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 1n95_1_B DATA FIRST_RESID 23 DATA SEQUENCE LYSLRPEHAR ERLQDDSVET VTSIEQAKVE EKIQEVFSSY KFNHLVPRLV DATA SEQUENCE LQREKHFHYL KRGLRQLTDA YECLDASRPW LCYWILHSLE LLDEPIPQIV DATA SEQUENCE ATDVCQFLEL CQSPDGGFGG GPGQYPHLAP TYAAVNALCI IGTEEAYNVI DATA SEQUENCE NREKLLQYLY SLKQPDGSFL MHVGGEVDVR SAYCAASVAS LTNIITPDLF DATA SEQUENCE EGTAEWIARC QNWEGGIGGV PGMEAHGGYT FCGLAALVIL KKERSLNLKS DATA SEQUENCE LLQWVTSRQM RFEGGFQGRC NKLVDGCYSF WQAGLLPLLH RALHAQGDPA DATA SEQUENCE LSMSHWMFHQ QALQEYILMC CQCPAGGLLD KPGKSRDFYH TCYCLSGLSI DATA SEQUENCE AQHFGSGAML HDVVMGVPEN VLQPTHPVYN IGPDKVIQAT THFLQKPVPG DATA SEQUENCE F 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 23 L HA 0.000 nan 4.340 nan 0.000 0.249 23 L C 0.000 176.763 176.870 -0.179 0.000 1.165 23 L CA 0.000 54.741 54.840 -0.165 0.000 0.813 23 L CB 0.000 41.903 42.059 -0.260 0.000 0.961 24 Y N 1.998 122.155 120.300 -0.238 0.000 2.139 24 Y HA -0.290 4.260 4.550 -0.000 0.000 0.282 24 Y C 2.108 177.727 175.900 -0.468 0.000 1.179 24 Y CA 2.572 60.521 58.100 -0.252 0.000 1.161 24 Y CB 0.139 38.481 38.460 -0.196 0.000 0.970 24 Y HN 0.650 nan 8.280 nan 0.000 0.511 25 S N 0.254 115.500 115.700 -0.756 0.000 2.368 25 S HA -0.106 4.364 4.470 -0.000 0.000 0.224 25 S C 1.837 175.689 174.600 -1.246 0.000 1.029 25 S CA 1.454 58.778 58.200 -1.461 0.000 0.988 25 S CB -0.482 61.743 63.200 -1.625 0.000 0.838 25 S HN 0.477 nan 8.310 nan 0.000 0.462 26 L N 0.951 121.732 121.223 -0.737 0.000 2.610 26 L HA 0.111 4.451 4.340 -0.000 0.000 0.232 26 L C 0.877 177.585 176.870 -0.270 0.000 1.149 26 L CA 0.185 54.772 54.840 -0.422 0.000 0.872 26 L CB -0.423 41.469 42.059 -0.278 0.000 0.992 26 L HN 0.097 nan 8.230 nan 0.000 0.447 27 R N 0.700 121.008 120.500 -0.320 0.000 2.738 27 R HA 0.063 4.403 4.340 -0.000 0.000 0.268 27 R C -1.335 174.902 176.300 -0.106 0.000 1.062 27 R CA -1.269 54.721 56.100 -0.185 0.000 1.158 27 R CB 0.135 30.317 30.300 -0.196 0.000 1.046 27 R HN -0.161 nan 8.270 nan 0.000 0.493 28 P HA -0.117 nan 4.420 nan 0.000 0.224 28 P C 0.507 177.811 177.300 0.006 0.000 1.157 28 P CA 0.884 63.984 63.100 0.000 0.000 0.799 28 P CB 0.252 31.956 31.700 0.006 0.000 0.809 29 E N -0.870 119.320 120.200 -0.017 0.000 2.299 29 E HA -0.194 4.155 4.350 -0.000 0.000 0.193 29 E C 1.746 178.327 176.600 -0.031 0.000 0.998 29 E CA 0.781 57.172 56.400 -0.014 0.000 0.851 29 E CB -1.354 28.337 29.700 -0.015 0.000 0.795 29 E HN 0.430 nan 8.360 nan 0.000 0.492 30 H N 1.612 120.564 119.070 -0.198 0.000 2.489 30 H HA 0.106 4.662 4.556 -0.000 0.000 0.293 30 H C 1.494 176.739 175.328 -0.140 0.000 1.066 30 H CA 1.278 57.145 56.048 -0.302 0.000 1.305 30 H CB 0.174 29.608 29.762 -0.548 0.000 1.386 30 H HN 0.225 nan 8.280 nan 0.000 0.551 31 A N 0.885 123.720 122.820 0.026 0.000 2.209 31 A HA -0.053 4.267 4.320 -0.000 0.000 0.212 31 A C 2.346 179.996 177.584 0.109 0.000 1.158 31 A CA 0.465 52.596 52.037 0.156 0.000 0.742 31 A CB -0.352 18.750 19.000 0.169 0.000 0.790 31 A HN 0.407 nan 8.150 nan 0.000 0.472 32 R N -0.256 120.255 120.500 0.018 0.000 2.297 32 R HA 0.075 4.415 4.340 -0.000 0.000 0.197 32 R C 0.765 177.069 176.300 0.006 0.000 0.943 32 R CA 0.395 56.504 56.100 0.015 0.000 1.038 32 R CB 0.143 30.444 30.300 0.001 0.000 0.957 32 R HN 0.338 nan 8.270 nan 0.000 0.484 33 E N 0.962 121.144 120.200 -0.030 0.000 2.502 33 E HA -0.021 4.329 4.350 -0.000 0.000 0.194 33 E C 0.155 176.852 176.600 0.161 0.000 1.062 33 E CA 0.097 56.490 56.400 -0.012 0.000 0.867 33 E CB 0.048 29.608 29.700 -0.234 0.000 0.888 33 E HN 0.054 nan 8.360 nan 0.000 0.510 34 R N 0.958 121.560 120.500 0.169 0.000 2.784 34 R HA 0.040 4.380 4.340 -0.000 0.000 0.266 34 R C -0.055 176.194 176.300 -0.085 0.000 1.044 34 R CA -0.359 55.700 56.100 -0.069 0.000 1.151 34 R CB 0.165 30.405 30.300 -0.099 0.000 1.037 34 R HN -0.016 nan 8.270 nan 0.000 0.478 35 L N 3.215 124.344 121.223 -0.157 0.000 2.513 35 L HA 0.073 4.413 4.340 -0.000 0.000 0.272 35 L C -0.636 176.195 176.870 -0.066 0.000 1.187 35 L CA 0.814 55.595 54.840 -0.098 0.000 0.895 35 L CB 0.661 42.651 42.059 -0.115 0.000 1.147 35 L HN 0.513 nan 8.230 nan 0.000 0.483 36 Q N 4.164 123.940 119.800 -0.040 0.000 2.406 36 Q HA 0.055 4.395 4.340 -0.000 0.000 0.242 36 Q C 0.146 176.130 176.000 -0.026 0.000 1.036 36 Q CA -0.114 55.673 55.803 -0.027 0.000 0.904 36 Q CB 1.014 29.743 28.738 -0.015 0.000 1.244 36 Q HN 0.755 nan 8.270 nan 0.000 0.478 37 D N 2.756 123.138 120.400 -0.029 0.000 2.269 37 D HA -0.154 4.486 4.640 -0.000 0.000 0.208 37 D C -0.155 176.136 176.300 -0.015 0.000 0.963 37 D CA 0.779 54.764 54.000 -0.025 0.000 0.864 37 D CB 0.406 41.189 40.800 -0.028 0.000 0.936 37 D HN 0.477 nan 8.370 nan 0.000 0.505 38 D N -1.484 118.909 120.400 -0.012 0.000 3.028 38 D HA -0.220 4.420 4.640 -0.000 0.000 0.207 38 D C 0.428 176.724 176.300 -0.007 0.000 1.100 38 D CA 1.091 55.087 54.000 -0.007 0.000 0.995 38 D CB -1.491 39.307 40.800 -0.004 0.000 1.108 38 D HN 0.274 nan 8.370 nan 0.000 0.421 39 S N -2.825 112.869 115.700 -0.010 0.000 2.981 39 S HA -0.242 4.228 4.470 -0.000 0.000 0.274 39 S C 0.418 175.014 174.600 -0.008 0.000 1.297 39 S CA 1.050 59.244 58.200 -0.009 0.000 1.266 39 S CB -0.820 62.376 63.200 -0.007 0.000 1.542 39 S HN 0.335 nan 8.310 nan 0.000 0.674 40 V N 3.315 123.225 119.914 -0.007 0.000 2.240 40 V HA 0.232 4.352 4.120 -0.000 0.000 0.265 40 V C 0.481 176.571 176.094 -0.007 0.000 1.073 40 V CA -0.427 61.870 62.300 -0.005 0.000 0.857 40 V CB 0.488 32.309 31.823 -0.002 0.000 1.114 40 V HN 0.483 nan 8.190 nan 0.000 0.469 41 E N 2.681 122.876 120.200 -0.008 0.000 2.229 41 E HA 0.549 4.899 4.350 -0.000 0.000 0.283 41 E C -0.049 176.547 176.600 -0.007 0.000 1.030 41 E CA -0.493 55.901 56.400 -0.011 0.000 0.836 41 E CB 1.457 31.149 29.700 -0.014 0.000 1.068 41 E HN 0.553 nan 8.360 nan 0.000 0.401 42 T N -1.299 113.251 114.554 -0.007 0.000 2.888 42 T HA 0.212 4.562 4.350 -0.000 0.000 0.288 42 T C 1.152 175.849 174.700 -0.004 0.000 1.063 42 T CA -0.728 61.371 62.100 -0.003 0.000 1.010 42 T CB 1.160 70.029 68.868 0.002 0.000 1.214 42 T HN 0.208 nan 8.240 nan 0.000 0.533 43 V N 1.088 121.002 119.914 -0.000 0.000 2.527 43 V HA -0.202 3.918 4.120 -0.000 0.000 0.255 43 V C 2.757 178.849 176.094 -0.003 0.000 1.081 43 V CA 2.582 64.881 62.300 -0.001 0.000 1.092 43 V CB -1.633 30.192 31.823 0.005 0.000 0.673 43 V HN 1.078 nan 8.190 nan 0.000 0.470 44 T N -0.314 114.240 114.554 -0.001 0.000 2.851 44 T HA -0.112 4.238 4.350 -0.000 0.000 0.262 44 T C 2.111 176.802 174.700 -0.015 0.000 1.043 44 T CA 1.493 63.591 62.100 -0.004 0.000 1.140 44 T CB -0.218 68.651 68.868 0.002 0.000 0.872 44 T HN 0.606 nan 8.240 nan 0.000 0.446 45 S N 1.996 117.686 115.700 -0.017 0.000 2.351 45 S HA -0.066 4.404 4.470 -0.000 0.000 0.220 45 S C 2.061 176.640 174.600 -0.035 0.000 1.035 45 S CA 1.063 59.246 58.200 -0.028 0.000 1.031 45 S CB -0.654 62.532 63.200 -0.024 0.000 0.928 45 S HN 0.389 nan 8.310 nan 0.000 0.433 46 I N 1.977 122.531 120.570 -0.027 0.000 2.091 46 I HA -0.269 3.901 4.170 -0.000 0.000 0.240 46 I C 2.764 178.861 176.117 -0.033 0.000 1.046 46 I CA 1.521 62.804 61.300 -0.029 0.000 1.306 46 I CB -0.492 37.496 38.000 -0.020 0.000 1.018 46 I HN 0.221 nan 8.210 nan 0.000 0.404 47 E N 0.206 120.391 120.200 -0.026 0.000 2.077 47 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 47 E C 2.004 178.582 176.600 -0.036 0.000 0.989 47 E CA 1.274 57.659 56.400 -0.025 0.000 0.800 47 E CB -0.426 29.266 29.700 -0.014 0.000 0.746 47 E HN 0.454 nan 8.360 nan 0.000 0.452 48 Q N 0.978 120.753 119.800 -0.042 0.000 2.050 48 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 48 Q C 1.999 177.947 176.000 -0.086 0.000 0.980 48 Q CA 2.147 57.916 55.803 -0.057 0.000 0.840 48 Q CB -0.598 28.106 28.738 -0.057 0.000 0.898 48 Q HN 0.201 nan 8.270 nan 0.000 0.424 49 A N 0.357 123.123 122.820 -0.089 0.000 2.024 49 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 49 A C 1.966 179.484 177.584 -0.109 0.000 1.164 49 A CA 1.703 53.670 52.037 -0.117 0.000 0.643 49 A CB -0.439 18.505 19.000 -0.092 0.000 0.806 49 A HN 0.416 nan 8.150 nan 0.000 0.451 50 K N -0.590 119.764 120.400 -0.077 0.000 2.062 50 K HA -0.029 4.291 4.320 -0.000 0.000 0.205 50 K C 1.880 178.438 176.600 -0.069 0.000 1.051 50 K CA 1.320 57.568 56.287 -0.065 0.000 0.941 50 K CB -0.300 32.174 32.500 -0.044 0.000 0.719 50 K HN 0.316 nan 8.250 nan 0.000 0.440 51 V N 1.961 121.838 119.914 -0.062 0.000 2.358 51 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 51 V C 1.989 178.039 176.094 -0.074 0.000 1.047 51 V CA 1.721 63.992 62.300 -0.047 0.000 1.035 51 V CB -0.468 31.344 31.823 -0.019 0.000 0.658 51 V HN 0.326 nan 8.190 nan 0.000 0.452 52 E N -0.325 119.794 120.200 -0.135 0.000 2.097 52 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 52 E C 2.354 178.823 176.600 -0.219 0.000 1.000 52 E CA 1.340 57.582 56.400 -0.265 0.000 0.804 52 E CB -0.125 29.271 29.700 -0.505 0.000 0.740 52 E HN 0.528 nan 8.360 nan 0.000 0.454 53 E N 0.870 120.972 120.200 -0.163 0.000 2.047 53 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 53 E C 1.901 178.447 176.600 -0.090 0.000 0.987 53 E CA 1.015 57.349 56.400 -0.110 0.000 0.799 53 E CB -0.021 29.629 29.700 -0.085 0.000 0.752 53 E HN 0.247 nan 8.360 nan 0.000 0.449 54 K N 0.317 120.663 120.400 -0.089 0.000 2.147 54 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 54 K C 2.063 178.584 176.600 -0.132 0.000 1.049 54 K CA 0.841 57.071 56.287 -0.095 0.000 0.936 54 K CB 0.064 32.519 32.500 -0.075 0.000 0.722 54 K HN 0.101 nan 8.250 nan 0.000 0.446 55 I N 1.149 121.636 120.570 -0.138 0.000 2.333 55 I HA -0.155 4.015 4.170 -0.000 0.000 0.246 55 I C 2.507 178.395 176.117 -0.381 0.000 1.106 55 I CA 1.169 62.301 61.300 -0.280 0.000 1.411 55 I CB -0.949 36.935 38.000 -0.193 0.000 1.082 55 I HN 0.165 nan 8.210 nan 0.000 0.420 56 Q N 1.806 121.561 119.800 -0.075 0.000 2.045 56 Q HA -0.240 4.100 4.340 -0.000 0.000 0.206 56 Q C 2.018 178.004 176.000 -0.023 0.000 0.991 56 Q CA 2.022 57.892 55.803 0.112 0.000 0.851 56 Q CB -0.263 28.574 28.738 0.165 0.000 0.911 56 Q HN 0.481 nan 8.270 nan 0.000 0.418 57 E N -0.950 119.178 120.200 -0.119 0.000 2.068 57 E HA -0.244 4.106 4.350 -0.000 0.000 0.207 57 E C 1.978 178.436 176.600 -0.238 0.000 1.032 57 E CA 1.928 58.194 56.400 -0.222 0.000 0.839 57 E CB -0.349 29.233 29.700 -0.198 0.000 0.758 57 E HN 0.232 nan 8.360 nan 0.000 0.457 58 V N 0.980 120.771 119.914 -0.206 0.000 2.282 58 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 58 V C 2.048 178.151 176.094 0.014 0.000 1.057 58 V CA 1.916 64.116 62.300 -0.166 0.000 1.032 58 V CB -0.676 31.039 31.823 -0.180 0.000 0.645 58 V HN 0.288 nan 8.190 nan 0.000 0.447 59 F N 0.511 120.443 119.950 -0.029 0.000 2.026 59 F HA -0.213 4.314 4.527 -0.000 0.000 0.296 59 F C 2.619 178.446 175.800 0.045 0.000 1.133 59 F CA 1.411 59.437 58.000 0.044 0.000 1.188 59 F CB -0.462 38.547 39.000 0.015 0.000 0.968 59 F HN 0.102 nan 8.300 nan 0.000 0.476 60 S N -0.248 115.532 115.700 0.133 0.000 2.584 60 S HA -0.165 4.305 4.470 -0.000 0.000 0.240 60 S C 1.901 176.340 174.600 -0.269 0.000 0.975 60 S CA 0.732 58.912 58.200 -0.033 0.000 0.949 60 S CB -0.383 62.706 63.200 -0.185 0.000 0.761 60 S HN 0.347 nan 8.310 nan 0.000 0.536 61 S N 1.187 116.664 115.700 -0.372 0.000 2.381 61 S HA -0.245 4.225 4.470 -0.000 0.000 0.230 61 S C 1.543 175.834 174.600 -0.514 0.000 1.052 61 S CA 1.678 59.536 58.200 -0.570 0.000 1.068 61 S CB -0.458 62.290 63.200 -0.754 0.000 0.918 61 S HN 0.666 nan 8.310 nan 0.000 0.448 62 Y N 1.710 121.986 120.300 -0.041 0.000 2.089 62 Y HA -0.060 4.490 4.550 -0.000 0.000 0.282 62 Y C 2.576 178.478 175.900 0.002 0.000 1.139 62 Y CA 1.618 59.710 58.100 -0.014 0.000 1.123 62 Y CB -0.647 37.809 38.460 -0.006 0.000 0.980 62 Y HN 0.216 nan 8.280 nan 0.000 0.493 63 K N -0.296 120.234 120.400 0.218 0.000 2.015 63 K HA -0.226 4.094 4.320 -0.000 0.000 0.216 63 K C 1.822 178.471 176.600 0.082 0.000 1.052 63 K CA 2.219 58.626 56.287 0.200 0.000 0.937 63 K CB -0.734 31.948 32.500 0.303 0.000 0.719 63 K HN 0.146 nan 8.250 nan 0.000 0.446 64 F N 1.679 121.513 119.950 -0.195 0.000 2.161 64 F HA -0.161 4.365 4.527 -0.000 0.000 0.300 64 F C 1.961 177.445 175.800 -0.526 0.000 1.089 64 F CA 1.062 58.897 58.000 -0.275 0.000 1.282 64 F CB -0.590 38.322 39.000 -0.146 0.000 1.010 64 F HN 0.134 nan 8.300 nan 0.000 0.485 65 N N -1.237 117.336 118.700 -0.213 0.000 2.373 65 N HA -0.051 4.688 4.740 -0.000 0.000 0.181 65 N C -0.447 174.960 175.510 -0.171 0.000 1.082 65 N CA 0.497 53.426 53.050 -0.202 0.000 0.885 65 N CB -0.341 38.105 38.487 -0.070 0.000 0.977 65 N HN 0.429 nan 8.380 nan 0.000 0.462 66 H N -0.682 118.450 119.070 0.102 0.000 2.882 66 H HA -0.103 4.453 4.556 -0.000 0.000 0.314 66 H C -0.735 174.639 175.328 0.076 0.000 1.270 66 H CA 0.246 56.342 56.048 0.081 0.000 1.165 66 H CB -1.962 27.832 29.762 0.053 0.000 1.436 66 H HN 0.162 nan 8.280 nan 0.000 0.431 67 L N -0.549 120.766 121.223 0.154 0.000 2.283 67 L HA 0.694 5.034 4.340 -0.000 0.000 0.259 67 L C 0.186 177.139 176.870 0.138 0.000 1.027 67 L CA -1.662 53.259 54.840 0.134 0.000 0.828 67 L CB 1.916 44.050 42.059 0.126 0.000 1.380 67 L HN -0.037 nan 8.230 nan 0.000 0.425 68 V N -0.051 119.920 119.914 0.095 0.000 2.509 68 V HA 0.315 4.435 4.120 -0.000 0.000 0.284 68 V C -2.203 173.904 176.094 0.022 0.000 1.047 68 V CA -1.690 60.637 62.300 0.045 0.000 0.952 68 V CB 0.533 32.366 31.823 0.017 0.000 0.988 68 V HN 0.583 nan 8.190 nan 0.000 0.469 69 P HA 0.349 nan 4.420 nan 0.000 0.267 69 P C -0.458 176.730 177.300 -0.186 0.000 1.205 69 P CA -0.092 62.782 63.100 -0.378 0.000 0.765 69 P CB 0.342 31.532 31.700 -0.851 0.000 0.828 70 R N 2.987 123.444 120.500 -0.071 0.000 2.576 70 R HA 0.282 4.622 4.340 -0.000 0.000 0.283 70 R C -1.014 175.289 176.300 0.004 0.000 1.493 70 R CA -0.865 55.218 56.100 -0.027 0.000 1.170 70 R CB 0.402 30.708 30.300 0.010 0.000 1.189 70 R HN 0.340 nan 8.270 nan 0.000 0.542 71 L N 3.693 124.900 121.223 -0.027 0.000 2.500 71 L HA 0.172 4.512 4.340 -0.000 0.000 0.272 71 L C -0.381 176.499 176.870 0.017 0.000 1.149 71 L CA 0.632 55.477 54.840 0.007 0.000 0.897 71 L CB 1.080 43.132 42.059 -0.012 0.000 1.178 71 L HN 0.206 nan 8.230 nan 0.000 0.473 72 V N 4.379 124.312 119.914 0.031 0.000 2.841 72 V HA 0.366 4.486 4.120 -0.000 0.000 0.310 72 V C -0.609 175.502 176.094 0.028 0.000 1.090 72 V CA -0.875 61.439 62.300 0.022 0.000 0.930 72 V CB 2.235 34.066 31.823 0.013 0.000 1.014 72 V HN 0.440 nan 8.190 nan 0.000 0.425 73 L N 4.295 125.535 121.223 0.029 0.000 2.268 73 L HA 0.432 4.772 4.340 -0.000 0.000 0.289 73 L C 0.799 177.642 176.870 -0.046 0.000 1.064 73 L CA 0.230 55.100 54.840 0.049 0.000 0.824 73 L CB 0.999 43.111 42.059 0.088 0.000 1.202 73 L HN 0.647 nan 8.230 nan 0.000 0.433 74 Q N 4.568 124.256 119.800 -0.187 0.000 2.434 74 Q HA -0.112 4.228 4.340 -0.000 0.000 0.163 74 Q C 1.282 176.958 176.000 -0.540 0.000 0.954 74 Q CA 0.314 55.892 55.803 -0.376 0.000 0.985 74 Q CB -0.683 27.779 28.738 -0.460 0.000 1.631 74 Q HN 0.695 nan 8.270 nan 0.000 0.390 75 R N 0.718 121.104 120.500 -0.189 0.000 2.117 75 R HA -0.185 4.155 4.340 -0.000 0.000 0.243 75 R C 1.199 177.476 176.300 -0.038 0.000 1.143 75 R CA 1.188 57.260 56.100 -0.046 0.000 0.968 75 R CB 0.443 30.737 30.300 -0.011 0.000 0.863 75 R HN 0.238 nan 8.270 nan 0.000 0.444 76 E N 0.428 120.594 120.200 -0.057 0.000 2.046 76 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 76 E C 1.861 178.429 176.600 -0.054 0.000 0.982 76 E CA 1.008 57.380 56.400 -0.047 0.000 0.800 76 E CB -0.061 29.729 29.700 0.150 0.000 0.756 76 E HN 0.067 nan 8.360 nan 0.000 0.449 77 K N 0.210 120.639 120.400 0.048 0.000 2.103 77 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 77 K C 1.978 178.677 176.600 0.165 0.000 1.048 77 K CA 1.170 57.537 56.287 0.133 0.000 0.930 77 K CB -0.283 32.210 32.500 -0.011 0.000 0.716 77 K HN 0.182 nan 8.250 nan 0.000 0.444 78 H N -1.524 117.612 119.070 0.111 0.000 2.395 78 H HA -0.063 4.493 4.556 -0.000 0.000 0.299 78 H C 1.754 177.176 175.328 0.157 0.000 1.070 78 H CA 1.249 57.394 56.048 0.161 0.000 1.356 78 H CB -0.515 29.320 29.762 0.122 0.000 1.401 78 H HN 0.196 nan 8.280 nan 0.000 0.524 79 F N 1.514 121.463 119.950 -0.002 0.000 2.186 79 F HA -0.148 4.378 4.527 -0.000 0.000 0.299 79 F C 2.055 177.778 175.800 -0.128 0.000 1.090 79 F CA 1.473 59.389 58.000 -0.140 0.000 1.307 79 F CB -0.393 38.413 39.000 -0.323 0.000 1.019 79 F HN 0.185 nan 8.300 nan 0.000 0.489 80 H N -2.600 116.445 119.070 -0.041 0.000 2.462 80 H HA -0.111 4.445 4.556 -0.000 0.000 0.292 80 H C 1.751 177.060 175.328 -0.032 0.000 1.049 80 H CA 1.524 57.480 56.048 -0.155 0.000 1.334 80 H CB -0.411 29.369 29.762 0.030 0.000 1.404 80 H HN 0.407 nan 8.280 nan 0.000 0.544 81 Y N 1.559 121.886 120.300 0.045 0.000 2.130 81 Y HA -0.148 4.402 4.550 -0.000 0.000 0.287 81 Y C 1.943 177.900 175.900 0.094 0.000 1.124 81 Y CA 1.192 59.357 58.100 0.108 0.000 1.118 81 Y CB -0.644 37.914 38.460 0.164 0.000 0.994 81 Y HN 0.058 nan 8.280 nan 0.000 0.497 82 L N 0.680 121.859 121.223 -0.074 0.000 1.989 82 L HA -0.253 4.087 4.340 -0.000 0.000 0.211 82 L C 2.653 179.325 176.870 -0.331 0.000 1.071 82 L CA 2.150 56.829 54.840 -0.269 0.000 0.749 82 L CB -0.782 41.197 42.059 -0.134 0.000 0.890 82 L HN 0.155 nan 8.230 nan 0.000 0.431 83 K N -0.040 120.122 120.400 -0.397 0.000 2.113 83 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 83 K C 2.374 178.813 176.600 -0.269 0.000 1.047 83 K CA 1.338 57.365 56.287 -0.433 0.000 0.928 83 K CB 0.048 32.072 32.500 -0.793 0.000 0.716 83 K HN 0.182 nan 8.250 nan 0.000 0.446 84 R N -0.590 119.792 120.500 -0.197 0.000 2.075 84 R HA -0.018 4.322 4.340 -0.000 0.000 0.226 84 R C 2.403 178.604 176.300 -0.164 0.000 1.114 84 R CA 1.316 57.346 56.100 -0.117 0.000 0.972 84 R CB -0.579 29.716 30.300 -0.008 0.000 0.869 84 R HN 0.389 nan 8.270 nan 0.000 0.437 85 G N 1.003 109.648 108.800 -0.258 0.000 2.509 85 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 85 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 85 G C 1.333 175.933 174.900 -0.500 0.000 1.124 85 G CA 0.083 44.920 45.100 -0.438 0.000 0.776 85 G HN 0.186 nan 8.290 nan 0.000 0.547 86 L N 0.007 120.986 121.223 -0.407 0.000 2.376 86 L HA 0.292 4.632 4.340 -0.000 0.000 0.219 86 L C 2.418 179.134 176.870 -0.257 0.000 1.133 86 L CA 1.291 55.932 54.840 -0.331 0.000 0.816 86 L CB -0.064 41.840 42.059 -0.258 0.000 0.933 86 L HN 0.189 nan 8.230 nan 0.000 0.449 87 R N 0.146 120.513 120.500 -0.221 0.000 2.123 87 R HA 0.198 4.537 4.340 -0.000 0.000 0.209 87 R C -0.144 176.059 176.300 -0.162 0.000 1.078 87 R CA 0.943 56.940 56.100 -0.172 0.000 1.028 87 R CB 0.201 30.424 30.300 -0.128 0.000 0.939 87 R HN 0.606 nan 8.270 nan 0.000 0.463 88 Q N -0.512 119.200 119.800 -0.147 0.000 2.545 88 Q HA 0.372 4.712 4.340 -0.000 0.000 0.273 88 Q C -1.742 174.216 176.000 -0.069 0.000 0.975 88 Q CA -0.859 54.880 55.803 -0.105 0.000 0.876 88 Q CB 1.233 29.933 28.738 -0.063 0.000 1.472 88 Q HN 0.076 nan 8.270 nan 0.000 0.389 89 L N 1.248 122.453 121.223 -0.030 0.000 2.333 89 L HA 0.666 5.006 4.340 -0.000 0.000 0.263 89 L C 0.410 177.366 176.870 0.142 0.000 1.014 89 L CA -0.916 53.959 54.840 0.059 0.000 0.820 89 L CB 2.286 44.334 42.059 -0.020 0.000 1.352 89 L HN 0.958 nan 8.230 nan 0.000 0.421 90 T N -3.653 111.035 114.554 0.224 0.000 2.726 90 T HA 0.063 4.413 4.350 -0.000 0.000 0.294 90 T C 0.682 175.494 174.700 0.187 0.000 1.013 90 T CA -0.174 62.031 62.100 0.175 0.000 0.996 90 T CB 0.535 69.502 68.868 0.165 0.000 1.016 90 T HN 0.737 nan 8.240 nan 0.000 0.529 91 D N -0.336 120.136 120.400 0.121 0.000 2.392 91 D HA 0.035 4.674 4.640 -0.000 0.000 0.228 91 D C 1.812 178.166 176.300 0.089 0.000 1.003 91 D CA 0.783 54.843 54.000 0.100 0.000 0.917 91 D CB -0.638 40.200 40.800 0.064 0.000 0.890 91 D HN 0.660 nan 8.370 nan 0.000 0.532 92 A N -0.541 122.334 122.820 0.092 0.000 2.119 92 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 92 A C 1.053 178.565 177.584 -0.119 0.000 1.153 92 A CA 0.424 52.453 52.037 -0.013 0.000 0.692 92 A CB -0.759 18.222 19.000 -0.032 0.000 0.799 92 A HN 0.355 nan 8.150 nan 0.000 0.458 93 Y N -0.090 120.268 120.300 0.097 0.000 2.571 93 Y HA 0.171 4.721 4.550 0.000 0.000 0.275 93 Y C 1.700 177.662 175.900 0.104 0.000 1.179 93 Y CA -0.084 58.091 58.100 0.125 0.000 1.242 93 Y CB 0.135 38.699 38.460 0.172 0.000 1.126 93 Y HN 0.434 nan 8.280 nan 0.000 0.524 94 E N -0.576 119.708 120.200 0.140 0.000 2.204 94 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 94 E C 2.020 178.676 176.600 0.094 0.000 0.989 94 E CA 1.272 57.738 56.400 0.109 0.000 0.824 94 E CB -0.104 29.637 29.700 0.069 0.000 0.756 94 E HN 0.641 nan 8.360 nan 0.000 0.477 95 C N -0.635 118.706 119.300 0.068 0.000 2.472 95 C HA 0.136 4.596 4.460 -0.000 0.000 0.278 95 C C 1.637 176.686 174.990 0.097 0.000 1.447 95 C CA -0.209 58.840 59.018 0.052 0.000 1.773 95 C CB -0.849 26.893 27.740 0.003 0.000 1.793 95 C HN 0.215 nan 8.230 nan 0.000 0.544 96 L N 0.858 122.187 121.223 0.177 0.000 3.110 96 L HA 0.240 4.580 4.340 -0.000 0.000 0.266 96 L C 1.416 178.420 176.870 0.222 0.000 1.257 96 L CA 0.154 55.140 54.840 0.244 0.000 1.038 96 L CB -0.169 42.149 42.059 0.432 0.000 1.395 96 L HN 0.157 nan 8.230 nan 0.000 0.566 97 D N 1.117 121.615 120.400 0.163 0.000 2.350 97 D HA -0.100 4.540 4.640 -0.000 0.000 0.216 97 D C 1.599 177.967 176.300 0.113 0.000 0.968 97 D CA 0.996 55.077 54.000 0.136 0.000 0.894 97 D CB 0.537 41.398 40.800 0.101 0.000 0.909 97 D HN 0.295 nan 8.370 nan 0.000 0.520 98 A N -0.914 121.965 122.820 0.099 0.000 2.535 98 A HA 0.362 4.681 4.320 -0.000 0.000 0.273 98 A C 0.831 178.473 177.584 0.097 0.000 1.267 98 A CA -0.315 51.761 52.037 0.064 0.000 0.940 98 A CB 0.496 19.504 19.000 0.013 0.000 1.101 98 A HN 0.045 nan 8.150 nan 0.000 0.521 99 S N -0.457 115.343 115.700 0.166 0.000 2.835 99 S HA 0.193 4.663 4.470 -0.000 0.000 0.248 99 S C 1.114 175.848 174.600 0.223 0.000 1.070 99 S CA -0.506 57.853 58.200 0.265 0.000 1.090 99 S CB 0.082 63.439 63.200 0.263 0.000 0.978 99 S HN 0.565 nan 8.310 nan 0.000 0.510 100 R N 1.822 122.429 120.500 0.179 0.000 2.092 100 R HA -0.015 4.325 4.340 -0.000 0.000 0.231 100 R C -1.106 175.266 176.300 0.120 0.000 1.119 100 R CA 1.169 57.384 56.100 0.192 0.000 0.970 100 R CB -1.273 29.230 30.300 0.337 0.000 0.864 100 R HN 0.281 nan 8.270 nan 0.000 0.440 101 P HA -0.140 nan 4.420 nan 0.000 0.222 101 P C 0.298 177.440 177.300 -0.263 0.000 1.147 101 P CA 0.979 63.984 63.100 -0.158 0.000 0.790 101 P CB -0.044 31.467 31.700 -0.314 0.000 0.780 102 W N -0.701 120.399 121.300 -0.332 0.000 2.409 102 W HA -0.023 4.637 4.660 0.000 0.000 0.299 102 W C 2.050 178.007 176.519 -0.937 0.000 1.203 102 W CA 0.419 57.305 57.345 -0.765 0.000 1.298 102 W CB -0.823 28.014 29.460 -1.039 0.000 1.127 102 W HN -0.148 nan 8.180 nan 0.000 0.528 103 L N -0.889 120.193 121.223 -0.236 0.000 2.083 103 L HA -0.271 4.069 4.340 -0.000 0.000 0.209 103 L C 2.309 179.111 176.870 -0.113 0.000 1.083 103 L CA 1.002 55.817 54.840 -0.041 0.000 0.752 103 L CB -0.954 41.106 42.059 0.003 0.000 0.899 103 L HN 0.080 nan 8.230 nan 0.000 0.433 104 C N -1.400 117.834 119.300 -0.110 0.000 2.436 104 C HA -0.221 4.239 4.460 -0.000 0.000 0.277 104 C C 2.721 177.659 174.990 -0.086 0.000 1.241 104 C CA 0.504 59.461 59.018 -0.101 0.000 1.721 104 C CB -0.862 26.845 27.740 -0.055 0.000 2.043 104 C HN 0.552 nan 8.230 nan 0.000 0.472 105 Y N 0.826 120.996 120.300 -0.218 0.000 2.145 105 Y HA -0.196 4.354 4.550 -0.000 0.000 0.286 105 Y C 2.351 178.268 175.900 0.028 0.000 1.145 105 Y CA 1.498 59.492 58.100 -0.177 0.000 1.148 105 Y CB -0.663 37.606 38.460 -0.320 0.000 0.981 105 Y HN 0.377 nan 8.280 nan 0.000 0.507 106 W N 0.498 121.702 121.300 -0.160 0.000 2.335 106 W HA -0.221 4.439 4.660 -0.000 0.000 0.311 106 W C 2.487 178.846 176.519 -0.267 0.000 1.213 106 W CA 1.434 58.624 57.345 -0.259 0.000 1.274 106 W CB -1.317 28.183 29.460 0.067 0.000 1.148 106 W HN 0.199 nan 8.180 nan 0.000 0.498 107 I N -0.423 120.133 120.570 -0.022 0.000 2.163 107 I HA -0.268 3.902 4.170 -0.000 0.000 0.240 107 I C 2.145 178.179 176.117 -0.139 0.000 1.081 107 I CA 0.961 62.162 61.300 -0.165 0.000 1.353 107 I CB -0.853 36.940 38.000 -0.346 0.000 1.054 107 I HN -0.222 nan 8.210 nan 0.000 0.407 108 L N 0.100 121.246 121.223 -0.129 0.000 2.633 108 L HA -0.195 4.145 4.340 -0.000 0.000 0.235 108 L C 1.991 178.824 176.870 -0.061 0.000 1.163 108 L CA 1.619 56.406 54.840 -0.088 0.000 0.859 108 L CB -1.050 40.969 42.059 -0.066 0.000 0.973 108 L HN 0.329 nan 8.230 nan 0.000 0.451 109 H N -3.119 115.796 119.070 -0.258 0.000 2.788 109 H HA 0.184 4.740 4.556 -0.000 0.000 0.262 109 H C 2.154 177.356 175.328 -0.209 0.000 0.968 109 H CA 0.838 56.714 56.048 -0.287 0.000 1.218 109 H CB 0.506 29.913 29.762 -0.592 0.000 1.443 109 H HN 0.094 nan 8.280 nan 0.000 0.478 110 S N 0.424 115.960 115.700 -0.273 0.000 2.357 110 S HA -0.046 4.424 4.470 -0.000 0.000 0.221 110 S C 2.133 176.641 174.600 -0.153 0.000 1.031 110 S CA 1.139 59.191 58.200 -0.246 0.000 0.982 110 S CB -0.186 62.938 63.200 -0.127 0.000 0.853 110 S HN 0.335 nan 8.310 nan 0.000 0.458 111 L N 1.564 122.736 121.223 -0.085 0.000 2.042 111 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 111 L C 2.741 179.583 176.870 -0.046 0.000 1.076 111 L CA 1.422 56.259 54.840 -0.005 0.000 0.749 111 L CB -0.591 41.484 42.059 0.026 0.000 0.893 111 L HN 0.380 nan 8.230 nan 0.000 0.432 112 E N 0.721 120.866 120.200 -0.091 0.000 2.118 112 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 112 E C 2.252 178.781 176.600 -0.119 0.000 0.992 112 E CA 1.296 57.648 56.400 -0.080 0.000 0.804 112 E CB 0.010 29.691 29.700 -0.033 0.000 0.741 112 E HN 0.485 nan 8.360 nan 0.000 0.458 113 L N 0.213 121.305 121.223 -0.218 0.000 2.270 113 L HA -0.041 4.299 4.340 -0.000 0.000 0.210 113 L C 2.148 178.973 176.870 -0.074 0.000 1.104 113 L CA 0.352 55.089 54.840 -0.172 0.000 0.804 113 L CB 0.030 41.926 42.059 -0.271 0.000 0.937 113 L HN 0.123 nan 8.230 nan 0.000 0.450 114 L N -0.495 120.693 121.223 -0.059 0.000 2.627 114 L HA -0.017 4.323 4.340 -0.000 0.000 0.233 114 L C 0.578 177.425 176.870 -0.038 0.000 1.144 114 L CA 0.052 54.882 54.840 -0.017 0.000 0.892 114 L CB -0.407 41.668 42.059 0.026 0.000 1.039 114 L HN 0.257 nan 8.230 nan 0.000 0.442 115 D N 0.355 120.729 120.400 -0.043 0.000 2.983 115 D HA -0.182 4.458 4.640 -0.000 0.000 0.225 115 D C 0.435 176.692 176.300 -0.071 0.000 1.174 115 D CA 0.753 54.724 54.000 -0.047 0.000 0.831 115 D CB -0.229 40.547 40.800 -0.040 0.000 1.104 115 D HN 0.326 nan 8.370 nan 0.000 0.421 116 E N 0.316 120.477 120.200 -0.066 0.000 2.345 116 E HA 0.380 4.730 4.350 -0.000 0.000 0.259 116 E C -1.829 174.754 176.600 -0.027 0.000 1.117 116 E CA -1.164 55.178 56.400 -0.098 0.000 0.913 116 E CB 0.262 29.946 29.700 -0.027 0.000 1.057 116 E HN 0.290 nan 8.360 nan 0.000 0.432 117 P HA 0.242 nan 4.420 nan 0.000 0.278 117 P C -0.415 176.913 177.300 0.047 0.000 1.238 117 P CA -0.205 62.903 63.100 0.013 0.000 0.794 117 P CB 0.740 32.445 31.700 0.009 0.000 0.955 118 I N 2.728 123.305 120.570 0.012 0.000 2.621 118 I HA 0.248 4.418 4.170 -0.000 0.000 0.276 118 I C -2.267 173.844 176.117 -0.010 0.000 1.118 118 I CA -2.713 58.586 61.300 -0.001 0.000 1.159 118 I CB -0.298 37.690 38.000 -0.020 0.000 1.357 118 I HN 0.114 nan 8.210 nan 0.000 0.513 119 P HA -0.077 nan 4.420 nan 0.000 0.260 119 P C 0.983 178.270 177.300 -0.020 0.000 1.147 119 P CA 0.475 63.572 63.100 -0.006 0.000 0.758 119 P CB 0.505 32.206 31.700 0.001 0.000 0.744 120 Q N 1.848 121.635 119.800 -0.023 0.000 2.522 120 Q HA -0.167 4.172 4.340 -0.000 0.000 0.216 120 Q C 1.014 176.996 176.000 -0.029 0.000 0.986 120 Q CA 1.110 56.894 55.803 -0.031 0.000 0.901 120 Q CB -0.285 28.435 28.738 -0.029 0.000 0.954 120 Q HN 0.530 nan 8.270 nan 0.000 0.502 121 I N -1.925 118.631 120.570 -0.024 0.000 3.039 121 I HA -0.102 4.068 4.170 -0.000 0.000 0.270 121 I C 1.966 178.067 176.117 -0.027 0.000 1.150 121 I CA 0.309 61.596 61.300 -0.023 0.000 1.448 121 I CB -0.388 37.602 38.000 -0.018 0.000 1.197 121 I HN -0.075 nan 8.210 nan 0.000 0.450 122 V N 1.080 120.977 119.914 -0.030 0.000 2.358 122 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 122 V C 2.677 178.747 176.094 -0.040 0.000 1.047 122 V CA 2.010 64.286 62.300 -0.039 0.000 1.035 122 V CB -0.407 31.389 31.823 -0.044 0.000 0.658 122 V HN 0.403 nan 8.190 nan 0.000 0.452 123 A N -0.861 121.935 122.820 -0.040 0.000 1.940 123 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 123 A C 2.326 179.886 177.584 -0.041 0.000 1.176 123 A CA 2.687 54.695 52.037 -0.047 0.000 0.631 123 A CB -1.091 17.875 19.000 -0.058 0.000 0.814 123 A HN 0.560 nan 8.150 nan 0.000 0.446 124 T N 0.223 114.756 114.554 -0.034 0.000 2.737 124 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 124 T C 1.531 176.229 174.700 -0.004 0.000 1.038 124 T CA 1.410 63.495 62.100 -0.024 0.000 1.144 124 T CB -0.419 68.436 68.868 -0.022 0.000 0.866 124 T HN 0.508 nan 8.240 nan 0.000 0.434 125 D N 1.014 121.411 120.400 -0.004 0.000 2.104 125 D HA -0.083 4.557 4.640 -0.000 0.000 0.194 125 D C 2.282 178.613 176.300 0.052 0.000 0.994 125 D CA 0.786 54.794 54.000 0.013 0.000 0.830 125 D CB -0.616 40.173 40.800 -0.019 0.000 0.959 125 D HN 0.195 nan 8.370 nan 0.000 0.452 126 V N 1.056 120.985 119.914 0.025 0.000 2.287 126 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 126 V C 2.801 178.940 176.094 0.074 0.000 1.053 126 V CA 1.442 63.778 62.300 0.060 0.000 1.027 126 V CB -0.575 31.246 31.823 -0.003 0.000 0.646 126 V HN 0.298 nan 8.190 nan 0.000 0.447 127 C N -0.668 118.645 119.300 0.021 0.000 2.425 127 C HA -0.205 4.255 4.460 -0.000 0.000 0.277 127 C C 2.829 177.842 174.990 0.039 0.000 1.280 127 C CA 1.579 60.603 59.018 0.010 0.000 1.744 127 C CB -1.023 26.709 27.740 -0.013 0.000 1.989 127 C HN 0.696 nan 8.230 nan 0.000 0.491 128 Q N -0.583 119.252 119.800 0.058 0.000 2.123 128 Q HA -0.187 4.153 4.340 -0.000 0.000 0.199 128 Q C 2.059 178.126 176.000 0.112 0.000 0.966 128 Q CA 1.476 57.321 55.803 0.069 0.000 0.845 128 Q CB -0.298 28.477 28.738 0.062 0.000 0.907 128 Q HN 0.645 nan 8.270 nan 0.000 0.439 129 F N 0.953 120.897 119.950 -0.010 0.000 2.128 129 F HA -0.080 4.447 4.527 -0.000 0.000 0.295 129 F C 1.652 177.462 175.800 0.016 0.000 1.100 129 F CA 1.150 59.145 58.000 -0.007 0.000 1.260 129 F CB -0.322 38.660 39.000 -0.030 0.000 1.009 129 F HN 0.045 nan 8.300 nan 0.000 0.476 130 L N 0.107 121.235 121.223 -0.159 0.000 2.131 130 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 130 L C 2.421 179.299 176.870 0.015 0.000 1.092 130 L CA 1.788 56.511 54.840 -0.195 0.000 0.759 130 L CB -0.798 41.177 42.059 -0.141 0.000 0.903 130 L HN 0.240 nan 8.230 nan 0.000 0.435 131 E N 0.456 120.668 120.200 0.020 0.000 2.153 131 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 131 E C 2.253 178.825 176.600 -0.047 0.000 0.988 131 E CA 0.850 57.268 56.400 0.030 0.000 0.811 131 E CB 0.043 29.757 29.700 0.024 0.000 0.746 131 E HN 0.456 nan 8.360 nan 0.000 0.466 132 L N -0.512 120.650 121.223 -0.102 0.000 2.313 132 L HA -0.105 4.235 4.340 -0.000 0.000 0.214 132 L C 2.209 178.974 176.870 -0.176 0.000 1.119 132 L CA 0.273 55.042 54.840 -0.117 0.000 0.809 132 L CB 0.080 42.093 42.059 -0.077 0.000 0.933 132 L HN 0.333 nan 8.230 nan 0.000 0.449 133 C N -1.107 118.044 119.300 -0.249 0.000 2.485 133 C HA -0.049 4.411 4.460 -0.000 0.000 0.278 133 C C 1.578 176.514 174.990 -0.091 0.000 1.356 133 C CA -0.403 58.505 59.018 -0.184 0.000 1.747 133 C CB -0.541 27.061 27.740 -0.230 0.000 2.001 133 C HN 0.411 nan 8.230 nan 0.000 0.501 134 Q N 1.584 121.292 119.800 -0.153 0.000 2.330 134 Q HA 0.095 4.435 4.340 -0.000 0.000 0.279 134 Q C 0.147 175.918 176.000 -0.382 0.000 1.024 134 Q CA 0.320 55.758 55.803 -0.608 0.000 0.900 134 Q CB 0.535 28.838 28.738 -0.725 0.000 1.221 134 Q HN 0.489 nan 8.270 nan 0.000 0.396 135 S N 3.690 119.135 115.700 -0.424 0.000 2.585 135 S HA 0.380 4.850 4.470 -0.000 0.000 0.277 135 S C -1.731 172.735 174.600 -0.224 0.000 1.241 135 S CA -1.652 56.391 58.200 -0.261 0.000 1.041 135 S CB 0.947 63.995 63.200 -0.253 0.000 0.987 135 S HN 0.648 nan 8.310 nan 0.000 0.512 136 P HA 0.019 nan 4.420 nan 0.000 0.230 136 P C -0.027 177.218 177.300 -0.091 0.000 1.158 136 P CA 0.788 63.828 63.100 -0.101 0.000 0.769 136 P CB 0.079 31.741 31.700 -0.064 0.000 0.807 137 D N -0.317 120.017 120.400 -0.111 0.000 2.349 137 D HA 0.255 4.895 4.640 -0.000 0.000 0.214 137 D C 1.159 177.408 176.300 -0.085 0.000 1.063 137 D CA 0.575 54.533 54.000 -0.071 0.000 0.847 137 D CB 0.398 41.166 40.800 -0.054 0.000 0.933 137 D HN 0.156 nan 8.370 nan 0.000 0.513 138 G N -0.235 108.450 108.800 -0.192 0.000 2.675 138 G HA2 0.379 4.339 3.960 -0.000 0.000 0.686 138 G HA3 0.379 4.339 3.960 -0.000 0.000 0.686 138 G C 0.284 174.865 174.900 -0.532 0.000 1.215 138 G CA -0.480 44.478 45.100 -0.237 0.000 0.777 138 G HN 0.701 nan 8.290 nan 0.000 0.638 139 G N -0.836 107.649 108.800 -0.524 0.000 2.760 139 G HA2 0.376 4.336 3.960 -0.000 0.000 0.246 139 G HA3 0.376 4.336 3.960 -0.000 0.000 0.246 139 G C -0.481 173.975 174.900 -0.740 0.000 1.359 139 G CA 0.173 44.925 45.100 -0.580 0.000 0.861 139 G HN 1.812 nan 8.290 nan 0.000 0.541 140 F N 0.243 120.046 119.950 -0.245 0.000 2.563 140 F HA 0.708 5.235 4.527 -0.000 0.000 0.316 140 F C 1.077 176.804 175.800 -0.121 0.000 1.076 140 F CA 0.199 58.091 58.000 -0.181 0.000 0.921 140 F CB 2.107 41.001 39.000 -0.177 0.000 1.209 140 F HN 0.842 nan 8.300 nan 0.000 0.462 141 G N -0.036 108.800 108.800 0.059 0.000 2.557 141 G HA2 0.440 4.400 3.960 -0.000 0.000 0.302 141 G HA3 0.440 4.400 3.960 -0.000 0.000 0.302 141 G C 0.814 175.734 174.900 0.033 0.000 1.311 141 G CA -0.360 44.767 45.100 0.045 0.000 1.030 141 G HN 0.900 nan 8.290 nan 0.000 0.509 142 G N -1.836 106.976 108.800 0.021 0.000 2.813 142 G HA2 0.461 4.421 3.960 -0.000 0.000 0.209 142 G HA3 0.461 4.421 3.960 -0.000 0.000 0.209 142 G C 0.643 175.573 174.900 0.051 0.000 1.150 142 G CA 0.969 46.090 45.100 0.035 0.000 0.785 142 G HN 1.242 nan 8.290 nan 0.000 0.535 143 G N -1.280 107.527 108.800 0.012 0.000 2.441 143 G HA2 0.481 4.441 3.960 -0.000 0.000 0.294 143 G HA3 0.481 4.441 3.960 -0.000 0.000 0.294 143 G C -3.407 171.472 174.900 -0.036 0.000 1.393 143 G CA -0.961 44.160 45.100 0.035 0.000 0.796 143 G HN -0.107 nan 8.290 nan 0.000 0.494 144 P HA 0.301 nan 4.420 nan 0.000 0.262 144 P C 1.024 178.321 177.300 -0.005 0.000 1.182 144 P CA 2.044 65.129 63.100 -0.025 0.000 0.761 144 P CB 0.901 32.634 31.700 0.056 0.000 0.795 145 G N 1.684 110.473 108.800 -0.018 0.000 2.179 145 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 145 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 145 G C 0.064 174.957 174.900 -0.011 0.000 0.977 145 G CA -0.236 44.862 45.100 -0.003 0.000 0.641 145 G HN 0.570 nan 8.290 nan 0.000 0.533 146 Q N -0.527 119.260 119.800 -0.021 0.000 2.230 146 Q HA 0.517 4.857 4.340 -0.000 0.000 0.248 146 Q C 0.098 176.149 176.000 0.085 0.000 0.915 146 Q CA -0.787 54.988 55.803 -0.048 0.000 0.900 146 Q CB 0.989 29.702 28.738 -0.043 0.000 1.229 146 Q HN 0.489 nan 8.270 nan 0.000 0.439 147 Y N 2.533 122.838 120.300 0.008 0.000 2.702 147 Y HA -0.004 4.546 4.550 -0.000 0.000 0.336 147 Y C -1.546 174.360 175.900 0.011 0.000 1.235 147 Y CA -1.817 56.294 58.100 0.018 0.000 1.492 147 Y CB 0.014 38.523 38.460 0.081 0.000 1.308 147 Y HN 0.392 nan 8.280 nan 0.000 0.589 148 P HA -0.056 nan 4.420 nan 0.000 0.269 148 P C -0.915 176.502 177.300 0.195 0.000 1.209 148 P CA 0.670 63.729 63.100 -0.067 0.000 0.776 148 P CB 1.002 32.352 31.700 -0.582 0.000 0.876 149 H N 2.127 121.277 119.070 0.134 0.000 2.996 149 H HA 0.213 4.769 4.556 -0.000 0.000 0.368 149 H C 0.639 176.148 175.328 0.302 0.000 1.185 149 H CA -0.627 55.584 56.048 0.270 0.000 1.160 149 H CB 1.631 31.466 29.762 0.123 0.000 1.820 149 H HN 0.211 nan 8.280 nan 0.000 0.547 150 L N 2.523 123.957 121.223 0.351 0.000 2.141 150 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 150 L C 2.484 179.582 176.870 0.380 0.000 1.094 150 L CA 1.370 56.403 54.840 0.321 0.000 0.763 150 L CB -0.411 41.728 42.059 0.133 0.000 0.908 150 L HN 0.675 nan 8.230 nan 0.000 0.437 151 A N 0.778 123.985 122.820 0.645 0.000 1.858 151 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 151 A C -0.136 177.578 177.584 0.218 0.000 1.190 151 A CA 1.443 53.846 52.037 0.611 0.000 0.617 151 A CB -1.739 17.750 19.000 0.815 0.000 0.827 151 A HN 0.257 nan 8.150 nan 0.000 0.443 152 P HA -0.065 nan 4.420 nan 0.000 0.218 152 P C 1.393 178.567 177.300 -0.209 0.000 1.149 152 P CA 1.646 64.643 63.100 -0.172 0.000 0.817 152 P CB -0.174 31.540 31.700 0.022 0.000 0.785 153 T N -1.319 113.257 114.554 0.037 0.000 2.701 153 T HA -0.208 4.142 4.350 -0.000 0.000 0.263 153 T C 1.626 176.252 174.700 -0.124 0.000 1.040 153 T CA 1.292 63.452 62.100 0.099 0.000 1.147 153 T CB -1.181 67.846 68.868 0.265 0.000 0.865 153 T HN 0.114 nan 8.240 nan 0.000 0.426 154 Y N 2.245 122.410 120.300 -0.225 0.000 2.128 154 Y HA -0.140 4.410 4.550 -0.000 0.000 0.284 154 Y C 2.472 178.021 175.900 -0.586 0.000 1.154 154 Y CA 1.196 59.097 58.100 -0.331 0.000 1.149 154 Y CB -0.715 37.605 38.460 -0.234 0.000 0.976 154 Y HN 0.172 nan 8.280 nan 0.000 0.505 155 A N 0.827 123.132 122.820 -0.857 0.000 1.877 155 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 155 A C 2.467 179.555 177.584 -0.826 0.000 1.186 155 A CA 2.025 53.361 52.037 -1.170 0.000 0.620 155 A CB -1.616 16.454 19.000 -1.549 0.000 0.822 155 A HN 0.673 nan 8.150 nan 0.000 0.443 156 A N -0.475 121.884 122.820 -0.769 0.000 1.883 156 A HA -0.050 4.269 4.320 -0.000 0.000 0.217 156 A C 2.243 179.400 177.584 -0.711 0.000 1.186 156 A CA 1.981 53.505 52.037 -0.854 0.000 0.624 156 A CB -1.096 16.936 19.000 -1.614 0.000 0.822 156 A HN 0.444 nan 8.150 nan 0.000 0.444 157 V N 0.753 120.280 119.914 -0.646 0.000 2.332 157 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 157 V C 2.350 178.219 176.094 -0.375 0.000 1.055 157 V CA 2.283 64.335 62.300 -0.415 0.000 1.038 157 V CB -1.105 30.527 31.823 -0.317 0.000 0.651 157 V HN 0.552 nan 8.190 nan 0.000 0.450 158 N N 0.229 118.599 118.700 -0.550 0.000 2.120 158 N HA -0.106 4.634 4.740 -0.000 0.000 0.188 158 N C 1.830 177.219 175.510 -0.202 0.000 1.024 158 N CA 1.608 54.380 53.050 -0.463 0.000 0.852 158 N CB -0.538 37.399 38.487 -0.917 0.000 1.003 158 N HN 0.490 nan 8.380 nan 0.000 0.424 159 A N 1.017 123.710 122.820 -0.212 0.000 1.835 159 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 159 A C 2.281 179.805 177.584 -0.101 0.000 1.199 159 A CA 1.122 53.102 52.037 -0.095 0.000 0.615 159 A CB -1.024 17.884 19.000 -0.153 0.000 0.838 159 A HN 0.263 nan 8.150 nan 0.000 0.444 160 L N -0.730 120.405 121.223 -0.146 0.000 2.137 160 L HA -0.312 4.028 4.340 -0.000 0.000 0.213 160 L C 2.655 179.513 176.870 -0.020 0.000 1.085 160 L CA 1.414 56.204 54.840 -0.083 0.000 0.760 160 L CB -0.690 41.338 42.059 -0.051 0.000 0.893 160 L HN 0.541 nan 8.230 nan 0.000 0.434 161 C N -0.601 118.713 119.300 0.024 0.000 2.475 161 C HA -0.020 4.440 4.460 -0.000 0.000 0.279 161 C C 2.686 177.705 174.990 0.049 0.000 1.322 161 C CA -0.062 59.033 59.018 0.129 0.000 1.734 161 C CB -0.415 27.374 27.740 0.082 0.000 2.005 161 C HN 0.425 nan 8.230 nan 0.000 0.495 162 I N 0.896 121.473 120.570 0.012 0.000 2.208 162 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 162 I C 2.246 178.350 176.117 -0.021 0.000 1.097 162 I CA 1.737 63.051 61.300 0.024 0.000 1.363 162 I CB -0.369 37.659 38.000 0.047 0.000 1.051 162 I HN 0.328 nan 8.210 nan 0.000 0.413 163 I N 0.607 121.138 120.570 -0.065 0.000 2.110 163 I HA -0.137 4.033 4.170 -0.000 0.000 0.236 163 I C 1.438 177.451 176.117 -0.174 0.000 1.068 163 I CA 1.273 62.507 61.300 -0.110 0.000 1.333 163 I CB -0.877 37.045 38.000 -0.131 0.000 1.054 163 I HN 0.413 nan 8.210 nan 0.000 0.402 164 G N 2.369 110.991 108.800 -0.296 0.000 2.417 164 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.291 164 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.291 164 G C 0.081 174.539 174.900 -0.736 0.000 1.094 164 G CA 0.331 45.105 45.100 -0.544 0.000 1.146 164 G HN 0.632 nan 8.290 nan 0.000 0.519 165 T N -3.139 110.855 114.554 -0.934 0.000 2.896 165 T HA 0.699 5.049 4.350 -0.000 0.000 0.297 165 T C 0.934 175.257 174.700 -0.628 0.000 1.108 165 T CA -0.106 61.640 62.100 -0.590 0.000 1.004 165 T CB 2.040 70.716 68.868 -0.319 0.000 1.159 165 T HN -0.069 nan 8.240 nan 0.000 0.499 166 E N 0.790 120.797 120.200 -0.322 0.000 2.114 166 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 166 E C 1.676 178.195 176.600 -0.135 0.000 1.008 166 E CA 1.878 58.173 56.400 -0.175 0.000 0.810 166 E CB -0.149 29.511 29.700 -0.066 0.000 0.739 166 E HN 0.926 nan 8.360 nan 0.000 0.456 167 E N 0.194 120.308 120.200 -0.144 0.000 2.017 167 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 167 E C 2.027 178.579 176.600 -0.080 0.000 0.997 167 E CA 1.147 57.496 56.400 -0.086 0.000 0.804 167 E CB -0.076 29.577 29.700 -0.079 0.000 0.757 167 E HN 0.161 nan 8.360 nan 0.000 0.448 168 A N 0.644 123.362 122.820 -0.170 0.000 1.851 168 A HA -0.208 4.111 4.320 -0.000 0.000 0.216 168 A C 2.102 179.693 177.584 0.012 0.000 1.195 168 A CA 1.742 53.702 52.037 -0.128 0.000 0.622 168 A CB -1.388 17.467 19.000 -0.241 0.000 0.831 168 A HN 0.549 nan 8.150 nan 0.000 0.444 169 Y N -0.053 120.223 120.300 -0.039 0.000 2.193 169 Y HA -0.252 4.298 4.550 -0.000 0.000 0.285 169 Y C 2.287 178.281 175.900 0.156 0.000 1.166 169 Y CA 0.908 59.043 58.100 0.058 0.000 1.181 169 Y CB -0.267 37.948 38.460 -0.409 0.000 0.976 169 Y HN 0.313 nan 8.280 nan 0.000 0.520 170 N N -0.274 118.549 118.700 0.206 0.000 2.550 170 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 170 N C 1.564 177.164 175.510 0.150 0.000 1.110 170 N CA 0.493 53.645 53.050 0.170 0.000 0.912 170 N CB -0.165 38.377 38.487 0.092 0.000 0.968 170 N HN 0.161 nan 8.380 nan 0.000 0.448 171 V N 0.986 120.990 119.914 0.151 0.000 2.453 171 V HA -0.037 4.083 4.120 -0.000 0.000 0.247 171 V C 1.055 177.255 176.094 0.177 0.000 1.048 171 V CA 0.597 62.978 62.300 0.136 0.000 1.049 171 V CB -0.215 31.685 31.823 0.129 0.000 0.672 171 V HN 0.189 nan 8.190 nan 0.000 0.457 172 I N 2.506 123.220 120.570 0.241 0.000 2.578 172 I HA 0.025 4.195 4.170 -0.000 0.000 0.286 172 I C 0.505 176.706 176.117 0.141 0.000 1.126 172 I CA 0.238 61.677 61.300 0.231 0.000 1.380 172 I CB -0.247 37.880 38.000 0.212 0.000 1.408 172 I HN 0.164 nan 8.210 nan 0.000 0.532 173 N N 7.219 125.946 118.700 0.045 0.000 2.482 173 N HA 0.116 4.856 4.740 -0.000 0.000 0.242 173 N C 0.959 176.477 175.510 0.014 0.000 1.100 173 N CA -0.060 53.000 53.050 0.017 0.000 0.946 173 N CB 0.510 38.972 38.487 -0.042 0.000 1.227 173 N HN 0.457 nan 8.380 nan 0.000 0.508 174 R N 1.370 121.893 120.500 0.039 0.000 2.115 174 R HA -0.083 4.257 4.340 -0.000 0.000 0.230 174 R C 1.289 177.597 176.300 0.014 0.000 1.111 174 R CA 1.178 57.284 56.100 0.010 0.000 0.976 174 R CB 0.183 30.495 30.300 0.021 0.000 0.870 174 R HN 0.584 nan 8.270 nan 0.000 0.445 175 E N 0.760 120.977 120.200 0.029 0.000 2.216 175 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 175 E C 1.386 178.043 176.600 0.096 0.000 0.988 175 E CA 0.784 57.215 56.400 0.052 0.000 0.834 175 E CB -0.011 29.719 29.700 0.050 0.000 0.772 175 E HN 0.121 nan 8.360 nan 0.000 0.479 176 K N 0.502 120.936 120.400 0.057 0.000 2.211 176 K HA 0.078 4.398 4.320 -0.000 0.000 0.201 176 K C 2.083 178.730 176.600 0.079 0.000 1.052 176 K CA 0.078 56.397 56.287 0.053 0.000 0.973 176 K CB -0.227 32.265 32.500 -0.014 0.000 0.766 176 K HN 0.106 nan 8.250 nan 0.000 0.466 177 L N 1.398 122.654 121.223 0.055 0.000 2.093 177 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 177 L C 1.983 178.923 176.870 0.117 0.000 1.085 177 L CA 1.353 56.245 54.840 0.086 0.000 0.755 177 L CB -0.481 41.597 42.059 0.032 0.000 0.904 177 L HN 0.078 nan 8.230 nan 0.000 0.435 178 L N -1.253 120.032 121.223 0.102 0.000 2.056 178 L HA -0.240 4.100 4.340 -0.000 0.000 0.207 178 L C 2.607 179.634 176.870 0.262 0.000 1.078 178 L CA 1.315 56.228 54.840 0.122 0.000 0.749 178 L CB -0.221 41.952 42.059 0.190 0.000 0.901 178 L HN 0.407 nan 8.230 nan 0.000 0.433 179 Q N -1.182 118.796 119.800 0.297 0.000 2.045 179 Q HA -0.313 4.027 4.340 -0.000 0.000 0.206 179 Q C 2.053 178.185 176.000 0.219 0.000 0.991 179 Q CA 2.447 58.403 55.803 0.256 0.000 0.851 179 Q CB -0.416 28.424 28.738 0.171 0.000 0.911 179 Q HN 0.448 nan 8.270 nan 0.000 0.418 180 Y N 1.215 121.554 120.300 0.064 0.000 2.097 180 Y HA -0.253 4.296 4.550 -0.000 0.000 0.282 180 Y C 1.848 177.777 175.900 0.050 0.000 1.152 180 Y CA 1.502 59.622 58.100 0.034 0.000 1.136 180 Y CB -0.459 38.000 38.460 -0.002 0.000 0.975 180 Y HN 0.045 nan 8.280 nan 0.000 0.498 181 L N -1.203 119.948 121.223 -0.119 0.000 2.043 181 L HA -0.322 4.018 4.340 -0.000 0.000 0.212 181 L C 2.349 179.167 176.870 -0.086 0.000 1.075 181 L CA 1.989 56.689 54.840 -0.234 0.000 0.752 181 L CB -0.941 40.970 42.059 -0.247 0.000 0.891 181 L HN 0.305 nan 8.230 nan 0.000 0.432 182 Y N -0.122 120.154 120.300 -0.040 0.000 2.352 182 Y HA -0.252 4.297 4.550 -0.000 0.000 0.292 182 Y C 3.036 178.871 175.900 -0.109 0.000 1.136 182 Y CA 1.129 59.192 58.100 -0.063 0.000 1.227 182 Y CB -0.061 38.365 38.460 -0.057 0.000 0.991 182 Y HN 0.322 nan 8.280 nan 0.000 0.545 183 S N -0.021 115.700 115.700 0.036 0.000 2.423 183 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 183 S C 1.529 176.073 174.600 -0.092 0.000 1.014 183 S CA 1.103 59.283 58.200 -0.033 0.000 0.965 183 S CB -0.637 62.560 63.200 -0.004 0.000 0.785 183 S HN 0.510 nan 8.310 nan 0.000 0.495 184 L N -0.335 120.808 121.223 -0.133 0.000 2.416 184 L HA 0.333 4.673 4.340 -0.000 0.000 0.216 184 L C 1.001 177.808 176.870 -0.106 0.000 1.098 184 L CA -0.206 54.568 54.840 -0.110 0.000 0.840 184 L CB -0.410 41.566 42.059 -0.140 0.000 0.981 184 L HN 0.106 nan 8.230 nan 0.000 0.462 185 K N 1.919 122.221 120.400 -0.163 0.000 2.511 185 K HA -0.021 4.299 4.320 -0.000 0.000 0.280 185 K C -0.192 176.167 176.600 -0.401 0.000 1.008 185 K CA 0.659 56.612 56.287 -0.556 0.000 1.050 185 K CB 0.311 32.542 32.500 -0.449 0.000 0.889 185 K HN -0.054 nan 8.250 nan 0.000 0.484 186 Q N 4.838 124.341 119.800 -0.494 0.000 2.266 186 Q HA 0.277 4.617 4.340 -0.000 0.000 0.261 186 Q C -1.801 174.034 176.000 -0.275 0.000 0.985 186 Q CA -2.295 53.311 55.803 -0.329 0.000 0.873 186 Q CB 1.108 29.642 28.738 -0.340 0.000 1.306 186 Q HN 0.417 nan 8.270 nan 0.000 0.447 187 P HA -0.170 nan 4.420 nan 0.000 0.218 187 P C 0.452 177.692 177.300 -0.101 0.000 1.148 187 P CA 1.378 64.404 63.100 -0.124 0.000 0.822 187 P CB 0.277 31.925 31.700 -0.086 0.000 0.784 188 D N -2.031 118.308 120.400 -0.102 0.000 2.336 188 D HA 0.067 4.707 4.640 -0.000 0.000 0.229 188 D C 1.430 177.711 176.300 -0.032 0.000 1.061 188 D CA 0.709 54.699 54.000 -0.016 0.000 0.875 188 D CB -0.763 40.089 40.800 0.086 0.000 0.904 188 D HN 0.265 nan 8.370 nan 0.000 0.525 189 G N -0.105 108.585 108.800 -0.183 0.000 2.232 189 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.226 189 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.226 189 G C 0.448 175.111 174.900 -0.394 0.000 0.996 189 G CA 0.276 45.266 45.100 -0.184 0.000 0.626 189 G HN 0.805 nan 8.290 nan 0.000 0.509 190 S N -0.132 115.133 115.700 -0.725 0.000 2.669 190 S HA 0.838 5.308 4.470 -0.000 0.000 0.270 190 S C -0.255 173.968 174.600 -0.630 0.000 1.225 190 S CA -0.485 57.170 58.200 -0.909 0.000 0.991 190 S CB 1.571 63.791 63.200 -1.632 0.000 0.987 190 S HN 0.501 nan 8.310 nan 0.000 0.552 191 F N -0.558 119.152 119.950 -0.400 0.000 2.579 191 F HA 0.587 5.114 4.527 -0.000 0.000 0.324 191 F C 0.045 175.693 175.800 -0.254 0.000 1.058 191 F CA -1.151 56.689 58.000 -0.267 0.000 0.944 191 F CB 1.299 40.183 39.000 -0.194 0.000 1.245 191 F HN 0.443 nan 8.300 nan 0.000 0.477 192 L N 2.039 123.250 121.223 -0.020 0.000 2.439 192 L HA 0.279 4.619 4.340 -0.000 0.000 0.259 192 L C 1.101 177.936 176.870 -0.058 0.000 1.129 192 L CA -0.800 53.992 54.840 -0.082 0.000 0.803 192 L CB 0.601 42.582 42.059 -0.129 0.000 1.161 192 L HN 0.622 nan 8.230 nan 0.000 0.462 193 M N -0.200 119.356 119.600 -0.073 0.000 2.334 193 M HA 0.049 4.529 4.480 -0.000 0.000 0.266 193 M C 0.347 176.569 176.300 -0.130 0.000 1.082 193 M CA 1.153 56.380 55.300 -0.121 0.000 1.141 193 M CB -0.782 31.742 32.600 -0.127 0.000 1.380 193 M HN 0.783 nan 8.290 nan 0.000 0.440 194 H N -4.446 114.522 119.070 -0.170 0.000 2.981 194 H HA 0.504 5.060 4.556 -0.000 0.000 0.327 194 H C -0.906 174.443 175.328 0.034 0.000 1.342 194 H CA -1.266 54.782 56.048 0.000 0.000 1.123 194 H CB 0.754 30.559 29.762 0.072 0.000 1.851 194 H HN -0.249 nan 8.280 nan 0.000 0.531 195 V N 1.736 121.699 119.914 0.082 0.000 2.493 195 V HA 0.247 4.366 4.120 -0.000 0.000 0.292 195 V C 1.498 177.511 176.094 -0.135 0.000 1.016 195 V CA 1.694 63.976 62.300 -0.030 0.000 1.097 195 V CB 0.121 31.959 31.823 0.025 0.000 0.947 195 V HN 1.303 nan 8.190 nan 0.000 0.479 196 G N 3.671 112.367 108.800 -0.173 0.000 2.162 196 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.260 196 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.260 196 G C 0.488 175.202 174.900 -0.311 0.000 0.976 196 G CA 0.085 45.090 45.100 -0.158 0.000 0.655 196 G HN 1.318 nan 8.290 nan 0.000 0.533 197 G N -0.534 107.887 108.800 -0.632 0.000 2.531 197 G HA2 0.663 4.623 3.960 -0.000 0.000 0.313 197 G HA3 0.663 4.623 3.960 -0.000 0.000 0.313 197 G C 0.314 175.072 174.900 -0.238 0.000 1.238 197 G CA 0.220 44.869 45.100 -0.752 0.000 0.994 197 G HN 0.669 nan 8.290 nan 0.000 0.493 198 E N -1.044 119.123 120.200 -0.055 0.000 2.391 198 E HA 0.284 4.634 4.350 -0.000 0.000 0.255 198 E C -0.928 175.663 176.600 -0.015 0.000 1.187 198 E CA -0.283 56.118 56.400 0.002 0.000 0.941 198 E CB 1.223 30.968 29.700 0.075 0.000 1.010 198 E HN 0.089 nan 8.360 nan 0.000 0.458 199 V N 1.616 121.524 119.914 -0.011 0.000 2.540 199 V HA 0.423 4.543 4.120 -0.000 0.000 0.302 199 V C -0.770 175.337 176.094 0.021 0.000 1.035 199 V CA -0.274 62.001 62.300 -0.042 0.000 0.873 199 V CB 1.336 33.095 31.823 -0.106 0.000 0.992 199 V HN 0.960 nan 8.190 nan 0.000 0.428 200 D N 1.964 122.382 120.400 0.030 0.000 2.755 200 D HA 0.224 4.864 4.640 -0.000 0.000 0.277 200 D C 0.363 176.754 176.300 0.153 0.000 1.261 200 D CA -0.581 53.482 54.000 0.104 0.000 0.759 200 D CB 1.385 42.161 40.800 -0.039 0.000 1.279 200 D HN 0.142 nan 8.370 nan 0.000 0.420 201 V N 0.060 120.103 119.914 0.215 0.000 2.546 201 V HA -0.275 3.845 4.120 -0.000 0.000 0.254 201 V C 2.288 178.526 176.094 0.241 0.000 1.076 201 V CA 1.962 64.436 62.300 0.290 0.000 1.087 201 V CB -1.185 30.776 31.823 0.231 0.000 0.674 201 V HN 0.549 nan 8.190 nan 0.000 0.470 202 R N 1.451 122.107 120.500 0.261 0.000 2.117 202 R HA -0.178 4.162 4.340 -0.000 0.000 0.243 202 R C 2.697 179.103 176.300 0.176 0.000 1.143 202 R CA 1.818 58.064 56.100 0.243 0.000 0.968 202 R CB -0.676 29.772 30.300 0.248 0.000 0.863 202 R HN 0.767 nan 8.270 nan 0.000 0.444 203 S N 0.649 116.420 115.700 0.119 0.000 2.382 203 S HA -0.107 4.362 4.470 -0.000 0.000 0.228 203 S C 2.227 176.794 174.600 -0.055 0.000 1.027 203 S CA 0.979 59.197 58.200 0.029 0.000 0.991 203 S CB -0.163 63.055 63.200 0.031 0.000 0.823 203 S HN 0.380 nan 8.310 nan 0.000 0.469 204 A N 0.764 123.620 122.820 0.061 0.000 1.898 204 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 204 A C 2.108 179.692 177.584 0.001 0.000 1.181 204 A CA 1.470 53.552 52.037 0.075 0.000 0.620 204 A CB -1.200 17.922 19.000 0.203 0.000 0.819 204 A HN 0.705 nan 8.150 nan 0.000 0.442 205 Y N -0.024 120.241 120.300 -0.059 0.000 2.220 205 Y HA -0.196 4.354 4.550 -0.000 0.000 0.291 205 Y C 2.491 178.350 175.900 -0.068 0.000 1.129 205 Y CA 1.219 59.265 58.100 -0.091 0.000 1.161 205 Y CB -0.844 37.575 38.460 -0.067 0.000 0.997 205 Y HN 0.355 nan 8.280 nan 0.000 0.522 206 C N 0.680 119.877 119.300 -0.172 0.000 2.413 206 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 206 C C 3.091 177.991 174.990 -0.150 0.000 1.228 206 C CA 1.437 60.345 59.018 -0.184 0.000 1.731 206 C CB -1.731 26.001 27.740 -0.012 0.000 2.042 206 C HN 0.750 nan 8.230 nan 0.000 0.468 207 A N 0.544 123.233 122.820 -0.219 0.000 1.858 207 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 207 A C 2.394 179.975 177.584 -0.006 0.000 1.190 207 A CA 2.316 54.214 52.037 -0.233 0.000 0.617 207 A CB -1.153 17.413 19.000 -0.724 0.000 0.827 207 A HN 0.601 nan 8.150 nan 0.000 0.443 208 A N -0.694 122.054 122.820 -0.120 0.000 1.917 208 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 208 A C 2.523 180.025 177.584 -0.136 0.000 1.182 208 A CA 2.497 54.353 52.037 -0.301 0.000 0.633 208 A CB -1.059 17.617 19.000 -0.540 0.000 0.819 208 A HN 0.662 nan 8.150 nan 0.000 0.448 209 S N -0.483 115.104 115.700 -0.188 0.000 2.356 209 S HA -0.151 4.319 4.470 -0.000 0.000 0.223 209 S C 2.052 176.691 174.600 0.065 0.000 1.032 209 S CA 2.257 60.439 58.200 -0.030 0.000 1.005 209 S CB -0.838 62.252 63.200 -0.185 0.000 0.867 209 S HN 0.993 nan 8.310 nan 0.000 0.449 210 V N 0.324 120.227 119.914 -0.019 0.000 2.453 210 V HA 0.203 4.323 4.120 -0.000 0.000 0.247 210 V C 2.602 178.651 176.094 -0.076 0.000 1.048 210 V CA 1.480 63.740 62.300 -0.067 0.000 1.049 210 V CB -1.664 30.131 31.823 -0.046 0.000 0.672 210 V HN 0.512 nan 8.190 nan 0.000 0.457 211 A N 1.808 124.625 122.820 -0.004 0.000 1.898 211 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 211 A C 2.578 180.170 177.584 0.014 0.000 1.181 211 A CA 2.452 54.498 52.037 0.015 0.000 0.620 211 A CB -0.979 18.107 19.000 0.142 0.000 0.819 211 A HN 0.867 nan 8.150 nan 0.000 0.442 212 S N 0.285 116.018 115.700 0.055 0.000 2.345 212 S HA -0.099 4.371 4.470 -0.000 0.000 0.220 212 S C 1.935 176.521 174.600 -0.024 0.000 1.031 212 S CA 1.384 59.615 58.200 0.053 0.000 0.996 212 S CB -0.905 62.361 63.200 0.111 0.000 0.882 212 S HN 0.413 nan 8.310 nan 0.000 0.445 213 L N 1.970 123.140 121.223 -0.088 0.000 2.013 213 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 213 L C 3.063 179.754 176.870 -0.298 0.000 1.073 213 L CA 1.823 56.532 54.840 -0.219 0.000 0.753 213 L CB -1.259 40.613 42.059 -0.311 0.000 0.890 213 L HN 0.641 nan 8.230 nan 0.000 0.432 214 T N -3.709 110.568 114.554 -0.461 0.000 3.148 214 T HA 0.001 4.351 4.350 -0.000 0.000 0.253 214 T C 0.818 175.327 174.700 -0.318 0.000 1.134 214 T CA 0.279 61.875 62.100 -0.839 0.000 1.051 214 T CB -0.492 67.876 68.868 -0.834 0.000 0.959 214 T HN 0.407 nan 8.240 nan 0.000 0.525 215 N N 1.166 119.786 118.700 -0.134 0.000 2.641 215 N HA -0.179 4.561 4.740 -0.000 0.000 0.267 215 N C 0.175 175.654 175.510 -0.050 0.000 1.087 215 N CA 0.939 53.966 53.050 -0.038 0.000 0.731 215 N CB -1.833 36.668 38.487 0.022 0.000 0.886 215 N HN 0.887 nan 8.380 nan 0.000 0.547 216 I N -2.270 118.265 120.570 -0.059 0.000 4.310 216 I HA 0.360 4.530 4.170 -0.000 0.000 0.328 216 I C 0.112 176.189 176.117 -0.068 0.000 1.406 216 I CA -0.638 60.615 61.300 -0.078 0.000 1.174 216 I CB 0.161 38.105 38.000 -0.093 0.000 1.279 216 I HN 0.058 nan 8.210 nan 0.000 0.471 217 I N 4.206 124.772 120.570 -0.006 0.000 2.483 217 I HA 0.070 4.240 4.170 -0.000 0.000 0.291 217 I C 1.148 177.278 176.117 0.020 0.000 1.112 217 I CA 0.212 61.534 61.300 0.038 0.000 1.350 217 I CB 0.393 38.498 38.000 0.175 0.000 1.419 217 I HN 0.357 nan 8.210 nan 0.000 0.523 218 T N 4.394 118.944 114.554 -0.006 0.000 2.770 218 T HA 0.303 4.653 4.350 -0.000 0.000 0.281 218 T C -1.143 173.604 174.700 0.078 0.000 0.981 218 T CA -1.344 60.785 62.100 0.047 0.000 0.955 218 T CB 1.057 70.013 68.868 0.147 0.000 1.060 218 T HN 0.409 nan 8.240 nan 0.000 0.531 219 P HA 0.007 nan 4.420 nan 0.000 0.220 219 P C 0.665 178.028 177.300 0.104 0.000 1.152 219 P CA 1.100 64.256 63.100 0.093 0.000 0.812 219 P CB 0.023 31.769 31.700 0.078 0.000 0.792 220 D N -0.979 119.495 120.400 0.123 0.000 2.395 220 D HA -0.017 4.623 4.640 -0.000 0.000 0.213 220 D C 1.740 178.103 176.300 0.105 0.000 1.110 220 D CA -0.310 53.760 54.000 0.118 0.000 0.835 220 D CB -0.653 40.215 40.800 0.114 0.000 0.965 220 D HN -0.010 nan 8.370 nan 0.000 0.505 221 L N 0.317 121.547 121.223 0.011 0.000 1.971 221 L HA -0.027 4.313 4.340 -0.000 0.000 0.215 221 L C 1.081 177.743 176.870 -0.348 0.000 1.072 221 L CA 1.787 56.428 54.840 -0.332 0.000 0.758 221 L CB -0.840 40.821 42.059 -0.665 0.000 0.889 221 L HN -0.041 nan 8.230 nan 0.000 0.433 222 F N -0.211 119.792 119.950 0.088 0.000 2.798 222 F HA 0.259 4.786 4.527 -0.000 0.000 0.291 222 F C 0.702 176.537 175.800 0.059 0.000 1.174 222 F CA -0.619 57.452 58.000 0.118 0.000 1.392 222 F CB -0.472 38.604 39.000 0.127 0.000 0.966 222 F HN 0.073 nan 8.300 nan 0.000 0.509 223 E N 0.783 121.058 120.200 0.125 0.000 2.498 223 E HA 0.262 4.612 4.350 -0.000 0.000 0.252 223 E C 1.257 177.894 176.600 0.062 0.000 1.025 223 E CA 1.078 57.528 56.400 0.084 0.000 0.938 223 E CB 0.103 29.828 29.700 0.042 0.000 0.947 223 E HN 0.540 nan 8.360 nan 0.000 0.478 224 G N 3.295 112.146 108.800 0.085 0.000 2.184 224 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.264 224 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.264 224 G C 1.161 176.139 174.900 0.130 0.000 0.975 224 G CA 0.711 45.861 45.100 0.084 0.000 0.642 224 G HN 0.606 nan 8.290 nan 0.000 0.536 225 T N 0.611 115.264 114.554 0.166 0.000 2.821 225 T HA 0.199 4.549 4.350 -0.000 0.000 0.267 225 T C 2.754 177.588 174.700 0.224 0.000 1.046 225 T CA 2.092 64.331 62.100 0.231 0.000 1.139 225 T CB -0.300 68.791 68.868 0.372 0.000 0.871 225 T HN 1.126 nan 8.240 nan 0.000 0.454 226 A N 1.345 124.256 122.820 0.152 0.000 1.969 226 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 226 A C 2.166 179.810 177.584 0.100 0.000 1.169 226 A CA 1.413 53.511 52.037 0.101 0.000 0.635 226 A CB -0.392 18.644 19.000 0.060 0.000 0.810 226 A HN 0.400 nan 8.150 nan 0.000 0.445 227 E N -1.587 118.683 120.200 0.116 0.000 2.107 227 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 227 E C 1.520 178.180 176.600 0.101 0.000 0.982 227 E CA 0.972 57.424 56.400 0.086 0.000 0.809 227 E CB -0.277 29.470 29.700 0.079 0.000 0.756 227 E HN 0.834 nan 8.360 nan 0.000 0.459 228 W N 0.798 122.097 121.300 -0.002 0.000 2.379 228 W HA -0.048 4.612 4.660 -0.000 0.000 0.307 228 W C 1.653 178.160 176.519 -0.019 0.000 1.200 228 W CA 1.294 58.632 57.345 -0.011 0.000 1.297 228 W CB -0.146 29.313 29.460 -0.002 0.000 1.140 228 W HN -0.043 nan 8.180 nan 0.000 0.507 229 I N 0.830 121.560 120.570 0.267 0.000 2.335 229 I HA -0.328 3.842 4.170 -0.000 0.000 0.251 229 I C 2.429 178.485 176.117 -0.102 0.000 1.129 229 I CA 1.456 62.815 61.300 0.099 0.000 1.402 229 I CB -0.969 37.121 38.000 0.151 0.000 1.069 229 I HN 0.101 nan 8.210 nan 0.000 0.424 230 A N 0.387 123.160 122.820 -0.078 0.000 2.119 230 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 230 A C 2.298 179.778 177.584 -0.173 0.000 1.153 230 A CA 0.823 52.797 52.037 -0.105 0.000 0.692 230 A CB -0.368 18.599 19.000 -0.056 0.000 0.799 230 A HN 0.313 nan 8.150 nan 0.000 0.458 231 R N -1.171 119.171 120.500 -0.264 0.000 2.240 231 R HA -0.017 4.323 4.340 -0.000 0.000 0.203 231 R C 1.508 177.577 176.300 -0.386 0.000 1.011 231 R CA 0.979 56.889 56.100 -0.316 0.000 1.007 231 R CB -0.422 29.637 30.300 -0.402 0.000 0.911 231 R HN 0.585 nan 8.270 nan 0.000 0.468 232 C N 0.651 119.677 119.300 -0.456 0.000 2.481 232 C HA -0.010 4.450 4.460 -0.000 0.000 0.275 232 C C 1.434 176.241 174.990 -0.305 0.000 1.419 232 C CA -0.198 58.562 59.018 -0.429 0.000 1.773 232 C CB -0.799 26.673 27.740 -0.446 0.000 1.862 232 C HN 0.433 nan 8.230 nan 0.000 0.530 233 Q N 2.787 122.432 119.800 -0.259 0.000 2.286 233 Q HA 0.129 4.469 4.340 -0.000 0.000 0.267 233 Q C 0.170 176.035 176.000 -0.225 0.000 1.028 233 Q CA 0.185 55.837 55.803 -0.251 0.000 0.901 233 Q CB 0.468 29.090 28.738 -0.193 0.000 1.183 233 Q HN 0.712 nan 8.270 nan 0.000 0.392 234 N N 3.737 122.267 118.700 -0.284 0.000 2.725 234 N HA 0.115 4.855 4.740 -0.000 0.000 0.312 234 N C 0.821 176.202 175.510 -0.214 0.000 1.295 234 N CA -0.644 52.279 53.050 -0.211 0.000 0.914 234 N CB -0.310 38.026 38.487 -0.251 0.000 1.177 234 N HN 0.837 nan 8.380 nan 0.000 0.601 235 W N -0.537 120.703 121.300 -0.100 0.000 2.389 235 W HA -0.083 4.577 4.660 -0.000 0.000 0.267 235 W C 0.171 176.660 176.519 -0.049 0.000 1.219 235 W CA 0.816 58.124 57.345 -0.062 0.000 1.189 235 W CB -1.002 28.434 29.460 -0.039 0.000 1.129 235 W HN 0.598 nan 8.180 nan 0.000 0.581 236 E N 0.075 119.818 120.200 -0.762 0.000 2.442 236 E HA 0.195 4.545 4.350 -0.000 0.000 0.195 236 E C 2.053 178.449 176.600 -0.339 0.000 1.030 236 E CA 0.609 56.629 56.400 -0.634 0.000 0.869 236 E CB -0.237 28.924 29.700 -0.898 0.000 0.857 236 E HN 0.364 nan 8.360 nan 0.000 0.505 237 G N 1.031 109.618 108.800 -0.355 0.000 2.234 237 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.235 237 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.235 237 G C 0.555 175.195 174.900 -0.433 0.000 0.997 237 G CA -0.203 44.768 45.100 -0.215 0.000 0.623 237 G HN 0.517 nan 8.290 nan 0.000 0.514 238 G N -0.530 107.644 108.800 -1.043 0.000 2.535 238 G HA2 0.669 4.629 3.960 -0.000 0.000 0.303 238 G HA3 0.669 4.629 3.960 -0.000 0.000 0.303 238 G C -0.152 174.230 174.900 -0.864 0.000 1.237 238 G CA -0.694 43.488 45.100 -1.530 0.000 0.986 238 G HN 0.605 nan 8.290 nan 0.000 0.494 239 I N 0.156 120.315 120.570 -0.685 0.000 2.493 239 I HA 0.503 4.673 4.170 -0.000 0.000 0.298 239 I C 0.830 176.790 176.117 -0.261 0.000 0.998 239 I CA -0.712 60.366 61.300 -0.370 0.000 1.137 239 I CB 2.014 39.883 38.000 -0.218 0.000 1.310 239 I HN 0.587 nan 8.210 nan 0.000 0.445 240 G N 2.237 110.898 108.800 -0.232 0.000 2.601 240 G HA2 0.449 4.409 3.960 -0.000 0.000 0.317 240 G HA3 0.449 4.409 3.960 -0.000 0.000 0.317 240 G C 0.817 175.515 174.900 -0.337 0.000 1.246 240 G CA -0.220 44.775 45.100 -0.175 0.000 1.012 240 G HN 0.766 nan 8.290 nan 0.000 0.494 241 G N -1.426 107.002 108.800 -0.620 0.000 2.422 241 G HA2 0.235 4.195 3.960 -0.000 0.000 0.218 241 G HA3 0.235 4.195 3.960 -0.000 0.000 0.218 241 G C 0.631 175.259 174.900 -0.454 0.000 1.146 241 G CA 1.950 46.345 45.100 -1.176 0.000 0.769 241 G HN 1.519 nan 8.290 nan 0.000 0.547 242 V N -4.768 114.966 119.914 -0.300 0.000 3.147 242 V HA 0.643 4.763 4.120 -0.000 0.000 0.306 242 V C -3.029 172.863 176.094 -0.335 0.000 1.209 242 V CA -3.037 59.137 62.300 -0.210 0.000 1.023 242 V CB 1.773 33.606 31.823 0.018 0.000 1.059 242 V HN -0.131 nan 8.190 nan 0.000 0.435 243 P HA 0.350 nan 4.420 nan 0.000 0.262 243 P C 0.991 178.178 177.300 -0.189 0.000 1.182 243 P CA 2.095 64.975 63.100 -0.366 0.000 0.761 243 P CB 0.643 32.101 31.700 -0.403 0.000 0.795 244 G N 1.779 110.495 108.800 -0.140 0.000 2.254 244 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.225 244 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.225 244 G C 0.236 175.121 174.900 -0.026 0.000 1.003 244 G CA -0.417 44.649 45.100 -0.056 0.000 0.622 244 G HN 0.410 nan 8.290 nan 0.000 0.507 245 M N 1.165 120.720 119.600 -0.074 0.000 2.291 245 M HA 0.366 4.846 4.480 -0.000 0.000 0.324 245 M C 0.728 176.999 176.300 -0.048 0.000 1.148 245 M CA -0.495 54.777 55.300 -0.046 0.000 1.104 245 M CB 0.924 33.475 32.600 -0.082 0.000 1.483 245 M HN 0.361 nan 8.290 nan 0.000 0.467 246 E N 1.098 121.303 120.200 0.008 0.000 2.442 246 E HA 0.225 4.575 4.350 -0.000 0.000 0.262 246 E C -0.643 175.921 176.600 -0.059 0.000 1.004 246 E CA -0.372 56.023 56.400 -0.008 0.000 0.928 246 E CB 0.781 30.529 29.700 0.081 0.000 0.937 246 E HN 0.689 nan 8.360 nan 0.000 0.446 247 A N 5.043 127.730 122.820 -0.223 0.000 2.520 247 A HA 0.039 4.359 4.320 -0.000 0.000 0.245 247 A C -0.404 177.208 177.584 0.047 0.000 1.072 247 A CA 0.194 52.011 52.037 -0.366 0.000 0.761 247 A CB 0.241 18.652 19.000 -0.980 0.000 1.004 247 A HN 0.702 nan 8.150 nan 0.000 0.499 248 H N 1.770 120.849 119.070 0.015 0.000 2.771 248 H HA 0.392 4.948 4.556 -0.000 0.000 0.361 248 H C 1.142 176.629 175.328 0.265 0.000 1.108 248 H CA 0.148 56.312 56.048 0.193 0.000 1.201 248 H CB 1.782 31.672 29.762 0.213 0.000 1.681 248 H HN 0.646 nan 8.280 nan 0.000 0.534 249 G N 2.301 111.093 108.800 -0.014 0.000 2.442 249 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.219 249 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.219 249 G C 1.459 176.518 174.900 0.265 0.000 1.141 249 G CA 0.758 45.970 45.100 0.187 0.000 0.763 249 G HN 0.661 nan 8.290 nan 0.000 0.554 250 G N -0.620 108.321 108.800 0.235 0.000 2.448 250 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.218 250 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.218 250 G C 1.524 176.298 174.900 -0.210 0.000 1.135 250 G CA 0.484 45.403 45.100 -0.303 0.000 0.784 250 G HN 0.530 nan 8.290 nan 0.000 0.543 251 Y N 0.544 120.919 120.300 0.126 0.000 2.365 251 Y HA -0.004 4.546 4.550 -0.000 0.000 0.293 251 Y C 3.186 179.085 175.900 -0.001 0.000 1.119 251 Y CA 0.981 59.086 58.100 0.009 0.000 1.203 251 Y CB 0.202 38.653 38.460 -0.015 0.000 1.026 251 Y HN 0.102 nan 8.280 nan 0.000 0.549 252 T N 0.471 115.139 114.554 0.189 0.000 2.867 252 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 252 T C 1.504 176.247 174.700 0.070 0.000 1.057 252 T CA 1.223 63.370 62.100 0.079 0.000 1.136 252 T CB -0.508 68.434 68.868 0.123 0.000 0.874 252 T HN 0.342 nan 8.240 nan 0.000 0.466 253 F N 1.259 121.210 119.950 0.002 0.000 2.146 253 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 253 F C 2.328 178.017 175.800 -0.185 0.000 1.096 253 F CA 0.497 58.463 58.000 -0.057 0.000 1.275 253 F CB -0.689 38.355 39.000 0.074 0.000 1.008 253 F HN 0.127 nan 8.300 nan 0.000 0.480 254 C N 0.884 120.060 119.300 -0.207 0.000 2.429 254 C HA -0.075 4.385 4.460 -0.000 0.000 0.277 254 C C 3.090 177.967 174.990 -0.188 0.000 1.262 254 C CA 1.292 60.113 59.018 -0.328 0.000 1.733 254 C CB -1.885 25.857 27.740 0.004 0.000 2.010 254 C HN 0.728 nan 8.230 nan 0.000 0.483 255 G N 0.121 108.867 108.800 -0.089 0.000 2.434 255 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.214 255 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.214 255 G C 1.477 176.306 174.900 -0.118 0.000 1.202 255 G CA 0.926 45.994 45.100 -0.055 0.000 0.788 255 G HN 0.406 nan 8.290 nan 0.000 0.539 256 L N 1.632 122.756 121.223 -0.165 0.000 1.970 256 L HA 0.038 4.378 4.340 -0.000 0.000 0.212 256 L C 3.142 179.873 176.870 -0.231 0.000 1.071 256 L CA 2.492 57.233 54.840 -0.165 0.000 0.751 256 L CB -1.022 40.953 42.059 -0.139 0.000 0.889 256 L HN 0.266 nan 8.230 nan 0.000 0.432 257 A N -0.675 121.877 122.820 -0.446 0.000 1.948 257 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 257 A C 2.417 179.892 177.584 -0.182 0.000 1.177 257 A CA 2.184 53.961 52.037 -0.432 0.000 0.636 257 A CB -1.222 17.230 19.000 -0.913 0.000 0.815 257 A HN 0.645 nan 8.150 nan 0.000 0.449 258 A N -0.540 122.216 122.820 -0.107 0.000 1.930 258 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 258 A C 2.141 179.656 177.584 -0.115 0.000 1.175 258 A CA 1.383 53.384 52.037 -0.060 0.000 0.627 258 A CB -0.483 18.517 19.000 -0.001 0.000 0.815 258 A HN 0.475 nan 8.150 nan 0.000 0.443 259 L N -0.624 120.544 121.223 -0.092 0.000 2.156 259 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 259 L C 2.461 179.291 176.870 -0.068 0.000 1.095 259 L CA 0.651 55.449 54.840 -0.070 0.000 0.770 259 L CB -0.409 41.620 42.059 -0.049 0.000 0.914 259 L HN 0.234 nan 8.230 nan 0.000 0.439 260 V N 0.330 120.197 119.914 -0.078 0.000 2.343 260 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 260 V C 2.334 178.399 176.094 -0.048 0.000 1.051 260 V CA 1.748 64.019 62.300 -0.048 0.000 1.036 260 V CB -0.263 31.530 31.823 -0.050 0.000 0.654 260 V HN 0.303 nan 8.190 nan 0.000 0.451 261 I N -0.264 120.247 120.570 -0.097 0.000 2.127 261 I HA -0.270 3.900 4.170 -0.000 0.000 0.241 261 I C 2.159 178.224 176.117 -0.086 0.000 1.075 261 I CA 1.750 62.991 61.300 -0.098 0.000 1.334 261 I CB -0.392 37.503 38.000 -0.176 0.000 1.040 261 I HN 0.242 nan 8.210 nan 0.000 0.405 262 L N 0.650 121.793 121.223 -0.133 0.000 2.633 262 L HA -0.093 4.247 4.340 -0.000 0.000 0.235 262 L C 0.453 177.304 176.870 -0.031 0.000 1.163 262 L CA 0.526 55.303 54.840 -0.104 0.000 0.859 262 L CB -0.608 41.371 42.059 -0.133 0.000 0.973 262 L HN 0.312 nan 8.230 nan 0.000 0.451 263 K N 0.209 120.597 120.400 -0.021 0.000 3.125 263 K HA -0.204 4.116 4.320 -0.000 0.000 0.268 263 K C 0.116 176.718 176.600 0.005 0.000 1.078 263 K CA 0.594 56.884 56.287 0.005 0.000 0.775 263 K CB -1.437 31.076 32.500 0.020 0.000 1.253 263 K HN 0.352 nan 8.250 nan 0.000 0.486 264 K N -0.159 120.238 120.400 -0.006 0.000 2.734 264 K HA 0.056 4.376 4.320 -0.000 0.000 0.200 264 K C 0.225 176.821 176.600 -0.006 0.000 1.120 264 K CA -0.263 56.023 56.287 -0.000 0.000 1.067 264 K CB 0.669 33.171 32.500 0.004 0.000 0.771 264 K HN 0.119 nan 8.250 nan 0.000 0.481 265 E N 1.042 121.238 120.200 -0.007 0.000 2.147 265 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 265 E C 1.324 177.921 176.600 -0.005 0.000 1.005 265 E CA 1.316 57.710 56.400 -0.010 0.000 0.810 265 E CB -0.086 29.614 29.700 0.001 0.000 0.736 265 E HN 0.159 nan 8.360 nan 0.000 0.460 266 R N 0.212 120.713 120.500 0.002 0.000 2.355 266 R HA 0.034 4.374 4.340 -0.000 0.000 0.219 266 R C 1.473 177.773 176.300 -0.001 0.000 1.107 266 R CA 0.681 56.783 56.100 0.003 0.000 1.021 266 R CB -0.070 30.233 30.300 0.006 0.000 0.852 266 R HN 0.005 nan 8.270 nan 0.000 0.475 267 S N -0.029 115.668 115.700 -0.005 0.000 2.607 267 S HA 0.113 4.583 4.470 -0.000 0.000 0.224 267 S C 0.390 174.979 174.600 -0.019 0.000 0.969 267 S CA 0.420 58.616 58.200 -0.007 0.000 0.927 267 S CB 0.080 63.279 63.200 -0.002 0.000 0.772 267 S HN 0.153 nan 8.310 nan 0.000 0.533 268 L N 0.936 122.146 121.223 -0.021 0.000 2.286 268 L HA 0.500 4.840 4.340 -0.000 0.000 0.265 268 L C 0.098 176.955 176.870 -0.020 0.000 1.012 268 L CA -1.032 53.788 54.840 -0.032 0.000 0.818 268 L CB 0.683 42.717 42.059 -0.041 0.000 1.337 268 L HN -0.091 nan 8.230 nan 0.000 0.438 269 N N 1.213 119.898 118.700 -0.025 0.000 2.558 269 N HA 0.221 4.961 4.740 -0.000 0.000 0.233 269 N C 0.448 175.959 175.510 0.001 0.000 1.038 269 N CA -0.067 52.978 53.050 -0.008 0.000 0.934 269 N CB 0.692 39.173 38.487 -0.009 0.000 1.175 269 N HN 0.582 nan 8.380 nan 0.000 0.512 270 L N 2.019 123.249 121.223 0.012 0.000 2.275 270 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 270 L C 2.206 179.103 176.870 0.044 0.000 1.119 270 L CA 0.667 55.523 54.840 0.027 0.000 0.790 270 L CB -0.178 41.898 42.059 0.029 0.000 0.919 270 L HN 0.384 nan 8.230 nan 0.000 0.443 271 K N 0.499 120.922 120.400 0.040 0.000 1.967 271 K HA -0.119 4.201 4.320 -0.000 0.000 0.212 271 K C 2.415 179.054 176.600 0.064 0.000 1.044 271 K CA 1.852 58.169 56.287 0.051 0.000 0.942 271 K CB -0.654 31.872 32.500 0.042 0.000 0.726 271 K HN 0.367 nan 8.250 nan 0.000 0.440 272 S N 1.884 117.616 115.700 0.055 0.000 2.400 272 S HA -0.165 4.305 4.470 -0.000 0.000 0.232 272 S C 2.033 176.693 174.600 0.099 0.000 1.025 272 S CA 1.243 59.484 58.200 0.068 0.000 0.993 272 S CB -0.504 62.719 63.200 0.038 0.000 0.808 272 S HN 0.236 nan 8.310 nan 0.000 0.478 273 L N 1.096 122.363 121.223 0.074 0.000 2.046 273 L HA 0.134 4.474 4.340 -0.000 0.000 0.208 273 L C 2.210 179.199 176.870 0.200 0.000 1.077 273 L CA 1.524 56.431 54.840 0.111 0.000 0.747 273 L CB -1.235 40.854 42.059 0.051 0.000 0.896 273 L HN 0.383 nan 8.230 nan 0.000 0.432 274 L N 0.065 121.374 121.223 0.142 0.000 2.046 274 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 274 L C 2.689 179.648 176.870 0.149 0.000 1.077 274 L CA 2.324 57.250 54.840 0.144 0.000 0.747 274 L CB -1.089 41.040 42.059 0.117 0.000 0.896 274 L HN 0.679 nan 8.230 nan 0.000 0.432 275 Q N -1.376 118.508 119.800 0.141 0.000 2.119 275 Q HA -0.281 4.059 4.340 -0.000 0.000 0.201 275 Q C 2.224 178.305 176.000 0.136 0.000 0.972 275 Q CA 2.104 57.980 55.803 0.122 0.000 0.847 275 Q CB -0.901 27.902 28.738 0.108 0.000 0.903 275 Q HN 0.666 nan 8.270 nan 0.000 0.433 276 W N 1.124 122.425 121.300 0.003 0.000 2.380 276 W HA -0.188 4.471 4.660 -0.000 0.000 0.317 276 W C 2.248 178.771 176.519 0.006 0.000 1.196 276 W CA 2.148 59.479 57.345 -0.022 0.000 1.307 276 W CB -0.713 28.706 29.460 -0.067 0.000 1.157 276 W HN -0.007 nan 8.180 nan 0.000 0.483 277 V N 1.416 121.366 119.914 0.059 0.000 2.287 277 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 277 V C 2.513 178.565 176.094 -0.070 0.000 1.053 277 V CA 3.516 65.719 62.300 -0.161 0.000 1.027 277 V CB -1.288 30.574 31.823 0.064 0.000 0.646 277 V HN 0.499 nan 8.190 nan 0.000 0.447 278 T N -2.991 111.594 114.554 0.053 0.000 2.929 278 T HA -0.142 4.207 4.350 -0.000 0.000 0.271 278 T C 1.799 176.501 174.700 0.004 0.000 1.085 278 T CA 1.736 63.903 62.100 0.112 0.000 1.125 278 T CB -0.522 68.424 68.868 0.129 0.000 0.874 278 T HN 0.479 nan 8.240 nan 0.000 0.494 279 S N 1.005 116.648 115.700 -0.096 0.000 2.489 279 S HA 0.106 4.576 4.470 -0.000 0.000 0.228 279 S C 1.959 176.424 174.600 -0.224 0.000 0.995 279 S CA -0.003 58.112 58.200 -0.141 0.000 0.934 279 S CB -0.146 62.967 63.200 -0.145 0.000 0.771 279 S HN 0.444 nan 8.310 nan 0.000 0.522 280 R N 1.386 121.719 120.500 -0.278 0.000 2.307 280 R HA 0.122 4.462 4.340 -0.000 0.000 0.199 280 R C 0.908 177.055 176.300 -0.254 0.000 1.000 280 R CA 0.144 56.089 56.100 -0.259 0.000 1.023 280 R CB -0.355 29.761 30.300 -0.308 0.000 0.908 280 R HN 0.518 nan 8.270 nan 0.000 0.473 281 Q N 0.986 120.487 119.800 -0.498 0.000 2.267 281 Q HA 0.155 4.495 4.340 -0.000 0.000 0.255 281 Q C -0.526 175.216 176.000 -0.431 0.000 0.923 281 Q CA -0.372 54.857 55.803 -0.956 0.000 0.925 281 Q CB 0.834 28.914 28.738 -1.096 0.000 1.195 281 Q HN -0.151 nan 8.270 nan 0.000 0.417 282 M N 4.964 124.349 119.600 -0.359 0.000 2.220 282 M HA 0.070 4.550 4.480 -0.000 0.000 0.343 282 M C 1.177 177.435 176.300 -0.071 0.000 1.470 282 M CA 0.443 55.645 55.300 -0.164 0.000 1.161 282 M CB 0.225 32.748 32.600 -0.128 0.000 1.737 282 M HN 0.736 nan 8.290 nan 0.000 0.464 283 R N 1.950 122.432 120.500 -0.030 0.000 2.119 283 R HA -0.216 4.124 4.340 -0.000 0.000 0.246 283 R C 1.528 177.846 176.300 0.029 0.000 1.146 283 R CA 1.881 57.988 56.100 0.011 0.000 0.962 283 R CB -0.700 29.605 30.300 0.009 0.000 0.863 283 R HN 0.550 nan 8.270 nan 0.000 0.442 284 F N 1.641 121.555 119.950 -0.061 0.000 2.262 284 F HA 0.086 4.613 4.527 0.000 0.000 0.292 284 F C 1.750 177.713 175.800 0.272 0.000 1.081 284 F CA 1.084 59.053 58.000 -0.052 0.000 1.355 284 F CB 0.347 39.300 39.000 -0.079 0.000 1.069 284 F HN -0.040 nan 8.300 nan 0.000 0.506 285 E N -0.286 120.131 120.200 0.361 0.000 2.170 285 E HA 0.172 4.521 4.350 -0.000 0.000 0.191 285 E C 1.812 178.586 176.600 0.290 0.000 0.981 285 E CA 0.981 57.587 56.400 0.344 0.000 0.830 285 E CB -0.237 29.550 29.700 0.145 0.000 0.775 285 E HN 0.486 nan 8.360 nan 0.000 0.470 286 G N 0.027 108.884 108.800 0.095 0.000 2.284 286 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.230 286 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.230 286 G C 0.682 175.524 174.900 -0.097 0.000 1.021 286 G CA -0.098 45.037 45.100 0.060 0.000 0.619 286 G HN 0.602 nan 8.290 nan 0.000 0.510 287 G N -0.532 108.068 108.800 -0.333 0.000 2.543 287 G HA2 0.614 4.574 3.960 -0.000 0.000 0.290 287 G HA3 0.614 4.574 3.960 -0.000 0.000 0.290 287 G C -0.431 174.235 174.900 -0.390 0.000 1.310 287 G CA -0.688 44.164 45.100 -0.413 0.000 1.025 287 G HN 0.277 nan 8.290 nan 0.000 0.502 288 F N -0.670 119.161 119.950 -0.198 0.000 2.440 288 F HA 0.432 4.959 4.527 -0.000 0.000 0.328 288 F C 0.772 176.468 175.800 -0.174 0.000 1.070 288 F CA -0.526 57.370 58.000 -0.173 0.000 1.011 288 F CB 1.983 40.893 39.000 -0.150 0.000 1.226 288 F HN 0.487 nan 8.300 nan 0.000 0.491 289 Q N 0.239 120.006 119.800 -0.054 0.000 2.301 289 Q HA 0.575 4.915 4.340 -0.000 0.000 0.267 289 Q C 0.260 175.935 176.000 -0.541 0.000 1.035 289 Q CA -0.717 54.944 55.803 -0.235 0.000 0.856 289 Q CB 1.931 30.543 28.738 -0.209 0.000 1.337 289 Q HN 0.807 nan 8.270 nan 0.000 0.450 290 G N 1.489 109.706 108.800 -0.972 0.000 2.494 290 G HA2 0.038 3.998 3.960 -0.000 0.000 0.216 290 G HA3 0.038 3.998 3.960 -0.000 0.000 0.216 290 G C 0.303 174.803 174.900 -0.667 0.000 1.140 290 G CA 0.007 44.258 45.100 -1.415 0.000 0.801 290 G HN 0.470 nan 8.290 nan 0.000 0.536 291 R N -1.591 118.680 120.500 -0.382 0.000 2.740 291 R HA 0.352 4.692 4.340 -0.000 0.000 0.273 291 R C -1.092 175.150 176.300 -0.096 0.000 0.998 291 R CA -0.843 55.188 56.100 -0.116 0.000 0.900 291 R CB 1.655 31.939 30.300 -0.027 0.000 1.223 291 R HN 0.079 nan 8.270 nan 0.000 0.466 292 C N 2.798 122.090 119.300 -0.012 0.000 2.563 292 C HA -0.002 4.458 4.460 -0.000 0.000 0.411 292 C C 0.800 175.782 174.990 -0.013 0.000 1.386 292 C CA 0.697 59.696 59.018 -0.032 0.000 1.703 292 C CB -1.014 26.749 27.740 0.038 0.000 2.596 292 C HN 0.957 nan 8.230 nan 0.000 0.605 293 N N 2.215 120.895 118.700 -0.033 0.000 2.776 293 N HA -0.120 4.620 4.740 -0.000 0.000 0.250 293 N C -0.355 175.143 175.510 -0.020 0.000 1.112 293 N CA 1.174 54.214 53.050 -0.016 0.000 0.733 293 N CB -0.495 38.001 38.487 0.016 0.000 1.097 293 N HN 0.737 nan 8.380 nan 0.000 0.558 294 K N -0.046 120.326 120.400 -0.047 0.000 2.400 294 K HA 0.594 4.914 4.320 -0.000 0.000 0.249 294 K C 0.936 177.506 176.600 -0.050 0.000 1.069 294 K CA -0.540 55.722 56.287 -0.040 0.000 0.965 294 K CB 0.599 33.062 32.500 -0.061 0.000 1.365 294 K HN 0.024 nan 8.250 nan 0.000 0.539 295 L N 0.571 121.775 121.223 -0.031 0.000 2.365 295 L HA 0.435 4.775 4.340 -0.000 0.000 0.267 295 L C 0.166 177.020 176.870 -0.027 0.000 1.033 295 L CA -1.406 53.419 54.840 -0.025 0.000 0.802 295 L CB 1.108 43.169 42.059 0.004 0.000 1.267 295 L HN 0.188 nan 8.230 nan 0.000 0.457 296 V N -0.988 118.904 119.914 -0.037 0.000 3.096 296 V HA 0.285 4.405 4.120 -0.000 0.000 0.306 296 V C -0.472 175.663 176.094 0.067 0.000 1.088 296 V CA -0.182 62.080 62.300 -0.064 0.000 1.129 296 V CB 0.925 32.613 31.823 -0.226 0.000 1.014 296 V HN 0.792 nan 8.190 nan 0.000 0.486 297 D N 1.054 121.552 120.400 0.163 0.000 2.804 297 D HA 0.341 4.981 4.640 -0.000 0.000 0.209 297 D C 0.883 177.387 176.300 0.341 0.000 1.314 297 D CA 0.148 54.332 54.000 0.306 0.000 0.894 297 D CB 1.663 42.739 40.800 0.460 0.000 1.615 297 D HN 0.637 nan 8.370 nan 0.000 0.571 298 G N 1.925 110.936 108.800 0.352 0.000 2.507 298 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.221 298 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.221 298 G C 1.715 176.754 174.900 0.230 0.000 1.119 298 G CA 1.420 46.729 45.100 0.348 0.000 0.751 298 G HN 0.766 nan 8.290 nan 0.000 0.574 299 C N -1.770 117.642 119.300 0.187 0.000 2.432 299 C HA 0.160 4.620 4.460 -0.000 0.000 0.282 299 C C 2.259 177.118 174.990 -0.217 0.000 1.388 299 C CA -0.002 58.921 59.018 -0.159 0.000 1.777 299 C CB -1.564 25.936 27.740 -0.400 0.000 1.882 299 C HN 0.423 nan 8.230 nan 0.000 0.520 300 Y N 1.973 122.361 120.300 0.147 0.000 2.578 300 Y HA 0.025 4.575 4.550 -0.000 0.000 0.297 300 Y C 2.625 178.499 175.900 -0.044 0.000 1.176 300 Y CA 0.745 58.900 58.100 0.092 0.000 1.315 300 Y CB -0.260 38.255 38.460 0.090 0.000 1.031 300 Y HN 0.317 nan 8.280 nan 0.000 0.524 301 S N -0.356 115.415 115.700 0.118 0.000 2.447 301 S HA -0.148 4.322 4.470 -0.000 0.000 0.233 301 S C 1.499 176.056 174.600 -0.071 0.000 1.006 301 S CA 1.047 59.303 58.200 0.092 0.000 0.957 301 S CB -0.239 63.075 63.200 0.190 0.000 0.773 301 S HN 0.584 nan 8.310 nan 0.000 0.507 302 F N -0.034 119.761 119.950 -0.259 0.000 2.419 302 F HA 0.245 4.772 4.527 -0.000 0.000 0.283 302 F C 1.454 176.990 175.800 -0.440 0.000 1.044 302 F CA -0.109 57.664 58.000 -0.378 0.000 1.376 302 F CB -0.434 38.300 39.000 -0.442 0.000 1.131 302 F HN 0.141 nan 8.300 nan 0.000 0.585 303 W N 1.090 122.158 121.300 -0.387 0.000 2.338 303 W HA -0.182 4.478 4.660 -0.000 0.000 0.304 303 W C 2.324 178.629 176.519 -0.357 0.000 1.212 303 W CA 0.990 58.066 57.345 -0.447 0.000 1.264 303 W CB -0.314 29.054 29.460 -0.153 0.000 1.142 303 W HN 0.057 nan 8.180 nan 0.000 0.512 304 Q N -0.339 119.343 119.800 -0.197 0.000 2.107 304 Q HA 0.055 4.395 4.340 -0.000 0.000 0.195 304 Q C 2.432 177.889 176.000 -0.905 0.000 0.964 304 Q CA 1.369 56.874 55.803 -0.497 0.000 0.833 304 Q CB -1.107 27.235 28.738 -0.659 0.000 0.910 304 Q HN 0.281 nan 8.270 nan 0.000 0.465 305 A N 1.103 123.166 122.820 -1.261 0.000 1.969 305 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 305 A C 2.219 179.378 177.584 -0.708 0.000 1.169 305 A CA 1.570 52.844 52.037 -1.272 0.000 0.635 305 A CB -0.928 17.342 19.000 -1.216 0.000 0.810 305 A HN 0.430 nan 8.150 nan 0.000 0.445 306 G N -0.408 107.984 108.800 -0.680 0.000 2.498 306 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.219 306 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.219 306 G C 1.345 176.067 174.900 -0.296 0.000 1.119 306 G CA 0.775 45.520 45.100 -0.593 0.000 0.766 306 G HN 0.466 nan 8.290 nan 0.000 0.552 307 L N -0.366 120.714 121.223 -0.237 0.000 2.376 307 L HA 0.125 4.464 4.340 -0.000 0.000 0.219 307 L C 2.607 179.436 176.870 -0.069 0.000 1.133 307 L CA 0.111 54.898 54.840 -0.090 0.000 0.816 307 L CB -0.148 41.893 42.059 -0.030 0.000 0.933 307 L HN 0.218 nan 8.230 nan 0.000 0.449 308 L N -0.359 120.801 121.223 -0.104 0.000 2.068 308 L HA -0.066 4.274 4.340 -0.000 0.000 0.204 308 L C -0.228 176.593 176.870 -0.082 0.000 1.076 308 L CA 1.036 55.899 54.840 0.038 0.000 0.753 308 L CB -1.549 40.663 42.059 0.254 0.000 0.910 308 L HN 0.152 nan 8.230 nan 0.000 0.439 309 P HA -0.166 nan 4.420 nan 0.000 0.217 309 P C 1.924 179.139 177.300 -0.142 0.000 1.150 309 P CA 1.338 63.993 63.100 -0.742 0.000 0.832 309 P CB 0.074 31.223 31.700 -0.919 0.000 0.787 310 L N -1.439 119.733 121.223 -0.084 0.000 2.046 310 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 310 L C 2.296 179.199 176.870 0.056 0.000 1.077 310 L CA 1.405 56.247 54.840 0.003 0.000 0.747 310 L CB -0.936 41.104 42.059 -0.030 0.000 0.896 310 L HN -0.008 nan 8.230 nan 0.000 0.432 311 L N -1.395 119.870 121.223 0.069 0.000 2.551 311 L HA -0.161 4.179 4.340 -0.000 0.000 0.228 311 L C 2.257 179.230 176.870 0.171 0.000 1.153 311 L CA 0.300 55.205 54.840 0.108 0.000 0.851 311 L CB -0.381 41.744 42.059 0.110 0.000 0.959 311 L HN 0.284 nan 8.230 nan 0.000 0.451 312 H N 0.058 119.220 119.070 0.154 0.000 2.294 312 H HA -0.020 4.536 4.556 -0.000 0.000 0.306 312 H C 2.345 177.802 175.328 0.215 0.000 1.065 312 H CA 1.474 57.673 56.048 0.252 0.000 1.343 312 H CB 0.245 30.263 29.762 0.426 0.000 1.396 312 H HN 0.011 nan 8.280 nan 0.000 0.506 313 R N 0.223 120.905 120.500 0.302 0.000 2.122 313 R HA -0.239 4.101 4.340 -0.000 0.000 0.236 313 R C 2.496 178.907 176.300 0.185 0.000 1.129 313 R CA 1.509 57.754 56.100 0.242 0.000 0.925 313 R CB -0.741 29.667 30.300 0.179 0.000 0.850 313 R HN 0.368 nan 8.270 nan 0.000 0.431 314 A N 1.345 124.241 122.820 0.127 0.000 1.881 314 A HA -0.242 4.077 4.320 -0.000 0.000 0.219 314 A C 2.275 179.903 177.584 0.075 0.000 1.215 314 A CA 1.931 54.017 52.037 0.082 0.000 0.648 314 A CB -0.967 18.069 19.000 0.059 0.000 0.832 314 A HN 0.267 nan 8.150 nan 0.000 0.455 315 L N -1.652 119.616 121.223 0.076 0.000 2.046 315 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 315 L C 2.761 179.675 176.870 0.074 0.000 1.077 315 L CA 1.724 56.596 54.840 0.053 0.000 0.747 315 L CB -0.846 41.228 42.059 0.026 0.000 0.896 315 L HN 0.713 nan 8.230 nan 0.000 0.432 316 H N 0.543 119.617 119.070 0.008 0.000 2.423 316 H HA -0.113 4.443 4.556 -0.000 0.000 0.297 316 H C 2.083 177.435 175.328 0.041 0.000 1.075 316 H CA 1.197 57.262 56.048 0.028 0.000 1.342 316 H CB 0.398 30.202 29.762 0.069 0.000 1.395 316 H HN 0.312 nan 8.280 nan 0.000 0.530 317 A N 1.415 124.222 122.820 -0.021 0.000 1.940 317 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 317 A C 2.043 179.574 177.584 -0.088 0.000 1.176 317 A CA 1.620 53.612 52.037 -0.075 0.000 0.631 317 A CB -0.482 18.531 19.000 0.022 0.000 0.814 317 A HN 0.774 nan 8.150 nan 0.000 0.446 318 Q N -0.799 118.974 119.800 -0.045 0.000 2.297 318 Q HA 0.410 4.750 4.340 -0.000 0.000 0.265 318 Q C 0.589 176.562 176.000 -0.046 0.000 0.904 318 Q CA 0.002 55.784 55.803 -0.034 0.000 0.969 318 Q CB -0.782 27.952 28.738 -0.007 0.000 1.115 318 Q HN 0.740 nan 8.270 nan 0.000 0.433 319 G N 1.974 110.711 108.800 -0.104 0.000 2.372 319 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.290 319 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.290 319 G C -0.760 174.131 174.900 -0.015 0.000 0.965 319 G CA 0.410 45.455 45.100 -0.092 0.000 1.263 319 G HN 0.575 nan 8.290 nan 0.000 0.498 320 D N 0.304 120.717 120.400 0.021 0.000 2.277 320 D HA 0.384 5.024 4.640 -0.000 0.000 0.249 320 D C -0.490 175.854 176.300 0.074 0.000 1.134 320 D CA -1.874 52.153 54.000 0.044 0.000 0.863 320 D CB 1.440 42.263 40.800 0.039 0.000 1.143 320 D HN 0.159 nan 8.370 nan 0.000 0.458 321 P HA 0.080 nan 4.420 nan 0.000 0.216 321 P C 0.779 178.112 177.300 0.055 0.000 1.156 321 P CA 0.502 63.638 63.100 0.060 0.000 0.855 321 P CB 0.204 31.929 31.700 0.042 0.000 0.786 322 A N -0.629 122.217 122.820 0.043 0.000 2.259 322 A HA -0.020 4.300 4.320 -0.000 0.000 0.212 322 A C 0.846 178.455 177.584 0.042 0.000 1.178 322 A CA 0.460 52.520 52.037 0.038 0.000 0.734 322 A CB -1.471 17.549 19.000 0.033 0.000 0.774 322 A HN 0.148 nan 8.150 nan 0.000 0.481 323 L N 0.469 121.720 121.223 0.046 0.000 2.349 323 L HA 0.191 4.531 4.340 -0.000 0.000 0.275 323 L C 1.057 177.997 176.870 0.117 0.000 1.115 323 L CA -0.414 54.454 54.840 0.047 0.000 0.820 323 L CB 1.228 43.254 42.059 -0.054 0.000 1.135 323 L HN 0.254 nan 8.230 nan 0.000 0.445 324 S N 2.739 118.535 115.700 0.160 0.000 2.573 324 S HA 0.135 4.605 4.470 -0.000 0.000 0.277 324 S C 0.809 175.449 174.600 0.066 0.000 1.346 324 S CA -0.343 57.884 58.200 0.046 0.000 1.034 324 S CB 0.548 63.706 63.200 -0.070 0.000 0.879 324 S HN 0.579 nan 8.310 nan 0.000 0.528 325 M N 3.124 122.651 119.600 -0.121 0.000 2.346 325 M HA 0.165 4.645 4.480 -0.000 0.000 0.280 325 M C 1.106 177.193 176.300 -0.355 0.000 1.075 325 M CA 0.163 55.436 55.300 -0.046 0.000 0.989 325 M CB -0.459 32.137 32.600 -0.006 0.000 1.447 325 M HN 0.815 nan 8.290 nan 0.000 0.511 326 S N -2.136 112.918 115.700 -1.077 0.000 2.648 326 S HA 0.252 4.722 4.470 -0.000 0.000 0.270 326 S C 0.491 173.680 174.600 -2.351 0.000 1.082 326 S CA -0.293 57.052 58.200 -1.426 0.000 1.116 326 S CB 0.863 63.524 63.200 -0.899 0.000 1.040 326 S HN 0.379 nan 8.310 nan 0.000 0.572 327 H N -0.922 116.958 119.070 -1.983 0.000 2.949 327 H HA 0.482 5.038 4.556 -0.000 0.000 0.356 327 H C -1.388 173.438 175.328 -0.837 0.000 1.212 327 H CA -1.106 54.120 56.048 -1.371 0.000 1.136 327 H CB 0.625 29.924 29.762 -0.771 0.000 1.869 327 H HN 0.312 nan 8.280 nan 0.000 0.556 328 W N 0.697 121.955 121.300 -0.070 0.000 2.359 328 W HA 0.335 4.995 4.660 -0.000 0.000 0.344 328 W C 0.940 177.483 176.519 0.041 0.000 1.170 328 W CA -0.777 56.616 57.345 0.080 0.000 1.296 328 W CB 0.794 30.296 29.460 0.070 0.000 1.197 328 W HN 0.283 nan 8.180 nan 0.000 0.618 329 M N 3.695 123.624 119.600 0.548 0.000 3.700 329 M HA 0.142 4.622 4.480 -0.000 0.000 0.190 329 M C -1.091 175.465 176.300 0.426 0.000 1.422 329 M CA 0.441 55.965 55.300 0.374 0.000 1.646 329 M CB -1.291 31.520 32.600 0.352 0.000 1.154 329 M HN 0.315 nan 8.290 nan 0.000 0.506 330 F N -3.518 116.570 119.950 0.229 0.000 2.693 330 F HA 0.395 4.922 4.527 -0.000 0.000 0.309 330 F C -0.822 175.050 175.800 0.119 0.000 1.129 330 F CA -1.513 56.616 58.000 0.216 0.000 0.948 330 F CB 0.897 40.134 39.000 0.395 0.000 1.315 330 F HN -0.030 nan 8.300 nan 0.000 0.447 331 H N 2.183 121.345 119.070 0.153 0.000 3.232 331 H HA 0.202 4.758 4.556 -0.000 0.000 0.254 331 H C 0.836 176.110 175.328 -0.090 0.000 1.213 331 H CA 0.479 56.458 56.048 -0.115 0.000 1.503 331 H CB 0.929 30.599 29.762 -0.152 0.000 1.563 331 H HN 0.754 nan 8.280 nan 0.000 0.490 332 Q N 2.352 121.942 119.800 -0.350 0.000 2.124 332 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 332 Q C 2.177 178.207 176.000 0.051 0.000 0.977 332 Q CA 1.520 57.199 55.803 -0.206 0.000 0.850 332 Q CB 0.137 28.663 28.738 -0.353 0.000 0.901 332 Q HN 0.743 nan 8.270 nan 0.000 0.429 333 Q N -0.082 119.731 119.800 0.022 0.000 1.967 333 Q HA -0.201 4.138 4.340 -0.000 0.000 0.202 333 Q C 2.082 178.159 176.000 0.128 0.000 0.985 333 Q CA 1.482 57.329 55.803 0.073 0.000 0.839 333 Q CB -0.238 28.526 28.738 0.044 0.000 0.906 333 Q HN 0.425 nan 8.270 nan 0.000 0.423 334 A N 0.912 123.800 122.820 0.113 0.000 1.917 334 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 334 A C 2.005 179.702 177.584 0.188 0.000 1.182 334 A CA 1.625 53.687 52.037 0.043 0.000 0.633 334 A CB -0.843 18.040 19.000 -0.195 0.000 0.819 334 A HN 0.504 nan 8.150 nan 0.000 0.448 335 L N -0.477 120.912 121.223 0.276 0.000 2.141 335 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 335 L C 2.358 179.425 176.870 0.328 0.000 1.094 335 L CA 2.089 57.143 54.840 0.357 0.000 0.763 335 L CB -0.446 41.927 42.059 0.524 0.000 0.908 335 L HN 0.501 nan 8.230 nan 0.000 0.437 336 Q N -0.883 119.068 119.800 0.252 0.000 2.187 336 Q HA -0.134 4.206 4.340 -0.000 0.000 0.199 336 Q C 1.957 178.046 176.000 0.147 0.000 0.957 336 Q CA 1.351 57.265 55.803 0.186 0.000 0.857 336 Q CB 0.028 28.845 28.738 0.132 0.000 0.929 336 Q HN 0.639 nan 8.270 nan 0.000 0.453 337 E N 0.088 120.372 120.200 0.141 0.000 2.028 337 E HA -0.195 4.155 4.350 -0.000 0.000 0.190 337 E C 1.679 178.384 176.600 0.175 0.000 0.984 337 E CA 0.859 57.321 56.400 0.104 0.000 0.800 337 E CB -0.188 29.524 29.700 0.021 0.000 0.758 337 E HN 0.273 nan 8.360 nan 0.000 0.448 338 Y N 2.076 122.481 120.300 0.176 0.000 2.040 338 Y HA -0.317 4.233 4.550 -0.000 0.000 0.275 338 Y C 2.018 178.011 175.900 0.154 0.000 1.171 338 Y CA 1.821 60.043 58.100 0.204 0.000 1.123 338 Y CB -0.378 38.187 38.460 0.176 0.000 0.963 338 Y HN -0.037 nan 8.280 nan 0.000 0.493 339 I N -0.431 120.185 120.570 0.077 0.000 2.099 339 I HA -0.361 3.809 4.170 -0.000 0.000 0.239 339 I C 2.470 178.570 176.117 -0.029 0.000 1.066 339 I CA 1.759 63.064 61.300 0.009 0.000 1.324 339 I CB -0.774 37.313 38.000 0.146 0.000 1.037 339 I HN 0.280 nan 8.210 nan 0.000 0.401 340 L N -0.223 121.022 121.223 0.037 0.000 2.012 340 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 340 L C 2.706 179.595 176.870 0.032 0.000 1.073 340 L CA 1.614 56.482 54.840 0.047 0.000 0.748 340 L CB -0.407 41.689 42.059 0.061 0.000 0.891 340 L HN 0.279 nan 8.230 nan 0.000 0.431 341 M N -1.558 118.064 119.600 0.037 0.000 2.134 341 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 341 M C 2.279 178.553 176.300 -0.043 0.000 1.076 341 M CA 1.437 56.781 55.300 0.074 0.000 1.143 341 M CB -0.236 32.494 32.600 0.218 0.000 1.346 341 M HN 0.385 nan 8.290 nan 0.000 0.421 342 C N -1.234 117.943 119.300 -0.206 0.000 2.551 342 C HA 0.070 4.530 4.460 -0.000 0.000 0.277 342 C C 2.071 176.862 174.990 -0.331 0.000 1.349 342 C CA -0.340 58.470 59.018 -0.346 0.000 1.750 342 C CB -0.598 26.785 27.740 -0.595 0.000 2.058 342 C HN 0.591 nan 8.230 nan 0.000 0.518 343 C N 0.706 119.815 119.300 -0.319 0.000 2.688 343 C HA 0.238 4.698 4.460 -0.000 0.000 0.297 343 C C 0.578 175.512 174.990 -0.092 0.000 1.308 343 C CA -0.187 58.722 59.018 -0.182 0.000 1.726 343 C CB -2.250 25.415 27.740 -0.124 0.000 1.982 343 C HN 0.615 nan 8.230 nan 0.000 0.604 344 Q N 0.386 120.152 119.800 -0.057 0.000 2.271 344 Q HA 0.445 4.784 4.340 -0.000 0.000 0.258 344 Q C -0.655 175.352 176.000 0.012 0.000 0.936 344 Q CA -0.158 55.658 55.803 0.022 0.000 0.909 344 Q CB 1.155 29.950 28.738 0.095 0.000 1.253 344 Q HN 0.542 nan 8.270 nan 0.000 0.440 345 C N 6.516 125.834 119.300 0.031 0.000 2.347 345 C HA 0.455 4.915 4.460 -0.000 0.000 0.353 345 C C -1.461 173.537 174.990 0.013 0.000 1.273 345 C CA -2.002 57.000 59.018 -0.028 0.000 1.861 345 C CB 0.236 27.903 27.740 -0.121 0.000 2.420 345 C HN 0.828 nan 8.230 nan 0.000 0.542 346 P HA -0.127 nan 4.420 nan 0.000 0.216 346 P C 1.273 178.557 177.300 -0.027 0.000 1.157 346 P CA 2.410 65.495 63.100 -0.025 0.000 0.880 346 P CB 0.056 31.735 31.700 -0.035 0.000 0.791 347 A N -1.385 121.408 122.820 -0.046 0.000 2.209 347 A HA 0.402 4.721 4.320 -0.000 0.000 0.212 347 A C 1.068 178.622 177.584 -0.051 0.000 1.158 347 A CA 1.030 53.039 52.037 -0.048 0.000 0.742 347 A CB -1.116 17.840 19.000 -0.072 0.000 0.790 347 A HN 0.373 nan 8.150 nan 0.000 0.472 348 G N -3.162 105.622 108.800 -0.027 0.000 2.576 348 G HA2 0.540 4.500 3.960 -0.000 0.000 0.686 348 G HA3 0.540 4.500 3.960 -0.000 0.000 0.686 348 G C 0.364 175.119 174.900 -0.242 0.000 1.242 348 G CA -0.187 44.974 45.100 0.101 0.000 0.819 348 G HN 2.403 nan 8.290 nan 0.000 0.655 349 G N -0.542 108.236 108.800 -0.036 0.000 2.712 349 G HA2 0.361 4.321 3.960 -0.000 0.000 0.686 349 G HA3 0.361 4.321 3.960 -0.000 0.000 0.686 349 G C -0.471 174.283 174.900 -0.243 0.000 1.321 349 G CA -0.175 44.801 45.100 -0.206 0.000 0.813 349 G HN 1.581 nan 8.290 nan 0.000 0.599 350 L N 0.287 121.408 121.223 -0.171 0.000 2.298 350 L HA 0.951 5.291 4.340 -0.000 0.000 0.268 350 L C 0.609 177.432 176.870 -0.078 0.000 1.010 350 L CA -0.673 54.085 54.840 -0.137 0.000 0.812 350 L CB 1.252 43.232 42.059 -0.132 0.000 1.331 350 L HN 1.163 nan 8.230 nan 0.000 0.450 351 L N -2.572 118.597 121.223 -0.090 0.000 2.630 351 L HA 0.586 4.926 4.340 -0.000 0.000 0.258 351 L C 0.590 177.308 176.870 -0.253 0.000 1.072 351 L CA -0.633 54.092 54.840 -0.191 0.000 0.885 351 L CB 0.387 42.334 42.059 -0.186 0.000 1.502 351 L HN 0.413 nan 8.230 nan 0.000 0.406 352 D N 0.477 120.532 120.400 -0.575 0.000 2.108 352 D HA -0.161 4.479 4.640 -0.000 0.000 0.190 352 D C 0.065 176.364 176.300 -0.002 0.000 0.995 352 D CA 2.643 56.436 54.000 -0.345 0.000 0.834 352 D CB 0.343 40.931 40.800 -0.354 0.000 0.967 352 D HN 0.755 nan 8.370 nan 0.000 0.446 353 K N -1.861 118.521 120.400 -0.030 0.000 2.617 353 K HA 0.441 4.761 4.320 -0.000 0.000 0.293 353 K C -2.920 173.655 176.600 -0.043 0.000 1.034 353 K CA -1.455 54.861 56.287 0.049 0.000 0.884 353 K CB 1.498 34.073 32.500 0.124 0.000 1.541 353 K HN -0.222 nan 8.250 nan 0.000 0.409 354 P HA -0.020 nan 4.420 nan 0.000 0.264 354 P C 0.535 177.796 177.300 -0.065 0.000 1.193 354 P CA 1.629 64.681 63.100 -0.080 0.000 0.763 354 P CB 0.687 32.330 31.700 -0.095 0.000 0.810 355 G N 2.411 111.168 108.800 -0.071 0.000 2.399 355 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 355 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 355 G C 0.188 175.049 174.900 -0.065 0.000 1.096 355 G CA -0.323 44.740 45.100 -0.062 0.000 0.650 355 G HN 0.529 nan 8.290 nan 0.000 0.512 356 K N 1.709 122.064 120.400 -0.075 0.000 2.336 356 K HA 0.506 4.826 4.320 -0.000 0.000 0.262 356 K C 0.621 177.159 176.600 -0.103 0.000 0.992 356 K CA 0.191 56.424 56.287 -0.091 0.000 0.927 356 K CB 0.702 33.126 32.500 -0.127 0.000 0.956 356 K HN 0.326 nan 8.250 nan 0.000 0.495 357 S N 0.877 116.519 115.700 -0.096 0.000 2.632 357 S HA 0.249 4.719 4.470 -0.000 0.000 0.271 357 S C 0.313 174.850 174.600 -0.106 0.000 1.260 357 S CA -0.801 57.343 58.200 -0.093 0.000 1.010 357 S CB 0.935 64.091 63.200 -0.074 0.000 0.965 357 S HN 0.518 nan 8.310 nan 0.000 0.534 358 R N 0.778 121.211 120.500 -0.111 0.000 2.459 358 R HA 0.545 4.885 4.340 -0.000 0.000 0.281 358 R C -1.268 175.001 176.300 -0.052 0.000 1.050 358 R CA -0.477 55.555 56.100 -0.114 0.000 1.055 358 R CB 0.204 30.366 30.300 -0.231 0.000 1.045 358 R HN 0.778 nan 8.270 nan 0.000 0.495 359 D N 0.615 121.014 120.400 -0.003 0.000 2.653 359 D HA 0.135 4.774 4.640 -0.000 0.000 0.258 359 D C -0.281 175.955 176.300 -0.106 0.000 1.252 359 D CA -0.859 53.103 54.000 -0.063 0.000 0.777 359 D CB 0.276 41.115 40.800 0.065 0.000 1.339 359 D HN 0.398 nan 8.370 nan 0.000 0.422 360 F N -0.851 119.211 119.950 0.187 0.000 2.365 360 F HA -0.041 4.486 4.527 0.000 0.000 0.300 360 F C 1.818 177.424 175.800 -0.323 0.000 1.090 360 F CA 0.356 58.362 58.000 0.010 0.000 1.408 360 F CB -0.323 38.764 39.000 0.145 0.000 1.060 360 F HN 0.441 nan 8.300 nan 0.000 0.534 361 Y N 0.459 120.359 120.300 -0.668 0.000 2.184 361 Y HA -0.195 4.355 4.550 -0.000 0.000 0.290 361 Y C 2.334 177.931 175.900 -0.506 0.000 1.129 361 Y CA 1.798 59.191 58.100 -1.177 0.000 1.144 361 Y CB -0.853 36.885 38.460 -1.203 0.000 0.995 361 Y HN 0.026 nan 8.280 nan 0.000 0.513 362 H N -1.127 117.745 119.070 -0.329 0.000 2.462 362 H HA -0.055 4.500 4.556 -0.000 0.000 0.292 362 H C 2.130 177.314 175.328 -0.240 0.000 1.049 362 H CA 1.762 57.642 56.048 -0.281 0.000 1.334 362 H CB -0.097 29.615 29.762 -0.082 0.000 1.404 362 H HN 0.296 nan 8.280 nan 0.000 0.544 363 T N -0.508 113.995 114.554 -0.084 0.000 2.701 363 T HA -0.230 4.120 4.350 -0.000 0.000 0.263 363 T C 2.322 176.902 174.700 -0.200 0.000 1.040 363 T CA 1.384 63.435 62.100 -0.082 0.000 1.147 363 T CB -0.699 68.218 68.868 0.081 0.000 0.865 363 T HN 0.587 nan 8.240 nan 0.000 0.426 364 C N 0.548 119.661 119.300 -0.313 0.000 2.422 364 C HA -0.070 4.390 4.460 -0.000 0.000 0.279 364 C C 2.266 176.828 174.990 -0.712 0.000 1.305 364 C CA 0.422 59.147 59.018 -0.489 0.000 1.757 364 C CB -1.523 25.890 27.740 -0.545 0.000 1.962 364 C HN 0.645 nan 8.230 nan 0.000 0.499 365 Y N -0.914 119.119 120.300 -0.445 0.000 2.476 365 Y HA 0.077 4.627 4.550 -0.000 0.000 0.283 365 Y C 2.821 178.568 175.900 -0.254 0.000 1.109 365 Y CA 0.996 58.806 58.100 -0.484 0.000 1.246 365 Y CB -0.397 37.585 38.460 -0.796 0.000 1.068 365 Y HN 0.341 nan 8.280 nan 0.000 0.552 366 C N -0.051 119.208 119.300 -0.069 0.000 2.466 366 C HA -0.103 4.357 4.460 -0.000 0.000 0.278 366 C C 2.627 177.621 174.990 0.006 0.000 1.288 366 C CA 0.819 59.848 59.018 0.020 0.000 1.722 366 C CB -1.096 26.654 27.740 0.018 0.000 2.017 366 C HN 0.515 nan 8.230 nan 0.000 0.488 367 L N 0.331 121.511 121.223 -0.073 0.000 2.027 367 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 367 L C 2.678 179.525 176.870 -0.037 0.000 1.074 367 L CA 1.446 56.248 54.840 -0.064 0.000 0.745 367 L CB -0.823 41.155 42.059 -0.136 0.000 0.898 367 L HN 0.269 nan 8.230 nan 0.000 0.433 368 S N 0.080 115.715 115.700 -0.108 0.000 2.383 368 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 368 S C 1.938 176.644 174.600 0.178 0.000 1.030 368 S CA 1.340 59.516 58.200 -0.041 0.000 1.002 368 S CB -0.527 62.479 63.200 -0.323 0.000 0.829 368 S HN 0.635 nan 8.310 nan 0.000 0.467 369 G N 1.009 109.917 108.800 0.178 0.000 2.421 369 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.217 369 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.217 369 G C 1.338 176.384 174.900 0.244 0.000 1.143 369 G CA 0.466 45.701 45.100 0.225 0.000 0.784 369 G HN 0.405 nan 8.290 nan 0.000 0.541 370 L N 1.148 122.489 121.223 0.196 0.000 2.017 370 L HA 0.032 4.372 4.340 -0.000 0.000 0.208 370 L C 2.873 179.883 176.870 0.235 0.000 1.073 370 L CA 2.427 57.386 54.840 0.199 0.000 0.745 370 L CB -0.868 41.274 42.059 0.138 0.000 0.894 370 L HN 0.216 nan 8.230 nan 0.000 0.432 371 S N -0.849 114.996 115.700 0.243 0.000 2.383 371 S HA -0.145 4.325 4.470 -0.000 0.000 0.229 371 S C 2.041 176.920 174.600 0.465 0.000 1.030 371 S CA 1.284 59.700 58.200 0.361 0.000 1.002 371 S CB -0.326 63.035 63.200 0.268 0.000 0.829 371 S HN 0.408 nan 8.310 nan 0.000 0.467 372 I N 1.883 122.692 120.570 0.399 0.000 2.179 372 I HA -0.109 4.061 4.170 -0.000 0.000 0.242 372 I C 2.851 179.319 176.117 0.584 0.000 1.088 372 I CA 1.439 63.004 61.300 0.441 0.000 1.357 372 I CB -1.794 36.386 38.000 0.300 0.000 1.051 372 I HN 0.380 nan 8.210 nan 0.000 0.409 373 A N 0.037 123.180 122.820 0.538 0.000 2.024 373 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 373 A C 2.165 179.905 177.584 0.259 0.000 1.164 373 A CA 1.453 53.791 52.037 0.501 0.000 0.643 373 A CB -0.542 18.739 19.000 0.468 0.000 0.806 373 A HN 0.565 nan 8.150 nan 0.000 0.451 374 Q N -1.055 118.842 119.800 0.162 0.000 2.354 374 Q HA 0.037 4.377 4.340 -0.000 0.000 0.203 374 Q C -0.350 175.491 176.000 -0.264 0.000 0.933 374 Q CA 0.478 56.201 55.803 -0.133 0.000 0.901 374 Q CB 0.222 28.731 28.738 -0.383 0.000 1.007 374 Q HN 0.768 nan 8.270 nan 0.000 0.495 375 H N -0.795 118.445 119.070 0.282 0.000 2.658 375 H HA 0.244 4.800 4.556 -0.000 0.000 0.337 375 H C -1.474 174.047 175.328 0.320 0.000 1.009 375 H CA -0.609 55.594 56.048 0.258 0.000 1.231 375 H CB 1.019 30.915 29.762 0.223 0.000 1.508 375 H HN 0.006 nan 8.280 nan 0.000 0.517 376 F N 1.672 121.615 119.950 -0.012 0.000 2.541 376 F HA 0.684 5.211 4.527 -0.000 0.000 0.331 376 F C -0.171 175.481 175.800 -0.248 0.000 1.057 376 F CA -0.213 57.472 58.000 -0.525 0.000 0.975 376 F CB 2.102 40.551 39.000 -0.918 0.000 1.246 376 F HN 0.614 nan 8.300 nan 0.000 0.484 377 G N 0.518 108.387 108.800 -1.552 0.000 2.677 377 G HA2 0.458 4.418 3.960 -0.000 0.000 0.291 377 G HA3 0.458 4.418 3.960 -0.000 0.000 0.291 377 G C -1.463 172.720 174.900 -1.195 0.000 1.435 377 G CA -0.408 44.202 45.100 -0.817 0.000 0.826 377 G HN 0.895 nan 8.290 nan 0.000 0.491 378 S N -0.568 114.860 115.700 -0.454 0.000 2.619 378 S HA 0.483 4.953 4.470 -0.000 0.000 0.179 378 S C 0.855 175.379 174.600 -0.126 0.000 0.810 378 S CA 1.007 59.060 58.200 -0.247 0.000 0.898 378 S CB -0.849 62.342 63.200 -0.014 0.000 1.650 378 S HN 2.721 nan 8.310 nan 0.000 0.554 379 G N 1.756 110.503 108.800 -0.088 0.000 3.626 379 G HA2 0.031 3.991 3.960 -0.000 0.000 0.241 379 G HA3 0.031 3.991 3.960 -0.000 0.000 0.241 379 G C 0.550 175.443 174.900 -0.011 0.000 1.824 379 G CA 0.319 45.404 45.100 -0.025 0.000 1.511 379 G HN 1.653 nan 8.290 nan 0.000 0.600 380 A N -0.124 122.694 122.820 -0.005 0.000 2.661 380 A HA 0.689 5.009 4.320 -0.000 0.000 0.278 380 A C 0.688 178.277 177.584 0.008 0.000 1.090 380 A CA 0.437 52.476 52.037 0.003 0.000 0.969 380 A CB 0.016 19.023 19.000 0.012 0.000 1.240 380 A HN 0.422 nan 8.150 nan 0.000 0.578 381 M N 0.285 119.893 119.600 0.013 0.000 2.288 381 M HA 0.463 4.943 4.480 -0.000 0.000 0.334 381 M C -0.583 175.752 176.300 0.058 0.000 1.150 381 M CA -0.248 55.086 55.300 0.056 0.000 1.118 381 M CB 1.108 33.797 32.600 0.149 0.000 1.501 381 M HN 0.047 nan 8.290 nan 0.000 0.462 382 L N 3.422 124.695 121.223 0.084 0.000 2.435 382 L HA 0.161 4.501 4.340 -0.000 0.000 0.259 382 L C -0.754 176.185 176.870 0.115 0.000 1.563 382 L CA 0.013 54.908 54.840 0.092 0.000 0.789 382 L CB -0.183 41.904 42.059 0.047 0.000 0.989 382 L HN 0.714 nan 8.230 nan 0.000 0.522 383 H N 1.471 120.557 119.070 0.027 0.000 2.882 383 H HA 0.310 4.866 4.556 -0.000 0.000 0.258 383 H C -0.673 174.621 175.328 -0.056 0.000 1.579 383 H CA -0.284 55.701 56.048 -0.105 0.000 1.340 383 H CB 0.274 29.815 29.762 -0.369 0.000 1.645 383 H HN 0.301 nan 8.280 nan 0.000 0.541 384 D N 2.505 123.049 120.400 0.241 0.000 2.372 384 D HA 0.111 4.751 4.640 -0.000 0.000 0.243 384 D C -0.047 176.364 176.300 0.184 0.000 1.121 384 D CA -0.127 53.956 54.000 0.139 0.000 0.898 384 D CB 1.701 42.545 40.800 0.073 0.000 1.202 384 D HN 0.160 nan 8.370 nan 0.000 0.428 385 V N 2.179 122.119 119.914 0.045 0.000 2.398 385 V HA 0.192 4.312 4.120 -0.000 0.000 0.282 385 V C -0.328 175.753 176.094 -0.021 0.000 1.014 385 V CA -0.758 61.569 62.300 0.045 0.000 0.838 385 V CB 1.726 33.540 31.823 -0.015 0.000 1.018 385 V HN 0.244 nan 8.190 nan 0.000 0.432 386 V N 5.844 125.749 119.914 -0.014 0.000 2.347 386 V HA 0.448 4.568 4.120 -0.000 0.000 0.280 386 V C 0.224 176.317 176.094 -0.003 0.000 1.021 386 V CA -0.513 61.775 62.300 -0.020 0.000 0.847 386 V CB 1.517 33.327 31.823 -0.021 0.000 0.990 386 V HN 0.781 nan 8.190 nan 0.000 0.444 387 M N 4.415 124.018 119.600 0.005 0.000 2.217 387 M HA 0.598 5.078 4.480 -0.000 0.000 0.354 387 M C 0.888 177.189 176.300 0.001 0.000 1.225 387 M CA 1.283 56.586 55.300 0.004 0.000 1.137 387 M CB 0.292 32.902 32.600 0.017 0.000 1.576 387 M HN 1.041 nan 8.290 nan 0.000 0.461 388 G N 2.331 111.124 108.800 -0.012 0.000 2.601 388 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.252 388 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.252 388 G C -0.754 174.142 174.900 -0.007 0.000 1.294 388 G CA -0.639 44.452 45.100 -0.015 0.000 0.912 388 G HN 0.827 nan 8.290 nan 0.000 0.574 389 V N 3.424 123.336 119.914 -0.004 0.000 2.644 389 V HA 0.044 4.164 4.120 -0.000 0.000 0.303 389 V C 0.190 176.287 176.094 0.004 0.000 1.058 389 V CA 0.851 63.150 62.300 -0.000 0.000 1.228 389 V CB 0.911 32.736 31.823 0.003 0.000 0.861 389 V HN 0.738 nan 8.190 nan 0.000 0.484 390 P HA -0.102 nan 4.420 nan 0.000 0.236 390 P C 0.759 178.066 177.300 0.012 0.000 1.172 390 P CA 0.764 63.867 63.100 0.006 0.000 0.759 390 P CB 0.469 32.171 31.700 0.003 0.000 0.843 391 E N -0.223 119.984 120.200 0.010 0.000 2.489 391 E HA 0.024 4.374 4.350 -0.000 0.000 0.193 391 E C 1.471 178.083 176.600 0.021 0.000 1.057 391 E CA 0.344 56.751 56.400 0.011 0.000 0.866 391 E CB -0.810 28.891 29.700 0.003 0.000 0.916 391 E HN 0.437 nan 8.360 nan 0.000 0.500 392 N N -0.372 118.343 118.700 0.025 0.000 2.494 392 N HA -0.035 4.705 4.740 -0.000 0.000 0.182 392 N C 0.246 175.786 175.510 0.052 0.000 1.076 392 N CA -0.158 52.915 53.050 0.038 0.000 0.908 392 N CB 0.594 39.102 38.487 0.034 0.000 0.967 392 N HN -0.008 nan 8.380 nan 0.000 0.449 393 V N 2.433 122.377 119.914 0.050 0.000 2.585 393 V HA 0.119 4.239 4.120 -0.000 0.000 0.296 393 V C -0.194 175.979 176.094 0.133 0.000 1.035 393 V CA -0.008 62.341 62.300 0.082 0.000 1.084 393 V CB 0.236 32.110 31.823 0.085 0.000 0.953 393 V HN 0.050 nan 8.190 nan 0.000 0.483 394 L N 5.713 127.069 121.223 0.223 0.000 2.332 394 L HA 0.555 4.895 4.340 -0.000 0.000 0.269 394 L C 0.152 177.130 176.870 0.181 0.000 1.016 394 L CA -1.011 53.937 54.840 0.179 0.000 0.809 394 L CB 1.248 43.393 42.059 0.143 0.000 1.280 394 L HN 0.492 nan 8.230 nan 0.000 0.447 395 Q N 0.956 120.782 119.800 0.044 0.000 2.474 395 Q HA 0.229 4.569 4.340 -0.000 0.000 0.256 395 Q C -2.240 173.703 176.000 -0.094 0.000 1.048 395 Q CA -1.433 54.350 55.803 -0.032 0.000 0.922 395 Q CB 0.224 28.945 28.738 -0.028 0.000 1.288 395 Q HN 0.272 nan 8.270 nan 0.000 0.484 396 P HA 0.207 nan 4.420 nan 0.000 0.276 396 P C -0.741 176.581 177.300 0.038 0.000 1.244 396 P CA -0.280 62.722 63.100 -0.164 0.000 0.801 396 P CB 0.833 32.413 31.700 -0.199 0.000 1.006 397 T N 0.056 114.689 114.554 0.131 0.000 2.912 397 T HA 0.243 4.593 4.350 -0.000 0.000 0.299 397 T C -1.169 173.716 174.700 0.309 0.000 1.052 397 T CA -0.444 61.806 62.100 0.250 0.000 0.996 397 T CB 0.232 69.278 68.868 0.296 0.000 1.070 397 T HN 0.326 nan 8.240 nan 0.000 0.465 398 H N 6.227 125.449 119.070 0.252 0.000 2.819 398 H HA 0.266 4.822 4.556 -0.000 0.000 0.303 398 H C -1.628 173.914 175.328 0.357 0.000 1.058 398 H CA -1.803 54.417 56.048 0.286 0.000 1.471 398 H CB 1.638 31.599 29.762 0.333 0.000 1.480 398 H HN 0.375 nan 8.280 nan 0.000 0.517 399 P HA -0.104 nan 4.420 nan 0.000 0.236 399 P C 0.768 178.377 177.300 0.516 0.000 1.172 399 P CA 0.498 63.899 63.100 0.501 0.000 0.759 399 P CB 0.588 32.423 31.700 0.225 0.000 0.843 400 V N -2.278 117.870 119.914 0.391 0.000 2.911 400 V HA 0.014 4.134 4.120 -0.000 0.000 0.237 400 V C 1.974 178.130 176.094 0.102 0.000 1.156 400 V CA 0.958 63.282 62.300 0.039 0.000 1.180 400 V CB -0.745 30.837 31.823 -0.401 0.000 0.932 400 V HN -0.074 nan 8.190 nan 0.000 0.483 401 Y N 0.002 120.401 120.300 0.164 0.000 2.503 401 Y HA 0.234 4.784 4.550 -0.000 0.000 0.278 401 Y C 1.432 177.507 175.900 0.292 0.000 1.111 401 Y CA 0.475 58.702 58.100 0.211 0.000 1.270 401 Y CB 0.097 38.519 38.460 -0.064 0.000 1.063 401 Y HN 0.407 nan 8.280 nan 0.000 0.548 402 N N 0.780 119.745 118.700 0.443 0.000 2.758 402 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 402 N C -1.030 174.441 175.510 -0.064 0.000 1.076 402 N CA 0.924 54.079 53.050 0.174 0.000 0.696 402 N CB -1.534 36.894 38.487 -0.098 0.000 0.979 402 N HN 0.599 nan 8.380 nan 0.000 0.550 403 I N -4.222 116.430 120.570 0.137 0.000 2.994 403 I HA 0.699 4.869 4.170 -0.000 0.000 0.306 403 I C 0.994 177.265 176.117 0.257 0.000 1.195 403 I CA -1.077 60.288 61.300 0.107 0.000 1.001 403 I CB 1.667 39.713 38.000 0.076 0.000 1.244 403 I HN 0.012 nan 8.210 nan 0.000 0.437 404 G N 3.474 112.418 108.800 0.240 0.000 2.178 404 G HA2 0.179 4.139 3.960 -0.000 0.000 0.244 404 G HA3 0.179 4.139 3.960 -0.000 0.000 0.244 404 G C -1.304 173.706 174.900 0.183 0.000 1.213 404 G CA -0.592 44.619 45.100 0.184 0.000 0.912 404 G HN 0.685 nan 8.290 nan 0.000 0.474 405 P HA -0.190 nan 4.420 nan 0.000 0.218 405 P C 0.930 178.296 177.300 0.110 0.000 1.146 405 P CA 1.802 64.986 63.100 0.140 0.000 0.813 405 P CB 0.168 31.876 31.700 0.013 0.000 0.778 406 D N -0.547 119.903 120.400 0.083 0.000 2.162 406 D HA -0.118 4.522 4.640 -0.000 0.000 0.203 406 D C 1.833 178.178 176.300 0.076 0.000 0.967 406 D CA 0.743 54.782 54.000 0.065 0.000 0.840 406 D CB -0.474 40.353 40.800 0.045 0.000 0.972 406 D HN -0.042 nan 8.370 nan 0.000 0.482 407 K N 0.773 121.225 120.400 0.086 0.000 2.097 407 K HA -0.004 4.316 4.320 -0.000 0.000 0.205 407 K C 2.269 178.912 176.600 0.071 0.000 1.050 407 K CA 0.408 56.749 56.287 0.089 0.000 0.938 407 K CB -0.443 32.107 32.500 0.084 0.000 0.718 407 K HN 0.205 nan 8.250 nan 0.000 0.442 408 V N 2.110 122.062 119.914 0.063 0.000 2.223 408 V HA -0.245 3.875 4.120 -0.000 0.000 0.244 408 V C 2.435 178.533 176.094 0.008 0.000 1.045 408 V CA 1.668 63.956 62.300 -0.020 0.000 1.000 408 V CB -0.440 31.480 31.823 0.162 0.000 0.635 408 V HN 0.177 nan 8.190 nan 0.000 0.445 409 I N -0.271 120.343 120.570 0.073 0.000 2.185 409 I HA -0.382 3.788 4.170 -0.000 0.000 0.246 409 I C 2.708 178.853 176.117 0.047 0.000 1.088 409 I CA 2.183 63.520 61.300 0.061 0.000 1.347 409 I CB -0.395 37.644 38.000 0.064 0.000 1.041 409 I HN 0.462 nan 8.210 nan 0.000 0.415 410 Q N 0.687 120.524 119.800 0.062 0.000 2.084 410 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 410 Q C 2.291 178.320 176.000 0.047 0.000 0.978 410 Q CA 1.844 57.695 55.803 0.080 0.000 0.844 410 Q CB -0.036 28.775 28.738 0.122 0.000 0.898 410 Q HN 0.564 nan 8.270 nan 0.000 0.426 411 A N 0.477 123.316 122.820 0.031 0.000 1.841 411 A HA -0.189 4.131 4.320 -0.000 0.000 0.214 411 A C 2.327 179.922 177.584 0.018 0.000 1.195 411 A CA 2.163 54.143 52.037 -0.096 0.000 0.611 411 A CB -1.446 17.577 19.000 0.038 0.000 0.835 411 A HN 0.668 nan 8.150 nan 0.000 0.443 412 T N -1.056 113.509 114.554 0.018 0.000 2.665 412 T HA -0.270 4.079 4.350 -0.000 0.000 0.268 412 T C 1.949 176.675 174.700 0.044 0.000 1.035 412 T CA 3.064 65.188 62.100 0.040 0.000 1.151 412 T CB -1.675 67.193 68.868 0.001 0.000 0.862 412 T HN 0.699 nan 8.240 nan 0.000 0.438 413 T N -0.218 114.344 114.554 0.014 0.000 2.788 413 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 413 T C 1.986 176.649 174.700 -0.061 0.000 1.044 413 T CA 1.571 63.666 62.100 -0.007 0.000 1.139 413 T CB -0.999 67.873 68.868 0.006 0.000 0.867 413 T HN 0.716 nan 8.240 nan 0.000 0.454 414 H N 0.338 119.283 119.070 -0.207 0.000 2.389 414 H HA 0.005 4.560 4.556 -0.000 0.000 0.299 414 H C 1.593 176.665 175.328 -0.426 0.000 1.081 414 H CA 1.343 57.172 56.048 -0.366 0.000 1.345 414 H CB -0.449 28.922 29.762 -0.653 0.000 1.393 414 H HN 0.530 nan 8.280 nan 0.000 0.520 415 F N -0.108 119.665 119.950 -0.294 0.000 2.615 415 F HA -0.041 4.486 4.527 -0.000 0.000 0.297 415 F C 2.245 177.922 175.800 -0.204 0.000 1.124 415 F CA -0.183 57.658 58.000 -0.264 0.000 1.451 415 F CB 0.089 39.003 39.000 -0.143 0.000 1.103 415 F HN 0.142 nan 8.300 nan 0.000 0.569 416 L N 0.677 121.889 121.223 -0.018 0.000 2.362 416 L HA -0.136 4.204 4.340 -0.000 0.000 0.219 416 L C 2.248 179.077 176.870 -0.067 0.000 1.134 416 L CA 1.543 56.370 54.840 -0.023 0.000 0.807 416 L CB -0.942 41.110 42.059 -0.013 0.000 0.927 416 L HN 0.304 nan 8.230 nan 0.000 0.447 417 Q N -1.289 118.426 119.800 -0.142 0.000 2.247 417 Q HA 0.070 4.410 4.340 -0.000 0.000 0.205 417 Q C -0.212 175.708 176.000 -0.133 0.000 0.896 417 Q CA 0.025 55.746 55.803 -0.136 0.000 0.950 417 Q CB 0.237 28.876 28.738 -0.166 0.000 1.054 417 Q HN 0.122 nan 8.270 nan 0.000 0.482 418 K N 2.110 122.446 120.400 -0.106 0.000 2.318 418 K HA 0.496 4.816 4.320 -0.000 0.000 0.249 418 K C -2.670 173.908 176.600 -0.038 0.000 0.942 418 K CA -2.263 53.984 56.287 -0.067 0.000 0.808 418 K CB 1.870 34.351 32.500 -0.031 0.000 1.189 418 K HN -0.012 nan 8.250 nan 0.000 0.428 419 P HA 0.133 nan 4.420 nan 0.000 0.282 419 P C -0.466 176.801 177.300 -0.055 0.000 1.249 419 P CA -0.537 62.538 63.100 -0.042 0.000 0.806 419 P CB 0.908 32.582 31.700 -0.044 0.000 0.984 420 V N 5.254 125.130 119.914 -0.063 0.000 2.617 420 V HA -0.021 4.099 4.120 -0.000 0.000 0.304 420 V C -1.673 174.322 176.094 -0.166 0.000 1.040 420 V CA -0.606 61.638 62.300 -0.093 0.000 1.149 420 V CB -0.492 31.282 31.823 -0.081 0.000 0.914 420 V HN 0.549 nan 8.190 nan 0.000 0.487 421 P HA 0.067 nan 4.420 nan 0.000 0.254 421 P C 0.391 177.260 177.300 -0.719 0.000 1.467 421 P CA 0.418 63.303 63.100 -0.358 0.000 1.281 421 P CB -0.092 31.427 31.700 -0.300 0.000 1.754 422 G N 2.965 111.499 108.800 -0.444 0.000 2.390 422 G HA2 0.542 4.502 3.960 -0.000 0.000 0.270 422 G HA3 0.542 4.502 3.960 -0.000 0.000 0.270 422 G C -0.503 174.238 174.900 -0.266 0.000 1.211 422 G CA -0.416 44.455 45.100 -0.382 0.000 0.842 422 G HN 0.417 nan 8.290 nan 0.000 0.519 423 F N 0.000 119.957 119.950 0.012 0.000 2.286 423 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 423 F CA 0.000 57.995 58.000 -0.008 0.000 1.383 423 F CB 0.000 38.993 39.000 -0.012 0.000 1.145 423 F HN 0.000 nan 8.300 nan 0.000 0.574