748 308 L CB -0.632 41.443 42.059 0.027 0.000 0.891 308 L HN 0.441 nan 8.230 nan 0.000 0.431 309 M N -0.922 118.682 119.600 0.007 0.000 2.213 309 M HA -0.172 4.309 4.480 0.001 0.000 0.263 309 M C 2.415 178.701 176.300 -0.023 0.000 1.062 309 M CA 1.592 56.891 55.300 -0.001 0.000 1.105 309 M CB -0.398 32.206 32.600 0.007 0.000 1.385 309 M HN 0.165 nan 8.290 nan 0.000 0.417 310 R N 0.476 120.950 120.500 -0.044 0.000 2.075 310 R HA -0.027 4.314 4.340 0.001 0.000 0.232 310 R C 2.086 178.298 176.300 -0.148 0.000 1.126 310 R CA 1.242 57.282 56.100 -0.100 0.000 0.963 310 R CB -0.433 29.782 30.300 -0.142 0.000 0.858 310 R HN 0.324 nan 8.270 nan 0.000 0.435 311 I N 0.795 121.282 120.570 -0.139 0.000 2.226 311 I HA -0.286 3.885 4.170 0.001 0.000 0.245 311 I C 2.620 178.675 176.117 -0.103 0.000 1.100 311 I CA 1.353 62.575 61.300 -0.130 0.000 1.374 311 I CB -0.380 37.605 38.000 -0.024 0.000 1.057 311 I HN 0.194 nan 8.210 nan 0.000 0.413 312 A N 0.110 122.880 122.820 -0.083 0.000 1.865 312 A HA -0.288 4.033 4.320 0.001 0.000 0.217 312 A C 2.347 179.869 177.584 -0.103 0.000 1.191 312 A CA 2.093 54.058 52.037 -0.120 0.000 0.623 312 A CB -0.737 18.223 19.000 -0.068 0.000 0.826 312 A HN 0.469 nan 8.150 nan 0.000 0.444 313 E N -0.586 119.603 120.200 -0.018 0.000 2.106 313 E HA -0.113 4.238 4.350 0.001 0.000 0.192 313 E C 2.192 178.796 176.600 0.007 0.000 0.984 313 E CA 1.043 57.470 56.400 0.045 0.000 0.806 313 E CB -0.050 29.665 29.700 0.025 0.000 0.750 313 E HN 0.543 nan 8.360 nan 0.000 0.458 314 S N -0.396 115.271 115.700 -0.055 0.000 2.383 314 S HA -0.111 4.360 4.470 0.001 0.000 0.227 314 S C 1.920 176.492 174.600 -0.047 0.000 1.026 314 S CA 1.360 59.521 58.200 -0.064 0.000 0.981 314 S CB -0.181 62.950 63.200 -0.115 0.000 0.818 314 S HN 0.337 nan 8.310 nan 0.000 0.472 315 T N 0.765 115.273 114.554 -0.077 0.000 2.708 315 T HA -0.114 4.237 4.350 0.001 0.000 0.266 315 T C 1.470 176.135 174.700 -0.059 0.000 1.037 315 T CA 1.557 63.603 62.100 -0.090 0.000 1.146 315 T CB -0.431 68.342 68.868 -0.158 0.000 0.865 315 T HN 0.563 nan 8.240 nan 0.000 0.435 316 H N 0.427 119.471 119.070 -0.044 0.000 2.319 316 H HA -0.088 4.468 4.556 0.001 0.000 0.299 316 H C 2.668 177.974 175.328 -0.037 0.000 1.092 316 H CA 1.617 57.636 56.048 -0.048 0.000 1.302 316 H CB 0.035 29.765 29.762 -0.054 0.000 1.373 316 H HN 0.329 nan 8.280 nan 0.000 0.497 317 Q N 0.576 120.429 119.800 0.088 0.000 2.084 317 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 317 Q C 2.482 178.483 176.000 0.002 0.000 0.978 317 Q CA 1.743 57.559 55.803 0.023 0.000 0.844 317 Q CB 0.069 28.797 28.738 -0.016 0.000 0.898 317 Q HN 0.471 nan 8.270 nan 0.000 0.426 318 V N -1.576 118.339 119.914 0.001 0.000 2.719 318 V HA 0.026 4.147 4.120 0.001 0.000 0.252 318 V C 1.949 178.053 176.094 0.016 0.000 1.065 318 V CA 1.523 63.821 62.300 -0.003 0.000 1.086 318 V CB -0.616 31.206 31.823 -0.002 0.000 0.700 318 V HN 0.362 nan 8.190 nan 0.000 0.467 319 A N 0.798 123.644 122.820 0.043 0.000 1.902 319 A HA 0.077 4.397 4.320 0.001 0.000 0.217 319 A C 2.535 180.160 177.584 0.067 0.000 1.181 319 A CA 2.236 54.321 52.037 0.079 0.000 0.623 319 A CB -1.132 17.936 19.000 0.114 0.000 0.818 319 A HN 1.021 nan 8.150 nan 0.000 0.443 320 A N -0.102 122.751 122.820 0.054 0.000 1.902 320 A HA 0.150 4.471 4.320 0.001 0.000 0.217 320 A C 2.505 180.093 177.584 0.007 0.000 1.181 320 A CA 2.118 54.176 52.037 0.035 0.000 0.623 320 A CB -1.011 18.009 19.000 0.033 0.000 0.818 320 A HN 1.049 nan 8.150 nan 0.000 0.443 321 A N -0.206 122.606 122.820 -0.014 0.000 1.902 321 A HA -0.177 4.144 4.320 0.001 0.000 0.217 321 A C 2.259 179.788 177.584 -0.092 0.000 1.181 321 A CA 1.799 53.807 52.037 -0.047 0.000 0.623 321 A CB -0.507 18.456 19.000 -0.063 0.000 0.818 321 A HN 0.579 nan 8.150 nan 0.000 0.443 322 R N -0.333 120.124 120.500 -0.071 0.000 2.096 322 R HA -0.071 4.270 4.340 0.001 0.000 0.235 322 R C 2.229 178.432 176.300 -0.163 0.000 1.127 322 R CA 1.420 57.450 56.100 -0.116 0.000 0.968 322 R CB -0.415 29.867 30.300 -0.030 0.000 0.861 322 R HN 0.419 nan 8.270 nan 0.000 0.440 323 A N 1.314 124.085 122.820 -0.082 0.000 1.877 323 A HA -0.179 4.142 4.320 0.001 0.000 0.216 323 A C 2.064 179.569 177.584 -0.132 0.000 1.186 323 A CA 1.360 53.352 52.037 -0.076 0.000 0.620 323 A CB -0.689 18.307 19.000 -0.006 0.000 0.822 323 A HN 0.395 nan 8.150 nan 0.000 0.443 324 L N -0.248 120.904 121.223 -0.118 0.000 2.012 324 L HA -0.129 4.212 4.340 0.001 0.000 0.210 324 L C 2.337 179.042 176.870 -0.275 0.000 1.073 324 L CA 1.705 56.469 54.840 -0.126 0.000 0.748 324 L CB -0.375 41.664 42.059 -0.033 0.000 0.891 324 L HN 0.418 nan 8.230 nan 0.000 0.431 325 L N -0.954 119.996 121.223 -0.455 0.000 2.093 325 L HA -0.195 4.146 4.340 0.001 0.000 0.208 325 L C 2.507 178.567 176.870 -1.349 0.000 1.085 325 L CA 1.339 55.591 54.840 -0.981 0.000 0.755 325 L CB -0.564 40.801 42.059 -1.157 0.000 0.904 325 L HN 0.364 nan 8.230 nan 0.000 0.435 326 E N 0.068 119.800 120.200 -0.781 0.000 2.077 326 E HA -0.262 4.088 4.350 0.001 0.000 0.193 326 E C 2.149 178.651 176.600 -0.163 0.000 0.989 326 E CA 1.085 57.275 56.400 -0.351 0.000 0.800 326 E CB 0.002 29.626 29.700 -0.128 0.000 0.746 326 E HN 0.320 nan 8.360 nan 0.000 0.452 327 K N 0.458 120.755 120.400 -0.172 0.000 2.057 327 K HA -0.119 4.202 4.320 0.001 0.000 0.206 327 K C 2.114 178.686 176.600 -0.045 0.000 1.050 327 K CA 1.515 57.758 56.287 -0.074 0.000 0.935 327 K CB 0.019 32.478 32.500 -0.068 0.000 0.715 327 K HN 0.003 nan 8.250 nan 0.000 0.439 328 T N 0.441 114.914 114.554 -0.136 0.000 2.708 328 T HA -0.147 4.204 4.350 0.001 0.000 0.266 328 T C 1.353 176.096 174.700 0.071 0.000 1.037 328 T CA 1.354 63.428 62.100 -0.043 0.000 1.146 328 T CB -0.215 68.591 68.868 -0.103 0.000 0.865 328 T HN 0.367 nan 8.240 nan 0.000 0.435 329 W N 1.655 122.905 121.300 -0.084 0.000 2.358 329 W HA -0.007 4.654 4.660 0.001 0.000 0.303 329 W C 2.414 178.894 176.519 -0.064 0.000 1.208 329 W CA 0.703 57.937 57.345 -0.184 0.000 1.274 329 W CB -1.284 28.053 29.460 -0.205 0.000 1.138 329 W HN 0.349 nan 8.180 nan 0.000 0.515 330 E N 0.919 121.240 120.200 0.202 0.000 2.058 330 E HA -0.231 4.119 4.350 0.001 0.000 0.194 330 E C 1.737 178.445 176.600 0.180 0.000 0.997 330 E CA 2.041 58.532 56.400 0.152 0.000 0.801 330 E CB -0.595 29.167 29.700 0.104 0.000 0.746 330 E HN -0.034 nan 8.360 nan 0.000 0.450 331 D N -0.920 119.603 120.400 0.205 0.000 2.149 331 D HA -0.201 4.440 4.640 0.001 0.000 0.194 331 D C 1.655 178.169 176.300 0.357 0.000 1.001 331 D CA 1.494 55.694 54.000 0.333 0.000 0.849 331 D CB -0.273 40.770 40.800 0.405 0.000 0.939 331 D HN 0.375 nan 8.370 nan 0.000 0.449 332 H N -0.563 118.427 119.070 -0.134 0.000 2.353 332 H HA 0.028 4.585 4.556 0.002 0.000 0.300 332 H C 2.164 177.526 175.328 0.057 0.000 1.090 332 H CA 1.505 57.332 56.048 -0.368 0.000 1.327 332 H CB -0.011 29.369 29.762 -0.637 0.000 1.383 332 H HN 0.017 nan 8.280 nan 0.000 0.508 333 R N 0.507 121.124 120.500 0.195 0.000 2.070 333 R HA -0.109 4.231 4.340 0.001 0.000 0.232 333 R C 2.155 178.565 176.300 0.184 0.000 1.138 333 R CA 1.616 57.816 56.100 0.166 0.000 0.936 333 R CB -0.399 29.966 30.300 0.109 0.000 0.839 333 R HN 0.258 nan 8.270 nan 0.000 0.429 334 I N 0.152 120.832 120.570 0.184 0.000 2.145 334 I HA -0.365 3.806 4.170 0.001 0.000 0.244 334 I C 2.212 178.423 176.117 0.157 0.000 1.075 334 I CA 1.920 63.307 61.300 0.145 0.000 1.332 334 I CB -0.394 37.686 38.000 0.134 0.000 1.033 334 I HN 0.357 nan 8.210 nan 0.000 0.410 335 H N 0.092 119.293 119.070 0.218 0.000 2.290 335 H HA -0.133 4.424 4.556 0.002 0.000 0.298 335 H C 2.278 177.731 175.328 0.208 0.000 1.087 335 H CA 1.913 58.108 56.048 0.246 0.000 1.291 335 H CB -0.794 29.225 29.762 0.428 0.000 1.369 335 H HN 0.360 nan 8.280 nan 0.000 0.492 336 G N 0.362 109.369 108.800 0.344 0.000 2.446 336 G HA2 -0.273 3.688 3.960 0.001 0.000 0.217 336 G HA3 -0.273 3.688 3.960 0.001 0.000 0.217 336 G C 1.772 176.807 174.900 0.225 0.000 1.168 336 G CA 0.942 46.199 45.100 0.262 0.000 0.771 336 G HN 0.311 nan 8.290 nan 0.000 0.551 337 L N 0.494 121.804 121.223 0.146 0.000 2.010 337 L HA -0.166 4.175 4.340 0.001 0.000 0.219 337 L C 2.161 179.027 176.870 -0.007 0.000 1.077 337 L CA 1.466 56.338 54.840 0.053 0.000 0.773 337 L CB -0.280 41.797 42.059 0.030 0.000 0.892 337 L HN 0.226 nan 8.230 nan 0.000 0.436 338 N N -1.094 117.628 118.700 0.036 0.000 2.449 338 N HA -0.048 4.693 4.740 0.001 0.000 0.191 338 N C -0.161 175.417 175.510 0.114 0.000 1.161 338 N CA 0.274 53.325 53.050 0.002 0.000 0.863 338 N CB -0.195 38.289 38.487 -0.004 0.000 0.980 338 N HN 0.440 nan 8.380 nan 0.000 0.458 339 H N -0.615 118.481 119.070 0.043 0.000 2.791 339 H HA -0.190 4.367 4.556 0.001 0.000 0.302 339 H C -0.115 175.358 175.328 0.241 0.000 1.198 339 H CA 0.249 56.364 56.048 0.112 0.000 1.145 339 H CB -0.995 28.726 29.762 -0.068 0.000 1.385 339 H HN 0.334 nan 8.280 nan 0.000 0.409 340 Q N 0.874 120.850 119.800 0.294 0.000 2.333 340 Q HA 0.242 4.583 4.340 0.001 0.000 0.268 340 Q C -0.936 175.251 176.000 0.312 0.000 1.007 340 Q CA -0.780 55.196 55.803 0.287 0.000 0.810 340 Q CB 1.036 29.862 28.738 0.148 0.000 1.264 340 Q HN 0.241 nan 8.270 nan 0.000 0.452 341 Y N 4.753 125.218 120.300 0.274 0.000 2.359 341 Y HA 0.193 4.743 4.550 0.001 0.000 0.330 341 Y C -1.562 174.428 175.900 0.151 0.000 1.143 341 Y CA -1.110 57.118 58.100 0.214 0.000 1.318 341 Y CB 0.416 38.961 38.460 0.142 0.000 1.234 341 Y HN 0.524 nan 8.280 nan 0.000 0.522 342 P HA 0.058 nan 4.420 nan 0.000 0.274 342 P C -0.806 176.447 177.300 -0.078 0.000 1.246 342 P CA -0.491 62.501 63.100 -0.179 0.000 0.795 342 P CB 0.993 32.120 31.700 -0.956 0.000 1.006 343 N N 0.778 119.431 118.700 -0.078 0.000 2.405 343 N HA 0.090 4.831 4.740 0.001 0.000 0.269 343 N C 0.820 176.271 175.510 -0.098 0.000 1.249 343 N CA -0.641 52.380 53.050 -0.048 0.000 0.974 343 N CB 0.811 39.294 38.487 -0.007 0.000 1.204 343 N HN 0.162 nan 8.380 nan 0.000 0.565 344 K N 0.676 121.042 120.400 -0.058 0.000 2.034 344 K HA -0.259 4.062 4.320 0.001 0.000 0.214 344 K C 1.720 178.269 176.600 -0.084 0.000 1.051 344 K CA 1.741 57.990 56.287 -0.063 0.000 0.931 344 K CB -0.591 31.884 32.500 -0.042 0.000 0.715 344 K HN 0.743 nan 8.250 nan 0.000 0.446 345 E N 0.270 120.439 120.200 -0.052 0.000 2.017 345 E HA -0.181 4.169 4.350 0.001 0.000 0.193 345 E C 2.070 178.697 176.600 0.046 0.000 0.997 345 E CA 2.016 58.412 56.400 -0.007 0.000 0.804 345 E CB -0.166 29.579 29.700 0.075 0.000 0.757 345 E HN 0.346 nan 8.360 nan 0.000 0.448 346 T N 0.289 114.826 114.554 -0.029 0.000 2.699 346 T HA -0.205 4.146 4.350 0.001 0.000 0.268 346 T C 1.946 176.354 174.700 -0.487 0.000 1.036 346 T CA 1.427 63.400 62.100 -0.211 0.000 1.147 346 T CB -0.356 68.246 68.868 -0.443 0.000 0.862 346 T HN 0.162 nan 8.240 nan 0.000 0.446 347 L N 1.665 122.606 121.223 -0.470 0.000 2.042 347 L HA 0.146 4.487 4.340 0.001 0.000 0.210 347 L C 2.944 179.767 176.870 -0.077 0.000 1.076 347 L CA 1.989 56.639 54.840 -0.317 0.000 0.749 347 L CB -1.763 40.184 42.059 -0.187 0.000 0.893 347 L HN 0.477 nan 8.230 nan 0.000 0.432 348 A N -1.247 121.510 122.820 -0.105 0.000 1.883 348 A HA -0.246 4.075 4.320 0.001 0.000 0.217 348 A C 2.229 179.758 177.584 -0.091 0.000 1.186 348 A CA 1.926 53.880 52.037 -0.138 0.000 0.624 348 A CB -1.066 17.773 19.000 -0.270 0.000 0.822 348 A HN 0.426 nan 8.150 nan 0.000 0.444 349 F N -2.080 117.883 119.950 0.022 0.000 2.186 349 F HA -0.195 4.333 4.527 0.001 0.000 0.299 349 F C 2.115 178.081 175.800 0.278 0.000 1.090 349 F CA 0.975 59.044 58.000 0.114 0.000 1.307 349 F CB -0.259 38.803 39.000 0.104 0.000 1.019 349 F HN 0.329 nan 8.300 nan 0.000 0.489 350 W N 0.342 121.768 121.300 0.210 0.000 2.402 350 W HA -0.070 4.591 4.660 0.002 0.000 0.286 350 W C 2.558 179.211 176.519 0.223 0.000 1.221 350 W CA 0.782 58.247 57.345 0.200 0.000 1.257 350 W CB -1.012 28.483 29.460 0.058 0.000 1.120 350 W HN -0.062 nan 8.180 nan 0.000 0.551 351 R N 0.554 121.280 120.500 0.376 0.000 2.148 351 R HA -0.091 4.250 4.340 0.001 0.000 0.223 351 R C 2.003 178.352 176.300 0.083 0.000 1.088 351 R CA 2.312 58.543 56.100 0.218 0.000 0.985 351 R CB -0.497 29.863 30.300 0.100 0.000 0.880 351 R HN 0.161 nan 8.270 nan 0.000 0.451 352 T N -4.440 110.195 114.554 0.136 0.000 2.987 352 T HA 0.184 4.535 4.350 0.001 0.000 0.248 352 T C 1.358 176.198 174.700 0.234 0.000 0.997 352 T CA 0.245 62.409 62.100 0.106 0.000 1.013 352 T CB -0.393 68.483 68.868 0.014 0.000 1.077 352 T HN 0.242 nan 8.240 nan 0.000 0.483 353 N N 2.375 121.244 118.700 0.281 0.000 2.091 353 N HA -0.279 4.462 4.740 0.001 0.000 0.193 353 N C 1.999 177.648 175.510 0.233 0.000 1.021 353 N CA 1.889 55.106 53.050 0.278 0.000 0.862 353 N CB -0.308 38.327 38.487 0.246 0.000 1.018 353 N HN 0.672 nan 8.380 nan 0.000 0.429 354 Q N 0.924 120.846 119.800 0.203 0.000 2.234 354 Q HA -0.045 4.296 4.340 0.001 0.000 0.206 354 Q C 1.787 177.900 176.000 0.189 0.000 0.980 354 Q CA 1.738 57.645 55.803 0.173 0.000 0.869 354 Q CB -0.270 28.599 28.738 0.219 0.000 0.912 354 Q HN 0.331 nan 8.270 nan 0.000 0.436 355 A N -0.459 122.502 122.820 0.235 0.000 1.970 355 A HA -0.054 4.267 4.320 0.001 0.000 0.216 355 A C 1.855 179.578 177.584 0.231 0.000 1.170 355 A CA 0.910 53.107 52.037 0.266 0.000 0.645 355 A CB -0.750 18.450 19.000 0.333 0.000 0.816 355 A HN 0.488 nan 8.150 nan 0.000 0.447 356 Y N 0.633 120.995 120.300 0.103 0.000 2.263 356 Y HA 0.025 4.576 4.550 0.002 0.000 0.292 356 Y C 2.601 178.439 175.900 -0.103 0.000 1.130 356 Y CA 0.702 58.718 58.100 -0.141 0.000 1.179 356 Y CB -0.428 38.011 38.460 -0.035 0.000 0.998 356 Y HN 0.313 nan 8.280 nan 0.000 0.532 357 A N -0.637 122.198 122.820 0.025 0.000 1.858 357 A HA -0.180 4.141 4.320 0.001 0.000 0.216 357 A C 2.381 179.900 177.584 -0.108 0.000 1.190 357 A CA 2.132 54.134 52.037 -0.059 0.000 0.617 357 A CB -1.381 17.609 19.000 -0.017 0.000 0.827 357 A HN 0.274 nan 8.150 nan 0.000 0.443 358 V N 0.448 120.340 119.914 -0.036 0.000 2.324 358 V HA -0.331 3.790 4.120 0.001 0.000 0.250 358 V C 2.604 178.629 176.094 -0.116 0.000 1.060 358 V CA 2.613 64.898 62.300 -0.024 0.000 1.042 358 V CB -0.692 31.168 31.823 0.062 0.000 0.650 358 V HN 0.756 nan 8.190 nan 0.000 0.450 359 K N -0.486 119.791 120.400 -0.205 0.000 2.026 359 K HA -0.206 4.115 4.320 0.001 0.000 0.208 359 K C 2.152 178.549 176.600 -0.338 0.000 1.048 359 K CA 1.945 58.051 56.287 -0.301 0.000 0.929 359 K CB -0.210 32.001 32.500 -0.482 0.000 0.713 359 K HN 0.383 nan 8.250 nan 0.000 0.439 360 M N 0.118 119.460 119.600 -0.430 0.000 2.132 360 M HA -0.183 4.298 4.480 0.001 0.000 0.263 360 M C 2.481 178.667 176.300 -0.190 0.000 1.065 360 M CA 1.289 56.389 55.300 -0.334 0.000 1.122 360 M CB -0.269 32.130 32.600 -0.334 0.000 1.365 360 M HN 0.273 nan 8.290 nan 0.000 0.411 361 C N 0.393 119.601 119.300 -0.154 0.000 2.413 361 C HA -0.138 4.323 4.460 0.001 0.000 0.277 361 C C 2.619 177.549 174.990 -0.100 0.000 1.265 361 C CA 0.796 59.758 59.018 -0.093 0.000 1.752 361 C CB -0.937 26.770 27.740 -0.056 0.000 1.998 361 C HN 0.512 nan 8.230 nan 0.000 0.489 362 I N 0.128 120.610 120.570 -0.147 0.000 2.353 362 I HA -0.148 4.023 4.170 0.001 0.000 0.248 362 I C 2.546 178.581 176.117 -0.137 0.000 1.119 362 I CA 1.297 62.475 61.300 -0.203 0.000 1.417 362 I CB -0.559 37.247 38.000 -0.324 0.000 1.078 362 I HN 0.401 nan 8.210 nan 0.000 0.421 363 E N 0.956 121.085 120.200 -0.119 0.000 2.110 363 E HA -0.215 4.136 4.350 0.001 0.000 0.193 363 E C 2.308 178.879 176.600 -0.048 0.000 0.988 363 E CA 1.278 57.635 56.400 -0.072 0.000 0.804 363 E CB -0.055 29.587 29.700 -0.096 0.000 0.745 363 E HN 0.516 nan 8.360 nan 0.000 0.458 364 A N 0.413 123.195 122.820 -0.063 0.000 1.970 364 A HA -0.070 4.251 4.320 0.001 0.000 0.216 364 A C 2.361 179.923 177.584 -0.037 0.000 1.170 364 A CA 0.629 52.635 52.037 -0.052 0.000 0.645 364 A CB -0.234 18.734 19.000 -0.053 0.000 0.816 364 A HN 0.102 nan 8.150 nan 0.000 0.447 365 V N 0.571 120.480 119.914 -0.007 0.000 2.358 365 V HA -0.216 3.905 4.120 0.001 0.000 0.246 365 V C 2.143 178.312 176.094 0.125 0.000 1.047 365 V CA 2.315 64.649 62.300 0.057 0.000 1.035 365 V CB -0.736 31.132 31.823 0.076 0.000 0.658 365 V HN 0.473 nan 8.190 nan 0.000 0.452 366 D N -0.236 120.257 120.400 0.154 0.000 2.117 366 D HA -0.184 4.456 4.640 0.001 0.000 0.197 366 D C 2.286 178.638 176.300 0.085 0.000 0.987 366 D CA 1.288 55.420 54.000 0.219 0.000 0.829 366 D CB -0.304 40.635 40.800 0.232 0.000 0.961 366 D HN 0.297 nan 8.370 nan 0.000 0.460 367 R N 0.041 120.550 120.500 0.015 0.000 2.127 367 R HA -0.066 4.275 4.340 0.001 0.000 0.238 367 R C 2.145 178.381 176.300 -0.107 0.000 1.134 367 R CA 0.850 56.928 56.100 -0.037 0.000 0.975 367 R CB -0.097 30.167 30.300 -0.059 0.000 0.865 367 R HN 0.201 nan 8.270 nan 0.000 0.447 368 L N -0.713 120.412 121.223 -0.164 0.000 2.084 368 L HA -0.044 4.297 4.340 0.001 0.000 0.202 368 L C 2.458 179.287 176.870 -0.067 0.000 1.074 368 L CA 0.543 55.169 54.840 -0.356 0.000 0.757 368 L CB -0.358 41.392 42.059 -0.515 0.000 0.918 368 L HN 0.203 nan 8.230 nan 0.000 0.444 369 M N 0.657 120.259 119.600 0.004 0.000 2.255 369 M HA -0.203 4.278 4.480 0.001 0.000 0.259 369 M C 2.016 178.321 176.300 0.008 0.000 1.071 369 M CA 1.904 57.181 55.300 -0.039 0.000 1.074 369 M CB -0.456 32.005 32.600 -0.231 0.000 1.384 369 M HN 0.221 nan 8.290 nan 0.000 0.415 370 A N -1.314 121.525 122.820 0.032 0.000 2.167 370 A HA 0.389 4.710 4.320 0.001 0.000 0.214 370 A C 1.936 179.568 177.584 0.079 0.000 1.151 370 A CA 1.175 53.245 52.037 0.056 0.000 0.735 370 A CB -0.797 18.230 19.000 0.045 0.000 0.802 370 A HN 0.571 nan 8.150 nan 0.000 0.467 371 A N -1.381 121.512 122.820 0.120 0.000 2.470 371 A HA 0.635 4.956 4.320 0.001 0.000 0.251 371 A C 1.763 179.490 177.584 0.238 0.000 1.245 371 A CA 0.797 52.938 52.037 0.174 0.000 0.932 371 A CB -0.245 18.873 19.000 0.197 0.000 1.037 371 A HN 0.717 nan 8.150 nan 0.000 0.522 372 A N -0.513 122.439 122.820 0.220 0.000 2.123 372 A HA 0.468 4.789 4.320 0.001 0.000 0.214 372 A C 1.526 179.142 177.584 0.053 0.000 1.152 372 A CA 1.131 53.254 52.037 0.143 0.000 0.728 372 A CB -0.803 18.253 19.000 0.093 0.000 0.814 372 A HN 2.036 nan 8.150 nan 0.000 0.464 373 G N -2.371 106.482 108.800 0.088 0.000 2.846 373 G HA2 0.162 4.123 3.960 0.001 0.000 0.660 373 G HA3 0.162 4.123 3.960 0.001 0.000 0.660 373 G C 0.897 175.872 174.900 0.125 0.000 1.464 373 G CA -0.039 45.096 45.100 0.059 0.000 0.891 373 G HN 1.393 nan 8.290 nan 0.000 0.552 374 A N -0.571 122.292 122.820 0.072 0.000 1.940 374 A HA 0.022 4.343 4.320 0.001 0.000 0.219 374 A C 2.618 180.285 177.584 0.139 0.000 1.176 374 A CA 3.062 55.158 52.037 0.098 0.000 0.631 374 A CB -0.886 18.116 19.000 0.002 0.000 0.814 374 A HN 1.696 nan 8.150 nan 0.000 0.446 375 T N 0.166 114.756 114.554 0.061 0.000 2.929 375 T HA -0.072 4.278 4.350 0.001 0.000 0.271 375 T C 1.854 176.572 174.700 0.029 0.000 1.085 375 T CA 1.470 63.589 62.100 0.032 0.000 1.125 375 T CB -0.242 68.620 68.868 -0.011 0.000 0.874 375 T HN 0.474 nan 8.240 nan 0.000 0.494 376 S N 0.587 116.302 115.700 0.024 0.000 2.561 376 S HA 0.165 4.636 4.470 0.001 0.000 0.225 376 S C 0.975 175.447 174.600 -0.214 0.000 0.977 376 S CA 0.280 58.418 58.200 -0.103 0.000 0.926 376 S CB -0.285 62.812 63.200 -0.172 0.000 0.769 376 S HN 0.489 nan 8.310 nan 0.000 0.533 377 F N 0.857 120.784 119.950 -0.038 0.000 2.695 377 F HA 0.326 4.854 4.527 0.001 0.000 0.303 377 F C 0.791 176.587 175.800 -0.006 0.000 1.091 377 F CA -0.163 57.821 58.000 -0.027 0.000 1.300 377 F CB 0.019 38.992 39.000 -0.045 0.000 1.071 377 F HN 0.095 nan 8.300 nan 0.000 0.578 378 M N 0.509 120.179 119.600 0.116 0.000 2.240 378 M HA -0.003 4.478 4.480 0.001 0.000 0.333 378 M C 1.120 177.448 176.300 0.046 0.000 1.110 378 M CA 0.232 55.574 55.300 0.071 0.000 1.173 378 M CB 0.247 32.872 32.600 0.042 0.000 1.458 378 M HN 0.024 nan 8.290 nan 0.000 0.458 379 D N 1.537 121.964 120.400 0.044 0.000 2.149 379 D HA -0.158 4.483 4.640 0.001 0.000 0.198 379 D C 1.252 177.565 176.300 0.022 0.000 0.990 379 D CA 1.431 55.452 54.000 0.034 0.000 0.839 379 D CB -0.236 40.584 40.800 0.032 0.000 0.948 379 D HN 0.642 nan 8.370 nan 0.000 0.460 380 N N -0.206 118.504 118.700 0.016 0.000 2.515 380 N HA -0.076 4.665 4.740 0.001 0.000 0.191 380 N C -0.216 175.293 175.510 -0.001 0.000 1.182 380 N CA 0.035 53.090 53.050 0.008 0.000 0.879 380 N CB 0.056 38.547 38.487 0.006 0.000 0.984 380 N HN -0.139 nan 8.380 nan 0.000 0.453 381 S N -0.562 115.135 115.700 -0.005 0.000 2.475 381 S HA 0.194 4.665 4.470 0.001 0.000 0.298 381 S C 0.675 175.264 174.600 -0.019 0.000 1.119 381 S CA -0.728 57.460 58.200 -0.021 0.000 1.085 381 S CB 1.516 64.692 63.200 -0.041 0.000 1.028 381 S HN 0.280 nan 8.310 nan 0.000 0.489 382 E N 3.402 123.592 120.200 -0.016 0.000 2.208 382 E HA -0.062 4.288 4.350 0.001 0.000 0.193 382 E C 1.422 178.023 176.600 0.001 0.000 0.988 382 E CA 0.785 57.184 56.400 -0.001 0.000 0.828 382 E CB -0.051 29.651 29.700 0.004 0.000 0.763 382 E HN 0.791 nan 8.360 nan 0.000 0.478 383 L N 1.095 122.303 121.223 -0.025 0.000 2.017 383 L HA -0.236 4.105 4.340 0.001 0.000 0.208 383 L C 2.958 179.811 176.870 -0.029 0.000 1.073 383 L CA 1.362 56.188 54.840 -0.024 0.000 0.745 383 L CB -0.806 41.211 42.059 -0.071 0.000 0.894 383 L HN 0.281 nan 8.230 nan 0.000 0.432 384 Q N 1.243 120.976 119.800 -0.111 0.000 2.152 384 Q HA -0.295 4.046 4.340 0.001 0.000 0.206 384 Q C 2.211 178.257 176.000 0.076 0.000 0.985 384 Q CA 2.025 57.774 55.803 -0.089 0.000 0.863 384 Q CB -0.217 28.454 28.738 -0.111 0.000 0.904 384 Q HN 0.457 nan 8.270 nan 0.000 0.422 385 R N -0.270 120.263 120.500 0.054 0.000 2.090 385 R HA -0.019 4.322 4.340 0.001 0.000 0.228 385 R C 2.653 179.003 176.300 0.083 0.000 1.110 385 R CA 0.887 57.027 56.100 0.067 0.000 0.973 385 R CB -0.096 30.233 30.300 0.049 0.000 0.869 385 R HN 0.325 nan 8.270 nan 0.000 0.440 386 L N -0.115 121.163 121.223 0.091 0.000 2.027 386 L HA -0.136 4.205 4.340 0.001 0.000 0.206 386 L C 2.306 179.259 176.870 0.138 0.000 1.074 386 L CA 1.138 56.038 54.840 0.099 0.000 0.745 386 L CB -0.576 41.538 42.059 0.093 0.000 0.898 386 L HN 0.183 nan 8.230 nan 0.000 0.433 387 F N 0.991 120.955 119.950 0.024 0.000 2.095 387 F HA -0.245 4.283 4.527 0.001 0.000 0.298 387 F C 2.691 178.582 175.800 0.153 0.000 1.104 387 F CA 1.582 59.628 58.000 0.076 0.000 1.232 387 F CB -0.246 38.747 39.000 -0.012 0.000 0.987 387 F HN -0.139 nan 8.300 nan 0.000 0.475 388 R N 0.260 120.739 120.500 -0.036 0.000 2.070 388 R HA -0.172 4.169 4.340 0.001 0.000 0.232 388 R C 1.948 178.205 176.300 -0.071 0.000 1.138 388 R CA 1.834 57.857 56.100 -0.129 0.000 0.936 388 R CB -0.854 29.456 30.300 0.017 0.000 0.839 388 R HN 0.285 nan 8.270 nan 0.000 0.429 389 D N 0.505 120.905 120.400 -0.001 0.000 2.123 389 D HA -0.158 4.483 4.640 0.001 0.000 0.196 389 D C 1.789 178.100 176.300 0.018 0.000 0.992 389 D CA 1.561 55.571 54.000 0.016 0.000 0.833 389 D CB -0.349 40.479 40.800 0.048 0.000 0.954 389 D HN 0.286 nan 8.370 nan 0.000 0.455 390 A N 0.723 123.545 122.820 0.004 0.000 1.883 390 A HA -0.240 4.081 4.320 0.001 0.000 0.217 390 A C 2.006 179.539 177.584 -0.084 0.000 1.186 390 A CA 1.522 53.544 52.037 -0.025 0.000 0.624 390 A CB -0.914 18.060 19.000 -0.043 0.000 0.822 390 A HN 0.363 nan 8.150 nan 0.000 0.444 391 H N -1.914 117.049 119.070 -0.179 0.000 2.421 391 H HA -0.130 4.427 4.556 0.002 0.000 0.298 391 H C 2.055 177.339 175.328 -0.074 0.000 1.087 391 H CA 2.004 57.954 56.048 -0.164 0.000 1.330 391 H CB -0.149 29.429 29.762 -0.306 0.000 1.388 391 H HN 0.545 nan 8.280 nan 0.000 0.526 392 M N 1.142 120.770 119.600 0.047 0.000 2.213 392 M HA -0.130 4.350 4.480 0.001 0.000 0.263 392 M C 2.396 178.724 176.300 0.048 0.000 1.062 392 M CA 1.750 57.065 55.300 0.026 0.000 1.105 392 M CB -0.449 32.138 32.600 -0.022 0.000 1.385 392 M HN 0.215 nan 8.290 nan 0.000 0.417 393 T N -3.191 111.423 114.554 0.100 0.000 3.007 393 T HA 0.057 4.408 4.350 0.001 0.000 0.270 393 T C 1.722 176.545 174.700 0.206 0.000 1.107 393 T CA 1.045 63.305 62.100 0.267 0.000 1.118 393 T CB -1.062 67.995 68.868 0.315 0.000 0.889 393 T HN 0.498 nan 8.240 nan 0.000 0.506 394 G N -0.146 108.717 108.800 0.106 0.000 3.141 394 G HA2 0.509 4.470 3.960 0.001 0.000 0.218 394 G HA3 0.509 4.470 3.960 0.001 0.000 0.218 394 G C 1.233 176.188 174.900 0.093 0.000 1.170 394 G CA 0.211 45.364 45.100 0.087 0.000 0.769 394 G HN 0.663 nan 8.290 nan 0.000 0.546 395 A N -0.500 122.377 122.820 0.095 0.000 2.303 395 A HA 0.265 4.586 4.320 0.001 0.000 0.217 395 A C 0.910 178.504 177.584 0.017 0.000 1.205 395 A CA -0.345 51.724 52.037 0.053 0.000 0.875 395 A CB -0.266 18.759 19.000 0.041 0.000 0.910 395 A HN 0.403 nan 8.150 nan 0.000 0.501 396 H N -0.148 118.899 119.070 -0.038 0.000 2.771 396 H HA 0.334 4.891 4.556 0.001 0.000 0.364 396 H C 1.461 176.737 175.328 -0.086 0.000 1.133 396 H CA 0.524 56.501 56.048 -0.120 0.000 1.423 396 H CB 1.264 30.884 29.762 -0.237 0.000 1.425 396 H HN 0.140 nan 8.280 nan 0.000 0.606 397 A N 4.291 126.936 122.820 -0.291 0.000 1.972 397 A HA -0.235 4.086 4.320 0.001 0.000 0.219 397 A C 1.985 179.690 177.584 0.201 0.000 1.169 397 A CA 1.349 53.363 52.037 -0.039 0.000 0.635 397 A CB -0.777 18.160 19.000 -0.104 0.000 0.810 397 A HN 0.828 nan 8.150 nan 0.000 0.446 398 Y N 1.116 121.623 120.300 0.345 0.000 2.519 398 Y HA -0.038 4.512 4.550 0.001 0.000 0.287 398 Y C 2.239 178.233 175.900 0.157 0.000 1.128 398 Y CA 1.741 59.982 58.100 0.234 0.000 1.282 398 Y CB 0.163 38.774 38.460 0.251 0.000 1.027 398 Y HN 0.385 nan 8.280 nan 0.000 0.551 399 T N -3.011 111.659 114.554 0.193 0.000 3.054 399 T HA 0.055 4.405 4.350 0.001 0.000 0.255 399 T C 0.308 175.085 174.700 0.128 0.000 1.035 399 T CA -0.094 62.096 62.100 0.150 0.000 0.941 399 T CB -0.281 68.687 68.868 0.167 0.000 1.026 399 T HN 0.156 nan 8.240 nan 0.000 0.533 400 D N 1.083 121.538 120.400 0.092 0.000 2.412 400 D HA -0.058 4.583 4.640 0.001 0.000 0.257 400 D C 0.465 176.821 176.300 0.092 0.000 1.217 400 D CA -0.362 53.687 54.000 0.082 0.000 0.897 400 D CB 0.293 41.116 40.800 0.039 0.000 1.132 400 D HN 0.262 nan 8.370 nan 0.000 0.493 401 Y N 3.836 124.150 120.300 0.024 0.000 2.373 401 Y HA -0.127 4.424 4.550 0.001 0.000 0.293 401 Y C 1.583 177.499 175.900 0.026 0.000 1.129 401 Y CA 1.133 59.254 58.100 0.034 0.000 1.226 401 Y CB 0.258 38.754 38.460 0.061 0.000 1.000 401 Y HN 0.422 nan 8.280 nan 0.000 0.549 402 D N -0.590 119.819 120.400 0.015 0.000 2.116 402 D HA -0.203 4.438 4.640 0.001 0.000 0.193 402 D C 2.364 178.578 176.300 -0.144 0.000 0.998 402 D CA 1.791 55.757 54.000 -0.056 0.000 0.836 402 D CB -0.399 40.405 40.800 0.006 0.000 0.951 402 D HN 0.262 nan 8.370 nan 0.000 0.449 403 V N 0.454 120.299 119.914 -0.115 0.000 2.343 403 V HA -0.252 3.869 4.120 0.001 0.000 0.247 403 V C 2.723 178.702 176.094 -0.191 0.000 1.051 403 V CA 1.223 63.452 62.300 -0.119 0.000 1.036 403 V CB -0.438 31.338 31.823 -0.078 0.000 0.654 403 V HN 0.291 nan 8.190 nan 0.000 0.451 404 C N 0.112 119.250 119.300 -0.271 0.000 2.446 404 C HA -0.034 4.427 4.460 0.001 0.000 0.277 404 C C 3.092 177.813 174.990 -0.449 0.000 1.275 404 C CA 0.703 59.519 59.018 -0.336 0.000 1.727 404 C CB -1.241 26.324 27.740 -0.292 0.000 2.010 404 C HN 0.630 nan 8.230 nan 0.000 0.486 405 A N -0.079 122.332 122.820 -0.682 0.000 1.933 405 A HA -0.250 4.071 4.320 0.001 0.000 0.218 405 A C 2.040 179.470 177.584 -0.257 0.000 1.175 405 A CA 1.645 53.379 52.037 -0.506 0.000 0.628 405 A CB -0.552 18.171 19.000 -0.462 0.000 0.814 405 A HN 0.766 nan 8.150 nan 0.000 0.444 406 Q N -0.657 119.016 119.800 -0.212 0.000 2.172 406 Q HA -0.003 4.337 4.340 0.001 0.000 0.200 406 Q C 1.940 177.859 176.000 -0.134 0.000 0.964 406 Q CA 1.152 56.872 55.803 -0.138 0.000 0.855 406 Q CB -0.229 28.446 28.738 -0.104 0.000 0.918 406 Q HN 0.736 nan 8.270 nan 0.000 0.444 407 I N 0.207 120.684 120.570 -0.155 0.000 2.090 407 I HA -0.283 3.888 4.170 0.001 0.000 0.236 407 I C 2.207 178.229 176.117 -0.159 0.000 1.064 407 I CA 0.723 61.941 61.300 -0.136 0.000 1.324 407 I CB -0.301 37.621 38.000 -0.131 0.000 1.044 407 I HN 0.224 nan 8.210 nan 0.000 0.399 408 L N 1.348 122.450 121.223 -0.202 0.000 1.990 408 L HA -0.177 4.164 4.340 0.001 0.000 0.213 408 L C 2.356 179.100 176.870 -0.210 0.000 1.072 408 L CA 2.472 57.157 54.840 -0.258 0.000 0.755 408 L CB -1.493 40.390 42.059 -0.294 0.000 0.889 408 L HN 0.292 nan 8.230 nan 0.000 0.432 409 G N -0.830 107.873 108.800 -0.162 0.000 2.529 409 G HA2 -0.365 3.596 3.960 0.001 0.000 0.219 409 G HA3 -0.365 3.596 3.960 0.001 0.000 0.219 409 G C 1.769 176.610 174.900 -0.098 0.000 1.177 409 G CA 1.165 46.197 45.100 -0.115 0.000 0.773 409 G HN 0.456 nan 8.290 nan 0.000 0.573 410 R N -0.103 120.340 120.500 -0.095 0.000 2.105 410 R HA -0.075 4.265 4.340 0.001 0.000 0.239 410 R C 2.514 178.766 176.300 -0.079 0.000 1.135 410 R CA 1.394 57.449 56.100 -0.075 0.000 0.967 410 R CB -0.236 30.023 30.300 -0.068 0.000 0.861 410 R HN 0.373 nan 8.270 nan 0.000 0.442 411 E N 1.038 121.174 120.200 -0.106 0.000 2.072 411 E HA -0.125 4.226 4.350 0.001 0.000 0.191 411 E C 1.802 178.345 176.600 -0.096 0.000 0.985 411 E CA 1.232 57.567 56.400 -0.109 0.000 0.801 411 E CB -0.164 29.442 29.700 -0.156 0.000 0.750 411 E HN 0.263 nan 8.360 nan 0.000 0.452 412 L N -0.375 120.781 121.223 -0.111 0.000 2.141 412 L HA -0.078 4.263 4.340 0.001 0.000 0.209 412 L C 1.931 178.776 176.870 -0.042 0.000 1.094 412 L CA 0.700 55.496 54.840 -0.074 0.000 0.763 412 L CB -0.305 41.708 42.059 -0.077 0.000 0.908 412 L HN 0.202 nan 8.230 nan 0.000 0.437 413 M N -0.314 119.259 119.600 -0.045 0.000 2.563 413 M HA 0.225 4.705 4.480 0.001 0.000 0.231 413 M C 1.217 177.500 176.300 -0.028 0.000 1.136 413 M CA 0.433 55.715 55.300 -0.031 0.000 1.026 413 M CB -0.776 31.806 32.600 -0.030 0.000 1.597 413 M HN 0.327 nan 8.290 nan 0.000 0.495 414 G N 2.162 110.942 108.800 -0.033 0.000 2.272 414 G HA2 -0.255 3.706 3.960 0.001 0.000 0.280 414 G HA3 -0.255 3.706 3.960 0.001 0.000 0.280 414 G C -0.059 174.824 174.900 -0.027 0.000 1.067 414 G CA 0.120 45.204 45.100 -0.028 0.000 0.902 414 G HN 0.447 nan 8.290 nan 0.000 0.500 415 M N 0.074 119.653 119.600 -0.034 0.000 2.478 415 M HA 0.417 4.898 4.480 0.001 0.000 0.327 415 M C 0.429 176.710 176.300 -0.031 0.000 1.187 415 M CA -0.954 54.328 55.300 -0.031 0.000 1.022 415 M CB 0.962 33.542 32.600 -0.033 0.000 1.629 415 M HN 0.007 nan 8.290 nan 0.000 0.461 416 E N 2.383 122.568 120.200 -0.025 0.000 2.442 416 E HA 0.109 4.460 4.350 0.001 0.000 0.262 416 E C -2.240 174.343 176.600 -0.027 0.000 1.004 416 E CA -1.191 55.195 56.400 -0.023 0.000 0.928 416 E CB -0.312 29.376 29.700 -0.018 0.000 0.937 416 E HN 0.287 nan 8.360 nan 0.000 0.446 417 P HA 0.014 nan 4.420 nan 0.000 0.272 417 P C -0.371 176.915 177.300 -0.024 0.000 1.223 417 P CA -0.173 62.910 63.100 -0.028 0.000 0.784 417 P CB 0.473 32.161 31.700 -0.020 0.000 0.923 418 D N 2.643 123.026 120.400 -0.028 0.000 2.336 418 D HA 0.089 4.730 4.640 0.001 0.000 0.249 418 D C -1.368 174.921 176.300 -0.019 0.000 1.213 418 D CA -2.148 51.837 54.000 -0.024 0.000 0.870 418 D CB 0.434 41.216 40.800 -0.030 0.000 1.076 418 D HN 0.181 nan 8.370 nan 0.000 0.483 419 P HA -0.046 nan 4.420 nan 0.000 0.239 419 P C 1.015 178.305 177.300 -0.015 0.000 1.184 419 P CA 0.409 63.502 63.100 -0.012 0.000 0.760 419 P CB 0.349 32.044 31.700 -0.009 0.000 0.884 420 T N -0.277 114.267 114.554 -0.017 0.000 2.995 420 T HA 0.072 4.422 4.350 0.001 0.000 0.269 420 T C 1.094 175.783 174.700 -0.018 0.000 1.091 420 T CA 0.798 62.888 62.100 -0.016 0.000 1.128 420 T CB -0.269 68.589 68.868 -0.015 0.000 0.891 420 T HN 0.247 nan 8.240 nan 0.000 0.492 421 M N -1.157 118.431 119.600 -0.020 0.000 2.667 421 M HA 0.837 5.317 4.480 0.001 0.000 0.286 421 M C -1.407 174.887 176.300 -0.009 0.000 1.270 421 M CA -1.008 54.281 55.300 -0.018 0.000 0.826 421 M CB 2.460 35.042 32.600 -0.030 0.000 1.743 421 M HN -0.193 nan 8.290 nan 0.000 0.460 422 V N 0.000 119.918 119.914 0.007 0.000 2.409 422 V HA 0.000 4.121 4.120 0.001 0.000 0.244 422 V CA 0.000 62.324 62.300 0.040 0.000 1.235 422 V CB 0.000 31.857 31.823 0.057 0.000 1.184 422 V HN 0.000 nan 8.190 nan 0.000 0.556