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 1ft2_1_B DATA FIRST_RESID 22 DATA SEQUENCE PLYSLRPEHA RERLQDDSVE TVTSIEQAKV EEKIQEVFSS YKFNHLVPRL DATA SEQUENCE VLQREKHFHY LKRGLRQLTD AYECLDASRP WLCYWILHSL ELLDEPIPQI DATA SEQUENCE VATDVCQFLE LCQSPDGGFG GGPGQYPHLA PTYAAVNALC IIGTEEAYNV DATA SEQUENCE INREKLLQYL YSLKQPDGSF LMHVGGEVDV RSAYCAASVA SLTNIITPDL DATA SEQUENCE FEGTAEWIAR CQNWEGGIGG VPGMEAHGGY TFCGLAALVI LKKERSLNLK DATA SEQUENCE SLLQWVTSRQ MRFEGGFQGR CNKLVDGCYS FWQAGLLPLL HRALHAQGDP DATA SEQUENCE ALSMSHWMFH QQALQEYILM CCQCPAGGLL DKPGKSRDFY HTCYCLSGLS DATA SEQUENCE IAQHFGSGAM LHDVVMGVPE NVLQPTHPVY NIGPDKVIQA TTHFLQKPVP DATA SEQUENCE G 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 22 P HA 0.000 nan 4.420 nan 0.000 0.216 22 P C 0.000 177.251 177.300 -0.082 0.000 1.155 22 P CA 0.000 63.052 63.100 -0.079 0.000 0.800 22 P CB 0.000 31.644 31.700 -0.093 0.000 0.726 23 L N 0.016 121.163 121.223 -0.126 0.000 2.325 23 L HA 0.329 4.669 4.340 -0.000 0.000 0.279 23 L C 1.712 178.479 176.870 -0.171 0.000 1.054 23 L CA -0.700 54.056 54.840 -0.140 0.000 0.804 23 L CB 1.080 43.019 42.059 -0.200 0.000 1.200 23 L HN 0.456 nan 8.230 nan 0.000 0.436 24 Y N 2.031 122.167 120.300 -0.274 0.000 2.102 24 Y HA -0.335 4.215 4.550 0.000 0.000 0.280 24 Y C 2.388 177.914 175.900 -0.623 0.000 1.178 24 Y CA 2.320 60.227 58.100 -0.321 0.000 1.146 24 Y CB 0.188 38.453 38.460 -0.325 0.000 0.968 24 Y HN 0.659 nan 8.280 nan 0.000 0.504 25 S N -0.135 115.099 115.700 -0.777 0.000 2.515 25 S HA -0.040 4.430 4.470 -0.000 0.000 0.231 25 S C 1.711 175.576 174.600 -1.225 0.000 0.987 25 S CA 1.107 58.343 58.200 -1.608 0.000 0.936 25 S CB -0.178 61.910 63.200 -1.855 0.000 0.766 25 S HN 0.441 nan 8.310 nan 0.000 0.528 26 L N 0.092 120.917 121.223 -0.665 0.000 2.515 26 L HA 0.217 4.557 4.340 -0.000 0.000 0.223 26 L C 0.728 177.473 176.870 -0.208 0.000 1.079 26 L CA -0.020 54.606 54.840 -0.356 0.000 0.857 26 L CB -0.021 41.898 42.059 -0.233 0.000 1.050 26 L HN 0.060 nan 8.230 nan 0.000 0.476 27 R N 1.064 121.427 120.500 -0.229 0.000 2.638 27 R HA -0.052 4.288 4.340 -0.000 0.000 0.268 27 R C -1.436 174.825 176.300 -0.064 0.000 1.006 27 R CA -1.036 54.986 56.100 -0.130 0.000 1.088 27 R CB -0.126 30.087 30.300 -0.145 0.000 0.950 27 R HN -0.130 nan 8.270 nan 0.000 0.419 28 P HA -0.256 nan 4.420 nan 0.000 0.217 28 P C 0.352 177.660 177.300 0.013 0.000 1.162 28 P CA 1.540 64.642 63.100 0.003 0.000 0.901 28 P CB 0.199 31.898 31.700 -0.002 0.000 0.793 29 E N -2.130 118.064 120.200 -0.009 0.000 2.333 29 E HA -0.208 4.142 4.350 -0.000 0.000 0.198 29 E C 1.888 178.482 176.600 -0.010 0.000 1.007 29 E CA 0.773 57.164 56.400 -0.015 0.000 0.845 29 E CB -1.492 28.189 29.700 -0.033 0.000 0.766 29 E HN 0.479 nan 8.360 nan 0.000 0.507 30 H N 0.457 119.460 119.070 -0.111 0.000 2.489 30 H HA 0.072 4.628 4.556 -0.000 0.000 0.293 30 H C 1.573 176.954 175.328 0.089 0.000 1.066 30 H CA 1.149 57.145 56.048 -0.087 0.000 1.305 30 H CB 0.210 29.860 29.762 -0.186 0.000 1.386 30 H HN 0.297 nan 8.280 nan 0.000 0.551 31 A N 0.892 123.781 122.820 0.115 0.000 2.172 31 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 31 A C 2.297 179.845 177.584 -0.060 0.000 1.154 31 A CA 0.366 52.438 52.037 0.059 0.000 0.701 31 A CB -0.231 18.803 19.000 0.057 0.000 0.789 31 A HN 0.318 nan 8.150 nan 0.000 0.465 32 R N -0.033 120.428 120.500 -0.065 0.000 2.161 32 R HA 0.004 4.344 4.340 -0.000 0.000 0.213 32 R C 0.600 176.830 176.300 -0.116 0.000 1.055 32 R CA 0.610 56.661 56.100 -0.081 0.000 0.996 32 R CB -0.202 30.064 30.300 -0.056 0.000 0.901 32 R HN 0.454 nan 8.270 nan 0.000 0.456 33 E N 1.130 121.234 120.200 -0.159 0.000 2.526 33 E HA -0.009 4.341 4.350 -0.000 0.000 0.198 33 E C 0.422 176.922 176.600 -0.167 0.000 1.091 33 E CA 0.235 56.545 56.400 -0.150 0.000 0.880 33 E CB -0.014 29.547 29.700 -0.232 0.000 0.873 33 E HN 0.086 nan 8.360 nan 0.000 0.527 34 R N 0.719 121.039 120.500 -0.299 0.000 2.707 34 R HA 0.114 4.454 4.340 -0.000 0.000 0.270 34 R C 0.507 176.675 176.300 -0.219 0.000 1.083 34 R CA -0.730 55.109 56.100 -0.435 0.000 1.182 34 R CB 0.176 30.184 30.300 -0.486 0.000 1.084 34 R HN 0.059 nan 8.270 nan 0.000 0.528 35 L N 1.794 122.902 121.223 -0.191 0.000 2.455 35 L HA 0.012 4.352 4.340 -0.000 0.000 0.272 35 L C -0.154 176.664 176.870 -0.087 0.000 1.174 35 L CA 0.930 55.708 54.840 -0.103 0.000 0.869 35 L CB 0.337 42.351 42.059 -0.075 0.000 1.130 35 L HN 0.364 nan 8.230 nan 0.000 0.474 36 Q N 3.788 123.553 119.800 -0.059 0.000 2.431 36 Q HA 0.150 4.490 4.340 -0.000 0.000 0.249 36 Q C -0.187 175.794 176.000 -0.031 0.000 1.025 36 Q CA -0.333 55.442 55.803 -0.046 0.000 0.835 36 Q CB 0.890 29.606 28.738 -0.037 0.000 1.207 36 Q HN 0.759 nan 8.270 nan 0.000 0.490 37 D N 2.113 122.495 120.400 -0.029 0.000 2.324 37 D HA -0.109 4.531 4.640 -0.000 0.000 0.235 37 D C -0.325 175.967 176.300 -0.012 0.000 1.095 37 D CA 0.033 54.022 54.000 -0.018 0.000 0.871 37 D CB 0.167 40.957 40.800 -0.017 0.000 0.906 37 D HN 0.458 nan 8.370 nan 0.000 0.522 38 D N -0.144 120.247 120.400 -0.014 0.000 2.955 38 D HA -0.253 4.387 4.640 -0.000 0.000 0.226 38 D C -0.068 176.227 176.300 -0.008 0.000 1.178 38 D CA 1.160 55.154 54.000 -0.010 0.000 0.808 38 D CB -1.570 39.227 40.800 -0.005 0.000 1.099 38 D HN 0.334 nan 8.370 nan 0.000 0.421 39 S N -3.287 112.407 115.700 -0.011 0.000 3.127 39 S HA -0.234 4.236 4.470 -0.000 0.000 0.281 39 S C 0.368 174.965 174.600 -0.006 0.000 1.293 39 S CA 0.973 59.168 58.200 -0.009 0.000 1.156 39 S CB -0.922 62.274 63.200 -0.008 0.000 1.389 39 S HN 0.344 nan 8.310 nan 0.000 0.672 40 V N 2.455 122.366 119.914 -0.004 0.000 2.275 40 V HA 0.276 4.396 4.120 -0.000 0.000 0.272 40 V C 0.471 176.565 176.094 -0.000 0.000 1.028 40 V CA -0.454 61.846 62.300 -0.001 0.000 0.810 40 V CB 1.068 32.892 31.823 0.001 0.000 1.043 40 V HN 0.321 nan 8.190 nan 0.000 0.453 41 E N 2.976 123.176 120.200 -0.000 0.000 2.354 41 E HA 0.557 4.907 4.350 -0.000 0.000 0.269 41 E C 0.210 176.812 176.600 0.005 0.000 1.036 41 E CA -0.106 56.294 56.400 0.001 0.000 0.876 41 E CB 1.367 31.066 29.700 -0.001 0.000 1.009 41 E HN 0.810 nan 8.360 nan 0.000 0.416 42 T N -2.381 112.177 114.554 0.007 0.000 2.853 42 T HA 0.134 4.484 4.350 -0.000 0.000 0.311 42 T C 0.824 175.532 174.700 0.013 0.000 1.307 42 T CA -0.866 61.240 62.100 0.011 0.000 1.019 42 T CB 0.938 69.815 68.868 0.014 0.000 1.264 42 T HN 0.101 nan 8.240 nan 0.000 0.497 43 V N 1.528 121.452 119.914 0.016 0.000 2.428 43 V HA -0.242 3.878 4.120 -0.000 0.000 0.255 43 V C 2.797 178.903 176.094 0.020 0.000 1.080 43 V CA 2.843 65.154 62.300 0.019 0.000 1.083 43 V CB -1.535 30.302 31.823 0.023 0.000 0.665 43 V HN 1.098 nan 8.190 nan 0.000 0.461 44 T N 0.435 115.003 114.554 0.022 0.000 2.668 44 T HA -0.180 4.170 4.350 -0.000 0.000 0.262 44 T C 2.126 176.835 174.700 0.016 0.000 1.045 44 T CA 1.930 64.044 62.100 0.023 0.000 1.152 44 T CB -0.519 68.365 68.868 0.026 0.000 0.864 44 T HN 0.745 nan 8.240 nan 0.000 0.419 45 S N 1.986 117.692 115.700 0.011 0.000 2.374 45 S HA -0.119 4.351 4.470 -0.000 0.000 0.227 45 S C 2.068 176.669 174.600 0.001 0.000 1.037 45 S CA 1.059 59.260 58.200 0.003 0.000 1.024 45 S CB -1.002 62.197 63.200 -0.001 0.000 0.861 45 S HN 0.456 nan 8.310 nan 0.000 0.456 46 I N 2.208 122.781 120.570 0.005 0.000 2.058 46 I HA -0.195 3.975 4.170 -0.000 0.000 0.235 46 I C 2.950 179.072 176.117 0.009 0.000 1.053 46 I CA 1.801 63.104 61.300 0.005 0.000 1.313 46 I CB -0.508 37.497 38.000 0.008 0.000 1.039 46 I HN 0.248 nan 8.210 nan 0.000 0.396 47 E N 0.370 120.579 120.200 0.015 0.000 2.130 47 E HA -0.305 4.045 4.350 -0.000 0.000 0.196 47 E C 1.952 178.566 176.600 0.024 0.000 0.998 47 E CA 1.404 57.817 56.400 0.021 0.000 0.806 47 E CB -0.445 29.271 29.700 0.028 0.000 0.738 47 E HN 0.476 nan 8.360 nan 0.000 0.459 48 Q N 0.943 120.755 119.800 0.020 0.000 2.046 48 Q HA -0.048 4.292 4.340 -0.000 0.000 0.200 48 Q C 2.051 178.062 176.000 0.018 0.000 0.975 48 Q CA 2.047 57.863 55.803 0.022 0.000 0.836 48 Q CB -0.533 28.213 28.738 0.013 0.000 0.896 48 Q HN 0.198 nan 8.270 nan 0.000 0.428 49 A N 0.818 123.637 122.820 -0.000 0.000 1.883 49 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 49 A C 2.035 179.619 177.584 0.002 0.000 1.186 49 A CA 1.948 53.975 52.037 -0.017 0.000 0.624 49 A CB -0.606 18.379 19.000 -0.026 0.000 0.822 49 A HN 0.447 nan 8.150 nan 0.000 0.444 50 K N -0.569 119.838 120.400 0.010 0.000 2.015 50 K HA -0.163 4.157 4.320 -0.000 0.000 0.216 50 K C 1.902 178.520 176.600 0.030 0.000 1.052 50 K CA 1.801 58.098 56.287 0.016 0.000 0.937 50 K CB -0.611 31.899 32.500 0.017 0.000 0.719 50 K HN 0.329 nan 8.250 nan 0.000 0.446 51 V N 1.890 121.830 119.914 0.043 0.000 2.332 51 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 51 V C 2.105 178.255 176.094 0.093 0.000 1.055 51 V CA 1.809 64.146 62.300 0.061 0.000 1.038 51 V CB -0.526 31.341 31.823 0.073 0.000 0.651 51 V HN 0.355 nan 8.190 nan 0.000 0.450 52 E N -0.105 120.168 120.200 0.122 0.000 2.058 52 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 52 E C 2.314 179.045 176.600 0.219 0.000 0.997 52 E CA 1.486 58.030 56.400 0.240 0.000 0.801 52 E CB -0.195 29.534 29.700 0.047 0.000 0.746 52 E HN 0.718 nan 8.360 nan 0.000 0.450 53 E N 1.472 121.719 120.200 0.079 0.000 2.058 53 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 53 E C 1.905 178.539 176.600 0.056 0.000 0.997 53 E CA 1.276 57.710 56.400 0.057 0.000 0.801 53 E CB 0.089 29.800 29.700 0.018 0.000 0.746 53 E HN 0.115 nan 8.360 nan 0.000 0.450 54 K N 0.138 120.557 120.400 0.031 0.000 2.057 54 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 54 K C 2.236 178.804 176.600 -0.052 0.000 1.049 54 K CA 1.280 57.565 56.287 -0.004 0.000 0.931 54 K CB -0.095 32.401 32.500 -0.007 0.000 0.714 54 K HN 0.250 nan 8.250 nan 0.000 0.440 55 I N 1.397 121.917 120.570 -0.083 0.000 2.315 55 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 55 I C 2.535 178.372 176.117 -0.466 0.000 1.117 55 I CA 1.342 62.439 61.300 -0.339 0.000 1.404 55 I CB -0.989 36.757 38.000 -0.423 0.000 1.071 55 I HN 0.217 nan 8.210 nan 0.000 0.419 56 Q N 1.715 121.487 119.800 -0.047 0.000 2.096 56 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 56 Q C 1.993 178.067 176.000 0.124 0.000 0.982 56 Q CA 1.881 57.813 55.803 0.215 0.000 0.850 56 Q CB -0.177 28.794 28.738 0.389 0.000 0.901 56 Q HN 0.523 nan 8.270 nan 0.000 0.422 57 E N -0.853 119.376 120.200 0.048 0.000 2.049 57 E HA -0.198 4.152 4.350 -0.000 0.000 0.198 57 E C 2.001 178.628 176.600 0.045 0.000 1.007 57 E CA 1.741 58.162 56.400 0.035 0.000 0.809 57 E CB -0.218 29.483 29.700 0.000 0.000 0.749 57 E HN 0.229 nan 8.360 nan 0.000 0.450 58 V N 1.073 120.979 119.914 -0.013 0.000 2.332 58 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 58 V C 2.091 178.331 176.094 0.242 0.000 1.055 58 V CA 1.606 63.935 62.300 0.049 0.000 1.038 58 V CB -0.581 31.188 31.823 -0.089 0.000 0.651 58 V HN 0.176 nan 8.190 nan 0.000 0.450 59 F N 1.175 121.159 119.950 0.057 0.000 2.102 59 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 59 F C 2.751 178.616 175.800 0.109 0.000 1.105 59 F CA 1.461 59.483 58.000 0.036 0.000 1.239 59 F CB -1.456 37.529 39.000 -0.025 0.000 0.991 59 F HN 0.119 nan 8.300 nan 0.000 0.474 60 S N -0.236 115.648 115.700 0.307 0.000 2.383 60 S HA -0.197 4.273 4.470 -0.000 0.000 0.229 60 S C 2.285 177.008 174.600 0.205 0.000 1.030 60 S CA 1.426 59.752 58.200 0.211 0.000 1.002 60 S CB -0.597 62.679 63.200 0.127 0.000 0.829 60 S HN 0.320 nan 8.310 nan 0.000 0.467 61 S N 0.503 116.310 115.700 0.178 0.000 2.374 61 S HA -0.128 4.342 4.470 -0.000 0.000 0.227 61 S C 1.530 176.236 174.600 0.175 0.000 1.037 61 S CA 1.446 59.711 58.200 0.108 0.000 1.024 61 S CB -0.415 62.814 63.200 0.048 0.000 0.861 61 S HN 0.606 nan 8.310 nan 0.000 0.456 62 Y N 1.030 121.415 120.300 0.142 0.000 2.517 62 Y HA 0.207 4.757 4.550 -0.000 0.000 0.281 62 Y C 2.220 178.187 175.900 0.112 0.000 1.125 62 Y CA 0.339 58.509 58.100 0.117 0.000 1.283 62 Y CB -0.063 38.432 38.460 0.059 0.000 1.042 62 Y HN 0.124 nan 8.280 nan 0.000 0.547 63 K N -0.055 120.508 120.400 0.272 0.000 2.076 63 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 63 K C 1.961 178.702 176.600 0.234 0.000 1.051 63 K CA 0.996 57.394 56.287 0.184 0.000 0.949 63 K CB -0.358 32.231 32.500 0.148 0.000 0.726 63 K HN 0.219 nan 8.250 nan 0.000 0.443 64 F N 1.567 121.573 119.950 0.094 0.000 2.010 64 F HA -0.105 4.422 4.527 -0.000 0.000 0.296 64 F C 0.349 176.189 175.800 0.066 0.000 1.146 64 F CA 1.288 59.327 58.000 0.066 0.000 1.181 64 F CB -0.192 38.834 39.000 0.043 0.000 0.965 64 F HN -0.038 nan 8.300 nan 0.000 0.480 65 N N -0.459 118.358 118.700 0.195 0.000 2.400 65 N HA 0.354 5.094 4.740 -0.000 0.000 0.288 65 N C -1.868 173.717 175.510 0.125 0.000 1.024 65 N CA -0.293 52.763 53.050 0.010 0.000 0.894 65 N CB 0.905 39.455 38.487 0.104 0.000 1.173 65 N HN 0.494 nan 8.380 nan 0.000 0.487 66 H N 0.716 119.752 119.070 -0.056 0.000 3.143 66 H HA 0.287 4.843 4.556 -0.000 0.000 0.303 66 H C -1.578 173.727 175.328 -0.039 0.000 1.109 66 H CA -0.603 55.431 56.048 -0.024 0.000 1.494 66 H CB -0.247 29.524 29.762 0.015 0.000 2.132 66 H HN 0.466 nan 8.280 nan 0.000 0.433 67 L N 3.225 124.372 121.223 -0.126 0.000 3.406 67 L HA 0.316 4.656 4.340 -0.000 0.000 0.309 67 L C -0.432 176.423 176.870 -0.024 0.000 1.159 67 L CA 0.485 55.230 54.840 -0.158 0.000 1.122 67 L CB 1.389 43.361 42.059 -0.145 0.000 1.633 67 L HN 0.583 nan 8.230 nan 0.000 0.607 68 V N -3.952 115.980 119.914 0.030 0.000 3.040 68 V HA 0.681 4.801 4.120 -0.000 0.000 0.312 68 V C -2.672 173.473 176.094 0.085 0.000 1.115 68 V CA -2.271 60.055 62.300 0.043 0.000 0.998 68 V CB 1.100 32.934 31.823 0.018 0.000 1.042 68 V HN -0.108 nan 8.190 nan 0.000 0.433 69 P HA 0.369 nan 4.420 nan 0.000 0.264 69 P C 0.033 177.383 177.300 0.082 0.000 1.193 69 P CA 0.065 63.209 63.100 0.073 0.000 0.763 69 P CB 0.463 32.189 31.700 0.043 0.000 0.810 70 R N 2.016 122.590 120.500 0.124 0.000 2.225 70 R HA 0.207 4.547 4.340 -0.000 0.000 0.194 70 R C 0.484 176.922 176.300 0.231 0.000 0.957 70 R CA -0.056 56.152 56.100 0.181 0.000 1.042 70 R CB 0.174 30.620 30.300 0.243 0.000 1.004 70 R HN 0.419 nan 8.270 nan 0.000 0.509 71 L N 3.019 124.326 121.223 0.141 0.000 2.448 71 L HA 0.174 4.514 4.340 -0.000 0.000 0.278 71 L C -0.798 176.098 176.870 0.044 0.000 1.201 71 L CA -0.014 54.864 54.840 0.062 0.000 1.036 71 L CB 0.456 42.503 42.059 -0.019 0.000 1.325 71 L HN -0.134 nan 8.230 nan 0.000 0.441 72 V N 3.612 123.561 119.914 0.059 0.000 2.588 72 V HA 0.264 4.384 4.120 -0.000 0.000 0.304 72 V C -0.079 176.028 176.094 0.022 0.000 1.042 72 V CA -0.785 61.533 62.300 0.031 0.000 0.877 72 V CB 2.572 34.409 31.823 0.023 0.000 0.996 72 V HN 0.376 nan 8.190 nan 0.000 0.425 73 L N 4.855 126.088 121.223 0.018 0.000 2.325 73 L HA 0.337 4.677 4.340 -0.000 0.000 0.284 73 L C 0.952 177.802 176.870 -0.034 0.000 1.089 73 L CA 0.388 55.251 54.840 0.038 0.000 0.836 73 L CB 0.732 42.828 42.059 0.062 0.000 1.184 73 L HN 0.647 nan 8.230 nan 0.000 0.444 74 Q N 5.291 125.002 119.800 -0.149 0.000 2.683 74 Q HA -0.051 4.289 4.340 -0.000 0.000 0.199 74 Q C 1.166 176.869 176.000 -0.494 0.000 1.057 74 Q CA 0.293 55.882 55.803 -0.356 0.000 0.959 74 Q CB -0.551 27.893 28.738 -0.489 0.000 1.683 74 Q HN 0.712 nan 8.270 nan 0.000 0.423 75 R N 0.492 120.884 120.500 -0.180 0.000 2.133 75 R HA -0.265 4.075 4.340 -0.000 0.000 0.245 75 R C 1.876 178.119 176.300 -0.095 0.000 1.137 75 R CA 1.847 57.910 56.100 -0.062 0.000 0.947 75 R CB -0.110 30.169 30.300 -0.035 0.000 0.865 75 R HN 0.342 nan 8.270 nan 0.000 0.437 76 E N 1.008 121.121 120.200 -0.144 0.000 2.035 76 E HA -0.222 4.128 4.350 -0.000 0.000 0.204 76 E C 1.857 178.230 176.600 -0.379 0.000 1.025 76 E CA 1.727 58.008 56.400 -0.199 0.000 0.835 76 E CB 0.036 29.653 29.700 -0.139 0.000 0.764 76 E HN 0.041 nan 8.360 nan 0.000 0.457 77 K N -0.399 119.822 120.400 -0.298 0.000 2.063 77 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 77 K C 2.203 178.771 176.600 -0.054 0.000 1.048 77 K CA 1.544 57.711 56.287 -0.201 0.000 0.928 77 K CB -0.620 31.777 32.500 -0.172 0.000 0.713 77 K HN 0.391 nan 8.250 nan 0.000 0.442 78 H N -0.166 118.894 119.070 -0.017 0.000 2.319 78 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 78 H C 1.920 177.340 175.328 0.152 0.000 1.092 78 H CA 1.239 57.329 56.048 0.069 0.000 1.302 78 H CB -0.789 29.003 29.762 0.050 0.000 1.373 78 H HN 0.153 nan 8.280 nan 0.000 0.497 79 F N 1.829 121.807 119.950 0.048 0.000 2.202 79 F HA -0.222 4.305 4.527 -0.000 0.000 0.301 79 F C 2.242 178.109 175.800 0.112 0.000 1.082 79 F CA 1.345 59.361 58.000 0.027 0.000 1.313 79 F CB -0.264 38.702 39.000 -0.056 0.000 1.024 79 F HN 0.155 nan 8.300 nan 0.000 0.495 80 H N -1.579 117.446 119.070 -0.076 0.000 2.299 80 H HA -0.143 4.413 4.556 -0.000 0.000 0.302 80 H C 2.055 177.361 175.328 -0.036 0.000 1.078 80 H CA 1.788 57.733 56.048 -0.173 0.000 1.323 80 H CB -1.418 28.327 29.762 -0.029 0.000 1.381 80 H HN 0.359 nan 8.280 nan 0.000 0.498 81 Y N 1.525 121.885 120.300 0.100 0.000 2.081 81 Y HA -0.250 4.300 4.550 0.000 0.000 0.280 81 Y C 2.503 178.523 175.900 0.200 0.000 1.163 81 Y CA 1.460 59.624 58.100 0.107 0.000 1.135 81 Y CB -0.794 37.705 38.460 0.065 0.000 0.970 81 Y HN 0.040 nan 8.280 nan 0.000 0.498 82 L N 0.120 121.457 121.223 0.191 0.000 1.976 82 L HA -0.259 4.081 4.340 -0.000 0.000 0.209 82 L C 2.653 179.476 176.870 -0.079 0.000 1.071 82 L CA 2.023 56.925 54.840 0.103 0.000 0.746 82 L CB -0.730 41.425 42.059 0.159 0.000 0.890 82 L HN 0.116 nan 8.230 nan 0.000 0.432 83 K N 0.075 120.355 120.400 -0.200 0.000 2.113 83 K HA -0.266 4.054 4.320 -0.000 0.000 0.208 83 K C 2.341 178.824 176.600 -0.195 0.000 1.047 83 K CA 1.584 57.700 56.287 -0.284 0.000 0.928 83 K CB -0.024 32.095 32.500 -0.636 0.000 0.716 83 K HN 0.170 nan 8.250 nan 0.000 0.446 84 R N -0.433 119.978 120.500 -0.149 0.000 2.055 84 R HA -0.069 4.271 4.340 -0.000 0.000 0.226 84 R C 2.341 178.547 176.300 -0.157 0.000 1.135 84 R CA 1.478 57.508 56.100 -0.116 0.000 0.959 84 R CB -0.605 29.668 30.300 -0.046 0.000 0.854 84 R HN 0.318 nan 8.270 nan 0.000 0.431 85 G N 1.761 110.453 108.800 -0.180 0.000 2.469 85 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 85 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 85 G C 1.314 175.912 174.900 -0.503 0.000 1.150 85 G CA 0.844 45.703 45.100 -0.401 0.000 0.763 85 G HN 0.332 nan 8.290 nan 0.000 0.561 86 L N -0.320 120.658 121.223 -0.408 0.000 2.351 86 L HA 0.042 4.382 4.340 -0.000 0.000 0.220 86 L C 2.489 179.197 176.870 -0.269 0.000 1.127 86 L CA 1.758 56.403 54.840 -0.326 0.000 0.786 86 L CB -0.171 41.759 42.059 -0.215 0.000 0.914 86 L HN 0.149 nan 8.230 nan 0.000 0.443 87 R N -1.418 118.939 120.500 -0.238 0.000 2.119 87 R HA 0.248 4.588 4.340 -0.000 0.000 0.202 87 R C 0.467 176.649 176.300 -0.197 0.000 1.114 87 R CA 0.494 56.478 56.100 -0.194 0.000 1.089 87 R CB 0.133 30.349 30.300 -0.141 0.000 1.000 87 R HN 0.432 nan 8.270 nan 0.000 0.487 88 Q N 0.272 119.964 119.800 -0.180 0.000 2.423 88 Q HA 0.432 4.772 4.340 -0.000 0.000 0.278 88 Q C -1.487 174.420 176.000 -0.155 0.000 1.097 88 Q CA -0.654 55.062 55.803 -0.146 0.000 0.809 88 Q CB 1.807 30.490 28.738 -0.091 0.000 1.391 88 Q HN 0.153 nan 8.270 nan 0.000 0.428 89 L N 1.005 122.156 121.223 -0.119 0.000 2.327 89 L HA 0.545 4.885 4.340 -0.000 0.000 0.258 89 L C 0.307 177.198 176.870 0.036 0.000 1.024 89 L CA -0.879 53.905 54.840 -0.093 0.000 0.825 89 L CB 2.423 44.375 42.059 -0.178 0.000 1.386 89 L HN 0.906 nan 8.230 nan 0.000 0.417 90 T N -3.807 110.831 114.554 0.140 0.000 2.824 90 T HA 0.114 4.464 4.350 -0.000 0.000 0.277 90 T C 0.597 175.411 174.700 0.191 0.000 0.975 90 T CA -0.327 61.865 62.100 0.155 0.000 0.966 90 T CB 0.961 69.934 68.868 0.175 0.000 1.054 90 T HN 0.725 nan 8.240 nan 0.000 0.533 91 D N -0.436 120.046 120.400 0.135 0.000 2.378 91 D HA 0.058 4.698 4.640 -0.000 0.000 0.227 91 D C 1.830 178.205 176.300 0.125 0.000 1.012 91 D CA 0.683 54.755 54.000 0.121 0.000 0.905 91 D CB -0.631 40.215 40.800 0.078 0.000 0.895 91 D HN 0.638 nan 8.370 nan 0.000 0.532 92 A N -0.147 122.765 122.820 0.153 0.000 1.969 92 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 92 A C 1.512 179.102 177.584 0.010 0.000 1.169 92 A CA 0.657 52.738 52.037 0.073 0.000 0.635 92 A CB -1.018 18.027 19.000 0.075 0.000 0.810 92 A HN 0.309 nan 8.150 nan 0.000 0.445 93 Y N 0.579 120.947 120.300 0.113 0.000 2.578 93 Y HA 0.015 4.565 4.550 -0.000 0.000 0.297 93 Y C 2.051 178.016 175.900 0.108 0.000 1.176 93 Y CA 0.609 58.791 58.100 0.137 0.000 1.315 93 Y CB -0.223 38.335 38.460 0.164 0.000 1.031 93 Y HN 0.466 nan 8.280 nan 0.000 0.524 94 E N -0.500 119.796 120.200 0.159 0.000 2.118 94 E HA -0.278 4.072 4.350 -0.000 0.000 0.195 94 E C 2.247 178.905 176.600 0.097 0.000 0.992 94 E CA 1.575 58.044 56.400 0.115 0.000 0.804 94 E CB -0.312 29.435 29.700 0.079 0.000 0.741 94 E HN 0.672 nan 8.360 nan 0.000 0.458 95 C N -0.202 119.140 119.300 0.070 0.000 2.409 95 C HA -0.021 4.439 4.460 -0.000 0.000 0.288 95 C C 1.905 176.952 174.990 0.093 0.000 1.395 95 C CA 0.096 59.148 59.018 0.058 0.000 1.792 95 C CB -0.998 26.755 27.740 0.021 0.000 1.847 95 C HN 0.251 nan 8.230 nan 0.000 0.534 96 L N 0.937 122.249 121.223 0.148 0.000 2.818 96 L HA 0.184 4.524 4.340 -0.000 0.000 0.243 96 L C 1.817 178.800 176.870 0.188 0.000 1.185 96 L CA 0.392 55.353 54.840 0.203 0.000 0.988 96 L CB -0.510 41.748 42.059 0.333 0.000 1.292 96 L HN 0.248 nan 8.230 nan 0.000 0.519 97 D N 1.902 122.388 120.400 0.145 0.000 2.228 97 D HA -0.200 4.440 4.640 -0.000 0.000 0.203 97 D C 1.571 177.939 176.300 0.114 0.000 0.988 97 D CA 1.314 55.387 54.000 0.123 0.000 0.864 97 D CB 0.420 41.274 40.800 0.090 0.000 0.928 97 D HN 0.286 nan 8.370 nan 0.000 0.469 98 A N -0.943 121.939 122.820 0.103 0.000 2.708 98 A HA 0.476 4.796 4.320 -0.000 0.000 0.293 98 A C 0.526 178.181 177.584 0.118 0.000 1.303 98 A CA -0.293 51.792 52.037 0.081 0.000 0.949 98 A CB 0.367 19.391 19.000 0.041 0.000 1.121 98 A HN 0.047 nan 8.150 nan 0.000 0.542 99 S N -0.918 114.886 115.700 0.173 0.000 3.041 99 S HA 0.147 4.617 4.470 -0.000 0.000 0.250 99 S C 1.114 175.840 174.600 0.210 0.000 0.898 99 S CA -0.497 57.866 58.200 0.271 0.000 1.100 99 S CB 0.037 63.417 63.200 0.299 0.000 1.149 99 S HN 0.627 nan 8.310 nan 0.000 0.540 100 R N 1.758 122.361 120.500 0.171 0.000 2.115 100 R HA -0.020 4.320 4.340 -0.000 0.000 0.230 100 R C -1.159 175.221 176.300 0.132 0.000 1.111 100 R CA 1.219 57.421 56.100 0.170 0.000 0.976 100 R CB -1.201 29.271 30.300 0.288 0.000 0.870 100 R HN 0.302 nan 8.270 nan 0.000 0.445 101 P HA -0.133 nan 4.420 nan 0.000 0.219 101 P C 0.449 177.659 177.300 -0.150 0.000 1.150 101 P CA 0.926 63.984 63.100 -0.070 0.000 0.814 101 P CB -0.082 31.478 31.700 -0.233 0.000 0.787 102 W N -0.376 120.744 121.300 -0.300 0.000 2.338 102 W HA -0.157 4.503 4.660 0.000 0.000 0.304 102 W C 2.027 178.017 176.519 -0.882 0.000 1.212 102 W CA 0.456 57.390 57.345 -0.686 0.000 1.264 102 W CB -0.774 28.170 29.460 -0.860 0.000 1.142 102 W HN -0.115 nan 8.180 nan 0.000 0.512 103 L N -1.299 119.781 121.223 -0.238 0.000 2.093 103 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 103 L C 2.406 179.216 176.870 -0.099 0.000 1.085 103 L CA 0.828 55.628 54.840 -0.067 0.000 0.755 103 L CB -0.893 41.134 42.059 -0.054 0.000 0.904 103 L HN 0.085 nan 8.230 nan 0.000 0.435 104 C N -1.211 118.034 119.300 -0.093 0.000 2.432 104 C HA -0.234 4.226 4.460 -0.000 0.000 0.277 104 C C 2.736 177.701 174.990 -0.041 0.000 1.249 104 C CA 0.787 59.754 59.018 -0.084 0.000 1.725 104 C CB -0.654 27.059 27.740 -0.045 0.000 2.028 104 C HN 0.561 nan 8.230 nan 0.000 0.477 105 Y N 0.711 120.935 120.300 -0.127 0.000 2.036 105 Y HA -0.222 4.328 4.550 -0.000 0.000 0.273 105 Y C 2.360 178.323 175.900 0.105 0.000 1.135 105 Y CA 1.744 59.804 58.100 -0.068 0.000 1.106 105 Y CB -0.862 37.525 38.460 -0.121 0.000 0.976 105 Y HN 0.376 nan 8.280 nan 0.000 0.483 106 W N 0.708 121.991 121.300 -0.028 0.000 2.290 106 W HA -0.333 4.327 4.660 0.000 0.000 0.328 106 W C 2.552 178.930 176.519 -0.235 0.000 1.272 106 W CA 1.958 59.196 57.345 -0.179 0.000 1.262 106 W CB -1.531 28.009 29.460 0.132 0.000 1.151 106 W HN 0.256 nan 8.180 nan 0.000 0.473 107 I N -0.322 120.295 120.570 0.078 0.000 2.099 107 I HA -0.349 3.821 4.170 -0.000 0.000 0.239 107 I C 2.567 178.645 176.117 -0.066 0.000 1.066 107 I CA 1.453 62.734 61.300 -0.031 0.000 1.324 107 I CB -1.026 36.859 38.000 -0.192 0.000 1.037 107 I HN -0.142 nan 8.210 nan 0.000 0.401 108 L N -0.214 120.953 121.223 -0.093 0.000 2.081 108 L HA -0.296 4.044 4.340 -0.000 0.000 0.212 108 L C 2.740 179.560 176.870 -0.083 0.000 1.080 108 L CA 1.523 56.317 54.840 -0.076 0.000 0.754 108 L CB -0.821 41.197 42.059 -0.067 0.000 0.893 108 L HN 0.362 nan 8.230 nan 0.000 0.433 109 H N -0.481 118.399 119.070 -0.318 0.000 2.326 109 H HA -0.103 4.453 4.556 -0.000 0.000 0.301 109 H C 2.423 177.614 175.328 -0.228 0.000 1.081 109 H CA 1.652 57.491 56.048 -0.348 0.000 1.334 109 H CB -0.019 29.314 29.762 -0.715 0.000 1.385 109 H HN 0.118 nan 8.280 nan 0.000 0.504 110 S N 0.105 115.655 115.700 -0.249 0.000 2.365 110 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 110 S C 2.370 176.890 174.600 -0.133 0.000 1.039 110 S CA 1.446 59.518 58.200 -0.213 0.000 1.033 110 S CB -0.382 62.773 63.200 -0.075 0.000 0.887 110 S HN 0.356 nan 8.310 nan 0.000 0.447 111 L N 1.146 122.335 121.223 -0.057 0.000 2.017 111 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 111 L C 2.731 179.564 176.870 -0.063 0.000 1.073 111 L CA 1.526 56.366 54.840 0.000 0.000 0.745 111 L CB -0.622 41.470 42.059 0.056 0.000 0.894 111 L HN 0.421 nan 8.230 nan 0.000 0.432 112 E N 0.876 121.021 120.200 -0.092 0.000 2.049 112 E HA -0.267 4.083 4.350 -0.000 0.000 0.198 112 E C 2.335 178.864 176.600 -0.118 0.000 1.007 112 E CA 1.556 57.904 56.400 -0.087 0.000 0.809 112 E CB -0.141 29.528 29.700 -0.052 0.000 0.749 112 E HN 0.451 nan 8.360 nan 0.000 0.450 113 L N 0.522 121.617 121.223 -0.215 0.000 2.083 113 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 113 L C 2.486 179.299 176.870 -0.095 0.000 1.083 113 L CA 0.753 55.482 54.840 -0.184 0.000 0.752 113 L CB -0.249 41.636 42.059 -0.291 0.000 0.899 113 L HN 0.279 nan 8.230 nan 0.000 0.433 114 L N -0.288 120.882 121.223 -0.088 0.000 2.650 114 L HA -0.077 4.263 4.340 -0.000 0.000 0.235 114 L C 0.492 177.317 176.870 -0.075 0.000 1.149 114 L CA 0.091 54.900 54.840 -0.052 0.000 0.887 114 L CB -0.451 41.597 42.059 -0.017 0.000 1.021 114 L HN 0.315 nan 8.230 nan 0.000 0.441 115 D N 1.146 121.501 120.400 -0.075 0.000 2.751 115 D HA -0.191 4.449 4.640 -0.000 0.000 0.233 115 D C 0.089 176.324 176.300 -0.109 0.000 1.149 115 D CA 0.702 54.658 54.000 -0.075 0.000 0.682 115 D CB -0.317 40.448 40.800 -0.058 0.000 1.068 115 D HN 0.280 nan 8.370 nan 0.000 0.429 116 E N 0.859 120.986 120.200 -0.122 0.000 2.174 116 E HA 0.361 4.711 4.350 -0.000 0.000 0.282 116 E C -1.981 174.563 176.600 -0.093 0.000 0.992 116 E CA -1.521 54.770 56.400 -0.181 0.000 0.803 116 E CB 1.358 30.926 29.700 -0.219 0.000 1.090 116 E HN 0.291 nan 8.360 nan 0.000 0.396 117 P HA 0.292 nan 4.420 nan 0.000 0.278 117 P C -0.352 176.939 177.300 -0.014 0.000 1.238 117 P CA -0.553 62.520 63.100 -0.045 0.000 0.794 117 P CB 0.884 32.556 31.700 -0.047 0.000 0.955 118 I N 4.414 124.976 120.570 -0.013 0.000 2.312 118 I HA 0.262 4.432 4.170 -0.000 0.000 0.291 118 I C -1.907 174.205 176.117 -0.007 0.000 1.031 118 I CA -2.163 59.135 61.300 -0.002 0.000 1.293 118 I CB 0.018 38.006 38.000 -0.019 0.000 1.403 118 I HN 0.191 nan 8.210 nan 0.000 0.484 119 P HA 0.073 nan 4.420 nan 0.000 0.265 119 P C 0.417 177.709 177.300 -0.014 0.000 1.193 119 P CA -0.194 62.907 63.100 0.002 0.000 0.765 119 P CB 0.470 32.179 31.700 0.015 0.000 0.823 120 Q N 1.633 121.422 119.800 -0.018 0.000 2.173 120 Q HA -0.202 4.138 4.340 -0.000 0.000 0.208 120 Q C 1.697 177.682 176.000 -0.025 0.000 0.989 120 Q CA 1.419 57.207 55.803 -0.026 0.000 0.872 120 Q CB -0.371 28.353 28.738 -0.023 0.000 0.909 120 Q HN 0.559 nan 8.270 nan 0.000 0.420 121 I N 0.254 120.812 120.570 -0.019 0.000 2.163 121 I HA -0.237 3.933 4.170 -0.000 0.000 0.240 121 I C 2.298 178.400 176.117 -0.025 0.000 1.081 121 I CA 1.087 62.375 61.300 -0.020 0.000 1.353 121 I CB -0.418 37.572 38.000 -0.016 0.000 1.054 121 I HN 0.092 nan 8.210 nan 0.000 0.407 122 V N 0.603 120.501 119.914 -0.027 0.000 2.407 122 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 122 V C 2.730 178.801 176.094 -0.039 0.000 1.055 122 V CA 1.616 63.893 62.300 -0.037 0.000 1.049 122 V CB -1.676 30.123 31.823 -0.039 0.000 0.662 122 V HN 0.422 nan 8.190 nan 0.000 0.455 123 A N 0.807 123.603 122.820 -0.039 0.000 1.892 123 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 123 A C 2.411 179.966 177.584 -0.047 0.000 1.188 123 A CA 2.879 54.886 52.037 -0.051 0.000 0.631 123 A CB -1.319 17.647 19.000 -0.058 0.000 0.822 123 A HN 0.514 nan 8.150 nan 0.000 0.447 124 T N 0.108 114.640 114.554 -0.037 0.000 2.821 124 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 124 T C 1.468 176.162 174.700 -0.010 0.000 1.046 124 T CA 1.447 63.531 62.100 -0.027 0.000 1.139 124 T CB -0.397 68.458 68.868 -0.022 0.000 0.871 124 T HN 0.502 nan 8.240 nan 0.000 0.454 125 D N 0.895 121.289 120.400 -0.010 0.000 2.144 125 D HA -0.042 4.598 4.640 -0.000 0.000 0.200 125 D C 2.277 178.597 176.300 0.032 0.000 0.978 125 D CA 0.619 54.622 54.000 0.005 0.000 0.833 125 D CB -0.492 40.297 40.800 -0.019 0.000 0.961 125 D HN 0.223 nan 8.370 nan 0.000 0.470 126 V N 1.046 120.964 119.914 0.005 0.000 2.261 126 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 126 V C 2.808 178.928 176.094 0.043 0.000 1.047 126 V CA 1.358 63.672 62.300 0.023 0.000 1.015 126 V CB -0.708 31.098 31.823 -0.028 0.000 0.642 126 V HN 0.276 nan 8.190 nan 0.000 0.446 127 C N -0.417 118.882 119.300 -0.001 0.000 2.367 127 C HA -0.289 4.171 4.460 -0.000 0.000 0.276 127 C C 2.918 177.921 174.990 0.022 0.000 1.195 127 C CA 1.727 60.739 59.018 -0.010 0.000 1.756 127 C CB -1.220 26.505 27.740 -0.025 0.000 2.046 127 C HN 0.614 nan 8.230 nan 0.000 0.453 128 Q N -1.104 118.718 119.800 0.037 0.000 2.181 128 Q HA -0.232 4.108 4.340 -0.000 0.000 0.205 128 Q C 1.963 178.008 176.000 0.075 0.000 0.980 128 Q CA 1.840 57.672 55.803 0.049 0.000 0.862 128 Q CB -0.343 28.423 28.738 0.047 0.000 0.905 128 Q HN 0.806 nan 8.270 nan 0.000 0.429 129 F N 0.762 120.695 119.950 -0.027 0.000 2.163 129 F HA -0.106 4.421 4.527 0.000 0.000 0.297 129 F C 1.637 177.429 175.800 -0.013 0.000 1.094 129 F CA 1.058 59.042 58.000 -0.026 0.000 1.290 129 F CB -0.067 38.905 39.000 -0.047 0.000 1.017 129 F HN -0.051 nan 8.300 nan 0.000 0.483 130 L N 0.012 121.165 121.223 -0.116 0.000 2.093 130 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 130 L C 2.404 179.252 176.870 -0.037 0.000 1.085 130 L CA 1.584 56.315 54.840 -0.183 0.000 0.755 130 L CB -0.835 41.122 42.059 -0.169 0.000 0.904 130 L HN 0.166 nan 8.230 nan 0.000 0.435 131 E N 1.221 121.417 120.200 -0.007 0.000 2.058 131 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 131 E C 2.130 178.708 176.600 -0.035 0.000 0.997 131 E CA 1.514 57.935 56.400 0.036 0.000 0.801 131 E CB -0.344 29.366 29.700 0.018 0.000 0.746 131 E HN 0.407 nan 8.360 nan 0.000 0.450 132 L N -0.386 120.764 121.223 -0.121 0.000 2.265 132 L HA -0.138 4.202 4.340 -0.000 0.000 0.215 132 L C 1.912 178.649 176.870 -0.221 0.000 1.117 132 L CA 0.618 55.358 54.840 -0.166 0.000 0.782 132 L CB -0.184 41.763 42.059 -0.187 0.000 0.914 132 L HN 0.305 nan 8.230 nan 0.000 0.441 133 C N -0.880 118.266 119.300 -0.257 0.000 2.791 133 C HA 0.065 4.525 4.460 -0.000 0.000 0.270 133 C C 1.288 176.293 174.990 0.027 0.000 1.257 133 C CA -0.474 58.441 59.018 -0.172 0.000 1.699 133 C CB -1.022 26.559 27.740 -0.265 0.000 1.904 133 C HN 0.395 nan 8.230 nan 0.000 0.603 134 Q N 1.598 121.389 119.800 -0.015 0.000 2.322 134 Q HA 0.293 4.633 4.340 -0.000 0.000 0.256 134 Q C 0.288 176.094 176.000 -0.324 0.000 0.960 134 Q CA 0.070 55.647 55.803 -0.377 0.000 0.934 134 Q CB 0.783 29.262 28.738 -0.432 0.000 1.200 134 Q HN 0.422 nan 8.270 nan 0.000 0.435 135 S N 4.550 120.020 115.700 -0.384 0.000 2.573 135 S HA 0.140 4.610 4.470 -0.000 0.000 0.277 135 S C -1.438 173.018 174.600 -0.240 0.000 1.346 135 S CA -1.038 57.000 58.200 -0.271 0.000 1.034 135 S CB 0.589 63.600 63.200 -0.316 0.000 0.879 135 S HN 0.702 nan 8.310 nan 0.000 0.528 136 P HA 0.019 nan 4.420 nan 0.000 0.221 136 P C -0.004 177.226 177.300 -0.117 0.000 1.150 136 P CA 0.882 63.912 63.100 -0.117 0.000 0.800 136 P CB 0.016 31.670 31.700 -0.077 0.000 0.787 137 D N 0.142 120.460 120.400 -0.137 0.000 2.395 137 D HA 0.294 4.934 4.640 -0.000 0.000 0.226 137 D C 0.993 177.210 176.300 -0.139 0.000 1.146 137 D CA 0.418 54.352 54.000 -0.110 0.000 0.830 137 D CB -0.043 40.702 40.800 -0.091 0.000 0.958 137 D HN 0.159 nan 8.370 nan 0.000 0.501 138 G N -0.191 108.482 108.800 -0.212 0.000 2.721 138 G HA2 0.345 4.305 3.960 -0.000 0.000 0.686 138 G HA3 0.345 4.305 3.960 -0.000 0.000 0.686 138 G C 0.319 174.931 174.900 -0.480 0.000 1.236 138 G CA -0.458 44.503 45.100 -0.232 0.000 0.786 138 G HN 0.719 nan 8.290 nan 0.000 0.616 139 G N -0.347 108.173 108.800 -0.466 0.000 2.698 139 G HA2 0.404 4.364 3.960 -0.000 0.000 0.225 139 G HA3 0.404 4.364 3.960 -0.000 0.000 0.225 139 G C -0.483 173.885 174.900 -0.886 0.000 1.345 139 G CA 0.171 44.984 45.100 -0.478 0.000 0.871 139 G HN 1.878 nan 8.290 nan 0.000 0.540 140 F N 0.008 119.873 119.950 -0.141 0.000 2.588 140 F HA 0.696 5.223 4.527 -0.000 0.000 0.310 140 F C 0.918 176.656 175.800 -0.103 0.000 1.082 140 F CA 0.079 57.997 58.000 -0.138 0.000 0.929 140 F CB 2.204 41.120 39.000 -0.140 0.000 1.254 140 F HN 0.884 nan 8.300 nan 0.000 0.455 141 G N -0.083 108.755 108.800 0.065 0.000 2.521 141 G HA2 0.447 4.407 3.960 -0.000 0.000 0.323 141 G HA3 0.447 4.407 3.960 -0.000 0.000 0.323 141 G C 0.835 175.749 174.900 0.024 0.000 1.211 141 G CA -0.405 44.721 45.100 0.043 0.000 0.979 141 G HN 0.940 nan 8.290 nan 0.000 0.490 142 G N -1.590 107.224 108.800 0.024 0.000 2.564 142 G HA2 0.404 4.364 3.960 -0.000 0.000 0.216 142 G HA3 0.404 4.364 3.960 -0.000 0.000 0.216 142 G C 0.766 175.700 174.900 0.057 0.000 1.124 142 G CA 1.266 46.388 45.100 0.035 0.000 0.764 142 G HN 1.348 nan 8.290 nan 0.000 0.550 143 G N -1.628 107.179 108.800 0.012 0.000 2.342 143 G HA2 0.465 4.425 3.960 -0.000 0.000 0.297 143 G HA3 0.465 4.425 3.960 -0.000 0.000 0.297 143 G C -3.453 171.389 174.900 -0.095 0.000 1.313 143 G CA -0.939 44.165 45.100 0.008 0.000 0.830 143 G HN -0.080 nan 8.290 nan 0.000 0.506 144 P HA 0.374 nan 4.420 nan 0.000 0.271 144 P C 0.835 178.097 177.300 -0.063 0.000 1.226 144 P CA 1.759 64.783 63.100 -0.126 0.000 0.765 144 P CB 1.073 32.718 31.700 -0.093 0.000 0.835 145 G N 1.744 110.504 108.800 -0.067 0.000 2.143 145 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.248 145 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.248 145 G C -0.087 174.771 174.900 -0.069 0.000 0.991 145 G CA -0.278 44.790 45.100 -0.053 0.000 0.689 145 G HN 0.565 nan 8.290 nan 0.000 0.522 146 Q N -0.855 118.907 119.800 -0.063 0.000 2.266 146 Q HA 0.565 4.905 4.340 -0.000 0.000 0.261 146 Q C -0.197 175.812 176.000 0.015 0.000 0.985 146 Q CA -1.152 54.601 55.803 -0.083 0.000 0.873 146 Q CB 1.212 29.916 28.738 -0.055 0.000 1.306 146 Q HN 0.248 nan 8.270 nan 0.000 0.447 147 Y N 2.402 122.679 120.300 -0.038 0.000 2.805 147 Y HA -0.016 4.534 4.550 -0.000 0.000 0.337 147 Y C -1.746 174.127 175.900 -0.045 0.000 1.252 147 Y CA -1.783 56.290 58.100 -0.044 0.000 1.515 147 Y CB -0.590 37.864 38.460 -0.010 0.000 1.305 147 Y HN 0.403 nan 8.280 nan 0.000 0.600 148 P HA 0.043 nan 4.420 nan 0.000 0.272 148 P C -0.602 176.794 177.300 0.159 0.000 1.223 148 P CA 0.395 63.424 63.100 -0.120 0.000 0.784 148 P CB 1.141 32.427 31.700 -0.689 0.000 0.923 149 H N 2.082 121.242 119.070 0.150 0.000 2.954 149 H HA 0.182 4.738 4.556 -0.000 0.000 0.361 149 H C 0.936 176.443 175.328 0.297 0.000 1.122 149 H CA -0.568 55.660 56.048 0.299 0.000 1.217 149 H CB 1.562 31.452 29.762 0.212 0.000 1.776 149 H HN 0.227 nan 8.280 nan 0.000 0.533 150 L N 3.064 124.514 121.223 0.379 0.000 2.021 150 L HA -0.282 4.058 4.340 -0.000 0.000 0.215 150 L C 2.556 179.621 176.870 0.324 0.000 1.074 150 L CA 1.834 56.847 54.840 0.289 0.000 0.760 150 L CB -0.606 41.505 42.059 0.086 0.000 0.889 150 L HN 0.728 nan 8.230 nan 0.000 0.433 151 A N 0.828 123.994 122.820 0.575 0.000 1.848 151 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 151 A C -0.001 177.435 177.584 -0.247 0.000 1.220 151 A CA 2.419 54.663 52.037 0.345 0.000 0.645 151 A CB -2.183 17.158 19.000 0.567 0.000 0.842 151 A HN 0.346 nan 8.150 nan 0.000 0.451 152 P HA -0.134 nan 4.420 nan 0.000 0.219 152 P C 1.305 178.424 177.300 -0.302 0.000 1.146 152 P CA 1.905 64.732 63.100 -0.456 0.000 0.808 152 P CB -0.455 31.152 31.700 -0.155 0.000 0.779 153 T N -0.554 113.997 114.554 -0.006 0.000 2.674 153 T HA -0.206 4.144 4.350 -0.000 0.000 0.265 153 T C 1.720 176.376 174.700 -0.074 0.000 1.039 153 T CA 1.428 63.626 62.100 0.163 0.000 1.150 153 T CB -1.238 67.821 68.868 0.319 0.000 0.864 153 T HN 0.070 nan 8.240 nan 0.000 0.427 154 Y N 2.610 122.773 120.300 -0.229 0.000 2.114 154 Y HA -0.142 4.408 4.550 -0.000 0.000 0.282 154 Y C 2.450 178.072 175.900 -0.463 0.000 1.165 154 Y CA 1.021 58.940 58.100 -0.302 0.000 1.148 154 Y CB -1.060 37.227 38.460 -0.287 0.000 0.972 154 Y HN 0.182 nan 8.280 nan 0.000 0.504 155 A N 1.146 123.436 122.820 -0.883 0.000 1.837 155 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 155 A C 2.564 179.741 177.584 -0.679 0.000 1.210 155 A CA 2.829 54.248 52.037 -1.031 0.000 0.632 155 A CB -1.817 16.433 19.000 -1.250 0.000 0.843 155 A HN 0.760 nan 8.150 nan 0.000 0.448 156 A N -0.931 121.509 122.820 -0.634 0.000 1.903 156 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 156 A C 2.280 179.500 177.584 -0.608 0.000 1.191 156 A CA 2.419 54.040 52.037 -0.693 0.000 0.638 156 A CB -1.257 17.014 19.000 -1.215 0.000 0.823 156 A HN 0.552 nan 8.150 nan 0.000 0.451 157 V N 0.449 120.036 119.914 -0.546 0.000 2.261 157 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 157 V C 2.397 178.347 176.094 -0.240 0.000 1.047 157 V CA 2.286 64.409 62.300 -0.295 0.000 1.015 157 V CB -1.135 30.596 31.823 -0.154 0.000 0.642 157 V HN 0.585 nan 8.190 nan 0.000 0.446 158 N N 0.395 118.873 118.700 -0.370 0.000 2.061 158 N HA -0.192 4.548 4.740 -0.000 0.000 0.193 158 N C 1.797 177.255 175.510 -0.087 0.000 1.030 158 N CA 1.902 54.778 53.050 -0.290 0.000 0.856 158 N CB -0.579 37.512 38.487 -0.661 0.000 1.023 158 N HN 0.501 nan 8.380 nan 0.000 0.424 159 A N 0.404 123.164 122.820 -0.100 0.000 1.933 159 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 159 A C 2.386 179.922 177.584 -0.080 0.000 1.175 159 A CA 0.900 52.920 52.037 -0.029 0.000 0.628 159 A CB -0.677 18.286 19.000 -0.063 0.000 0.814 159 A HN 0.287 nan 8.150 nan 0.000 0.444 160 L N -0.878 120.268 121.223 -0.128 0.000 2.083 160 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 160 L C 2.578 179.377 176.870 -0.119 0.000 1.083 160 L CA 1.172 55.938 54.840 -0.122 0.000 0.752 160 L CB -0.536 41.463 42.059 -0.100 0.000 0.899 160 L HN 0.484 nan 8.230 nan 0.000 0.433 161 C N -0.383 118.906 119.300 -0.017 0.000 2.432 161 C HA -0.077 4.383 4.460 -0.000 0.000 0.280 161 C C 2.677 177.666 174.990 -0.002 0.000 1.353 161 C CA 0.181 59.239 59.018 0.066 0.000 1.766 161 C CB -0.617 27.211 27.740 0.148 0.000 1.924 161 C HN 0.431 nan 8.230 nan 0.000 0.509 162 I N 0.805 121.369 120.570 -0.010 0.000 2.315 162 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 162 I C 2.252 178.337 176.117 -0.053 0.000 1.117 162 I CA 1.648 62.949 61.300 0.002 0.000 1.404 162 I CB -0.320 37.699 38.000 0.031 0.000 1.071 162 I HN 0.309 nan 8.210 nan 0.000 0.419 163 I N 0.740 121.248 120.570 -0.104 0.000 2.286 163 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 163 I C 1.781 177.782 176.117 -0.194 0.000 1.115 163 I CA 1.156 62.374 61.300 -0.137 0.000 1.392 163 I CB -0.852 37.050 38.000 -0.162 0.000 1.065 163 I HN 0.459 nan 8.210 nan 0.000 0.418 164 G N 2.109 110.733 108.800 -0.294 0.000 2.225 164 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.267 164 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.267 164 G C 0.379 174.971 174.900 -0.513 0.000 1.024 164 G CA 0.626 45.502 45.100 -0.373 0.000 0.784 164 G HN 0.532 nan 8.290 nan 0.000 0.507 165 T N -3.775 110.401 114.554 -0.631 0.000 2.944 165 T HA 0.669 5.019 4.350 -0.000 0.000 0.284 165 T C 1.073 175.451 174.700 -0.538 0.000 1.010 165 T CA 0.315 62.154 62.100 -0.434 0.000 1.025 165 T CB 2.226 70.944 68.868 -0.251 0.000 1.079 165 T HN 0.240 nan 8.240 nan 0.000 0.516 166 E N 0.273 120.336 120.200 -0.228 0.000 2.110 166 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 166 E C 1.899 178.442 176.600 -0.095 0.000 0.988 166 E CA 1.560 57.895 56.400 -0.107 0.000 0.804 166 E CB -0.094 29.590 29.700 -0.026 0.000 0.745 166 E HN 0.846 nan 8.360 nan 0.000 0.458 167 E N -0.160 119.972 120.200 -0.113 0.000 2.058 167 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 167 E C 1.968 178.514 176.600 -0.090 0.000 0.997 167 E CA 1.144 57.501 56.400 -0.071 0.000 0.801 167 E CB -0.228 29.429 29.700 -0.071 0.000 0.746 167 E HN 0.372 nan 8.360 nan 0.000 0.450 168 A N 0.324 123.016 122.820 -0.213 0.000 1.883 168 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 168 A C 1.969 179.485 177.584 -0.113 0.000 1.186 168 A CA 1.718 53.614 52.037 -0.235 0.000 0.624 168 A CB -1.021 17.728 19.000 -0.418 0.000 0.822 168 A HN 0.406 nan 8.150 nan 0.000 0.444 169 Y N 0.576 120.849 120.300 -0.045 0.000 2.145 169 Y HA -0.150 4.400 4.550 0.000 0.000 0.286 169 Y C 2.159 178.190 175.900 0.218 0.000 1.145 169 Y CA 1.229 59.372 58.100 0.071 0.000 1.148 169 Y CB -0.824 37.416 38.460 -0.367 0.000 0.981 169 Y HN 0.298 nan 8.280 nan 0.000 0.507 170 N N -0.089 118.777 118.700 0.277 0.000 2.635 170 N HA -0.098 4.642 4.740 -0.000 0.000 0.191 170 N C 1.715 177.332 175.510 0.179 0.000 1.155 170 N CA 0.618 53.805 53.050 0.229 0.000 0.927 170 N CB -0.320 38.256 38.487 0.148 0.000 0.976 170 N HN 0.214 nan 8.380 nan 0.000 0.448 171 V N 0.874 120.890 119.914 0.170 0.000 2.453 171 V HA -0.044 4.076 4.120 -0.000 0.000 0.247 171 V C 1.161 177.377 176.094 0.202 0.000 1.048 171 V CA 0.602 62.992 62.300 0.150 0.000 1.049 171 V CB -0.162 31.735 31.823 0.124 0.000 0.672 171 V HN 0.196 nan 8.190 nan 0.000 0.457 172 I N 2.567 123.295 120.570 0.263 0.000 2.494 172 I HA 0.023 4.193 4.170 -0.000 0.000 0.289 172 I C 0.601 176.805 176.117 0.146 0.000 1.106 172 I CA 0.203 61.656 61.300 0.255 0.000 1.369 172 I CB -0.130 38.020 38.000 0.249 0.000 1.410 172 I HN 0.177 nan 8.210 nan 0.000 0.523 173 N N 7.557 126.291 118.700 0.056 0.000 2.508 173 N HA 0.087 4.827 4.740 -0.000 0.000 0.253 173 N C 1.098 176.611 175.510 0.005 0.000 1.145 173 N CA 0.056 53.117 53.050 0.018 0.000 0.973 173 N CB 0.429 38.895 38.487 -0.036 0.000 1.305 173 N HN 0.486 nan 8.380 nan 0.000 0.506 174 R N 1.993 122.508 120.500 0.025 0.000 2.096 174 R HA -0.191 4.149 4.340 -0.000 0.000 0.240 174 R C 0.995 177.296 176.300 0.002 0.000 1.139 174 R CA 1.687 57.783 56.100 -0.006 0.000 0.952 174 R CB 0.051 30.349 30.300 -0.004 0.000 0.854 174 R HN 0.462 nan 8.270 nan 0.000 0.436 175 E N 0.756 120.963 120.200 0.012 0.000 2.058 175 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 175 E C 1.876 178.488 176.600 0.019 0.000 0.997 175 E CA 1.247 57.657 56.400 0.015 0.000 0.801 175 E CB -0.030 29.675 29.700 0.010 0.000 0.746 175 E HN 0.127 nan 8.360 nan 0.000 0.450 176 K N 0.118 120.519 120.400 0.002 0.000 2.097 176 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 176 K C 2.094 178.712 176.600 0.030 0.000 1.050 176 K CA 0.430 56.716 56.287 -0.001 0.000 0.938 176 K CB -0.493 31.978 32.500 -0.049 0.000 0.718 176 K HN 0.123 nan 8.250 nan 0.000 0.442 177 L N 1.526 122.756 121.223 0.013 0.000 2.042 177 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 177 L C 2.168 179.080 176.870 0.069 0.000 1.076 177 L CA 1.323 56.190 54.840 0.045 0.000 0.749 177 L CB -0.771 41.295 42.059 0.013 0.000 0.893 177 L HN 0.084 nan 8.230 nan 0.000 0.432 178 L N -0.693 120.563 121.223 0.055 0.000 2.056 178 L HA -0.213 4.127 4.340 -0.000 0.000 0.207 178 L C 2.443 179.425 176.870 0.187 0.000 1.078 178 L CA 1.714 56.599 54.840 0.076 0.000 0.749 178 L CB -0.733 41.391 42.059 0.108 0.000 0.901 178 L HN 0.430 nan 8.230 nan 0.000 0.433 179 Q N -1.758 118.152 119.800 0.182 0.000 2.084 179 Q HA -0.265 4.075 4.340 -0.000 0.000 0.202 179 Q C 2.164 178.279 176.000 0.191 0.000 0.978 179 Q CA 2.019 57.938 55.803 0.193 0.000 0.844 179 Q CB -0.568 28.225 28.738 0.091 0.000 0.898 179 Q HN 0.597 nan 8.270 nan 0.000 0.426 180 Y N 1.501 121.819 120.300 0.031 0.000 2.128 180 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 180 Y C 1.804 177.720 175.900 0.026 0.000 1.154 180 Y CA 1.295 59.399 58.100 0.005 0.000 1.149 180 Y CB -0.464 37.974 38.460 -0.036 0.000 0.976 180 Y HN 0.024 nan 8.280 nan 0.000 0.505 181 L N -1.334 119.774 121.223 -0.191 0.000 2.081 181 L HA -0.315 4.025 4.340 -0.000 0.000 0.212 181 L C 2.257 179.026 176.870 -0.169 0.000 1.080 181 L CA 1.669 56.358 54.840 -0.252 0.000 0.754 181 L CB -0.839 41.078 42.059 -0.237 0.000 0.893 181 L HN 0.212 nan 8.230 nan 0.000 0.433 182 Y N 0.156 120.386 120.300 -0.117 0.000 2.224 182 Y HA -0.263 4.287 4.550 0.000 0.000 0.289 182 Y C 3.070 178.866 175.900 -0.174 0.000 1.146 182 Y CA 1.534 59.545 58.100 -0.148 0.000 1.182 182 Y CB -0.542 37.849 38.460 -0.115 0.000 0.983 182 Y HN 0.312 nan 8.280 nan 0.000 0.524 183 S N -0.529 115.175 115.700 0.006 0.000 2.402 183 S HA -0.143 4.327 4.470 -0.000 0.000 0.229 183 S C 1.773 176.297 174.600 -0.127 0.000 1.021 183 S CA 1.282 59.457 58.200 -0.041 0.000 0.974 183 S CB -0.785 62.431 63.200 0.027 0.000 0.800 183 S HN 0.472 nan 8.310 nan 0.000 0.484 184 L N -0.061 121.041 121.223 -0.202 0.000 2.375 184 L HA 0.282 4.622 4.340 -0.000 0.000 0.215 184 L C 1.043 177.742 176.870 -0.285 0.000 1.108 184 L CA -0.038 54.688 54.840 -0.190 0.000 0.830 184 L CB -0.340 41.609 42.059 -0.184 0.000 0.959 184 L HN 0.129 nan 8.230 nan 0.000 0.457 185 K N 1.745 121.863 120.400 -0.471 0.000 2.489 185 K HA 0.021 4.341 4.320 -0.000 0.000 0.278 185 K C -0.191 176.040 176.600 -0.614 0.000 1.000 185 K CA 0.660 56.334 56.287 -1.022 0.000 1.012 185 K CB 0.363 32.317 32.500 -0.910 0.000 0.903 185 K HN -0.045 nan 8.250 nan 0.000 0.485 186 Q N 4.350 123.752 119.800 -0.663 0.000 2.297 186 Q HA 0.337 4.677 4.340 -0.000 0.000 0.269 186 Q C -1.808 173.998 176.000 -0.324 0.000 1.051 186 Q CA -2.116 53.445 55.803 -0.403 0.000 0.869 186 Q CB 0.789 29.300 28.738 -0.378 0.000 1.346 186 Q HN 0.376 nan 8.270 nan 0.000 0.457 187 P HA -0.147 nan 4.420 nan 0.000 0.215 187 P C 0.513 177.751 177.300 -0.103 0.000 1.157 187 P CA 1.394 64.413 63.100 -0.135 0.000 0.863 187 P CB 0.161 31.807 31.700 -0.090 0.000 0.787 188 D N -1.513 118.837 120.400 -0.083 0.000 2.392 188 D HA -0.004 4.636 4.640 -0.000 0.000 0.228 188 D C 1.422 177.737 176.300 0.025 0.000 1.003 188 D CA 1.150 55.156 54.000 0.010 0.000 0.917 188 D CB -0.921 39.937 40.800 0.097 0.000 0.890 188 D HN 0.331 nan 8.370 nan 0.000 0.532 189 G N -0.435 108.287 108.800 -0.130 0.000 2.201 189 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.212 189 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.212 189 G C 0.398 175.113 174.900 -0.309 0.000 0.994 189 G CA 0.229 45.268 45.100 -0.102 0.000 0.644 189 G HN 0.718 nan 8.290 nan 0.000 0.508 190 S N -0.385 114.903 115.700 -0.687 0.000 2.713 190 S HA 0.872 5.342 4.470 -0.000 0.000 0.277 190 S C -0.499 173.738 174.600 -0.604 0.000 1.168 190 S CA -0.605 57.007 58.200 -0.980 0.000 0.994 190 S CB 1.752 63.959 63.200 -1.655 0.000 1.054 190 S HN 0.494 nan 8.310 nan 0.000 0.555 191 F N -0.592 119.042 119.950 -0.526 0.000 2.588 191 F HA 0.521 5.048 4.527 -0.000 0.000 0.310 191 F C -0.245 175.363 175.800 -0.319 0.000 1.082 191 F CA -1.003 56.784 58.000 -0.355 0.000 0.929 191 F CB 1.464 40.297 39.000 -0.278 0.000 1.254 191 F HN 0.426 nan 8.300 nan 0.000 0.455 192 L N 3.239 124.408 121.223 -0.090 0.000 2.418 192 L HA 0.204 4.544 4.340 -0.000 0.000 0.265 192 L C 1.296 178.076 176.870 -0.149 0.000 1.143 192 L CA -0.661 54.085 54.840 -0.157 0.000 0.809 192 L CB 0.601 42.538 42.059 -0.203 0.000 1.124 192 L HN 0.680 nan 8.230 nan 0.000 0.456 193 M N 0.562 120.041 119.600 -0.202 0.000 2.254 193 M HA -0.024 4.456 4.480 -0.000 0.000 0.265 193 M C 0.242 176.322 176.300 -0.367 0.000 1.066 193 M CA 1.286 56.436 55.300 -0.250 0.000 1.123 193 M CB -0.955 31.551 32.600 -0.158 0.000 1.388 193 M HN 0.793 nan 8.290 nan 0.000 0.425 194 H N -5.078 113.856 119.070 -0.226 0.000 2.987 194 H HA 0.451 5.007 4.556 -0.000 0.000 0.316 194 H C -0.942 174.385 175.328 -0.002 0.000 1.380 194 H CA -1.224 54.793 56.048 -0.051 0.000 1.160 194 H CB 0.347 30.097 29.762 -0.020 0.000 1.865 194 H HN -0.247 nan 8.280 nan 0.000 0.521 195 V N 1.627 121.605 119.914 0.107 0.000 2.617 195 V HA 0.293 4.413 4.120 -0.000 0.000 0.304 195 V C 1.632 177.719 176.094 -0.013 0.000 1.040 195 V CA 1.644 63.944 62.300 0.001 0.000 1.149 195 V CB 0.236 32.066 31.823 0.012 0.000 0.914 195 V HN 1.461 nan 8.190 nan 0.000 0.487 196 G N 3.254 111.995 108.800 -0.098 0.000 2.148 196 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.254 196 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.254 196 G C 0.490 175.308 174.900 -0.137 0.000 0.981 196 G CA 0.265 45.334 45.100 -0.052 0.000 0.670 196 G HN 1.323 nan 8.290 nan 0.000 0.528 197 G N -1.001 107.516 108.800 -0.472 0.000 2.782 197 G HA2 0.720 4.680 3.960 -0.000 0.000 0.201 197 G HA3 0.720 4.680 3.960 -0.000 0.000 0.201 197 G C -0.095 174.660 174.900 -0.242 0.000 1.374 197 G CA 0.085 44.854 45.100 -0.552 0.000 1.039 197 G HN 0.475 nan 8.290 nan 0.000 0.576 198 E N -2.091 118.008 120.200 -0.168 0.000 2.428 198 E HA 0.548 4.898 4.350 -0.000 0.000 0.259 198 E C -0.792 175.762 176.600 -0.077 0.000 0.930 198 E CA -0.891 55.461 56.400 -0.080 0.000 0.823 198 E CB 2.262 31.959 29.700 -0.005 0.000 1.403 198 E HN 0.478 nan 8.360 nan 0.000 0.415 199 V N -1.457 118.430 119.914 -0.044 0.000 3.158 199 V HA 0.821 4.941 4.120 -0.000 0.000 0.315 199 V C -1.392 174.739 176.094 0.060 0.000 1.148 199 V CA -0.578 61.687 62.300 -0.059 0.000 1.042 199 V CB 1.793 33.484 31.823 -0.219 0.000 1.101 199 V HN 0.924 nan 8.190 nan 0.000 0.448 200 D N -0.913 119.553 120.400 0.111 0.000 2.926 200 D HA 0.157 4.797 4.640 -0.000 0.000 0.282 200 D C 0.257 176.764 176.300 0.345 0.000 1.201 200 D CA -0.015 54.138 54.000 0.255 0.000 0.735 200 D CB 1.009 41.850 40.800 0.069 0.000 1.257 200 D HN 0.403 nan 8.370 nan 0.000 0.428 201 V N 0.661 120.804 119.914 0.382 0.000 2.469 201 V HA -0.286 3.834 4.120 -0.000 0.000 0.251 201 V C 2.569 178.859 176.094 0.327 0.000 1.064 201 V CA 2.473 65.024 62.300 0.418 0.000 1.066 201 V CB -1.212 30.774 31.823 0.272 0.000 0.667 201 V HN 0.705 nan 8.190 nan 0.000 0.461 202 R N 2.046 122.766 120.500 0.367 0.000 2.091 202 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 202 R C 2.372 178.801 176.300 0.215 0.000 1.136 202 R CA 2.079 58.365 56.100 0.309 0.000 0.959 202 R CB -1.249 29.230 30.300 0.298 0.000 0.856 202 R HN 0.617 nan 8.270 nan 0.000 0.437 203 S N 1.718 117.510 115.700 0.154 0.000 2.359 203 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 203 S C 2.453 176.999 174.600 -0.091 0.000 1.035 203 S CA 0.941 59.161 58.200 0.033 0.000 1.018 203 S CB -0.540 62.665 63.200 0.009 0.000 0.876 203 S HN 0.548 nan 8.310 nan 0.000 0.448 204 A N 1.220 124.025 122.820 -0.026 0.000 1.917 204 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 204 A C 2.106 179.630 177.584 -0.100 0.000 1.182 204 A CA 1.868 53.867 52.037 -0.064 0.000 0.633 204 A CB -1.342 17.737 19.000 0.131 0.000 0.819 204 A HN 0.670 nan 8.150 nan 0.000 0.448 205 Y N 0.135 120.380 120.300 -0.092 0.000 2.181 205 Y HA -0.250 4.300 4.550 0.000 0.000 0.288 205 Y C 2.533 178.322 175.900 -0.184 0.000 1.146 205 Y CA 1.175 59.193 58.100 -0.135 0.000 1.164 205 Y CB -0.977 37.429 38.460 -0.090 0.000 0.982 205 Y HN 0.381 nan 8.280 nan 0.000 0.515 206 C N 0.395 119.414 119.300 -0.468 0.000 2.413 206 C HA -0.148 4.312 4.460 -0.000 0.000 0.276 206 C C 3.080 177.901 174.990 -0.283 0.000 1.236 206 C CA 1.332 60.098 59.018 -0.421 0.000 1.735 206 C CB -1.759 25.902 27.740 -0.132 0.000 2.031 206 C HN 0.747 nan 8.230 nan 0.000 0.474 207 A N 0.584 123.209 122.820 -0.325 0.000 1.845 207 A HA 0.064 4.384 4.320 -0.000 0.000 0.215 207 A C 2.410 179.923 177.584 -0.118 0.000 1.195 207 A CA 2.312 54.169 52.037 -0.300 0.000 0.616 207 A CB -1.329 17.218 19.000 -0.755 0.000 0.832 207 A HN 0.591 nan 8.150 nan 0.000 0.443 208 A N -0.385 122.278 122.820 -0.262 0.000 1.881 208 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 208 A C 2.532 179.995 177.584 -0.202 0.000 1.215 208 A CA 3.094 54.870 52.037 -0.435 0.000 0.648 208 A CB -1.425 17.303 19.000 -0.452 0.000 0.832 208 A HN 0.833 nan 8.150 nan 0.000 0.455 209 S N -0.864 114.699 115.700 -0.228 0.000 2.392 209 S HA -0.195 4.275 4.470 -0.000 0.000 0.225 209 S C 1.917 176.597 174.600 0.134 0.000 1.041 209 S CA 2.386 60.583 58.200 -0.005 0.000 1.100 209 S CB -0.946 62.168 63.200 -0.144 0.000 1.029 209 S HN 0.463 nan 8.310 nan 0.000 0.424 210 V N 2.773 122.716 119.914 0.049 0.000 2.231 210 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 210 V C 3.012 179.101 176.094 -0.008 0.000 1.054 210 V CA 2.230 64.544 62.300 0.024 0.000 1.015 210 V CB -1.712 30.124 31.823 0.022 0.000 0.638 210 V HN 0.706 nan 8.190 nan 0.000 0.444 211 A N 0.821 123.654 122.820 0.021 0.000 1.908 211 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 211 A C 2.539 180.137 177.584 0.023 0.000 1.181 211 A CA 2.784 54.843 52.037 0.036 0.000 0.627 211 A CB -0.915 18.187 19.000 0.169 0.000 0.818 211 A HN 0.736 nan 8.150 nan 0.000 0.445 212 S N 0.067 115.799 115.700 0.053 0.000 2.368 212 S HA -0.095 4.375 4.470 -0.000 0.000 0.225 212 S C 1.901 176.515 174.600 0.023 0.000 1.030 212 S CA 1.471 59.710 58.200 0.065 0.000 0.999 212 S CB -0.745 62.531 63.200 0.127 0.000 0.844 212 S HN 0.448 nan 8.310 nan 0.000 0.459 213 L N 1.810 123.023 121.223 -0.016 0.000 2.027 213 L HA -0.057 4.283 4.340 -0.000 0.000 0.206 213 L C 2.920 179.705 176.870 -0.142 0.000 1.074 213 L CA 1.666 56.457 54.840 -0.083 0.000 0.745 213 L CB -1.186 40.792 42.059 -0.135 0.000 0.898 213 L HN 0.567 nan 8.230 nan 0.000 0.433 214 T N -3.635 110.675 114.554 -0.406 0.000 3.148 214 T HA 0.009 4.359 4.350 -0.000 0.000 0.253 214 T C 0.773 175.221 174.700 -0.420 0.000 1.134 214 T CA 0.219 61.728 62.100 -0.986 0.000 1.051 214 T CB -0.448 67.917 68.868 -0.838 0.000 0.959 214 T HN 0.364 nan 8.240 nan 0.000 0.525 215 N N 1.363 119.980 118.700 -0.139 0.000 2.608 215 N HA -0.182 4.558 4.740 -0.000 0.000 0.273 215 N C 0.124 175.616 175.510 -0.029 0.000 1.133 215 N CA 0.840 53.875 53.050 -0.025 0.000 0.726 215 N CB -1.792 36.719 38.487 0.040 0.000 0.890 215 N HN 0.899 nan 8.380 nan 0.000 0.548 216 I N -1.795 118.765 120.570 -0.018 0.000 3.813 216 I HA 0.385 4.555 4.170 -0.000 0.000 0.323 216 I C -0.133 176.004 176.117 0.034 0.000 1.536 216 I CA -0.683 60.617 61.300 -0.000 0.000 1.083 216 I CB 0.148 38.132 38.000 -0.027 0.000 1.265 216 I HN 0.063 nan 8.210 nan 0.000 0.507 217 I N 3.741 124.352 120.570 0.070 0.000 2.421 217 I HA 0.145 4.315 4.170 -0.000 0.000 0.291 217 I C 0.935 177.104 176.117 0.087 0.000 1.089 217 I CA 0.125 61.496 61.300 0.118 0.000 1.354 217 I CB 0.803 38.916 38.000 0.187 0.000 1.413 217 I HN 0.360 nan 8.210 nan 0.000 0.513 218 T N 2.946 117.538 114.554 0.063 0.000 2.927 218 T HA 0.350 4.700 4.350 -0.000 0.000 0.281 218 T C -1.695 173.051 174.700 0.077 0.000 0.998 218 T CA -1.910 60.237 62.100 0.079 0.000 1.019 218 T CB 1.593 70.540 68.868 0.131 0.000 1.061 218 T HN 0.263 nan 8.240 nan 0.000 0.518 219 P HA -0.103 nan 4.420 nan 0.000 0.218 219 P C 0.923 178.260 177.300 0.063 0.000 1.146 219 P CA 1.216 64.355 63.100 0.066 0.000 0.820 219 P CB 0.060 31.790 31.700 0.050 0.000 0.778 220 D N -2.443 117.994 120.400 0.062 0.000 2.433 220 D HA 0.015 4.655 4.640 -0.000 0.000 0.211 220 D C 1.655 177.933 176.300 -0.037 0.000 1.114 220 D CA -0.180 53.845 54.000 0.042 0.000 0.837 220 D CB -0.690 40.147 40.800 0.061 0.000 0.984 220 D HN 0.037 nan 8.370 nan 0.000 0.505 221 L N 0.188 121.325 121.223 -0.143 0.000 2.043 221 L HA -0.035 4.305 4.340 -0.000 0.000 0.212 221 L C 0.779 177.250 176.870 -0.665 0.000 1.075 221 L CA 1.633 56.139 54.840 -0.558 0.000 0.752 221 L CB -0.536 41.091 42.059 -0.719 0.000 0.891 221 L HN -0.091 nan 8.230 nan 0.000 0.432 222 F N -0.162 119.794 119.950 0.011 0.000 2.925 222 F HA 0.304 4.831 4.527 -0.000 0.000 0.302 222 F C 0.713 176.530 175.800 0.029 0.000 1.189 222 F CA -0.797 57.239 58.000 0.060 0.000 1.346 222 F CB -0.564 38.476 39.000 0.067 0.000 0.954 222 F HN 0.068 nan 8.300 nan 0.000 0.506 223 E N 0.532 120.768 120.200 0.060 0.000 2.351 223 E HA 0.320 4.670 4.350 -0.000 0.000 0.266 223 E C 1.424 178.051 176.600 0.045 0.000 1.031 223 E CA 0.874 57.302 56.400 0.046 0.000 0.911 223 E CB 0.275 29.974 29.700 -0.003 0.000 0.986 223 E HN 0.634 nan 8.360 nan 0.000 0.446 224 G N 3.587 112.433 108.800 0.078 0.000 2.245 224 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.264 224 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.264 224 G C 1.095 176.084 174.900 0.149 0.000 0.985 224 G CA 0.732 45.885 45.100 0.088 0.000 0.625 224 G HN 0.634 nan 8.290 nan 0.000 0.536 225 T N 1.185 115.850 114.554 0.184 0.000 2.665 225 T HA 0.020 4.370 4.350 -0.000 0.000 0.268 225 T C 2.797 177.662 174.700 0.275 0.000 1.035 225 T CA 2.840 65.104 62.100 0.273 0.000 1.151 225 T CB -0.567 68.560 68.868 0.432 0.000 0.862 225 T HN 1.326 nan 8.240 nan 0.000 0.438 226 A N 1.627 124.557 122.820 0.183 0.000 1.883 226 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 226 A C 2.244 179.896 177.584 0.113 0.000 1.186 226 A CA 1.966 54.075 52.037 0.121 0.000 0.624 226 A CB -0.685 18.356 19.000 0.068 0.000 0.822 226 A HN 0.450 nan 8.150 nan 0.000 0.444 227 E N -1.316 118.952 120.200 0.113 0.000 2.085 227 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 227 E C 1.540 178.186 176.600 0.076 0.000 0.994 227 E CA 1.376 57.821 56.400 0.075 0.000 0.801 227 E CB -0.399 29.345 29.700 0.073 0.000 0.743 227 E HN 0.825 nan 8.360 nan 0.000 0.453 228 W N 1.089 122.391 121.300 0.003 0.000 2.332 228 W HA -0.170 4.490 4.660 0.000 0.000 0.321 228 W C 1.845 178.356 176.519 -0.013 0.000 1.219 228 W CA 1.831 59.175 57.345 -0.003 0.000 1.277 228 W CB -0.383 29.086 29.460 0.015 0.000 1.161 228 W HN -0.013 nan 8.180 nan 0.000 0.476 229 I N 0.816 121.509 120.570 0.205 0.000 2.194 229 I HA -0.368 3.802 4.170 -0.000 0.000 0.246 229 I C 2.548 178.570 176.117 -0.158 0.000 1.093 229 I CA 1.593 62.911 61.300 0.030 0.000 1.355 229 I CB -1.295 36.795 38.000 0.150 0.000 1.046 229 I HN 0.138 nan 8.210 nan 0.000 0.413 230 A N 0.940 123.699 122.820 -0.102 0.000 1.933 230 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 230 A C 2.328 179.800 177.584 -0.186 0.000 1.175 230 A CA 1.380 53.345 52.037 -0.120 0.000 0.628 230 A CB -0.583 18.376 19.000 -0.068 0.000 0.814 230 A HN 0.362 nan 8.150 nan 0.000 0.444 231 R N -1.192 119.157 120.500 -0.253 0.000 2.328 231 R HA -0.059 4.281 4.340 -0.000 0.000 0.207 231 R C 1.544 177.622 176.300 -0.370 0.000 1.056 231 R CA 0.962 56.884 56.100 -0.297 0.000 1.016 231 R CB -0.562 29.530 30.300 -0.347 0.000 0.872 231 R HN 0.617 nan 8.270 nan 0.000 0.471 232 C N -0.066 118.978 119.300 -0.426 0.000 2.590 232 C HA 0.018 4.478 4.460 -0.000 0.000 0.272 232 C C 1.309 176.119 174.990 -0.299 0.000 1.338 232 C CA -0.464 58.309 59.018 -0.409 0.000 1.746 232 C CB -0.477 26.975 27.740 -0.480 0.000 2.020 232 C HN 0.466 nan 8.230 nan 0.000 0.531 233 Q N 3.090 122.732 119.800 -0.262 0.000 2.255 233 Q HA 0.048 4.388 4.340 -0.000 0.000 0.280 233 Q C 0.232 176.083 176.000 -0.249 0.000 1.068 233 Q CA 0.358 56.001 55.803 -0.266 0.000 0.911 233 Q CB 0.451 29.061 28.738 -0.213 0.000 1.157 233 Q HN 0.714 nan 8.270 nan 0.000 0.380 234 N N 4.164 122.668 118.700 -0.326 0.000 2.538 234 N HA 0.081 4.821 4.740 -0.000 0.000 0.292 234 N C 0.978 176.330 175.510 -0.263 0.000 1.262 234 N CA -0.441 52.442 53.050 -0.279 0.000 0.976 234 N CB -0.138 38.126 38.487 -0.372 0.000 1.161 234 N HN 0.854 nan 8.380 nan 0.000 0.598 235 W N -0.154 121.074 121.300 -0.119 0.000 2.308 235 W HA -0.168 4.492 4.660 -0.000 0.000 0.301 235 W C 0.621 177.094 176.519 -0.076 0.000 1.220 235 W CA 1.189 58.486 57.345 -0.081 0.000 1.240 235 W CB -1.083 28.347 29.460 -0.050 0.000 1.142 235 W HN 0.587 nan 8.180 nan 0.000 0.521 236 E N 0.331 120.070 120.200 -0.768 0.000 2.338 236 E HA 0.098 4.448 4.350 -0.000 0.000 0.197 236 E C 2.031 178.399 176.600 -0.386 0.000 1.007 236 E CA 0.949 56.984 56.400 -0.609 0.000 0.849 236 E CB -0.531 28.608 29.700 -0.935 0.000 0.774 236 E HN 0.494 nan 8.360 nan 0.000 0.506 237 G N 0.569 109.108 108.800 -0.436 0.000 2.195 237 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.224 237 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.224 237 G C 0.471 175.019 174.900 -0.586 0.000 0.990 237 G CA -0.229 44.676 45.100 -0.324 0.000 0.639 237 G HN 0.537 nan 8.290 nan 0.000 0.514 238 G N -0.708 107.385 108.800 -1.179 0.000 2.557 238 G HA2 0.691 4.651 3.960 -0.000 0.000 0.302 238 G HA3 0.691 4.651 3.960 -0.000 0.000 0.302 238 G C -0.419 173.983 174.900 -0.831 0.000 1.311 238 G CA -0.854 43.325 45.100 -1.536 0.000 1.030 238 G HN 0.606 nan 8.290 nan 0.000 0.509 239 I N 0.301 120.493 120.570 -0.631 0.000 2.433 239 I HA 0.450 4.620 4.170 -0.000 0.000 0.292 239 I C 0.894 176.894 176.117 -0.194 0.000 1.001 239 I CA -0.619 60.480 61.300 -0.336 0.000 1.119 239 I CB 2.081 39.960 38.000 -0.202 0.000 1.289 239 I HN 0.607 nan 8.210 nan 0.000 0.438 240 G N 2.877 111.550 108.800 -0.211 0.000 2.532 240 G HA2 0.423 4.383 3.960 -0.000 0.000 0.291 240 G HA3 0.423 4.383 3.960 -0.000 0.000 0.291 240 G C 0.868 175.549 174.900 -0.364 0.000 1.349 240 G CA 0.002 44.998 45.100 -0.173 0.000 1.038 240 G HN 0.739 nan 8.290 nan 0.000 0.518 241 G N -1.512 106.804 108.800 -0.805 0.000 2.396 241 G HA2 0.286 4.246 3.960 -0.000 0.000 0.214 241 G HA3 0.286 4.246 3.960 -0.000 0.000 0.214 241 G C 0.568 175.213 174.900 -0.426 0.000 1.166 241 G CA 1.568 45.952 45.100 -1.194 0.000 0.793 241 G HN 1.333 nan 8.290 nan 0.000 0.533 242 V N -3.184 116.531 119.914 -0.332 0.000 2.823 242 V HA 0.664 4.784 4.120 -0.000 0.000 0.312 242 V C -2.926 172.994 176.094 -0.289 0.000 1.072 242 V CA -3.181 58.986 62.300 -0.221 0.000 0.937 242 V CB 2.030 33.822 31.823 -0.052 0.000 1.013 242 V HN -0.095 nan 8.190 nan 0.000 0.430 243 P HA 0.284 nan 4.420 nan 0.000 0.264 243 P C 1.090 178.293 177.300 -0.161 0.000 1.179 243 P CA 2.130 65.055 63.100 -0.292 0.000 0.763 243 P CB 0.632 32.144 31.700 -0.313 0.000 0.806 244 G N 1.423 110.152 108.800 -0.118 0.000 2.317 244 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.227 244 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.227 244 G C 0.294 175.182 174.900 -0.021 0.000 1.042 244 G CA -0.291 44.785 45.100 -0.041 0.000 0.623 244 G HN 0.433 nan 8.290 nan 0.000 0.509 245 M N 1.846 121.401 119.600 -0.074 0.000 2.250 245 M HA 0.290 4.770 4.480 -0.000 0.000 0.325 245 M C 0.860 177.123 176.300 -0.061 0.000 1.084 245 M CA -0.367 54.897 55.300 -0.060 0.000 1.161 245 M CB 0.409 32.942 32.600 -0.112 0.000 1.481 245 M HN 0.492 nan 8.290 nan 0.000 0.449 246 E N 1.166 121.362 120.200 -0.006 0.000 2.481 246 E HA 0.215 4.565 4.350 -0.000 0.000 0.263 246 E C -0.607 175.951 176.600 -0.072 0.000 0.992 246 E CA -0.318 56.071 56.400 -0.020 0.000 0.938 246 E CB 0.662 30.403 29.700 0.068 0.000 0.933 246 E HN 0.686 nan 8.360 nan 0.000 0.453 247 A N 4.787 127.473 122.820 -0.222 0.000 2.440 247 A HA 0.142 4.462 4.320 -0.000 0.000 0.251 247 A C -0.496 177.112 177.584 0.040 0.000 1.089 247 A CA 0.011 51.859 52.037 -0.316 0.000 0.779 247 A CB 0.435 18.939 19.000 -0.827 0.000 1.022 247 A HN 0.721 nan 8.150 nan 0.000 0.492 248 H N 1.347 120.432 119.070 0.025 0.000 3.026 248 H HA 0.355 4.911 4.556 -0.000 0.000 0.352 248 H C 1.112 176.603 175.328 0.272 0.000 1.090 248 H CA 0.083 56.272 56.048 0.235 0.000 1.268 248 H CB 1.406 31.290 29.762 0.204 0.000 1.816 248 H HN 0.757 nan 8.280 nan 0.000 0.518 249 G N 3.117 111.889 108.800 -0.046 0.000 2.766 249 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.222 249 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.222 249 G C 1.533 176.545 174.900 0.186 0.000 1.225 249 G CA 1.505 46.676 45.100 0.119 0.000 0.784 249 G HN 0.760 nan 8.290 nan 0.000 0.631 250 G N 0.046 108.932 108.800 0.144 0.000 2.631 250 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.219 250 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.219 250 G C 1.647 176.427 174.900 -0.201 0.000 1.214 250 G CA 1.499 46.373 45.100 -0.377 0.000 0.785 250 G HN 0.474 nan 8.290 nan 0.000 0.596 251 Y N 1.173 121.507 120.300 0.056 0.000 2.165 251 Y HA -0.097 4.453 4.550 -0.000 0.000 0.286 251 Y C 3.395 179.286 175.900 -0.015 0.000 1.155 251 Y CA 1.452 59.554 58.100 0.002 0.000 1.164 251 Y CB -1.114 37.345 38.460 -0.001 0.000 0.978 251 Y HN 0.153 nan 8.280 nan 0.000 0.513 252 T N 0.532 115.181 114.554 0.158 0.000 2.684 252 T HA -0.262 4.088 4.350 -0.000 0.000 0.267 252 T C 1.682 176.390 174.700 0.013 0.000 1.036 252 T CA 1.727 63.848 62.100 0.035 0.000 1.148 252 T CB -0.825 68.084 68.868 0.069 0.000 0.863 252 T HN 0.353 nan 8.240 nan 0.000 0.436 253 F N 1.327 121.241 119.950 -0.061 0.000 2.069 253 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 253 F C 2.586 178.244 175.800 -0.236 0.000 1.113 253 F CA 0.945 58.867 58.000 -0.129 0.000 1.214 253 F CB -0.871 38.092 39.000 -0.061 0.000 0.978 253 F HN 0.163 nan 8.300 nan 0.000 0.474 254 C N 0.999 120.228 119.300 -0.117 0.000 2.385 254 C HA -0.184 4.276 4.460 -0.000 0.000 0.275 254 C C 3.058 177.936 174.990 -0.186 0.000 1.207 254 C CA 1.314 60.154 59.018 -0.296 0.000 1.760 254 C CB -1.993 25.758 27.740 0.017 0.000 2.051 254 C HN 0.778 nan 8.230 nan 0.000 0.467 255 G N 0.146 108.894 108.800 -0.087 0.000 2.552 255 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 255 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 255 G C 1.449 176.267 174.900 -0.138 0.000 1.240 255 G CA 1.145 46.208 45.100 -0.062 0.000 0.796 255 G HN 0.438 nan 8.290 nan 0.000 0.568 256 L N 1.592 122.690 121.223 -0.207 0.000 2.042 256 L HA 0.048 4.388 4.340 -0.000 0.000 0.210 256 L C 3.105 179.812 176.870 -0.272 0.000 1.076 256 L CA 2.313 57.022 54.840 -0.218 0.000 0.749 256 L CB -0.946 40.981 42.059 -0.220 0.000 0.893 256 L HN 0.291 nan 8.230 nan 0.000 0.432 257 A N -0.424 122.112 122.820 -0.472 0.000 1.883 257 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 257 A C 2.494 179.963 177.584 -0.192 0.000 1.186 257 A CA 2.257 54.021 52.037 -0.455 0.000 0.624 257 A CB -1.350 17.132 19.000 -0.865 0.000 0.822 257 A HN 0.610 nan 8.150 nan 0.000 0.444 258 A N -0.130 122.633 122.820 -0.095 0.000 1.873 258 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 258 A C 2.199 179.721 177.584 -0.103 0.000 1.193 258 A CA 1.775 53.797 52.037 -0.026 0.000 0.629 258 A CB -0.812 18.208 19.000 0.032 0.000 0.826 258 A HN 0.506 nan 8.150 nan 0.000 0.447 259 L N -0.411 120.756 121.223 -0.093 0.000 2.042 259 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 259 L C 2.548 179.371 176.870 -0.079 0.000 1.076 259 L CA 1.363 56.156 54.840 -0.078 0.000 0.749 259 L CB -0.730 41.289 42.059 -0.067 0.000 0.893 259 L HN 0.294 nan 8.230 nan 0.000 0.432 260 V N 0.202 120.060 119.914 -0.093 0.000 2.392 260 V HA -0.299 3.821 4.120 -0.000 0.000 0.249 260 V C 2.317 178.384 176.094 -0.045 0.000 1.059 260 V CA 1.786 64.048 62.300 -0.064 0.000 1.051 260 V CB -0.393 31.384 31.823 -0.076 0.000 0.658 260 V HN 0.345 nan 8.190 nan 0.000 0.455 261 I N -0.390 120.132 120.570 -0.080 0.000 2.252 261 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 261 I C 1.923 177.988 176.117 -0.086 0.000 1.102 261 I CA 1.547 62.802 61.300 -0.074 0.000 1.385 261 I CB -0.203 37.715 38.000 -0.137 0.000 1.064 261 I HN 0.249 nan 8.210 nan 0.000 0.414 262 L N 0.625 121.773 121.223 -0.124 0.000 2.612 262 L HA 0.058 4.398 4.340 -0.000 0.000 0.230 262 L C 0.430 177.276 176.870 -0.040 0.000 1.140 262 L CA 0.180 54.955 54.840 -0.108 0.000 0.896 262 L CB -0.442 41.530 42.059 -0.144 0.000 1.065 262 L HN 0.240 nan 8.230 nan 0.000 0.447 263 K N 0.294 120.677 120.400 -0.027 0.000 3.035 263 K HA -0.184 4.136 4.320 -0.000 0.000 0.262 263 K C 0.194 176.790 176.600 -0.006 0.000 1.024 263 K CA 0.401 56.684 56.287 -0.006 0.000 0.748 263 K CB -0.828 31.678 32.500 0.010 0.000 1.247 263 K HN 0.170 nan 8.250 nan 0.000 0.482 264 K N 0.138 120.528 120.400 -0.017 0.000 2.564 264 K HA 0.068 4.388 4.320 -0.000 0.000 0.205 264 K C 0.462 177.051 176.600 -0.019 0.000 1.053 264 K CA 0.065 56.346 56.287 -0.011 0.000 1.072 264 K CB 0.823 33.322 32.500 -0.003 0.000 0.822 264 K HN 0.211 nan 8.250 nan 0.000 0.497 265 E N 0.792 120.977 120.200 -0.025 0.000 2.171 265 E HA -0.147 4.203 4.350 -0.000 0.000 0.197 265 E C 1.446 178.030 176.600 -0.026 0.000 0.997 265 E CA 1.124 57.504 56.400 -0.033 0.000 0.810 265 E CB -0.116 29.565 29.700 -0.032 0.000 0.738 265 E HN 0.202 nan 8.360 nan 0.000 0.467 266 R N 0.572 121.063 120.500 -0.015 0.000 2.293 266 R HA -0.006 4.334 4.340 -0.000 0.000 0.219 266 R C 1.908 178.199 176.300 -0.015 0.000 1.091 266 R CA 1.066 57.158 56.100 -0.012 0.000 1.004 266 R CB -0.263 30.033 30.300 -0.006 0.000 0.865 266 R HN 0.106 nan 8.270 nan 0.000 0.469 267 S N 0.949 116.639 115.700 -0.017 0.000 2.423 267 S HA 0.006 4.476 4.470 -0.000 0.000 0.231 267 S C 1.045 175.626 174.600 -0.032 0.000 1.014 267 S CA 0.638 58.827 58.200 -0.019 0.000 0.965 267 S CB -0.012 63.179 63.200 -0.015 0.000 0.785 267 S HN 0.179 nan 8.310 nan 0.000 0.495 268 L N 2.230 123.429 121.223 -0.040 0.000 2.379 268 L HA 0.343 4.683 4.340 -0.000 0.000 0.269 268 L C 0.459 177.305 176.870 -0.041 0.000 1.084 268 L CA -0.747 54.061 54.840 -0.053 0.000 0.802 268 L CB 0.317 42.336 42.059 -0.068 0.000 1.175 268 L HN 0.044 nan 8.230 nan 0.000 0.448 269 N N 2.459 121.132 118.700 -0.045 0.000 2.466 269 N HA 0.090 4.830 4.740 -0.000 0.000 0.263 269 N C 0.738 176.234 175.510 -0.023 0.000 1.178 269 N CA 0.129 53.162 53.050 -0.028 0.000 0.983 269 N CB 0.418 38.889 38.487 -0.027 0.000 1.331 269 N HN 0.583 nan 8.380 nan 0.000 0.500 270 L N 2.094 123.310 121.223 -0.013 0.000 2.191 270 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 270 L C 2.302 179.184 176.870 0.020 0.000 1.103 270 L CA 1.020 55.859 54.840 -0.001 0.000 0.769 270 L CB -0.267 41.794 42.059 0.003 0.000 0.908 270 L HN 0.537 nan 8.230 nan 0.000 0.438 271 K N 0.792 121.205 120.400 0.021 0.000 2.002 271 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 271 K C 2.361 178.991 176.600 0.050 0.000 1.048 271 K CA 1.941 58.251 56.287 0.037 0.000 0.930 271 K CB -0.070 32.449 32.500 0.033 0.000 0.714 271 K HN 0.317 nan 8.250 nan 0.000 0.438 272 S N 1.022 116.743 115.700 0.035 0.000 2.382 272 S HA -0.172 4.298 4.470 -0.000 0.000 0.228 272 S C 1.988 176.628 174.600 0.066 0.000 1.027 272 S CA 1.099 59.325 58.200 0.043 0.000 0.991 272 S CB -0.561 62.643 63.200 0.007 0.000 0.823 272 S HN 0.346 nan 8.310 nan 0.000 0.469 273 L N 1.241 122.484 121.223 0.032 0.000 2.017 273 L HA 0.109 4.449 4.340 -0.000 0.000 0.208 273 L C 2.306 179.282 176.870 0.176 0.000 1.073 273 L CA 1.590 56.468 54.840 0.064 0.000 0.745 273 L CB -0.978 41.079 42.059 -0.003 0.000 0.894 273 L HN 0.387 nan 8.230 nan 0.000 0.432 274 L N -0.486 120.808 121.223 0.119 0.000 2.012 274 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 274 L C 2.595 179.550 176.870 0.142 0.000 1.073 274 L CA 2.052 56.965 54.840 0.123 0.000 0.748 274 L CB -1.041 41.077 42.059 0.099 0.000 0.891 274 L HN 0.506 nan 8.230 nan 0.000 0.431 275 Q N -1.054 118.830 119.800 0.139 0.000 2.096 275 Q HA -0.297 4.043 4.340 -0.000 0.000 0.204 275 Q C 2.139 178.231 176.000 0.154 0.000 0.982 275 Q CA 2.527 58.408 55.803 0.131 0.000 0.850 275 Q CB -0.710 28.099 28.738 0.120 0.000 0.901 275 Q HN 0.721 nan 8.270 nan 0.000 0.422 276 W N 0.737 122.034 121.300 -0.004 0.000 2.354 276 W HA -0.224 4.436 4.660 -0.000 0.000 0.315 276 W C 2.118 178.631 176.519 -0.009 0.000 1.206 276 W CA 2.376 59.705 57.345 -0.026 0.000 1.290 276 W CB -0.602 28.815 29.460 -0.072 0.000 1.152 276 W HN -0.018 nan 8.180 nan 0.000 0.489 277 V N 1.367 121.314 119.914 0.054 0.000 2.252 277 V HA -0.440 3.680 4.120 -0.000 0.000 0.249 277 V C 2.538 178.566 176.094 -0.110 0.000 1.056 277 V CA 3.165 65.358 62.300 -0.179 0.000 1.022 277 V CB -2.286 29.527 31.823 -0.017 0.000 0.641 277 V HN 0.487 nan 8.190 nan 0.000 0.445 278 T N -1.625 112.946 114.554 0.027 0.000 2.699 278 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 278 T C 1.771 176.491 174.700 0.033 0.000 1.036 278 T CA 2.023 64.189 62.100 0.109 0.000 1.147 278 T CB -0.755 68.183 68.868 0.117 0.000 0.862 278 T HN 0.420 nan 8.240 nan 0.000 0.446 279 S N 0.819 116.474 115.700 -0.075 0.000 2.595 279 S HA 0.105 4.575 4.470 -0.000 0.000 0.235 279 S C 1.848 176.314 174.600 -0.223 0.000 0.974 279 S CA 0.069 58.192 58.200 -0.129 0.000 0.942 279 S CB -0.226 62.899 63.200 -0.124 0.000 0.766 279 S HN 0.378 nan 8.310 nan 0.000 0.536 280 R N 1.017 121.370 120.500 -0.245 0.000 2.254 280 R HA 0.207 4.547 4.340 -0.000 0.000 0.195 280 R C 0.883 177.131 176.300 -0.087 0.000 0.957 280 R CA 0.079 56.044 56.100 -0.224 0.000 1.024 280 R CB -0.472 29.623 30.300 -0.342 0.000 0.952 280 R HN 0.485 nan 8.270 nan 0.000 0.484 281 Q N 1.109 120.801 119.800 -0.181 0.000 2.297 281 Q HA 0.109 4.449 4.340 -0.000 0.000 0.267 281 Q C -0.488 175.311 176.000 -0.334 0.000 1.006 281 Q CA -0.088 55.312 55.803 -0.671 0.000 0.896 281 Q CB 0.648 28.959 28.738 -0.712 0.000 1.186 281 Q HN -0.131 nan 8.270 nan 0.000 0.392 282 M N 4.790 124.193 119.600 -0.328 0.000 2.194 282 M HA 0.069 4.549 4.480 -0.000 0.000 0.347 282 M C 1.092 177.357 176.300 -0.058 0.000 1.439 282 M CA 0.517 55.727 55.300 -0.151 0.000 1.131 282 M CB 0.314 32.831 32.600 -0.139 0.000 1.733 282 M HN 0.720 nan 8.290 nan 0.000 0.467 283 R N 1.909 122.414 120.500 0.009 0.000 2.096 283 R HA -0.208 4.132 4.340 -0.000 0.000 0.240 283 R C 1.638 178.027 176.300 0.148 0.000 1.139 283 R CA 1.591 57.735 56.100 0.074 0.000 0.952 283 R CB -0.697 29.631 30.300 0.047 0.000 0.854 283 R HN 0.501 nan 8.270 nan 0.000 0.436 284 F N 2.175 122.112 119.950 -0.023 0.000 2.025 284 F HA -0.014 4.513 4.527 0.000 0.000 0.291 284 F C 2.057 178.089 175.800 0.386 0.000 1.150 284 F CA 1.566 59.593 58.000 0.045 0.000 1.166 284 F CB -0.514 38.507 39.000 0.035 0.000 0.995 284 F HN -0.069 nan 8.300 nan 0.000 0.474 285 E N 0.106 120.387 120.200 0.134 0.000 2.147 285 E HA -0.068 4.282 4.350 -0.000 0.000 0.199 285 E C 1.825 178.496 176.600 0.118 0.000 1.005 285 E CA 1.663 58.098 56.400 0.058 0.000 0.810 285 E CB -0.778 28.883 29.700 -0.065 0.000 0.736 285 E HN 0.711 nan 8.360 nan 0.000 0.460 286 G N -0.576 108.221 108.800 -0.004 0.000 2.217 286 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.246 286 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.246 286 G C 0.538 175.294 174.900 -0.241 0.000 0.990 286 G CA 0.114 45.172 45.100 -0.070 0.000 0.627 286 G HN 0.652 nan 8.290 nan 0.000 0.522 287 G N -0.884 107.640 108.800 -0.461 0.000 2.583 287 G HA2 0.674 4.634 3.960 -0.000 0.000 0.280 287 G HA3 0.674 4.634 3.960 -0.000 0.000 0.280 287 G C -0.678 173.888 174.900 -0.558 0.000 1.376 287 G CA -1.005 43.764 45.100 -0.552 0.000 1.043 287 G HN 0.314 nan 8.290 nan 0.000 0.538 288 F N -0.194 119.666 119.950 -0.150 0.000 2.508 288 F HA 0.397 4.924 4.527 0.000 0.000 0.325 288 F C 0.638 176.363 175.800 -0.126 0.000 1.090 288 F CA -0.722 57.212 58.000 -0.109 0.000 0.945 288 F CB 2.254 41.225 39.000 -0.049 0.000 1.156 288 F HN 0.524 nan 8.300 nan 0.000 0.463 289 Q N 0.882 120.640 119.800 -0.069 0.000 2.193 289 Q HA 0.616 4.956 4.340 -0.000 0.000 0.246 289 Q C 0.402 175.984 176.000 -0.697 0.000 0.959 289 Q CA -0.567 55.067 55.803 -0.282 0.000 0.904 289 Q CB 1.655 30.262 28.738 -0.217 0.000 1.238 289 Q HN 0.838 nan 8.270 nan 0.000 0.469 290 G N 0.584 108.700 108.800 -1.140 0.000 2.796 290 G HA2 0.155 4.115 3.960 -0.000 0.000 0.210 290 G HA3 0.155 4.115 3.960 -0.000 0.000 0.210 290 G C 0.234 174.680 174.900 -0.758 0.000 1.146 290 G CA -0.160 44.009 45.100 -1.552 0.000 0.779 290 G HN 0.425 nan 8.290 nan 0.000 0.535 291 R N -1.490 118.789 120.500 -0.368 0.000 2.739 291 R HA 0.365 4.705 4.340 -0.000 0.000 0.271 291 R C -1.125 175.122 176.300 -0.087 0.000 1.010 291 R CA -0.789 55.263 56.100 -0.080 0.000 0.897 291 R CB 1.449 31.791 30.300 0.069 0.000 1.236 291 R HN 0.100 nan 8.270 nan 0.000 0.466 292 C N 1.982 121.279 119.300 -0.006 0.000 2.662 292 C HA 0.115 4.575 4.460 -0.000 0.000 0.420 292 C C 0.845 175.840 174.990 0.009 0.000 1.314 292 C CA 0.329 59.336 59.018 -0.019 0.000 1.963 292 C CB -0.711 27.057 27.740 0.047 0.000 2.686 292 C HN 0.960 nan 8.230 nan 0.000 0.609 293 N N 1.488 120.186 118.700 -0.004 0.000 2.741 293 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 293 N C -0.729 174.789 175.510 0.013 0.000 1.112 293 N CA 1.497 54.555 53.050 0.014 0.000 0.750 293 N CB -0.967 37.544 38.487 0.040 0.000 1.119 293 N HN 0.869 nan 8.380 nan 0.000 0.561 294 K N 0.249 120.644 120.400 -0.008 0.000 2.281 294 K HA 0.590 4.910 4.320 -0.000 0.000 0.242 294 K C 0.299 176.891 176.600 -0.013 0.000 0.971 294 K CA -0.664 55.623 56.287 0.001 0.000 0.834 294 K CB 1.052 33.550 32.500 -0.003 0.000 1.181 294 K HN 0.059 nan 8.250 nan 0.000 0.435 295 L N 1.634 122.869 121.223 0.020 0.000 2.479 295 L HA 0.175 4.515 4.340 -0.000 0.000 0.270 295 L C 0.614 177.496 176.870 0.021 0.000 1.236 295 L CA -0.603 54.255 54.840 0.031 0.000 0.823 295 L CB 0.330 42.428 42.059 0.066 0.000 1.098 295 L HN 0.368 nan 8.230 nan 0.000 0.500 296 V N 0.753 120.678 119.914 0.019 0.000 2.881 296 V HA 0.222 4.342 4.120 -0.000 0.000 0.303 296 V C -0.475 175.704 176.094 0.142 0.000 1.070 296 V CA 0.083 62.376 62.300 -0.012 0.000 1.074 296 V CB 1.503 33.227 31.823 -0.166 0.000 1.012 296 V HN 0.852 nan 8.190 nan 0.000 0.482 297 D N 2.842 123.392 120.400 0.250 0.000 2.966 297 D HA 0.370 5.010 4.640 -0.000 0.000 0.222 297 D C 0.756 177.316 176.300 0.433 0.000 1.292 297 D CA 0.224 54.483 54.000 0.431 0.000 0.907 297 D CB 1.895 43.073 40.800 0.631 0.000 1.621 297 D HN 0.653 nan 8.370 nan 0.000 0.557 298 G N 1.836 110.897 108.800 0.435 0.000 2.503 298 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.221 298 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.221 298 G C 1.755 176.796 174.900 0.235 0.000 1.131 298 G CA 1.553 46.883 45.100 0.384 0.000 0.756 298 G HN 0.729 nan 8.290 nan 0.000 0.572 299 C N -1.226 118.173 119.300 0.165 0.000 2.425 299 C HA 0.021 4.481 4.460 -0.000 0.000 0.277 299 C C 2.398 177.248 174.990 -0.233 0.000 1.280 299 C CA 0.383 59.300 59.018 -0.169 0.000 1.744 299 C CB -1.643 25.906 27.740 -0.318 0.000 1.989 299 C HN 0.405 nan 8.230 nan 0.000 0.491 300 Y N 2.685 123.106 120.300 0.202 0.000 2.483 300 Y HA -0.086 4.464 4.550 -0.000 0.000 0.291 300 Y C 2.799 178.715 175.900 0.026 0.000 1.143 300 Y CA 1.353 59.562 58.100 0.182 0.000 1.289 300 Y CB -0.893 37.679 38.460 0.187 0.000 0.983 300 Y HN 0.360 nan 8.280 nan 0.000 0.556 301 S N -0.280 115.541 115.700 0.201 0.000 2.402 301 S HA -0.216 4.254 4.470 -0.000 0.000 0.233 301 S C 1.703 176.310 174.600 0.011 0.000 1.030 301 S CA 1.608 59.930 58.200 0.203 0.000 1.003 301 S CB -0.485 62.858 63.200 0.239 0.000 0.813 301 S HN 0.572 nan 8.310 nan 0.000 0.477 302 F N 0.345 120.145 119.950 -0.250 0.000 2.208 302 F HA 0.177 4.704 4.527 -0.000 0.000 0.282 302 F C 1.750 177.322 175.800 -0.380 0.000 1.071 302 F CA 0.097 57.880 58.000 -0.361 0.000 1.228 302 F CB -0.893 37.801 39.000 -0.509 0.000 1.088 302 F HN 0.148 nan 8.300 nan 0.000 0.512 303 W N 1.309 122.431 121.300 -0.296 0.000 2.284 303 W HA -0.335 4.325 4.660 -0.000 0.000 0.337 303 W C 2.617 178.901 176.519 -0.391 0.000 1.322 303 W CA 1.261 58.359 57.345 -0.412 0.000 1.245 303 W CB -0.926 28.463 29.460 -0.118 0.000 1.141 303 W HN 0.101 nan 8.180 nan 0.000 0.465 304 Q N -0.154 119.582 119.800 -0.107 0.000 1.990 304 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 304 Q C 2.376 177.851 176.000 -0.875 0.000 0.980 304 Q CA 1.845 57.357 55.803 -0.485 0.000 0.832 304 Q CB -1.409 26.921 28.738 -0.679 0.000 0.897 304 Q HN 0.385 nan 8.270 nan 0.000 0.427 305 A N 0.808 122.928 122.820 -1.167 0.000 2.121 305 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 305 A C 2.188 179.254 177.584 -0.863 0.000 1.154 305 A CA 1.395 52.673 52.037 -1.264 0.000 0.679 305 A CB -0.763 17.614 19.000 -1.038 0.000 0.795 305 A HN 0.449 nan 8.150 nan 0.000 0.458 306 G N -0.310 108.068 108.800 -0.704 0.000 2.448 306 G HA2 -0.057 3.902 3.960 -0.000 0.000 0.218 306 G HA3 -0.057 3.902 3.960 -0.000 0.000 0.218 306 G C 1.444 176.143 174.900 -0.336 0.000 1.135 306 G CA 0.778 45.514 45.100 -0.607 0.000 0.784 306 G HN 0.447 nan 8.290 nan 0.000 0.543 307 L N -0.158 120.890 121.223 -0.293 0.000 2.017 307 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 307 L C 2.863 179.587 176.870 -0.243 0.000 1.073 307 L CA 0.690 55.408 54.840 -0.203 0.000 0.745 307 L CB -0.443 41.534 42.059 -0.136 0.000 0.894 307 L HN 0.175 nan 8.230 nan 0.000 0.432 308 L N -0.499 120.526 121.223 -0.330 0.000 2.051 308 L HA -0.230 4.110 4.340 -0.000 0.000 0.214 308 L C -0.290 176.408 176.870 -0.287 0.000 1.076 308 L CA 1.803 56.517 54.840 -0.210 0.000 0.758 308 L CB -1.746 40.223 42.059 -0.149 0.000 0.890 308 L HN 0.219 nan 8.230 nan 0.000 0.433 309 P HA -0.127 nan 4.420 nan 0.000 0.219 309 P C 1.829 178.969 177.300 -0.266 0.000 1.150 309 P CA 1.154 63.712 63.100 -0.903 0.000 0.814 309 P CB 0.131 31.183 31.700 -1.081 0.000 0.787 310 L N -1.484 119.616 121.223 -0.204 0.000 2.023 310 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 310 L C 2.385 179.244 176.870 -0.018 0.000 1.073 310 L CA 1.288 56.066 54.840 -0.103 0.000 0.745 310 L CB -1.115 40.847 42.059 -0.160 0.000 0.900 310 L HN -0.073 nan 8.230 nan 0.000 0.435 311 L N -0.765 120.451 121.223 -0.012 0.000 2.129 311 L HA -0.297 4.043 4.340 -0.000 0.000 0.212 311 L C 2.605 179.539 176.870 0.107 0.000 1.087 311 L CA 1.314 56.178 54.840 0.039 0.000 0.757 311 L CB -0.637 41.451 42.059 0.048 0.000 0.896 311 L HN 0.353 nan 8.230 nan 0.000 0.434 312 H N 0.032 119.154 119.070 0.088 0.000 2.326 312 H HA -0.109 4.447 4.556 -0.000 0.000 0.301 312 H C 2.477 177.900 175.328 0.158 0.000 1.081 312 H CA 1.661 57.819 56.048 0.184 0.000 1.334 312 H CB 0.197 30.157 29.762 0.329 0.000 1.385 312 H HN 0.099 nan 8.280 nan 0.000 0.504 313 R N 0.026 120.668 120.500 0.236 0.000 2.080 313 R HA -0.145 4.195 4.340 -0.000 0.000 0.236 313 R C 2.584 178.968 176.300 0.140 0.000 1.137 313 R CA 1.124 57.335 56.100 0.185 0.000 0.943 313 R CB -0.489 29.876 30.300 0.108 0.000 0.846 313 R HN 0.376 nan 8.270 nan 0.000 0.431 314 A N 1.661 124.529 122.820 0.080 0.000 1.841 314 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 314 A C 2.264 179.873 177.584 0.041 0.000 1.199 314 A CA 1.448 53.512 52.037 0.045 0.000 0.621 314 A CB -0.909 18.102 19.000 0.018 0.000 0.835 314 A HN 0.198 nan 8.150 nan 0.000 0.445 315 L N -1.238 120.005 121.223 0.033 0.000 2.043 315 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 315 L C 2.750 179.634 176.870 0.023 0.000 1.075 315 L CA 2.013 56.862 54.840 0.015 0.000 0.752 315 L CB -1.034 41.025 42.059 -0.001 0.000 0.891 315 L HN 0.673 nan 8.230 nan 0.000 0.432 316 H N 0.338 119.363 119.070 -0.074 0.000 2.353 316 H HA -0.166 4.390 4.556 -0.000 0.000 0.300 316 H C 2.139 177.467 175.328 -0.001 0.000 1.090 316 H CA 1.447 57.466 56.048 -0.048 0.000 1.327 316 H CB 0.386 30.137 29.762 -0.018 0.000 1.383 316 H HN 0.352 nan 8.280 nan 0.000 0.508 317 A N 0.837 123.646 122.820 -0.018 0.000 1.972 317 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 317 A C 2.011 179.546 177.584 -0.082 0.000 1.169 317 A CA 1.227 53.224 52.037 -0.066 0.000 0.635 317 A CB -0.329 18.680 19.000 0.014 0.000 0.810 317 A HN 0.591 nan 8.150 nan 0.000 0.446 318 Q N -0.865 118.904 119.800 -0.052 0.000 2.239 318 Q HA 0.305 4.645 4.340 -0.000 0.000 0.219 318 Q C 0.952 176.919 176.000 -0.055 0.000 0.901 318 Q CA 0.168 55.947 55.803 -0.040 0.000 0.949 318 Q CB -0.221 28.507 28.738 -0.016 0.000 1.038 318 Q HN 0.766 nan 8.270 nan 0.000 0.458 319 G N 1.836 110.570 108.800 -0.109 0.000 2.212 319 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.267 319 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.267 319 G C -0.075 174.796 174.900 -0.049 0.000 1.002 319 G CA 0.469 45.505 45.100 -0.107 0.000 0.729 319 G HN 0.516 nan 8.290 nan 0.000 0.517 320 D N 0.741 121.125 120.400 -0.027 0.000 2.479 320 D HA 0.088 4.728 4.640 -0.000 0.000 0.257 320 D C 0.342 176.661 176.300 0.031 0.000 1.230 320 D CA -0.611 53.392 54.000 0.006 0.000 0.912 320 D CB 0.988 41.793 40.800 0.008 0.000 1.130 320 D HN 0.307 nan 8.370 nan 0.000 0.515 321 P HA -0.012 nan 4.420 nan 0.000 0.224 321 P C 0.766 178.097 177.300 0.053 0.000 1.157 321 P CA 0.314 63.441 63.100 0.044 0.000 0.799 321 P CB 0.218 31.935 31.700 0.029 0.000 0.809 322 A N -0.115 122.732 122.820 0.045 0.000 2.252 322 A HA 0.126 4.446 4.320 -0.000 0.000 0.207 322 A C 1.196 178.819 177.584 0.065 0.000 1.194 322 A CA -0.053 52.013 52.037 0.048 0.000 0.809 322 A CB -1.143 17.881 19.000 0.040 0.000 0.814 322 A HN 0.164 nan 8.150 nan 0.000 0.482 323 L N 0.384 121.653 121.223 0.078 0.000 2.439 323 L HA 0.146 4.486 4.340 -0.000 0.000 0.269 323 L C 1.083 178.053 176.870 0.167 0.000 1.179 323 L CA -0.294 54.614 54.840 0.114 0.000 0.828 323 L CB 1.123 43.200 42.059 0.030 0.000 1.106 323 L HN 0.287 nan 8.230 nan 0.000 0.467 324 S N 2.255 118.088 115.700 0.222 0.000 2.576 324 S HA 0.248 4.718 4.470 -0.000 0.000 0.276 324 S C 0.605 175.301 174.600 0.159 0.000 1.339 324 S CA -0.399 57.870 58.200 0.116 0.000 1.039 324 S CB 0.645 63.869 63.200 0.039 0.000 0.902 324 S HN 0.608 nan 8.310 nan 0.000 0.516 325 M N 3.284 122.871 119.600 -0.021 0.000 2.404 325 M HA 0.151 4.631 4.480 -0.000 0.000 0.271 325 M C 0.870 176.960 176.300 -0.350 0.000 1.128 325 M CA -0.143 55.173 55.300 0.027 0.000 0.982 325 M CB 0.412 33.036 32.600 0.040 0.000 1.445 325 M HN 0.799 nan 8.290 nan 0.000 0.495 326 S N -2.667 112.409 115.700 -1.039 0.000 2.560 326 S HA 0.217 4.687 4.470 -0.000 0.000 0.281 326 S C 0.062 173.373 174.600 -2.149 0.000 1.075 326 S CA -0.468 56.846 58.200 -1.476 0.000 1.295 326 S CB 0.349 62.948 63.200 -1.001 0.000 1.156 326 S HN 0.417 nan 8.310 nan 0.000 0.627 327 H N -0.716 117.403 119.070 -1.585 0.000 2.821 327 H HA 0.597 5.153 4.556 0.000 0.000 0.373 327 H C -1.341 173.765 175.328 -0.371 0.000 1.165 327 H CA -0.678 54.828 56.048 -0.904 0.000 1.154 327 H CB 0.840 30.339 29.762 -0.439 0.000 1.765 327 H HN 0.320 nan 8.280 nan 0.000 0.549 328 W N 2.288 123.734 121.300 0.243 0.000 2.215 328 W HA 0.203 4.863 4.660 -0.000 0.000 0.342 328 W C 0.675 177.409 176.519 0.359 0.000 1.237 328 W CA -0.695 56.908 57.345 0.429 0.000 1.283 328 W CB 0.638 30.490 29.460 0.653 0.000 1.131 328 W HN 0.420 nan 8.180 nan 0.000 0.606 329 M N 3.417 123.431 119.600 0.690 0.000 2.915 329 M HA 0.087 4.567 4.480 -0.000 0.000 0.206 329 M C -0.955 175.640 176.300 0.492 0.000 1.271 329 M CA 0.430 55.999 55.300 0.449 0.000 1.122 329 M CB -1.095 31.711 32.600 0.344 0.000 1.655 329 M HN 0.273 nan 8.290 nan 0.000 0.434 330 F N -4.032 116.071 119.950 0.255 0.000 2.626 330 F HA 0.401 4.928 4.527 -0.000 0.000 0.311 330 F C -0.202 175.707 175.800 0.182 0.000 1.088 330 F CA -1.636 56.512 58.000 0.246 0.000 0.949 330 F CB 0.588 39.833 39.000 0.408 0.000 1.322 330 F HN -0.096 nan 8.300 nan 0.000 0.461 331 H N 2.929 121.981 119.070 -0.030 0.000 3.629 331 H HA 0.115 4.671 4.556 -0.000 0.000 0.245 331 H C 0.964 176.049 175.328 -0.406 0.000 1.599 331 H CA 0.877 56.760 56.048 -0.275 0.000 1.557 331 H CB 0.245 29.811 29.762 -0.327 0.000 1.823 331 H HN 0.848 nan 8.280 nan 0.000 0.614 332 Q N 1.556 121.033 119.800 -0.538 0.000 2.118 332 Q HA -0.286 4.054 4.340 -0.000 0.000 0.211 332 Q C 2.196 178.140 176.000 -0.094 0.000 0.998 332 Q CA 2.115 57.633 55.803 -0.475 0.000 0.872 332 Q CB 0.044 28.577 28.738 -0.341 0.000 0.925 332 Q HN 0.683 nan 8.270 nan 0.000 0.414 333 Q N -0.039 119.759 119.800 -0.003 0.000 2.045 333 Q HA -0.239 4.101 4.340 -0.000 0.000 0.206 333 Q C 2.056 178.023 176.000 -0.055 0.000 0.991 333 Q CA 1.622 57.434 55.803 0.016 0.000 0.851 333 Q CB -0.225 28.552 28.738 0.066 0.000 0.911 333 Q HN 0.428 nan 8.270 nan 0.000 0.418 334 A N 0.704 123.408 122.820 -0.192 0.000 1.978 334 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 334 A C 1.979 179.522 177.584 -0.069 0.000 1.170 334 A CA 1.420 53.247 52.037 -0.350 0.000 0.636 334 A CB -0.665 17.864 19.000 -0.785 0.000 0.810 334 A HN 0.502 nan 8.150 nan 0.000 0.448 335 L N -0.295 120.952 121.223 0.041 0.000 2.044 335 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 335 L C 2.484 179.470 176.870 0.193 0.000 1.075 335 L CA 2.225 57.178 54.840 0.188 0.000 0.747 335 L CB -0.693 41.618 42.059 0.419 0.000 0.903 335 L HN 0.489 nan 8.230 nan 0.000 0.435 336 Q N -0.422 119.453 119.800 0.126 0.000 2.096 336 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 336 Q C 2.071 178.098 176.000 0.046 0.000 0.982 336 Q CA 2.124 57.979 55.803 0.086 0.000 0.850 336 Q CB -0.266 28.496 28.738 0.040 0.000 0.901 336 Q HN 0.661 nan 8.270 nan 0.000 0.422 337 E N -0.059 120.150 120.200 0.015 0.000 2.051 337 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 337 E C 1.791 178.403 176.600 0.021 0.000 0.991 337 E CA 1.182 57.559 56.400 -0.039 0.000 0.799 337 E CB -0.234 29.405 29.700 -0.103 0.000 0.748 337 E HN 0.362 nan 8.360 nan 0.000 0.449 338 Y N 1.704 122.007 120.300 0.005 0.000 2.097 338 Y HA -0.249 4.301 4.550 -0.000 0.000 0.282 338 Y C 2.015 177.923 175.900 0.014 0.000 1.152 338 Y CA 1.526 59.648 58.100 0.037 0.000 1.136 338 Y CB -0.258 38.228 38.460 0.044 0.000 0.975 338 Y HN -0.063 nan 8.280 nan 0.000 0.498 339 I N -0.052 120.583 120.570 0.108 0.000 2.052 339 I HA -0.408 3.762 4.170 -0.000 0.000 0.235 339 I C 2.460 178.526 176.117 -0.085 0.000 1.046 339 I CA 1.997 63.310 61.300 0.022 0.000 1.308 339 I CB -0.776 37.291 38.000 0.111 0.000 1.031 339 I HN 0.281 nan 8.210 nan 0.000 0.395 340 L N -0.474 120.720 121.223 -0.047 0.000 2.042 340 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 340 L C 2.633 179.431 176.870 -0.119 0.000 1.076 340 L CA 1.604 56.409 54.840 -0.059 0.000 0.749 340 L CB -0.388 41.641 42.059 -0.051 0.000 0.893 340 L HN 0.350 nan 8.230 nan 0.000 0.432 341 M N -1.771 117.704 119.600 -0.209 0.000 2.334 341 M HA -0.105 4.375 4.480 -0.000 0.000 0.266 341 M C 1.712 177.889 176.300 -0.205 0.000 1.082 341 M CA 1.070 56.197 55.300 -0.288 0.000 1.141 341 M CB 0.093 32.481 32.600 -0.353 0.000 1.380 341 M HN 0.405 nan 8.290 nan 0.000 0.440 342 C N -2.163 116.928 119.300 -0.349 0.000 3.336 342 C HA 0.231 4.691 4.460 -0.000 0.000 0.291 342 C C 1.600 176.343 174.990 -0.412 0.000 1.363 342 C CA -0.768 57.987 59.018 -0.439 0.000 1.737 342 C CB -0.885 26.409 27.740 -0.743 0.000 2.274 342 C HN 0.550 nan 8.230 nan 0.000 0.663 343 C N 0.949 120.048 119.300 -0.336 0.000 3.000 343 C HA 0.231 4.691 4.460 -0.000 0.000 0.286 343 C C 0.612 175.529 174.990 -0.121 0.000 1.343 343 C CA -0.121 58.767 59.018 -0.217 0.000 1.742 343 C CB -1.562 26.076 27.740 -0.169 0.000 2.200 343 C HN 0.611 nan 8.230 nan 0.000 0.621 344 Q N 0.469 120.224 119.800 -0.075 0.000 2.271 344 Q HA 0.404 4.744 4.340 -0.000 0.000 0.258 344 Q C -0.487 175.505 176.000 -0.013 0.000 0.936 344 Q CA -0.069 55.739 55.803 0.009 0.000 0.909 344 Q CB 1.911 30.700 28.738 0.085 0.000 1.253 344 Q HN 0.523 nan 8.270 nan 0.000 0.440 345 C N 4.086 123.382 119.300 -0.008 0.000 2.350 345 C HA 0.434 4.894 4.460 -0.000 0.000 0.348 345 C C -1.449 173.515 174.990 -0.045 0.000 1.260 345 C CA -1.983 56.997 59.018 -0.063 0.000 1.966 345 C CB 0.315 27.967 27.740 -0.146 0.000 2.380 345 C HN 0.736 nan 8.230 nan 0.000 0.535 346 P HA -0.055 nan 4.420 nan 0.000 0.216 346 P C 1.271 178.538 177.300 -0.055 0.000 1.150 346 P CA 2.139 65.208 63.100 -0.051 0.000 0.837 346 P CB 0.074 31.749 31.700 -0.042 0.000 0.786 347 A N -1.301 121.479 122.820 -0.067 0.000 2.206 347 A HA 0.437 4.757 4.320 -0.000 0.000 0.211 347 A C 1.092 178.631 177.584 -0.075 0.000 1.158 347 A CA 1.007 53.010 52.037 -0.058 0.000 0.761 347 A CB -0.990 17.970 19.000 -0.067 0.000 0.801 347 A HN 0.343 nan 8.150 nan 0.000 0.473 348 G N -3.273 105.467 108.800 -0.100 0.000 2.459 348 G HA2 0.526 4.486 3.960 -0.000 0.000 0.685 348 G HA3 0.526 4.486 3.960 -0.000 0.000 0.685 348 G C 0.443 175.188 174.900 -0.258 0.000 1.303 348 G CA -0.158 44.922 45.100 -0.033 0.000 0.907 348 G HN 2.385 nan 8.290 nan 0.000 0.632 349 G N -1.613 107.155 108.800 -0.053 0.000 2.795 349 G HA2 0.330 4.290 3.960 -0.000 0.000 0.664 349 G HA3 0.330 4.290 3.960 -0.000 0.000 0.664 349 G C -0.523 174.167 174.900 -0.350 0.000 1.381 349 G CA 0.301 45.158 45.100 -0.405 0.000 0.853 349 G HN 1.718 nan 8.290 nan 0.000 0.545 350 L N -0.518 120.515 121.223 -0.317 0.000 2.230 350 L HA 0.986 5.326 4.340 -0.000 0.000 0.255 350 L C 0.554 177.318 176.870 -0.178 0.000 1.039 350 L CA -0.739 53.962 54.840 -0.231 0.000 0.846 350 L CB 1.916 43.833 42.059 -0.237 0.000 1.419 350 L HN 1.152 nan 8.230 nan 0.000 0.435 351 L N -3.853 117.275 121.223 -0.158 0.000 2.461 351 L HA 0.717 5.057 4.340 -0.000 0.000 0.242 351 L C 0.086 176.792 176.870 -0.273 0.000 1.143 351 L CA -0.713 53.967 54.840 -0.267 0.000 0.984 351 L CB 0.480 42.383 42.059 -0.260 0.000 1.573 351 L HN 0.436 nan 8.230 nan 0.000 0.404 352 D N 0.211 120.306 120.400 -0.509 0.000 2.074 352 D HA 0.020 4.660 4.640 -0.000 0.000 0.221 352 D C -0.261 176.074 176.300 0.058 0.000 0.972 352 D CA 1.788 55.673 54.000 -0.192 0.000 0.901 352 D CB 0.264 40.948 40.800 -0.193 0.000 1.047 352 D HN 0.660 nan 8.370 nan 0.000 0.453 353 K N -1.647 118.766 120.400 0.022 0.000 2.502 353 K HA 0.394 4.714 4.320 -0.000 0.000 0.257 353 K C -2.518 174.066 176.600 -0.026 0.000 0.938 353 K CA -1.551 54.777 56.287 0.068 0.000 0.819 353 K CB 2.667 35.260 32.500 0.155 0.000 1.333 353 K HN -0.232 nan 8.250 nan 0.000 0.434 354 P HA -0.335 nan 4.420 nan 0.000 0.226 354 P C 0.957 178.223 177.300 -0.056 0.000 0.981 354 P CA 2.779 65.835 63.100 -0.074 0.000 1.055 354 P CB -0.201 31.458 31.700 -0.068 0.000 0.721 355 G N -1.664 107.116 108.800 -0.034 0.000 3.340 355 G HA2 0.034 3.994 3.960 -0.000 0.000 0.240 355 G HA3 0.034 3.994 3.960 -0.000 0.000 0.240 355 G C 0.216 175.095 174.900 -0.033 0.000 1.327 355 G CA 0.166 45.248 45.100 -0.029 0.000 1.170 355 G HN 0.235 nan 8.290 nan 0.000 0.520 356 K N -0.425 119.943 120.400 -0.055 0.000 2.306 356 K HA 0.639 4.959 4.320 -0.000 0.000 0.236 356 K C 0.065 176.611 176.600 -0.090 0.000 1.013 356 K CA -0.550 55.696 56.287 -0.068 0.000 0.857 356 K CB 1.437 33.881 32.500 -0.093 0.000 1.214 356 K HN -0.028 nan 8.250 nan 0.000 0.449 357 S N 0.750 116.399 115.700 -0.085 0.000 2.610 357 S HA 0.318 4.788 4.470 -0.000 0.000 0.273 357 S C -0.260 174.265 174.600 -0.125 0.000 1.274 357 S CA -0.769 57.379 58.200 -0.087 0.000 1.023 357 S CB 0.599 63.766 63.200 -0.055 0.000 0.962 357 S HN 0.534 nan 8.310 nan 0.000 0.523 358 R N 0.996 121.413 120.500 -0.139 0.000 2.528 358 R HA 0.510 4.850 4.340 -0.000 0.000 0.271 358 R C -1.342 174.907 176.300 -0.085 0.000 1.056 358 R CA -0.444 55.546 56.100 -0.183 0.000 1.117 358 R CB 0.263 30.375 30.300 -0.315 0.000 1.085 358 R HN 0.779 nan 8.270 nan 0.000 0.530 359 D N 0.199 120.582 120.400 -0.028 0.000 2.663 359 D HA 0.140 4.780 4.640 -0.000 0.000 0.233 359 D C -0.222 176.135 176.300 0.096 0.000 1.240 359 D CA -0.787 53.281 54.000 0.114 0.000 0.774 359 D CB 0.247 41.153 40.800 0.175 0.000 1.443 359 D HN 0.312 nan 8.370 nan 0.000 0.441 360 F N -0.039 120.125 119.950 0.356 0.000 2.154 360 F HA -0.120 4.407 4.527 0.000 0.000 0.301 360 F C 2.120 177.780 175.800 -0.233 0.000 1.087 360 F CA 1.198 59.295 58.000 0.161 0.000 1.274 360 F CB -0.793 38.369 39.000 0.271 0.000 1.009 360 F HN 0.562 nan 8.300 nan 0.000 0.485 361 Y N 0.789 120.754 120.300 -0.558 0.000 2.030 361 Y HA -0.358 4.192 4.550 -0.000 0.000 0.274 361 Y C 2.607 178.182 175.900 -0.542 0.000 1.153 361 Y CA 2.284 59.628 58.100 -1.260 0.000 1.115 361 Y CB -1.223 36.607 38.460 -1.049 0.000 0.969 361 Y HN 0.109 nan 8.280 nan 0.000 0.488 362 H N -0.926 117.830 119.070 -0.523 0.000 2.421 362 H HA -0.105 4.451 4.556 0.000 0.000 0.298 362 H C 2.190 177.293 175.328 -0.373 0.000 1.087 362 H CA 1.984 57.759 56.048 -0.454 0.000 1.330 362 H CB -0.468 29.209 29.762 -0.141 0.000 1.388 362 H HN 0.366 nan 8.280 nan 0.000 0.526 363 T N -0.721 113.733 114.554 -0.166 0.000 2.833 363 T HA -0.224 4.126 4.350 -0.000 0.000 0.269 363 T C 2.327 176.863 174.700 -0.273 0.000 1.054 363 T CA 1.281 63.277 62.100 -0.173 0.000 1.135 363 T CB -0.606 68.251 68.868 -0.018 0.000 0.869 363 T HN 0.565 nan 8.240 nan 0.000 0.466 364 C N 0.404 119.451 119.300 -0.421 0.000 2.476 364 C HA -0.016 4.444 4.460 -0.000 0.000 0.278 364 C C 2.319 176.801 174.990 -0.847 0.000 1.274 364 C CA 0.219 58.877 59.018 -0.599 0.000 1.713 364 C CB -1.335 25.995 27.740 -0.685 0.000 2.039 364 C HN 0.597 nan 8.230 nan 0.000 0.484 365 Y N 0.420 120.393 120.300 -0.545 0.000 2.220 365 Y HA -0.030 4.520 4.550 -0.000 0.000 0.291 365 Y C 2.888 178.584 175.900 -0.340 0.000 1.129 365 Y CA 1.606 59.340 58.100 -0.610 0.000 1.161 365 Y CB -1.187 36.703 38.460 -0.950 0.000 0.997 365 Y HN 0.372 nan 8.280 nan 0.000 0.522 366 C N -0.130 119.077 119.300 -0.155 0.000 2.432 366 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 366 C C 2.801 177.766 174.990 -0.042 0.000 1.249 366 C CA 0.831 59.826 59.018 -0.037 0.000 1.725 366 C CB -1.365 26.354 27.740 -0.035 0.000 2.028 366 C HN 0.509 nan 8.230 nan 0.000 0.477 367 L N 0.387 121.533 121.223 -0.129 0.000 1.994 367 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 367 L C 2.737 179.567 176.870 -0.067 0.000 1.071 367 L CA 1.663 56.437 54.840 -0.111 0.000 0.745 367 L CB -0.841 41.104 42.059 -0.190 0.000 0.892 367 L HN 0.308 nan 8.230 nan 0.000 0.431 368 S N -0.013 115.605 115.700 -0.136 0.000 2.365 368 S HA -0.205 4.265 4.470 -0.000 0.000 0.225 368 S C 1.955 176.679 174.600 0.207 0.000 1.039 368 S CA 1.441 59.635 58.200 -0.011 0.000 1.033 368 S CB -0.749 62.278 63.200 -0.289 0.000 0.887 368 S HN 0.651 nan 8.310 nan 0.000 0.447 369 G N 1.481 110.396 108.800 0.191 0.000 2.446 369 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 369 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 369 G C 1.391 176.431 174.900 0.233 0.000 1.168 369 G CA 1.073 46.305 45.100 0.221 0.000 0.771 369 G HN 0.429 nan 8.290 nan 0.000 0.551 370 L N 1.146 122.476 121.223 0.177 0.000 2.012 370 L HA -0.025 4.315 4.340 -0.000 0.000 0.210 370 L C 2.899 179.889 176.870 0.200 0.000 1.073 370 L CA 2.617 57.560 54.840 0.172 0.000 0.748 370 L CB -0.921 41.200 42.059 0.105 0.000 0.891 370 L HN 0.244 nan 8.230 nan 0.000 0.431 371 S N -0.803 115.021 115.700 0.207 0.000 2.383 371 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 371 S C 2.056 176.910 174.600 0.423 0.000 1.030 371 S CA 1.362 59.750 58.200 0.313 0.000 1.002 371 S CB -0.370 62.979 63.200 0.248 0.000 0.829 371 S HN 0.413 nan 8.310 nan 0.000 0.467 372 I N 2.097 122.883 120.570 0.360 0.000 2.099 372 I HA -0.129 4.041 4.170 -0.000 0.000 0.239 372 I C 2.871 179.329 176.117 0.569 0.000 1.066 372 I CA 1.597 63.127 61.300 0.384 0.000 1.324 372 I CB -1.889 36.235 38.000 0.207 0.000 1.037 372 I HN 0.407 nan 8.210 nan 0.000 0.401 373 A N -0.368 122.768 122.820 0.528 0.000 2.070 373 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 373 A C 2.190 179.928 177.584 0.256 0.000 1.159 373 A CA 1.200 53.542 52.037 0.509 0.000 0.656 373 A CB -0.500 18.738 19.000 0.398 0.000 0.800 373 A HN 0.562 nan 8.150 nan 0.000 0.453 374 Q N -1.229 118.669 119.800 0.162 0.000 2.269 374 Q HA 0.005 4.345 4.340 -0.000 0.000 0.201 374 Q C -0.374 175.433 176.000 -0.322 0.000 0.946 374 Q CA 0.626 56.342 55.803 -0.144 0.000 0.877 374 Q CB 0.159 28.722 28.738 -0.291 0.000 0.963 374 Q HN 0.875 nan 8.270 nan 0.000 0.472 375 H N -1.366 117.833 119.070 0.215 0.000 2.529 375 H HA 0.389 4.945 4.556 0.000 0.000 0.348 375 H C -1.592 173.907 175.328 0.285 0.000 1.079 375 H CA -0.716 55.436 56.048 0.174 0.000 1.198 375 H CB 1.242 31.100 29.762 0.160 0.000 1.521 375 H HN -0.002 nan 8.280 nan 0.000 0.514 376 F N 1.600 121.491 119.950 -0.099 0.000 2.546 376 F HA 0.768 5.295 4.527 0.000 0.000 0.320 376 F C -0.428 175.189 175.800 -0.304 0.000 1.076 376 F CA -0.409 57.199 58.000 -0.654 0.000 0.928 376 F CB 1.981 40.317 39.000 -1.106 0.000 1.189 376 F HN 0.678 nan 8.300 nan 0.000 0.465 377 G N 2.276 110.400 108.800 -1.126 0.000 2.728 377 G HA2 0.475 4.435 3.960 -0.000 0.000 0.294 377 G HA3 0.475 4.435 3.960 -0.000 0.000 0.294 377 G C -2.045 172.427 174.900 -0.713 0.000 1.398 377 G CA -0.703 44.034 45.100 -0.604 0.000 1.183 377 G HN 0.742 nan 8.290 nan 0.000 0.578 378 S N 0.981 116.374 115.700 -0.512 0.000 2.680 378 S HA 0.664 5.134 4.470 -0.000 0.000 0.262 378 S C 0.805 175.309 174.600 -0.159 0.000 1.138 378 S CA 1.003 59.005 58.200 -0.331 0.000 1.072 378 S CB 0.278 63.290 63.200 -0.312 0.000 1.097 378 S HN 2.578 nan 8.310 nan 0.000 0.468 379 G N 3.895 112.640 108.800 -0.090 0.000 2.536 379 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.277 379 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.277 379 G C 0.902 175.809 174.900 0.012 0.000 1.155 379 G CA 0.163 45.269 45.100 0.010 0.000 0.960 379 G HN 1.688 nan 8.290 nan 0.000 0.544 380 A N -0.574 122.264 122.820 0.031 0.000 2.267 380 A HA 0.604 4.924 4.320 -0.000 0.000 0.213 380 A C 1.246 178.851 177.584 0.035 0.000 1.192 380 A CA 0.971 53.028 52.037 0.032 0.000 0.851 380 A CB -0.072 18.952 19.000 0.041 0.000 0.881 380 A HN 0.541 nan 8.150 nan 0.000 0.494 381 M N 1.045 120.671 119.600 0.043 0.000 2.217 381 M HA 0.403 4.882 4.480 -0.000 0.000 0.352 381 M C -0.782 175.575 176.300 0.096 0.000 1.376 381 M CA 0.415 55.767 55.300 0.088 0.000 1.107 381 M CB -0.094 32.603 32.600 0.161 0.000 1.723 381 M HN 0.154 nan 8.290 nan 0.000 0.461 382 L N 3.118 124.409 121.223 0.112 0.000 2.401 382 L HA 0.527 4.867 4.340 -0.000 0.000 0.266 382 L C -0.926 176.039 176.870 0.158 0.000 0.991 382 L CA -0.684 54.226 54.840 0.118 0.000 0.818 382 L CB 2.299 44.396 42.059 0.064 0.000 1.321 382 L HN 0.752 nan 8.230 nan 0.000 0.413 383 H N 1.043 120.120 119.070 0.012 0.000 3.267 383 H HA 0.281 4.837 4.556 -0.000 0.000 0.319 383 H C -1.646 173.588 175.328 -0.157 0.000 1.191 383 H CA -0.528 55.447 56.048 -0.122 0.000 1.562 383 H CB 1.000 30.588 29.762 -0.290 0.000 2.076 383 H HN 0.480 nan 8.280 nan 0.000 0.429 384 D N 2.912 122.998 120.400 -0.524 0.000 2.354 384 D HA 0.412 5.052 4.640 -0.000 0.000 0.247 384 D C -0.252 175.681 176.300 -0.612 0.000 1.138 384 D CA -0.241 53.484 54.000 -0.459 0.000 0.958 384 D CB 2.004 42.625 40.800 -0.299 0.000 1.144 384 D HN 0.240 nan 8.370 nan 0.000 0.458 385 V N 1.377 121.067 119.914 -0.374 0.000 2.555 385 V HA 0.182 4.302 4.120 -0.000 0.000 0.283 385 V C -0.566 175.423 176.094 -0.174 0.000 1.020 385 V CA -0.732 61.420 62.300 -0.246 0.000 0.883 385 V CB 1.853 33.585 31.823 -0.153 0.000 1.030 385 V HN 0.249 nan 8.190 nan 0.000 0.448 386 V N 5.408 125.234 119.914 -0.146 0.000 2.326 386 V HA 0.466 4.586 4.120 -0.000 0.000 0.281 386 V C 0.153 176.207 176.094 -0.067 0.000 1.015 386 V CA -0.566 61.670 62.300 -0.105 0.000 0.823 386 V CB 1.543 33.302 31.823 -0.107 0.000 1.009 386 V HN 0.708 nan 8.190 nan 0.000 0.436 387 M N 3.433 123.003 119.600 -0.050 0.000 2.228 387 M HA 0.539 5.019 4.480 -0.000 0.000 0.351 387 M C 1.041 177.320 176.300 -0.036 0.000 1.233 387 M CA 0.981 56.255 55.300 -0.043 0.000 1.129 387 M CB 0.192 32.768 32.600 -0.040 0.000 1.604 387 M HN 0.989 nan 8.290 nan 0.000 0.457 388 G N 1.686 110.466 108.800 -0.034 0.000 2.542 388 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.235 388 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.235 388 G C -0.379 174.512 174.900 -0.015 0.000 1.286 388 G CA -0.379 44.709 45.100 -0.019 0.000 0.904 388 G HN 1.193 nan 8.290 nan 0.000 0.577 389 V N -1.297 118.614 119.914 -0.005 0.000 2.740 389 V HA 0.489 4.609 4.120 -0.000 0.000 0.303 389 V C -0.385 175.701 176.094 -0.014 0.000 1.054 389 V CA 0.034 62.331 62.300 -0.006 0.000 1.106 389 V CB 0.941 32.764 31.823 0.001 0.000 0.957 389 V HN 0.587 nan 8.190 nan 0.000 0.486 390 P HA -0.151 nan 4.420 nan 0.000 0.217 390 P C 1.181 178.471 177.300 -0.017 0.000 1.148 390 P CA 1.573 64.659 63.100 -0.023 0.000 0.834 390 P CB 0.133 31.821 31.700 -0.019 0.000 0.783 391 E N -1.313 118.880 120.200 -0.012 0.000 2.472 391 E HA -0.100 4.250 4.350 -0.000 0.000 0.200 391 E C 1.285 177.882 176.600 -0.004 0.000 1.046 391 E CA 0.501 56.896 56.400 -0.009 0.000 0.871 391 E CB -0.969 28.725 29.700 -0.011 0.000 0.806 391 E HN 0.290 nan 8.360 nan 0.000 0.533 392 N N 0.172 118.869 118.700 -0.005 0.000 2.515 392 N HA -0.044 4.696 4.740 -0.000 0.000 0.185 392 N C -0.178 175.337 175.510 0.009 0.000 1.109 392 N CA 0.265 53.317 53.050 0.003 0.000 0.903 392 N CB -0.067 38.419 38.487 -0.001 0.000 0.969 392 N HN 0.088 nan 8.380 nan 0.000 0.450 393 V N 0.577 120.494 119.914 0.005 0.000 2.458 393 V HA 0.097 4.217 4.120 -0.000 0.000 0.287 393 V C 0.729 176.877 176.094 0.090 0.000 1.009 393 V CA -0.272 62.048 62.300 0.032 0.000 1.091 393 V CB -0.435 31.417 31.823 0.047 0.000 0.960 393 V HN -0.026 nan 8.190 nan 0.000 0.476 394 L N 3.435 124.750 121.223 0.153 0.000 2.431 394 L HA 0.458 4.798 4.340 -0.000 0.000 0.260 394 L C 0.611 177.585 176.870 0.173 0.000 1.098 394 L CA -0.828 54.090 54.840 0.129 0.000 0.800 394 L CB 0.964 43.084 42.059 0.101 0.000 1.210 394 L HN 0.571 nan 8.230 nan 0.000 0.465 395 Q N 2.046 121.869 119.800 0.038 0.000 2.364 395 Q HA 0.207 4.547 4.340 -0.000 0.000 0.267 395 Q C -2.186 173.762 176.000 -0.087 0.000 0.999 395 Q CA -1.588 54.193 55.803 -0.037 0.000 0.886 395 Q CB 0.485 29.197 28.738 -0.043 0.000 1.243 395 Q HN 0.257 nan 8.270 nan 0.000 0.415 396 P HA 0.060 nan 4.420 nan 0.000 0.274 396 P C -0.431 176.876 177.300 0.013 0.000 1.237 396 P CA -0.147 62.787 63.100 -0.278 0.000 0.793 396 P CB 0.953 32.381 31.700 -0.453 0.000 0.977 397 T N 0.090 114.729 114.554 0.141 0.000 2.907 397 T HA 0.191 4.541 4.350 -0.000 0.000 0.292 397 T C -0.679 174.204 174.700 0.305 0.000 1.043 397 T CA -0.520 61.742 62.100 0.270 0.000 1.003 397 T CB 0.403 69.490 68.868 0.365 0.000 1.084 397 T HN 0.372 nan 8.240 nan 0.000 0.483 398 H N 5.526 124.764 119.070 0.281 0.000 2.899 398 H HA 0.200 4.756 4.556 -0.000 0.000 0.303 398 H C -1.493 174.045 175.328 0.350 0.000 1.042 398 H CA -1.569 54.657 56.048 0.296 0.000 1.479 398 H CB 1.747 31.724 29.762 0.359 0.000 1.493 398 H HN 0.441 nan 8.280 nan 0.000 0.534 399 P HA -0.141 nan 4.420 nan 0.000 0.223 399 P C 1.138 178.711 177.300 0.455 0.000 1.144 399 P CA 0.621 63.878 63.100 0.262 0.000 0.783 399 P CB 0.663 32.352 31.700 -0.018 0.000 0.771 400 V N -1.335 118.933 119.914 0.589 0.000 2.502 400 V HA -0.087 4.033 4.120 -0.000 0.000 0.234 400 V C 2.281 178.626 176.094 0.418 0.000 1.072 400 V CA 1.348 63.858 62.300 0.350 0.000 1.094 400 V CB -1.401 30.473 31.823 0.085 0.000 0.761 400 V HN -0.088 nan 8.190 nan 0.000 0.489 401 Y N 0.295 120.909 120.300 0.524 0.000 2.544 401 Y HA 0.185 4.735 4.550 0.000 0.000 0.286 401 Y C 1.402 177.567 175.900 0.443 0.000 1.141 401 Y CA 0.411 58.779 58.100 0.446 0.000 1.299 401 Y CB -0.339 38.205 38.460 0.140 0.000 1.030 401 Y HN 0.439 nan 8.280 nan 0.000 0.543 402 N N 0.890 119.946 118.700 0.593 0.000 2.738 402 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 402 N C -0.795 174.692 175.510 -0.038 0.000 1.047 402 N CA 1.018 54.257 53.050 0.315 0.000 0.707 402 N CB -1.453 37.088 38.487 0.090 0.000 0.937 402 N HN 0.657 nan 8.380 nan 0.000 0.545 403 I N -4.675 116.029 120.570 0.224 0.000 3.279 403 I HA 0.738 4.908 4.170 -0.000 0.000 0.315 403 I C 0.942 177.248 176.117 0.316 0.000 1.187 403 I CA -1.065 60.358 61.300 0.206 0.000 0.953 403 I CB 1.340 39.440 38.000 0.167 0.000 1.279 403 I HN -0.009 nan 8.210 nan 0.000 0.465 404 G N 1.741 110.694 108.800 0.254 0.000 2.340 404 G HA2 0.312 4.272 3.960 -0.000 0.000 0.245 404 G HA3 0.312 4.272 3.960 -0.000 0.000 0.245 404 G C -2.044 172.971 174.900 0.191 0.000 1.294 404 G CA -0.745 44.469 45.100 0.191 0.000 0.896 404 G HN 0.577 nan 8.290 nan 0.000 0.522 405 P HA -0.140 nan 4.420 nan 0.000 0.216 405 P C 1.631 179.029 177.300 0.164 0.000 1.150 405 P CA 1.504 64.760 63.100 0.259 0.000 0.843 405 P CB 0.233 32.050 31.700 0.196 0.000 0.787 406 D N -0.824 119.641 120.400 0.108 0.000 2.178 406 D HA -0.166 4.474 4.640 -0.000 0.000 0.202 406 D C 1.449 177.791 176.300 0.070 0.000 0.974 406 D CA 1.228 55.273 54.000 0.075 0.000 0.841 406 D CB -0.570 40.261 40.800 0.051 0.000 0.953 406 D HN 0.076 nan 8.370 nan 0.000 0.478 407 K N 0.855 121.302 120.400 0.078 0.000 2.025 407 K HA -0.002 4.318 4.320 -0.000 0.000 0.207 407 K C 2.509 179.136 176.600 0.044 0.000 1.049 407 K CA 0.430 56.760 56.287 0.070 0.000 0.933 407 K CB -0.814 31.732 32.500 0.076 0.000 0.714 407 K HN 0.168 nan 8.250 nan 0.000 0.438 408 V N 2.265 122.183 119.914 0.007 0.000 2.233 408 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 408 V C 2.443 178.505 176.094 -0.055 0.000 1.050 408 V CA 1.764 63.990 62.300 -0.124 0.000 1.010 408 V CB -0.522 31.172 31.823 -0.215 0.000 0.637 408 V HN 0.187 nan 8.190 nan 0.000 0.444 409 I N -0.398 120.184 120.570 0.020 0.000 2.248 409 I HA -0.371 3.799 4.170 -0.000 0.000 0.248 409 I C 2.687 178.812 176.117 0.013 0.000 1.107 409 I CA 2.031 63.351 61.300 0.032 0.000 1.373 409 I CB -0.405 37.632 38.000 0.061 0.000 1.055 409 I HN 0.435 nan 8.210 nan 0.000 0.418 410 Q N 0.620 120.435 119.800 0.026 0.000 2.046 410 Q HA -0.205 4.135 4.340 -0.000 0.000 0.200 410 Q C 2.367 178.338 176.000 -0.050 0.000 0.975 410 Q CA 1.909 57.728 55.803 0.026 0.000 0.836 410 Q CB -0.078 28.711 28.738 0.084 0.000 0.896 410 Q HN 0.563 nan 8.270 nan 0.000 0.428 411 A N 0.275 123.071 122.820 -0.040 0.000 1.855 411 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 411 A C 2.290 179.804 177.584 -0.117 0.000 1.191 411 A CA 2.154 54.066 52.037 -0.209 0.000 0.613 411 A CB -1.350 17.717 19.000 0.111 0.000 0.829 411 A HN 0.652 nan 8.150 nan 0.000 0.442 412 T N -2.763 111.789 114.554 -0.004 0.000 2.720 412 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 412 T C 1.809 176.510 174.700 0.002 0.000 1.037 412 T CA 2.234 64.361 62.100 0.045 0.000 1.144 412 T CB -1.244 67.626 68.868 0.004 0.000 0.864 412 T HN 0.323 nan 8.240 nan 0.000 0.444 413 T N 0.924 115.455 114.554 -0.039 0.000 2.720 413 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 413 T C 1.745 176.381 174.700 -0.107 0.000 1.037 413 T CA 1.881 63.952 62.100 -0.049 0.000 1.144 413 T CB -0.592 68.257 68.868 -0.031 0.000 0.864 413 T HN 0.809 nan 8.240 nan 0.000 0.444 414 H N 0.111 118.976 119.070 -0.343 0.000 2.389 414 H HA 0.020 4.576 4.556 0.000 0.000 0.299 414 H C 1.563 176.595 175.328 -0.494 0.000 1.081 414 H CA 1.446 57.177 56.048 -0.528 0.000 1.345 414 H CB -0.376 28.780 29.762 -1.011 0.000 1.393 414 H HN 0.340 nan 8.280 nan 0.000 0.520 415 F N -0.146 119.603 119.950 -0.336 0.000 2.615 415 F HA 0.109 4.636 4.527 -0.000 0.000 0.297 415 F C 1.852 177.538 175.800 -0.191 0.000 1.124 415 F CA 0.330 58.152 58.000 -0.297 0.000 1.451 415 F CB -0.079 38.829 39.000 -0.152 0.000 1.103 415 F HN 0.156 nan 8.300 nan 0.000 0.569 416 L N -0.227 120.996 121.223 0.001 0.000 2.552 416 L HA -0.080 4.260 4.340 -0.000 0.000 0.227 416 L C 2.080 178.926 176.870 -0.039 0.000 1.146 416 L CA 0.322 55.162 54.840 -0.001 0.000 0.858 416 L CB -0.366 41.696 42.059 0.005 0.000 0.969 416 L HN 0.124 nan 8.230 nan 0.000 0.451 417 Q N 0.612 120.350 119.800 -0.104 0.000 2.172 417 Q HA -0.023 4.317 4.340 -0.000 0.000 0.200 417 Q C 0.468 176.422 176.000 -0.077 0.000 0.964 417 Q CA 0.951 56.691 55.803 -0.106 0.000 0.855 417 Q CB 0.009 28.639 28.738 -0.180 0.000 0.918 417 Q HN 0.429 nan 8.270 nan 0.000 0.444 418 K N 1.912 122.268 120.400 -0.075 0.000 2.118 418 K HA 0.288 4.608 4.320 -0.000 0.000 0.267 418 K C -2.349 174.252 176.600 0.002 0.000 0.991 418 K CA -1.808 54.462 56.287 -0.028 0.000 0.916 418 K CB 0.722 33.218 32.500 -0.006 0.000 1.041 418 K HN -0.057 nan 8.250 nan 0.000 0.455 419 P HA 0.043 nan 4.420 nan 0.000 0.278 419 P C -0.399 176.912 177.300 0.019 0.000 1.238 419 P CA -0.455 62.652 63.100 0.012 0.000 0.794 419 P CB 0.799 32.504 31.700 0.009 0.000 0.955 420 V N 4.979 124.907 119.914 0.022 0.000 2.599 420 V HA 0.029 4.149 4.120 -0.000 0.000 0.300 420 V C -1.607 174.503 176.094 0.027 0.000 1.034 420 V CA -0.682 61.633 62.300 0.026 0.000 1.115 420 V CB -0.588 31.256 31.823 0.035 0.000 0.934 420 V HN 0.621 nan 8.190 nan 0.000 0.485 421 P HA 0.374 nan 4.420 nan 0.000 0.269 421 P C 0.129 177.450 177.300 0.034 0.000 1.217 421 P CA 0.272 63.390 63.100 0.029 0.000 0.783 421 P CB 0.561 32.281 31.700 0.033 0.000 0.898 422 G N 0.000 108.811 108.800 0.018 0.000 5.446 422 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 422 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 422 G CA 0.000 45.104 45.100 0.006 0.000 0.502 422 G HN 0.000 nan 8.290 nan 0.000 0.925