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 1u0m_1_B DATA FIRST_RESID 2 DATA SEQUENCE ATLCRPSVSV PEHVITMEET LELARRRHTD HPQLPLALRL IENTGVRTRH DATA SEQUENCE IVQPIEDTLE HPGFEDRNKV YEREAKSRVP AVIQRALDDA ELLATDIDVI DATA SEQUENCE IYVSCTGFMM PSLTAWLINE MGFDSTTRQI PIAQLGCAAG GAAINRAHDF DATA SEQUENCE CTAYPEANAL IVACEFCSLC YQPTDLGVGS LLCNGLFGDG IAAAVVRGRG DATA SEQUENCE GTGVRLERNG SYLIPKTEDW IMYDVKATGF HFLLDKRVPA TMEPLAPALK DATA SEQUENCE ELAGEHGWDA SDLDFYIVHA GGPRILDDLS TFLEVDPHAF RFSRATLTEY DATA SEQUENCE GNIASAVVLD ALRRLFDEGG VEEGARGLLA GFGPGITAEM SLGCWQTA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.531 177.584 -0.089 0.000 1.274 2 A CA 0.000 51.982 52.037 -0.091 0.000 0.836 2 A CB 0.000 18.924 19.000 -0.127 0.000 0.831 3 T N 1.941 116.457 114.554 -0.064 0.000 2.879 3 T HA 0.561 4.912 4.350 0.000 0.000 0.290 3 T C -0.838 173.833 174.700 -0.048 0.000 0.993 3 T CA -0.378 61.676 62.100 -0.076 0.000 0.975 3 T CB 0.600 69.402 68.868 -0.109 0.000 0.981 3 T HN 0.907 nan 8.240 nan 0.000 0.439 4 L N 5.318 126.522 121.223 -0.032 0.000 2.418 4 L HA 0.379 4.719 4.340 0.000 0.000 0.274 4 L C 0.111 177.008 176.870 0.044 0.000 1.135 4 L CA -0.471 54.380 54.840 0.019 0.000 0.870 4 L CB -0.049 42.050 42.059 0.067 0.000 1.154 4 L HN 0.821 nan 8.230 nan 0.000 0.462 5 C N 2.779 122.101 119.300 0.037 0.000 2.325 5 C HA 0.530 4.990 4.460 0.000 0.000 0.370 5 C C 1.014 175.954 174.990 -0.084 0.000 1.217 5 C CA -0.951 58.108 59.018 0.069 0.000 2.254 5 C CB 0.959 28.715 27.740 0.028 0.000 2.282 5 C HN 0.885 nan 8.230 nan 0.000 0.564 6 R N 2.308 122.723 120.500 -0.142 0.000 2.638 6 R HA 0.216 4.556 4.340 0.000 0.000 0.351 6 R C -2.357 173.672 176.300 -0.451 0.000 0.871 6 R CA -0.205 55.453 56.100 -0.737 0.000 1.091 6 R CB -1.727 28.431 30.300 -0.237 0.000 0.900 6 R HN 0.716 nan 8.270 nan 0.000 0.405 7 P HA 0.154 nan 4.420 nan 0.000 0.276 7 P C -0.818 176.372 177.300 -0.183 0.000 1.235 7 P CA -0.135 62.815 63.100 -0.250 0.000 0.772 7 P CB 1.411 32.985 31.700 -0.210 0.000 0.871 8 S N 1.693 117.330 115.700 -0.105 0.000 2.562 8 S HA 0.460 4.930 4.470 0.000 0.000 0.275 8 S C 0.074 174.645 174.600 -0.049 0.000 1.281 8 S CA -0.482 57.680 58.200 -0.064 0.000 1.045 8 S CB 0.753 63.931 63.200 -0.037 0.000 0.962 8 S HN 0.273 nan 8.310 nan 0.000 0.503 9 V N 1.988 121.883 119.914 -0.032 0.000 2.760 9 V HA 0.704 4.824 4.120 0.000 0.000 0.309 9 V C -0.429 175.631 176.094 -0.057 0.000 1.077 9 V CA -0.604 61.675 62.300 -0.036 0.000 0.910 9 V CB 2.172 33.998 31.823 0.005 0.000 1.008 9 V HN 0.788 nan 8.190 nan 0.000 0.424 10 S N 2.815 118.457 115.700 -0.097 0.000 2.571 10 S HA 0.838 5.308 4.470 0.000 0.000 0.284 10 S C -0.997 173.481 174.600 -0.203 0.000 1.128 10 S CA -0.466 57.659 58.200 -0.125 0.000 0.970 10 S CB 1.676 64.841 63.200 -0.059 0.000 1.039 10 S HN 1.204 nan 8.310 nan 0.000 0.485 11 V N 2.666 122.383 119.914 -0.329 0.000 2.769 11 V HA 0.835 4.955 4.120 0.000 0.000 0.312 11 V C -2.512 173.447 176.094 -0.224 0.000 1.061 11 V CA -2.374 59.691 62.300 -0.391 0.000 0.931 11 V CB 1.232 32.509 31.823 -0.910 0.000 1.010 11 V HN 0.761 nan 8.190 nan 0.000 0.433 12 P HA 0.131 nan 4.420 nan 0.000 0.271 12 P C 0.319 177.661 177.300 0.070 0.000 1.233 12 P CA 0.119 63.226 63.100 0.012 0.000 0.789 12 P CB 0.717 32.456 31.700 0.064 0.000 0.951 13 E N 0.329 120.508 120.200 -0.035 0.000 2.427 13 E HA -0.111 4.239 4.350 0.000 0.000 0.196 13 E C 0.060 176.572 176.600 -0.146 0.000 1.028 13 E CA 0.924 57.271 56.400 -0.087 0.000 0.864 13 E CB -0.622 28.951 29.700 -0.212 0.000 0.813 13 E HN 0.519 nan 8.360 nan 0.000 0.514 14 H N 1.570 120.672 119.070 0.052 0.000 2.934 14 H HA 0.280 4.836 4.556 0.000 0.000 0.273 14 H C -0.249 175.052 175.328 -0.044 0.000 1.121 14 H CA -0.368 55.681 56.048 0.001 0.000 1.451 14 H CB 0.862 30.615 29.762 -0.015 0.000 1.469 14 H HN -0.107 nan 8.280 nan 0.000 0.476 15 V N 5.867 125.768 119.914 -0.021 0.000 2.539 15 V HA 0.275 4.395 4.120 0.000 0.000 0.292 15 V C 0.578 176.619 176.094 -0.088 0.000 1.045 15 V CA -0.687 61.509 62.300 -0.173 0.000 0.945 15 V CB 2.030 33.729 31.823 -0.205 0.000 0.993 15 V HN 0.629 nan 8.190 nan 0.000 0.464 16 I N 4.110 124.617 120.570 -0.105 0.000 2.478 16 I HA 0.527 4.697 4.170 0.000 0.000 0.287 16 I C 0.426 176.512 176.117 -0.051 0.000 1.042 16 I CA -0.054 61.213 61.300 -0.055 0.000 1.067 16 I CB 1.974 39.951 38.000 -0.038 0.000 1.233 16 I HN 0.868 nan 8.210 nan 0.000 0.431 17 T N 2.760 117.292 114.554 -0.036 0.000 2.824 17 T HA 0.218 4.568 4.350 0.000 0.000 0.277 17 T C 0.982 175.674 174.700 -0.012 0.000 0.975 17 T CA -0.445 61.641 62.100 -0.023 0.000 0.966 17 T CB 1.395 70.253 68.868 -0.017 0.000 1.054 17 T HN 0.774 nan 8.240 nan 0.000 0.533 18 M N 0.433 120.029 119.600 -0.006 0.000 2.065 18 M HA -0.052 4.429 4.480 0.000 0.000 0.259 18 M C 2.195 178.495 176.300 -0.000 0.000 1.069 18 M CA 2.083 57.382 55.300 -0.001 0.000 1.110 18 M CB -0.857 31.743 32.600 0.000 0.000 1.328 18 M HN 0.836 nan 8.290 nan 0.000 0.405 19 E N 0.530 120.730 120.200 -0.001 0.000 2.049 19 E HA -0.270 4.080 4.350 0.000 0.000 0.198 19 E C 1.789 178.390 176.600 0.001 0.000 1.007 19 E CA 2.429 58.829 56.400 0.001 0.000 0.809 19 E CB -0.395 29.306 29.700 0.000 0.000 0.749 19 E HN 0.824 nan 8.360 nan 0.000 0.450 20 E N -1.236 118.962 120.200 -0.002 0.000 2.150 20 E HA -0.132 4.218 4.350 0.000 0.000 0.193 20 E C 2.044 178.643 176.600 -0.003 0.000 0.985 20 E CA 1.452 57.850 56.400 -0.003 0.000 0.814 20 E CB -0.431 29.264 29.700 -0.009 0.000 0.752 20 E HN 0.105 nan 8.360 nan 0.000 0.466 21 T N 1.869 116.420 114.554 -0.004 0.000 2.684 21 T HA -0.117 4.233 4.350 0.000 0.000 0.267 21 T C 1.747 176.453 174.700 0.011 0.000 1.036 21 T CA 1.018 63.117 62.100 -0.002 0.000 1.148 21 T CB -0.123 68.745 68.868 0.000 0.000 0.863 21 T HN 0.054 nan 8.240 nan 0.000 0.436 22 L N 1.328 122.557 121.223 0.011 0.000 2.042 22 L HA -0.061 4.279 4.340 0.000 0.000 0.210 22 L C 2.452 179.338 176.870 0.026 0.000 1.076 22 L CA 1.764 56.614 54.840 0.016 0.000 0.749 22 L CB -1.357 40.709 42.059 0.011 0.000 0.893 22 L HN 0.450 nan 8.230 nan 0.000 0.432 23 E N -0.369 119.843 120.200 0.020 0.000 2.051 23 E HA -0.211 4.139 4.350 0.000 0.000 0.192 23 E C 2.369 178.989 176.600 0.033 0.000 0.991 23 E CA 0.890 57.304 56.400 0.023 0.000 0.799 23 E CB -0.143 29.565 29.700 0.014 0.000 0.748 23 E HN 0.415 nan 8.360 nan 0.000 0.449 24 L N 0.751 121.992 121.223 0.030 0.000 1.994 24 L HA -0.188 4.152 4.340 0.000 0.000 0.208 24 L C 2.692 179.618 176.870 0.093 0.000 1.071 24 L CA 1.100 55.964 54.840 0.039 0.000 0.745 24 L CB -0.609 41.458 42.059 0.013 0.000 0.892 24 L HN 0.140 nan 8.230 nan 0.000 0.431 25 A N -0.047 122.842 122.820 0.115 0.000 1.908 25 A HA -0.270 4.050 4.320 0.000 0.000 0.218 25 A C 2.398 180.119 177.584 0.228 0.000 1.181 25 A CA 2.029 54.194 52.037 0.214 0.000 0.627 25 A CB -0.565 18.483 19.000 0.080 0.000 0.818 25 A HN 0.312 nan 8.150 nan 0.000 0.445 26 R N -1.088 119.483 120.500 0.117 0.000 2.062 26 R HA -0.089 4.251 4.340 0.000 0.000 0.231 26 R C 2.475 178.828 176.300 0.089 0.000 1.136 26 R CA 1.679 57.836 56.100 0.096 0.000 0.948 26 R CB -0.262 30.072 30.300 0.057 0.000 0.845 26 R HN 0.483 nan 8.270 nan 0.000 0.430 27 R N 0.220 120.757 120.500 0.063 0.000 2.117 27 R HA -0.128 4.212 4.340 0.000 0.000 0.243 27 R C 2.024 178.335 176.300 0.017 0.000 1.143 27 R CA 1.874 57.996 56.100 0.037 0.000 0.968 27 R CB 0.019 30.334 30.300 0.025 0.000 0.863 27 R HN 0.165 nan 8.270 nan 0.000 0.444 28 R N -2.198 118.307 120.500 0.008 0.000 2.173 28 R HA 0.042 4.382 4.340 0.000 0.000 0.208 28 R C 0.580 176.707 176.300 -0.289 0.000 1.035 28 R CA 1.044 57.059 56.100 -0.141 0.000 1.004 28 R CB 0.232 30.413 30.300 -0.198 0.000 0.917 28 R HN 0.375 nan 8.270 nan 0.000 0.462 29 H N -1.098 118.019 119.070 0.078 0.000 2.467 29 H HA 0.141 4.697 4.556 0.000 0.000 0.275 29 H C 1.028 176.417 175.328 0.102 0.000 1.131 29 H CA -0.182 55.931 56.048 0.108 0.000 0.989 29 H CB 0.812 30.644 29.762 0.117 0.000 1.696 29 H HN -0.051 nan 8.280 nan 0.000 0.574 30 T N -0.050 114.581 114.554 0.129 0.000 2.714 30 T HA -0.210 4.141 4.350 0.000 0.000 0.268 30 T C 1.267 176.031 174.700 0.106 0.000 1.036 30 T CA 2.188 64.348 62.100 0.100 0.000 1.148 30 T CB -0.091 68.811 68.868 0.057 0.000 0.856 30 T HN 0.400 nan 8.240 nan 0.000 0.462 31 D N -0.426 120.039 120.400 0.108 0.000 2.349 31 D HA 0.069 4.709 4.640 0.000 0.000 0.214 31 D C 0.551 176.919 176.300 0.112 0.000 1.063 31 D CA -0.013 54.039 54.000 0.087 0.000 0.847 31 D CB -0.408 40.420 40.800 0.047 0.000 0.933 31 D HN 0.499 nan 8.370 nan 0.000 0.513 32 H N 1.894 121.019 119.070 0.091 0.000 3.107 32 H HA 0.003 4.559 4.556 0.000 0.000 0.301 32 H C -1.538 173.821 175.328 0.051 0.000 0.981 32 H CA -0.949 55.150 56.048 0.084 0.000 1.443 32 H CB 1.417 31.247 29.762 0.114 0.000 1.479 32 H HN -0.149 nan 8.280 nan 0.000 0.564 33 P HA -0.126 nan 4.420 nan 0.000 0.218 33 P C 0.342 177.770 177.300 0.213 0.000 1.146 33 P CA 1.499 64.651 63.100 0.086 0.000 0.813 33 P CB 0.266 31.946 31.700 -0.033 0.000 0.778 34 Q N -1.635 118.470 119.800 0.509 0.000 2.186 34 Q HA 0.161 4.501 4.340 0.000 0.000 0.241 34 Q C 1.242 177.280 176.000 0.064 0.000 0.849 34 Q CA -0.367 55.579 55.803 0.239 0.000 1.053 34 Q CB -0.068 28.797 28.738 0.211 0.000 1.146 34 Q HN 0.133 nan 8.270 nan 0.000 0.475 35 L N 1.796 123.087 121.223 0.114 0.000 2.012 35 L HA -0.092 4.248 4.340 0.000 0.000 0.210 35 L C -0.987 175.880 176.870 -0.005 0.000 1.073 35 L CA 2.162 57.005 54.840 0.006 0.000 0.748 35 L CB -0.808 41.305 42.059 0.089 0.000 0.891 35 L HN 0.086 nan 8.230 nan 0.000 0.431 36 P HA -0.176 nan 4.420 nan 0.000 0.215 36 P C 1.948 179.248 177.300 0.001 0.000 1.157 36 P CA 1.316 64.425 63.100 0.015 0.000 0.868 36 P CB -0.143 31.572 31.700 0.025 0.000 0.788 37 L N -0.240 120.983 121.223 0.001 0.000 2.012 37 L HA -0.173 4.167 4.340 0.000 0.000 0.210 37 L C 2.214 179.068 176.870 -0.027 0.000 1.073 37 L CA 2.303 57.139 54.840 -0.007 0.000 0.748 37 L CB -1.568 40.492 42.059 0.001 0.000 0.891 37 L HN -0.112 nan 8.230 nan 0.000 0.431 38 A N -0.397 122.386 122.820 -0.063 0.000 1.873 38 A HA -0.199 4.121 4.320 0.000 0.000 0.218 38 A C 2.132 179.683 177.584 -0.056 0.000 1.193 38 A CA 2.145 54.127 52.037 -0.092 0.000 0.629 38 A CB -0.986 17.897 19.000 -0.196 0.000 0.826 38 A HN 0.452 nan 8.150 nan 0.000 0.447 39 L N -0.413 120.785 121.223 -0.042 0.000 2.046 39 L HA -0.122 4.218 4.340 0.000 0.000 0.208 39 L C 2.546 179.410 176.870 -0.009 0.000 1.077 39 L CA 2.208 57.036 54.840 -0.019 0.000 0.747 39 L CB -1.514 40.541 42.059 -0.006 0.000 0.896 39 L HN 0.575 nan 8.230 nan 0.000 0.432 40 R N -0.398 120.098 120.500 -0.007 0.000 2.083 40 R HA -0.196 4.144 4.340 0.000 0.000 0.237 40 R C 2.320 178.619 176.300 -0.001 0.000 1.137 40 R CA 1.360 57.459 56.100 -0.002 0.000 0.951 40 R CB -0.171 30.129 30.300 0.001 0.000 0.851 40 R HN 0.147 nan 8.270 nan 0.000 0.434 41 L N 0.961 122.182 121.223 -0.004 0.000 2.012 41 L HA -0.198 4.142 4.340 0.000 0.000 0.210 41 L C 2.326 179.199 176.870 0.005 0.000 1.073 41 L CA 1.725 56.566 54.840 0.001 0.000 0.748 41 L CB -0.629 41.430 42.059 -0.001 0.000 0.891 41 L HN 0.280 nan 8.230 nan 0.000 0.431 42 I N -0.879 119.692 120.570 0.001 0.000 2.113 42 I HA -0.322 3.848 4.170 0.000 0.000 0.238 42 I C 2.522 178.642 176.117 0.005 0.000 1.070 42 I CA 1.548 62.852 61.300 0.006 0.000 1.332 42 I CB -0.398 37.604 38.000 0.003 0.000 1.044 42 I HN 0.373 nan 8.210 nan 0.000 0.402 43 E N 0.949 121.151 120.200 0.003 0.000 2.219 43 E HA -0.263 4.087 4.350 0.000 0.000 0.198 43 E C 1.652 178.254 176.600 0.003 0.000 0.998 43 E CA 1.174 57.575 56.400 0.003 0.000 0.818 43 E CB 0.034 29.735 29.700 0.003 0.000 0.741 43 E HN 0.373 nan 8.360 nan 0.000 0.477 44 N N -0.371 118.331 118.700 0.004 0.000 2.457 44 N HA -0.078 4.662 4.740 0.000 0.000 0.180 44 N C 1.548 177.062 175.510 0.006 0.000 1.050 44 N CA 1.369 54.422 53.050 0.005 0.000 0.906 44 N CB -0.106 38.385 38.487 0.006 0.000 0.968 44 N HN 0.304 nan 8.380 nan 0.000 0.445 45 T N -3.463 111.095 114.554 0.006 0.000 3.072 45 T HA 0.077 4.427 4.350 0.000 0.000 0.266 45 T C 1.527 176.228 174.700 0.001 0.000 1.127 45 T CA 0.977 63.079 62.100 0.004 0.000 1.107 45 T CB -0.285 68.582 68.868 -0.001 0.000 0.910 45 T HN 0.229 nan 8.240 nan 0.000 0.513 46 G N 0.645 109.445 108.800 0.001 0.000 2.168 46 G HA2 -0.253 3.707 3.960 0.000 0.000 0.263 46 G HA3 -0.253 3.707 3.960 0.000 0.000 0.263 46 G C 0.146 175.045 174.900 -0.002 0.000 0.977 46 G CA 0.074 45.173 45.100 -0.000 0.000 0.659 46 G HN 0.769 nan 8.290 nan 0.000 0.533 47 V N 2.393 122.307 119.914 -0.002 0.000 2.390 47 V HA 0.174 4.294 4.120 0.000 0.000 0.260 47 V C 1.908 178.005 176.094 0.005 0.000 1.043 47 V CA -0.005 62.296 62.300 0.002 0.000 1.047 47 V CB 0.774 32.597 31.823 -0.000 0.000 1.066 47 V HN 0.324 nan 8.190 nan 0.000 0.481 48 R N 2.232 122.735 120.500 0.005 0.000 2.073 48 R HA 0.051 4.391 4.340 0.000 0.000 0.229 48 R C 1.005 177.308 176.300 0.004 0.000 1.120 48 R CA 0.780 56.882 56.100 0.004 0.000 0.967 48 R CB -0.200 30.101 30.300 0.002 0.000 0.862 48 R HN 0.634 nan 8.270 nan 0.000 0.436 49 T N -0.115 114.449 114.554 0.016 0.000 2.883 49 T HA 0.626 4.976 4.350 0.000 0.000 0.301 49 T C -1.425 173.295 174.700 0.034 0.000 1.158 49 T CA -0.687 61.413 62.100 -0.000 0.000 1.007 49 T CB 1.726 70.584 68.868 -0.017 0.000 1.186 49 T HN 0.036 nan 8.240 nan 0.000 0.499 50 R N 1.172 121.656 120.500 -0.026 0.000 2.698 50 R HA 0.480 4.820 4.340 0.000 0.000 0.275 50 R C -1.570 174.683 176.300 -0.079 0.000 1.001 50 R CA -0.895 55.231 56.100 0.044 0.000 0.896 50 R CB 1.626 31.960 30.300 0.057 0.000 1.218 50 R HN 0.638 nan 8.270 nan 0.000 0.462 51 H N 2.052 121.166 119.070 0.073 0.000 2.481 51 H HA 0.433 4.990 4.556 0.000 0.000 0.333 51 H C -0.146 175.216 175.328 0.056 0.000 1.066 51 H CA -0.585 55.489 56.048 0.043 0.000 1.209 51 H CB 1.170 30.915 29.762 -0.027 0.000 1.445 51 H HN 0.418 nan 8.280 nan 0.000 0.488 52 I N 0.045 120.712 120.570 0.161 0.000 2.797 52 I HA 0.352 4.522 4.170 0.000 0.000 0.307 52 I C 0.908 177.097 176.117 0.120 0.000 1.033 52 I CA -1.179 60.190 61.300 0.115 0.000 1.071 52 I CB 2.049 40.078 38.000 0.048 0.000 1.255 52 I HN 0.464 nan 8.210 nan 0.000 0.445 53 V N 0.314 120.235 119.914 0.011 0.000 2.788 53 V HA 0.126 4.246 4.120 0.000 0.000 0.251 53 V C 0.809 176.873 176.094 -0.049 0.000 1.068 53 V CA 0.696 62.959 62.300 -0.062 0.000 1.090 53 V CB -1.100 30.485 31.823 -0.396 0.000 0.710 53 V HN 0.870 nan 8.190 nan 0.000 0.467 54 Q N 0.567 120.262 119.800 -0.176 0.000 2.297 54 Q HA 0.505 4.845 4.340 0.000 0.000 0.268 54 Q C -2.759 172.846 176.000 -0.658 0.000 1.045 54 Q CA -2.464 53.129 55.803 -0.350 0.000 0.861 54 Q CB 1.518 30.131 28.738 -0.209 0.000 1.344 54 Q HN 0.172 nan 8.270 nan 0.000 0.452 55 P HA -0.067 nan 4.420 nan 0.000 0.268 55 P C 0.435 177.567 177.300 -0.280 0.000 1.208 55 P CA -0.069 62.642 63.100 -0.647 0.000 0.777 55 P CB 0.489 31.985 31.700 -0.339 0.000 0.875 56 I N 2.308 122.786 120.570 -0.153 0.000 2.248 56 I HA -0.294 3.876 4.170 0.000 0.000 0.248 56 I C 1.485 177.547 176.117 -0.091 0.000 1.107 56 I CA 1.962 63.199 61.300 -0.105 0.000 1.373 56 I CB -0.687 37.273 38.000 -0.067 0.000 1.055 56 I HN 0.318 nan 8.210 nan 0.000 0.418 57 E N 0.523 120.678 120.200 -0.075 0.000 2.110 57 E HA -0.194 4.156 4.350 0.000 0.000 0.193 57 E C 1.867 178.441 176.600 -0.045 0.000 0.988 57 E CA 1.598 57.969 56.400 -0.048 0.000 0.804 57 E CB -0.434 29.245 29.700 -0.036 0.000 0.745 57 E HN 0.569 nan 8.360 nan 0.000 0.458 58 D N -0.305 120.051 120.400 -0.074 0.000 2.183 58 D HA -0.032 4.608 4.640 0.000 0.000 0.205 58 D C 1.725 177.999 176.300 -0.044 0.000 0.962 58 D CA 1.116 55.080 54.000 -0.060 0.000 0.849 58 D CB -0.293 40.453 40.800 -0.091 0.000 0.978 58 D HN 0.126 nan 8.370 nan 0.000 0.488 59 T N 1.622 116.133 114.554 -0.072 0.000 2.720 59 T HA -0.100 4.250 4.350 0.000 0.000 0.268 59 T C 2.197 176.909 174.700 0.020 0.000 1.037 59 T CA 0.676 62.746 62.100 -0.050 0.000 1.144 59 T CB -0.221 68.588 68.868 -0.098 0.000 0.864 59 T HN 0.109 nan 8.240 nan 0.000 0.444 60 L N 0.723 121.944 121.223 -0.004 0.000 2.201 60 L HA 0.030 4.370 4.340 0.000 0.000 0.212 60 L C 1.305 178.317 176.870 0.236 0.000 1.105 60 L CA 0.663 55.562 54.840 0.099 0.000 0.775 60 L CB -0.396 41.673 42.059 0.016 0.000 0.913 60 L HN 0.460 nan 8.230 nan 0.000 0.440 61 E N -0.814 119.463 120.200 0.128 0.000 2.319 61 E HA 0.143 4.493 4.350 0.000 0.000 0.268 61 E C -0.709 175.973 176.600 0.136 0.000 1.050 61 E CA -0.574 55.901 56.400 0.124 0.000 0.878 61 E CB 0.898 30.641 29.700 0.072 0.000 1.066 61 E HN 0.156 nan 8.360 nan 0.000 0.406 62 H N 2.265 121.357 119.070 0.036 0.000 2.725 62 H HA 0.179 4.735 4.556 0.000 0.000 0.283 62 H C -1.668 173.665 175.328 0.008 0.000 1.110 62 H CA -2.161 53.892 56.048 0.010 0.000 1.289 62 H CB 0.983 30.720 29.762 -0.041 0.000 1.400 62 H HN 0.431 nan 8.280 nan 0.000 0.493 63 P HA 0.187 nan 4.420 nan 0.000 0.249 63 P C 0.129 177.537 177.300 0.180 0.000 1.241 63 P CA 0.646 63.832 63.100 0.144 0.000 0.781 63 P CB 0.450 32.195 31.700 0.075 0.000 1.088 64 G N 0.182 109.221 108.800 0.398 0.000 2.587 64 G HA2 -0.215 3.745 3.960 0.000 0.000 0.686 64 G HA3 -0.215 3.745 3.960 0.000 0.000 0.686 64 G C -0.139 174.972 174.900 0.353 0.000 1.236 64 G CA -0.413 44.856 45.100 0.281 0.000 0.820 64 G HN 0.121 nan 8.290 nan 0.000 0.645 65 F N 0.247 120.276 119.950 0.132 0.000 2.095 65 F HA -0.087 4.440 4.527 0.000 0.000 0.298 65 F C 2.507 178.294 175.800 -0.021 0.000 1.104 65 F CA 2.199 60.210 58.000 0.019 0.000 1.232 65 F CB 0.122 39.090 39.000 -0.053 0.000 0.987 65 F HN 0.838 nan 8.300 nan 0.000 0.475 66 E N 0.473 120.654 120.200 -0.030 0.000 2.033 66 E HA -0.304 4.047 4.350 0.000 0.000 0.199 66 E C 1.781 178.333 176.600 -0.081 0.000 1.011 66 E CA 2.065 58.378 56.400 -0.145 0.000 0.815 66 E CB -0.189 29.468 29.700 -0.070 0.000 0.755 66 E HN 0.402 nan 8.360 nan 0.000 0.451 67 D N -0.253 120.144 120.400 -0.005 0.000 2.097 67 D HA -0.159 4.481 4.640 0.000 0.000 0.195 67 D C 2.117 178.423 176.300 0.010 0.000 0.989 67 D CA 0.920 54.922 54.000 0.003 0.000 0.827 67 D CB -0.332 40.483 40.800 0.025 0.000 0.966 67 D HN 0.021 nan 8.370 nan 0.000 0.456 68 R N 0.632 121.156 120.500 0.040 0.000 2.096 68 R HA -0.131 4.210 4.340 0.000 0.000 0.240 68 R C 1.846 178.183 176.300 0.063 0.000 1.139 68 R CA 1.378 57.503 56.100 0.042 0.000 0.952 68 R CB -0.563 29.771 30.300 0.056 0.000 0.854 68 R HN 0.086 nan 8.270 nan 0.000 0.436 69 N N -0.156 118.545 118.700 0.003 0.000 2.244 69 N HA -0.100 4.640 4.740 0.000 0.000 0.183 69 N C 1.048 176.589 175.510 0.052 0.000 1.016 69 N CA 1.007 54.050 53.050 -0.012 0.000 0.866 69 N CB 0.166 38.482 38.487 -0.284 0.000 0.980 69 N HN 0.074 nan 8.380 nan 0.000 0.430 70 K N 0.024 120.422 120.400 -0.005 0.000 2.057 70 K HA -0.022 4.298 4.320 0.000 0.000 0.207 70 K C 1.884 178.487 176.600 0.005 0.000 1.049 70 K CA 0.772 57.053 56.287 -0.010 0.000 0.931 70 K CB -0.728 31.755 32.500 -0.029 0.000 0.714 70 K HN 0.100 nan 8.250 nan 0.000 0.440 71 V N 1.002 120.923 119.914 0.013 0.000 2.407 71 V HA -0.262 3.859 4.120 0.000 0.000 0.248 71 V C 2.254 178.347 176.094 -0.001 0.000 1.055 71 V CA 1.677 63.966 62.300 -0.018 0.000 1.049 71 V CB -0.727 31.080 31.823 -0.027 0.000 0.662 71 V HN 0.225 nan 8.190 nan 0.000 0.455 72 Y N 1.221 121.525 120.300 0.006 0.000 2.145 72 Y HA -0.275 4.275 4.550 0.000 0.000 0.286 72 Y C 2.679 178.650 175.900 0.117 0.000 1.145 72 Y CA 2.374 60.559 58.100 0.141 0.000 1.148 72 Y CB -0.152 38.422 38.460 0.190 0.000 0.981 72 Y HN 0.354 nan 8.280 nan 0.000 0.507 73 E N 0.178 120.407 120.200 0.049 0.000 2.051 73 E HA -0.283 4.067 4.350 0.000 0.000 0.192 73 E C 2.547 179.010 176.600 -0.229 0.000 0.991 73 E CA 1.311 57.639 56.400 -0.119 0.000 0.799 73 E CB -0.331 29.331 29.700 -0.063 0.000 0.748 73 E HN 0.460 nan 8.360 nan 0.000 0.449 74 R N 0.284 120.683 120.500 -0.168 0.000 2.073 74 R HA -0.167 4.173 4.340 0.000 0.000 0.234 74 R C 2.082 178.269 176.300 -0.189 0.000 1.134 74 R CA 1.658 57.653 56.100 -0.175 0.000 0.952 74 R CB -0.085 30.142 30.300 -0.121 0.000 0.850 74 R HN 0.161 nan 8.270 nan 0.000 0.433 75 E N 0.329 120.398 120.200 -0.219 0.000 2.110 75 E HA -0.151 4.199 4.350 0.000 0.000 0.193 75 E C 1.832 178.355 176.600 -0.128 0.000 0.988 75 E CA 1.313 57.544 56.400 -0.282 0.000 0.804 75 E CB -0.228 29.082 29.700 -0.649 0.000 0.745 75 E HN 0.478 nan 8.360 nan 0.000 0.458 76 A N 1.317 124.099 122.820 -0.062 0.000 1.930 76 A HA -0.158 4.162 4.320 0.000 0.000 0.217 76 A C 2.072 179.591 177.584 -0.109 0.000 1.175 76 A CA 1.347 53.389 52.037 0.010 0.000 0.627 76 A CB -0.230 18.640 19.000 -0.217 0.000 0.815 76 A HN 0.099 nan 8.150 nan 0.000 0.443 77 K N 0.369 120.584 120.400 -0.308 0.000 2.097 77 K HA -0.079 4.241 4.320 0.000 0.000 0.205 77 K C 1.976 178.541 176.600 -0.058 0.000 1.050 77 K CA 1.526 57.520 56.287 -0.489 0.000 0.938 77 K CB -0.119 31.876 32.500 -0.841 0.000 0.718 77 K HN 0.620 nan 8.250 nan 0.000 0.442 78 S N 0.317 115.990 115.700 -0.044 0.000 2.593 78 S HA 0.099 4.569 4.470 0.000 0.000 0.217 78 S C 1.376 176.005 174.600 0.048 0.000 0.966 78 S CA -0.060 58.158 58.200 0.030 0.000 0.914 78 S CB 0.107 63.304 63.200 -0.006 0.000 0.776 78 S HN 0.238 nan 8.310 nan 0.000 0.523 79 R N -0.303 120.235 120.500 0.063 0.000 2.470 79 R HA 0.322 4.662 4.340 0.000 0.000 0.210 79 R C 1.567 177.931 176.300 0.106 0.000 0.873 79 R CA 0.367 56.514 56.100 0.078 0.000 1.015 79 R CB -0.272 30.079 30.300 0.085 0.000 1.348 79 R HN 0.227 nan 8.270 nan 0.000 0.650 80 V N 2.583 122.579 119.914 0.137 0.000 2.270 80 V HA -0.120 4.000 4.120 0.000 0.000 0.245 80 V C -0.886 175.307 176.094 0.166 0.000 1.043 80 V CA 1.877 64.269 62.300 0.154 0.000 1.014 80 V CB -0.979 30.965 31.823 0.202 0.000 0.645 80 V HN 0.102 nan 8.190 nan 0.000 0.447 81 P HA -0.261 nan 4.420 nan 0.000 0.215 81 P C 1.742 179.106 177.300 0.107 0.000 1.163 81 P CA 2.446 65.653 63.100 0.179 0.000 0.894 81 P CB -0.238 31.584 31.700 0.205 0.000 0.791 82 A N -0.871 122.002 122.820 0.089 0.000 1.917 82 A HA -0.216 4.104 4.320 0.000 0.000 0.219 82 A C 2.312 179.922 177.584 0.042 0.000 1.182 82 A CA 2.385 54.454 52.037 0.053 0.000 0.633 82 A CB -1.817 17.209 19.000 0.044 0.000 0.819 82 A HN 0.087 nan 8.150 nan 0.000 0.448 83 V N -0.228 119.715 119.914 0.049 0.000 2.548 83 V HA -0.196 3.924 4.120 0.000 0.000 0.249 83 V C 2.341 178.457 176.094 0.037 0.000 1.055 83 V CA 1.692 64.011 62.300 0.031 0.000 1.065 83 V CB -0.648 31.190 31.823 0.024 0.000 0.681 83 V HN 0.557 nan 8.190 nan 0.000 0.462 84 I N -0.583 120.028 120.570 0.068 0.000 2.315 84 I HA -0.194 3.977 4.170 0.000 0.000 0.248 84 I C 2.778 178.927 176.117 0.054 0.000 1.117 84 I CA 1.023 62.373 61.300 0.083 0.000 1.404 84 I CB -0.316 37.774 38.000 0.150 0.000 1.071 84 I HN 0.305 nan 8.210 nan 0.000 0.419 85 Q N 0.902 120.726 119.800 0.040 0.000 2.014 85 Q HA -0.260 4.080 4.340 0.000 0.000 0.207 85 Q C 2.355 178.357 176.000 0.003 0.000 0.993 85 Q CA 1.949 57.758 55.803 0.010 0.000 0.850 85 Q CB -0.444 28.298 28.738 0.007 0.000 0.916 85 Q HN 0.477 nan 8.270 nan 0.000 0.417 86 R N -0.004 120.500 120.500 0.006 0.000 2.127 86 R HA -0.129 4.211 4.340 0.000 0.000 0.238 86 R C 2.222 178.520 176.300 -0.004 0.000 1.134 86 R CA 1.262 57.362 56.100 0.000 0.000 0.975 86 R CB -0.367 29.933 30.300 -0.000 0.000 0.865 86 R HN 0.270 nan 8.270 nan 0.000 0.447 87 A N 0.812 123.631 122.820 -0.001 0.000 1.897 87 A HA -0.066 4.254 4.320 0.000 0.000 0.215 87 A C 2.105 179.689 177.584 0.001 0.000 1.181 87 A CA 0.921 52.954 52.037 -0.007 0.000 0.620 87 A CB -0.362 18.638 19.000 0.001 0.000 0.821 87 A HN 0.168 nan 8.150 nan 0.000 0.443 88 L N -0.441 120.785 121.223 0.006 0.000 2.056 88 L HA -0.176 4.164 4.340 0.000 0.000 0.207 88 L C 2.006 178.869 176.870 -0.012 0.000 1.078 88 L CA 1.382 56.219 54.840 -0.005 0.000 0.749 88 L CB -0.672 41.368 42.059 -0.031 0.000 0.901 88 L HN 0.295 nan 8.230 nan 0.000 0.433 89 D N 0.058 120.452 120.400 -0.011 0.000 2.117 89 D HA -0.167 4.473 4.640 0.000 0.000 0.198 89 D C 1.764 178.065 176.300 0.002 0.000 0.982 89 D CA 1.219 55.215 54.000 -0.008 0.000 0.828 89 D CB -0.225 40.571 40.800 -0.006 0.000 0.967 89 D HN 0.260 nan 8.370 nan 0.000 0.464 90 D N 0.301 120.704 120.400 0.004 0.000 2.097 90 D HA -0.058 4.583 4.640 0.000 0.000 0.195 90 D C 1.883 178.196 176.300 0.022 0.000 0.989 90 D CA 1.464 55.474 54.000 0.016 0.000 0.827 90 D CB -0.241 40.563 40.800 0.007 0.000 0.966 90 D HN 0.144 nan 8.370 nan 0.000 0.456 91 A N 0.130 122.957 122.820 0.012 0.000 2.168 91 A HA -0.076 4.244 4.320 0.000 0.000 0.215 91 A C 0.071 177.661 177.584 0.011 0.000 1.152 91 A CA 0.554 52.600 52.037 0.015 0.000 0.716 91 A CB -0.268 18.738 19.000 0.011 0.000 0.794 91 A HN 0.259 nan 8.150 nan 0.000 0.465 92 E N -1.282 118.922 120.200 0.006 0.000 2.807 92 E HA -0.138 4.212 4.350 0.000 0.000 0.169 92 E C -0.636 175.959 176.600 -0.007 0.000 1.548 92 E CA 0.833 57.233 56.400 0.000 0.000 0.697 92 E CB -2.173 27.530 29.700 0.005 0.000 1.106 92 E HN 0.875 nan 8.360 nan 0.000 0.382 93 L N -0.257 120.956 121.223 -0.018 0.000 3.041 93 L HA 0.716 5.056 4.340 0.000 0.000 0.278 93 L C -1.738 175.097 176.870 -0.057 0.000 1.051 93 L CA -1.183 53.640 54.840 -0.030 0.000 0.957 93 L CB 1.452 43.500 42.059 -0.019 0.000 1.538 93 L HN 0.279 nan 8.230 nan 0.000 0.393 94 L N -0.103 121.071 121.223 -0.081 0.000 2.322 94 L HA 0.841 5.181 4.340 0.000 0.000 0.269 94 L C 1.064 177.804 176.870 -0.216 0.000 1.012 94 L CA -0.177 54.583 54.840 -0.133 0.000 0.815 94 L CB 1.954 43.944 42.059 -0.116 0.000 1.295 94 L HN 0.868 nan 8.230 nan 0.000 0.438 95 A N 0.950 123.538 122.820 -0.387 0.000 2.148 95 A HA -0.142 4.178 4.320 0.000 0.000 0.222 95 A C 1.587 178.870 177.584 -0.502 0.000 1.161 95 A CA 2.318 53.877 52.037 -0.797 0.000 0.662 95 A CB -1.241 16.973 19.000 -1.311 0.000 0.799 95 A HN 0.943 nan 8.150 nan 0.000 0.466 96 T N -0.898 113.515 114.554 -0.236 0.000 3.129 96 T HA 0.048 4.398 4.350 0.000 0.000 0.251 96 T C 0.627 175.317 174.700 -0.017 0.000 1.117 96 T CA 0.845 62.891 62.100 -0.090 0.000 1.034 96 T CB -0.050 68.776 68.868 -0.071 0.000 0.968 96 T HN 0.387 nan 8.240 nan 0.000 0.526 97 D N 0.647 121.037 120.400 -0.016 0.000 2.339 97 D HA 0.145 4.785 4.640 0.000 0.000 0.217 97 D C 0.150 176.491 176.300 0.068 0.000 1.050 97 D CA -0.036 53.978 54.000 0.024 0.000 0.856 97 D CB 0.131 40.938 40.800 0.013 0.000 0.922 97 D HN 0.275 nan 8.370 nan 0.000 0.518 98 I N 1.607 122.241 120.570 0.107 0.000 2.396 98 I HA 0.039 4.209 4.170 0.000 0.000 0.289 98 I C 0.696 176.906 176.117 0.156 0.000 1.056 98 I CA 0.063 61.475 61.300 0.186 0.000 1.365 98 I CB 1.112 39.371 38.000 0.432 0.000 1.407 98 I HN -0.177 nan 8.210 nan 0.000 0.509 99 D N 4.745 125.211 120.400 0.110 0.000 2.360 99 D HA 0.128 4.768 4.640 0.000 0.000 0.210 99 D C 0.427 176.674 176.300 -0.089 0.000 1.047 99 D CA 0.595 54.644 54.000 0.082 0.000 0.854 99 D CB 1.231 42.169 40.800 0.230 0.000 0.936 99 D HN 0.293 nan 8.370 nan 0.000 0.514 100 V N 0.225 120.034 119.914 -0.174 0.000 3.177 100 V HA 0.360 4.480 4.120 0.000 0.000 0.287 100 V C -1.992 173.949 176.094 -0.256 0.000 1.465 100 V CA -0.831 61.260 62.300 -0.348 0.000 1.020 100 V CB 2.523 33.865 31.823 -0.801 0.000 1.152 100 V HN -0.146 nan 8.190 nan 0.000 0.448 101 I N 5.841 126.255 120.570 -0.261 0.000 2.447 101 I HA 0.517 4.687 4.170 0.000 0.000 0.287 101 I C -0.701 175.339 176.117 -0.128 0.000 1.023 101 I CA -0.447 60.732 61.300 -0.200 0.000 1.083 101 I CB 1.884 39.714 38.000 -0.283 0.000 1.245 101 I HN 0.431 nan 8.210 nan 0.000 0.434 102 I N 6.691 127.215 120.570 -0.076 0.000 2.337 102 I HA 0.214 4.384 4.170 0.000 0.000 0.285 102 I C -0.965 175.167 176.117 0.026 0.000 1.041 102 I CA -0.611 60.668 61.300 -0.035 0.000 1.199 102 I CB 0.678 38.649 38.000 -0.049 0.000 1.370 102 I HN 0.478 nan 8.210 nan 0.000 0.470 103 Y N 7.732 127.990 120.300 -0.072 0.000 2.385 103 Y HA 0.504 5.054 4.550 0.000 0.000 0.341 103 Y C -0.173 175.709 175.900 -0.029 0.000 0.965 103 Y CA -0.767 57.303 58.100 -0.051 0.000 1.180 103 Y CB 1.121 39.549 38.460 -0.053 0.000 1.139 103 Y HN 0.339 nan 8.280 nan 0.000 0.502 104 V N 2.823 122.546 119.914 -0.318 0.000 2.459 104 V HA 0.887 5.007 4.120 0.000 0.000 0.295 104 V C -0.551 175.375 176.094 -0.280 0.000 1.029 104 V CA -0.498 61.688 62.300 -0.191 0.000 0.874 104 V CB 1.316 33.069 31.823 -0.117 0.000 0.985 104 V HN 0.715 nan 8.190 nan 0.000 0.438 105 S N 2.823 118.475 115.700 -0.081 0.000 2.583 105 S HA 0.409 4.879 4.470 0.000 0.000 0.294 105 S C -0.140 174.506 174.600 0.077 0.000 1.121 105 S CA 0.012 58.205 58.200 -0.012 0.000 0.910 105 S CB 1.158 64.415 63.200 0.096 0.000 1.102 105 S HN 2.113 nan 8.310 nan 0.000 0.451 106 C N 1.927 121.279 119.300 0.086 0.000 3.525 106 C HA 0.481 4.941 4.460 0.000 0.000 0.289 106 C C 1.479 176.646 174.990 0.295 0.000 1.496 106 C CA 0.575 59.683 59.018 0.150 0.000 1.804 106 C CB -1.199 26.563 27.740 0.037 0.000 2.708 106 C HN 0.936 nan 8.230 nan 0.000 0.642 107 T N -1.863 112.818 114.554 0.213 0.000 3.251 107 T HA 0.556 4.906 4.350 0.000 0.000 0.259 107 T C 0.551 175.293 174.700 0.069 0.000 0.998 107 T CA 0.631 62.881 62.100 0.250 0.000 0.905 107 T CB 0.006 69.011 68.868 0.228 0.000 1.067 107 T HN 1.292 nan 8.240 nan 0.000 0.569 108 G N 0.338 109.081 108.800 -0.096 0.000 2.387 108 G HA2 0.477 4.437 3.960 0.000 0.000 0.294 108 G HA3 0.477 4.437 3.960 0.000 0.000 0.294 108 G C -2.358 172.431 174.900 -0.185 0.000 1.509 108 G CA -0.960 43.813 45.100 -0.545 0.000 0.806 108 G HN 0.221 nan 8.290 nan 0.000 0.546 109 F N 1.541 121.370 119.950 -0.203 0.000 2.557 109 F HA 0.824 5.351 4.527 -0.000 0.000 0.316 109 F C -0.235 175.552 175.800 -0.022 0.000 1.141 109 F CA -0.955 57.047 58.000 0.003 0.000 0.922 109 F CB 1.918 41.052 39.000 0.223 0.000 1.194 109 F HN 0.640 nan 8.300 nan 0.000 0.443 110 M N 7.109 126.322 119.600 -0.645 0.000 2.470 110 M HA 0.559 5.039 4.480 0.000 0.000 0.285 110 M C -1.771 174.216 176.300 -0.522 0.000 1.213 110 M CA -0.872 54.204 55.300 -0.374 0.000 0.901 110 M CB 2.772 35.302 32.600 -0.117 0.000 1.718 110 M HN 0.698 nan 8.290 nan 0.000 0.469 111 M N 3.895 123.351 119.600 -0.239 0.000 2.183 111 M HA 0.551 5.031 4.480 0.000 0.000 0.277 111 M C -2.526 173.738 176.300 -0.060 0.000 0.995 111 M CA -1.172 54.038 55.300 -0.150 0.000 0.969 111 M CB 2.172 34.757 32.600 -0.025 0.000 1.659 111 M HN 0.786 nan 8.290 nan 0.000 0.462 112 P HA 0.274 nan 4.420 nan 0.000 0.272 112 P C -0.506 176.708 177.300 -0.144 0.000 1.240 112 P CA -0.256 62.791 63.100 -0.087 0.000 0.791 112 P CB 0.606 32.273 31.700 -0.054 0.000 0.978 113 S N 0.094 115.688 115.700 -0.176 0.000 2.626 113 S HA 0.023 4.493 4.470 0.000 0.000 0.257 113 S C 1.199 175.637 174.600 -0.269 0.000 1.288 113 S CA -0.634 57.422 58.200 -0.239 0.000 0.980 113 S CB 0.065 63.124 63.200 -0.234 0.000 0.975 113 S HN 0.418 nan 8.310 nan 0.000 0.577 114 L N 1.290 122.241 121.223 -0.452 0.000 2.353 114 L HA -0.024 4.316 4.340 0.000 0.000 0.220 114 L C 2.708 179.418 176.870 -0.266 0.000 1.133 114 L CA 2.100 56.712 54.840 -0.379 0.000 0.798 114 L CB -1.244 40.499 42.059 -0.526 0.000 0.922 114 L HN 1.089 nan 8.230 nan 0.000 0.445 115 T N -3.696 110.624 114.554 -0.390 0.000 2.759 115 T HA -0.221 4.129 4.350 0.000 0.000 0.269 115 T C 1.932 176.545 174.700 -0.146 0.000 1.042 115 T CA 1.113 63.064 62.100 -0.248 0.000 1.140 115 T CB -0.749 67.985 68.868 -0.222 0.000 0.864 115 T HN 0.341 nan 8.240 nan 0.000 0.455 116 A N 0.774 123.539 122.820 -0.093 0.000 1.858 116 A HA -0.028 4.292 4.320 0.000 0.000 0.216 116 A C 2.085 179.685 177.584 0.026 0.000 1.190 116 A CA 1.630 53.644 52.037 -0.039 0.000 0.617 116 A CB -1.562 17.427 19.000 -0.018 0.000 0.827 116 A HN 0.788 nan 8.150 nan 0.000 0.443 117 W N 0.656 121.886 121.300 -0.118 0.000 2.363 117 W HA -0.147 4.513 4.660 -0.000 0.000 0.296 117 W C 1.751 178.238 176.519 -0.054 0.000 1.212 117 W CA 1.852 59.150 57.345 -0.078 0.000 1.260 117 W CB -0.259 29.151 29.460 -0.083 0.000 1.131 117 W HN 0.272 nan 8.180 nan 0.000 0.530 118 L N 0.149 121.422 121.223 0.084 0.000 1.955 118 L HA -0.319 4.021 4.340 0.000 0.000 0.213 118 L C 2.478 179.285 176.870 -0.105 0.000 1.072 118 L CA 1.379 56.178 54.840 -0.068 0.000 0.755 118 L CB -1.360 40.689 42.059 -0.017 0.000 0.888 118 L HN -0.065 nan 8.230 nan 0.000 0.432 119 I N 0.392 120.890 120.570 -0.120 0.000 2.191 119 I HA -0.386 3.784 4.170 0.000 0.000 0.248 119 I C 2.032 178.154 176.117 0.008 0.000 1.061 119 I CA 1.952 63.234 61.300 -0.029 0.000 1.329 119 I CB -1.554 36.395 38.000 -0.086 0.000 1.024 119 I HN 0.434 nan 8.210 nan 0.000 0.423 120 N N 0.446 119.074 118.700 -0.121 0.000 2.131 120 N HA -0.113 4.627 4.740 0.000 0.000 0.190 120 N C 1.701 177.071 175.510 -0.233 0.000 1.055 120 N CA 1.042 53.995 53.050 -0.162 0.000 0.853 120 N CB -0.289 38.082 38.487 -0.193 0.000 1.035 120 N HN 0.240 nan 8.380 nan 0.000 0.440 121 E N 0.539 120.459 120.200 -0.466 0.000 2.085 121 E HA -0.188 4.162 4.350 0.000 0.000 0.194 121 E C 1.704 178.121 176.600 -0.305 0.000 0.994 121 E CA 0.917 57.026 56.400 -0.485 0.000 0.801 121 E CB -0.423 28.716 29.700 -0.936 0.000 0.743 121 E HN 0.325 nan 8.360 nan 0.000 0.453 122 M N -0.277 119.182 119.600 -0.235 0.000 2.632 122 M HA 0.057 4.537 4.480 0.000 0.000 0.256 122 M C 0.916 177.150 176.300 -0.108 0.000 1.080 122 M CA 1.080 56.338 55.300 -0.069 0.000 1.084 122 M CB -0.218 32.532 32.600 0.249 0.000 1.439 122 M HN 0.273 nan 8.290 nan 0.000 0.509 123 G N -0.457 108.289 108.800 -0.091 0.000 2.168 123 G HA2 -0.305 3.655 3.960 0.000 0.000 0.257 123 G HA3 -0.305 3.655 3.960 0.000 0.000 0.257 123 G C 0.197 175.045 174.900 -0.086 0.000 0.997 123 G CA 0.035 45.077 45.100 -0.097 0.000 0.708 123 G HN 0.434 nan 8.290 nan 0.000 0.520 124 F N 1.565 121.459 119.950 -0.093 0.000 2.535 124 F HA 0.311 4.838 4.527 0.000 0.000 0.332 124 F C 1.152 176.916 175.800 -0.059 0.000 1.208 124 F CA 0.535 58.493 58.000 -0.070 0.000 1.330 124 F CB 0.426 39.383 39.000 -0.072 0.000 1.167 124 F HN 0.237 nan 8.300 nan 0.000 0.597 125 D N 0.243 120.771 120.400 0.214 0.000 2.371 125 D HA 0.031 4.671 4.640 0.000 0.000 0.256 125 D C 0.919 177.267 176.300 0.081 0.000 1.193 125 D CA 0.054 54.118 54.000 0.106 0.000 0.881 125 D CB 0.837 41.695 40.800 0.096 0.000 1.143 125 D HN 0.424 nan 8.370 nan 0.000 0.473 126 S N 2.027 117.751 115.700 0.041 0.000 2.481 126 S HA -0.220 4.250 4.470 0.000 0.000 0.253 126 S C 1.419 176.025 174.600 0.010 0.000 0.998 126 S CA 1.693 59.904 58.200 0.018 0.000 0.972 126 S CB -0.410 62.794 63.200 0.008 0.000 0.751 126 S HN 0.692 nan 8.310 nan 0.000 0.515 127 T N -1.989 112.575 114.554 0.017 0.000 3.129 127 T HA 0.250 4.600 4.350 0.000 0.000 0.267 127 T C 0.296 174.992 174.700 -0.006 0.000 1.018 127 T CA -0.254 61.849 62.100 0.006 0.000 0.903 127 T CB -0.034 68.842 68.868 0.013 0.000 1.067 127 T HN 0.153 nan 8.240 nan 0.000 0.549 128 T N 4.588 119.139 114.554 -0.005 0.000 2.829 128 T HA 0.187 4.537 4.350 0.000 0.000 0.293 128 T C 0.527 175.165 174.700 -0.105 0.000 0.970 128 T CA -0.421 61.653 62.100 -0.044 0.000 1.168 128 T CB 0.327 69.163 68.868 -0.053 0.000 0.911 128 T HN 0.291 nan 8.240 nan 0.000 0.535 129 R N 3.308 123.725 120.500 -0.138 0.000 2.643 129 R HA 0.156 4.497 4.340 0.000 0.000 0.270 129 R C 0.481 176.665 176.300 -0.195 0.000 1.061 129 R CA -0.153 55.848 56.100 -0.164 0.000 1.107 129 R CB 0.231 30.390 30.300 -0.235 0.000 0.999 129 R HN 0.750 nan 8.270 nan 0.000 0.460 130 Q N 1.560 121.269 119.800 -0.152 0.000 2.303 130 Q HA 0.505 4.845 4.340 0.000 0.000 0.267 130 Q C -0.710 175.230 176.000 -0.100 0.000 1.011 130 Q CA -0.406 55.312 55.803 -0.141 0.000 0.740 130 Q CB 1.399 30.059 28.738 -0.130 0.000 1.250 130 Q HN 0.502 nan 8.270 nan 0.000 0.458 131 I N 4.519 125.034 120.570 -0.092 0.000 2.412 131 I HA 0.339 4.509 4.170 0.000 0.000 0.279 131 I C -2.312 173.806 176.117 0.002 0.000 1.063 131 I CA -2.058 59.212 61.300 -0.049 0.000 1.193 131 I CB 1.307 39.268 38.000 -0.064 0.000 1.370 131 I HN 0.403 nan 8.210 nan 0.000 0.479 132 P HA 0.471 nan 4.420 nan 0.000 0.301 132 P C -0.761 176.579 177.300 0.067 0.000 1.338 132 P CA -0.339 62.806 63.100 0.075 0.000 0.834 132 P CB 1.852 33.574 31.700 0.036 0.000 0.967 133 I N 2.884 123.502 120.570 0.079 0.000 2.439 133 I HA 0.402 4.572 4.170 0.000 0.000 0.285 133 I C 0.868 177.029 176.117 0.073 0.000 1.021 133 I CA -0.652 60.686 61.300 0.063 0.000 1.091 133 I CB 2.140 40.162 38.000 0.038 0.000 1.242 133 I HN 0.307 nan 8.210 nan 0.000 0.439 134 A N 4.231 127.108 122.820 0.096 0.000 2.382 134 A HA 0.191 4.511 4.320 0.000 0.000 0.228 134 A C 1.180 178.812 177.584 0.079 0.000 1.217 134 A CA 0.163 52.269 52.037 0.115 0.000 0.923 134 A CB 0.171 19.292 19.000 0.202 0.000 0.979 134 A HN 0.764 nan 8.150 nan 0.000 0.515 135 Q N -0.602 119.230 119.800 0.054 0.000 2.201 135 Q HA 0.338 4.679 4.340 0.000 0.000 0.217 135 Q C 0.115 176.108 176.000 -0.011 0.000 0.860 135 Q CA -0.129 55.680 55.803 0.011 0.000 0.984 135 Q CB 0.437 29.188 28.738 0.021 0.000 1.095 135 Q HN 0.354 nan 8.270 nan 0.000 0.477 136 L N -0.971 120.250 121.223 -0.003 0.000 2.731 136 L HA 0.285 4.625 4.340 0.000 0.000 0.240 136 L C 1.190 178.063 176.870 0.005 0.000 1.120 136 L CA 0.759 55.601 54.840 0.003 0.000 0.913 136 L CB -0.006 42.063 42.059 0.018 0.000 1.213 136 L HN 0.328 nan 8.230 nan 0.000 0.515 137 G N -0.274 108.512 108.800 -0.023 0.000 2.634 137 G HA2 -0.420 3.540 3.960 0.000 0.000 0.309 137 G HA3 -0.420 3.540 3.960 0.000 0.000 0.309 137 G C 1.253 176.185 174.900 0.054 0.000 1.265 137 G CA 0.347 45.435 45.100 -0.021 0.000 0.998 137 G HN 0.227 nan 8.290 nan 0.000 0.551 138 C N 1.505 120.876 119.300 0.119 0.000 2.422 138 C HA 0.302 4.762 4.460 0.000 0.000 0.286 138 C C 3.197 178.302 174.990 0.191 0.000 1.412 138 C CA 1.662 60.816 59.018 0.227 0.000 1.786 138 C CB -1.652 26.257 27.740 0.281 0.000 1.835 138 C HN 1.090 nan 8.230 nan 0.000 0.533 139 A N -0.088 122.805 122.820 0.122 0.000 2.275 139 A HA 0.479 4.799 4.320 0.000 0.000 0.212 139 A C 2.163 179.792 177.584 0.076 0.000 1.201 139 A CA 0.980 53.083 52.037 0.110 0.000 0.843 139 A CB -0.324 18.745 19.000 0.115 0.000 0.873 139 A HN 0.482 nan 8.150 nan 0.000 0.492 140 A N -0.125 122.729 122.820 0.056 0.000 1.969 140 A HA 0.177 4.497 4.320 0.000 0.000 0.218 140 A C 2.258 179.850 177.584 0.014 0.000 1.169 140 A CA 1.608 53.660 52.037 0.025 0.000 0.635 140 A CB -1.042 17.960 19.000 0.004 0.000 0.810 140 A HN 0.625 nan 8.150 nan 0.000 0.445 141 G N -0.228 108.585 108.800 0.022 0.000 2.446 141 G HA2 -0.027 3.933 3.960 0.000 0.000 0.217 141 G HA3 -0.027 3.933 3.960 0.000 0.000 0.217 141 G C 1.527 176.434 174.900 0.013 0.000 1.168 141 G CA 1.276 46.378 45.100 0.003 0.000 0.771 141 G HN 0.667 nan 8.290 nan 0.000 0.551 142 G N 0.945 109.762 108.800 0.029 0.000 2.402 142 G HA2 0.094 4.054 3.960 0.000 0.000 0.216 142 G HA3 0.094 4.054 3.960 0.000 0.000 0.216 142 G C 2.068 176.987 174.900 0.032 0.000 1.162 142 G CA 1.446 46.563 45.100 0.027 0.000 0.777 142 G HN 0.654 nan 8.290 nan 0.000 0.539 143 A N 1.170 124.011 122.820 0.034 0.000 1.940 143 A HA 0.223 4.544 4.320 0.000 0.000 0.219 143 A C 2.779 180.379 177.584 0.027 0.000 1.176 143 A CA 2.261 54.316 52.037 0.031 0.000 0.631 143 A CB -0.684 18.333 19.000 0.029 0.000 0.814 143 A HN 0.745 nan 8.150 nan 0.000 0.446 144 A N -0.007 122.824 122.820 0.017 0.000 1.898 144 A HA -0.054 4.266 4.320 0.000 0.000 0.216 144 A C 2.112 179.715 177.584 0.031 0.000 1.181 144 A CA 1.441 53.485 52.037 0.011 0.000 0.620 144 A CB -0.574 18.417 19.000 -0.014 0.000 0.819 144 A HN 0.496 nan 8.150 nan 0.000 0.442 145 I N 0.229 120.821 120.570 0.038 0.000 2.179 145 I HA -0.282 3.888 4.170 0.000 0.000 0.242 145 I C 2.077 178.255 176.117 0.102 0.000 1.088 145 I CA 1.295 62.634 61.300 0.065 0.000 1.357 145 I CB -0.530 37.506 38.000 0.060 0.000 1.051 145 I HN 0.323 nan 8.210 nan 0.000 0.409 146 N N 0.808 119.551 118.700 0.072 0.000 2.166 146 N HA -0.141 4.599 4.740 0.000 0.000 0.186 146 N C 1.901 177.471 175.510 0.100 0.000 1.019 146 N CA 1.079 54.164 53.050 0.059 0.000 0.856 146 N CB -0.328 38.161 38.487 0.003 0.000 0.993 146 N HN 0.267 nan 8.380 nan 0.000 0.426 147 R N 0.999 121.550 120.500 0.084 0.000 2.115 147 R HA 0.121 4.461 4.340 0.000 0.000 0.230 147 R C 2.008 178.395 176.300 0.146 0.000 1.111 147 R CA 0.760 56.918 56.100 0.098 0.000 0.976 147 R CB -1.025 29.306 30.300 0.052 0.000 0.870 147 R HN 0.231 nan 8.270 nan 0.000 0.445 148 A N 1.000 123.899 122.820 0.131 0.000 1.930 148 A HA -0.177 4.143 4.320 0.000 0.000 0.217 148 A C 2.100 179.827 177.584 0.238 0.000 1.175 148 A CA 1.299 53.425 52.037 0.149 0.000 0.627 148 A CB -0.652 18.404 19.000 0.093 0.000 0.815 148 A HN 0.318 nan 8.150 nan 0.000 0.443 149 H N 0.899 120.033 119.070 0.108 0.000 2.274 149 H HA -0.166 4.390 4.556 0.000 0.000 0.296 149 H C 1.538 176.937 175.328 0.119 0.000 1.061 149 H CA 2.245 58.350 56.048 0.094 0.000 1.226 149 H CB -0.609 29.188 29.762 0.059 0.000 1.370 149 H HN 0.395 nan 8.280 nan 0.000 0.507 150 D N -0.110 120.538 120.400 0.413 0.000 2.218 150 D HA -0.210 4.430 4.640 0.000 0.000 0.194 150 D C 2.135 178.600 176.300 0.275 0.000 1.007 150 D CA 1.385 55.558 54.000 0.288 0.000 0.879 150 D CB -0.849 40.059 40.800 0.180 0.000 0.918 150 D HN 0.328 nan 8.370 nan 0.000 0.449 151 F N 0.734 120.774 119.950 0.151 0.000 2.113 151 F HA -0.162 4.365 4.527 0.000 0.000 0.297 151 F C 2.147 178.059 175.800 0.187 0.000 1.103 151 F CA 0.921 59.017 58.000 0.160 0.000 1.248 151 F CB -0.313 38.740 39.000 0.087 0.000 0.999 151 F HN -0.012 nan 8.300 nan 0.000 0.475 152 C N -0.000 119.405 119.300 0.176 0.000 2.422 152 C HA -0.115 4.345 4.460 0.000 0.000 0.286 152 C C 2.608 177.586 174.990 -0.020 0.000 1.412 152 C CA 1.534 60.578 59.018 0.044 0.000 1.786 152 C CB -1.620 26.145 27.740 0.042 0.000 1.835 152 C HN 0.554 nan 8.230 nan 0.000 0.533 153 T N 1.120 115.684 114.554 0.016 0.000 2.735 153 T HA -0.039 4.311 4.350 0.000 0.000 0.256 153 T C 2.274 176.930 174.700 -0.072 0.000 1.042 153 T CA 1.524 63.625 62.100 0.002 0.000 1.147 153 T CB -0.461 68.459 68.868 0.086 0.000 0.865 153 T HN 0.584 nan 8.240 nan 0.000 0.421 154 A N 0.688 123.456 122.820 -0.086 0.000 1.917 154 A HA -0.068 4.253 4.320 0.000 0.000 0.219 154 A C 0.320 177.583 177.584 -0.534 0.000 1.182 154 A CA 1.346 53.226 52.037 -0.263 0.000 0.633 154 A CB -0.617 18.300 19.000 -0.138 0.000 0.819 154 A HN 0.612 nan 8.150 nan 0.000 0.448 155 Y N -1.812 118.264 120.300 -0.373 0.000 2.646 155 Y HA 0.391 4.941 4.550 0.000 0.000 0.334 155 Y C -2.120 173.650 175.900 -0.217 0.000 1.004 155 Y CA -2.626 55.278 58.100 -0.326 0.000 1.301 155 Y CB 0.990 39.149 38.460 -0.501 0.000 1.093 155 Y HN 0.094 nan 8.280 nan 0.000 0.530 156 P HA -0.178 nan 4.420 nan 0.000 0.217 156 P C 0.704 178.008 177.300 0.006 0.000 1.148 156 P CA 1.607 64.692 63.100 -0.024 0.000 0.828 156 P CB 0.415 32.094 31.700 -0.036 0.000 0.783 157 E N -0.998 119.218 120.200 0.027 0.000 2.445 157 E HA 0.189 4.539 4.350 0.000 0.000 0.189 157 E C 0.372 177.011 176.600 0.064 0.000 1.069 157 E CA -0.448 55.976 56.400 0.040 0.000 0.871 157 E CB -0.056 29.669 29.700 0.042 0.000 0.991 157 E HN 0.171 nan 8.360 nan 0.000 0.481 158 A N 1.506 124.372 122.820 0.076 0.000 2.354 158 A HA 0.287 4.607 4.320 0.000 0.000 0.269 158 A C -0.141 177.540 177.584 0.161 0.000 1.109 158 A CA -0.491 51.632 52.037 0.143 0.000 0.800 158 A CB 0.443 19.523 19.000 0.134 0.000 1.045 158 A HN 0.067 nan 8.150 nan 0.000 0.489 159 N N 0.950 119.754 118.700 0.174 0.000 2.483 159 N HA 0.508 5.248 4.740 0.000 0.000 0.267 159 N C -0.741 174.850 175.510 0.134 0.000 0.998 159 N CA -0.032 53.094 53.050 0.128 0.000 0.918 159 N CB 1.913 40.454 38.487 0.090 0.000 1.215 159 N HN 0.774 nan 8.380 nan 0.000 0.500 160 A N 2.022 124.913 122.820 0.118 0.000 2.306 160 A HA 0.587 4.907 4.320 0.000 0.000 0.314 160 A C -0.487 177.116 177.584 0.033 0.000 1.164 160 A CA -0.568 51.496 52.037 0.046 0.000 0.822 160 A CB 0.669 19.701 19.000 0.053 0.000 1.130 160 A HN 0.572 nan 8.150 nan 0.000 0.496 161 L N 3.507 124.734 121.223 0.006 0.000 2.298 161 L HA 0.602 4.942 4.340 0.000 0.000 0.284 161 L C -0.904 175.963 176.870 -0.005 0.000 1.013 161 L CA -0.142 54.715 54.840 0.028 0.000 0.824 161 L CB 0.720 42.827 42.059 0.079 0.000 1.221 161 L HN 0.574 nan 8.230 nan 0.000 0.418 162 I N 6.149 126.717 120.570 -0.002 0.000 2.312 162 I HA 0.385 4.555 4.170 0.000 0.000 0.290 162 I C -0.719 175.374 176.117 -0.040 0.000 1.008 162 I CA -0.691 60.595 61.300 -0.023 0.000 1.226 162 I CB 1.503 39.491 38.000 -0.020 0.000 1.371 162 I HN 0.283 nan 8.210 nan 0.000 0.468 163 V N 5.786 125.657 119.914 -0.071 0.000 2.448 163 V HA 0.664 4.784 4.120 0.000 0.000 0.295 163 V C 0.078 175.980 176.094 -0.319 0.000 1.025 163 V CA -0.540 61.680 62.300 -0.133 0.000 0.859 163 V CB 1.735 33.542 31.823 -0.026 0.000 0.988 163 V HN 0.812 nan 8.190 nan 0.000 0.431 164 A N 3.769 126.422 122.820 -0.278 0.000 2.323 164 A HA 0.618 4.938 4.320 0.000 0.000 0.305 164 A C -0.600 176.789 177.584 -0.326 0.000 1.275 164 A CA -0.353 51.498 52.037 -0.310 0.000 0.804 164 A CB 0.948 19.839 19.000 -0.182 0.000 1.152 164 A HN 0.899 nan 8.150 nan 0.000 0.487 165 C N 3.680 122.710 119.300 -0.450 0.000 2.281 165 C HA 0.769 5.229 4.460 0.000 0.000 0.323 165 C C -0.875 173.838 174.990 -0.462 0.000 1.270 165 C CA -0.313 58.429 59.018 -0.460 0.000 1.559 165 C CB 0.098 27.578 27.740 -0.433 0.000 2.239 165 C HN 0.788 nan 8.230 nan 0.000 0.488 166 E N 5.235 125.133 120.200 -0.503 0.000 2.265 166 E HA 0.291 4.641 4.350 0.000 0.000 0.262 166 E C -1.323 175.175 176.600 -0.171 0.000 0.889 166 E CA -0.155 56.075 56.400 -0.283 0.000 0.789 166 E CB 1.395 31.045 29.700 -0.083 0.000 1.221 166 E HN 0.736 nan 8.360 nan 0.000 0.414 167 F N 1.387 121.447 119.950 0.184 0.000 2.389 167 F HA 0.191 4.718 4.527 0.000 0.000 0.327 167 F C 1.216 177.105 175.800 0.149 0.000 1.204 167 F CA -0.774 57.318 58.000 0.152 0.000 1.209 167 F CB 0.312 39.419 39.000 0.179 0.000 1.460 167 F HN 0.436 nan 8.300 nan 0.000 0.537 168 C N -0.345 119.116 119.300 0.269 0.000 2.409 168 C HA -0.194 4.266 4.460 0.000 0.000 0.284 168 C C 2.870 177.956 174.990 0.160 0.000 1.354 168 C CA 1.598 60.719 59.018 0.172 0.000 1.787 168 C CB -1.134 26.710 27.740 0.173 0.000 1.900 168 C HN 0.827 nan 8.230 nan 0.000 0.520 169 S N 0.667 116.477 115.700 0.183 0.000 2.447 169 S HA -0.059 4.411 4.470 0.000 0.000 0.233 169 S C 1.376 176.047 174.600 0.118 0.000 1.006 169 S CA 0.962 59.241 58.200 0.132 0.000 0.957 169 S CB -0.402 62.851 63.200 0.088 0.000 0.773 169 S HN 0.399 nan 8.310 nan 0.000 0.507 170 L N 0.806 122.114 121.223 0.140 0.000 2.552 170 L HA 0.228 4.568 4.340 0.000 0.000 0.227 170 L C 1.423 178.299 176.870 0.011 0.000 1.146 170 L CA 0.003 54.899 54.840 0.094 0.000 0.858 170 L CB -1.124 41.057 42.059 0.203 0.000 0.969 170 L HN 0.476 nan 8.230 nan 0.000 0.451 171 C N -1.232 118.086 119.300 0.030 0.000 2.668 171 C HA 0.198 4.658 4.460 0.000 0.000 0.301 171 C C 0.651 175.611 174.990 -0.051 0.000 1.351 171 C CA -0.954 58.029 59.018 -0.058 0.000 1.757 171 C CB -1.371 26.368 27.740 -0.001 0.000 2.179 171 C HN 0.305 nan 8.230 nan 0.000 0.586 172 Y N 2.864 123.093 120.300 -0.118 0.000 2.465 172 Y HA 0.332 4.882 4.550 0.000 0.000 0.331 172 Y C 0.200 176.032 175.900 -0.114 0.000 1.102 172 Y CA 0.425 58.478 58.100 -0.078 0.000 1.358 172 Y CB 0.402 38.837 38.460 -0.041 0.000 1.213 172 Y HN 0.320 nan 8.280 nan 0.000 0.525 173 Q N 8.572 127.964 119.800 -0.680 0.000 2.454 173 Q HA 0.239 4.579 4.340 0.000 0.000 0.255 173 Q C -2.137 173.496 176.000 -0.611 0.000 1.034 173 Q CA -1.915 53.559 55.803 -0.548 0.000 0.736 173 Q CB 1.479 29.944 28.738 -0.454 0.000 1.210 173 Q HN 0.581 nan 8.270 nan 0.000 0.500 174 P HA -0.191 nan 4.420 nan 0.000 0.218 174 P C 1.316 178.571 177.300 -0.075 0.000 1.146 174 P CA 1.635 64.537 63.100 -0.331 0.000 0.820 174 P CB 0.218 31.840 31.700 -0.129 0.000 0.778 175 T N -5.606 108.914 114.554 -0.057 0.000 3.067 175 T HA -0.002 4.348 4.350 0.000 0.000 0.261 175 T C 0.486 175.227 174.700 0.068 0.000 1.110 175 T CA 0.207 62.319 62.100 0.020 0.000 1.113 175 T CB -0.645 68.239 68.868 0.027 0.000 0.917 175 T HN -0.066 nan 8.240 nan 0.000 0.499 176 D N 1.334 121.777 120.400 0.072 0.000 2.336 176 D HA 0.345 4.985 4.640 0.000 0.000 0.249 176 D C 0.773 177.157 176.300 0.140 0.000 1.213 176 D CA -0.178 53.889 54.000 0.113 0.000 0.870 176 D CB 1.266 42.137 40.800 0.119 0.000 1.076 176 D HN 0.282 nan 8.370 nan 0.000 0.483 177 L N 1.303 122.617 121.223 0.152 0.000 2.638 177 L HA 0.249 4.589 4.340 0.000 0.000 0.232 177 L C 1.518 178.529 176.870 0.236 0.000 1.099 177 L CA -0.224 54.750 54.840 0.224 0.000 0.883 177 L CB 0.150 42.346 42.059 0.227 0.000 1.136 177 L HN 0.316 nan 8.230 nan 0.000 0.492 178 G N -0.004 108.889 108.800 0.155 0.000 2.559 178 G HA2 0.208 4.168 3.960 0.000 0.000 0.235 178 G HA3 0.208 4.168 3.960 0.000 0.000 0.235 178 G C 1.070 176.014 174.900 0.074 0.000 1.266 178 G CA -0.411 44.771 45.100 0.138 0.000 0.847 178 G HN -0.110 nan 8.290 nan 0.000 0.583 179 V N 2.670 122.612 119.914 0.047 0.000 2.392 179 V HA -0.153 3.967 4.120 0.000 0.000 0.249 179 V C 3.023 179.107 176.094 -0.016 0.000 1.059 179 V CA 2.417 64.686 62.300 -0.051 0.000 1.051 179 V CB -1.052 30.754 31.823 -0.027 0.000 0.658 179 V HN 0.873 nan 8.190 nan 0.000 0.455 180 G N -0.501 108.309 108.800 0.016 0.000 2.418 180 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 180 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 180 G C 1.836 176.786 174.900 0.084 0.000 1.158 180 G CA 1.190 46.313 45.100 0.039 0.000 0.771 180 G HN 0.523 nan 8.290 nan 0.000 0.545 181 S N 0.401 116.147 115.700 0.078 0.000 2.368 181 S HA -0.066 4.404 4.470 0.000 0.000 0.225 181 S C 2.254 176.917 174.600 0.105 0.000 1.030 181 S CA 0.859 59.131 58.200 0.119 0.000 0.999 181 S CB -0.244 63.023 63.200 0.111 0.000 0.844 181 S HN 0.175 nan 8.310 nan 0.000 0.459 182 L N 1.349 122.575 121.223 0.006 0.000 2.079 182 L HA -0.065 4.275 4.340 0.000 0.000 0.210 182 L C 2.178 179.052 176.870 0.006 0.000 1.081 182 L CA 1.241 56.035 54.840 -0.077 0.000 0.752 182 L CB -0.706 41.201 42.059 -0.253 0.000 0.896 182 L HN 0.278 nan 8.230 nan 0.000 0.433 183 L N -1.285 119.962 121.223 0.040 0.000 2.005 183 L HA -0.254 4.086 4.340 0.000 0.000 0.207 183 L C 2.613 179.586 176.870 0.171 0.000 1.072 183 L CA 1.607 56.496 54.840 0.081 0.000 0.744 183 L CB -1.276 40.833 42.059 0.082 0.000 0.895 183 L HN 0.381 nan 8.230 nan 0.000 0.433 184 C N 0.213 119.677 119.300 0.274 0.000 2.413 184 C HA -0.154 4.306 4.460 0.000 0.000 0.277 184 C C 2.370 177.610 174.990 0.418 0.000 1.265 184 C CA 0.612 59.920 59.018 0.483 0.000 1.752 184 C CB -1.220 26.841 27.740 0.535 0.000 1.998 184 C HN 0.581 nan 8.230 nan 0.000 0.489 185 N N 0.671 119.535 118.700 0.273 0.000 2.519 185 N HA -0.043 4.697 4.740 0.000 0.000 0.186 185 N C 1.496 177.090 175.510 0.140 0.000 1.062 185 N CA 1.394 54.575 53.050 0.219 0.000 0.910 185 N CB -0.407 38.206 38.487 0.210 0.000 0.958 185 N HN 0.699 nan 8.380 nan 0.000 0.445 186 G N -1.258 107.621 108.800 0.133 0.000 3.192 186 G HA2 0.114 4.074 3.960 0.000 0.000 0.239 186 G HA3 0.114 4.074 3.960 0.000 0.000 0.239 186 G C 1.174 176.113 174.900 0.065 0.000 1.084 186 G CA -0.131 45.014 45.100 0.075 0.000 0.784 186 G HN 0.177 nan 8.290 nan 0.000 0.540 187 L N -0.641 120.639 121.223 0.094 0.000 2.445 187 L HA 0.584 4.925 4.340 0.000 0.000 0.207 187 L C 0.136 176.918 176.870 -0.147 0.000 1.053 187 L CA 0.081 54.888 54.840 -0.055 0.000 0.841 187 L CB -0.042 41.918 42.059 -0.165 0.000 1.074 187 L HN -0.008 nan 8.230 nan 0.000 0.479 188 F N 0.043 120.033 119.950 0.066 0.000 2.399 188 F HA 0.550 5.077 4.527 0.000 0.000 0.342 188 F C 1.102 176.941 175.800 0.065 0.000 1.106 188 F CA 0.261 58.293 58.000 0.054 0.000 1.196 188 F CB 0.616 39.629 39.000 0.022 0.000 1.163 188 F HN 0.054 nan 8.300 nan 0.000 0.547 189 G N 0.875 109.811 108.800 0.226 0.000 3.105 189 G HA2 0.531 4.491 3.960 0.000 0.000 0.277 189 G HA3 0.531 4.491 3.960 0.000 0.000 0.277 189 G C -1.826 173.191 174.900 0.195 0.000 1.375 189 G CA -0.802 44.410 45.100 0.187 0.000 0.962 189 G HN 0.396 nan 8.290 nan 0.000 0.541 190 D N -0.733 119.778 120.400 0.185 0.000 2.248 190 D HA 0.673 5.313 4.640 0.000 0.000 0.246 190 D C 0.112 176.481 176.300 0.114 0.000 1.027 190 D CA 0.091 54.226 54.000 0.225 0.000 0.853 190 D CB 1.852 42.844 40.800 0.320 0.000 1.243 190 D HN 0.791 nan 8.370 nan 0.000 0.462 191 G N 0.148 108.995 108.800 0.078 0.000 2.655 191 G HA2 0.522 4.482 3.960 0.000 0.000 0.296 191 G HA3 0.522 4.482 3.960 0.000 0.000 0.296 191 G C -1.496 173.358 174.900 -0.078 0.000 1.485 191 G CA -0.661 44.405 45.100 -0.056 0.000 0.869 191 G HN 0.364 nan 8.290 nan 0.000 0.540 192 I N 1.000 121.519 120.570 -0.085 0.000 2.465 192 I HA 0.682 4.852 4.170 0.000 0.000 0.291 192 I C 0.357 176.421 176.117 -0.089 0.000 1.014 192 I CA -0.855 60.386 61.300 -0.098 0.000 1.093 192 I CB 2.094 40.071 38.000 -0.039 0.000 1.267 192 I HN 0.729 nan 8.210 nan 0.000 0.431 193 A N 4.850 127.609 122.820 -0.101 0.000 2.384 193 A HA 1.010 5.330 4.320 0.000 0.000 0.312 193 A C -1.012 176.528 177.584 -0.074 0.000 1.113 193 A CA -0.579 51.410 52.037 -0.079 0.000 0.779 193 A CB 1.876 20.829 19.000 -0.079 0.000 1.307 193 A HN 0.860 nan 8.150 nan 0.000 0.436 194 A N -0.205 122.581 122.820 -0.057 0.000 2.540 194 A HA 0.904 5.224 4.320 0.000 0.000 0.297 194 A C -0.644 176.914 177.584 -0.045 0.000 1.056 194 A CA 0.177 52.192 52.037 -0.037 0.000 0.700 194 A CB 1.106 20.104 19.000 -0.004 0.000 1.280 194 A HN 2.626 nan 8.150 nan 0.000 0.398 195 A N 0.908 123.708 122.820 -0.033 0.000 2.589 195 A HA 0.725 5.045 4.320 0.000 0.000 0.296 195 A C -1.313 176.266 177.584 -0.008 0.000 1.062 195 A CA -0.436 51.576 52.037 -0.041 0.000 0.686 195 A CB 1.224 20.188 19.000 -0.061 0.000 1.282 195 A HN 1.578 nan 8.150 nan 0.000 0.404 196 V N 1.218 121.131 119.914 -0.002 0.000 2.472 196 V HA 0.521 4.641 4.120 0.000 0.000 0.290 196 V C -0.348 175.757 176.094 0.020 0.000 1.037 196 V CA -0.491 61.822 62.300 0.021 0.000 0.908 196 V CB 1.708 33.548 31.823 0.027 0.000 0.985 196 V HN 0.676 nan 8.190 nan 0.000 0.454 197 V N 5.876 125.810 119.914 0.034 0.000 2.284 197 V HA 0.392 4.512 4.120 0.000 0.000 0.274 197 V C 0.226 176.345 176.094 0.041 0.000 1.023 197 V CA -0.626 61.694 62.300 0.033 0.000 0.808 197 V CB 0.960 32.811 31.823 0.047 0.000 1.035 197 V HN 0.786 nan 8.190 nan 0.000 0.445 198 R N 2.866 123.379 120.500 0.022 0.000 2.234 198 R HA 0.358 4.698 4.340 0.000 0.000 0.324 198 R C 1.509 177.814 176.300 0.008 0.000 1.054 198 R CA 0.192 56.306 56.100 0.023 0.000 0.912 198 R CB 1.199 31.506 30.300 0.012 0.000 1.030 198 R HN 0.774 nan 8.270 nan 0.000 0.455 199 G N 2.880 111.693 108.800 0.022 0.000 2.448 199 G HA2 -0.155 3.805 3.960 0.000 0.000 0.218 199 G HA3 -0.155 3.805 3.960 0.000 0.000 0.218 199 G C 0.957 175.852 174.900 -0.009 0.000 1.135 199 G CA 0.450 45.550 45.100 -0.000 0.000 0.784 199 G HN 0.309 nan 8.290 nan 0.000 0.543 200 R N 0.454 120.955 120.500 0.002 0.000 1.357 200 R HA 0.291 4.631 4.340 0.000 0.000 0.099 200 R C 1.864 178.158 176.300 -0.009 0.000 1.519 200 R CA 0.258 56.356 56.100 -0.003 0.000 1.981 200 R CB -1.319 28.984 30.300 0.005 0.000 1.068 200 R HN 0.160 nan 8.270 nan 0.000 0.638 201 G N -0.852 107.945 108.800 -0.005 0.000 2.379 201 G HA2 0.325 4.285 3.960 0.000 0.000 0.287 201 G HA3 0.325 4.285 3.960 0.000 0.000 0.287 201 G C -0.077 174.813 174.900 -0.017 0.000 1.422 201 G CA 0.449 45.543 45.100 -0.010 0.000 1.081 201 G HN 0.656 nan 8.290 nan 0.000 0.569 202 G N -3.233 105.557 108.800 -0.017 0.000 2.629 202 G HA2 0.375 4.335 3.960 0.000 0.000 0.686 202 G HA3 0.375 4.335 3.960 0.000 0.000 0.686 202 G C -0.299 174.570 174.900 -0.051 0.000 1.232 202 G CA 0.294 45.381 45.100 -0.021 0.000 0.803 202 G HN 1.457 nan 8.290 nan 0.000 0.638 203 T N 0.278 114.802 114.554 -0.049 0.000 2.812 203 T HA 0.956 5.306 4.350 0.000 0.000 0.282 203 T C 0.769 175.347 174.700 -0.204 0.000 0.990 203 T CA 1.292 63.321 62.100 -0.118 0.000 0.960 203 T CB 1.054 69.901 68.868 -0.036 0.000 0.948 203 T HN 2.584 nan 8.240 nan 0.000 0.438 204 G N 2.660 111.120 108.800 -0.567 0.000 2.564 204 G HA2 0.305 4.265 3.960 0.000 0.000 0.139 204 G HA3 0.305 4.265 3.960 0.000 0.000 0.139 204 G C -1.468 172.706 174.900 -1.211 0.000 1.147 204 G CA -0.094 44.450 45.100 -0.927 0.000 1.031 204 G HN 0.853 nan 8.290 nan 0.000 0.482 205 V N 1.901 121.429 119.914 -0.644 0.000 2.364 205 V HA 0.550 4.670 4.120 0.000 0.000 0.272 205 V C 0.791 176.807 176.094 -0.130 0.000 1.036 205 V CA -0.487 61.613 62.300 -0.333 0.000 0.880 205 V CB 1.054 32.914 31.823 0.062 0.000 0.991 205 V HN 0.758 nan 8.190 nan 0.000 0.460 206 R N 4.326 124.770 120.500 -0.094 0.000 2.389 206 R HA 0.294 4.634 4.340 0.000 0.000 0.295 206 R C 0.851 177.176 176.300 0.042 0.000 1.075 206 R CA -0.720 55.362 56.100 -0.030 0.000 1.005 206 R CB 0.667 30.962 30.300 -0.007 0.000 0.987 206 R HN 0.648 nan 8.270 nan 0.000 0.452 207 L N 2.734 123.950 121.223 -0.012 0.000 2.260 207 L HA -0.244 4.096 4.340 0.000 0.000 0.248 207 L C -0.029 176.919 176.870 0.130 0.000 1.063 207 L CA 1.177 56.020 54.840 0.006 0.000 0.888 207 L CB -0.985 40.854 42.059 -0.366 0.000 0.937 207 L HN 0.908 nan 8.230 nan 0.000 0.417 208 E N -0.081 120.226 120.200 0.178 0.000 2.267 208 E HA -0.146 4.204 4.350 0.000 0.000 0.237 208 E C -0.607 175.899 176.600 -0.156 0.000 1.170 208 E CA 0.551 57.016 56.400 0.109 0.000 0.704 208 E CB -1.064 28.711 29.700 0.126 0.000 1.234 208 E HN 0.549 nan 8.360 nan 0.000 0.397 209 R N -0.008 120.480 120.500 -0.019 0.000 1.623 209 R HA -0.105 4.236 4.340 0.000 0.000 0.404 209 R C -1.287 174.879 176.300 -0.224 0.000 1.164 209 R CA 0.703 56.696 56.100 -0.179 0.000 0.699 209 R CB -1.090 29.024 30.300 -0.311 0.000 2.493 209 R HN 0.598 nan 8.270 nan 0.000 0.494 210 N N 1.057 119.594 118.700 -0.272 0.000 2.314 210 N HA 0.736 5.476 4.740 0.000 0.000 0.294 210 N C -0.100 175.318 175.510 -0.153 0.000 1.029 210 N CA -0.037 52.879 53.050 -0.223 0.000 0.845 210 N CB 2.404 40.698 38.487 -0.321 0.000 1.321 210 N HN 0.465 nan 8.380 nan 0.000 0.481 211 G N -0.630 108.123 108.800 -0.078 0.000 2.818 211 G HA2 0.664 4.624 3.960 0.000 0.000 0.286 211 G HA3 0.664 4.624 3.960 0.000 0.000 0.286 211 G C -1.545 173.362 174.900 0.012 0.000 1.364 211 G CA -0.831 44.249 45.100 -0.033 0.000 0.938 211 G HN 0.685 nan 8.290 nan 0.000 0.490 212 S N -1.589 114.133 115.700 0.037 0.000 2.569 212 S HA 0.753 5.223 4.470 0.000 0.000 0.280 212 S C -1.978 172.694 174.600 0.120 0.000 1.111 212 S CA -0.634 57.607 58.200 0.068 0.000 0.887 212 S CB 1.656 64.873 63.200 0.028 0.000 1.095 212 S HN 0.919 nan 8.310 nan 0.000 0.476 213 Y N 3.295 123.582 120.300 -0.022 0.000 2.504 213 Y HA 0.673 5.223 4.550 0.000 0.000 0.344 213 Y C -1.882 173.976 175.900 -0.071 0.000 1.023 213 Y CA -0.993 57.078 58.100 -0.049 0.000 1.020 213 Y CB 1.498 39.924 38.460 -0.057 0.000 1.282 213 Y HN 0.650 nan 8.280 nan 0.000 0.454 214 L N 8.152 128.840 121.223 -0.892 0.000 2.372 214 L HA 0.503 4.843 4.340 0.000 0.000 0.273 214 L C -1.068 175.324 176.870 -0.796 0.000 0.989 214 L CA -0.572 53.906 54.840 -0.603 0.000 0.841 214 L CB 0.843 42.674 42.059 -0.379 0.000 1.225 214 L HN 0.716 nan 8.230 nan 0.000 0.414 215 I N 6.959 127.285 120.570 -0.407 0.000 2.662 215 I HA 0.061 4.231 4.170 0.000 0.000 0.285 215 I C -1.800 174.133 176.117 -0.307 0.000 1.161 215 I CA -1.312 59.854 61.300 -0.223 0.000 1.415 215 I CB 0.333 38.245 38.000 -0.147 0.000 1.385 215 I HN 0.383 nan 8.210 nan 0.000 0.552 216 P HA -0.022 nan 4.420 nan 0.000 0.266 216 P C -0.537 176.596 177.300 -0.278 0.000 1.195 216 P CA -0.090 62.868 63.100 -0.238 0.000 0.768 216 P CB 0.282 31.883 31.700 -0.166 0.000 0.838 217 K N 0.247 120.503 120.400 -0.241 0.000 3.278 217 K HA -0.165 4.155 4.320 0.000 0.000 0.270 217 K C 0.126 176.461 176.600 -0.441 0.000 0.955 217 K CA 1.246 57.390 56.287 -0.239 0.000 0.723 217 K CB -2.436 29.972 32.500 -0.154 0.000 1.382 217 K HN 0.690 nan 8.250 nan 0.000 0.461 218 T N -4.199 110.032 114.554 -0.539 0.000 3.399 218 T HA 0.200 4.550 4.350 0.000 0.000 0.305 218 T C 0.845 175.321 174.700 -0.374 0.000 0.983 218 T CA -0.523 60.993 62.100 -0.973 0.000 0.967 218 T CB 0.449 68.652 68.868 -1.108 0.000 1.186 218 T HN 0.170 nan 8.240 nan 0.000 0.504 219 E N 2.734 122.833 120.200 -0.169 0.000 2.085 219 E HA -0.149 4.201 4.350 0.000 0.000 0.194 219 E C 1.542 178.173 176.600 0.053 0.000 0.994 219 E CA 1.805 58.177 56.400 -0.048 0.000 0.801 219 E CB -0.114 29.563 29.700 -0.039 0.000 0.743 219 E HN 0.744 nan 8.360 nan 0.000 0.453 220 D N -1.099 119.397 120.400 0.161 0.000 2.325 220 D HA -0.081 4.559 4.640 0.000 0.000 0.225 220 D C 0.633 177.080 176.300 0.244 0.000 1.096 220 D CA -0.056 54.046 54.000 0.169 0.000 0.844 220 D CB -0.402 40.473 40.800 0.124 0.000 0.925 220 D HN 0.187 nan 8.370 nan 0.000 0.513 221 W N 0.897 122.157 121.300 -0.066 0.000 2.476 221 W HA 0.312 4.972 4.660 0.000 0.000 0.281 221 W C 0.598 177.057 176.519 -0.100 0.000 1.230 221 W CA -0.010 57.294 57.345 -0.069 0.000 1.287 221 W CB 0.098 29.530 29.460 -0.046 0.000 1.108 221 W HN -0.062 nan 8.180 nan 0.000 0.567 222 I N 1.073 121.718 120.570 0.125 0.000 2.560 222 I HA 0.246 4.416 4.170 0.000 0.000 0.278 222 I C -0.202 175.892 176.117 -0.039 0.000 1.089 222 I CA -0.476 60.825 61.300 0.001 0.000 1.086 222 I CB 0.197 38.271 38.000 0.123 0.000 1.202 222 I HN -0.211 nan 8.210 nan 0.000 0.471 223 M N 3.130 122.636 119.600 -0.158 0.000 2.924 223 M HA 0.571 5.051 4.480 0.000 0.000 0.271 223 M C -2.001 174.291 176.300 -0.014 0.000 1.280 223 M CA -0.817 54.435 55.300 -0.081 0.000 0.813 223 M CB 2.946 35.534 32.600 -0.021 0.000 1.658 223 M HN 0.192 nan 8.290 nan 0.000 0.467 224 Y N -0.036 120.259 120.300 -0.007 0.000 2.429 224 Y HA 0.435 4.986 4.550 0.000 0.000 0.342 224 Y C -0.958 174.942 175.900 0.000 0.000 1.004 224 Y CA -0.963 57.146 58.100 0.016 0.000 1.075 224 Y CB 2.021 40.425 38.460 -0.093 0.000 1.214 224 Y HN 0.647 nan 8.280 nan 0.000 0.455 225 D N 2.279 122.803 120.400 0.207 0.000 2.233 225 D HA 0.313 4.954 4.640 0.000 0.000 0.240 225 D C -1.084 175.263 176.300 0.078 0.000 1.074 225 D CA -0.105 53.939 54.000 0.073 0.000 0.838 225 D CB 2.002 42.801 40.800 -0.002 0.000 1.124 225 D HN 0.102 nan 8.370 nan 0.000 0.475 226 V N 4.557 124.497 119.914 0.044 0.000 2.333 226 V HA 0.336 4.456 4.120 0.000 0.000 0.274 226 V C 0.400 176.488 176.094 -0.010 0.000 1.028 226 V CA -0.354 61.994 62.300 0.079 0.000 0.851 226 V CB 0.674 32.553 31.823 0.092 0.000 1.000 226 V HN 0.357 nan 8.190 nan 0.000 0.456 227 K N 2.821 123.190 120.400 -0.052 0.000 2.349 227 K HA 0.741 5.061 4.320 0.000 0.000 0.243 227 K C 1.164 177.715 176.600 -0.081 0.000 1.058 227 K CA -0.432 55.796 56.287 -0.098 0.000 0.871 227 K CB 1.517 33.883 32.500 -0.223 0.000 1.337 227 K HN 0.399 nan 8.250 nan 0.000 0.469 228 A N 0.296 123.088 122.820 -0.047 0.000 2.125 228 A HA -0.118 4.202 4.320 0.000 0.000 0.219 228 A C 1.617 179.196 177.584 -0.009 0.000 1.156 228 A CA 2.020 54.056 52.037 -0.002 0.000 0.671 228 A CB -1.001 17.992 19.000 -0.010 0.000 0.794 228 A HN 0.768 nan 8.150 nan 0.000 0.459 229 T N -4.294 110.229 114.554 -0.052 0.000 3.060 229 T HA 0.480 4.831 4.350 0.000 0.000 0.249 229 T C 1.127 175.667 174.700 -0.267 0.000 1.079 229 T CA 0.960 63.016 62.100 -0.074 0.000 1.013 229 T CB 0.258 69.098 68.868 -0.047 0.000 0.975 229 T HN 1.635 nan 8.240 nan 0.000 0.518 230 G N 1.686 110.070 108.800 -0.693 0.000 2.395 230 G HA2 0.085 4.045 3.960 0.000 0.000 0.201 230 G HA3 0.085 4.045 3.960 0.000 0.000 0.201 230 G C -1.470 172.945 174.900 -0.809 0.000 1.206 230 G CA -0.868 43.234 45.100 -1.664 0.000 1.210 230 G HN 0.238 nan 8.290 nan 0.000 0.557 231 F N 2.147 121.679 119.950 -0.696 0.000 2.404 231 F HA 0.659 5.186 4.527 0.000 0.000 0.354 231 F C 0.239 175.750 175.800 -0.481 0.000 1.122 231 F CA -1.081 56.498 58.000 -0.702 0.000 1.080 231 F CB 1.317 39.461 39.000 -1.426 0.000 1.131 231 F HN 0.341 nan 8.300 nan 0.000 0.471 232 H N 3.086 122.102 119.070 -0.091 0.000 2.597 232 H HA 0.237 4.793 4.556 0.000 0.000 0.303 232 H C -0.676 174.789 175.328 0.229 0.000 1.057 232 H CA -0.870 55.202 56.048 0.041 0.000 1.261 232 H CB 0.571 30.336 29.762 0.005 0.000 1.397 232 H HN 0.426 nan 8.280 nan 0.000 0.461 233 F N 4.083 124.163 119.950 0.216 0.000 2.467 233 F HA 0.258 4.785 4.527 0.000 0.000 0.362 233 F C -0.717 175.170 175.800 0.145 0.000 1.090 233 F CA -0.619 57.533 58.000 0.254 0.000 1.202 233 F CB 0.227 39.287 39.000 0.100 0.000 1.113 233 F HN 0.411 nan 8.300 nan 0.000 0.541 234 L N 7.963 128.866 121.223 -0.534 0.000 2.319 234 L HA 0.443 4.783 4.340 0.000 0.000 0.281 234 L C -0.928 175.535 176.870 -0.678 0.000 1.005 234 L CA -0.480 54.097 54.840 -0.438 0.000 0.828 234 L CB 1.543 43.486 42.059 -0.193 0.000 1.227 234 L HN 0.535 nan 8.230 nan 0.000 0.415 235 L N 3.220 124.161 121.223 -0.471 0.000 2.349 235 L HA 0.435 4.775 4.340 0.000 0.000 0.278 235 L C -0.608 176.159 176.870 -0.171 0.000 0.996 235 L CA -0.552 54.110 54.840 -0.297 0.000 0.825 235 L CB 2.064 44.062 42.059 -0.100 0.000 1.243 235 L HN 0.519 nan 8.230 nan 0.000 0.412 236 D N 3.252 123.540 120.400 -0.187 0.000 2.345 236 D HA 0.032 4.672 4.640 0.000 0.000 0.247 236 D C 1.006 177.167 176.300 -0.233 0.000 1.108 236 D CA -0.152 53.666 54.000 -0.302 0.000 0.894 236 D CB 1.486 41.902 40.800 -0.639 0.000 1.203 236 D HN 0.533 nan 8.370 nan 0.000 0.430 237 K N 2.613 122.881 120.400 -0.220 0.000 2.281 237 K HA -0.130 4.190 4.320 0.000 0.000 0.203 237 K C 1.131 177.648 176.600 -0.137 0.000 1.046 237 K CA 0.945 57.151 56.287 -0.136 0.000 0.938 237 K CB 0.050 32.483 32.500 -0.113 0.000 0.737 237 K HN 0.268 nan 8.250 nan 0.000 0.458 238 R N 1.457 121.787 120.500 -0.284 0.000 2.319 238 R HA 0.023 4.363 4.340 0.000 0.000 0.204 238 R C 2.141 178.466 176.300 0.042 0.000 0.954 238 R CA 0.459 56.436 56.100 -0.205 0.000 1.066 238 R CB -0.067 29.941 30.300 -0.486 0.000 0.991 238 R HN 0.230 nan 8.270 nan 0.000 0.486 239 V N -0.566 119.389 119.914 0.068 0.000 2.295 239 V HA -0.078 4.042 4.120 0.000 0.000 0.246 239 V C -0.616 175.589 176.094 0.185 0.000 1.049 239 V CA 1.006 63.441 62.300 0.225 0.000 1.024 239 V CB -1.663 30.271 31.823 0.186 0.000 0.648 239 V HN 0.140 nan 8.190 nan 0.000 0.447 240 P HA -0.208 nan 4.420 nan 0.000 0.216 240 P C 1.817 179.221 177.300 0.173 0.000 1.150 240 P CA 2.715 65.899 63.100 0.139 0.000 0.843 240 P CB -0.228 31.537 31.700 0.108 0.000 0.787 241 A N 0.382 123.305 122.820 0.172 0.000 2.070 241 A HA -0.149 4.171 4.320 0.000 0.000 0.220 241 A C 2.262 179.936 177.584 0.149 0.000 1.159 241 A CA 2.330 54.480 52.037 0.188 0.000 0.656 241 A CB -2.006 17.087 19.000 0.156 0.000 0.800 241 A HN 0.423 nan 8.150 nan 0.000 0.453 242 T N -3.565 111.086 114.554 0.162 0.000 3.025 242 T HA -0.126 4.224 4.350 0.000 0.000 0.270 242 T C 1.495 176.193 174.700 -0.002 0.000 1.126 242 T CA 1.591 63.736 62.100 0.074 0.000 1.105 242 T CB -0.413 68.505 68.868 0.084 0.000 0.884 242 T HN 0.180 nan 8.240 nan 0.000 0.522 243 M N 1.320 120.971 119.600 0.085 0.000 2.374 243 M HA 0.135 4.615 4.480 0.000 0.000 0.264 243 M C 2.064 178.400 176.300 0.060 0.000 1.067 243 M CA 0.942 56.321 55.300 0.132 0.000 1.103 243 M CB -0.606 32.175 32.600 0.302 0.000 1.402 243 M HN 0.504 nan 8.290 nan 0.000 0.444 244 E N -0.231 119.849 120.200 -0.201 0.000 2.015 244 E HA -0.145 4.205 4.350 0.000 0.000 0.191 244 E C -0.953 175.413 176.600 -0.390 0.000 0.991 244 E CA 1.190 57.118 56.400 -0.787 0.000 0.802 244 E CB -0.720 28.435 29.700 -0.909 0.000 0.759 244 E HN 0.268 nan 8.360 nan 0.000 0.447 245 P HA -0.077 nan 4.420 nan 0.000 0.229 245 P C 1.034 178.208 177.300 -0.210 0.000 1.160 245 P CA 0.606 63.594 63.100 -0.186 0.000 0.777 245 P CB 0.144 31.768 31.700 -0.126 0.000 0.814 246 L N -0.782 120.316 121.223 -0.209 0.000 2.249 246 L HA 0.262 4.602 4.340 0.000 0.000 0.207 246 L C 2.093 178.838 176.870 -0.208 0.000 1.090 246 L CA 1.120 55.789 54.840 -0.284 0.000 0.802 246 L CB -1.496 40.346 42.059 -0.362 0.000 0.947 246 L HN -0.157 nan 8.230 nan 0.000 0.453 247 A N 1.525 124.299 122.820 -0.078 0.000 1.873 247 A HA -0.127 4.193 4.320 0.000 0.000 0.218 247 A C -0.058 177.510 177.584 -0.027 0.000 1.193 247 A CA 2.118 54.174 52.037 0.033 0.000 0.629 247 A CB -2.241 16.839 19.000 0.134 0.000 0.826 247 A HN 0.498 nan 8.150 nan 0.000 0.447 248 P HA -0.116 nan 4.420 nan 0.000 0.221 248 P C 1.334 178.531 177.300 -0.172 0.000 1.145 248 P CA 1.725 64.764 63.100 -0.101 0.000 0.795 248 P CB -0.137 31.493 31.700 -0.116 0.000 0.775 249 A N -0.367 122.264 122.820 -0.316 0.000 2.014 249 A HA -0.047 4.273 4.320 0.000 0.000 0.218 249 A C 2.332 179.794 177.584 -0.204 0.000 1.163 249 A CA 0.890 52.641 52.037 -0.477 0.000 0.652 249 A CB -1.291 17.107 19.000 -1.004 0.000 0.808 249 A HN 0.148 nan 8.150 nan 0.000 0.449 250 L N -0.931 120.241 121.223 -0.084 0.000 2.068 250 L HA -0.097 4.243 4.340 0.000 0.000 0.204 250 L C 2.500 179.393 176.870 0.038 0.000 1.076 250 L CA 1.314 56.171 54.840 0.028 0.000 0.753 250 L CB -0.377 41.756 42.059 0.123 0.000 0.910 250 L HN 0.271 nan 8.230 nan 0.000 0.439 251 K N -0.233 120.192 120.400 0.040 0.000 2.026 251 K HA -0.201 4.119 4.320 0.000 0.000 0.208 251 K C 2.074 178.691 176.600 0.029 0.000 1.048 251 K CA 1.126 57.447 56.287 0.056 0.000 0.929 251 K CB -0.189 32.344 32.500 0.054 0.000 0.713 251 K HN 0.136 nan 8.250 nan 0.000 0.439 252 E N 0.976 121.171 120.200 -0.010 0.000 2.147 252 E HA -0.218 4.132 4.350 0.000 0.000 0.199 252 E C 1.705 178.303 176.600 -0.003 0.000 1.005 252 E CA 1.016 57.406 56.400 -0.017 0.000 0.810 252 E CB 0.021 29.687 29.700 -0.056 0.000 0.736 252 E HN 0.208 nan 8.360 nan 0.000 0.460 253 L N -0.602 120.619 121.223 -0.004 0.000 2.477 253 L HA 0.146 4.486 4.340 0.000 0.000 0.220 253 L C 2.005 178.875 176.870 0.000 0.000 1.106 253 L CA 1.178 56.017 54.840 -0.002 0.000 0.851 253 L CB -0.657 41.399 42.059 -0.005 0.000 0.994 253 L HN -0.030 nan 8.230 nan 0.000 0.462 254 A N 0.289 123.126 122.820 0.028 0.000 1.872 254 A HA -0.013 4.307 4.320 0.000 0.000 0.214 254 A C 2.276 179.906 177.584 0.076 0.000 1.187 254 A CA 1.347 53.420 52.037 0.061 0.000 0.614 254 A CB -1.164 17.905 19.000 0.115 0.000 0.826 254 A HN 0.443 nan 8.150 nan 0.000 0.442 255 G N -0.430 108.412 108.800 0.070 0.000 2.440 255 G HA2 -0.211 3.750 3.960 0.000 0.000 0.218 255 G HA3 -0.211 3.750 3.960 0.000 0.000 0.218 255 G C 1.207 176.125 174.900 0.030 0.000 1.154 255 G CA 1.138 46.277 45.100 0.066 0.000 0.767 255 G HN 0.435 nan 8.290 nan 0.000 0.552 256 E N -0.276 119.933 120.200 0.015 0.000 2.448 256 E HA -0.092 4.258 4.350 0.000 0.000 0.203 256 E C 1.569 178.157 176.600 -0.019 0.000 1.046 256 E CA 0.434 56.832 56.400 -0.003 0.000 0.871 256 E CB -0.216 29.483 29.700 -0.002 0.000 0.790 256 E HN 0.686 nan 8.360 nan 0.000 0.545 257 H N -1.913 117.048 119.070 -0.182 0.000 2.785 257 H HA 0.205 4.761 4.556 0.000 0.000 0.268 257 H C 0.971 176.076 175.328 -0.370 0.000 1.153 257 H CA 0.700 56.530 56.048 -0.364 0.000 1.111 257 H CB 0.548 29.941 29.762 -0.614 0.000 1.633 257 H HN 0.208 nan 8.280 nan 0.000 0.576 258 G N 1.237 109.994 108.800 -0.072 0.000 2.184 258 G HA2 -0.263 3.697 3.960 0.000 0.000 0.264 258 G HA3 -0.263 3.697 3.960 0.000 0.000 0.264 258 G C 0.419 175.544 174.900 0.375 0.000 0.975 258 G CA 0.489 45.647 45.100 0.098 0.000 0.642 258 G HN 0.412 nan 8.290 nan 0.000 0.536 259 W N 0.974 122.348 121.300 0.123 0.000 2.966 259 W HA 0.464 5.124 4.660 0.000 0.000 0.406 259 W C 1.017 177.589 176.519 0.088 0.000 1.027 259 W CA -0.814 56.598 57.345 0.113 0.000 1.930 259 W CB -0.708 28.839 29.460 0.146 0.000 1.144 259 W HN 0.289 nan 8.180 nan 0.000 0.626 260 D N 1.259 121.817 120.400 0.264 0.000 1.852 260 D HA 0.003 4.643 4.640 0.000 0.000 0.277 260 D C 2.166 178.572 176.300 0.176 0.000 1.056 260 D CA 2.939 57.054 54.000 0.191 0.000 0.962 260 D CB -0.066 40.810 40.800 0.127 0.000 1.390 260 D HN -0.062 nan 8.370 nan 0.000 0.518 261 A N -1.326 121.576 122.820 0.135 0.000 4.411 261 A HA -0.305 4.015 4.320 0.000 0.000 0.252 261 A C 1.203 178.860 177.584 0.121 0.000 0.659 261 A CA 2.707 54.813 52.037 0.115 0.000 1.147 261 A CB -2.094 16.973 19.000 0.112 0.000 1.142 261 A HN 1.484 nan 8.150 nan 0.000 0.682 262 S N -0.753 115.041 115.700 0.157 0.000 4.051 262 S HA 0.065 4.535 4.470 0.000 0.000 0.447 262 S C -0.588 174.129 174.600 0.195 0.000 0.867 262 S CA 1.799 60.113 58.200 0.191 0.000 1.246 262 S CB -1.810 61.479 63.200 0.149 0.000 0.825 262 S HN 2.455 nan 8.310 nan 0.000 0.579 263 D N 1.732 122.273 120.400 0.235 0.000 2.926 263 D HA 0.164 4.804 4.640 0.000 0.000 0.234 263 D C -0.350 176.082 176.300 0.219 0.000 1.434 263 D CA -0.757 53.373 54.000 0.216 0.000 0.951 263 D CB -0.475 40.397 40.800 0.119 0.000 1.500 263 D HN 0.260 nan 8.370 nan 0.000 0.558 264 L N 0.776 122.196 121.223 0.327 0.000 2.472 264 L HA 0.418 4.758 4.340 0.000 0.000 0.256 264 L C 1.007 177.997 176.870 0.199 0.000 1.111 264 L CA 0.099 55.020 54.840 0.136 0.000 0.800 264 L CB 0.821 42.784 42.059 -0.160 0.000 1.286 264 L HN 0.224 nan 8.230 nan 0.000 0.479 265 D N -0.077 120.396 120.400 0.121 0.000 2.402 265 D HA 0.141 4.781 4.640 0.000 0.000 0.216 265 D C -0.634 175.846 176.300 0.299 0.000 1.128 265 D CA 0.482 54.578 54.000 0.161 0.000 0.833 265 D CB 0.334 41.165 40.800 0.051 0.000 0.971 265 D HN 0.251 nan 8.370 nan 0.000 0.503 266 F N 0.978 120.982 119.950 0.089 0.000 3.482 266 F HA 0.260 4.787 4.527 0.000 0.000 0.383 266 F C -2.406 173.456 175.800 0.104 0.000 1.242 266 F CA -0.985 57.087 58.000 0.121 0.000 1.339 266 F CB -0.256 38.779 39.000 0.059 0.000 1.855 266 F HN -0.304 nan 8.300 nan 0.000 0.731 267 Y N 6.482 126.818 120.300 0.059 0.000 2.328 267 Y HA 0.663 5.213 4.550 0.000 0.000 0.337 267 Y C 0.114 176.053 175.900 0.065 0.000 1.008 267 Y CA -0.828 57.295 58.100 0.038 0.000 1.129 267 Y CB 1.486 40.105 38.460 0.264 0.000 1.185 267 Y HN 0.428 nan 8.280 nan 0.000 0.476 268 I N 6.085 126.664 120.570 0.014 0.000 2.796 268 I HA 0.195 4.366 4.170 0.000 0.000 0.279 268 I C -0.947 175.147 176.117 -0.039 0.000 1.289 268 I CA -0.491 60.826 61.300 0.029 0.000 1.021 268 I CB 0.671 38.635 38.000 -0.060 0.000 1.414 268 I HN 0.310 nan 8.210 nan 0.000 0.562 269 V N 1.597 121.471 119.914 -0.068 0.000 2.715 269 V HA 0.626 4.746 4.120 0.000 0.000 0.310 269 V C -0.784 175.156 176.094 -0.257 0.000 1.054 269 V CA -0.531 61.607 62.300 -0.270 0.000 0.928 269 V CB 2.249 33.806 31.823 -0.444 0.000 1.007 269 V HN 0.639 nan 8.190 nan 0.000 0.437 270 H N 3.548 122.364 119.070 -0.423 0.000 2.685 270 H HA 0.832 5.388 4.556 0.000 0.000 0.307 270 H C 0.190 175.313 175.328 -0.340 0.000 1.017 270 H CA 0.161 56.031 56.048 -0.297 0.000 1.237 270 H CB 1.428 31.085 29.762 -0.175 0.000 1.409 270 H HN 0.965 nan 8.280 nan 0.000 0.488 271 A N 3.269 125.836 122.820 -0.421 0.000 1.884 271 A HA 0.490 4.810 4.320 0.000 0.000 0.212 271 A C 1.290 178.708 177.584 -0.278 0.000 1.265 271 A CA 0.526 52.412 52.037 -0.251 0.000 0.626 271 A CB -0.388 18.598 19.000 -0.023 0.000 0.943 271 A HN 1.293 nan 8.150 nan 0.000 0.466 272 G N -2.011 106.727 108.800 -0.103 0.000 2.465 272 G HA2 0.534 4.494 3.960 0.000 0.000 0.230 272 G HA3 0.534 4.494 3.960 0.000 0.000 0.230 272 G C 0.418 175.327 174.900 0.014 0.000 1.324 272 G CA 0.163 45.267 45.100 0.007 0.000 0.878 272 G HN 2.146 nan 8.290 nan 0.000 0.497 273 G N 0.544 109.353 108.800 0.014 0.000 2.764 273 G HA2 0.480 4.441 3.960 0.000 0.000 0.678 273 G HA3 0.480 4.441 3.960 0.000 0.000 0.678 273 G C -1.064 173.849 174.900 0.021 0.000 1.341 273 G CA 0.110 45.211 45.100 0.003 0.000 0.836 273 G HN 0.481 nan 8.290 nan 0.000 0.632 274 P HA -0.200 nan 4.420 nan 0.000 0.220 274 P C 1.630 178.953 177.300 0.039 0.000 1.144 274 P CA 1.061 64.180 63.100 0.032 0.000 0.800 274 P CB 0.281 31.995 31.700 0.023 0.000 0.772 275 R N 0.824 121.345 120.500 0.036 0.000 2.109 275 R HA -0.113 4.227 4.340 0.000 0.000 0.227 275 R C 2.607 178.943 176.300 0.059 0.000 1.132 275 R CA 1.830 57.956 56.100 0.044 0.000 0.907 275 R CB -1.376 28.952 30.300 0.047 0.000 0.825 275 R HN 0.077 nan 8.270 nan 0.000 0.432 276 I N 0.570 121.182 120.570 0.070 0.000 2.248 276 I HA -0.284 3.886 4.170 0.000 0.000 0.248 276 I C 2.258 178.427 176.117 0.087 0.000 1.107 276 I CA 0.921 62.278 61.300 0.094 0.000 1.373 276 I CB -0.452 37.609 38.000 0.101 0.000 1.055 276 I HN 0.254 nan 8.210 nan 0.000 0.418 277 L N 0.878 122.132 121.223 0.051 0.000 2.042 277 L HA -0.247 4.093 4.340 0.000 0.000 0.210 277 L C 2.092 179.045 176.870 0.139 0.000 1.076 277 L CA 2.007 56.865 54.840 0.030 0.000 0.749 277 L CB -0.756 41.319 42.059 0.026 0.000 0.893 277 L HN 0.218 nan 8.230 nan 0.000 0.432 278 D N -0.518 119.945 120.400 0.107 0.000 2.097 278 D HA -0.185 4.455 4.640 0.000 0.000 0.197 278 D C 1.701 178.022 176.300 0.034 0.000 0.984 278 D CA 1.602 55.651 54.000 0.081 0.000 0.826 278 D CB -0.180 40.637 40.800 0.030 0.000 0.973 278 D HN 0.402 nan 8.370 nan 0.000 0.460 279 D N 0.492 120.906 120.400 0.023 0.000 2.190 279 D HA -0.131 4.509 4.640 0.000 0.000 0.200 279 D C 1.918 178.238 176.300 0.033 0.000 0.992 279 D CA 0.236 54.206 54.000 -0.049 0.000 0.854 279 D CB -0.068 40.808 40.800 0.127 0.000 0.936 279 D HN 0.097 nan 8.370 nan 0.000 0.462 280 L N 0.644 121.973 121.223 0.177 0.000 2.109 280 L HA -0.021 4.319 4.340 0.000 0.000 0.207 280 L C 1.571 178.638 176.870 0.328 0.000 1.086 280 L CA 1.486 56.495 54.840 0.280 0.000 0.760 280 L CB -0.906 41.290 42.059 0.228 0.000 0.910 280 L HN 0.061 nan 8.230 nan 0.000 0.437 281 S N -2.319 113.580 115.700 0.331 0.000 2.786 281 S HA -0.029 4.441 4.470 0.000 0.000 0.223 281 S C 1.295 175.879 174.600 -0.026 0.000 0.956 281 S CA 0.587 58.871 58.200 0.140 0.000 0.961 281 S CB -0.583 62.638 63.200 0.034 0.000 0.784 281 S HN 0.642 nan 8.310 nan 0.000 0.519 282 T N -3.011 111.508 114.554 -0.059 0.000 3.176 282 T HA 0.321 4.671 4.350 0.000 0.000 0.259 282 T C 1.068 175.713 174.700 -0.092 0.000 0.978 282 T CA -0.157 61.842 62.100 -0.169 0.000 1.050 282 T CB -0.665 67.979 68.868 -0.372 0.000 1.136 282 T HN 0.210 nan 8.240 nan 0.000 0.465 283 F N 1.245 121.234 119.950 0.065 0.000 2.407 283 F HA 0.400 4.927 4.527 0.000 0.000 0.299 283 F C 1.822 177.661 175.800 0.065 0.000 1.097 283 F CA -0.311 57.722 58.000 0.056 0.000 1.422 283 F CB -0.494 38.537 39.000 0.052 0.000 1.067 283 F HN 0.156 nan 8.300 nan 0.000 0.539 284 L N 0.055 121.428 121.223 0.249 0.000 2.567 284 L HA 0.096 4.436 4.340 0.000 0.000 0.225 284 L C 0.881 177.825 176.870 0.123 0.000 1.119 284 L CA 0.756 55.718 54.840 0.204 0.000 0.871 284 L CB -0.559 41.657 42.059 0.262 0.000 1.036 284 L HN 0.178 nan 8.230 nan 0.000 0.459 285 E N -1.865 118.383 120.200 0.082 0.000 3.286 285 E HA -0.203 4.147 4.350 0.000 0.000 0.292 285 E C 0.142 176.722 176.600 -0.033 0.000 0.928 285 E CA 0.473 56.888 56.400 0.025 0.000 0.982 285 E CB -2.287 27.442 29.700 0.049 0.000 1.500 285 E HN 0.287 nan 8.360 nan 0.000 0.441 286 V N 0.603 120.460 119.914 -0.095 0.000 3.096 286 V HA 0.256 4.376 4.120 0.000 0.000 0.319 286 V C 0.482 176.422 176.094 -0.257 0.000 1.082 286 V CA -0.467 61.711 62.300 -0.202 0.000 1.022 286 V CB 1.722 33.323 31.823 -0.370 0.000 1.103 286 V HN 0.050 nan 8.190 nan 0.000 0.455 287 D N 2.007 122.251 120.400 -0.259 0.000 2.424 287 D HA 0.167 4.807 4.640 0.000 0.000 0.244 287 D C -1.543 174.553 176.300 -0.339 0.000 1.134 287 D CA -1.397 52.472 54.000 -0.219 0.000 0.881 287 D CB 1.455 42.171 40.800 -0.141 0.000 1.191 287 D HN 0.198 nan 8.370 nan 0.000 0.445 288 P HA -0.135 nan 4.420 nan 0.000 0.225 288 P C 0.810 177.976 177.300 -0.224 0.000 1.148 288 P CA 0.972 63.934 63.100 -0.230 0.000 0.779 288 P CB 0.011 31.679 31.700 -0.053 0.000 0.780 289 H N 0.606 119.526 119.070 -0.250 0.000 2.518 289 H HA 0.071 4.627 4.556 0.000 0.000 0.289 289 H C 1.770 176.962 175.328 -0.226 0.000 1.051 289 H CA 1.209 57.138 56.048 -0.198 0.000 1.280 289 H CB -0.418 29.248 29.762 -0.160 0.000 1.380 289 H HN 0.013 nan 8.280 nan 0.000 0.566 290 A N -0.358 122.201 122.820 -0.435 0.000 2.066 290 A HA -0.032 4.288 4.320 0.000 0.000 0.218 290 A C 1.531 179.013 177.584 -0.171 0.000 1.157 290 A CA 0.729 52.522 52.037 -0.407 0.000 0.670 290 A CB -0.691 17.849 19.000 -0.766 0.000 0.804 290 A HN 0.521 nan 8.150 nan 0.000 0.453 291 F N 0.073 119.946 119.950 -0.128 0.000 2.660 291 F HA 0.078 4.605 4.527 0.000 0.000 0.302 291 F C 2.124 177.864 175.800 -0.100 0.000 1.103 291 F CA -0.051 57.922 58.000 -0.044 0.000 1.340 291 F CB 0.085 39.063 39.000 -0.036 0.000 1.048 291 F HN 0.293 nan 8.300 nan 0.000 0.551 292 R N 0.128 120.536 120.500 -0.153 0.000 2.139 292 R HA -0.220 4.120 4.340 0.000 0.000 0.243 292 R C 1.281 177.422 176.300 -0.264 0.000 1.145 292 R CA 1.825 57.733 56.100 -0.320 0.000 0.976 292 R CB -1.118 28.759 30.300 -0.704 0.000 0.866 292 R HN 0.175 nan 8.270 nan 0.000 0.449 293 F N 1.919 121.878 119.950 0.015 0.000 2.186 293 F HA -0.035 4.492 4.527 0.000 0.000 0.299 293 F C 2.623 178.442 175.800 0.031 0.000 1.090 293 F CA 1.488 59.511 58.000 0.038 0.000 1.307 293 F CB -0.319 38.736 39.000 0.092 0.000 1.019 293 F HN 0.009 nan 8.300 nan 0.000 0.489 294 S N -0.053 115.777 115.700 0.217 0.000 2.345 294 S HA -0.206 4.264 4.470 0.000 0.000 0.220 294 S C 2.012 176.647 174.600 0.059 0.000 1.031 294 S CA 1.183 59.452 58.200 0.114 0.000 0.996 294 S CB -0.511 62.733 63.200 0.073 0.000 0.882 294 S HN 0.213 nan 8.310 nan 0.000 0.445 295 R N 1.668 122.200 120.500 0.053 0.000 2.117 295 R HA -0.123 4.217 4.340 0.000 0.000 0.243 295 R C 2.235 178.525 176.300 -0.018 0.000 1.143 295 R CA 1.438 57.549 56.100 0.018 0.000 0.968 295 R CB -0.623 29.687 30.300 0.017 0.000 0.863 295 R HN 0.418 nan 8.270 nan 0.000 0.444 296 A N -0.835 121.967 122.820 -0.031 0.000 1.898 296 A HA -0.129 4.191 4.320 0.000 0.000 0.216 296 A C 2.141 179.654 177.584 -0.118 0.000 1.181 296 A CA 1.952 53.948 52.037 -0.068 0.000 0.620 296 A CB -0.853 18.112 19.000 -0.057 0.000 0.819 296 A HN 0.460 nan 8.150 nan 0.000 0.442 297 T N 0.434 114.936 114.554 -0.088 0.000 2.708 297 T HA -0.123 4.227 4.350 0.000 0.000 0.266 297 T C 1.714 176.369 174.700 -0.074 0.000 1.037 297 T CA 1.633 63.654 62.100 -0.131 0.000 1.146 297 T CB -0.350 68.505 68.868 -0.021 0.000 0.865 297 T HN 0.223 nan 8.240 nan 0.000 0.435 298 L N 0.983 122.188 121.223 -0.031 0.000 2.083 298 L HA -0.038 4.302 4.340 0.000 0.000 0.209 298 L C 2.824 179.687 176.870 -0.011 0.000 1.083 298 L CA 1.625 56.458 54.840 -0.012 0.000 0.752 298 L CB -1.433 40.622 42.059 -0.007 0.000 0.899 298 L HN 0.242 nan 8.230 nan 0.000 0.433 299 T N -1.404 113.131 114.554 -0.032 0.000 2.821 299 T HA -0.184 4.166 4.350 0.000 0.000 0.267 299 T C 1.836 176.521 174.700 -0.024 0.000 1.046 299 T CA 1.503 63.587 62.100 -0.027 0.000 1.139 299 T CB 0.058 68.904 68.868 -0.036 0.000 0.871 299 T HN 0.428 nan 8.240 nan 0.000 0.454 300 E N -0.775 119.375 120.200 -0.084 0.000 2.216 300 E HA 0.050 4.400 4.350 0.000 0.000 0.192 300 E C 1.144 177.850 176.600 0.176 0.000 0.973 300 E CA 0.342 56.695 56.400 -0.077 0.000 0.851 300 E CB 0.202 29.702 29.700 -0.334 0.000 0.804 300 E HN 0.681 nan 8.360 nan 0.000 0.477 301 Y N -0.535 119.820 120.300 0.091 0.000 2.444 301 Y HA 0.294 4.845 4.550 0.000 0.000 0.252 301 Y C 1.127 177.069 175.900 0.070 0.000 1.091 301 Y CA -0.502 57.673 58.100 0.124 0.000 1.276 301 Y CB 1.548 40.046 38.460 0.064 0.000 1.170 301 Y HN 0.208 nan 8.280 nan 0.000 0.517 302 G N 1.877 110.771 108.800 0.156 0.000 2.584 302 G HA2 -0.308 3.652 3.960 0.000 0.000 0.229 302 G HA3 -0.308 3.652 3.960 0.000 0.000 0.229 302 G C -0.770 174.127 174.900 -0.006 0.000 1.320 302 G CA -0.451 44.678 45.100 0.048 0.000 0.891 302 G HN 0.255 nan 8.290 nan 0.000 0.573 303 N N 1.499 120.120 118.700 -0.131 0.000 2.521 303 N HA 0.334 5.074 4.740 0.000 0.000 0.236 303 N C 1.246 176.739 175.510 -0.030 0.000 1.067 303 N CA -0.100 52.831 53.050 -0.200 0.000 0.939 303 N CB -0.210 37.896 38.487 -0.636 0.000 1.201 303 N HN 0.854 nan 8.380 nan 0.000 0.511 304 I N 1.267 121.830 120.570 -0.012 0.000 3.832 304 I HA 0.344 4.514 4.170 0.000 0.000 0.324 304 I C 1.079 177.198 176.117 0.003 0.000 1.447 304 I CA -0.594 60.727 61.300 0.035 0.000 1.242 304 I CB -0.629 37.382 38.000 0.019 0.000 1.212 304 I HN 0.376 nan 8.210 nan 0.000 0.415 305 A N 2.816 125.678 122.820 0.071 0.000 5.395 305 A HA -0.409 3.911 4.320 0.000 0.000 0.324 305 A C 1.979 179.569 177.584 0.010 0.000 1.813 305 A CA 2.644 54.755 52.037 0.122 0.000 0.714 305 A CB -2.216 16.848 19.000 0.107 0.000 1.374 305 A HN 1.013 nan 8.150 nan 0.000 0.390 306 S N -0.052 115.660 115.700 0.019 0.000 2.440 306 S HA 0.157 4.627 4.470 0.000 0.000 0.238 306 S C 1.802 176.362 174.600 -0.067 0.000 1.010 306 S CA 1.840 60.037 58.200 -0.004 0.000 0.972 306 S CB -0.786 62.399 63.200 -0.025 0.000 0.774 306 S HN 2.200 nan 8.310 nan 0.000 0.501 307 A N 1.005 123.766 122.820 -0.099 0.000 2.167 307 A HA 0.298 4.618 4.320 0.000 0.000 0.214 307 A C 2.162 179.677 177.584 -0.114 0.000 1.151 307 A CA 0.753 52.729 52.037 -0.101 0.000 0.735 307 A CB -0.690 18.254 19.000 -0.094 0.000 0.802 307 A HN 0.427 nan 8.150 nan 0.000 0.467 308 V N 0.508 120.284 119.914 -0.231 0.000 2.287 308 V HA -0.301 3.820 4.120 0.000 0.000 0.248 308 V C 2.763 178.771 176.094 -0.143 0.000 1.053 308 V CA 2.312 64.434 62.300 -0.297 0.000 1.027 308 V CB -1.175 30.128 31.823 -0.865 0.000 0.646 308 V HN 0.590 nan 8.190 nan 0.000 0.447 309 V N -1.914 117.941 119.914 -0.098 0.000 2.332 309 V HA -0.218 3.902 4.120 0.000 0.000 0.248 309 V C 2.329 178.423 176.094 -0.001 0.000 1.055 309 V CA 1.767 64.056 62.300 -0.019 0.000 1.038 309 V CB -0.988 30.833 31.823 -0.004 0.000 0.651 309 V HN 0.362 nan 8.190 nan 0.000 0.450 310 L N 1.243 122.454 121.223 -0.020 0.000 2.017 310 L HA -0.121 4.219 4.340 0.000 0.000 0.208 310 L C 2.568 179.430 176.870 -0.013 0.000 1.073 310 L CA 2.405 57.232 54.840 -0.023 0.000 0.745 310 L CB -1.333 40.698 42.059 -0.047 0.000 0.894 310 L HN 0.529 nan 8.230 nan 0.000 0.432 311 D N -0.555 119.849 120.400 0.006 0.000 2.219 311 D HA -0.154 4.486 4.640 0.000 0.000 0.205 311 D C 1.963 178.306 176.300 0.072 0.000 0.970 311 D CA 1.069 55.102 54.000 0.055 0.000 0.851 311 D CB 0.535 41.412 40.800 0.129 0.000 0.943 311 D HN 0.310 nan 8.370 nan 0.000 0.488 312 A N 0.995 123.855 122.820 0.067 0.000 1.898 312 A HA -0.063 4.257 4.320 0.000 0.000 0.216 312 A C 2.498 180.148 177.584 0.111 0.000 1.181 312 A CA 0.512 52.621 52.037 0.121 0.000 0.620 312 A CB -0.733 18.334 19.000 0.111 0.000 0.819 312 A HN 0.311 nan 8.150 nan 0.000 0.442 313 L N -0.926 120.360 121.223 0.104 0.000 2.046 313 L HA -0.181 4.159 4.340 0.000 0.000 0.208 313 L C 2.854 179.834 176.870 0.183 0.000 1.077 313 L CA 1.541 56.501 54.840 0.200 0.000 0.747 313 L CB -0.412 41.775 42.059 0.213 0.000 0.896 313 L HN 0.478 nan 8.230 nan 0.000 0.432 314 R N 0.011 120.513 120.500 0.004 0.000 2.103 314 R HA -0.204 4.136 4.340 0.000 0.000 0.242 314 R C 2.389 178.759 176.300 0.118 0.000 1.142 314 R CA 1.383 57.455 56.100 -0.047 0.000 0.960 314 R CB -0.093 30.187 30.300 -0.033 0.000 0.858 314 R HN 0.321 nan 8.270 nan 0.000 0.439 315 R N 0.605 121.186 120.500 0.136 0.000 2.094 315 R HA -0.192 4.148 4.340 0.000 0.000 0.239 315 R C 2.380 178.768 176.300 0.147 0.000 1.137 315 R CA 1.312 57.546 56.100 0.225 0.000 0.943 315 R CB -1.165 29.396 30.300 0.435 0.000 0.850 315 R HN 0.261 nan 8.270 nan 0.000 0.433 316 L N 0.662 121.707 121.223 -0.298 0.000 1.990 316 L HA -0.174 4.166 4.340 0.000 0.000 0.213 316 L C 2.171 178.997 176.870 -0.073 0.000 1.072 316 L CA 1.731 56.208 54.840 -0.604 0.000 0.755 316 L CB -0.793 40.886 42.059 -0.633 0.000 0.889 316 L HN -0.054 nan 8.230 nan 0.000 0.432 317 F N 0.696 120.617 119.950 -0.048 0.000 2.027 317 F HA -0.309 4.218 4.527 0.000 0.000 0.297 317 F C 2.374 178.190 175.800 0.026 0.000 1.129 317 F CA 2.110 60.151 58.000 0.068 0.000 1.195 317 F CB -1.369 37.716 39.000 0.141 0.000 0.960 317 F HN 0.196 nan 8.300 nan 0.000 0.485 318 D N -0.473 120.090 120.400 0.272 0.000 2.220 318 D HA -0.232 4.408 4.640 0.000 0.000 0.198 318 D C 2.051 178.421 176.300 0.118 0.000 1.001 318 D CA 1.734 55.836 54.000 0.168 0.000 0.875 318 D CB -0.372 40.518 40.800 0.150 0.000 0.921 318 D HN 0.664 nan 8.370 nan 0.000 0.454 319 E N -0.436 119.834 120.200 0.116 0.000 2.364 319 E HA 0.176 4.526 4.350 0.000 0.000 0.196 319 E C 1.463 178.064 176.600 0.001 0.000 0.990 319 E CA 0.622 57.075 56.400 0.090 0.000 0.886 319 E CB 0.121 29.934 29.700 0.188 0.000 0.866 319 E HN 0.110 nan 8.360 nan 0.000 0.493 320 G N 0.977 109.726 108.800 -0.084 0.000 2.582 320 G HA2 -0.347 3.614 3.960 0.000 0.000 0.288 320 G HA3 -0.347 3.614 3.960 0.000 0.000 0.288 320 G C 1.049 175.798 174.900 -0.250 0.000 1.247 320 G CA 0.774 45.745 45.100 -0.216 0.000 0.972 320 G HN 1.268 nan 8.290 nan 0.000 0.557 321 G N -2.730 105.938 108.800 -0.219 0.000 2.196 321 G HA2 0.011 3.971 3.960 0.000 0.000 0.268 321 G HA3 0.011 3.971 3.960 0.000 0.000 0.268 321 G C 0.672 175.400 174.900 -0.287 0.000 0.975 321 G CA 1.268 46.256 45.100 -0.187 0.000 0.648 321 G HN 1.937 nan 8.290 nan 0.000 0.538 322 V N 0.671 120.270 119.914 -0.524 0.000 2.637 322 V HA 0.348 4.468 4.120 0.000 0.000 0.296 322 V C 0.657 176.434 176.094 -0.528 0.000 1.046 322 V CA -0.256 61.599 62.300 -0.741 0.000 1.066 322 V CB 1.139 31.954 31.823 -1.681 0.000 0.968 322 V HN 0.389 nan 8.190 nan 0.000 0.483 323 E N 3.204 123.193 120.200 -0.351 0.000 2.220 323 E HA 0.084 4.434 4.350 0.000 0.000 0.272 323 E C 0.330 176.857 176.600 -0.123 0.000 1.099 323 E CA -0.056 56.231 56.400 -0.188 0.000 0.907 323 E CB 0.064 29.690 29.700 -0.123 0.000 1.022 323 E HN 0.442 nan 8.360 nan 0.000 0.428 324 E N 2.488 122.658 120.200 -0.050 0.000 1.855 324 E HA 0.031 4.381 4.350 0.000 0.000 0.259 324 E C 0.522 177.159 176.600 0.061 0.000 1.229 324 E CA 0.437 56.893 56.400 0.094 0.000 1.042 324 E CB -0.537 29.212 29.700 0.081 0.000 1.079 324 E HN 0.822 nan 8.360 nan 0.000 0.434 325 G N 2.077 110.918 108.800 0.069 0.000 3.254 325 G HA2 -0.123 3.837 3.960 0.000 0.000 0.219 325 G HA3 -0.123 3.837 3.960 0.000 0.000 0.219 325 G C 0.312 175.198 174.900 -0.025 0.000 0.964 325 G CA -0.142 44.974 45.100 0.027 0.000 0.823 325 G HN 0.624 nan 8.290 nan 0.000 0.579 326 A N 1.031 123.830 122.820 -0.034 0.000 2.520 326 A HA 0.681 5.001 4.320 0.000 0.000 0.245 326 A C 1.093 178.628 177.584 -0.082 0.000 1.072 326 A CA 1.371 53.358 52.037 -0.083 0.000 0.761 326 A CB -0.152 18.794 19.000 -0.090 0.000 1.004 326 A HN 1.823 nan 8.150 nan 0.000 0.499 327 R N 1.203 121.557 120.500 -0.244 0.000 2.784 327 R HA 0.527 4.867 4.340 0.000 0.000 0.266 327 R C 0.603 177.003 176.300 0.167 0.000 1.044 327 R CA 0.359 56.210 56.100 -0.415 0.000 1.151 327 R CB -0.158 29.638 30.300 -0.839 0.000 1.037 327 R HN 2.368 nan 8.270 nan 0.000 0.478 328 G N -1.004 108.029 108.800 0.388 0.000 2.677 328 G HA2 0.572 4.532 3.960 0.000 0.000 0.291 328 G HA3 0.572 4.532 3.960 0.000 0.000 0.291 328 G C -1.978 172.938 174.900 0.026 0.000 1.435 328 G CA -0.342 45.029 45.100 0.452 0.000 0.826 328 G HN 1.062 nan 8.290 nan 0.000 0.491 329 L N -0.033 120.914 121.223 -0.461 0.000 2.464 329 L HA 0.813 5.153 4.340 0.000 0.000 0.266 329 L C -1.421 175.224 176.870 -0.375 0.000 0.965 329 L CA -0.696 53.943 54.840 -0.335 0.000 0.833 329 L CB 1.880 43.714 42.059 -0.375 0.000 1.296 329 L HN 0.483 nan 8.230 nan 0.000 0.405 330 L N 4.963 126.075 121.223 -0.184 0.000 2.381 330 L HA 0.978 5.318 4.340 0.000 0.000 0.274 330 L C -0.666 176.151 176.870 -0.088 0.000 0.988 330 L CA -0.605 54.159 54.840 -0.128 0.000 0.824 330 L CB 1.854 43.886 42.059 -0.045 0.000 1.263 330 L HN 0.822 nan 8.230 nan 0.000 0.410 331 A N 2.021 124.763 122.820 -0.129 0.000 2.547 331 A HA 0.886 5.206 4.320 0.000 0.000 0.297 331 A C -0.733 176.660 177.584 -0.317 0.000 1.056 331 A CA -0.333 51.602 52.037 -0.170 0.000 0.688 331 A CB 1.960 20.860 19.000 -0.167 0.000 1.282 331 A HN 0.721 nan 8.150 nan 0.000 0.400 332 G N 0.164 108.835 108.800 -0.215 0.000 2.542 332 G HA2 0.686 4.646 3.960 0.000 0.000 0.311 332 G HA3 0.686 4.646 3.960 0.000 0.000 0.311 332 G C -1.135 173.775 174.900 0.016 0.000 1.298 332 G CA -0.534 44.458 45.100 -0.179 0.000 0.973 332 G HN 0.519 nan 8.290 nan 0.000 0.487 333 F N 0.838 120.734 119.950 -0.090 0.000 2.529 333 F HA 0.740 5.267 4.527 0.000 0.000 0.320 333 F C 0.753 176.518 175.800 -0.059 0.000 1.118 333 F CA -0.703 57.253 58.000 -0.073 0.000 0.915 333 F CB 2.936 41.879 39.000 -0.096 0.000 1.161 333 F HN 0.831 nan 8.300 nan 0.000 0.445 334 G N 1.899 110.814 108.800 0.191 0.000 2.650 334 G HA2 0.448 4.408 3.960 0.000 0.000 0.310 334 G HA3 0.448 4.408 3.960 0.000 0.000 0.310 334 G C -3.234 171.723 174.900 0.096 0.000 1.270 334 G CA -1.120 44.063 45.100 0.138 0.000 0.810 334 G HN 0.206 nan 8.290 nan 0.000 0.493 335 P HA 0.187 nan 4.420 nan 0.000 0.259 335 P C 0.640 177.943 177.300 0.004 0.000 1.163 335 P CA 1.846 64.967 63.100 0.035 0.000 0.760 335 P CB 1.017 32.716 31.700 -0.003 0.000 0.762 336 G N 3.583 112.371 108.800 -0.020 0.000 4.399 336 G HA2 -0.082 3.878 3.960 0.000 0.000 0.158 336 G HA3 -0.082 3.878 3.960 0.000 0.000 0.158 336 G C -0.149 174.676 174.900 -0.124 0.000 1.911 336 G CA -0.438 44.623 45.100 -0.065 0.000 0.926 336 G HN 0.457 nan 8.290 nan 0.000 0.292 337 I N 3.260 123.736 120.570 -0.157 0.000 2.533 337 I HA 0.335 4.505 4.170 0.000 0.000 0.284 337 I C 0.257 176.320 176.117 -0.090 0.000 1.109 337 I CA 0.374 61.620 61.300 -0.091 0.000 1.412 337 I CB 1.235 39.171 38.000 -0.106 0.000 1.396 337 I HN 0.149 nan 8.210 nan 0.000 0.543 338 T N 5.308 119.845 114.554 -0.028 0.000 2.945 338 T HA 0.692 5.042 4.350 0.000 0.000 0.286 338 T C -0.231 174.515 174.700 0.076 0.000 1.025 338 T CA -0.671 61.427 62.100 -0.003 0.000 1.039 338 T CB 1.843 70.720 68.868 0.014 0.000 1.068 338 T HN 0.694 nan 8.240 nan 0.000 0.497 339 A N 2.072 124.963 122.820 0.118 0.000 2.499 339 A HA 0.578 4.898 4.320 0.000 0.000 0.280 339 A C -0.663 177.059 177.584 0.229 0.000 1.135 339 A CA -0.751 51.449 52.037 0.272 0.000 0.744 339 A CB 0.801 19.882 19.000 0.136 0.000 1.213 339 A HN 0.591 nan 8.150 nan 0.000 0.434 340 E N 2.860 123.183 120.200 0.205 0.000 2.115 340 E HA 0.481 4.831 4.350 0.000 0.000 0.282 340 E C -0.435 176.225 176.600 0.101 0.000 0.987 340 E CA 0.119 56.587 56.400 0.114 0.000 0.797 340 E CB 1.260 31.004 29.700 0.074 0.000 1.086 340 E HN 0.741 nan 8.360 nan 0.000 0.397 341 M N 0.941 120.588 119.600 0.078 0.000 2.644 341 M HA 0.440 4.920 4.480 0.000 0.000 0.316 341 M C 0.051 176.348 176.300 -0.005 0.000 1.200 341 M CA -0.809 54.519 55.300 0.046 0.000 0.944 341 M CB 2.086 34.727 32.600 0.068 0.000 1.691 341 M HN 0.186 nan 8.290 nan 0.000 0.471 342 S N 1.678 117.365 115.700 -0.021 0.000 2.626 342 S HA 0.617 5.087 4.470 0.000 0.000 0.275 342 S C -1.557 173.020 174.600 -0.038 0.000 1.175 342 S CA -0.755 57.427 58.200 -0.030 0.000 0.982 342 S CB 0.809 64.020 63.200 0.018 0.000 1.093 342 S HN 0.659 nan 8.310 nan 0.000 0.472 343 L N 3.881 125.045 121.223 -0.098 0.000 2.309 343 L HA 0.925 5.265 4.340 0.000 0.000 0.282 343 L C 0.717 177.570 176.870 -0.029 0.000 1.036 343 L CA -0.564 54.206 54.840 -0.115 0.000 0.806 343 L CB 1.717 43.510 42.059 -0.443 0.000 1.220 343 L HN 0.828 nan 8.230 nan 0.000 0.429 344 G N 1.227 110.205 108.800 0.296 0.000 2.579 344 G HA2 0.440 4.401 3.960 0.000 0.000 0.292 344 G HA3 0.440 4.401 3.960 0.000 0.000 0.292 344 G C -1.816 173.413 174.900 0.548 0.000 1.484 344 G CA -0.464 44.869 45.100 0.388 0.000 0.813 344 G HN 0.588 nan 8.290 nan 0.000 0.515 345 C N 1.024 120.582 119.300 0.429 0.000 2.365 345 C HA 0.663 5.123 4.460 0.000 0.000 0.349 345 C C 0.719 175.782 174.990 0.121 0.000 1.191 345 C CA -0.695 58.475 59.018 0.255 0.000 2.114 345 C CB 1.172 29.042 27.740 0.216 0.000 2.367 345 C HN 0.674 nan 8.230 nan 0.000 0.530 346 W N 2.027 123.243 121.300 -0.140 0.000 2.034 346 W HA 0.369 5.029 4.660 0.000 0.000 0.357 346 W C -0.135 176.306 176.519 -0.130 0.000 1.326 346 W CA 0.488 57.691 57.345 -0.238 0.000 1.318 346 W CB 0.484 29.723 29.460 -0.369 0.000 1.193 346 W HN 0.687 nan 8.180 nan 0.000 0.620 347 Q N 1.555 121.032 119.800 -0.539 0.000 2.594 347 Q HA 0.260 4.600 4.340 0.000 0.000 0.278 347 Q C -1.721 174.140 176.000 -0.231 0.000 0.961 347 Q CA -0.380 55.287 55.803 -0.226 0.000 0.844 347 Q CB 1.624 30.245 28.738 -0.195 0.000 1.475 347 Q HN 0.355 nan 8.270 nan 0.000 0.389 348 T N 0.918 115.443 114.554 -0.048 0.000 2.916 348 T HA 0.833 5.183 4.350 0.000 0.000 0.292 348 T C -0.565 174.125 174.700 -0.017 0.000 1.055 348 T CA -0.180 61.915 62.100 -0.008 0.000 1.009 348 T CB 1.604 70.506 68.868 0.058 0.000 1.118 348 T HN 0.711 nan 8.240 nan 0.000 0.497 349 A N 0.000 122.815 122.820 -0.009 0.000 2.254 349 A HA 0.000 4.320 4.320 0.000 0.000 0.244 349 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 349 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 349 A HN 0.000 nan 8.150 nan 0.000 0.486