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 2vvl_1_B DATA FIRST_RESID 1 DATA SEQUENCE MTSRDGYQWT PETGLTQGVP SLGVISPPTN IXXXXXXXXW DVIVIGGGYC DATA SEQUENCE GLTATRDLTV AGFKTLLLEA RDRIGGRSWS SNIDGYPYEM GGTWVHWHQS DATA SEQUENCE HVWREITRYK MHNALSPSFN FSRGVNHFQL RTNPTTSTYM THEAEDELLR DATA SEQUENCE SALHKFTNVD GTNGRTVLPF PHDMFYVPEF RKYDEMSYSE RIDQIRDELS DATA SEQUENCE LNERSSLEAF ILLCSGGTLE NSSFGEFLHW WAMSGYTYQG CMDCLMSYKF DATA SEQUENCE KDGQSAFARR FWEEAAGTGR LGYVFGCPVR SVVNERDAAR VTARDGREFV DATA SEQUENCE AKRVVCTIPL NVLSTIQFSP ALSTERISAM QAGHVSMCTK VHAEVDNKDM DATA SEQUENCE RSWTGIAYPF NKLCYAIGDG TTPAGNTHLV CFGTDANHIQ PDEDVRETLK DATA SEQUENCE AVGQLAPGTF GVKRLVFHNW VKDEFAKGAW FFSRPGMVSE CLQGLREKHG DATA SEQUENCE GVVFANSDWA LGWRSFIDGA IEEGTRAARV VLEE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.267 176.300 -0.055 0.000 1.140 1 M CA 0.000 55.267 55.300 -0.055 0.000 0.988 1 M CB 0.000 32.554 32.600 -0.077 0.000 1.302 2 T N 2.291 116.813 114.554 -0.053 0.000 2.749 2 T HA 0.386 4.736 4.350 0.000 0.000 0.295 2 T C -0.350 174.305 174.700 -0.076 0.000 0.936 2 T CA 0.001 62.073 62.100 -0.047 0.000 1.060 2 T CB 0.893 69.737 68.868 -0.040 0.000 0.904 2 T HN 0.556 nan 8.240 nan 0.000 0.500 3 S N 2.312 117.967 115.700 -0.076 0.000 2.610 3 S HA 0.253 4.723 4.470 0.000 0.000 0.273 3 S C 1.464 175.989 174.600 -0.124 0.000 1.274 3 S CA -0.749 57.364 58.200 -0.145 0.000 1.023 3 S CB 0.619 63.676 63.200 -0.239 0.000 0.962 3 S HN 0.697 nan 8.310 nan 0.000 0.523 4 R N 1.058 121.471 120.500 -0.144 0.000 2.237 4 R HA 0.018 4.358 4.340 0.000 0.000 0.219 4 R C -0.232 175.990 176.300 -0.130 0.000 1.080 4 R CA 0.665 56.694 56.100 -0.117 0.000 0.995 4 R CB -0.085 30.166 30.300 -0.082 0.000 0.875 4 R HN 0.622 nan 8.270 nan 0.000 0.462 5 D N -0.428 119.865 120.400 -0.179 0.000 2.348 5 D HA 0.367 5.007 4.640 0.000 0.000 0.249 5 D C 0.657 177.048 176.300 0.152 0.000 1.110 5 D CA 0.718 54.649 54.000 -0.115 0.000 0.967 5 D CB 1.050 41.489 40.800 -0.602 0.000 1.139 5 D HN 0.226 nan 8.370 nan 0.000 0.466 6 G N -0.520 108.548 108.800 0.448 0.000 2.795 6 G HA2 -0.098 3.862 3.960 0.000 0.000 0.664 6 G HA3 -0.098 3.862 3.960 0.000 0.000 0.664 6 G C -1.544 173.290 174.900 -0.108 0.000 1.381 6 G CA -0.710 44.606 45.100 0.361 0.000 0.853 6 G HN 0.378 nan 8.290 nan 0.000 0.545 7 Y N -0.570 119.606 120.300 -0.207 0.000 2.581 7 Y HA 0.697 5.247 4.550 0.000 0.000 0.337 7 Y C 0.195 175.799 175.900 -0.493 0.000 1.108 7 Y CA -0.560 57.284 58.100 -0.426 0.000 1.033 7 Y CB 2.429 40.369 38.460 -0.866 0.000 1.318 7 Y HN 0.876 nan 8.280 nan 0.000 0.459 8 Q N 1.297 121.001 119.800 -0.160 0.000 2.423 8 Q HA 0.537 4.877 4.340 0.000 0.000 0.278 8 Q C -2.194 173.848 176.000 0.070 0.000 1.097 8 Q CA -0.875 54.864 55.803 -0.107 0.000 0.809 8 Q CB 2.798 31.477 28.738 -0.098 0.000 1.391 8 Q HN 0.735 nan 8.270 nan 0.000 0.428 9 W N 2.611 123.869 121.300 -0.070 0.000 3.259 9 W HA 0.522 5.182 4.660 0.000 0.000 0.331 9 W C -1.456 175.066 176.519 0.004 0.000 1.144 9 W CA -0.274 57.072 57.345 0.003 0.000 1.227 9 W CB 1.759 31.262 29.460 0.071 0.000 1.371 9 W HN 0.697 nan 8.180 nan 0.000 0.491 10 T N 2.206 116.281 114.554 -0.799 0.000 2.916 10 T HA 0.548 4.898 4.350 0.000 0.000 0.292 10 T C -2.541 171.143 174.700 -1.694 0.000 1.064 10 T CA -1.948 59.562 62.100 -0.983 0.000 1.011 10 T CB 2.489 71.099 68.868 -0.430 0.000 1.152 10 T HN 0.163 nan 8.240 nan 0.000 0.510 11 P HA 0.046 nan 4.420 nan 0.000 0.219 11 P C 0.966 178.037 177.300 -0.382 0.000 1.150 11 P CA 0.923 63.608 63.100 -0.693 0.000 0.814 11 P CB 0.130 31.685 31.700 -0.242 0.000 0.787 12 E N -0.747 119.261 120.200 -0.320 0.000 2.076 12 E HA -0.053 4.297 4.350 0.000 0.000 0.190 12 E C 1.244 177.727 176.600 -0.194 0.000 0.979 12 E CA 1.104 57.386 56.400 -0.196 0.000 0.807 12 E CB -0.994 28.619 29.700 -0.145 0.000 0.761 12 E HN 0.351 nan 8.360 nan 0.000 0.454 13 T N -2.230 112.169 114.554 -0.258 0.000 2.880 13 T HA 0.615 4.965 4.350 0.000 0.000 0.279 13 T C 0.921 175.473 174.700 -0.248 0.000 0.990 13 T CA -0.538 61.442 62.100 -0.200 0.000 0.938 13 T CB 1.359 70.130 68.868 -0.162 0.000 1.206 13 T HN 0.068 nan 8.240 nan 0.000 0.573 14 G N -0.500 108.223 108.800 -0.128 0.000 2.582 14 G HA2 0.480 4.440 3.960 0.000 0.000 0.232 14 G HA3 0.480 4.440 3.960 0.000 0.000 0.232 14 G C -0.669 174.250 174.900 0.032 0.000 1.458 14 G CA -0.872 44.203 45.100 -0.042 0.000 1.062 14 G HN 0.770 nan 8.290 nan 0.000 0.566 15 L N 0.808 122.199 121.223 0.280 0.000 2.369 15 L HA 0.455 4.795 4.340 0.000 0.000 0.279 15 L C 0.150 177.134 176.870 0.189 0.000 1.108 15 L CA 0.082 55.123 54.840 0.336 0.000 0.852 15 L CB 0.501 42.772 42.059 0.352 0.000 1.169 15 L HN 0.311 nan 8.230 nan 0.000 0.452 16 T N 5.119 119.754 114.554 0.134 0.000 2.859 16 T HA 0.357 4.707 4.350 0.000 0.000 0.281 16 T C -0.620 174.092 174.700 0.021 0.000 1.005 16 T CA -0.368 61.764 62.100 0.054 0.000 1.025 16 T CB 1.327 70.192 68.868 -0.007 0.000 0.977 16 T HN 0.645 nan 8.240 nan 0.000 0.458 17 Q N 1.339 121.087 119.800 -0.086 0.000 2.322 17 Q HA 0.536 4.876 4.340 0.000 0.000 0.265 17 Q C -0.269 175.579 176.000 -0.253 0.000 0.985 17 Q CA -0.402 55.184 55.803 -0.361 0.000 0.849 17 Q CB 1.013 29.508 28.738 -0.404 0.000 1.274 17 Q HN 1.058 nan 8.270 nan 0.000 0.449 18 G N 1.465 110.114 108.800 -0.251 0.000 3.445 18 G HA2 0.045 4.005 3.960 0.000 0.000 0.686 18 G HA3 0.045 4.005 3.960 0.000 0.000 0.686 18 G C -1.095 173.766 174.900 -0.066 0.000 1.113 18 G CA -0.354 44.672 45.100 -0.122 0.000 0.974 18 G HN 1.163 nan 8.290 nan 0.000 0.492 19 V N 0.743 120.657 119.914 -0.001 0.000 2.808 19 V HA 0.956 5.076 4.120 0.000 0.000 0.308 19 V C -2.224 173.926 176.094 0.092 0.000 1.099 19 V CA -2.351 59.966 62.300 0.027 0.000 0.920 19 V CB 2.334 34.164 31.823 0.012 0.000 1.014 19 V HN 0.684 nan 8.190 nan 0.000 0.425 20 P HA 0.272 nan 4.420 nan 0.000 0.269 20 P C -0.222 177.147 177.300 0.114 0.000 1.211 20 P CA 0.503 63.633 63.100 0.051 0.000 0.781 20 P CB 0.937 32.650 31.700 0.023 0.000 0.877 21 S N 0.702 116.449 115.700 0.077 0.000 2.560 21 S HA 0.211 4.681 4.470 0.000 0.000 0.283 21 S C 0.597 175.196 174.600 -0.001 0.000 1.141 21 S CA -0.661 57.603 58.200 0.107 0.000 0.902 21 S CB 0.236 63.608 63.200 0.287 0.000 1.104 21 S HN 0.208 nan 8.310 nan 0.000 0.454 22 L N 3.696 124.911 121.223 -0.014 0.000 2.549 22 L HA 0.158 4.498 4.340 0.000 0.000 0.229 22 L C 2.405 179.190 176.870 -0.141 0.000 1.158 22 L CA 1.291 56.088 54.840 -0.071 0.000 0.842 22 L CB -0.338 41.687 42.059 -0.057 0.000 0.952 22 L HN 0.859 nan 8.230 nan 0.000 0.452 23 G N -0.630 108.091 108.800 -0.131 0.000 2.572 23 G HA2 0.003 3.963 3.960 0.000 0.000 0.216 23 G HA3 0.003 3.963 3.960 0.000 0.000 0.216 23 G C 0.707 175.348 174.900 -0.433 0.000 1.133 23 G CA -0.165 44.781 45.100 -0.257 0.000 0.791 23 G HN 0.102 nan 8.290 nan 0.000 0.538 24 V N 2.759 122.458 119.914 -0.357 0.000 2.529 24 V HA 0.100 4.220 4.120 0.000 0.000 0.292 24 V C 0.109 175.892 176.094 -0.517 0.000 1.028 24 V CA -0.156 61.887 62.300 -0.427 0.000 1.074 24 V CB 1.111 32.772 31.823 -0.270 0.000 0.958 24 V HN 0.101 nan 8.190 nan 0.000 0.481 25 I N 4.610 124.731 120.570 -0.748 0.000 2.312 25 I HA 0.374 4.544 4.170 0.000 0.000 0.290 25 I C 0.210 176.115 176.117 -0.354 0.000 1.008 25 I CA 0.419 61.278 61.300 -0.735 0.000 1.226 25 I CB 1.122 38.279 38.000 -1.404 0.000 1.371 25 I HN 0.609 nan 8.210 nan 0.000 0.468 26 S N 7.836 123.442 115.700 -0.156 0.000 2.594 26 S HA 0.753 5.223 4.470 0.000 0.000 0.296 26 S C -2.346 172.295 174.600 0.068 0.000 1.124 26 S CA -0.839 57.344 58.200 -0.028 0.000 1.011 26 S CB 1.363 64.533 63.200 -0.049 0.000 1.016 26 S HN 0.443 nan 8.310 nan 0.000 0.485 27 P HA 0.407 nan 4.420 nan 0.000 0.276 27 P C -2.157 175.294 177.300 0.252 0.000 1.252 27 P CA -1.533 61.649 63.100 0.137 0.000 0.802 27 P CB 0.121 31.892 31.700 0.119 0.000 1.035 28 P HA -0.052 nan 4.420 nan 0.000 0.230 28 P C 0.257 177.831 177.300 0.457 0.000 1.158 28 P CA 1.160 64.450 63.100 0.317 0.000 0.769 28 P CB 0.435 32.240 31.700 0.175 0.000 0.807 29 T N 0.226 114.915 114.554 0.226 0.000 2.868 29 T HA 0.395 4.745 4.350 0.000 0.000 0.306 29 T C -0.446 174.056 174.700 -0.331 0.000 1.224 29 T CA -0.636 61.408 62.100 -0.093 0.000 1.012 29 T CB 0.992 69.852 68.868 -0.013 0.000 1.221 29 T HN -0.023 nan 8.240 nan 0.000 0.499 30 N N 2.361 120.701 118.700 -0.600 0.000 2.305 30 N HA 0.211 4.951 4.740 0.000 0.000 0.248 30 N C 0.093 175.515 175.510 -0.147 0.000 1.290 30 N CA -0.382 52.464 53.050 -0.340 0.000 0.873 30 N CB -0.297 37.952 38.487 -0.396 0.000 1.261 30 N HN 0.776 nan 8.380 nan 0.000 0.504 41 D N 0.324 120.942 120.400 0.363 0.000 2.149 41 D HA 0.111 4.751 4.640 0.000 0.000 0.206 41 D C 0.150 176.562 176.300 0.186 0.000 0.967 41 D CA 1.460 55.622 54.000 0.269 0.000 0.848 41 D CB 0.393 41.406 40.800 0.356 0.000 0.998 41 D HN -0.020 nan 8.370 nan 0.000 0.474 42 V N 0.922 120.937 119.914 0.168 0.000 2.808 42 V HA 0.374 4.494 4.120 0.000 0.000 0.308 42 V C -0.463 175.623 176.094 -0.014 0.000 1.099 42 V CA -0.799 61.523 62.300 0.037 0.000 0.920 42 V CB 2.804 34.604 31.823 -0.038 0.000 1.014 42 V HN -0.127 nan 8.190 nan 0.000 0.425 43 I N 3.408 123.940 120.570 -0.063 0.000 2.354 43 I HA 0.467 4.637 4.170 0.000 0.000 0.292 43 I C -0.527 175.504 176.117 -0.143 0.000 0.989 43 I CA -0.718 60.482 61.300 -0.165 0.000 1.188 43 I CB 1.941 39.840 38.000 -0.167 0.000 1.342 43 I HN 0.330 nan 8.210 nan 0.000 0.457 44 V N 7.838 127.649 119.914 -0.172 0.000 2.350 44 V HA 0.376 4.496 4.120 0.000 0.000 0.276 44 V C 0.156 176.153 176.094 -0.162 0.000 1.028 44 V CA -0.460 61.761 62.300 -0.132 0.000 0.860 44 V CB 1.285 33.049 31.823 -0.098 0.000 0.990 44 V HN 0.449 nan 8.190 nan 0.000 0.453 45 I N 4.752 125.251 120.570 -0.118 0.000 2.315 45 I HA 0.703 4.873 4.170 0.000 0.000 0.291 45 I C 0.775 176.841 176.117 -0.085 0.000 1.006 45 I CA 0.051 61.280 61.300 -0.119 0.000 1.265 45 I CB 1.104 39.066 38.000 -0.063 0.000 1.387 45 I HN 0.850 nan 8.210 nan 0.000 0.475 46 G N 3.734 112.456 108.800 -0.131 0.000 3.055 46 G HA2 0.023 3.983 3.960 0.000 0.000 0.686 46 G HA3 0.023 3.983 3.960 0.000 0.000 0.686 46 G C -0.016 174.818 174.900 -0.109 0.000 1.087 46 G CA -0.477 44.560 45.100 -0.105 0.000 0.779 46 G HN 1.036 nan 8.290 nan 0.000 0.599 47 G N 0.806 109.537 108.800 -0.115 0.000 4.098 47 G HA2 0.693 4.653 3.960 0.000 0.000 0.300 47 G HA3 0.693 4.653 3.960 0.000 0.000 0.300 47 G C 0.850 175.655 174.900 -0.159 0.000 1.187 47 G CA 0.945 45.984 45.100 -0.101 0.000 0.964 47 G HN 1.333 nan 8.290 nan 0.000 0.559 48 G N -0.701 108.007 108.800 -0.152 0.000 2.563 48 G HA2 0.323 4.283 3.960 0.000 0.000 0.283 48 G HA3 0.323 4.283 3.960 0.000 0.000 0.283 48 G C 0.591 175.329 174.900 -0.271 0.000 1.309 48 G CA -0.540 44.430 45.100 -0.218 0.000 1.022 48 G HN 0.141 nan 8.290 nan 0.000 0.501 49 Y N -1.247 118.961 120.300 -0.153 0.000 2.333 49 Y HA -0.109 4.441 4.550 0.000 0.000 0.290 49 Y C 2.858 178.610 175.900 -0.246 0.000 1.144 49 Y CA 0.903 58.828 58.100 -0.293 0.000 1.228 49 Y CB -0.575 37.768 38.460 -0.195 0.000 0.985 49 Y HN 0.409 nan 8.280 nan 0.000 0.542 50 C N -0.321 118.968 119.300 -0.018 0.000 2.453 50 C HA -0.045 4.415 4.460 0.000 0.000 0.277 50 C C 3.031 177.991 174.990 -0.050 0.000 1.262 50 C CA 1.534 60.528 59.018 -0.039 0.000 1.718 50 C CB -1.349 26.354 27.740 -0.062 0.000 2.031 50 C HN 0.668 nan 8.230 nan 0.000 0.480 51 G N 0.232 108.993 108.800 -0.065 0.000 2.402 51 G HA2 -0.105 3.856 3.960 0.000 0.000 0.216 51 G HA3 -0.105 3.856 3.960 0.000 0.000 0.216 51 G C 1.606 176.480 174.900 -0.044 0.000 1.162 51 G CA 0.917 45.984 45.100 -0.055 0.000 0.777 51 G HN 0.569 nan 8.290 nan 0.000 0.539 52 L N 0.475 121.641 121.223 -0.094 0.000 2.046 52 L HA -0.091 4.249 4.340 0.000 0.000 0.208 52 L C 3.189 180.060 176.870 0.002 0.000 1.077 52 L CA 1.598 56.397 54.840 -0.068 0.000 0.747 52 L CB -0.806 41.086 42.059 -0.279 0.000 0.896 52 L HN 0.154 nan 8.230 nan 0.000 0.432 53 T N -0.190 114.323 114.554 -0.068 0.000 2.708 53 T HA -0.161 4.189 4.350 0.000 0.000 0.266 53 T C 2.019 176.787 174.700 0.113 0.000 1.037 53 T CA 1.352 63.515 62.100 0.106 0.000 1.146 53 T CB -0.254 68.659 68.868 0.076 0.000 0.865 53 T HN 0.442 nan 8.240 nan 0.000 0.435 54 A N 1.308 124.157 122.820 0.049 0.000 1.877 54 A HA -0.111 4.209 4.320 0.000 0.000 0.216 54 A C 2.569 180.179 177.584 0.044 0.000 1.186 54 A CA 2.057 54.116 52.037 0.037 0.000 0.620 54 A CB -1.262 17.741 19.000 0.005 0.000 0.822 54 A HN 0.468 nan 8.150 nan 0.000 0.443 55 T N -0.519 114.060 114.554 0.042 0.000 2.708 55 T HA -0.154 4.196 4.350 0.000 0.000 0.266 55 T C 2.160 176.907 174.700 0.079 0.000 1.037 55 T CA 1.344 63.471 62.100 0.045 0.000 1.146 55 T CB -0.288 68.603 68.868 0.038 0.000 0.865 55 T HN 0.392 nan 8.240 nan 0.000 0.435 56 R N 1.332 121.907 120.500 0.126 0.000 2.094 56 R HA -0.147 4.193 4.340 0.000 0.000 0.239 56 R C 1.851 178.228 176.300 0.128 0.000 1.137 56 R CA 1.954 58.148 56.100 0.158 0.000 0.943 56 R CB -0.890 29.590 30.300 0.299 0.000 0.850 56 R HN 0.326 nan 8.270 nan 0.000 0.433 57 D N 0.484 120.961 120.400 0.128 0.000 2.097 57 D HA -0.133 4.507 4.640 0.000 0.000 0.195 57 D C 2.102 178.479 176.300 0.127 0.000 0.989 57 D CA 1.105 55.172 54.000 0.113 0.000 0.827 57 D CB -0.227 40.634 40.800 0.101 0.000 0.966 57 D HN 0.231 nan 8.370 nan 0.000 0.456 58 L N 0.503 121.801 121.223 0.125 0.000 2.027 58 L HA -0.129 4.211 4.340 0.000 0.000 0.206 58 L C 2.685 179.709 176.870 0.257 0.000 1.074 58 L CA 1.579 56.535 54.840 0.194 0.000 0.745 58 L CB -0.826 41.282 42.059 0.081 0.000 0.898 58 L HN 0.155 nan 8.230 nan 0.000 0.433 59 T N -3.139 111.509 114.554 0.157 0.000 2.746 59 T HA -0.147 4.203 4.350 0.000 0.000 0.267 59 T C 1.831 176.583 174.700 0.088 0.000 1.039 59 T CA 1.238 63.410 62.100 0.120 0.000 1.142 59 T CB -0.845 68.062 68.868 0.064 0.000 0.866 59 T HN 0.068 nan 8.240 nan 0.000 0.444 60 V N 2.107 122.070 119.914 0.082 0.000 2.469 60 V HA -0.038 4.082 4.120 0.000 0.000 0.251 60 V C 3.005 179.133 176.094 0.057 0.000 1.064 60 V CA 1.644 63.978 62.300 0.057 0.000 1.066 60 V CB -1.175 30.680 31.823 0.054 0.000 0.667 60 V HN 0.739 nan 8.190 nan 0.000 0.461 61 A N -1.231 121.651 122.820 0.103 0.000 2.278 61 A HA 0.455 4.775 4.320 0.000 0.000 0.212 61 A C 1.843 179.416 177.584 -0.019 0.000 1.213 61 A CA 1.018 53.111 52.037 0.094 0.000 0.840 61 A CB -0.206 18.915 19.000 0.202 0.000 0.866 61 A HN 1.054 nan 8.150 nan 0.000 0.489 62 G N -1.812 106.969 108.800 -0.031 0.000 2.218 62 G HA2 -0.204 3.756 3.960 0.000 0.000 0.216 62 G HA3 -0.204 3.756 3.960 0.000 0.000 0.216 62 G C -0.003 174.772 174.900 -0.207 0.000 0.994 62 G CA -0.167 44.837 45.100 -0.161 0.000 0.637 62 G HN 0.297 nan 8.290 nan 0.000 0.505 63 F N 2.249 122.222 119.950 0.038 0.000 2.484 63 F HA 0.458 4.985 4.527 0.000 0.000 0.360 63 F C 1.228 177.076 175.800 0.079 0.000 1.101 63 F CA -0.006 58.026 58.000 0.054 0.000 1.251 63 F CB 0.779 39.812 39.000 0.054 0.000 1.132 63 F HN -0.134 nan 8.300 nan 0.000 0.570 64 K N 2.536 123.101 120.400 0.276 0.000 2.349 64 K HA 0.300 4.620 4.320 0.000 0.000 0.289 64 K C -0.553 176.290 176.600 0.406 0.000 1.064 64 K CA -0.061 56.398 56.287 0.287 0.000 0.947 64 K CB 0.459 33.080 32.500 0.202 0.000 1.007 64 K HN 0.572 nan 8.250 nan 0.000 0.478 65 T N 3.346 118.107 114.554 0.345 0.000 2.848 65 T HA 0.318 4.668 4.350 0.000 0.000 0.285 65 T C -1.161 173.482 174.700 -0.095 0.000 0.995 65 T CA -0.742 61.450 62.100 0.152 0.000 0.970 65 T CB 1.119 70.038 68.868 0.085 0.000 0.976 65 T HN 0.239 nan 8.240 nan 0.000 0.441 66 L N 3.835 124.792 121.223 -0.443 0.000 2.307 66 L HA 0.752 5.092 4.340 0.000 0.000 0.284 66 L C -1.206 175.376 176.870 -0.481 0.000 1.023 66 L CA -0.858 53.491 54.840 -0.818 0.000 0.810 66 L CB 1.294 42.357 42.059 -1.660 0.000 1.231 66 L HN 0.680 nan 8.230 nan 0.000 0.423 67 L N 5.632 126.621 121.223 -0.390 0.000 2.341 67 L HA 0.623 4.963 4.340 0.000 0.000 0.278 67 L C -1.504 175.101 176.870 -0.443 0.000 1.005 67 L CA -0.451 54.200 54.840 -0.314 0.000 0.818 67 L CB 1.346 43.312 42.059 -0.155 0.000 1.259 67 L HN 0.606 nan 8.230 nan 0.000 0.418 68 L N 4.344 125.300 121.223 -0.445 0.000 2.333 68 L HA 0.598 4.938 4.340 0.000 0.000 0.280 68 L C -0.738 175.884 176.870 -0.414 0.000 1.004 68 L CA -0.521 54.028 54.840 -0.486 0.000 0.820 68 L CB 1.810 43.569 42.059 -0.501 0.000 1.247 68 L HN 0.521 nan 8.230 nan 0.000 0.416 69 E N 1.412 121.322 120.200 -0.483 0.000 2.256 69 E HA 0.613 4.963 4.350 0.000 0.000 0.267 69 E C 0.086 176.494 176.600 -0.321 0.000 0.892 69 E CA -0.235 55.937 56.400 -0.380 0.000 0.775 69 E CB 2.190 31.669 29.700 -0.368 0.000 1.207 69 E HN 0.539 nan 8.360 nan 0.000 0.420 70 A N 4.346 126.915 122.820 -0.419 0.000 1.898 70 A HA 0.065 4.385 4.320 0.000 0.000 0.214 70 A C 0.807 178.119 177.584 -0.454 0.000 1.183 70 A CA 0.815 52.461 52.037 -0.651 0.000 0.622 70 A CB -0.222 17.811 19.000 -1.612 0.000 0.824 70 A HN 0.591 nan 8.150 nan 0.000 0.444 71 R N 0.175 120.484 120.500 -0.319 0.000 2.574 71 R HA 0.313 4.653 4.340 0.000 0.000 0.266 71 R C -0.125 176.143 176.300 -0.053 0.000 1.157 71 R CA 0.125 56.134 56.100 -0.151 0.000 1.187 71 R CB 0.016 30.216 30.300 -0.167 0.000 1.179 71 R HN 0.381 nan 8.270 nan 0.000 0.600 72 D N -0.506 119.814 120.400 -0.135 0.000 2.325 72 D HA 0.013 4.653 4.640 0.000 0.000 0.225 72 D C -0.023 176.008 176.300 -0.449 0.000 1.096 72 D CA -0.163 53.721 54.000 -0.194 0.000 0.844 72 D CB 0.025 40.721 40.800 -0.174 0.000 0.925 72 D HN 0.468 nan 8.370 nan 0.000 0.513 73 R N -0.306 119.926 120.500 -0.446 0.000 2.764 73 R HA 0.597 4.937 4.340 0.000 0.000 0.270 73 R C -0.299 175.734 176.300 -0.446 0.000 1.014 73 R CA -1.134 54.611 56.100 -0.591 0.000 0.904 73 R CB 1.009 30.993 30.300 -0.526 0.000 1.236 73 R HN 0.039 nan 8.270 nan 0.000 0.466 74 I N -1.932 118.342 120.570 -0.494 0.000 2.934 74 I HA 0.765 4.935 4.170 0.000 0.000 0.315 74 I C 0.617 176.552 176.117 -0.303 0.000 0.997 74 I CA 0.031 61.128 61.300 -0.338 0.000 1.184 74 I CB 1.546 39.301 38.000 -0.408 0.000 1.400 74 I HN 0.964 nan 8.210 nan 0.000 0.549 75 G N 0.995 109.600 108.800 -0.326 0.000 2.307 75 G HA2 -0.025 3.935 3.960 0.000 0.000 0.210 75 G HA3 -0.025 3.935 3.960 0.000 0.000 0.210 75 G C 0.953 175.759 174.900 -0.156 0.000 1.005 75 G CA 0.151 45.052 45.100 -0.332 0.000 0.634 75 G HN 1.983 nan 8.290 nan 0.000 0.496 76 G N 0.555 109.303 108.800 -0.088 0.000 2.646 76 G HA2 -0.424 3.536 3.960 0.000 0.000 0.324 76 G HA3 -0.424 3.536 3.960 0.000 0.000 0.324 76 G C 0.956 175.997 174.900 0.235 0.000 1.195 76 G CA 1.532 46.660 45.100 0.046 0.000 0.976 76 G HN 1.161 nan 8.290 nan 0.000 0.546 77 R N 0.963 121.552 120.500 0.148 0.000 2.323 77 R HA 0.364 4.704 4.340 0.000 0.000 0.198 77 R C 0.850 177.185 176.300 0.059 0.000 0.988 77 R CA 0.863 56.926 56.100 -0.061 0.000 1.041 77 R CB -0.020 30.186 30.300 -0.158 0.000 0.926 77 R HN 0.343 nan 8.270 nan 0.000 0.476 78 S N 0.770 116.658 115.700 0.313 0.000 2.647 78 S HA 0.527 4.997 4.470 0.000 0.000 0.300 78 S C -1.710 173.198 174.600 0.514 0.000 1.129 78 S CA -0.849 57.593 58.200 0.403 0.000 1.029 78 S CB 0.719 64.197 63.200 0.463 0.000 1.007 78 S HN 0.367 nan 8.310 nan 0.000 0.484 79 W N 2.344 123.768 121.300 0.208 0.000 3.298 79 W HA 0.602 5.263 4.660 0.000 0.000 0.302 79 W C -1.563 175.034 176.519 0.129 0.000 1.255 79 W CA -0.843 56.575 57.345 0.121 0.000 1.196 79 W CB 0.224 29.716 29.460 0.054 0.000 1.364 79 W HN 0.682 nan 8.180 nan 0.000 0.566 80 S N 0.690 116.441 115.700 0.086 0.000 2.607 80 S HA 0.742 5.212 4.470 0.000 0.000 0.303 80 S C -1.047 173.515 174.600 -0.064 0.000 1.086 80 S CA -0.779 57.359 58.200 -0.103 0.000 0.995 80 S CB 2.230 65.397 63.200 -0.056 0.000 1.084 80 S HN 0.733 nan 8.310 nan 0.000 0.507 81 S N 1.256 116.882 115.700 -0.123 0.000 2.659 81 S HA 0.442 4.912 4.470 0.000 0.000 0.312 81 S C -1.372 173.247 174.600 0.032 0.000 1.114 81 S CA -0.801 57.388 58.200 -0.019 0.000 1.063 81 S CB 0.026 63.189 63.200 -0.061 0.000 0.996 81 S HN 0.647 nan 8.310 nan 0.000 0.478 82 N N 4.646 123.360 118.700 0.023 0.000 2.402 82 N HA 0.346 5.086 4.740 0.000 0.000 0.252 82 N C -0.899 174.659 175.510 0.080 0.000 1.118 82 N CA 0.145 53.206 53.050 0.020 0.000 0.945 82 N CB 0.269 38.746 38.487 -0.017 0.000 1.147 82 N HN 0.613 nan 8.380 nan 0.000 0.495 83 I N 1.475 122.156 120.570 0.185 0.000 2.410 83 I HA 0.102 4.272 4.170 0.000 0.000 0.286 83 I C -0.237 176.000 176.117 0.200 0.000 1.009 83 I CA -0.575 60.833 61.300 0.180 0.000 1.111 83 I CB 1.192 39.286 38.000 0.156 0.000 1.262 83 I HN 0.284 nan 8.210 nan 0.000 0.443 84 D N 5.344 125.807 120.400 0.105 0.000 2.708 84 D HA -0.190 4.450 4.640 0.000 0.000 0.236 84 D C 1.094 177.449 176.300 0.092 0.000 1.146 84 D CA 1.828 55.878 54.000 0.084 0.000 0.662 84 D CB -0.921 39.930 40.800 0.084 0.000 1.059 84 D HN 1.108 nan 8.370 nan 0.000 0.428 85 G N -1.153 107.690 108.800 0.073 0.000 2.179 85 G HA2 -0.366 3.594 3.960 0.000 0.000 0.260 85 G HA3 -0.366 3.594 3.960 0.000 0.000 0.260 85 G C -0.015 174.915 174.900 0.050 0.000 0.977 85 G CA 0.367 45.496 45.100 0.048 0.000 0.641 85 G HN 0.572 nan 8.290 nan 0.000 0.533 86 Y N 1.840 122.082 120.300 -0.096 0.000 2.335 86 Y HA 0.593 5.144 4.550 0.000 0.000 0.338 86 Y C -2.338 173.339 175.900 -0.372 0.000 0.977 86 Y CA -2.670 55.264 58.100 -0.276 0.000 1.114 86 Y CB 2.257 40.461 38.460 -0.427 0.000 1.182 86 Y HN 0.016 nan 8.280 nan 0.000 0.463 87 P HA 0.128 nan 4.420 nan 0.000 0.286 87 P C -1.615 175.221 177.300 -0.773 0.000 1.321 87 P CA 0.170 62.905 63.100 -0.608 0.000 0.790 87 P CB -0.114 31.309 31.700 -0.461 0.000 0.897 88 Y N 1.703 121.783 120.300 -0.366 0.000 2.452 88 Y HA 0.136 4.686 4.550 0.000 0.000 0.348 88 Y C 1.322 176.962 175.900 -0.432 0.000 0.985 88 Y CA -0.079 57.721 58.100 -0.501 0.000 1.214 88 Y CB 0.622 38.808 38.460 -0.457 0.000 1.136 88 Y HN 0.255 nan 8.280 nan 0.000 0.523 89 E N 5.125 125.180 120.200 -0.241 0.000 2.070 89 E HA 0.059 4.409 4.350 0.000 0.000 0.282 89 E C 0.554 177.235 176.600 0.135 0.000 1.104 89 E CA -0.026 56.335 56.400 -0.066 0.000 0.876 89 E CB 0.773 30.440 29.700 -0.054 0.000 1.055 89 E HN 0.737 nan 8.360 nan 0.000 0.401 90 M N 0.996 120.521 119.600 -0.126 0.000 2.349 90 M HA 0.051 4.531 4.480 0.000 0.000 0.266 90 M C 1.207 177.799 176.300 0.486 0.000 1.076 90 M CA 0.742 56.034 55.300 -0.014 0.000 1.126 90 M CB -0.433 31.633 32.600 -0.889 0.000 1.392 90 M HN 0.408 nan 8.290 nan 0.000 0.440 91 G N -0.671 108.342 108.800 0.355 0.000 3.359 91 G HA2 0.504 4.464 3.960 0.000 0.000 0.187 91 G HA3 0.504 4.464 3.960 0.000 0.000 0.187 91 G C -0.308 174.699 174.900 0.179 0.000 1.294 91 G CA -0.078 45.214 45.100 0.320 0.000 0.769 91 G HN 0.368 nan 8.290 nan 0.000 0.733 92 G N -0.434 108.442 108.800 0.126 0.000 2.340 92 G HA2 0.418 4.378 3.960 0.000 0.000 0.245 92 G HA3 0.418 4.378 3.960 0.000 0.000 0.245 92 G C 0.328 175.274 174.900 0.076 0.000 1.294 92 G CA 0.875 46.040 45.100 0.108 0.000 0.896 92 G HN 0.439 nan 8.290 nan 0.000 0.522 93 T N 1.648 116.166 114.554 -0.060 0.000 3.280 93 T HA 0.146 4.496 4.350 0.000 0.000 0.256 93 T C 0.310 174.835 174.700 -0.292 0.000 0.995 93 T CA -0.036 61.877 62.100 -0.312 0.000 1.144 93 T CB 0.261 68.568 68.868 -0.935 0.000 1.140 93 T HN 0.534 nan 8.240 nan 0.000 0.423 94 W N 3.578 124.883 121.300 0.008 0.000 2.313 94 W HA 0.605 5.265 4.660 0.000 0.000 0.328 94 W C -0.070 176.371 176.519 -0.131 0.000 1.197 94 W CA -0.929 56.369 57.345 -0.078 0.000 1.235 94 W CB 0.645 30.049 29.460 -0.094 0.000 1.158 94 W HN 0.081 nan 8.180 nan 0.000 0.578 95 V N -0.537 119.400 119.914 0.038 0.000 3.167 95 V HA 0.653 4.773 4.120 0.000 0.000 0.310 95 V C -1.004 175.052 176.094 -0.064 0.000 1.207 95 V CA -0.785 61.463 62.300 -0.087 0.000 1.059 95 V CB 2.764 34.490 31.823 -0.161 0.000 1.079 95 V HN 0.714 nan 8.190 nan 0.000 0.446 96 H N -0.061 118.832 119.070 -0.295 0.000 3.037 96 H HA 0.238 4.794 4.556 0.000 0.000 0.336 96 H C -0.700 174.285 175.328 -0.571 0.000 1.323 96 H CA 0.056 55.769 56.048 -0.558 0.000 1.159 96 H CB 1.839 31.125 29.762 -0.794 0.000 1.882 96 H HN 0.982 nan 8.280 nan 0.000 0.535 97 W N 1.798 122.361 121.300 -1.227 0.000 2.699 97 W HA 0.105 4.765 4.660 0.000 0.000 0.249 97 W C 0.693 176.996 176.519 -0.360 0.000 1.280 97 W CA 0.307 56.840 57.345 -1.353 0.000 1.345 97 W CB -0.595 27.602 29.460 -2.106 0.000 1.128 97 W HN 0.523 nan 8.180 nan 0.000 0.642 98 H N 0.678 119.675 119.070 -0.123 0.000 2.556 98 H HA 0.097 4.653 4.556 0.000 0.000 0.268 98 H C 0.384 175.678 175.328 -0.058 0.000 0.996 98 H CA 0.168 56.192 56.048 -0.039 0.000 1.157 98 H CB 0.093 29.794 29.762 -0.102 0.000 1.355 98 H HN 0.253 nan 8.280 nan 0.000 0.597 99 Q N 0.873 120.564 119.800 -0.182 0.000 2.421 99 Q HA 0.096 4.436 4.340 0.000 0.000 0.242 99 Q C 0.912 176.909 176.000 -0.005 0.000 1.024 99 Q CA -0.311 55.245 55.803 -0.410 0.000 0.891 99 Q CB 1.873 30.027 28.738 -0.974 0.000 1.222 99 Q HN 0.151 nan 8.270 nan 0.000 0.483 100 S N 3.063 118.833 115.700 0.116 0.000 2.369 100 S HA -0.259 4.211 4.470 0.000 0.000 0.225 100 S C 1.435 176.021 174.600 -0.022 0.000 1.043 100 S CA 1.664 59.868 58.200 0.007 0.000 1.074 100 S CB -0.059 63.017 63.200 -0.206 0.000 0.962 100 S HN 0.753 nan 8.310 nan 0.000 0.433 101 H N -0.672 118.509 119.070 0.185 0.000 2.403 101 H HA 0.099 4.655 4.556 0.000 0.000 0.298 101 H C 2.440 177.891 175.328 0.206 0.000 1.059 101 H CA 1.276 57.432 56.048 0.181 0.000 1.363 101 H CB -0.779 29.087 29.762 0.173 0.000 1.410 101 H HN 0.389 nan 8.280 nan 0.000 0.528 102 V N 1.114 121.209 119.914 0.302 0.000 2.427 102 V HA -0.180 3.940 4.120 0.000 0.000 0.248 102 V C 2.091 178.358 176.094 0.289 0.000 1.051 102 V CA 1.210 63.691 62.300 0.303 0.000 1.048 102 V CB -0.472 31.461 31.823 0.183 0.000 0.666 102 V HN 0.535 nan 8.190 nan 0.000 0.456 103 W N 0.834 122.177 121.300 0.071 0.000 2.425 103 W HA -0.147 4.513 4.660 0.000 0.000 0.277 103 W C 2.555 179.123 176.519 0.083 0.000 1.231 103 W CA 1.675 59.059 57.345 0.064 0.000 1.248 103 W CB -0.061 29.432 29.460 0.054 0.000 1.117 103 W HN 0.249 nan 8.180 nan 0.000 0.568 104 R N 0.761 121.333 120.500 0.120 0.000 2.070 104 R HA -0.171 4.169 4.340 0.000 0.000 0.233 104 R C 1.960 178.256 176.300 -0.007 0.000 1.137 104 R CA 1.850 57.954 56.100 0.008 0.000 0.945 104 R CB -0.480 29.848 30.300 0.047 0.000 0.845 104 R HN -0.055 nan 8.270 nan 0.000 0.430 105 E N 0.582 120.880 120.200 0.163 0.000 2.209 105 E HA -0.199 4.151 4.350 0.000 0.000 0.196 105 E C 2.012 178.734 176.600 0.204 0.000 0.993 105 E CA 1.070 57.572 56.400 0.170 0.000 0.819 105 E CB -0.147 29.811 29.700 0.430 0.000 0.745 105 E HN 0.535 nan 8.360 nan 0.000 0.477 106 I N 1.226 121.844 120.570 0.081 0.000 2.286 106 I HA -0.213 3.957 4.170 0.000 0.000 0.245 106 I C 2.659 178.638 176.117 -0.231 0.000 1.104 106 I CA 1.610 62.841 61.300 -0.115 0.000 1.397 106 I CB -0.473 37.219 38.000 -0.513 0.000 1.072 106 I HN 0.159 nan 8.210 nan 0.000 0.417 107 T N -1.128 113.185 114.554 -0.402 0.000 2.812 107 T HA -0.192 4.158 4.350 0.000 0.000 0.264 107 T C 2.036 176.666 174.700 -0.117 0.000 1.042 107 T CA 0.848 62.795 62.100 -0.254 0.000 1.140 107 T CB -0.437 68.219 68.868 -0.353 0.000 0.870 107 T HN 0.220 nan 8.240 nan 0.000 0.445 108 R N -0.072 120.317 120.500 -0.185 0.000 2.103 108 R HA -0.120 4.220 4.340 0.000 0.000 0.242 108 R C 1.608 177.777 176.300 -0.218 0.000 1.142 108 R CA 1.554 57.510 56.100 -0.241 0.000 0.960 108 R CB -0.477 29.594 30.300 -0.381 0.000 0.858 108 R HN 0.479 nan 8.270 nan 0.000 0.439 109 Y N 0.841 121.107 120.300 -0.058 0.000 2.502 109 Y HA 0.147 4.697 4.550 0.000 0.000 0.295 109 Y C 0.079 175.958 175.900 -0.034 0.000 1.193 109 Y CA 0.226 58.291 58.100 -0.058 0.000 1.295 109 Y CB -0.126 38.295 38.460 -0.064 0.000 1.059 109 Y HN 0.021 nan 8.280 nan 0.000 0.514 110 K N -0.310 120.158 120.400 0.113 0.000 3.257 110 K HA -0.258 4.062 4.320 0.000 0.000 0.270 110 K C 0.346 176.889 176.600 -0.094 0.000 0.984 110 K CA 0.690 57.031 56.287 0.090 0.000 0.739 110 K CB -1.538 31.000 32.500 0.063 0.000 1.351 110 K HN 0.440 nan 8.250 nan 0.000 0.463 111 M N -0.285 119.273 119.600 -0.070 0.000 2.347 111 M HA 0.041 4.521 4.480 0.000 0.000 0.302 111 M C 1.630 177.810 176.300 -0.200 0.000 1.051 111 M CA -0.213 55.023 55.300 -0.108 0.000 0.988 111 M CB 0.287 32.922 32.600 0.058 0.000 1.475 111 M HN 0.368 nan 8.290 nan 0.000 0.530 112 H N -1.079 117.874 119.070 -0.196 0.000 2.489 112 H HA 0.033 4.590 4.556 0.000 0.000 0.293 112 H C 0.418 175.726 175.328 -0.032 0.000 1.066 112 H CA 0.924 56.843 56.048 -0.216 0.000 1.305 112 H CB -0.417 29.210 29.762 -0.225 0.000 1.386 112 H HN 0.315 nan 8.280 nan 0.000 0.551 113 N N 0.542 119.024 118.700 -0.365 0.000 2.214 113 N HA 0.226 4.966 4.740 0.000 0.000 0.214 113 N C 0.533 175.977 175.510 -0.109 0.000 1.132 113 N CA 0.550 53.496 53.050 -0.172 0.000 0.856 113 N CB 0.906 39.283 38.487 -0.183 0.000 1.020 113 N HN 0.457 nan 8.380 nan 0.000 0.509 114 A N 0.444 123.216 122.820 -0.079 0.000 2.708 114 A HA 0.375 4.695 4.320 0.000 0.000 0.293 114 A C 0.192 177.810 177.584 0.057 0.000 1.303 114 A CA -0.223 51.813 52.037 -0.001 0.000 0.949 114 A CB -0.196 18.817 19.000 0.023 0.000 1.121 114 A HN 0.098 nan 8.150 nan 0.000 0.542 115 L N -0.036 121.195 121.223 0.013 0.000 2.334 115 L HA 0.539 4.879 4.340 0.000 0.000 0.272 115 L C -0.026 176.863 176.870 0.032 0.000 1.020 115 L CA -0.516 54.326 54.840 0.004 0.000 0.812 115 L CB 2.070 44.118 42.059 -0.019 0.000 1.264 115 L HN 0.117 nan 8.230 nan 0.000 0.439 116 S N 1.553 117.294 115.700 0.069 0.000 2.501 116 S HA 0.546 5.016 4.470 0.000 0.000 0.301 116 S C -2.581 172.149 174.600 0.216 0.000 1.096 116 S CA -1.192 57.073 58.200 0.107 0.000 1.063 116 S CB 1.878 65.129 63.200 0.085 0.000 1.042 116 S HN 0.375 nan 8.310 nan 0.000 0.494 117 P HA 0.331 nan 4.420 nan 0.000 0.287 117 P C 0.130 177.510 177.300 0.133 0.000 1.281 117 P CA -0.252 63.014 63.100 0.275 0.000 0.781 117 P CB 1.184 33.030 31.700 0.244 0.000 0.903 118 S N 2.363 118.104 115.700 0.068 0.000 2.356 118 S HA -0.040 4.430 4.470 0.000 0.000 0.223 118 S C 0.644 175.093 174.600 -0.252 0.000 1.032 118 S CA 1.112 59.276 58.200 -0.060 0.000 1.005 118 S CB -0.610 62.528 63.200 -0.103 0.000 0.867 118 S HN 0.416 nan 8.310 nan 0.000 0.449 119 F N 2.309 122.180 119.950 -0.132 0.000 2.412 119 F HA 0.480 5.007 4.527 0.000 0.000 0.348 119 F C 0.583 176.167 175.800 -0.359 0.000 1.102 119 F CA -0.776 57.011 58.000 -0.354 0.000 1.196 119 F CB 0.417 39.004 39.000 -0.689 0.000 1.144 119 F HN -0.001 nan 8.300 nan 0.000 0.541 120 N N 2.982 121.596 118.700 -0.143 0.000 2.594 120 N HA 0.199 4.939 4.740 0.000 0.000 0.280 120 N C -1.149 174.432 175.510 0.118 0.000 1.156 120 N CA -0.417 52.601 53.050 -0.052 0.000 0.831 120 N CB 0.295 38.819 38.487 0.062 0.000 1.379 120 N HN 0.253 nan 8.380 nan 0.000 0.536 121 F N 1.071 121.077 119.950 0.093 0.000 2.668 121 F HA 0.210 4.737 4.527 0.000 0.000 0.297 121 F C 1.988 177.845 175.800 0.094 0.000 1.124 121 F CA -0.403 57.651 58.000 0.091 0.000 1.353 121 F CB -0.412 38.620 39.000 0.053 0.000 0.992 121 F HN 0.495 nan 8.300 nan 0.000 0.524 122 S N 0.413 116.255 115.700 0.237 0.000 2.593 122 S HA 0.211 4.681 4.470 0.000 0.000 0.217 122 S C 0.621 175.301 174.600 0.132 0.000 0.966 122 S CA -0.360 57.935 58.200 0.159 0.000 0.914 122 S CB -0.054 63.213 63.200 0.113 0.000 0.776 122 S HN 0.516 nan 8.310 nan 0.000 0.523 123 R N -1.789 118.799 120.500 0.147 0.000 2.728 123 R HA 0.664 5.004 4.340 0.000 0.000 0.274 123 R C 0.229 176.599 176.300 0.117 0.000 1.030 123 R CA -0.580 55.587 56.100 0.111 0.000 0.876 123 R CB 0.044 30.398 30.300 0.089 0.000 1.259 123 R HN 0.556 nan 8.270 nan 0.000 0.468 124 G N -0.169 108.679 108.800 0.080 0.000 2.545 124 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 124 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 124 G C 0.622 175.535 174.900 0.021 0.000 1.314 124 G CA 0.269 45.407 45.100 0.064 0.000 0.906 124 G HN 1.444 nan 8.290 nan 0.000 0.563 125 V N -1.907 117.988 119.914 -0.032 0.000 2.515 125 V HA 0.079 4.199 4.120 0.000 0.000 0.250 125 V C 1.580 177.515 176.094 -0.265 0.000 1.058 125 V CA 2.346 64.512 62.300 -0.224 0.000 1.064 125 V CB -1.132 30.421 31.823 -0.451 0.000 0.675 125 V HN 2.596 nan 8.190 nan 0.000 0.461 126 N N 1.689 120.346 118.700 -0.071 0.000 2.714 126 N HA -0.223 4.517 4.740 0.000 0.000 0.252 126 N C -0.306 175.108 175.510 -0.159 0.000 1.014 126 N CA 1.367 54.423 53.050 0.010 0.000 0.735 126 N CB -1.819 36.700 38.487 0.054 0.000 0.924 126 N HN 1.169 nan 8.380 nan 0.000 0.540 127 H N -2.351 116.628 119.070 -0.152 0.000 2.985 127 H HA 0.618 5.175 4.556 0.000 0.000 0.360 127 H C -1.306 173.794 175.328 -0.380 0.000 1.221 127 H CA -1.289 54.542 56.048 -0.362 0.000 1.121 127 H CB -0.002 29.729 29.762 -0.052 0.000 1.854 127 H HN 0.002 nan 8.280 nan 0.000 0.551 128 F N 1.721 121.466 119.950 -0.342 0.000 2.405 128 F HA 0.361 4.888 4.527 0.000 0.000 0.355 128 F C -0.179 175.478 175.800 -0.238 0.000 1.121 128 F CA -0.563 57.259 58.000 -0.296 0.000 1.112 128 F CB 1.431 40.265 39.000 -0.277 0.000 1.126 128 F HN 0.737 nan 8.300 nan 0.000 0.481 129 Q N 7.047 126.387 119.800 -0.766 0.000 2.400 129 Q HA 0.397 4.737 4.340 0.000 0.000 0.255 129 Q C -1.782 173.605 176.000 -1.022 0.000 1.008 129 Q CA -0.998 54.356 55.803 -0.747 0.000 0.841 129 Q CB 1.131 29.792 28.738 -0.129 0.000 1.220 129 Q HN 0.767 nan 8.270 nan 0.000 0.474 130 L N 4.952 125.543 121.223 -1.053 0.000 2.264 130 L HA 0.439 4.779 4.340 0.000 0.000 0.289 130 L C -1.044 175.615 176.870 -0.351 0.000 1.044 130 L CA 0.092 54.497 54.840 -0.724 0.000 0.807 130 L CB 0.823 42.529 42.059 -0.588 0.000 1.192 130 L HN 0.545 nan 8.230 nan 0.000 0.425 131 R N 3.319 123.736 120.500 -0.138 0.000 2.360 131 R HA 0.360 4.700 4.340 0.000 0.000 0.318 131 R C 0.274 176.706 176.300 0.221 0.000 0.950 131 R CA 0.140 56.274 56.100 0.056 0.000 0.837 131 R CB 1.236 31.669 30.300 0.222 0.000 1.165 131 R HN 0.772 nan 8.270 nan 0.000 0.458 132 T N -1.606 113.036 114.554 0.148 0.000 3.023 132 T HA 0.049 4.399 4.350 0.000 0.000 0.253 132 T C 0.370 175.158 174.700 0.147 0.000 1.038 132 T CA -0.119 62.090 62.100 0.181 0.000 0.962 132 T CB -0.192 68.728 68.868 0.087 0.000 1.018 132 T HN 0.650 nan 8.240 nan 0.000 0.521 133 N N -0.474 118.203 118.700 -0.039 0.000 2.825 133 N HA 0.474 5.214 4.740 0.000 0.000 0.253 133 N C -3.073 171.826 175.510 -1.020 0.000 1.426 133 N CA -1.962 50.828 53.050 -0.432 0.000 0.851 133 N CB 0.930 39.271 38.487 -0.243 0.000 1.470 133 N HN -0.305 nan 8.380 nan 0.000 0.517 134 P HA 0.035 nan 4.420 nan 0.000 0.230 134 P C 0.324 177.360 177.300 -0.440 0.000 1.158 134 P CA 1.202 63.667 63.100 -1.058 0.000 0.769 134 P CB 0.082 31.387 31.700 -0.657 0.000 0.807 135 T N -6.044 108.320 114.554 -0.316 0.000 2.971 135 T HA 0.126 4.476 4.350 0.000 0.000 0.252 135 T C 0.793 175.421 174.700 -0.119 0.000 1.022 135 T CA 0.150 62.148 62.100 -0.171 0.000 0.980 135 T CB -0.457 68.331 68.868 -0.132 0.000 1.044 135 T HN 0.123 nan 8.240 nan 0.000 0.501 136 T N -0.367 114.106 114.554 -0.135 0.000 2.916 136 T HA 0.767 5.117 4.350 0.000 0.000 0.292 136 T C -0.809 173.821 174.700 -0.118 0.000 1.064 136 T CA -0.692 61.350 62.100 -0.096 0.000 1.011 136 T CB 2.206 71.022 68.868 -0.086 0.000 1.152 136 T HN 0.037 nan 8.240 nan 0.000 0.510 137 S N -0.018 115.591 115.700 -0.153 0.000 2.570 137 S HA 0.750 5.220 4.470 0.000 0.000 0.286 137 S C -0.861 173.496 174.600 -0.405 0.000 1.099 137 S CA -0.811 57.186 58.200 -0.337 0.000 0.913 137 S CB 2.019 64.895 63.200 -0.540 0.000 1.085 137 S HN 0.887 nan 8.310 nan 0.000 0.480 138 T N 2.570 116.819 114.554 -0.508 0.000 2.809 138 T HA 0.520 4.870 4.350 0.000 0.000 0.284 138 T C -1.486 172.867 174.700 -0.579 0.000 0.992 138 T CA -0.250 61.614 62.100 -0.393 0.000 0.957 138 T CB 0.222 68.956 68.868 -0.223 0.000 0.942 138 T HN 0.420 nan 8.240 nan 0.000 0.439 139 Y N 3.948 124.117 120.300 -0.219 0.000 2.341 139 Y HA 0.718 5.268 4.550 0.000 0.000 0.337 139 Y C 0.493 176.286 175.900 -0.179 0.000 1.014 139 Y CA -1.190 56.726 58.100 -0.307 0.000 1.111 139 Y CB 1.232 39.457 38.460 -0.391 0.000 1.194 139 Y HN 0.546 nan 8.280 nan 0.000 0.462 140 M N -0.000 119.605 119.600 0.008 0.000 2.683 140 M HA 0.640 5.120 4.480 0.000 0.000 0.274 140 M C -0.673 175.623 176.300 -0.005 0.000 1.272 140 M CA -1.079 54.241 55.300 0.033 0.000 0.833 140 M CB 2.017 34.653 32.600 0.059 0.000 1.708 140 M HN 0.551 nan 8.290 nan 0.000 0.463 141 T N -2.290 112.242 114.554 -0.036 0.000 2.802 141 T HA 0.191 4.541 4.350 0.000 0.000 0.305 141 T C 0.868 175.446 174.700 -0.202 0.000 1.053 141 T CA -0.039 61.991 62.100 -0.117 0.000 1.058 141 T CB 0.234 69.070 68.868 -0.053 0.000 0.988 141 T HN 0.708 nan 8.240 nan 0.000 0.539 142 H N 0.049 119.012 119.070 -0.178 0.000 2.421 142 H HA -0.054 4.502 4.556 0.000 0.000 0.298 142 H C 2.177 177.412 175.328 -0.153 0.000 1.087 142 H CA 1.876 57.758 56.048 -0.277 0.000 1.330 142 H CB -0.068 29.298 29.762 -0.662 0.000 1.388 142 H HN 0.905 nan 8.280 nan 0.000 0.526 143 E N 0.742 120.943 120.200 0.002 0.000 2.058 143 E HA -0.152 4.198 4.350 0.000 0.000 0.194 143 E C 2.369 178.952 176.600 -0.028 0.000 0.997 143 E CA 1.028 57.428 56.400 0.000 0.000 0.801 143 E CB 0.052 29.757 29.700 0.008 0.000 0.746 143 E HN 0.386 nan 8.360 nan 0.000 0.450 144 A N 1.163 123.962 122.820 -0.036 0.000 1.930 144 A HA -0.231 4.089 4.320 0.000 0.000 0.217 144 A C 2.058 179.597 177.584 -0.074 0.000 1.175 144 A CA 1.627 53.641 52.037 -0.039 0.000 0.627 144 A CB -0.581 18.410 19.000 -0.015 0.000 0.815 144 A HN 0.483 nan 8.150 nan 0.000 0.443 145 E N 0.097 120.228 120.200 -0.114 0.000 2.058 145 E HA -0.270 4.080 4.350 0.000 0.000 0.194 145 E C 1.182 177.600 176.600 -0.304 0.000 0.997 145 E CA 1.535 57.756 56.400 -0.298 0.000 0.801 145 E CB -0.248 29.158 29.700 -0.489 0.000 0.746 145 E HN 0.524 nan 8.360 nan 0.000 0.450 146 D N 0.255 120.559 120.400 -0.160 0.000 2.190 146 D HA -0.199 4.441 4.640 0.000 0.000 0.200 146 D C 1.900 178.098 176.300 -0.170 0.000 0.992 146 D CA 1.474 55.431 54.000 -0.072 0.000 0.854 146 D CB -0.185 40.648 40.800 0.055 0.000 0.936 146 D HN 0.307 nan 8.370 nan 0.000 0.462 147 E N 0.293 120.413 120.200 -0.134 0.000 2.170 147 E HA -0.060 4.291 4.350 0.000 0.000 0.191 147 E C 1.922 178.430 176.600 -0.152 0.000 0.981 147 E CA 0.161 56.494 56.400 -0.112 0.000 0.830 147 E CB -0.365 29.297 29.700 -0.063 0.000 0.775 147 E HN 0.136 nan 8.360 nan 0.000 0.470 148 L N 0.222 121.340 121.223 -0.174 0.000 1.976 148 L HA -0.075 4.265 4.340 0.000 0.000 0.209 148 L C 2.188 178.898 176.870 -0.267 0.000 1.071 148 L CA 1.716 56.452 54.840 -0.172 0.000 0.746 148 L CB -0.698 41.281 42.059 -0.133 0.000 0.890 148 L HN 0.276 nan 8.230 nan 0.000 0.432 149 L N -0.559 120.394 121.223 -0.451 0.000 2.079 149 L HA -0.212 4.129 4.340 0.000 0.000 0.210 149 L C 2.819 179.305 176.870 -0.639 0.000 1.081 149 L CA 1.640 56.067 54.840 -0.688 0.000 0.752 149 L CB -0.609 40.719 42.059 -1.217 0.000 0.896 149 L HN 0.302 nan 8.230 nan 0.000 0.433 150 R N -0.897 119.293 120.500 -0.515 0.000 2.066 150 R HA -0.170 4.170 4.340 0.000 0.000 0.232 150 R C 2.515 178.785 176.300 -0.050 0.000 1.131 150 R CA 1.769 57.752 56.100 -0.195 0.000 0.955 150 R CB -0.339 29.922 30.300 -0.064 0.000 0.851 150 R HN 0.294 nan 8.270 nan 0.000 0.432 151 S N -0.161 115.489 115.700 -0.083 0.000 2.368 151 S HA -0.107 4.363 4.470 0.000 0.000 0.225 151 S C 1.953 176.556 174.600 0.005 0.000 1.030 151 S CA 1.289 59.480 58.200 -0.015 0.000 0.999 151 S CB -0.159 63.016 63.200 -0.042 0.000 0.844 151 S HN 0.524 nan 8.310 nan 0.000 0.459 152 A N 1.129 123.900 122.820 -0.083 0.000 1.873 152 A HA 0.114 4.434 4.320 0.000 0.000 0.215 152 A C 2.194 179.734 177.584 -0.074 0.000 1.186 152 A CA 1.273 53.253 52.037 -0.096 0.000 0.616 152 A CB -0.774 18.121 19.000 -0.175 0.000 0.823 152 A HN 0.553 nan 8.150 nan 0.000 0.442 153 L N -1.445 119.717 121.223 -0.101 0.000 2.141 153 L HA -0.171 4.169 4.340 0.000 0.000 0.209 153 L C 2.571 179.420 176.870 -0.035 0.000 1.094 153 L CA 1.555 56.348 54.840 -0.079 0.000 0.763 153 L CB -0.605 41.428 42.059 -0.043 0.000 0.908 153 L HN 0.660 nan 8.230 nan 0.000 0.437 154 H N 0.705 119.788 119.070 0.022 0.000 2.319 154 H HA -0.205 4.351 4.556 0.000 0.000 0.297 154 H C 2.210 177.553 175.328 0.024 0.000 1.097 154 H CA 1.956 58.043 56.048 0.065 0.000 1.285 154 H CB 0.128 29.938 29.762 0.079 0.000 1.368 154 H HN 0.127 nan 8.280 nan 0.000 0.495 155 K N -0.976 119.384 120.400 -0.068 0.000 2.057 155 K HA -0.107 4.213 4.320 0.000 0.000 0.206 155 K C 2.087 178.638 176.600 -0.081 0.000 1.050 155 K CA 1.216 57.439 56.287 -0.107 0.000 0.935 155 K CB -0.273 32.224 32.500 -0.006 0.000 0.715 155 K HN 0.207 nan 8.250 nan 0.000 0.439 156 F N 1.898 121.729 119.950 -0.199 0.000 2.134 156 F HA -0.204 4.323 4.527 0.000 0.000 0.299 156 F C 2.314 178.052 175.800 -0.103 0.000 1.097 156 F CA 1.874 59.766 58.000 -0.180 0.000 1.264 156 F CB -0.423 38.445 39.000 -0.221 0.000 1.001 156 F HN 0.044 nan 8.300 nan 0.000 0.479 157 T N -2.961 111.486 114.554 -0.179 0.000 3.081 157 T HA 0.048 4.398 4.350 0.000 0.000 0.250 157 T C 1.097 175.670 174.700 -0.211 0.000 1.100 157 T CA 0.207 62.122 62.100 -0.307 0.000 1.038 157 T CB -0.616 67.798 68.868 -0.756 0.000 0.962 157 T HN 0.088 nan 8.240 nan 0.000 0.516 158 N N 2.560 121.118 118.700 -0.237 0.000 3.243 158 N HA 0.103 4.843 4.740 0.000 0.000 0.310 158 N C 1.265 176.691 175.510 -0.139 0.000 1.313 158 N CA -0.136 52.788 53.050 -0.211 0.000 1.204 158 N CB 0.110 38.346 38.487 -0.419 0.000 1.483 158 N HN 0.463 nan 8.380 nan 0.000 0.553 159 V N -1.952 117.881 119.914 -0.134 0.000 3.461 159 V HA 0.097 4.217 4.120 0.000 0.000 0.267 159 V C 0.595 176.675 176.094 -0.023 0.000 1.186 159 V CA 1.282 63.514 62.300 -0.113 0.000 1.154 159 V CB -0.237 31.394 31.823 -0.321 0.000 0.802 159 V HN 0.343 nan 8.190 nan 0.000 0.474 160 D N -1.413 118.977 120.400 -0.016 0.000 2.539 160 D HA 0.304 4.944 4.640 0.000 0.000 0.232 160 D C 1.484 177.802 176.300 0.031 0.000 1.256 160 D CA 0.464 54.486 54.000 0.038 0.000 0.810 160 D CB 0.390 41.225 40.800 0.058 0.000 1.090 160 D HN 0.734 nan 8.370 nan 0.000 0.519 161 G N 0.716 109.526 108.800 0.017 0.000 2.217 161 G HA2 -0.296 3.664 3.960 0.000 0.000 0.246 161 G HA3 -0.296 3.664 3.960 0.000 0.000 0.246 161 G C 0.879 175.807 174.900 0.048 0.000 0.990 161 G CA 0.782 45.901 45.100 0.032 0.000 0.627 161 G HN 0.893 nan 8.290 nan 0.000 0.522 162 T N -2.512 112.065 114.554 0.037 0.000 3.399 162 T HA 0.391 4.742 4.350 0.000 0.000 0.305 162 T C 0.623 175.365 174.700 0.071 0.000 0.983 162 T CA 0.657 62.778 62.100 0.034 0.000 0.967 162 T CB -0.153 68.696 68.868 -0.031 0.000 1.186 162 T HN 0.751 nan 8.240 nan 0.000 0.504 163 N N 1.490 120.261 118.700 0.118 0.000 2.735 163 N HA -0.211 4.529 4.740 0.000 0.000 0.248 163 N C 1.138 176.865 175.510 0.363 0.000 1.083 163 N CA 1.266 54.464 53.050 0.247 0.000 0.703 163 N CB -1.641 37.146 38.487 0.499 0.000 1.005 163 N HN 1.211 nan 8.380 nan 0.000 0.550 164 G N -0.747 108.159 108.800 0.176 0.000 2.176 164 G HA2 -0.353 3.607 3.960 0.000 0.000 0.232 164 G HA3 -0.353 3.607 3.960 0.000 0.000 0.232 164 G C 0.947 175.940 174.900 0.154 0.000 0.986 164 G CA 0.507 45.744 45.100 0.230 0.000 0.643 164 G HN 0.500 nan 8.290 nan 0.000 0.522 165 R N -0.057 120.363 120.500 -0.134 0.000 2.148 165 R HA 0.054 4.394 4.340 0.000 0.000 0.223 165 R C 2.460 178.651 176.300 -0.182 0.000 1.088 165 R CA 1.687 57.525 56.100 -0.436 0.000 0.985 165 R CB -0.215 29.741 30.300 -0.574 0.000 0.880 165 R HN 0.445 nan 8.270 nan 0.000 0.451 166 T N 0.125 114.647 114.554 -0.054 0.000 2.939 166 T HA -0.041 4.309 4.350 0.000 0.000 0.254 166 T C 1.944 176.701 174.700 0.094 0.000 1.041 166 T CA 1.187 63.295 62.100 0.013 0.000 1.142 166 T CB 0.094 68.981 68.868 0.033 0.000 0.874 166 T HN 0.157 nan 8.240 nan 0.000 0.452 167 V N -0.861 119.139 119.914 0.145 0.000 2.788 167 V HA 0.317 4.437 4.120 0.000 0.000 0.251 167 V C 1.041 177.265 176.094 0.216 0.000 1.068 167 V CA 0.580 63.035 62.300 0.259 0.000 1.090 167 V CB -0.463 31.606 31.823 0.409 0.000 0.710 167 V HN 0.273 nan 8.190 nan 0.000 0.467 168 L N 2.454 123.741 121.223 0.108 0.000 2.732 168 L HA 0.543 4.883 4.340 0.000 0.000 0.246 168 L C -1.559 175.305 176.870 -0.010 0.000 1.407 168 L CA -1.558 53.256 54.840 -0.043 0.000 0.861 168 L CB 1.200 43.150 42.059 -0.182 0.000 1.161 168 L HN 0.014 nan 8.230 nan 0.000 0.510 169 P HA -0.039 nan 4.420 nan 0.000 0.225 169 P C -0.067 176.865 177.300 -0.614 0.000 1.156 169 P CA 0.924 63.802 63.100 -0.370 0.000 0.787 169 P CB 0.088 31.487 31.700 -0.502 0.000 0.802 170 F N 1.055 120.910 119.950 -0.160 0.000 2.564 170 F HA 0.369 4.896 4.527 0.000 0.000 0.368 170 F C -1.548 174.166 175.800 -0.143 0.000 1.127 170 F CA -2.564 55.332 58.000 -0.174 0.000 1.170 170 F CB 1.176 39.984 39.000 -0.320 0.000 1.397 170 F HN -0.175 nan 8.300 nan 0.000 0.493 171 P HA -0.175 nan 4.420 nan 0.000 0.223 171 P C 0.953 178.169 177.300 -0.139 0.000 1.144 171 P CA 1.565 64.515 63.100 -0.250 0.000 0.783 171 P CB 0.049 31.374 31.700 -0.625 0.000 0.771 172 H N -1.156 117.902 119.070 -0.020 0.000 2.524 172 H HA 0.022 4.579 4.556 0.000 0.000 0.282 172 H C 0.442 175.776 175.328 0.009 0.000 1.016 172 H CA 1.088 57.146 56.048 0.017 0.000 1.270 172 H CB -0.198 29.569 29.762 0.007 0.000 1.394 172 H HN 0.107 nan 8.280 nan 0.000 0.568 173 D N 0.130 120.594 120.400 0.108 0.000 2.404 173 D HA 0.042 4.682 4.640 0.000 0.000 0.267 173 D C 1.222 177.546 176.300 0.039 0.000 1.194 173 D CA -0.388 53.658 54.000 0.077 0.000 0.910 173 D CB 0.133 41.004 40.800 0.117 0.000 1.090 173 D HN 0.244 nan 8.370 nan 0.000 0.511 174 M N 0.013 119.533 119.600 -0.134 0.000 2.267 174 M HA -0.019 4.461 4.480 0.000 0.000 0.263 174 M C 0.109 176.389 176.300 -0.034 0.000 1.063 174 M CA 1.394 56.534 55.300 -0.267 0.000 1.090 174 M CB -0.343 32.052 32.600 -0.341 0.000 1.392 174 M HN 0.052 nan 8.290 nan 0.000 0.422 175 F N -0.817 119.251 119.950 0.198 0.000 2.660 175 F HA 0.207 4.734 4.527 0.000 0.000 0.302 175 F C 1.731 177.658 175.800 0.212 0.000 1.103 175 F CA -0.982 57.145 58.000 0.212 0.000 1.340 175 F CB -1.253 37.838 39.000 0.152 0.000 1.048 175 F HN 0.126 nan 8.300 nan 0.000 0.551 176 Y N 0.288 120.743 120.300 0.258 0.000 2.165 176 Y HA -0.088 4.462 4.550 0.000 0.000 0.286 176 Y C 0.731 176.759 175.900 0.214 0.000 1.155 176 Y CA 1.128 59.358 58.100 0.217 0.000 1.164 176 Y CB 0.152 38.763 38.460 0.252 0.000 0.978 176 Y HN -0.243 nan 8.280 nan 0.000 0.513 177 V N 2.501 122.641 119.914 0.377 0.000 2.328 177 V HA 0.163 4.283 4.120 0.000 0.000 0.278 177 V C -1.610 174.668 176.094 0.307 0.000 1.021 177 V CA -1.421 61.044 62.300 0.275 0.000 0.838 177 V CB 1.273 33.276 31.823 0.300 0.000 0.999 177 V HN 0.072 nan 8.190 nan 0.000 0.447 178 P HA -0.171 nan 4.420 nan 0.000 0.218 178 P C 1.459 178.886 177.300 0.211 0.000 1.148 178 P CA 0.929 64.139 63.100 0.183 0.000 0.822 178 P CB 0.391 32.129 31.700 0.065 0.000 0.784 179 E N -1.322 118.998 120.200 0.199 0.000 2.333 179 E HA -0.199 4.151 4.350 0.000 0.000 0.198 179 E C 1.598 178.337 176.600 0.232 0.000 1.007 179 E CA 0.312 56.812 56.400 0.167 0.000 0.845 179 E CB -0.567 29.231 29.700 0.164 0.000 0.766 179 E HN 0.142 nan 8.360 nan 0.000 0.507 180 F N 1.727 121.825 119.950 0.248 0.000 2.202 180 F HA -0.164 4.363 4.527 0.000 0.000 0.301 180 F C 2.299 178.255 175.800 0.260 0.000 1.082 180 F CA 1.559 59.754 58.000 0.326 0.000 1.313 180 F CB -0.162 39.017 39.000 0.297 0.000 1.024 180 F HN -0.089 nan 8.300 nan 0.000 0.495 181 R N 0.882 121.495 120.500 0.188 0.000 2.119 181 R HA -0.276 4.064 4.340 0.000 0.000 0.246 181 R C 2.456 178.680 176.300 -0.127 0.000 1.146 181 R CA 2.081 58.238 56.100 0.095 0.000 0.962 181 R CB -0.482 29.930 30.300 0.187 0.000 0.863 181 R HN 0.316 nan 8.270 nan 0.000 0.442 182 K N -0.548 119.727 120.400 -0.210 0.000 2.077 182 K HA -0.253 4.067 4.320 0.000 0.000 0.213 182 K C 1.919 178.275 176.600 -0.408 0.000 1.051 182 K CA 2.294 58.366 56.287 -0.358 0.000 0.929 182 K CB -0.260 31.913 32.500 -0.545 0.000 0.715 182 K HN 0.250 nan 8.250 nan 0.000 0.451 183 Y N 0.382 120.581 120.300 -0.169 0.000 2.286 183 Y HA -0.118 4.432 4.550 0.000 0.000 0.293 183 Y C 2.120 177.907 175.900 -0.190 0.000 1.124 183 Y CA 1.323 59.354 58.100 -0.114 0.000 1.178 183 Y CB -0.684 37.662 38.460 -0.190 0.000 1.010 183 Y HN 0.290 nan 8.280 nan 0.000 0.536 184 D N 0.435 120.630 120.400 -0.342 0.000 2.149 184 D HA -0.193 4.447 4.640 0.000 0.000 0.198 184 D C 1.398 177.688 176.300 -0.017 0.000 0.990 184 D CA 1.505 55.404 54.000 -0.168 0.000 0.839 184 D CB -0.023 40.694 40.800 -0.137 0.000 0.948 184 D HN 0.422 nan 8.370 nan 0.000 0.460 185 E N -0.948 119.235 120.200 -0.029 0.000 2.481 185 E HA 0.042 4.392 4.350 0.000 0.000 0.195 185 E C 0.407 177.024 176.600 0.029 0.000 1.047 185 E CA -0.203 56.198 56.400 0.001 0.000 0.867 185 E CB 0.158 29.845 29.700 -0.022 0.000 0.858 185 E HN 0.378 nan 8.360 nan 0.000 0.513 186 M N 1.231 120.879 119.600 0.080 0.000 2.277 186 M HA 0.131 4.611 4.480 0.000 0.000 0.350 186 M C 0.032 176.442 176.300 0.183 0.000 1.180 186 M CA -0.381 54.991 55.300 0.119 0.000 1.103 186 M CB 1.024 33.730 32.600 0.177 0.000 1.577 186 M HN -0.084 nan 8.290 nan 0.000 0.459 187 S N 3.239 119.018 115.700 0.132 0.000 2.652 187 S HA 0.234 4.704 4.470 0.000 0.000 0.270 187 S C 0.789 175.553 174.600 0.273 0.000 1.243 187 S CA -0.653 57.647 58.200 0.166 0.000 0.999 187 S CB 0.546 63.798 63.200 0.087 0.000 0.973 187 S HN 0.718 nan 8.310 nan 0.000 0.544 188 Y N 1.782 122.189 120.300 0.177 0.000 2.114 188 Y HA -0.173 4.377 4.550 0.000 0.000 0.282 188 Y C 3.217 179.169 175.900 0.085 0.000 1.165 188 Y CA 1.425 59.644 58.100 0.198 0.000 1.148 188 Y CB -1.512 37.032 38.460 0.140 0.000 0.972 188 Y HN 0.924 nan 8.280 nan 0.000 0.504 189 S N -0.517 115.314 115.700 0.219 0.000 2.402 189 S HA -0.162 4.308 4.470 0.000 0.000 0.229 189 S C 1.707 176.333 174.600 0.044 0.000 1.021 189 S CA 1.247 59.512 58.200 0.108 0.000 0.974 189 S CB -0.473 62.778 63.200 0.084 0.000 0.800 189 S HN 0.566 nan 8.310 nan 0.000 0.484 190 E N 0.846 121.060 120.200 0.024 0.000 2.150 190 E HA -0.101 4.249 4.350 0.000 0.000 0.193 190 E C 2.262 178.802 176.600 -0.100 0.000 0.985 190 E CA 0.994 57.377 56.400 -0.028 0.000 0.814 190 E CB -0.100 29.585 29.700 -0.024 0.000 0.752 190 E HN 0.441 nan 8.360 nan 0.000 0.466 191 R N 1.291 121.681 120.500 -0.182 0.000 2.075 191 R HA -0.017 4.323 4.340 0.000 0.000 0.226 191 R C 1.973 178.168 176.300 -0.175 0.000 1.114 191 R CA 1.038 56.903 56.100 -0.393 0.000 0.972 191 R CB -0.461 29.186 30.300 -1.089 0.000 0.869 191 R HN 0.110 nan 8.270 nan 0.000 0.437 192 I N 1.021 121.580 120.570 -0.017 0.000 2.264 192 I HA -0.293 3.877 4.170 0.000 0.000 0.248 192 I C 1.467 177.576 176.117 -0.013 0.000 1.111 192 I CA 1.597 62.910 61.300 0.022 0.000 1.382 192 I CB -0.393 37.627 38.000 0.033 0.000 1.060 192 I HN 0.228 nan 8.210 nan 0.000 0.418 193 D N 0.531 120.919 120.400 -0.020 0.000 2.144 193 D HA -0.196 4.444 4.640 0.000 0.000 0.199 193 D C 2.202 178.482 176.300 -0.033 0.000 0.984 193 D CA 1.207 55.195 54.000 -0.021 0.000 0.834 193 D CB -0.189 40.601 40.800 -0.016 0.000 0.955 193 D HN 0.485 nan 8.370 nan 0.000 0.465 194 Q N -0.229 119.536 119.800 -0.057 0.000 2.291 194 Q HA -0.044 4.296 4.340 0.000 0.000 0.205 194 Q C 2.057 178.028 176.000 -0.049 0.000 0.970 194 Q CA 0.714 56.482 55.803 -0.059 0.000 0.876 194 Q CB 0.178 28.863 28.738 -0.088 0.000 0.935 194 Q HN 0.509 nan 8.270 nan 0.000 0.455 195 I N -4.272 116.272 120.570 -0.044 0.000 4.240 195 I HA 0.192 4.362 4.170 0.000 0.000 0.331 195 I C 1.916 178.023 176.117 -0.016 0.000 1.381 195 I CA -0.370 60.912 61.300 -0.030 0.000 1.136 195 I CB 0.077 38.058 38.000 -0.031 0.000 1.137 195 I HN -0.122 nan 8.210 nan 0.000 0.411 196 R N 2.088 122.580 120.500 -0.014 0.000 2.140 196 R HA -0.239 4.101 4.340 0.000 0.000 0.250 196 R C 1.254 177.550 176.300 -0.007 0.000 1.150 196 R CA 2.730 58.825 56.100 -0.008 0.000 0.966 196 R CB -0.344 29.953 30.300 -0.006 0.000 0.869 196 R HN 0.390 nan 8.270 nan 0.000 0.445 197 D N 0.081 120.477 120.400 -0.008 0.000 2.310 197 D HA -0.096 4.544 4.640 0.000 0.000 0.212 197 D C 1.123 177.420 176.300 -0.005 0.000 0.965 197 D CA 0.830 54.826 54.000 -0.006 0.000 0.879 197 D CB 0.024 40.821 40.800 -0.006 0.000 0.921 197 D HN 0.339 nan 8.370 nan 0.000 0.510 198 E N -0.200 119.997 120.200 -0.005 0.000 2.474 198 E HA 0.138 4.488 4.350 0.000 0.000 0.195 198 E C 0.205 176.803 176.600 -0.003 0.000 1.039 198 E CA -0.042 56.356 56.400 -0.002 0.000 0.881 198 E CB 0.806 30.506 29.700 -0.000 0.000 0.970 198 E HN 0.295 nan 8.360 nan 0.000 0.486 199 L N 1.464 122.682 121.223 -0.007 0.000 2.322 199 L HA 0.222 4.562 4.340 0.000 0.000 0.281 199 L C 0.661 177.525 176.870 -0.010 0.000 1.014 199 L CA -0.694 54.139 54.840 -0.013 0.000 0.815 199 L CB 1.717 43.763 42.059 -0.021 0.000 1.247 199 L HN -0.085 nan 8.230 nan 0.000 0.421 200 S N 1.941 117.634 115.700 -0.012 0.000 2.608 200 S HA 0.116 4.586 4.470 0.000 0.000 0.261 200 S C 0.925 175.522 174.600 -0.005 0.000 1.314 200 S CA -0.617 57.578 58.200 -0.008 0.000 0.992 200 S CB 1.008 64.202 63.200 -0.009 0.000 0.935 200 S HN 0.595 nan 8.310 nan 0.000 0.564 201 L N 1.308 122.532 121.223 0.002 0.000 2.079 201 L HA -0.108 4.232 4.340 0.000 0.000 0.210 201 L C 1.882 178.763 176.870 0.019 0.000 1.081 201 L CA 1.963 56.812 54.840 0.015 0.000 0.752 201 L CB -1.299 40.768 42.059 0.014 0.000 0.896 201 L HN 0.719 nan 8.230 nan 0.000 0.433 202 N N -0.200 118.505 118.700 0.008 0.000 2.188 202 N HA -0.145 4.595 4.740 0.000 0.000 0.184 202 N C 1.741 177.249 175.510 -0.002 0.000 1.018 202 N CA 1.423 54.480 53.050 0.012 0.000 0.858 202 N CB -0.134 38.358 38.487 0.008 0.000 0.989 202 N HN 0.550 nan 8.380 nan 0.000 0.426 203 E N 0.518 120.703 120.200 -0.025 0.000 2.028 203 E HA -0.102 4.248 4.350 0.000 0.000 0.191 203 E C 2.043 178.595 176.600 -0.079 0.000 0.988 203 E CA 0.634 56.999 56.400 -0.059 0.000 0.799 203 E CB -0.011 29.657 29.700 -0.054 0.000 0.755 203 E HN 0.238 nan 8.360 nan 0.000 0.447 204 R N 0.587 121.056 120.500 -0.052 0.000 2.096 204 R HA -0.109 4.231 4.340 0.000 0.000 0.235 204 R C 2.295 178.552 176.300 -0.071 0.000 1.127 204 R CA 1.607 57.669 56.100 -0.065 0.000 0.968 204 R CB 0.005 30.295 30.300 -0.016 0.000 0.861 204 R HN 0.011 nan 8.270 nan 0.000 0.440 205 S N -0.076 115.625 115.700 0.000 0.000 2.368 205 S HA -0.067 4.404 4.470 0.000 0.000 0.224 205 S C 1.945 176.474 174.600 -0.118 0.000 1.029 205 S CA 1.285 59.516 58.200 0.051 0.000 0.988 205 S CB -0.056 63.252 63.200 0.181 0.000 0.838 205 S HN 0.322 nan 8.310 nan 0.000 0.462 206 S N 1.720 117.387 115.700 -0.056 0.000 2.359 206 S HA -0.089 4.381 4.470 0.000 0.000 0.224 206 S C 1.861 176.374 174.600 -0.144 0.000 1.035 206 S CA 1.224 59.392 58.200 -0.053 0.000 1.018 206 S CB -0.519 62.645 63.200 -0.061 0.000 0.876 206 S HN 0.374 nan 8.310 nan 0.000 0.448 207 L N 1.851 122.938 121.223 -0.228 0.000 2.012 207 L HA -0.105 4.235 4.340 0.000 0.000 0.210 207 L C 2.063 178.665 176.870 -0.447 0.000 1.073 207 L CA 1.888 56.521 54.840 -0.346 0.000 0.748 207 L CB -0.688 41.134 42.059 -0.395 0.000 0.891 207 L HN 0.271 nan 8.230 nan 0.000 0.431 208 E N -0.514 119.407 120.200 -0.465 0.000 2.072 208 E HA -0.172 4.178 4.350 0.000 0.000 0.191 208 E C 2.190 178.416 176.600 -0.624 0.000 0.985 208 E CA 1.028 57.098 56.400 -0.549 0.000 0.801 208 E CB -0.323 29.112 29.700 -0.442 0.000 0.750 208 E HN 0.662 nan 8.360 nan 0.000 0.452 209 A N 1.050 123.431 122.820 -0.731 0.000 1.908 209 A HA -0.212 4.108 4.320 0.000 0.000 0.218 209 A C 1.982 179.490 177.584 -0.127 0.000 1.181 209 A CA 1.214 53.000 52.037 -0.418 0.000 0.627 209 A CB -0.757 18.140 19.000 -0.172 0.000 0.818 209 A HN 0.315 nan 8.150 nan 0.000 0.445 210 F N 1.482 121.302 119.950 -0.216 0.000 2.051 210 F HA -0.189 4.338 4.527 0.000 0.000 0.296 210 F C 2.164 177.782 175.800 -0.303 0.000 1.122 210 F CA 2.029 59.916 58.000 -0.189 0.000 1.201 210 F CB -0.317 38.615 39.000 -0.114 0.000 0.978 210 F HN 0.359 nan 8.300 nan 0.000 0.472 211 I N -1.235 119.032 120.570 -0.505 0.000 2.361 211 I HA -0.223 3.947 4.170 0.000 0.000 0.251 211 I C 1.896 177.776 176.117 -0.396 0.000 1.133 211 I CA 1.550 62.396 61.300 -0.755 0.000 1.413 211 I CB -0.844 36.291 38.000 -1.442 0.000 1.073 211 I HN 0.224 nan 8.210 nan 0.000 0.424 212 L N 0.392 121.451 121.223 -0.273 0.000 2.156 212 L HA -0.100 4.240 4.340 0.000 0.000 0.208 212 L C 2.597 179.373 176.870 -0.156 0.000 1.095 212 L CA 0.646 55.413 54.840 -0.122 0.000 0.770 212 L CB -0.527 41.507 42.059 -0.041 0.000 0.914 212 L HN 0.331 nan 8.230 nan 0.000 0.439 213 L N -0.274 120.802 121.223 -0.245 0.000 2.042 213 L HA -0.239 4.102 4.340 0.000 0.000 0.210 213 L C 2.451 179.183 176.870 -0.231 0.000 1.076 213 L CA 1.883 56.554 54.840 -0.283 0.000 0.749 213 L CB -0.622 41.075 42.059 -0.602 0.000 0.893 213 L HN 0.238 nan 8.230 nan 0.000 0.432 214 C N -0.711 118.341 119.300 -0.413 0.000 2.440 214 C HA -0.064 4.396 4.460 0.000 0.000 0.278 214 C C 3.111 177.843 174.990 -0.430 0.000 1.295 214 C CA 0.975 59.718 59.018 -0.458 0.000 1.738 214 C CB -1.259 26.114 27.740 -0.611 0.000 1.987 214 C HN 0.820 nan 8.230 nan 0.000 0.492 215 S N -0.044 115.242 115.700 -0.690 0.000 2.439 215 S HA 0.237 4.708 4.470 0.000 0.000 0.224 215 S C 1.785 176.151 174.600 -0.390 0.000 1.029 215 S CA 1.365 58.878 58.200 -1.145 0.000 0.946 215 S CB -0.547 61.878 63.200 -1.292 0.000 0.797 215 S HN 1.043 nan 8.310 nan 0.000 0.504 216 G N 0.774 109.471 108.800 -0.171 0.000 2.186 216 G HA2 -0.184 3.776 3.960 0.000 0.000 0.266 216 G HA3 -0.184 3.776 3.960 0.000 0.000 0.266 216 G C 0.589 175.398 174.900 -0.151 0.000 0.982 216 G CA 0.627 45.624 45.100 -0.172 0.000 0.670 216 G HN 1.086 nan 8.290 nan 0.000 0.533 217 G N -1.095 107.598 108.800 -0.179 0.000 3.271 217 G HA2 0.784 4.744 3.960 0.000 0.000 0.174 217 G HA3 0.784 4.744 3.960 0.000 0.000 0.174 217 G C 0.353 175.205 174.900 -0.079 0.000 1.385 217 G CA 1.050 46.069 45.100 -0.134 0.000 0.979 217 G HN 1.416 nan 8.290 nan 0.000 0.610 218 T N -2.285 112.221 114.554 -0.079 0.000 2.907 218 T HA 0.490 4.840 4.350 0.000 0.000 0.290 218 T C 1.258 175.951 174.700 -0.011 0.000 1.066 218 T CA -0.706 61.383 62.100 -0.018 0.000 1.012 218 T CB 1.518 70.380 68.868 -0.011 0.000 1.184 218 T HN 0.116 nan 8.240 nan 0.000 0.522 219 L N 0.037 121.304 121.223 0.074 0.000 2.131 219 L HA -0.018 4.322 4.340 0.000 0.000 0.210 219 L C 2.512 179.433 176.870 0.085 0.000 1.092 219 L CA 1.416 56.345 54.840 0.148 0.000 0.759 219 L CB -0.499 41.648 42.059 0.147 0.000 0.903 219 L HN 0.712 nan 8.230 nan 0.000 0.435 220 E N -0.054 120.167 120.200 0.034 0.000 2.230 220 E HA -0.110 4.240 4.350 0.000 0.000 0.192 220 E C 1.466 178.058 176.600 -0.013 0.000 0.987 220 E CA 0.748 57.158 56.400 0.017 0.000 0.841 220 E CB -0.094 29.613 29.700 0.013 0.000 0.783 220 E HN 0.532 nan 8.360 nan 0.000 0.481 221 N N -0.790 117.882 118.700 -0.047 0.000 2.236 221 N HA 0.044 4.785 4.740 0.000 0.000 0.196 221 N C -0.444 175.008 175.510 -0.097 0.000 1.114 221 N CA -0.053 52.962 53.050 -0.059 0.000 0.859 221 N CB 0.453 38.907 38.487 -0.055 0.000 0.982 221 N HN -0.220 nan 8.380 nan 0.000 0.493 222 S N 0.218 115.790 115.700 -0.213 0.000 2.457 222 S HA 0.241 4.711 4.470 0.000 0.000 0.289 222 S C -0.308 174.138 174.600 -0.258 0.000 1.163 222 S CA -0.768 57.203 58.200 -0.382 0.000 1.078 222 S CB 1.174 63.693 63.200 -1.135 0.000 0.987 222 S HN 0.318 nan 8.310 nan 0.000 0.482 223 S N 2.896 118.616 115.700 0.033 0.000 2.488 223 S HA 0.120 4.590 4.470 0.000 0.000 0.278 223 S C 0.897 175.724 174.600 0.377 0.000 1.259 223 S CA -0.571 57.715 58.200 0.143 0.000 1.061 223 S CB -0.262 62.966 63.200 0.045 0.000 0.910 223 S HN 0.619 nan 8.310 nan 0.000 0.491 224 F N 5.808 125.940 119.950 0.302 0.000 2.102 224 F HA 0.097 4.624 4.527 0.000 0.000 0.298 224 F C 2.095 178.101 175.800 0.344 0.000 1.105 224 F CA 2.013 60.271 58.000 0.429 0.000 1.239 224 F CB -1.055 38.081 39.000 0.227 0.000 0.991 224 F HN 0.698 nan 8.300 nan 0.000 0.474 225 G N -0.406 108.419 108.800 0.042 0.000 2.469 225 G HA2 -0.384 3.576 3.960 0.000 0.000 0.219 225 G HA3 -0.384 3.576 3.960 0.000 0.000 0.219 225 G C 1.506 176.510 174.900 0.174 0.000 1.150 225 G CA 1.147 46.209 45.100 -0.063 0.000 0.763 225 G HN 0.436 nan 8.290 nan 0.000 0.561 226 E N -0.330 119.935 120.200 0.107 0.000 2.153 226 E HA -0.083 4.267 4.350 0.000 0.000 0.194 226 E C 1.946 178.621 176.600 0.125 0.000 0.988 226 E CA 0.620 57.009 56.400 -0.018 0.000 0.811 226 E CB -0.409 28.940 29.700 -0.585 0.000 0.746 226 E HN 0.401 nan 8.360 nan 0.000 0.466 227 F N 0.484 120.576 119.950 0.236 0.000 2.113 227 F HA -0.074 4.453 4.527 0.000 0.000 0.297 227 F C 1.740 177.677 175.800 0.228 0.000 1.103 227 F CA 1.253 59.423 58.000 0.282 0.000 1.248 227 F CB -0.186 39.071 39.000 0.428 0.000 0.999 227 F HN 0.021 nan 8.300 nan 0.000 0.475 228 L N -0.381 120.866 121.223 0.040 0.000 2.187 228 L HA -0.290 4.050 4.340 0.000 0.000 0.213 228 L C 2.652 179.562 176.870 0.068 0.000 1.100 228 L CA 1.603 56.431 54.840 -0.021 0.000 0.765 228 L CB -1.035 40.980 42.059 -0.073 0.000 0.904 228 L HN 0.365 nan 8.230 nan 0.000 0.437 229 H N -0.672 118.431 119.070 0.054 0.000 2.299 229 H HA -0.214 4.342 4.556 0.000 0.000 0.302 229 H C 2.060 177.360 175.328 -0.048 0.000 1.078 229 H CA 2.197 58.238 56.048 -0.011 0.000 1.323 229 H CB 0.001 29.812 29.762 0.083 0.000 1.381 229 H HN 0.275 nan 8.280 nan 0.000 0.498 230 W N 0.927 122.114 121.300 -0.189 0.000 2.335 230 W HA -0.215 4.445 4.660 0.000 0.000 0.311 230 W C 2.770 179.053 176.519 -0.394 0.000 1.213 230 W CA 0.799 57.992 57.345 -0.253 0.000 1.274 230 W CB -1.385 28.061 29.460 -0.022 0.000 1.148 230 W HN 0.410 nan 8.180 nan 0.000 0.498 231 W N 0.995 122.071 121.300 -0.373 0.000 2.332 231 W HA -0.282 4.378 4.660 0.000 0.000 0.321 231 W C 2.108 178.287 176.519 -0.567 0.000 1.219 231 W CA 2.957 60.061 57.345 -0.402 0.000 1.277 231 W CB -0.938 28.293 29.460 -0.383 0.000 1.161 231 W HN -0.090 nan 8.180 nan 0.000 0.476 232 A N 0.728 123.152 122.820 -0.661 0.000 1.877 232 A HA -0.255 4.065 4.320 0.000 0.000 0.216 232 A C 1.961 178.835 177.584 -1.183 0.000 1.186 232 A CA 2.233 53.392 52.037 -1.462 0.000 0.620 232 A CB -1.072 17.313 19.000 -1.025 0.000 0.822 232 A HN 0.295 nan 8.150 nan 0.000 0.443 233 M N 0.343 119.326 119.600 -1.027 0.000 2.144 233 M HA -0.107 4.373 4.480 0.000 0.000 0.260 233 M C 2.064 177.877 176.300 -0.812 0.000 1.067 233 M CA 1.697 56.276 55.300 -1.202 0.000 1.095 233 M CB -1.607 29.767 32.600 -2.043 0.000 1.365 233 M HN 0.390 nan 8.290 nan 0.000 0.406 234 S N -0.776 114.559 115.700 -0.608 0.000 2.522 234 S HA 0.216 4.686 4.470 0.000 0.000 0.227 234 S C 1.419 175.793 174.600 -0.377 0.000 0.986 234 S CA 0.807 58.831 58.200 -0.292 0.000 0.929 234 S CB 0.058 63.105 63.200 -0.255 0.000 0.769 234 S HN 0.753 nan 8.310 nan 0.000 0.529 235 G N 0.390 108.871 108.800 -0.533 0.000 2.143 235 G HA2 -0.236 3.724 3.960 0.000 0.000 0.175 235 G HA3 -0.236 3.724 3.960 0.000 0.000 0.175 235 G C 0.168 174.874 174.900 -0.323 0.000 1.004 235 G CA -0.355 44.538 45.100 -0.344 0.000 0.671 235 G HN 0.396 nan 8.290 nan 0.000 0.512 236 Y N -1.099 118.732 120.300 -0.781 0.000 3.825 236 Y HA -0.258 4.292 4.550 0.000 0.000 0.221 236 Y C 1.222 176.353 175.900 -1.281 0.000 1.195 236 Y CA 2.035 59.424 58.100 -1.185 0.000 1.699 236 Y CB -2.391 35.849 38.460 -0.367 0.000 1.531 236 Y HN 1.282 nan 8.280 nan 0.000 0.640 237 T N -5.384 108.458 114.554 -1.186 0.000 2.903 237 T HA 0.455 4.805 4.350 0.000 0.000 0.299 237 T C 0.276 174.604 174.700 -0.621 0.000 1.093 237 T CA -0.434 61.229 62.100 -0.729 0.000 1.002 237 T CB 1.557 70.265 68.868 -0.266 0.000 1.127 237 T HN 0.065 nan 8.240 nan 0.000 0.488 238 Y N 1.588 121.768 120.300 -0.200 0.000 2.145 238 Y HA -0.116 4.434 4.550 0.000 0.000 0.286 238 Y C 2.641 178.462 175.900 -0.132 0.000 1.145 238 Y CA 2.290 60.378 58.100 -0.019 0.000 1.148 238 Y CB -0.446 38.032 38.460 0.029 0.000 0.981 238 Y HN 0.766 nan 8.280 nan 0.000 0.507 239 Q N 0.402 120.032 119.800 -0.284 0.000 2.096 239 Q HA -0.091 4.249 4.340 0.000 0.000 0.204 239 Q C 2.517 178.294 176.000 -0.371 0.000 0.982 239 Q CA 2.162 57.740 55.803 -0.376 0.000 0.850 239 Q CB -1.213 27.408 28.738 -0.195 0.000 0.901 239 Q HN 0.594 nan 8.270 nan 0.000 0.422 240 G N -0.424 108.182 108.800 -0.323 0.000 2.476 240 G HA2 -0.328 3.632 3.960 0.000 0.000 0.218 240 G HA3 -0.328 3.632 3.960 0.000 0.000 0.218 240 G C 1.655 176.345 174.900 -0.350 0.000 1.164 240 G CA 1.186 46.085 45.100 -0.335 0.000 0.768 240 G HN 0.509 nan 8.290 nan 0.000 0.560 241 C N 0.317 119.441 119.300 -0.294 0.000 2.432 241 C HA 0.005 4.465 4.460 0.000 0.000 0.277 241 C C 3.015 177.889 174.990 -0.194 0.000 1.249 241 C CA 1.069 60.017 59.018 -0.117 0.000 1.725 241 C CB -0.669 27.194 27.740 0.204 0.000 2.028 241 C HN 0.389 nan 8.230 nan 0.000 0.477 242 M N 0.823 120.202 119.600 -0.370 0.000 2.117 242 M HA -0.109 4.371 4.480 0.000 0.000 0.262 242 M C 1.665 177.713 176.300 -0.420 0.000 1.065 242 M CA 1.689 56.748 55.300 -0.401 0.000 1.114 242 M CB -1.644 30.599 32.600 -0.594 0.000 1.361 242 M HN 0.355 nan 8.290 nan 0.000 0.408 243 D N -0.163 119.953 120.400 -0.472 0.000 2.104 243 D HA -0.127 4.513 4.640 0.000 0.000 0.194 243 D C 2.172 178.070 176.300 -0.671 0.000 0.994 243 D CA 1.282 54.938 54.000 -0.573 0.000 0.830 243 D CB -0.314 40.116 40.800 -0.617 0.000 0.959 243 D HN 0.363 nan 8.370 nan 0.000 0.452 244 C N -0.165 118.750 119.300 -0.642 0.000 2.485 244 C HA 0.121 4.581 4.460 0.000 0.000 0.278 244 C C 2.651 177.400 174.990 -0.403 0.000 1.356 244 C CA 0.019 58.673 59.018 -0.606 0.000 1.747 244 C CB -0.734 26.698 27.740 -0.513 0.000 2.001 244 C HN 0.322 nan 8.230 nan 0.000 0.501 245 L N -1.085 119.969 121.223 -0.282 0.000 2.416 245 L HA 0.231 4.571 4.340 0.000 0.000 0.216 245 L C 1.816 178.501 176.870 -0.309 0.000 1.098 245 L CA 0.922 55.672 54.840 -0.151 0.000 0.840 245 L CB -0.139 41.904 42.059 -0.026 0.000 0.981 245 L HN 0.266 nan 8.230 nan 0.000 0.462 246 M N -1.934 117.284 119.600 -0.636 0.000 3.401 246 M HA 0.152 4.632 4.480 0.000 0.000 0.488 246 M C 0.450 175.939 176.300 -1.352 0.000 1.561 246 M CA 0.081 54.476 55.300 -1.509 0.000 0.745 246 M CB 0.698 32.671 32.600 -1.046 0.000 1.531 246 M HN -0.082 nan 8.290 nan 0.000 0.548 247 S N -0.418 114.788 115.700 -0.824 0.000 2.506 247 S HA 0.259 4.729 4.470 0.000 0.000 0.230 247 S C -0.559 173.734 174.600 -0.512 0.000 1.066 247 S CA 0.484 58.224 58.200 -0.768 0.000 0.940 247 S CB 0.437 62.884 63.200 -1.255 0.000 0.818 247 S HN 0.408 nan 8.310 nan 0.000 0.518 248 Y N 2.651 123.058 120.300 0.179 0.000 2.350 248 Y HA 0.586 5.136 4.550 0.000 0.000 0.338 248 Y C -0.054 175.922 175.900 0.126 0.000 0.961 248 Y CA -1.718 56.463 58.100 0.135 0.000 1.100 248 Y CB 1.037 39.496 38.460 -0.003 0.000 1.179 248 Y HN 0.074 nan 8.280 nan 0.000 0.454 249 K N 0.642 121.136 120.400 0.157 0.000 2.433 249 K HA 0.697 5.017 4.320 0.000 0.000 0.252 249 K C -1.559 174.941 176.600 -0.167 0.000 1.015 249 K CA -0.934 55.281 56.287 -0.120 0.000 0.860 249 K CB 1.554 33.958 32.500 -0.160 0.000 1.359 249 K HN 0.233 nan 8.250 nan 0.000 0.452 250 F N 2.401 122.316 119.950 -0.057 0.000 2.472 250 F HA 0.200 4.727 4.527 0.000 0.000 0.364 250 F C 1.542 177.287 175.800 -0.091 0.000 1.090 250 F CA -0.205 57.751 58.000 -0.073 0.000 1.188 250 F CB 0.984 39.937 39.000 -0.079 0.000 1.105 250 F HN 0.598 nan 8.300 nan 0.000 0.536 251 K N 1.246 121.710 120.400 0.107 0.000 2.089 251 K HA -0.213 4.107 4.320 0.000 0.000 0.210 251 K C 0.745 177.323 176.600 -0.037 0.000 1.048 251 K CA 1.921 58.214 56.287 0.011 0.000 0.926 251 K CB -0.001 32.506 32.500 0.012 0.000 0.714 251 K HN 0.590 nan 8.250 nan 0.000 0.448 252 D N -0.767 119.639 120.400 0.010 0.000 2.349 252 D HA 0.121 4.761 4.640 0.000 0.000 0.214 252 D C 0.471 176.734 176.300 -0.062 0.000 1.063 252 D CA 0.556 54.526 54.000 -0.048 0.000 0.847 252 D CB 0.724 41.495 40.800 -0.048 0.000 0.933 252 D HN 0.331 nan 8.370 nan 0.000 0.513 253 G N 1.310 110.108 108.800 -0.004 0.000 2.705 253 G HA2 -0.232 3.728 3.960 0.000 0.000 0.686 253 G HA3 -0.232 3.728 3.960 0.000 0.000 0.686 253 G C 0.543 175.465 174.900 0.037 0.000 1.285 253 G CA -0.623 44.476 45.100 -0.000 0.000 0.800 253 G HN -0.067 nan 8.290 nan 0.000 0.611 254 Q N 0.128 120.017 119.800 0.150 0.000 2.181 254 Q HA -0.114 4.226 4.340 0.000 0.000 0.205 254 Q C 2.944 179.052 176.000 0.180 0.000 0.980 254 Q CA 1.999 57.950 55.803 0.247 0.000 0.862 254 Q CB -0.348 28.625 28.738 0.392 0.000 0.905 254 Q HN 0.644 nan 8.270 nan 0.000 0.429 255 S N 0.832 116.600 115.700 0.114 0.000 2.400 255 S HA -0.135 4.335 4.470 0.000 0.000 0.232 255 S C 1.970 176.569 174.600 -0.002 0.000 1.025 255 S CA 0.956 59.195 58.200 0.065 0.000 0.993 255 S CB -0.155 63.085 63.200 0.066 0.000 0.808 255 S HN 0.514 nan 8.310 nan 0.000 0.478 256 A N 0.764 123.557 122.820 -0.045 0.000 1.933 256 A HA -0.059 4.262 4.320 0.000 0.000 0.218 256 A C 1.845 179.372 177.584 -0.095 0.000 1.175 256 A CA 1.189 53.173 52.037 -0.089 0.000 0.628 256 A CB -0.699 18.232 19.000 -0.115 0.000 0.814 256 A HN 0.495 nan 8.150 nan 0.000 0.444 257 F N 1.090 120.824 119.950 -0.359 0.000 2.113 257 F HA -0.009 4.518 4.527 0.000 0.000 0.297 257 F C 2.514 178.363 175.800 0.082 0.000 1.103 257 F CA 0.863 58.658 58.000 -0.342 0.000 1.248 257 F CB -0.802 37.821 39.000 -0.630 0.000 0.999 257 F HN 0.238 nan 8.300 nan 0.000 0.475 258 A N 0.695 123.627 122.820 0.185 0.000 1.972 258 A HA -0.169 4.151 4.320 0.000 0.000 0.219 258 A C 2.250 179.882 177.584 0.079 0.000 1.169 258 A CA 1.278 53.385 52.037 0.118 0.000 0.635 258 A CB -0.584 18.340 19.000 -0.125 0.000 0.810 258 A HN 0.293 nan 8.150 nan 0.000 0.446 259 R N -0.334 120.161 120.500 -0.008 0.000 2.152 259 R HA -0.053 4.287 4.340 0.000 0.000 0.232 259 R C 2.066 178.344 176.300 -0.037 0.000 1.117 259 R CA 0.861 56.964 56.100 0.005 0.000 0.981 259 R CB -0.641 29.635 30.300 -0.039 0.000 0.870 259 R HN 0.448 nan 8.270 nan 0.000 0.451 260 R N 0.179 120.523 120.500 -0.260 0.000 2.080 260 R HA -0.070 4.270 4.340 0.000 0.000 0.236 260 R C 2.363 178.326 176.300 -0.563 0.000 1.137 260 R CA 1.342 57.035 56.100 -0.679 0.000 0.943 260 R CB -1.131 28.270 30.300 -1.498 0.000 0.846 260 R HN 0.260 nan 8.270 nan 0.000 0.431 261 F N -0.311 119.420 119.950 -0.365 0.000 2.126 261 F HA -0.245 4.282 4.527 0.000 0.000 0.299 261 F C 2.589 178.415 175.800 0.043 0.000 1.096 261 F CA 1.110 59.093 58.000 -0.028 0.000 1.255 261 F CB -0.637 38.377 39.000 0.022 0.000 0.997 261 F HN 0.201 nan 8.300 nan 0.000 0.479 262 W N 1.820 123.157 121.300 0.062 0.000 2.333 262 W HA -0.204 4.456 4.660 0.000 0.000 0.316 262 W C 2.042 178.546 176.519 -0.025 0.000 1.215 262 W CA 1.714 59.051 57.345 -0.012 0.000 1.278 262 W CB -0.187 29.225 29.460 -0.080 0.000 1.154 262 W HN 0.007 nan 8.180 nan 0.000 0.486 263 E N 0.373 120.595 120.200 0.036 0.000 2.153 263 E HA -0.254 4.096 4.350 0.000 0.000 0.194 263 E C 1.787 178.331 176.600 -0.094 0.000 0.988 263 E CA 1.627 57.987 56.400 -0.067 0.000 0.811 263 E CB -0.673 29.017 29.700 -0.017 0.000 0.746 263 E HN 0.577 nan 8.360 nan 0.000 0.466 264 E N 0.436 120.610 120.200 -0.043 0.000 2.046 264 E HA -0.101 4.249 4.350 0.000 0.000 0.190 264 E C 1.984 178.561 176.600 -0.038 0.000 0.982 264 E CA 0.905 57.307 56.400 0.003 0.000 0.800 264 E CB 0.024 29.788 29.700 0.106 0.000 0.756 264 E HN 0.173 nan 8.360 nan 0.000 0.449 265 A N 1.236 124.011 122.820 -0.074 0.000 1.898 265 A HA -0.063 4.257 4.320 0.000 0.000 0.216 265 A C 2.397 179.848 177.584 -0.222 0.000 1.181 265 A CA 1.680 53.643 52.037 -0.123 0.000 0.620 265 A CB -0.776 18.147 19.000 -0.128 0.000 0.819 265 A HN 0.400 nan 8.150 nan 0.000 0.442 266 A N -0.416 122.163 122.820 -0.402 0.000 1.908 266 A HA 0.077 4.397 4.320 0.000 0.000 0.218 266 A C 2.315 179.806 177.584 -0.154 0.000 1.181 266 A CA 1.872 53.690 52.037 -0.365 0.000 0.627 266 A CB -1.354 17.332 19.000 -0.522 0.000 0.818 266 A HN 0.839 nan 8.150 nan 0.000 0.445 267 G N -0.876 107.854 108.800 -0.117 0.000 2.776 267 G HA2 -0.015 3.945 3.960 0.000 0.000 0.209 267 G HA3 -0.015 3.945 3.960 0.000 0.000 0.209 267 G C 1.410 176.289 174.900 -0.035 0.000 1.145 267 G CA 1.582 46.648 45.100 -0.056 0.000 0.791 267 G HN 0.687 nan 8.290 nan 0.000 0.530 268 T N -2.978 111.554 114.554 -0.037 0.000 3.055 268 T HA 0.293 4.643 4.350 0.000 0.000 0.265 268 T C 2.123 176.818 174.700 -0.009 0.000 1.111 268 T CA 1.018 63.108 62.100 -0.016 0.000 1.118 268 T CB -0.065 68.801 68.868 -0.004 0.000 0.909 268 T HN 1.157 nan 8.240 nan 0.000 0.501 269 G N 1.894 110.687 108.800 -0.012 0.000 2.189 269 G HA2 -0.324 3.636 3.960 0.000 0.000 0.267 269 G HA3 -0.324 3.636 3.960 0.000 0.000 0.267 269 G C 0.908 175.824 174.900 0.026 0.000 0.975 269 G CA 0.377 45.479 45.100 0.004 0.000 0.644 269 G HN 0.579 nan 8.290 nan 0.000 0.537 270 R N -1.034 119.487 120.500 0.034 0.000 2.393 270 R HA 0.366 4.706 4.340 0.000 0.000 0.244 270 R C 0.417 176.796 176.300 0.130 0.000 0.920 270 R CA -0.288 55.859 56.100 0.079 0.000 1.076 270 R CB 0.386 30.729 30.300 0.072 0.000 1.119 270 R HN 0.340 nan 8.270 nan 0.000 0.524 271 L N 0.839 122.111 121.223 0.081 0.000 2.264 271 L HA 0.472 4.812 4.340 0.000 0.000 0.289 271 L C -0.047 176.915 176.870 0.153 0.000 1.044 271 L CA -0.237 54.645 54.840 0.069 0.000 0.807 271 L CB 1.363 43.371 42.059 -0.085 0.000 1.192 271 L HN -0.006 nan 8.230 nan 0.000 0.425 272 G N 4.087 112.971 108.800 0.140 0.000 2.410 272 G HA2 0.572 4.532 3.960 0.000 0.000 0.330 272 G HA3 0.572 4.532 3.960 0.000 0.000 0.330 272 G C -1.775 173.095 174.900 -0.051 0.000 1.142 272 G CA -0.334 44.797 45.100 0.052 0.000 0.902 272 G HN 0.750 nan 8.290 nan 0.000 0.491 273 Y N -1.469 118.777 120.300 -0.090 0.000 2.552 273 Y HA 0.680 5.230 4.550 0.000 0.000 0.337 273 Y C -1.315 174.499 175.900 -0.144 0.000 1.094 273 Y CA -1.673 56.343 58.100 -0.140 0.000 1.028 273 Y CB 1.476 40.023 38.460 0.145 0.000 1.321 273 Y HN 0.480 nan 8.280 nan 0.000 0.456 274 V N 3.689 123.501 119.914 -0.171 0.000 2.569 274 V HA 0.465 4.585 4.120 0.000 0.000 0.301 274 V C -0.968 174.940 176.094 -0.309 0.000 1.044 274 V CA -0.780 61.437 62.300 -0.138 0.000 0.874 274 V CB 1.103 32.814 31.823 -0.186 0.000 1.002 274 V HN 0.737 nan 8.190 nan 0.000 0.424 275 F N 1.465 121.443 119.950 0.046 0.000 2.450 275 F HA 0.728 5.255 4.527 0.000 0.000 0.328 275 F C 1.336 177.097 175.800 -0.065 0.000 1.068 275 F CA 0.377 58.343 58.000 -0.056 0.000 1.007 275 F CB 1.565 40.512 39.000 -0.089 0.000 1.251 275 F HN 0.764 nan 8.300 nan 0.000 0.492 276 G N 0.349 109.200 108.800 0.085 0.000 2.225 276 G HA2 -0.271 3.689 3.960 0.000 0.000 0.264 276 G HA3 -0.271 3.689 3.960 0.000 0.000 0.264 276 G C -0.429 174.462 174.900 -0.014 0.000 1.060 276 G CA -0.025 45.087 45.100 0.020 0.000 0.833 276 G HN 0.899 nan 8.290 nan 0.000 0.498 277 C N 1.435 120.682 119.300 -0.089 0.000 3.414 277 C HA 0.568 5.028 4.460 0.000 0.000 0.208 277 C C -1.999 172.911 174.990 -0.133 0.000 1.422 277 C CA -2.160 56.807 59.018 -0.084 0.000 1.437 277 C CB -0.102 27.564 27.740 -0.124 0.000 1.850 277 C HN 0.390 nan 8.230 nan 0.000 0.481 278 P HA 0.082 nan 4.420 nan 0.000 0.262 278 P C -0.048 177.247 177.300 -0.008 0.000 1.199 278 P CA 0.631 63.678 63.100 -0.088 0.000 0.763 278 P CB 0.489 32.249 31.700 0.100 0.000 0.790 279 V N 5.210 125.107 119.914 -0.028 0.000 2.649 279 V HA 0.189 4.309 4.120 0.000 0.000 0.292 279 V C 1.857 177.961 176.094 0.017 0.000 1.055 279 V CA 0.116 62.414 62.300 -0.002 0.000 1.023 279 V CB 1.067 32.869 31.823 -0.034 0.000 0.992 279 V HN 0.633 nan 8.190 nan 0.000 0.480 280 R N 1.839 122.340 120.500 0.001 0.000 2.369 280 R HA 0.266 4.606 4.340 0.000 0.000 0.210 280 R C 0.282 176.523 176.300 -0.098 0.000 0.881 280 R CA 0.450 56.539 56.100 -0.018 0.000 1.031 280 R CB 0.680 30.986 30.300 0.009 0.000 1.184 280 R HN 0.683 nan 8.270 nan 0.000 0.581 281 S N -0.049 115.576 115.700 -0.125 0.000 2.543 281 S HA 0.567 5.037 4.470 0.000 0.000 0.271 281 S C -0.936 173.561 174.600 -0.171 0.000 1.148 281 S CA -0.783 57.309 58.200 -0.181 0.000 0.914 281 S CB 2.508 65.660 63.200 -0.081 0.000 1.096 281 S HN -0.044 nan 8.310 nan 0.000 0.471 282 V N 2.438 122.210 119.914 -0.237 0.000 2.487 282 V HA 0.666 4.786 4.120 0.000 0.000 0.298 282 V C -0.762 175.368 176.094 0.060 0.000 1.028 282 V CA -0.624 61.650 62.300 -0.044 0.000 0.860 282 V CB 1.697 33.550 31.823 0.050 0.000 0.991 282 V HN 0.866 nan 8.190 nan 0.000 0.427 283 V N 4.150 124.103 119.914 0.065 0.000 2.487 283 V HA 0.385 4.505 4.120 0.000 0.000 0.298 283 V C 0.016 176.148 176.094 0.063 0.000 1.028 283 V CA -0.878 61.467 62.300 0.076 0.000 0.860 283 V CB 1.924 33.776 31.823 0.049 0.000 0.991 283 V HN 0.928 nan 8.190 nan 0.000 0.427 284 N N 3.429 122.163 118.700 0.057 0.000 2.513 284 N HA 0.369 5.109 4.740 0.000 0.000 0.268 284 N C -0.194 175.326 175.510 0.017 0.000 1.180 284 N CA 0.095 53.154 53.050 0.016 0.000 0.948 284 N CB 0.941 39.408 38.487 -0.034 0.000 1.083 284 N HN 0.754 nan 8.380 nan 0.000 0.455 285 E N 0.436 120.644 120.200 0.013 0.000 2.458 285 E HA 0.377 4.727 4.350 0.000 0.000 0.250 285 E C -0.723 175.883 176.600 0.010 0.000 0.883 285 E CA -0.932 55.477 56.400 0.015 0.000 0.868 285 E CB 1.072 30.785 29.700 0.021 0.000 1.593 285 E HN 0.318 nan 8.360 nan 0.000 0.410 286 R N 1.891 122.399 120.500 0.012 0.000 2.404 286 R HA 0.022 4.362 4.340 0.000 0.000 0.315 286 R C -0.597 175.712 176.300 0.014 0.000 1.032 286 R CA 0.360 56.467 56.100 0.011 0.000 0.992 286 R CB -0.107 30.200 30.300 0.012 0.000 0.959 286 R HN 0.536 nan 8.270 nan 0.000 0.428 287 D N -0.220 120.187 120.400 0.013 0.000 3.068 287 D HA -0.241 4.399 4.640 0.000 0.000 0.219 287 D C -0.424 175.891 176.300 0.024 0.000 1.175 287 D CA 1.971 55.981 54.000 0.018 0.000 0.942 287 D CB -0.219 40.594 40.800 0.021 0.000 1.127 287 D HN 0.692 nan 8.370 nan 0.000 0.404 288 A N -0.854 121.981 122.820 0.024 0.000 2.552 288 A HA 0.898 5.219 4.320 0.000 0.000 0.288 288 A C -1.255 176.347 177.584 0.031 0.000 1.193 288 A CA 0.218 52.276 52.037 0.035 0.000 0.713 288 A CB 2.121 21.148 19.000 0.045 0.000 1.305 288 A HN 0.546 nan 8.150 nan 0.000 0.424 289 A N 0.040 122.887 122.820 0.044 0.000 2.455 289 A HA 0.763 5.084 4.320 0.000 0.000 0.300 289 A C -0.668 176.952 177.584 0.061 0.000 1.040 289 A CA -0.498 51.565 52.037 0.043 0.000 0.697 289 A CB 1.216 20.234 19.000 0.030 0.000 1.265 289 A HN 0.883 nan 8.150 nan 0.000 0.407 290 R N 1.836 122.371 120.500 0.058 0.000 2.295 290 R HA 0.618 4.958 4.340 0.000 0.000 0.324 290 R C -1.551 174.791 176.300 0.069 0.000 0.968 290 R CA -0.273 55.866 56.100 0.066 0.000 0.837 290 R CB 1.251 31.579 30.300 0.046 0.000 1.133 290 R HN 0.502 nan 8.270 nan 0.000 0.450 291 V N 3.966 123.946 119.914 0.109 0.000 2.398 291 V HA 0.390 4.510 4.120 0.000 0.000 0.286 291 V C -0.297 175.897 176.094 0.168 0.000 1.026 291 V CA -0.520 61.849 62.300 0.115 0.000 0.868 291 V CB 1.892 33.778 31.823 0.105 0.000 0.982 291 V HN 0.820 nan 8.190 nan 0.000 0.443 292 T N 4.044 118.656 114.554 0.096 0.000 2.812 292 T HA 0.718 5.068 4.350 0.000 0.000 0.282 292 T C 0.234 174.990 174.700 0.094 0.000 0.990 292 T CA -0.250 61.900 62.100 0.083 0.000 0.960 292 T CB 1.759 70.641 68.868 0.023 0.000 0.948 292 T HN 0.896 nan 8.240 nan 0.000 0.438 293 A N 2.576 125.480 122.820 0.140 0.000 2.280 293 A HA 0.451 4.771 4.320 0.000 0.000 0.268 293 A C 1.543 179.168 177.584 0.068 0.000 1.111 293 A CA -0.400 51.710 52.037 0.121 0.000 0.814 293 A CB 0.334 19.448 19.000 0.189 0.000 1.093 293 A HN 0.923 nan 8.150 nan 0.000 0.498 294 R N -0.440 120.100 120.500 0.067 0.000 2.092 294 R HA -0.137 4.203 4.340 0.000 0.000 0.231 294 R C 1.233 177.561 176.300 0.047 0.000 1.119 294 R CA 1.759 57.895 56.100 0.059 0.000 0.970 294 R CB -0.231 30.116 30.300 0.078 0.000 0.864 294 R HN 0.923 nan 8.270 nan 0.000 0.440 295 D N -1.673 118.756 120.400 0.049 0.000 2.348 295 D HA -0.023 4.617 4.640 0.000 0.000 0.216 295 D C 1.183 177.493 176.300 0.017 0.000 0.970 295 D CA 1.280 55.301 54.000 0.034 0.000 0.889 295 D CB 0.219 41.041 40.800 0.037 0.000 0.912 295 D HN 0.343 nan 8.370 nan 0.000 0.524 296 G N -0.465 108.343 108.800 0.013 0.000 2.421 296 G HA2 -0.217 3.744 3.960 0.000 0.000 0.188 296 G HA3 -0.217 3.744 3.960 0.000 0.000 0.188 296 G C 0.234 175.102 174.900 -0.054 0.000 1.001 296 G CA -0.343 44.749 45.100 -0.012 0.000 0.693 296 G HN 0.358 nan 8.290 nan 0.000 0.479 297 R N 1.184 121.634 120.500 -0.084 0.000 2.623 297 R HA 0.472 4.812 4.340 0.000 0.000 0.271 297 R C -0.183 175.919 176.300 -0.330 0.000 1.043 297 R CA 0.559 56.499 56.100 -0.265 0.000 1.083 297 R CB 0.400 30.512 30.300 -0.313 0.000 0.974 297 R HN 0.442 nan 8.270 nan 0.000 0.436 298 E N 2.071 121.928 120.200 -0.572 0.000 2.266 298 E HA 0.393 4.743 4.350 0.000 0.000 0.268 298 E C -1.167 175.041 176.600 -0.653 0.000 0.879 298 E CA -0.565 55.594 56.400 -0.401 0.000 0.762 298 E CB 1.771 31.367 29.700 -0.173 0.000 1.199 298 E HN 0.270 nan 8.360 nan 0.000 0.422 299 F N 0.319 120.282 119.950 0.022 0.000 2.588 299 F HA 0.541 5.069 4.527 0.000 0.000 0.310 299 F C -0.492 175.346 175.800 0.065 0.000 1.082 299 F CA -1.079 56.952 58.000 0.052 0.000 0.929 299 F CB 1.667 40.656 39.000 -0.019 0.000 1.254 299 F HN 0.101 nan 8.300 nan 0.000 0.455 300 V N 1.615 121.717 119.914 0.312 0.000 2.709 300 V HA 0.959 5.079 4.120 0.000 0.000 0.308 300 V C -0.636 175.616 176.094 0.262 0.000 1.062 300 V CA -0.698 61.732 62.300 0.216 0.000 0.901 300 V CB 1.577 33.487 31.823 0.146 0.000 1.003 300 V HN 1.055 nan 8.190 nan 0.000 0.425 301 A N 3.290 126.216 122.820 0.177 0.000 2.610 301 A HA 0.627 4.947 4.320 0.000 0.000 0.291 301 A C 0.290 177.938 177.584 0.107 0.000 1.086 301 A CA -0.649 51.495 52.037 0.179 0.000 0.677 301 A CB 1.464 20.569 19.000 0.174 0.000 1.278 301 A HN 0.708 nan 8.150 nan 0.000 0.414 302 K N -0.144 120.316 120.400 0.099 0.000 2.148 302 K HA 0.022 4.342 4.320 0.000 0.000 0.204 302 K C 0.182 176.798 176.600 0.027 0.000 1.050 302 K CA 0.851 57.175 56.287 0.062 0.000 0.942 302 K CB -0.021 32.521 32.500 0.070 0.000 0.724 302 K HN 0.439 nan 8.250 nan 0.000 0.446 303 R N 0.503 121.009 120.500 0.010 0.000 2.771 303 R HA 0.429 4.769 4.340 0.000 0.000 0.274 303 R C -1.119 175.162 176.300 -0.032 0.000 0.987 303 R CA -0.768 55.316 56.100 -0.026 0.000 0.908 303 R CB 2.128 32.392 30.300 -0.061 0.000 1.213 303 R HN -0.192 nan 8.270 nan 0.000 0.468 304 V N 1.983 121.868 119.914 -0.048 0.000 2.495 304 V HA 0.364 4.484 4.120 0.000 0.000 0.298 304 V C -0.259 175.781 176.094 -0.090 0.000 1.031 304 V CA -0.852 61.410 62.300 -0.062 0.000 0.871 304 V CB 2.241 34.037 31.823 -0.046 0.000 0.988 304 V HN 0.414 nan 8.190 nan 0.000 0.432 305 V N 4.278 124.143 119.914 -0.082 0.000 2.333 305 V HA 0.275 4.395 4.120 0.000 0.000 0.274 305 V C 0.081 176.142 176.094 -0.054 0.000 1.028 305 V CA -0.395 61.864 62.300 -0.069 0.000 0.851 305 V CB 1.224 33.018 31.823 -0.049 0.000 1.000 305 V HN 0.989 nan 8.190 nan 0.000 0.456 306 C N 5.275 124.540 119.300 -0.059 0.000 2.264 306 C HA 0.601 5.061 4.460 0.000 0.000 0.324 306 C C 1.427 176.520 174.990 0.171 0.000 1.267 306 C CA 0.249 59.286 59.018 0.031 0.000 1.618 306 C CB 0.313 28.043 27.740 -0.017 0.000 2.278 306 C HN 1.019 nan 8.230 nan 0.000 0.499 307 T N 3.337 117.976 114.554 0.142 0.000 3.132 307 T HA 0.311 4.661 4.350 0.000 0.000 0.274 307 T C 0.418 175.211 174.700 0.154 0.000 1.011 307 T CA -0.193 61.983 62.100 0.127 0.000 0.899 307 T CB -0.439 68.443 68.868 0.022 0.000 1.089 307 T HN 0.645 nan 8.240 nan 0.000 0.543 308 I N 3.155 123.870 120.570 0.241 0.000 2.826 308 I HA 0.123 4.293 4.170 0.000 0.000 0.295 308 I C -2.094 174.222 176.117 0.330 0.000 1.213 308 I CA -1.592 59.872 61.300 0.274 0.000 1.436 308 I CB 0.337 38.531 38.000 0.323 0.000 1.348 308 I HN 0.093 nan 8.210 nan 0.000 0.570 309 P HA -0.011 nan 4.420 nan 0.000 0.271 309 P C 0.538 178.074 177.300 0.393 0.000 1.218 309 P CA -0.411 62.859 63.100 0.285 0.000 0.780 309 P CB 0.669 32.533 31.700 0.272 0.000 0.901 310 L N 3.428 124.949 121.223 0.496 0.000 2.054 310 L HA -0.285 4.055 4.340 0.000 0.000 0.220 310 L C 1.337 178.398 176.870 0.318 0.000 1.081 310 L CA 2.242 57.371 54.840 0.482 0.000 0.780 310 L CB -1.234 41.169 42.059 0.573 0.000 0.893 310 L HN 0.326 nan 8.230 nan 0.000 0.438 311 N N -1.570 117.305 118.700 0.293 0.000 2.521 311 N HA -0.010 4.731 4.740 0.000 0.000 0.188 311 N C 1.143 176.747 175.510 0.156 0.000 1.146 311 N CA 0.908 54.051 53.050 0.155 0.000 0.893 311 N CB 0.214 38.724 38.487 0.040 0.000 0.975 311 N HN 0.345 nan 8.380 nan 0.000 0.451 312 V N -0.587 119.456 119.914 0.215 0.000 3.612 312 V HA 0.157 4.278 4.120 0.000 0.000 0.268 312 V C 1.854 178.083 176.094 0.225 0.000 1.365 312 V CA 0.093 62.520 62.300 0.213 0.000 1.044 312 V CB 0.166 32.148 31.823 0.265 0.000 0.820 312 V HN 0.176 nan 8.190 nan 0.000 0.444 313 L N 1.369 122.744 121.223 0.253 0.000 2.191 313 L HA -0.141 4.199 4.340 0.000 0.000 0.212 313 L C 2.595 179.620 176.870 0.258 0.000 1.103 313 L CA 1.876 56.897 54.840 0.302 0.000 0.769 313 L CB -0.304 41.914 42.059 0.265 0.000 0.908 313 L HN 0.591 nan 8.230 nan 0.000 0.438 314 S N -1.869 113.934 115.700 0.170 0.000 2.515 314 S HA -0.117 4.353 4.470 0.000 0.000 0.231 314 S C 1.824 176.493 174.600 0.115 0.000 0.987 314 S CA 0.922 59.201 58.200 0.131 0.000 0.936 314 S CB -0.601 62.650 63.200 0.084 0.000 0.766 314 S HN 0.550 nan 8.310 nan 0.000 0.528 315 T N -0.085 114.540 114.554 0.118 0.000 3.160 315 T HA 0.319 4.669 4.350 0.000 0.000 0.257 315 T C 0.538 175.276 174.700 0.063 0.000 1.147 315 T CA -0.208 61.945 62.100 0.088 0.000 1.064 315 T CB -0.533 68.394 68.868 0.098 0.000 0.949 315 T HN 0.317 nan 8.240 nan 0.000 0.526 316 I N 2.115 122.721 120.570 0.060 0.000 2.404 316 I HA 0.366 4.536 4.170 0.000 0.000 0.293 316 I C -0.263 175.738 176.117 -0.193 0.000 0.992 316 I CA -1.040 60.193 61.300 -0.113 0.000 1.149 316 I CB 1.476 39.328 38.000 -0.248 0.000 1.315 316 I HN 0.251 nan 8.210 nan 0.000 0.446 317 Q N 5.354 125.019 119.800 -0.225 0.000 2.294 317 Q HA 0.468 4.808 4.340 0.000 0.000 0.257 317 Q C -1.415 174.420 176.000 -0.274 0.000 0.955 317 Q CA 0.046 55.768 55.803 -0.135 0.000 0.936 317 Q CB 0.822 29.529 28.738 -0.051 0.000 1.188 317 Q HN 0.330 nan 8.270 nan 0.000 0.420 318 F N 0.798 120.818 119.950 0.117 0.000 2.444 318 F HA 0.391 4.918 4.527 0.000 0.000 0.342 318 F C 0.249 176.140 175.800 0.152 0.000 1.121 318 F CA -0.598 57.499 58.000 0.162 0.000 0.997 318 F CB 2.059 41.193 39.000 0.224 0.000 1.130 318 F HN 0.339 nan 8.300 nan 0.000 0.454 319 S N 4.895 120.778 115.700 0.305 0.000 2.605 319 S HA 0.539 5.009 4.470 0.000 0.000 0.308 319 S C -2.495 172.219 174.600 0.191 0.000 1.113 319 S CA -1.388 56.939 58.200 0.212 0.000 1.049 319 S CB 1.626 64.898 63.200 0.120 0.000 1.001 319 S HN 0.252 nan 8.310 nan 0.000 0.480 320 P HA 0.383 nan 4.420 nan 0.000 0.279 320 P C -0.806 176.680 177.300 0.309 0.000 1.282 320 P CA -0.585 62.633 63.100 0.196 0.000 0.788 320 P CB 0.380 32.162 31.700 0.138 0.000 1.139 321 A N 0.319 123.264 122.820 0.208 0.000 2.386 321 A HA 0.356 4.676 4.320 0.000 0.000 0.248 321 A C 0.539 178.169 177.584 0.076 0.000 1.082 321 A CA -0.402 51.727 52.037 0.154 0.000 0.789 321 A CB -0.746 18.310 19.000 0.092 0.000 1.025 321 A HN 0.473 nan 8.150 nan 0.000 0.490 322 L N 1.352 122.535 121.223 -0.067 0.000 2.475 322 L HA 0.279 4.619 4.340 0.000 0.000 0.253 322 L C 1.347 178.106 176.870 -0.184 0.000 1.198 322 L CA -0.345 54.316 54.840 -0.298 0.000 0.814 322 L CB 0.544 42.352 42.059 -0.418 0.000 1.134 322 L HN 0.933 nan 8.230 nan 0.000 0.478 323 S N -0.910 114.653 115.700 -0.229 0.000 2.600 323 S HA 0.046 4.516 4.470 0.000 0.000 0.265 323 S C 1.023 175.549 174.600 -0.123 0.000 1.325 323 S CA -0.335 57.781 58.200 -0.140 0.000 1.002 323 S CB 1.081 64.195 63.200 -0.143 0.000 0.921 323 S HN 0.629 nan 8.310 nan 0.000 0.554 324 T N 1.532 116.038 114.554 -0.079 0.000 2.759 324 T HA -0.106 4.244 4.350 0.000 0.000 0.269 324 T C 1.497 176.151 174.700 -0.076 0.000 1.042 324 T CA 2.090 64.153 62.100 -0.062 0.000 1.140 324 T CB -0.516 68.329 68.868 -0.038 0.000 0.864 324 T HN 0.738 nan 8.240 nan 0.000 0.455 325 E N 0.638 120.782 120.200 -0.094 0.000 2.072 325 E HA 0.041 4.391 4.350 0.000 0.000 0.190 325 E C 2.477 178.990 176.600 -0.144 0.000 0.982 325 E CA 0.698 57.040 56.400 -0.098 0.000 0.803 325 E CB -0.095 29.550 29.700 -0.092 0.000 0.755 325 E HN 0.283 nan 8.360 nan 0.000 0.453 326 R N 0.093 120.458 120.500 -0.225 0.000 2.081 326 R HA -0.071 4.270 4.340 0.000 0.000 0.235 326 R C 2.333 178.506 176.300 -0.213 0.000 1.131 326 R CA 1.196 57.106 56.100 -0.316 0.000 0.960 326 R CB -0.418 29.577 30.300 -0.509 0.000 0.856 326 R HN 0.219 nan 8.270 nan 0.000 0.436 327 I N 0.308 120.784 120.570 -0.156 0.000 2.163 327 I HA -0.299 3.871 4.170 0.000 0.000 0.243 327 I C 2.353 178.440 176.117 -0.050 0.000 1.085 327 I CA 1.279 62.528 61.300 -0.085 0.000 1.347 327 I CB -0.267 37.698 38.000 -0.058 0.000 1.044 327 I HN 0.064 nan 8.210 nan 0.000 0.408 328 S N 0.658 116.330 115.700 -0.047 0.000 2.359 328 S HA -0.262 4.208 4.470 0.000 0.000 0.223 328 S C 2.272 176.870 174.600 -0.003 0.000 1.039 328 S CA 1.587 59.775 58.200 -0.021 0.000 1.042 328 S CB -0.552 62.638 63.200 -0.016 0.000 0.915 328 S HN 0.568 nan 8.310 nan 0.000 0.439 329 A N 1.229 124.044 122.820 -0.009 0.000 1.877 329 A HA -0.086 4.234 4.320 0.000 0.000 0.216 329 A C 2.154 179.775 177.584 0.061 0.000 1.186 329 A CA 1.787 53.849 52.037 0.043 0.000 0.620 329 A CB -0.650 18.365 19.000 0.025 0.000 0.822 329 A HN 0.511 nan 8.150 nan 0.000 0.443 330 M N -1.207 118.403 119.600 0.017 0.000 2.159 330 M HA -0.193 4.287 4.480 0.000 0.000 0.263 330 M C 2.260 178.582 176.300 0.038 0.000 1.063 330 M CA 1.490 56.812 55.300 0.037 0.000 1.110 330 M CB -0.144 32.455 32.600 -0.002 0.000 1.374 330 M HN 0.388 nan 8.290 nan 0.000 0.411 331 Q N -0.291 119.520 119.800 0.019 0.000 2.049 331 Q HA -0.037 4.303 4.340 0.000 0.000 0.198 331 Q C 2.166 178.172 176.000 0.009 0.000 0.971 331 Q CA 1.774 57.586 55.803 0.014 0.000 0.833 331 Q CB -0.568 28.174 28.738 0.006 0.000 0.896 331 Q HN 0.640 nan 8.270 nan 0.000 0.434 332 A N 0.418 123.246 122.820 0.012 0.000 1.877 332 A HA 0.177 4.497 4.320 0.000 0.000 0.216 332 A C 1.151 178.732 177.584 -0.006 0.000 1.186 332 A CA 1.595 53.635 52.037 0.005 0.000 0.620 332 A CB -0.941 18.068 19.000 0.016 0.000 0.822 332 A HN 0.462 nan 8.150 nan 0.000 0.443 333 G N -1.089 107.723 108.800 0.020 0.000 2.846 333 G HA2 -0.127 3.833 3.960 0.000 0.000 0.660 333 G HA3 -0.127 3.833 3.960 0.000 0.000 0.660 333 G C -0.082 174.808 174.900 -0.016 0.000 1.464 333 G CA -0.039 45.055 45.100 -0.010 0.000 0.891 333 G HN 1.501 nan 8.290 nan 0.000 0.552 334 H N -1.331 117.753 119.070 0.023 0.000 2.505 334 H HA 0.577 5.134 4.556 0.000 0.000 0.358 334 H C 1.589 176.832 175.328 -0.142 0.000 1.304 334 H CA -0.047 55.907 56.048 -0.156 0.000 1.393 334 H CB 1.338 30.881 29.762 -0.365 0.000 1.591 334 H HN 1.250 nan 8.280 nan 0.000 0.595 335 V N -1.773 118.168 119.914 0.045 0.000 3.647 335 V HA 0.127 4.247 4.120 0.000 0.000 0.279 335 V C 0.840 176.902 176.094 -0.053 0.000 1.314 335 V CA 0.161 62.437 62.300 -0.040 0.000 1.125 335 V CB -0.097 31.693 31.823 -0.055 0.000 0.907 335 V HN 0.584 nan 8.190 nan 0.000 0.434 336 S N 2.079 117.814 115.700 0.059 0.000 2.422 336 S HA 0.493 4.963 4.470 0.000 0.000 0.283 336 S C 0.294 174.775 174.600 -0.199 0.000 1.163 336 S CA -0.424 57.630 58.200 -0.244 0.000 1.054 336 S CB 0.346 63.098 63.200 -0.747 0.000 0.967 336 S HN 0.422 nan 8.310 nan 0.000 0.499 337 M N 4.575 124.076 119.600 -0.164 0.000 2.959 337 M HA 0.208 4.688 4.480 0.000 0.000 0.337 337 M C 0.159 176.520 176.300 0.101 0.000 1.220 337 M CA -0.510 54.761 55.300 -0.048 0.000 0.893 337 M CB -0.726 31.772 32.600 -0.170 0.000 1.322 337 M HN 0.673 nan 8.290 nan 0.000 0.519 338 C N 2.036 121.312 119.300 -0.040 0.000 2.634 338 C HA 0.302 4.762 4.460 0.000 0.000 0.418 338 C C 0.842 176.000 174.990 0.281 0.000 1.373 338 C CA 0.734 59.822 59.018 0.116 0.000 1.756 338 C CB -0.246 27.535 27.740 0.069 0.000 2.589 338 C HN 0.609 nan 8.230 nan 0.000 0.602 339 T N 6.149 120.850 114.554 0.244 0.000 2.795 339 T HA 0.352 4.702 4.350 0.000 0.000 0.282 339 T C -0.478 174.336 174.700 0.189 0.000 0.980 339 T CA -0.212 61.983 62.100 0.157 0.000 1.012 339 T CB 0.747 69.565 68.868 -0.083 0.000 0.936 339 T HN 0.776 nan 8.240 nan 0.000 0.457 340 K N 3.308 123.807 120.400 0.166 0.000 2.535 340 K HA 0.603 4.924 4.320 0.000 0.000 0.253 340 K C -1.703 174.844 176.600 -0.089 0.000 0.953 340 K CA -0.552 55.726 56.287 -0.015 0.000 0.863 340 K CB 1.005 33.604 32.500 0.164 0.000 1.111 340 K HN 0.355 nan 8.250 nan 0.000 0.431 341 V N 4.908 124.695 119.914 -0.213 0.000 2.531 341 V HA 0.311 4.431 4.120 0.000 0.000 0.301 341 V C -0.638 175.378 176.094 -0.131 0.000 1.034 341 V CA -0.899 61.349 62.300 -0.086 0.000 0.865 341 V CB 1.557 33.314 31.823 -0.109 0.000 0.995 341 V HN 0.771 nan 8.190 nan 0.000 0.424 342 H N 3.381 122.588 119.070 0.229 0.000 2.527 342 H HA 0.707 5.263 4.556 0.000 0.000 0.321 342 H C 0.017 175.508 175.328 0.273 0.000 1.087 342 H CA -0.195 56.050 56.048 0.328 0.000 1.337 342 H CB 2.029 32.090 29.762 0.499 0.000 1.440 342 H HN 0.745 nan 8.280 nan 0.000 0.490 343 A N 3.305 126.346 122.820 0.368 0.000 2.319 343 A HA 0.241 4.562 4.320 0.000 0.000 0.310 343 A C -0.010 177.728 177.584 0.257 0.000 1.152 343 A CA -0.755 51.435 52.037 0.255 0.000 0.783 343 A CB 1.029 20.113 19.000 0.140 0.000 1.184 343 A HN 0.790 nan 8.150 nan 0.000 0.474 344 E N 2.155 122.495 120.200 0.234 0.000 2.130 344 E HA 0.457 4.807 4.350 0.000 0.000 0.284 344 E C -0.338 176.327 176.600 0.108 0.000 1.018 344 E CA -0.371 56.127 56.400 0.164 0.000 0.817 344 E CB 0.855 30.645 29.700 0.151 0.000 1.078 344 E HN 0.686 nan 8.360 nan 0.000 0.396 345 V N 1.726 121.658 119.914 0.031 0.000 3.103 345 V HA 0.419 4.539 4.120 0.000 0.000 0.318 345 V C 0.199 176.318 176.094 0.041 0.000 1.114 345 V CA -0.522 61.795 62.300 0.028 0.000 1.020 345 V CB 1.892 33.581 31.823 -0.223 0.000 1.085 345 V HN 0.734 nan 8.190 nan 0.000 0.446 346 D N 0.139 120.599 120.400 0.100 0.000 2.349 346 D HA 0.046 4.686 4.640 0.000 0.000 0.214 346 D C 0.435 176.775 176.300 0.068 0.000 1.063 346 D CA 0.147 54.195 54.000 0.080 0.000 0.847 346 D CB -0.373 40.483 40.800 0.093 0.000 0.933 346 D HN 0.517 nan 8.370 nan 0.000 0.513 347 N N 1.524 120.262 118.700 0.064 0.000 2.439 347 N HA 0.058 4.798 4.740 0.000 0.000 0.243 347 N C 0.557 176.073 175.510 0.009 0.000 1.088 347 N CA -0.068 53.008 53.050 0.043 0.000 0.940 347 N CB 0.834 39.358 38.487 0.062 0.000 1.180 347 N HN 0.051 nan 8.380 nan 0.000 0.505 348 K N 1.515 121.930 120.400 0.025 0.000 2.209 348 K HA -0.070 4.250 4.320 0.000 0.000 0.204 348 K C 0.205 176.828 176.600 0.039 0.000 1.048 348 K CA 0.929 57.233 56.287 0.028 0.000 0.940 348 K CB 0.377 32.897 32.500 0.032 0.000 0.729 348 K HN 0.479 nan 8.250 nan 0.000 0.451 349 D N 0.400 120.823 120.400 0.038 0.000 2.355 349 D HA -0.005 4.636 4.640 0.000 0.000 0.218 349 D C 1.268 177.609 176.300 0.069 0.000 1.004 349 D CA 0.706 54.736 54.000 0.050 0.000 0.880 349 D CB 0.182 41.003 40.800 0.035 0.000 0.911 349 D HN 0.213 nan 8.370 nan 0.000 0.528 350 M N -0.113 119.516 119.600 0.048 0.000 2.561 350 M HA 0.035 4.515 4.480 0.000 0.000 0.238 350 M C 1.781 178.186 176.300 0.176 0.000 1.131 350 M CA 0.000 55.347 55.300 0.077 0.000 1.046 350 M CB 0.330 32.847 32.600 -0.139 0.000 1.532 350 M HN -0.200 nan 8.290 nan 0.000 0.497 351 R N 1.474 122.061 120.500 0.145 0.000 2.133 351 R HA -0.137 4.203 4.340 0.000 0.000 0.247 351 R C 1.466 177.941 176.300 0.290 0.000 1.151 351 R CA 2.178 58.384 56.100 0.178 0.000 0.971 351 R CB -0.412 29.972 30.300 0.140 0.000 0.866 351 R HN 0.351 nan 8.270 nan 0.000 0.447 352 S N -2.005 113.900 115.700 0.340 0.000 2.561 352 S HA 0.146 4.616 4.470 0.000 0.000 0.245 352 S C -0.379 174.557 174.600 0.560 0.000 1.001 352 S CA -0.911 57.585 58.200 0.492 0.000 1.002 352 S CB -0.388 63.063 63.200 0.419 0.000 0.805 352 S HN 0.411 nan 8.310 nan 0.000 0.458 353 W N 3.160 124.642 121.300 0.303 0.000 2.438 353 W HA 0.609 5.269 4.660 0.000 0.000 0.324 353 W C -0.342 176.422 176.519 0.409 0.000 1.119 353 W CA -0.171 57.361 57.345 0.312 0.000 1.221 353 W CB 1.432 31.013 29.460 0.200 0.000 1.253 353 W HN 0.195 nan 8.180 nan 0.000 0.555 354 T N 2.615 116.958 114.554 -0.352 0.000 2.903 354 T HA 0.828 5.178 4.350 0.000 0.000 0.299 354 T C -0.602 173.404 174.700 -1.157 0.000 1.093 354 T CA -0.728 61.049 62.100 -0.538 0.000 1.002 354 T CB 1.518 70.459 68.868 0.122 0.000 1.127 354 T HN 0.925 nan 8.240 nan 0.000 0.488 355 G N 1.083 109.262 108.800 -1.035 0.000 2.682 355 G HA2 0.670 4.631 3.960 0.000 0.000 0.300 355 G HA3 0.670 4.631 3.960 0.000 0.000 0.300 355 G C -1.513 173.223 174.900 -0.273 0.000 1.391 355 G CA -0.872 43.809 45.100 -0.699 0.000 0.990 355 G HN 0.912 nan 8.290 nan 0.000 0.501 356 I N 1.292 121.757 120.570 -0.175 0.000 2.436 356 I HA 0.591 4.762 4.170 0.000 0.000 0.289 356 I C 0.084 176.197 176.117 -0.006 0.000 1.010 356 I CA -0.889 60.404 61.300 -0.011 0.000 1.098 356 I CB 2.225 40.313 38.000 0.147 0.000 1.266 356 I HN 0.595 nan 8.210 nan 0.000 0.434 357 A N 6.837 129.683 122.820 0.043 0.000 2.340 357 A HA 0.721 5.041 4.320 0.000 0.000 0.297 357 A C -1.541 175.955 177.584 -0.148 0.000 1.195 357 A CA -0.383 51.622 52.037 -0.054 0.000 0.769 357 A CB 0.634 19.551 19.000 -0.139 0.000 1.163 357 A HN 0.654 nan 8.150 nan 0.000 0.472 358 Y N 4.570 124.755 120.300 -0.191 0.000 2.474 358 Y HA 0.552 5.102 4.550 0.000 0.000 0.326 358 Y C -2.643 173.300 175.900 0.072 0.000 1.160 358 Y CA -1.305 56.733 58.100 -0.104 0.000 1.056 358 Y CB 2.693 41.146 38.460 -0.011 0.000 1.330 358 Y HN 0.424 nan 8.280 nan 0.000 0.447 359 P HA 0.090 nan 4.420 nan 0.000 0.268 359 P C 0.549 177.625 177.300 -0.374 0.000 1.329 359 P CA 0.198 62.710 63.100 -0.979 0.000 0.899 359 P CB -0.264 30.815 31.700 -1.036 0.000 1.378 360 F N -1.165 118.671 119.950 -0.190 0.000 2.780 360 F HA 0.330 4.857 4.527 0.000 0.000 0.299 360 F C 0.270 176.039 175.800 -0.052 0.000 1.146 360 F CA -0.595 57.342 58.000 -0.104 0.000 1.428 360 F CB -0.852 38.100 39.000 -0.079 0.000 1.115 360 F HN -0.233 nan 8.300 nan 0.000 0.583 361 N N 0.606 118.884 118.700 -0.703 0.000 2.384 361 N HA 0.292 5.032 4.740 0.000 0.000 0.301 361 N C 0.183 175.572 175.510 -0.203 0.000 1.133 361 N CA -0.710 52.063 53.050 -0.463 0.000 0.853 361 N CB 1.720 39.797 38.487 -0.684 0.000 1.241 361 N HN -0.005 nan 8.380 nan 0.000 0.502 362 K N 0.522 120.855 120.400 -0.113 0.000 2.400 362 K HA 0.279 4.599 4.320 0.000 0.000 0.194 362 K C -0.321 176.249 176.600 -0.050 0.000 1.033 362 K CA 0.547 56.787 56.287 -0.078 0.000 1.021 362 K CB 0.199 32.644 32.500 -0.093 0.000 0.808 362 K HN 0.354 nan 8.250 nan 0.000 0.505 363 L N 0.711 121.918 121.223 -0.028 0.000 2.325 363 L HA 0.222 4.562 4.340 0.000 0.000 0.281 363 L C 0.603 177.521 176.870 0.081 0.000 1.004 363 L CA -0.830 54.041 54.840 0.051 0.000 0.823 363 L CB 1.569 43.662 42.059 0.057 0.000 1.236 363 L HN 0.187 nan 8.230 nan 0.000 0.415 364 C N 1.448 120.853 119.300 0.174 0.000 3.228 364 C HA 0.347 4.807 4.460 0.000 0.000 0.290 364 C C -0.039 175.133 174.990 0.303 0.000 1.301 364 C CA -0.507 58.625 59.018 0.189 0.000 1.703 364 C CB -0.735 27.147 27.740 0.237 0.000 2.141 364 C HN 0.693 nan 8.230 nan 0.000 0.656 365 Y N 1.086 121.525 120.300 0.231 0.000 2.399 365 Y HA 0.647 5.197 4.550 0.000 0.000 0.327 365 Y C -0.648 175.481 175.900 0.382 0.000 1.111 365 Y CA -0.170 58.098 58.100 0.280 0.000 1.047 365 Y CB 1.259 39.873 38.460 0.258 0.000 1.259 365 Y HN 0.459 nan 8.280 nan 0.000 0.434 366 A N 5.995 129.006 122.820 0.319 0.000 2.594 366 A HA 0.873 5.193 4.320 0.000 0.000 0.295 366 A C -1.795 175.955 177.584 0.276 0.000 1.071 366 A CA -0.519 51.770 52.037 0.419 0.000 0.685 366 A CB 1.324 20.629 19.000 0.509 0.000 1.285 366 A HN 1.012 nan 8.150 nan 0.000 0.405 367 I N -1.082 119.724 120.570 0.393 0.000 2.802 367 I HA 0.812 4.982 4.170 0.000 0.000 0.298 367 I C 0.224 176.539 176.117 0.330 0.000 1.176 367 I CA -0.947 60.555 61.300 0.337 0.000 1.025 367 I CB 2.232 40.389 38.000 0.262 0.000 1.243 367 I HN 0.829 nan 8.210 nan 0.000 0.424 368 G N 2.153 111.188 108.800 0.392 0.000 2.334 368 G HA2 0.211 4.171 3.960 0.000 0.000 0.261 368 G HA3 0.211 4.171 3.960 0.000 0.000 0.261 368 G C -0.237 174.728 174.900 0.108 0.000 1.257 368 G CA 0.205 45.452 45.100 0.244 0.000 0.935 368 G HN 0.956 nan 8.290 nan 0.000 0.480 369 D N 0.769 121.186 120.400 0.028 0.000 2.498 369 D HA 0.346 4.986 4.640 0.000 0.000 0.223 369 D C 1.063 177.491 176.300 0.214 0.000 1.125 369 D CA 0.891 54.930 54.000 0.065 0.000 0.835 369 D CB 0.614 41.431 40.800 0.029 0.000 1.086 369 D HN 0.777 nan 8.370 nan 0.000 0.510 370 G N -1.445 107.481 108.800 0.211 0.000 2.325 370 G HA2 0.391 4.351 3.960 0.000 0.000 0.295 370 G HA3 0.391 4.351 3.960 0.000 0.000 0.295 370 G C -1.386 173.577 174.900 0.105 0.000 1.274 370 G CA -0.555 44.692 45.100 0.244 0.000 0.857 370 G HN -0.076 nan 8.290 nan 0.000 0.499 371 T N 1.076 115.663 114.554 0.056 0.000 2.937 371 T HA 0.610 4.960 4.350 0.000 0.000 0.297 371 T C 0.399 175.024 174.700 -0.125 0.000 0.991 371 T CA 0.110 62.187 62.100 -0.039 0.000 0.990 371 T CB 1.202 70.090 68.868 0.032 0.000 0.991 371 T HN 1.124 nan 8.240 nan 0.000 0.440 372 T N 1.520 115.901 114.554 -0.288 0.000 2.802 372 T HA 0.230 4.580 4.350 0.000 0.000 0.305 372 T C -1.600 173.090 174.700 -0.016 0.000 1.053 372 T CA -1.301 60.658 62.100 -0.236 0.000 1.058 372 T CB 0.254 68.973 68.868 -0.248 0.000 0.988 372 T HN 0.135 nan 8.240 nan 0.000 0.539 373 P HA -0.050 nan 4.420 nan 0.000 0.217 373 P C 1.489 178.805 177.300 0.026 0.000 1.148 373 P CA 1.414 64.542 63.100 0.047 0.000 0.828 373 P CB -0.352 31.381 31.700 0.055 0.000 0.783 374 A N -0.962 121.868 122.820 0.017 0.000 2.216 374 A HA 0.253 4.573 4.320 0.000 0.000 0.214 374 A C 1.710 179.300 177.584 0.010 0.000 1.160 374 A CA 1.173 53.218 52.037 0.013 0.000 0.725 374 A CB -1.462 17.546 19.000 0.014 0.000 0.784 374 A HN 0.284 nan 8.150 nan 0.000 0.472 375 G N -1.022 107.781 108.800 0.005 0.000 2.132 375 G HA2 -0.211 3.749 3.960 0.000 0.000 0.234 375 G HA3 -0.211 3.749 3.960 0.000 0.000 0.234 375 G C -0.285 174.616 174.900 0.003 0.000 0.989 375 G CA 0.078 45.184 45.100 0.008 0.000 0.676 375 G HN 0.539 nan 8.290 nan 0.000 0.522 376 N N 0.496 119.187 118.700 -0.014 0.000 2.456 376 N HA 0.476 5.216 4.740 0.000 0.000 0.296 376 N C 0.142 175.632 175.510 -0.034 0.000 1.102 376 N CA -0.179 52.863 53.050 -0.014 0.000 0.924 376 N CB 1.158 39.643 38.487 -0.003 0.000 1.186 376 N HN 0.083 nan 8.380 nan 0.000 0.492 377 T N 0.890 115.434 114.554 -0.017 0.000 2.930 377 T HA -0.023 4.327 4.350 0.000 0.000 0.306 377 T C 0.149 174.852 174.700 0.004 0.000 1.045 377 T CA 0.227 62.319 62.100 -0.013 0.000 1.134 377 T CB 0.071 68.922 68.868 -0.027 0.000 0.961 377 T HN 0.361 nan 8.240 nan 0.000 0.545 378 H N 3.617 122.627 119.070 -0.101 0.000 2.481 378 H HA 0.481 5.037 4.556 0.000 0.000 0.333 378 H C -1.139 174.220 175.328 0.052 0.000 1.066 378 H CA -0.952 55.056 56.048 -0.066 0.000 1.209 378 H CB 0.599 30.218 29.762 -0.238 0.000 1.445 378 H HN 0.399 nan 8.280 nan 0.000 0.488 379 L N 5.876 127.004 121.223 -0.159 0.000 2.307 379 L HA 0.343 4.684 4.340 0.000 0.000 0.284 379 L C -0.254 176.511 176.870 -0.175 0.000 1.023 379 L CA -1.037 53.709 54.840 -0.155 0.000 0.810 379 L CB 1.991 43.983 42.059 -0.112 0.000 1.231 379 L HN 0.343 nan 8.230 nan 0.000 0.423 380 V N 3.122 122.965 119.914 -0.117 0.000 2.398 380 V HA 0.486 4.606 4.120 0.000 0.000 0.286 380 V C -0.527 175.542 176.094 -0.042 0.000 1.026 380 V CA -0.252 61.999 62.300 -0.082 0.000 0.868 380 V CB 1.396 33.245 31.823 0.043 0.000 0.982 380 V HN 0.932 nan 8.190 nan 0.000 0.443 381 C N 6.501 125.670 119.300 -0.219 0.000 2.507 381 C HA 0.720 5.180 4.460 0.000 0.000 0.319 381 C C -0.639 174.171 174.990 -0.300 0.000 1.208 381 C CA -1.054 57.923 59.018 -0.068 0.000 1.619 381 C CB 0.893 28.660 27.740 0.046 0.000 2.230 381 C HN 0.751 nan 8.230 nan 0.000 0.492 382 F N 0.962 121.050 119.950 0.230 0.000 2.520 382 F HA 0.714 5.241 4.527 0.000 0.000 0.322 382 F C 0.679 176.577 175.800 0.164 0.000 1.103 382 F CA -0.108 58.017 58.000 0.208 0.000 0.926 382 F CB 1.958 41.103 39.000 0.242 0.000 1.154 382 F HN 0.816 nan 8.300 nan 0.000 0.453 383 G N 0.295 109.271 108.800 0.292 0.000 2.533 383 G HA2 0.653 4.613 3.960 0.000 0.000 0.304 383 G HA3 0.653 4.613 3.960 0.000 0.000 0.304 383 G C -0.990 174.024 174.900 0.189 0.000 1.263 383 G CA -0.708 44.498 45.100 0.177 0.000 0.964 383 G HN 0.692 nan 8.290 nan 0.000 0.479 384 T N -2.430 112.220 114.554 0.160 0.000 2.807 384 T HA 0.416 4.766 4.350 0.000 0.000 0.277 384 T C 0.290 175.115 174.700 0.208 0.000 1.006 384 T CA -0.300 61.894 62.100 0.157 0.000 1.006 384 T CB 1.968 70.896 68.868 0.101 0.000 1.274 384 T HN 0.206 nan 8.240 nan 0.000 0.569 385 D N -0.432 120.042 120.400 0.124 0.000 2.363 385 D HA 0.204 4.845 4.640 0.000 0.000 0.220 385 D C 2.070 178.406 176.300 0.060 0.000 0.994 385 D CA 0.896 54.936 54.000 0.066 0.000 0.890 385 D CB -0.408 40.354 40.800 -0.064 0.000 0.906 385 D HN 0.659 nan 8.370 nan 0.000 0.530 386 A N 0.073 122.937 122.820 0.074 0.000 1.972 386 A HA -0.098 4.222 4.320 0.000 0.000 0.219 386 A C 1.219 178.836 177.584 0.054 0.000 1.169 386 A CA 0.985 53.064 52.037 0.070 0.000 0.635 386 A CB 0.002 19.078 19.000 0.126 0.000 0.810 386 A HN 0.186 nan 8.150 nan 0.000 0.446 387 N N -0.917 117.826 118.700 0.070 0.000 2.751 387 N HA 0.180 4.920 4.740 0.000 0.000 0.238 387 N C -1.472 174.074 175.510 0.060 0.000 1.351 387 N CA -0.397 52.677 53.050 0.040 0.000 0.751 387 N CB 0.189 38.668 38.487 -0.013 0.000 1.342 387 N HN 0.417 nan 8.380 nan 0.000 0.540 388 H N 1.889 120.948 119.070 -0.018 0.000 2.511 388 H HA 0.619 5.175 4.556 0.000 0.000 0.346 388 H C -0.389 174.917 175.328 -0.037 0.000 1.128 388 H CA -0.108 55.928 56.048 -0.021 0.000 1.342 388 H CB 1.041 30.791 29.762 -0.021 0.000 1.470 388 H HN 0.475 nan 8.280 nan 0.000 0.546 389 I N 3.211 123.427 120.570 -0.590 0.000 2.647 389 I HA 0.231 4.401 4.170 0.000 0.000 0.295 389 I C -1.215 174.560 176.117 -0.570 0.000 1.078 389 I CA -0.931 60.119 61.300 -0.416 0.000 1.048 389 I CB 1.706 39.536 38.000 -0.283 0.000 1.239 389 I HN 0.538 nan 8.210 nan 0.000 0.421 390 Q N 8.431 128.064 119.800 -0.278 0.000 2.377 390 Q HA 0.283 4.623 4.340 0.000 0.000 0.249 390 Q C -1.897 173.919 176.000 -0.307 0.000 1.005 390 Q CA -2.026 53.654 55.803 -0.204 0.000 0.912 390 Q CB 1.284 29.984 28.738 -0.064 0.000 1.223 390 Q HN 0.469 nan 8.270 nan 0.000 0.459 391 P HA -0.180 nan 4.420 nan 0.000 0.221 391 P C 0.487 177.326 177.300 -0.769 0.000 1.145 391 P CA 1.264 63.897 63.100 -0.779 0.000 0.795 391 P CB 0.396 31.339 31.700 -1.261 0.000 0.775 392 D N -0.230 119.896 120.400 -0.457 0.000 2.346 392 D HA -0.073 4.567 4.640 0.000 0.000 0.206 392 D C 1.472 177.659 176.300 -0.187 0.000 1.001 392 D CA 0.346 54.171 54.000 -0.292 0.000 0.871 392 D CB -0.384 40.033 40.800 -0.639 0.000 0.943 392 D HN 0.214 nan 8.370 nan 0.000 0.518 393 E N 0.283 120.384 120.200 -0.164 0.000 2.106 393 E HA -0.084 4.266 4.350 0.000 0.000 0.192 393 E C 0.055 176.606 176.600 -0.082 0.000 0.984 393 E CA 0.899 57.242 56.400 -0.096 0.000 0.806 393 E CB 0.205 29.858 29.700 -0.078 0.000 0.750 393 E HN 0.123 nan 8.360 nan 0.000 0.458 394 D N -0.671 119.661 120.400 -0.113 0.000 2.319 394 D HA 0.059 4.699 4.640 0.000 0.000 0.237 394 D C 0.584 176.794 176.300 -0.149 0.000 1.353 394 D CA -0.220 53.721 54.000 -0.098 0.000 0.992 394 D CB 1.378 42.129 40.800 -0.082 0.000 1.368 394 D HN -0.229 nan 8.370 nan 0.000 0.564 395 V N 4.581 124.402 119.914 -0.155 0.000 2.380 395 V HA -0.251 3.869 4.120 0.000 0.000 0.251 395 V C 2.512 178.415 176.094 -0.318 0.000 1.063 395 V CA 1.646 63.776 62.300 -0.283 0.000 1.055 395 V CB -0.398 31.186 31.823 -0.399 0.000 0.657 395 V HN 0.540 nan 8.190 nan 0.000 0.455 396 R N -0.402 119.971 120.500 -0.212 0.000 2.105 396 R HA -0.173 4.167 4.340 0.000 0.000 0.239 396 R C 2.349 178.558 176.300 -0.153 0.000 1.135 396 R CA 1.388 57.386 56.100 -0.169 0.000 0.967 396 R CB -0.342 29.903 30.300 -0.091 0.000 0.861 396 R HN 0.518 nan 8.270 nan 0.000 0.442 397 E N 0.107 120.222 120.200 -0.142 0.000 2.047 397 E HA -0.106 4.244 4.350 0.000 0.000 0.191 397 E C 2.035 178.541 176.600 -0.157 0.000 0.987 397 E CA 1.493 57.816 56.400 -0.128 0.000 0.799 397 E CB -0.186 29.443 29.700 -0.118 0.000 0.752 397 E HN 0.277 nan 8.360 nan 0.000 0.449 398 T N 2.177 116.603 114.554 -0.214 0.000 2.652 398 T HA -0.147 4.203 4.350 0.000 0.000 0.267 398 T C 2.157 176.742 174.700 -0.192 0.000 1.039 398 T CA 1.122 63.075 62.100 -0.244 0.000 1.153 398 T CB -0.383 68.276 68.868 -0.348 0.000 0.863 398 T HN 0.109 nan 8.240 nan 0.000 0.428 399 L N 0.618 121.703 121.223 -0.230 0.000 2.127 399 L HA -0.137 4.203 4.340 0.000 0.000 0.211 399 L C 2.842 179.647 176.870 -0.108 0.000 1.089 399 L CA 1.245 55.975 54.840 -0.183 0.000 0.757 399 L CB -0.500 41.396 42.059 -0.272 0.000 0.899 399 L HN 0.163 nan 8.230 nan 0.000 0.434 400 K N 0.410 120.745 120.400 -0.107 0.000 2.025 400 K HA -0.159 4.161 4.320 0.000 0.000 0.207 400 K C 2.163 178.741 176.600 -0.037 0.000 1.049 400 K CA 1.469 57.714 56.287 -0.070 0.000 0.933 400 K CB -0.121 32.339 32.500 -0.066 0.000 0.714 400 K HN 0.267 nan 8.250 nan 0.000 0.438 401 A N 0.933 123.725 122.820 -0.046 0.000 1.908 401 A HA -0.142 4.178 4.320 0.000 0.000 0.218 401 A C 2.377 179.975 177.584 0.023 0.000 1.181 401 A CA 1.866 53.887 52.037 -0.026 0.000 0.627 401 A CB -0.770 18.189 19.000 -0.067 0.000 0.818 401 A HN 0.158 nan 8.150 nan 0.000 0.445 402 V N -0.124 119.808 119.914 0.031 0.000 2.287 402 V HA -0.211 3.910 4.120 0.000 0.000 0.248 402 V C 2.825 179.038 176.094 0.198 0.000 1.053 402 V CA 2.094 64.475 62.300 0.135 0.000 1.027 402 V CB -1.477 30.437 31.823 0.152 0.000 0.646 402 V HN 0.630 nan 8.190 nan 0.000 0.447 403 G N -1.166 107.656 108.800 0.037 0.000 2.422 403 G HA2 -0.249 3.711 3.960 0.000 0.000 0.218 403 G HA3 -0.249 3.711 3.960 0.000 0.000 0.218 403 G C 1.428 176.301 174.900 -0.045 0.000 1.146 403 G CA 0.550 45.562 45.100 -0.146 0.000 0.769 403 G HN 0.571 nan 8.290 nan 0.000 0.547 404 Q N -0.310 119.521 119.800 0.051 0.000 2.436 404 Q HA 0.160 4.500 4.340 0.000 0.000 0.209 404 Q C 2.387 178.508 176.000 0.201 0.000 0.965 404 Q CA 0.103 55.986 55.803 0.132 0.000 0.910 404 Q CB -0.084 28.774 28.738 0.200 0.000 0.980 404 Q HN 0.451 nan 8.270 nan 0.000 0.491 405 L N -0.309 121.049 121.223 0.225 0.000 2.201 405 L HA -0.087 4.253 4.340 0.000 0.000 0.212 405 L C 0.917 178.055 176.870 0.447 0.000 1.105 405 L CA 0.750 55.806 54.840 0.360 0.000 0.775 405 L CB 0.148 42.497 42.059 0.483 0.000 0.913 405 L HN 0.052 nan 8.230 nan 0.000 0.440 406 A N -1.017 121.978 122.820 0.291 0.000 3.277 406 A HA 0.434 4.754 4.320 0.000 0.000 0.281 406 A C -2.638 174.971 177.584 0.042 0.000 1.179 406 A CA -0.852 51.328 52.037 0.239 0.000 0.879 406 A CB -0.181 18.917 19.000 0.163 0.000 1.374 406 A HN -0.161 nan 8.150 nan 0.000 0.590 407 P HA 0.304 nan 4.420 nan 0.000 0.265 407 P C 1.222 178.481 177.300 -0.069 0.000 1.193 407 P CA 2.103 65.168 63.100 -0.058 0.000 0.765 407 P CB 0.750 32.447 31.700 -0.005 0.000 0.823 408 G N 2.354 111.070 108.800 -0.141 0.000 2.168 408 G HA2 -0.300 3.660 3.960 0.000 0.000 0.257 408 G HA3 -0.300 3.660 3.960 0.000 0.000 0.257 408 G C 0.729 175.584 174.900 -0.076 0.000 0.997 408 G CA 0.838 45.878 45.100 -0.100 0.000 0.708 408 G HN 0.696 nan 8.290 nan 0.000 0.520 409 T N -2.775 111.712 114.554 -0.111 0.000 2.985 409 T HA 0.593 4.943 4.350 0.000 0.000 0.254 409 T C 0.449 175.208 174.700 0.098 0.000 1.021 409 T CA 0.870 62.980 62.100 0.018 0.000 0.957 409 T CB 0.192 69.125 68.868 0.107 0.000 1.047 409 T HN 1.547 nan 8.240 nan 0.000 0.511 410 F N -0.769 119.148 119.950 -0.054 0.000 2.668 410 F HA 0.832 5.359 4.527 0.000 0.000 0.309 410 F C -0.416 175.374 175.800 -0.016 0.000 1.117 410 F CA -1.707 56.265 58.000 -0.046 0.000 0.951 410 F CB 0.889 39.836 39.000 -0.089 0.000 1.323 410 F HN 0.086 nan 8.300 nan 0.000 0.451 411 G N 0.794 109.719 108.800 0.208 0.000 2.441 411 G HA2 0.592 4.552 3.960 0.000 0.000 0.334 411 G HA3 0.592 4.552 3.960 0.000 0.000 0.334 411 G C -1.733 173.361 174.900 0.324 0.000 1.161 411 G CA -1.136 44.066 45.100 0.170 0.000 0.935 411 G HN 0.686 nan 8.290 nan 0.000 0.488 412 V N 1.533 121.623 119.914 0.294 0.000 2.383 412 V HA 0.257 4.377 4.120 0.000 0.000 0.275 412 V C 0.886 177.173 176.094 0.321 0.000 1.036 412 V CA -0.397 62.103 62.300 0.334 0.000 0.889 412 V CB 1.463 33.486 31.823 0.333 0.000 0.985 412 V HN 0.881 nan 8.190 nan 0.000 0.459 413 K N 3.143 123.687 120.400 0.240 0.000 2.284 413 K HA 0.222 4.542 4.320 0.000 0.000 0.198 413 K C 0.792 177.482 176.600 0.151 0.000 1.048 413 K CA 0.362 56.742 56.287 0.156 0.000 0.987 413 K CB 0.517 33.073 32.500 0.094 0.000 0.800 413 K HN 0.598 nan 8.250 nan 0.000 0.486 414 R N 0.494 121.140 120.500 0.243 0.000 2.604 414 R HA 0.265 4.605 4.340 0.000 0.000 0.261 414 R C -1.963 174.517 176.300 0.299 0.000 1.080 414 R CA -0.449 55.792 56.100 0.235 0.000 0.917 414 R CB 0.923 31.261 30.300 0.064 0.000 1.252 414 R HN -0.064 nan 8.270 nan 0.000 0.456 415 L N 3.688 125.136 121.223 0.374 0.000 2.334 415 L HA 0.717 5.057 4.340 0.000 0.000 0.276 415 L C -0.780 176.193 176.870 0.171 0.000 1.014 415 L CA -1.201 53.833 54.840 0.324 0.000 0.815 415 L CB 2.212 44.518 42.059 0.411 0.000 1.268 415 L HN 0.335 nan 8.230 nan 0.000 0.428 416 V N 3.345 123.354 119.914 0.158 0.000 2.686 416 V HA 0.626 4.746 4.120 0.000 0.000 0.306 416 V C -0.899 175.371 176.094 0.292 0.000 1.065 416 V CA -0.595 61.685 62.300 -0.032 0.000 0.894 416 V CB 1.765 33.340 31.823 -0.413 0.000 1.004 416 V HN 0.655 nan 8.190 nan 0.000 0.424 417 F N 1.644 121.695 119.950 0.168 0.000 2.744 417 F HA 0.769 5.296 4.527 0.000 0.000 0.311 417 F C -1.238 174.703 175.800 0.235 0.000 1.144 417 F CA -1.010 57.101 58.000 0.185 0.000 0.938 417 F CB 1.494 40.545 39.000 0.085 0.000 1.292 417 F HN 0.575 nan 8.300 nan 0.000 0.444 418 H N 1.155 120.402 119.070 0.295 0.000 2.538 418 H HA 0.443 4.999 4.556 0.000 0.000 0.353 418 H C -1.359 173.941 175.328 -0.046 0.000 1.109 418 H CA -0.777 55.333 56.048 0.104 0.000 1.192 418 H CB 1.387 31.066 29.762 -0.139 0.000 1.555 418 H HN 0.765 nan 8.280 nan 0.000 0.518 419 N N 4.521 122.909 118.700 -0.520 0.000 2.415 419 N HA -0.013 4.727 4.740 0.000 0.000 0.246 419 N C -0.108 175.135 175.510 -0.446 0.000 1.078 419 N CA -0.144 52.722 53.050 -0.307 0.000 0.942 419 N CB 0.246 38.671 38.487 -0.103 0.000 1.140 419 N HN 0.735 nan 8.380 nan 0.000 0.501 420 W N 2.703 124.070 121.300 0.111 0.000 2.523 420 W HA 0.008 4.668 4.660 0.000 0.000 0.278 420 W C 2.005 178.607 176.519 0.139 0.000 1.236 420 W CA -0.038 57.437 57.345 0.216 0.000 1.306 420 W CB 0.119 29.754 29.460 0.292 0.000 1.101 420 W HN 0.360 nan 8.180 nan 0.000 0.577 421 V N 0.674 120.760 119.914 0.286 0.000 2.427 421 V HA -0.228 3.892 4.120 0.000 0.000 0.248 421 V C 1.806 177.958 176.094 0.098 0.000 1.051 421 V CA 1.719 64.118 62.300 0.164 0.000 1.048 421 V CB -0.570 31.333 31.823 0.133 0.000 0.666 421 V HN 0.141 nan 8.190 nan 0.000 0.456 422 K N -0.434 120.007 120.400 0.069 0.000 2.393 422 K HA 0.044 4.364 4.320 0.000 0.000 0.193 422 K C 0.516 177.121 176.600 0.008 0.000 1.026 422 K CA -0.118 56.185 56.287 0.025 0.000 1.064 422 K CB 0.119 32.629 32.500 0.016 0.000 0.833 422 K HN 0.324 nan 8.250 nan 0.000 0.521 423 D N 2.256 122.681 120.400 0.042 0.000 2.358 423 D HA -0.066 4.574 4.640 0.000 0.000 0.258 423 D C 0.891 177.210 176.300 0.032 0.000 1.223 423 D CA 0.135 54.178 54.000 0.071 0.000 0.886 423 D CB 0.992 41.938 40.800 0.243 0.000 1.120 423 D HN 0.293 nan 8.370 nan 0.000 0.482 424 E N 3.055 123.151 120.200 -0.174 0.000 2.338 424 E HA -0.170 4.180 4.350 0.000 0.000 0.197 424 E C 0.399 176.794 176.600 -0.341 0.000 1.007 424 E CA 0.868 57.065 56.400 -0.339 0.000 0.849 424 E CB -0.182 29.177 29.700 -0.568 0.000 0.774 424 E HN 0.362 nan 8.360 nan 0.000 0.506 425 F N -0.096 119.947 119.950 0.154 0.000 2.641 425 F HA 0.501 5.028 4.527 0.000 0.000 0.302 425 F C 1.386 177.323 175.800 0.228 0.000 1.098 425 F CA 0.065 58.162 58.000 0.162 0.000 1.318 425 F CB 0.930 40.003 39.000 0.122 0.000 1.035 425 F HN 0.191 nan 8.300 nan 0.000 0.551 426 A N -0.398 122.647 122.820 0.376 0.000 1.853 426 A HA 0.224 4.544 4.320 0.000 0.000 0.204 426 A C 1.133 178.895 177.584 0.296 0.000 1.724 426 A CA -0.187 52.091 52.037 0.401 0.000 1.105 426 A CB 0.233 19.608 19.000 0.624 0.000 1.101 426 A HN 0.052 nan 8.150 nan 0.000 0.495 427 K N -0.072 120.467 120.400 0.232 0.000 3.148 427 K HA -0.095 4.225 4.320 0.000 0.000 0.267 427 K C 0.287 176.942 176.600 0.091 0.000 0.996 427 K CA 0.539 56.901 56.287 0.126 0.000 0.737 427 K CB -2.121 30.422 32.500 0.071 0.000 1.308 427 K HN 1.815 nan 8.250 nan 0.000 0.470 428 G N -1.873 107.038 108.800 0.186 0.000 2.351 428 G HA2 0.382 4.343 3.960 0.000 0.000 0.353 428 G HA3 0.382 4.343 3.960 0.000 0.000 0.353 428 G C -0.914 174.147 174.900 0.268 0.000 1.358 428 G CA -0.342 44.852 45.100 0.157 0.000 0.995 428 G HN 0.469 nan 8.290 nan 0.000 0.611 429 A N -0.743 122.154 122.820 0.128 0.000 3.158 429 A HA 0.901 5.221 4.320 0.000 0.000 0.217 429 A C 0.419 177.966 177.584 -0.061 0.000 1.469 429 A CA 0.192 52.191 52.037 -0.062 0.000 0.885 429 A CB -0.303 18.489 19.000 -0.346 0.000 1.662 429 A HN 2.219 nan 8.150 nan 0.000 0.512 430 W N -1.472 119.821 121.300 -0.011 0.000 2.430 430 W HA 0.258 4.918 4.660 0.000 0.000 0.346 430 W C -0.301 176.094 176.519 -0.207 0.000 1.230 430 W CA -0.557 56.757 57.345 -0.052 0.000 1.367 430 W CB -0.255 29.178 29.460 -0.044 0.000 1.204 430 W HN 0.442 nan 8.180 nan 0.000 0.599 431 F N 3.922 123.771 119.950 -0.169 0.000 2.504 431 F HA 0.348 4.875 4.527 0.000 0.000 0.369 431 F C -0.886 174.961 175.800 0.078 0.000 1.082 431 F CA -0.591 57.114 58.000 -0.491 0.000 1.216 431 F CB 0.067 38.983 39.000 -0.140 0.000 1.108 431 F HN 0.318 nan 8.300 nan 0.000 0.554 432 F N 5.209 124.689 119.950 -0.783 0.000 2.561 432 F HA 0.418 4.945 4.527 0.000 0.000 0.313 432 F C -0.509 174.834 175.800 -0.763 0.000 1.126 432 F CA -0.641 57.060 58.000 -0.498 0.000 0.918 432 F CB 1.589 40.504 39.000 -0.141 0.000 1.199 432 F HN 0.541 nan 8.300 nan 0.000 0.444 433 S N 4.531 119.762 115.700 -0.780 0.000 2.632 433 S HA 0.642 5.112 4.470 0.000 0.000 0.271 433 S C -0.084 174.437 174.600 -0.131 0.000 1.260 433 S CA -0.961 56.959 58.200 -0.467 0.000 1.010 433 S CB 1.350 64.445 63.200 -0.176 0.000 0.965 433 S HN 0.726 nan 8.310 nan 0.000 0.534 434 R N 0.827 121.290 120.500 -0.062 0.000 2.679 434 R HA 0.302 4.642 4.340 0.000 0.000 0.269 434 R C -2.561 173.743 176.300 0.007 0.000 1.076 434 R CA -1.639 54.452 56.100 -0.015 0.000 1.160 434 R CB -0.397 29.902 30.300 -0.003 0.000 1.054 434 R HN 0.422 nan 8.270 nan 0.000 0.507 435 P HA -0.098 nan 4.420 nan 0.000 0.260 435 P C 0.566 177.885 177.300 0.033 0.000 1.172 435 P CA 1.337 64.458 63.100 0.034 0.000 0.760 435 P CB 0.468 32.188 31.700 0.033 0.000 0.773 436 G N 3.429 112.253 108.800 0.039 0.000 2.304 436 G HA2 -0.415 3.546 3.960 0.000 0.000 0.252 436 G HA3 -0.415 3.546 3.960 0.000 0.000 0.252 436 G C 1.032 175.974 174.900 0.069 0.000 1.014 436 G CA 0.512 45.641 45.100 0.049 0.000 0.619 436 G HN 0.547 nan 8.290 nan 0.000 0.525 437 M N 0.643 120.285 119.600 0.070 0.000 2.080 437 M HA -0.014 4.466 4.480 0.000 0.000 0.260 437 M C 2.463 178.842 176.300 0.131 0.000 1.068 437 M CA 2.755 58.115 55.300 0.099 0.000 1.109 437 M CB -0.260 32.407 32.600 0.112 0.000 1.342 437 M HN 0.216 nan 8.290 nan 0.000 0.405 438 V N 0.175 120.175 119.914 0.143 0.000 2.261 438 V HA -0.253 3.867 4.120 0.000 0.000 0.246 438 V C 2.443 178.594 176.094 0.095 0.000 1.047 438 V CA 2.100 64.477 62.300 0.127 0.000 1.015 438 V CB -0.815 31.073 31.823 0.109 0.000 0.642 438 V HN 0.589 nan 8.190 nan 0.000 0.446 439 S N -0.725 115.052 115.700 0.128 0.000 2.393 439 S HA -0.364 4.106 4.470 0.000 0.000 0.235 439 S C 2.050 176.798 174.600 0.248 0.000 1.061 439 S CA 2.456 60.809 58.200 0.255 0.000 1.129 439 S CB -0.377 62.974 63.200 0.252 0.000 1.011 439 S HN 0.762 nan 8.310 nan 0.000 0.436 440 E N -0.738 119.551 120.200 0.148 0.000 2.046 440 E HA -0.121 4.229 4.350 0.000 0.000 0.190 440 E C 1.596 178.239 176.600 0.071 0.000 0.982 440 E CA 1.464 57.924 56.400 0.100 0.000 0.800 440 E CB -0.013 29.726 29.700 0.065 0.000 0.756 440 E HN 0.583 nan 8.360 nan 0.000 0.449 441 C N 0.308 119.644 119.300 0.059 0.000 3.070 441 C HA 0.224 4.684 4.460 0.000 0.000 0.280 441 C C 2.163 177.139 174.990 -0.023 0.000 1.264 441 C CA -0.663 58.359 59.018 0.007 0.000 1.690 441 C CB -0.604 27.137 27.740 0.002 0.000 2.049 441 C HN 0.450 nan 8.230 nan 0.000 0.636 442 L N 1.708 122.939 121.223 0.013 0.000 2.042 442 L HA -0.206 4.134 4.340 0.000 0.000 0.210 442 L C 2.660 179.512 176.870 -0.030 0.000 1.076 442 L CA 2.012 56.845 54.840 -0.012 0.000 0.749 442 L CB -0.703 41.348 42.059 -0.013 0.000 0.893 442 L HN 0.421 nan 8.230 nan 0.000 0.432 443 Q N -1.092 118.710 119.800 0.003 0.000 2.084 443 Q HA -0.160 4.180 4.340 0.000 0.000 0.202 443 Q C 2.004 177.963 176.000 -0.067 0.000 0.978 443 Q CA 1.577 57.380 55.803 -0.001 0.000 0.844 443 Q CB -0.401 28.367 28.738 0.050 0.000 0.898 443 Q HN 0.630 nan 8.270 nan 0.000 0.426 444 G N 0.614 109.355 108.800 -0.099 0.000 2.422 444 G HA2 -0.173 3.787 3.960 0.000 0.000 0.218 444 G HA3 -0.173 3.787 3.960 0.000 0.000 0.218 444 G C 1.292 175.998 174.900 -0.324 0.000 1.140 444 G CA 0.291 45.287 45.100 -0.173 0.000 0.775 444 G HN 0.302 nan 8.290 nan 0.000 0.545 445 L N -0.663 120.324 121.223 -0.394 0.000 2.395 445 L HA 0.179 4.519 4.340 0.000 0.000 0.218 445 L C 2.720 179.022 176.870 -0.947 0.000 1.130 445 L CA 0.348 54.726 54.840 -0.771 0.000 0.826 445 L CB 0.083 41.723 42.059 -0.698 0.000 0.941 445 L HN 0.123 nan 8.230 nan 0.000 0.451 446 R N -0.350 119.890 120.500 -0.435 0.000 2.362 446 R HA 0.062 4.402 4.340 0.000 0.000 0.227 446 R C 0.512 176.780 176.300 -0.054 0.000 0.905 446 R CA -0.132 55.877 56.100 -0.152 0.000 1.067 446 R CB 0.353 30.668 30.300 0.024 0.000 1.078 446 R HN 0.366 nan 8.270 nan 0.000 0.516 447 E N 2.113 122.254 120.200 -0.098 0.000 2.349 447 E HA 0.128 4.478 4.350 0.000 0.000 0.262 447 E C -0.829 175.808 176.600 0.061 0.000 1.088 447 E CA -0.553 55.838 56.400 -0.014 0.000 0.899 447 E CB 0.879 30.559 29.700 -0.033 0.000 1.044 447 E HN -0.124 nan 8.360 nan 0.000 0.420 448 K N 1.581 122.030 120.400 0.082 0.000 2.326 448 K HA 0.065 4.385 4.320 0.000 0.000 0.275 448 K C 0.024 176.738 176.600 0.191 0.000 1.018 448 K CA -0.138 56.220 56.287 0.119 0.000 0.962 448 K CB 0.520 33.064 32.500 0.073 0.000 0.953 448 K HN 0.557 nan 8.250 nan 0.000 0.475 449 H N 1.354 120.468 119.070 0.074 0.000 2.379 449 H HA 0.114 4.670 4.556 0.000 0.000 0.229 449 H C 0.561 175.910 175.328 0.035 0.000 1.423 449 H CA 0.361 56.456 56.048 0.078 0.000 1.375 449 H CB 0.189 30.071 29.762 0.199 0.000 1.592 449 H HN 1.027 nan 8.280 nan 0.000 0.507 450 G N 1.652 110.375 108.800 -0.128 0.000 2.565 450 G HA2 -0.390 3.570 3.960 0.000 0.000 0.295 450 G HA3 -0.390 3.570 3.960 0.000 0.000 0.295 450 G C 1.119 175.971 174.900 -0.081 0.000 1.165 450 G CA 0.093 45.108 45.100 -0.141 0.000 0.977 450 G HN 0.650 nan 8.290 nan 0.000 0.546 451 G N -0.347 108.403 108.800 -0.083 0.000 3.181 451 G HA2 0.467 4.427 3.960 0.000 0.000 0.219 451 G HA3 0.467 4.427 3.960 0.000 0.000 0.219 451 G C 0.223 175.083 174.900 -0.067 0.000 1.182 451 G CA 1.072 46.140 45.100 -0.054 0.000 0.791 451 G HN 1.203 nan 8.290 nan 0.000 0.537 452 V N 1.440 121.300 119.914 -0.090 0.000 2.370 452 V HA 0.306 4.426 4.120 0.000 0.000 0.283 452 V C -0.158 175.823 176.094 -0.189 0.000 1.023 452 V CA -0.791 61.405 62.300 -0.172 0.000 0.857 452 V CB 1.676 33.350 31.823 -0.247 0.000 0.985 452 V HN -0.031 nan 8.190 nan 0.000 0.443 453 V N 5.624 125.434 119.914 -0.175 0.000 2.383 453 V HA 0.402 4.522 4.120 0.000 0.000 0.275 453 V C -0.329 175.696 176.094 -0.115 0.000 1.036 453 V CA -0.367 61.889 62.300 -0.073 0.000 0.889 453 V CB 0.790 32.606 31.823 -0.011 0.000 0.985 453 V HN 0.629 nan 8.190 nan 0.000 0.459 454 F N 3.626 123.649 119.950 0.121 0.000 2.404 454 F HA 0.672 5.199 4.527 0.000 0.000 0.358 454 F C 0.598 176.720 175.800 0.536 0.000 1.120 454 F CA -0.156 57.990 58.000 0.243 0.000 1.144 454 F CB 1.229 40.211 39.000 -0.030 0.000 1.133 454 F HN 0.570 nan 8.300 nan 0.000 0.495 455 A N 4.676 127.892 122.820 0.661 0.000 2.408 455 A HA 0.660 4.980 4.320 0.000 0.000 0.295 455 A C -1.093 176.434 177.584 -0.094 0.000 1.040 455 A CA -0.572 51.664 52.037 0.331 0.000 0.707 455 A CB 1.397 20.480 19.000 0.139 0.000 1.235 455 A HN 0.703 nan 8.150 nan 0.000 0.418 456 N N 1.014 119.218 118.700 -0.827 0.000 2.598 456 N HA 0.124 4.864 4.740 0.000 0.000 0.263 456 N C 0.674 175.648 175.510 -0.892 0.000 1.254 456 N CA 0.208 52.702 53.050 -0.926 0.000 0.863 456 N CB 2.278 39.992 38.487 -1.289 0.000 1.586 456 N HN 0.463 nan 8.380 nan 0.000 0.491 457 S N 1.088 116.523 115.700 -0.442 0.000 2.420 457 S HA -0.157 4.313 4.470 0.000 0.000 0.237 457 S C 0.737 175.136 174.600 -0.335 0.000 1.023 457 S CA 1.684 59.723 58.200 -0.269 0.000 0.991 457 S CB -0.183 62.978 63.200 -0.066 0.000 0.792 457 S HN 0.570 nan 8.310 nan 0.000 0.488 458 D N 0.259 120.368 120.400 -0.485 0.000 2.265 458 D HA -0.105 4.535 4.640 0.000 0.000 0.208 458 D C 0.888 176.807 176.300 -0.634 0.000 0.977 458 D CA 1.116 54.822 54.000 -0.491 0.000 0.871 458 D CB -0.239 40.429 40.800 -0.220 0.000 0.925 458 D HN 0.927 nan 8.370 nan 0.000 0.485 459 W N -0.133 120.970 121.300 -0.328 0.000 2.128 459 W HA 0.735 5.395 4.660 0.000 0.000 0.356 459 W C -0.210 176.222 176.519 -0.146 0.000 0.891 459 W CA -1.282 55.888 57.345 -0.293 0.000 2.408 459 W CB -0.543 28.781 29.460 -0.226 0.000 1.234 459 W HN -0.172 nan 8.180 nan 0.000 0.597 460 A N 1.047 123.787 122.820 -0.132 0.000 2.327 460 A HA 0.402 4.722 4.320 0.000 0.000 0.255 460 A C 0.787 178.377 177.584 0.010 0.000 1.099 460 A CA 0.078 52.094 52.037 -0.035 0.000 0.801 460 A CB 0.702 19.684 19.000 -0.030 0.000 1.062 460 A HN 0.387 nan 8.150 nan 0.000 0.496 461 L N 0.426 121.680 121.223 0.052 0.000 2.316 461 L HA 0.199 4.539 4.340 0.000 0.000 0.207 461 L C 2.088 178.960 176.870 0.005 0.000 1.070 461 L CA 2.088 56.960 54.840 0.053 0.000 0.820 461 L CB -1.243 40.897 42.059 0.135 0.000 0.992 461 L HN 0.871 nan 8.230 nan 0.000 0.466 462 G N -2.231 106.571 108.800 0.003 0.000 2.593 462 G HA2 -0.098 3.862 3.960 0.000 0.000 0.212 462 G HA3 -0.098 3.862 3.960 0.000 0.000 0.212 462 G C -0.432 174.333 174.900 -0.224 0.000 1.934 462 G CA -0.318 44.576 45.100 -0.344 0.000 0.861 462 G HN 0.238 nan 8.290 nan 0.000 0.629 463 W N 2.745 124.027 121.300 -0.030 0.000 1.435 463 W HA 0.456 5.116 4.660 0.000 0.000 0.471 463 W C 1.030 177.655 176.519 0.178 0.000 0.590 463 W CA -0.831 56.474 57.345 -0.067 0.000 2.419 463 W CB -0.268 29.058 29.460 -0.223 0.000 1.251 463 W HN 0.090 nan 8.180 nan 0.000 0.338 464 R N 1.981 122.668 120.500 0.311 0.000 2.538 464 R HA 0.075 4.415 4.340 0.000 0.000 0.282 464 R C 1.286 177.805 176.300 0.365 0.000 1.009 464 R CA 1.519 57.763 56.100 0.239 0.000 1.063 464 R CB 0.430 30.803 30.300 0.122 0.000 0.945 464 R HN 0.434 nan 8.270 nan 0.000 0.414 465 S N 1.561 117.396 115.700 0.225 0.000 2.990 465 S HA -0.156 4.314 4.470 0.000 0.000 0.273 465 S C -0.517 174.009 174.600 -0.124 0.000 1.323 465 S CA 0.644 58.943 58.200 0.164 0.000 1.084 465 S CB -2.149 61.272 63.200 0.369 0.000 1.323 465 S HN 0.493 nan 8.310 nan 0.000 0.682 466 F N 0.528 120.505 119.950 0.046 0.000 2.523 466 F HA 0.675 5.202 4.527 0.000 0.000 0.329 466 F C 1.884 177.696 175.800 0.020 0.000 1.061 466 F CA -0.839 57.147 58.000 -0.023 0.000 0.967 466 F CB 0.561 39.511 39.000 -0.083 0.000 1.218 466 F HN -0.007 nan 8.300 nan 0.000 0.480 467 I N 0.607 121.296 120.570 0.199 0.000 2.181 467 I HA -0.378 3.792 4.170 0.000 0.000 0.247 467 I C 2.265 178.453 176.117 0.117 0.000 1.081 467 I CA 1.811 63.188 61.300 0.128 0.000 1.340 467 I CB -0.266 37.760 38.000 0.044 0.000 1.036 467 I HN 0.721 nan 8.210 nan 0.000 0.417 468 D N 0.864 121.344 120.400 0.134 0.000 2.123 468 D HA -0.174 4.466 4.640 0.000 0.000 0.196 468 D C 2.152 178.555 176.300 0.172 0.000 0.992 468 D CA 1.772 55.857 54.000 0.141 0.000 0.833 468 D CB -0.054 40.739 40.800 -0.012 0.000 0.954 468 D HN 0.422 nan 8.370 nan 0.000 0.455 469 G N 0.652 109.574 108.800 0.202 0.000 2.402 469 G HA2 -0.152 3.808 3.960 0.000 0.000 0.216 469 G HA3 -0.152 3.808 3.960 0.000 0.000 0.216 469 G C 1.792 176.687 174.900 -0.008 0.000 1.162 469 G CA 1.282 46.444 45.100 0.103 0.000 0.777 469 G HN 0.421 nan 8.290 nan 0.000 0.539 470 A N 0.971 123.805 122.820 0.023 0.000 1.903 470 A HA -0.102 4.218 4.320 0.000 0.000 0.219 470 A C 2.409 179.991 177.584 -0.004 0.000 1.191 470 A CA 1.651 53.687 52.037 -0.002 0.000 0.638 470 A CB -0.423 18.630 19.000 0.087 0.000 0.823 470 A HN 0.406 nan 8.150 nan 0.000 0.451 471 I N -1.115 119.476 120.570 0.035 0.000 2.233 471 I HA -0.227 3.943 4.170 0.000 0.000 0.243 471 I C 2.499 178.595 176.117 -0.035 0.000 1.093 471 I CA 1.525 62.862 61.300 0.061 0.000 1.380 471 I CB -0.512 37.599 38.000 0.184 0.000 1.067 471 I HN 0.549 nan 8.210 nan 0.000 0.413 472 E N 1.250 121.287 120.200 -0.271 0.000 2.095 472 E HA -0.319 4.031 4.350 0.000 0.000 0.212 472 E C 2.092 178.596 176.600 -0.160 0.000 1.044 472 E CA 1.935 58.043 56.400 -0.486 0.000 0.857 472 E CB 0.025 29.354 29.700 -0.618 0.000 0.764 472 E HN 0.361 nan 8.360 nan 0.000 0.462 473 E N -0.614 119.516 120.200 -0.116 0.000 2.072 473 E HA -0.123 4.228 4.350 0.000 0.000 0.191 473 E C 2.074 178.662 176.600 -0.019 0.000 0.985 473 E CA 1.056 57.417 56.400 -0.064 0.000 0.801 473 E CB -0.549 29.067 29.700 -0.139 0.000 0.750 473 E HN 0.479 nan 8.360 nan 0.000 0.452 474 G N 0.419 109.208 108.800 -0.019 0.000 2.432 474 G HA2 -0.241 3.719 3.960 0.000 0.000 0.219 474 G HA3 -0.241 3.719 3.960 0.000 0.000 0.219 474 G C 1.658 176.579 174.900 0.035 0.000 1.135 474 G CA 1.450 46.555 45.100 0.009 0.000 0.767 474 G HN 0.244 nan 8.290 nan 0.000 0.550 475 T N -0.051 114.531 114.554 0.046 0.000 2.812 475 T HA -0.014 4.336 4.350 0.000 0.000 0.264 475 T C 2.292 177.026 174.700 0.057 0.000 1.042 475 T CA 0.974 63.117 62.100 0.071 0.000 1.140 475 T CB -0.055 68.876 68.868 0.106 0.000 0.870 475 T HN 0.288 nan 8.240 nan 0.000 0.445 476 R N 1.120 121.646 120.500 0.044 0.000 2.083 476 R HA -0.074 4.266 4.340 0.000 0.000 0.237 476 R C 2.578 178.906 176.300 0.046 0.000 1.137 476 R CA 1.565 57.696 56.100 0.051 0.000 0.951 476 R CB -0.475 29.860 30.300 0.058 0.000 0.851 476 R HN 0.368 nan 8.270 nan 0.000 0.434 477 A N 0.472 123.317 122.820 0.042 0.000 1.933 477 A HA -0.061 4.259 4.320 0.000 0.000 0.218 477 A C 2.277 179.858 177.584 -0.005 0.000 1.175 477 A CA 1.585 53.639 52.037 0.029 0.000 0.628 477 A CB -0.603 18.417 19.000 0.032 0.000 0.814 477 A HN 0.545 nan 8.150 nan 0.000 0.444 478 A N -0.570 122.251 122.820 0.001 0.000 2.066 478 A HA -0.023 4.297 4.320 0.000 0.000 0.218 478 A C 2.128 179.699 177.584 -0.021 0.000 1.157 478 A CA 1.657 53.681 52.037 -0.020 0.000 0.670 478 A CB -0.334 18.676 19.000 0.017 0.000 0.804 478 A HN 0.495 nan 8.150 nan 0.000 0.453 479 R N -0.709 119.798 120.500 0.011 0.000 2.119 479 R HA 0.045 4.385 4.340 0.000 0.000 0.222 479 R C 1.664 177.968 176.300 0.007 0.000 1.088 479 R CA 1.390 57.504 56.100 0.022 0.000 0.984 479 R CB -0.498 29.828 30.300 0.044 0.000 0.884 479 R HN 0.193 nan 8.270 nan 0.000 0.447 480 V N -0.123 119.791 119.914 -0.000 0.000 2.358 480 V HA -0.171 3.949 4.120 0.000 0.000 0.246 480 V C 1.915 177.984 176.094 -0.041 0.000 1.047 480 V CA 1.529 63.826 62.300 -0.004 0.000 1.035 480 V CB -0.123 31.707 31.823 0.011 0.000 0.658 480 V HN 0.177 nan 8.190 nan 0.000 0.452 481 V N 0.903 120.759 119.914 -0.096 0.000 3.284 481 V HA -0.111 4.009 4.120 0.000 0.000 0.273 481 V C 0.401 176.366 176.094 -0.216 0.000 1.178 481 V CA 0.911 63.095 62.300 -0.193 0.000 1.177 481 V CB -0.805 30.827 31.823 -0.319 0.000 0.793 481 V HN 0.379 nan 8.190 nan 0.000 0.536 482 L N -0.588 120.582 121.223 -0.088 0.000 2.353 482 L HA 0.500 4.840 4.340 0.000 0.000 0.270 482 L C 0.564 177.458 176.870 0.040 0.000 1.003 482 L CA -0.783 54.073 54.840 0.026 0.000 0.862 482 L CB 0.427 42.562 42.059 0.127 0.000 1.221 482 L HN 0.095 nan 8.230 nan 0.000 0.430 483 E N 0.291 120.514 120.200 0.038 0.000 3.426 483 E HA -0.267 4.083 4.350 0.000 0.000 0.291 483 E C -0.246 176.388 176.600 0.056 0.000 0.898 483 E CA 1.744 58.163 56.400 0.030 0.000 0.970 483 E CB -0.203 29.497 29.700 -0.000 0.000 1.489 483 E HN 0.905 nan 8.360 nan 0.000 0.461 484 E N 0.000 120.268 120.200 0.113 0.000 2.725 484 E HA 0.000 4.350 4.350 0.000 0.000 0.291 484 E CA 0.000 56.502 56.400 0.170 0.000 0.976 484 E CB 0.000 29.827 29.700 0.212 0.000 0.812 484 E HN 0.000 nan 8.360 nan 0.000 0.440