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 2g63_1_D DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS 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 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.652 174.600 0.087 0.000 1.055 39 S CA 0.000 58.254 58.200 0.090 0.000 1.107 39 S CB 0.000 63.259 63.200 0.098 0.000 0.593 40 R N 2.071 122.617 120.500 0.077 0.000 3.252 40 R HA 0.214 4.554 4.340 -0.000 0.000 0.282 40 R C 0.566 176.914 176.300 0.081 0.000 0.980 40 R CA 0.104 56.248 56.100 0.074 0.000 1.178 40 R CB -0.553 29.789 30.300 0.071 0.000 1.151 40 R HN 0.813 nan 8.270 nan 0.000 0.506 41 K N -0.249 120.203 120.400 0.086 0.000 2.120 41 K HA 0.152 4.472 4.320 -0.000 0.000 0.245 41 K C -0.297 176.364 176.600 0.102 0.000 1.024 41 K CA -0.069 56.275 56.287 0.095 0.000 0.906 41 K CB 0.470 33.032 32.500 0.103 0.000 1.051 41 K HN 0.849 nan 8.250 nan 0.000 0.491 42 T N -2.023 112.598 114.554 0.113 0.000 2.897 42 T HA 0.224 4.574 4.350 -0.000 0.000 0.278 42 T C -0.367 174.451 174.700 0.196 0.000 0.981 42 T CA -0.670 61.507 62.100 0.130 0.000 0.973 42 T CB 0.324 69.264 68.868 0.119 0.000 1.092 42 T HN 0.456 nan 8.240 nan 0.000 0.543 43 Y N 2.404 122.757 120.300 0.088 0.000 2.486 43 Y HA 0.377 4.927 4.550 -0.000 0.000 0.348 43 Y C 0.956 177.003 175.900 0.245 0.000 1.000 43 Y CA -0.391 57.799 58.100 0.150 0.000 1.253 43 Y CB -0.187 38.323 38.460 0.083 0.000 1.140 43 Y HN 1.018 nan 8.280 nan 0.000 0.526 44 T N 2.479 117.004 114.554 -0.048 0.000 2.862 44 T HA 0.145 4.495 4.350 -0.000 0.000 0.276 44 T C 0.956 175.526 174.700 -0.217 0.000 0.974 44 T CA -0.684 61.424 62.100 0.013 0.000 0.966 44 T CB 1.132 69.989 68.868 -0.018 0.000 1.072 44 T HN 0.667 nan 8.240 nan 0.000 0.538 45 L N 0.885 121.827 121.223 -0.468 0.000 2.046 45 L HA 0.038 4.378 4.340 -0.000 0.000 0.208 45 L C 2.618 179.338 176.870 -0.249 0.000 1.077 45 L CA 2.164 56.619 54.840 -0.641 0.000 0.747 45 L CB -1.571 39.992 42.059 -0.828 0.000 0.896 45 L HN 0.956 nan 8.230 nan 0.000 0.432 46 T N -0.517 113.913 114.554 -0.206 0.000 2.788 46 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 46 T C 1.514 176.120 174.700 -0.156 0.000 1.044 46 T CA 1.428 63.441 62.100 -0.146 0.000 1.139 46 T CB -0.415 68.389 68.868 -0.106 0.000 0.867 46 T HN 0.397 nan 8.240 nan 0.000 0.454 47 D N 0.189 120.463 120.400 -0.210 0.000 2.123 47 D HA -0.107 4.533 4.640 -0.000 0.000 0.196 47 D C 1.771 177.976 176.300 -0.158 0.000 0.992 47 D CA 1.149 54.999 54.000 -0.249 0.000 0.833 47 D CB -0.360 40.196 40.800 -0.406 0.000 0.954 47 D HN 0.432 nan 8.370 nan 0.000 0.455 48 Y N 1.565 121.685 120.300 -0.300 0.000 2.133 48 Y HA -0.096 4.454 4.550 -0.000 0.000 0.287 48 Y C 2.240 178.146 175.900 0.009 0.000 1.134 48 Y CA 1.191 59.284 58.100 -0.012 0.000 1.133 48 Y CB -0.654 37.856 38.460 0.082 0.000 0.987 48 Y HN -0.113 nan 8.280 nan 0.000 0.502 49 L N 0.082 121.117 121.223 -0.314 0.000 2.131 49 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 49 L C 1.720 178.477 176.870 -0.189 0.000 1.092 49 L CA 1.326 55.961 54.840 -0.342 0.000 0.759 49 L CB -0.451 41.486 42.059 -0.204 0.000 0.903 49 L HN 0.094 nan 8.230 nan 0.000 0.435 50 K N -0.189 120.126 120.400 -0.141 0.000 2.372 50 K HA 0.075 4.395 4.320 -0.000 0.000 0.200 50 K C 0.033 176.581 176.600 -0.087 0.000 1.022 50 K CA -0.153 56.074 56.287 -0.100 0.000 1.125 50 K CB -0.436 32.008 32.500 -0.093 0.000 0.855 50 K HN 0.269 nan 8.250 nan 0.000 0.524 51 N N 2.037 120.692 118.700 -0.074 0.000 2.699 51 N HA -0.238 4.502 4.740 -0.000 0.000 0.256 51 N C 0.616 176.106 175.510 -0.032 0.000 0.993 51 N CA 0.407 53.456 53.050 -0.003 0.000 0.759 51 N CB -0.233 38.250 38.487 -0.007 0.000 0.906 51 N HN 0.375 nan 8.380 nan 0.000 0.541 52 T N -2.486 111.995 114.554 -0.120 0.000 2.821 52 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 52 T C 0.601 175.077 174.700 -0.373 0.000 1.046 52 T CA 1.103 63.014 62.100 -0.315 0.000 1.139 52 T CB -0.154 68.385 68.868 -0.548 0.000 0.871 52 T HN 0.346 nan 8.240 nan 0.000 0.454 53 Y N 2.148 122.544 120.300 0.159 0.000 2.700 53 Y HA 0.629 5.178 4.550 -0.000 0.000 0.333 53 Y C 0.515 176.521 175.900 0.177 0.000 1.036 53 Y CA -1.695 56.518 58.100 0.189 0.000 1.287 53 Y CB 0.330 38.963 38.460 0.288 0.000 1.132 53 Y HN 0.034 nan 8.280 nan 0.000 0.510 54 R N 2.440 123.066 120.500 0.211 0.000 2.357 54 R HA 0.479 4.819 4.340 -0.000 0.000 0.296 54 R C -1.102 175.302 176.300 0.173 0.000 1.052 54 R CA -0.255 55.943 56.100 0.162 0.000 0.988 54 R CB 0.482 30.837 30.300 0.091 0.000 1.025 54 R HN 0.691 nan 8.270 nan 0.000 0.469 55 L N 4.536 125.861 121.223 0.170 0.000 2.276 55 L HA 0.354 4.694 4.340 -0.000 0.000 0.286 55 L C 0.140 177.086 176.870 0.125 0.000 1.061 55 L CA -0.334 54.608 54.840 0.169 0.000 0.807 55 L CB 1.331 43.514 42.059 0.207 0.000 1.177 55 L HN 0.554 nan 8.230 nan 0.000 0.429 56 K N 4.077 124.544 120.400 0.112 0.000 2.144 56 K HA 0.629 4.949 4.320 -0.000 0.000 0.270 56 K C -0.705 175.928 176.600 0.055 0.000 1.005 56 K CA -0.450 55.878 56.287 0.069 0.000 0.932 56 K CB 1.384 33.921 32.500 0.061 0.000 1.021 56 K HN 0.412 nan 8.250 nan 0.000 0.462 57 L N 1.064 122.247 121.223 -0.067 0.000 2.211 57 L HA 0.509 4.849 4.340 -0.000 0.000 0.259 57 L C -0.985 175.605 176.870 -0.465 0.000 1.031 57 L CA -1.128 53.526 54.840 -0.309 0.000 0.877 57 L CB 0.790 42.777 42.059 -0.120 0.000 1.457 57 L HN 0.546 nan 8.230 nan 0.000 0.466 58 Y N 0.251 120.027 120.300 -0.872 0.000 2.517 58 Y HA 0.318 4.868 4.550 -0.000 0.000 0.328 58 Y C -0.861 174.876 175.900 -0.272 0.000 1.130 58 Y CA -0.613 57.196 58.100 -0.486 0.000 1.280 58 Y CB 1.111 39.165 38.460 -0.677 0.000 1.101 58 Y HN 0.396 nan 8.280 nan 0.000 0.610 59 S N 5.579 121.222 115.700 -0.095 0.000 2.416 59 S HA 0.555 5.025 4.470 -0.000 0.000 0.287 59 S C -0.532 174.048 174.600 -0.034 0.000 1.139 59 S CA -0.513 57.667 58.200 -0.033 0.000 1.058 59 S CB -0.107 63.067 63.200 -0.044 0.000 0.967 59 S HN 0.541 nan 8.310 nan 0.000 0.495 60 L N 1.129 122.312 121.223 -0.067 0.000 2.303 60 L HA 0.807 5.147 4.340 -0.000 0.000 0.266 60 L C -0.143 176.637 176.870 -0.150 0.000 1.011 60 L CA -0.861 53.882 54.840 -0.161 0.000 0.818 60 L CB 0.836 42.501 42.059 -0.656 0.000 1.326 60 L HN 0.304 nan 8.230 nan 0.000 0.435 61 R N 0.842 121.284 120.500 -0.096 0.000 2.468 61 R HA 0.300 4.640 4.340 -0.000 0.000 0.302 61 R C -1.780 174.560 176.300 0.066 0.000 1.041 61 R CA -0.485 55.621 56.100 0.011 0.000 0.899 61 R CB 0.814 31.153 30.300 0.065 0.000 1.167 61 R HN 0.853 nan 8.270 nan 0.000 0.483 62 W N 4.779 126.184 121.300 0.175 0.000 2.193 62 W HA 0.068 4.728 4.660 -0.000 0.000 0.338 62 W C 1.805 178.414 176.519 0.149 0.000 1.310 62 W CA -0.185 57.281 57.345 0.202 0.000 1.243 62 W CB 0.518 30.090 29.460 0.187 0.000 1.165 62 W HN 0.586 nan 8.180 nan 0.000 0.566 63 I N -0.571 120.239 120.570 0.401 0.000 4.439 63 I HA 0.332 4.502 4.170 -0.000 0.000 0.331 63 I C 0.508 176.766 176.117 0.235 0.000 1.345 63 I CA -0.144 61.292 61.300 0.227 0.000 1.193 63 I CB -0.024 38.037 38.000 0.102 0.000 1.221 63 I HN 0.288 nan 8.210 nan 0.000 0.429 64 S N -0.287 115.611 115.700 0.330 0.000 2.800 64 S HA 0.319 4.789 4.470 -0.000 0.000 0.293 64 S C -0.420 174.346 174.600 0.276 0.000 1.209 64 S CA -0.151 58.222 58.200 0.289 0.000 0.884 64 S CB 1.590 64.980 63.200 0.316 0.000 1.244 64 S HN 0.066 nan 8.310 nan 0.000 0.540 65 D N -1.025 119.510 120.400 0.224 0.000 2.340 65 D HA 0.326 4.966 4.640 -0.000 0.000 0.217 65 D C 0.559 176.726 176.300 -0.221 0.000 1.081 65 D CA 0.458 54.405 54.000 -0.089 0.000 0.842 65 D CB 0.007 40.678 40.800 -0.215 0.000 0.934 65 D HN 0.591 nan 8.370 nan 0.000 0.511 66 H N -1.774 117.478 119.070 0.303 0.000 3.734 66 H HA 0.427 4.983 4.556 -0.000 0.000 0.253 66 H C -0.073 175.430 175.328 0.291 0.000 1.072 66 H CA -0.225 56.017 56.048 0.324 0.000 1.147 66 H CB 0.691 30.582 29.762 0.215 0.000 1.495 66 H HN -0.009 nan 8.280 nan 0.000 0.588 67 E N 0.490 120.974 120.200 0.475 0.000 2.359 67 E HA 0.450 4.800 4.350 -0.000 0.000 0.266 67 E C -1.459 175.377 176.600 0.394 0.000 0.920 67 E CA -1.323 55.255 56.400 0.296 0.000 0.788 67 E CB 2.993 32.790 29.700 0.162 0.000 1.279 67 E HN 0.177 nan 8.360 nan 0.000 0.438 68 Y N -1.329 119.021 120.300 0.085 0.000 2.571 68 Y HA 0.553 5.102 4.550 -0.000 0.000 0.341 68 Y C -1.805 174.085 175.900 -0.016 0.000 1.076 68 Y CA -1.308 56.726 58.100 -0.110 0.000 1.029 68 Y CB 0.675 38.699 38.460 -0.727 0.000 1.308 68 Y HN 0.335 nan 8.280 nan 0.000 0.461 69 L N 3.435 124.779 121.223 0.202 0.000 2.307 69 L HA 0.384 4.724 4.340 -0.000 0.000 0.282 69 L C -1.236 175.819 176.870 0.307 0.000 1.051 69 L CA -0.941 53.979 54.840 0.134 0.000 0.804 69 L CB 1.189 43.194 42.059 -0.089 0.000 1.197 69 L HN 0.763 nan 8.230 nan 0.000 0.431 70 Y N 3.441 123.844 120.300 0.172 0.000 2.555 70 Y HA 0.301 4.851 4.550 0.000 0.000 0.326 70 Y C -0.372 175.521 175.900 -0.012 0.000 0.984 70 Y CA -1.259 56.888 58.100 0.079 0.000 1.298 70 Y CB 0.652 39.245 38.460 0.222 0.000 1.094 70 Y HN 0.425 nan 8.280 nan 0.000 0.500 71 K N 5.325 125.502 120.400 -0.372 0.000 2.412 71 K HA 0.155 4.475 4.320 -0.000 0.000 0.284 71 K C -0.248 176.010 176.600 -0.570 0.000 1.046 71 K CA 0.017 56.081 56.287 -0.372 0.000 0.999 71 K CB 0.789 33.141 32.500 -0.248 0.000 0.941 71 K HN 0.684 nan 8.250 nan 0.000 0.474 72 Q N 1.224 120.795 119.800 -0.381 0.000 2.252 72 Q HA 0.091 4.431 4.340 -0.000 0.000 0.256 72 Q C 0.710 176.599 176.000 -0.186 0.000 1.020 72 Q CA -0.743 54.866 55.803 -0.323 0.000 0.913 72 Q CB 1.299 29.927 28.738 -0.184 0.000 1.286 72 Q HN 0.561 nan 8.270 nan 0.000 0.480 73 E N 0.229 120.349 120.200 -0.133 0.000 2.333 73 E HA -0.225 4.125 4.350 -0.000 0.000 0.200 73 E C 0.398 176.967 176.600 -0.051 0.000 1.010 73 E CA 1.151 57.504 56.400 -0.079 0.000 0.841 73 E CB 0.382 30.049 29.700 -0.055 0.000 0.757 73 E HN 0.414 nan 8.360 nan 0.000 0.508 74 N N -0.313 118.352 118.700 -0.059 0.000 2.782 74 N HA -0.005 4.735 4.740 -0.000 0.000 0.244 74 N C 0.044 175.518 175.510 -0.060 0.000 1.029 74 N CA 0.323 53.349 53.050 -0.040 0.000 0.999 74 N CB 0.308 38.775 38.487 -0.033 0.000 1.634 74 N HN 0.123 nan 8.380 nan 0.000 0.478 75 N N 0.213 118.864 118.700 -0.081 0.000 2.469 75 N HA 0.477 5.217 4.740 -0.000 0.000 0.286 75 N C -1.042 174.395 175.510 -0.121 0.000 1.275 75 N CA -0.556 52.433 53.050 -0.102 0.000 0.790 75 N CB 1.471 39.912 38.487 -0.075 0.000 1.446 75 N HN -0.054 nan 8.380 nan 0.000 0.501 76 I N 0.403 120.904 120.570 -0.115 0.000 2.354 76 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 76 I C -0.518 175.613 176.117 0.022 0.000 0.989 76 I CA -0.812 60.437 61.300 -0.084 0.000 1.188 76 I CB 0.863 38.786 38.000 -0.129 0.000 1.342 76 I HN 0.252 nan 8.210 nan 0.000 0.457 77 L N 6.337 127.592 121.223 0.053 0.000 2.334 77 L HA 0.601 4.941 4.340 -0.000 0.000 0.272 77 L C -0.362 176.527 176.870 0.031 0.000 1.020 77 L CA -1.006 53.844 54.840 0.017 0.000 0.812 77 L CB 2.224 44.252 42.059 -0.051 0.000 1.264 77 L HN 0.327 nan 8.230 nan 0.000 0.439 78 V N 2.511 122.376 119.914 -0.081 0.000 2.384 78 V HA 0.476 4.595 4.120 -0.000 0.000 0.287 78 V C -0.808 175.109 176.094 -0.295 0.000 1.020 78 V CA -0.196 62.060 62.300 -0.074 0.000 0.850 78 V CB 1.117 32.983 31.823 0.072 0.000 0.987 78 V HN 0.443 nan 8.190 nan 0.000 0.436 79 F N 5.262 124.951 119.950 -0.435 0.000 2.432 79 F HA 0.501 5.028 4.527 -0.000 0.000 0.329 79 F C 0.616 176.124 175.800 -0.486 0.000 1.076 79 F CA -0.428 57.221 58.000 -0.584 0.000 1.018 79 F CB 1.504 39.805 39.000 -1.165 0.000 1.201 79 F HN 0.478 nan 8.300 nan 0.000 0.489 80 N N 1.704 120.349 118.700 -0.091 0.000 2.457 80 N HA 0.263 5.003 4.740 -0.000 0.000 0.250 80 N C 0.345 175.789 175.510 -0.109 0.000 0.982 80 N CA 0.006 53.027 53.050 -0.048 0.000 0.941 80 N CB 1.785 40.297 38.487 0.043 0.000 1.120 80 N HN 0.791 nan 8.380 nan 0.000 0.505 81 A N 3.357 126.073 122.820 -0.174 0.000 2.070 81 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 81 A C 1.842 179.091 177.584 -0.558 0.000 1.159 81 A CA 1.341 53.172 52.037 -0.343 0.000 0.656 81 A CB -0.206 18.506 19.000 -0.481 0.000 0.800 81 A HN 0.782 nan 8.150 nan 0.000 0.453 82 E N -1.131 118.758 120.200 -0.518 0.000 2.051 82 E HA -0.108 4.242 4.350 -0.000 0.000 0.189 82 E C 1.329 177.645 176.600 -0.474 0.000 0.979 82 E CA 1.520 57.608 56.400 -0.521 0.000 0.803 82 E CB -0.270 29.002 29.700 -0.714 0.000 0.761 82 E HN 0.683 nan 8.360 nan 0.000 0.451 83 Y N -1.753 118.541 120.300 -0.010 0.000 2.524 83 Y HA 0.385 4.935 4.550 -0.000 0.000 0.270 83 Y C 1.702 177.602 175.900 -0.000 0.000 1.094 83 Y CA 0.370 58.469 58.100 -0.000 0.000 1.276 83 Y CB 0.606 39.069 38.460 0.006 0.000 1.130 83 Y HN 0.192 nan 8.280 nan 0.000 0.536 84 G N 0.663 109.533 108.800 0.116 0.000 2.175 84 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.244 84 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.244 84 G C 0.013 175.037 174.900 0.206 0.000 0.982 84 G CA 0.086 45.272 45.100 0.142 0.000 0.641 84 G HN 0.441 nan 8.290 nan 0.000 0.527 85 N N 0.724 119.500 118.700 0.127 0.000 2.503 85 N HA 0.582 5.322 4.740 -0.000 0.000 0.267 85 N C 0.055 175.469 175.510 -0.159 0.000 1.214 85 N CA 0.666 53.725 53.050 0.015 0.000 0.959 85 N CB 1.550 40.047 38.487 0.017 0.000 1.142 85 N HN 1.007 nan 8.380 nan 0.000 0.455 86 S N -0.767 114.730 115.700 -0.337 0.000 2.618 86 S HA 0.745 5.215 4.470 -0.000 0.000 0.277 86 S C -1.058 173.323 174.600 -0.365 0.000 1.138 86 S CA -0.837 56.990 58.200 -0.623 0.000 0.844 86 S CB 1.465 63.726 63.200 -1.565 0.000 1.127 86 S HN 0.620 nan 8.310 nan 0.000 0.474 87 S N 0.184 115.696 115.700 -0.313 0.000 2.588 87 S HA 0.594 5.064 4.470 -0.000 0.000 0.275 87 S C -0.884 173.635 174.600 -0.136 0.000 1.130 87 S CA -0.806 57.287 58.200 -0.177 0.000 0.855 87 S CB 1.621 64.750 63.200 -0.117 0.000 1.116 87 S HN 0.809 nan 8.310 nan 0.000 0.472 88 V N 3.124 122.978 119.914 -0.099 0.000 2.421 88 V HA 0.120 4.239 4.120 -0.000 0.000 0.271 88 V C 0.769 176.843 176.094 -0.032 0.000 1.031 88 V CA 0.152 62.415 62.300 -0.062 0.000 1.032 88 V CB -0.555 31.222 31.823 -0.077 0.000 1.009 88 V HN 0.938 nan 8.190 nan 0.000 0.477 89 F N 6.476 126.362 119.950 -0.106 0.000 2.206 89 F HA 0.129 4.656 4.527 -0.000 0.000 0.298 89 F C 0.713 176.467 175.800 -0.077 0.000 1.090 89 F CA 0.919 58.870 58.000 -0.082 0.000 1.323 89 F CB 0.472 39.433 39.000 -0.065 0.000 1.028 89 F HN 0.386 nan 8.300 nan 0.000 0.492 90 L N -0.166 121.065 121.223 0.014 0.000 2.676 90 L HA 0.436 4.776 4.340 -0.000 0.000 0.262 90 L C -0.753 176.051 176.870 -0.109 0.000 0.932 90 L CA -1.051 53.736 54.840 -0.089 0.000 0.932 90 L CB 0.302 42.358 42.059 -0.004 0.000 1.355 90 L HN -0.204 nan 8.230 nan 0.000 0.421 91 E N 2.328 122.437 120.200 -0.151 0.000 2.458 91 E HA 0.038 4.388 4.350 -0.000 0.000 0.264 91 E C 1.320 177.838 176.600 -0.137 0.000 1.097 91 E CA 0.780 57.098 56.400 -0.136 0.000 0.973 91 E CB 0.712 30.325 29.700 -0.144 0.000 0.963 91 E HN 0.755 nan 8.360 nan 0.000 0.451 92 N N 0.215 118.859 118.700 -0.093 0.000 2.515 92 N HA -0.105 4.635 4.740 -0.000 0.000 0.185 92 N C 0.489 175.970 175.510 -0.048 0.000 1.109 92 N CA 0.811 53.828 53.050 -0.055 0.000 0.903 92 N CB 0.109 38.572 38.487 -0.039 0.000 0.969 92 N HN 0.240 nan 8.380 nan 0.000 0.450 93 S N -1.415 114.228 115.700 -0.095 0.000 2.554 93 S HA 0.124 4.594 4.470 -0.000 0.000 0.226 93 S C 1.131 175.622 174.600 -0.183 0.000 0.980 93 S CA -0.417 57.727 58.200 -0.094 0.000 0.939 93 S CB -0.097 63.058 63.200 -0.075 0.000 0.832 93 S HN 0.108 nan 8.310 nan 0.000 0.486 94 T N 1.480 115.823 114.554 -0.352 0.000 3.007 94 T HA 0.120 4.470 4.350 -0.000 0.000 0.270 94 T C -0.056 174.079 174.700 -0.943 0.000 1.107 94 T CA 0.960 62.636 62.100 -0.707 0.000 1.118 94 T CB -0.429 67.797 68.868 -1.069 0.000 0.889 94 T HN 0.576 nan 8.240 nan 0.000 0.506 95 F N 0.261 120.162 119.950 -0.081 0.000 2.811 95 F HA 0.348 4.875 4.527 -0.000 0.000 0.342 95 F C 0.909 176.721 175.800 0.020 0.000 1.203 95 F CA -1.463 56.508 58.000 -0.049 0.000 1.173 95 F CB 0.146 39.055 39.000 -0.151 0.000 1.094 95 F HN -0.083 nan 8.300 nan 0.000 0.510 96 D N 1.422 121.881 120.400 0.098 0.000 2.149 96 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 96 D C 1.155 177.507 176.300 0.087 0.000 1.001 96 D CA 1.717 55.762 54.000 0.074 0.000 0.849 96 D CB -0.034 40.779 40.800 0.021 0.000 0.939 96 D HN 0.580 nan 8.370 nan 0.000 0.449 97 E N -0.299 119.957 120.200 0.093 0.000 2.830 97 E HA 0.079 4.429 4.350 -0.000 0.000 0.225 97 E C 0.549 177.200 176.600 0.085 0.000 1.109 97 E CA -0.459 55.975 56.400 0.057 0.000 1.392 97 E CB -0.304 29.407 29.700 0.018 0.000 1.349 97 E HN 0.061 nan 8.360 nan 0.000 0.433 98 F N 1.854 121.791 119.950 -0.022 0.000 2.456 98 F HA 0.188 4.715 4.527 0.000 0.000 0.298 98 F C 1.655 177.328 175.800 -0.213 0.000 1.104 98 F CA 1.547 59.508 58.000 -0.065 0.000 1.435 98 F CB 0.208 39.163 39.000 -0.074 0.000 1.078 98 F HN 0.424 nan 8.300 nan 0.000 0.546 99 G N -0.596 108.041 108.800 -0.272 0.000 2.199 99 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.254 99 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.254 99 G C 0.094 174.590 174.900 -0.672 0.000 0.982 99 G CA 0.391 45.179 45.100 -0.520 0.000 0.632 99 G HN 0.545 nan 8.290 nan 0.000 0.529 100 H N -0.353 118.628 119.070 -0.149 0.000 2.851 100 H HA 0.615 5.171 4.556 -0.000 0.000 0.372 100 H C -0.493 174.906 175.328 0.117 0.000 1.158 100 H CA -0.082 55.943 56.048 -0.039 0.000 1.159 100 H CB 1.608 31.210 29.762 -0.267 0.000 1.757 100 H HN 0.165 nan 8.280 nan 0.000 0.546 101 S N 2.657 118.483 115.700 0.209 0.000 2.430 101 S HA 0.251 4.721 4.470 -0.000 0.000 0.282 101 S C 0.277 174.916 174.600 0.065 0.000 1.186 101 S CA -0.662 57.605 58.200 0.110 0.000 1.060 101 S CB -0.789 62.460 63.200 0.081 0.000 0.966 101 S HN 0.370 nan 8.310 nan 0.000 0.501 102 I N 6.160 126.695 120.570 -0.057 0.000 2.396 102 I HA 0.151 4.321 4.170 -0.000 0.000 0.289 102 I C 1.642 177.632 176.117 -0.211 0.000 1.056 102 I CA -0.415 60.743 61.300 -0.237 0.000 1.365 102 I CB 0.742 38.393 38.000 -0.581 0.000 1.407 102 I HN 0.759 nan 8.210 nan 0.000 0.509 103 N N 4.291 122.872 118.700 -0.198 0.000 2.392 103 N HA 0.010 4.750 4.740 -0.000 0.000 0.177 103 N C -0.147 175.241 175.510 -0.203 0.000 1.066 103 N CA 0.387 53.324 53.050 -0.189 0.000 0.895 103 N CB 0.604 38.959 38.487 -0.219 0.000 0.988 103 N HN 0.625 nan 8.380 nan 0.000 0.457 104 D N -1.492 118.739 120.400 -0.281 0.000 2.683 104 D HA 0.356 4.996 4.640 -0.000 0.000 0.246 104 D C -1.820 174.302 176.300 -0.297 0.000 1.238 104 D CA -0.476 53.427 54.000 -0.162 0.000 0.759 104 D CB 0.881 41.647 40.800 -0.056 0.000 1.349 104 D HN -0.072 nan 8.370 nan 0.000 0.426 105 Y N -0.095 120.210 120.300 0.008 0.000 2.598 105 Y HA 0.718 5.268 4.550 0.000 0.000 0.340 105 Y C 0.041 176.015 175.900 0.123 0.000 1.038 105 Y CA -0.903 57.226 58.100 0.048 0.000 1.100 105 Y CB 2.423 40.907 38.460 0.040 0.000 1.281 105 Y HN 0.173 nan 8.280 nan 0.000 0.488 106 S N 1.540 117.465 115.700 0.374 0.000 2.614 106 S HA 0.505 4.975 4.470 -0.000 0.000 0.259 106 S C -1.484 173.420 174.600 0.505 0.000 1.118 106 S CA -0.463 57.979 58.200 0.403 0.000 1.065 106 S CB -0.150 63.297 63.200 0.410 0.000 1.121 106 S HN 0.554 nan 8.310 nan 0.000 0.458 107 I N 4.439 125.159 120.570 0.251 0.000 2.395 107 I HA 0.279 4.449 4.170 -0.000 0.000 0.289 107 I C 1.030 176.952 176.117 -0.324 0.000 1.023 107 I CA -0.451 60.884 61.300 0.057 0.000 1.350 107 I CB 1.638 39.617 38.000 -0.036 0.000 1.409 107 I HN 0.734 nan 8.210 nan 0.000 0.507 108 S N 5.977 121.140 115.700 -0.895 0.000 2.563 108 S HA 0.106 4.576 4.470 -0.000 0.000 0.284 108 S C -1.839 172.446 174.600 -0.524 0.000 1.331 108 S CA -0.932 56.391 58.200 -1.461 0.000 1.047 108 S CB 0.407 62.688 63.200 -1.531 0.000 0.859 108 S HN 0.442 nan 8.310 nan 0.000 0.514 109 P HA -0.052 nan 4.420 nan 0.000 0.226 109 P C 0.620 177.866 177.300 -0.090 0.000 1.146 109 P CA 0.913 63.940 63.100 -0.122 0.000 0.773 109 P CB 0.012 31.672 31.700 -0.066 0.000 0.772 110 D N -1.274 119.049 120.400 -0.128 0.000 2.149 110 D HA -0.024 4.616 4.640 -0.000 0.000 0.201 110 D C 1.834 178.112 176.300 -0.036 0.000 0.972 110 D CA 1.702 55.676 54.000 -0.044 0.000 0.835 110 D CB -0.595 40.233 40.800 0.047 0.000 0.966 110 D HN 0.126 nan 8.370 nan 0.000 0.476 111 G N 0.123 108.887 108.800 -0.061 0.000 2.179 111 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.260 111 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.260 111 G C 1.074 175.967 174.900 -0.012 0.000 0.977 111 G CA 0.654 45.783 45.100 0.048 0.000 0.641 111 G HN 0.421 nan 8.290 nan 0.000 0.533 112 Q N -1.383 118.318 119.800 -0.165 0.000 2.302 112 Q HA 0.379 4.719 4.340 -0.000 0.000 0.202 112 Q C 0.213 175.738 176.000 -0.791 0.000 0.936 112 Q CA 0.685 56.196 55.803 -0.486 0.000 0.886 112 Q CB 0.294 28.674 28.738 -0.598 0.000 0.986 112 Q HN 0.557 nan 8.270 nan 0.000 0.487 113 F N -0.577 119.324 119.950 -0.081 0.000 2.613 113 F HA 0.516 5.043 4.527 -0.000 0.000 0.314 113 F C -0.512 175.373 175.800 0.141 0.000 1.075 113 F CA -1.131 56.890 58.000 0.035 0.000 0.945 113 F CB 1.516 40.558 39.000 0.070 0.000 1.310 113 F HN -0.254 nan 8.300 nan 0.000 0.467 114 I N 2.598 123.516 120.570 0.580 0.000 2.545 114 I HA 0.415 4.585 4.170 -0.000 0.000 0.292 114 I C -1.482 174.988 176.117 0.588 0.000 1.040 114 I CA -1.019 60.614 61.300 0.555 0.000 1.068 114 I CB 2.207 40.526 38.000 0.532 0.000 1.251 114 I HN 0.285 nan 8.210 nan 0.000 0.424 115 L N 6.793 128.354 121.223 0.564 0.000 2.272 115 L HA 0.500 4.840 4.340 -0.000 0.000 0.289 115 L C -0.870 176.108 176.870 0.179 0.000 1.032 115 L CA -0.124 54.928 54.840 0.353 0.000 0.810 115 L CB 0.957 43.168 42.059 0.253 0.000 1.205 115 L HN 0.441 nan 8.230 nan 0.000 0.422 116 L N 5.063 126.307 121.223 0.035 0.000 2.265 116 L HA 0.463 4.802 4.340 -0.000 0.000 0.289 116 L C 0.038 176.832 176.870 -0.127 0.000 1.033 116 L CA -0.339 54.351 54.840 -0.249 0.000 0.814 116 L CB 1.318 43.014 42.059 -0.605 0.000 1.203 116 L HN 0.619 nan 8.230 nan 0.000 0.423 117 E N 4.285 124.343 120.200 -0.238 0.000 2.174 117 E HA 0.409 4.759 4.350 -0.000 0.000 0.282 117 E C -1.516 174.969 176.600 -0.192 0.000 0.992 117 E CA -0.502 55.670 56.400 -0.380 0.000 0.803 117 E CB 0.960 30.501 29.700 -0.264 0.000 1.090 117 E HN 0.438 nan 8.360 nan 0.000 0.396 118 Y N 1.656 121.710 120.300 -0.410 0.000 2.715 118 Y HA 0.443 4.993 4.550 -0.000 0.000 0.331 118 Y C -0.095 175.686 175.900 -0.198 0.000 1.197 118 Y CA -1.731 56.233 58.100 -0.226 0.000 1.079 118 Y CB 0.394 38.791 38.460 -0.105 0.000 1.298 118 Y HN 0.502 nan 8.280 nan 0.000 0.477 119 N N -0.463 118.211 118.700 -0.042 0.000 2.735 119 N HA -0.298 4.442 4.740 -0.000 0.000 0.248 119 N C -0.957 174.499 175.510 -0.089 0.000 1.083 119 N CA 1.023 54.003 53.050 -0.117 0.000 0.703 119 N CB -1.578 36.729 38.487 -0.300 0.000 1.005 119 N HN 0.863 nan 8.380 nan 0.000 0.550 120 Y N 0.262 120.479 120.300 -0.139 0.000 2.632 120 Y HA 0.271 4.821 4.550 0.000 0.000 0.329 120 Y C -0.028 175.833 175.900 -0.064 0.000 1.174 120 Y CA 0.027 58.056 58.100 -0.117 0.000 1.469 120 Y CB 0.672 39.015 38.460 -0.195 0.000 1.242 120 Y HN -0.015 nan 8.280 nan 0.000 0.540 121 V N 8.133 127.655 119.914 -0.655 0.000 2.447 121 V HA 0.203 4.323 4.120 -0.000 0.000 0.292 121 V C -0.331 175.354 176.094 -0.682 0.000 1.021 121 V CA -1.388 60.587 62.300 -0.542 0.000 0.850 121 V CB 1.331 33.002 31.823 -0.253 0.000 1.005 121 V HN 0.764 nan 8.190 nan 0.000 0.426 122 K N 3.848 123.822 120.400 -0.710 0.000 2.326 122 K HA 0.264 4.584 4.320 -0.000 0.000 0.275 122 K C 0.427 176.869 176.600 -0.262 0.000 1.018 122 K CA 0.114 56.174 56.287 -0.378 0.000 0.962 122 K CB 1.319 33.774 32.500 -0.075 0.000 0.953 122 K HN 0.816 nan 8.250 nan 0.000 0.475 123 Q N 3.162 122.798 119.800 -0.273 0.000 2.471 123 Q HA 0.163 4.503 4.340 -0.000 0.000 0.207 123 Q C 0.004 175.782 176.000 -0.369 0.000 0.889 123 Q CA -0.368 55.086 55.803 -0.581 0.000 0.726 123 Q CB 0.079 28.298 28.738 -0.865 0.000 2.132 123 Q HN 0.741 nan 8.270 nan 0.000 0.531 124 W N 0.203 121.506 121.300 0.004 0.000 1.836 124 W HA 0.376 5.036 4.660 -0.000 0.000 0.628 124 W C 1.918 178.431 176.519 -0.009 0.000 1.626 124 W CA -0.735 56.639 57.345 0.048 0.000 1.714 124 W CB -0.151 29.299 29.460 -0.016 0.000 3.166 124 W HN 0.267 nan 8.180 nan 0.000 0.772 125 R N -0.606 119.997 120.500 0.172 0.000 2.096 125 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 125 R C 1.707 177.841 176.300 -0.276 0.000 1.127 125 R CA 1.772 57.789 56.100 -0.140 0.000 0.968 125 R CB -0.352 29.709 30.300 -0.399 0.000 0.861 125 R HN 0.501 nan 8.270 nan 0.000 0.440 126 H N -1.435 117.725 119.070 0.151 0.000 2.800 126 H HA 0.153 4.709 4.556 -0.000 0.000 0.257 126 H C 0.653 176.112 175.328 0.219 0.000 0.967 126 H CA 0.446 56.611 56.048 0.196 0.000 1.192 126 H CB 0.198 30.048 29.762 0.146 0.000 1.441 126 H HN 0.136 nan 8.280 nan 0.000 0.461 127 S N 1.354 117.098 115.700 0.072 0.000 2.585 127 S HA 0.341 4.811 4.470 -0.000 0.000 0.273 127 S C -0.245 174.280 174.600 -0.126 0.000 1.339 127 S CA -0.382 57.577 58.200 -0.402 0.000 1.028 127 S CB 0.612 63.020 63.200 -1.321 0.000 0.906 127 S HN 0.471 nan 8.310 nan 0.000 0.528 128 Y N -2.368 117.820 120.300 -0.187 0.000 2.810 128 Y HA 0.626 5.176 4.550 -0.000 0.000 0.355 128 Y C -0.848 175.065 175.900 0.021 0.000 1.211 128 Y CA -0.803 57.200 58.100 -0.161 0.000 1.112 128 Y CB 0.447 38.820 38.460 -0.144 0.000 1.383 128 Y HN 0.939 nan 8.280 nan 0.000 0.458 129 T N -0.060 114.565 114.554 0.118 0.000 2.930 129 T HA 1.034 5.384 4.350 -0.000 0.000 0.290 129 T C -0.542 174.253 174.700 0.159 0.000 1.052 129 T CA -0.204 61.969 62.100 0.123 0.000 1.017 129 T CB 1.800 70.692 68.868 0.040 0.000 1.137 129 T HN 2.056 nan 8.240 nan 0.000 0.511 130 A N 0.719 123.603 122.820 0.107 0.000 2.515 130 A HA 0.740 5.060 4.320 -0.000 0.000 0.292 130 A C -0.664 176.726 177.584 -0.323 0.000 1.065 130 A CA -0.988 50.970 52.037 -0.132 0.000 0.641 130 A CB 0.817 19.726 19.000 -0.152 0.000 1.306 130 A HN 0.905 nan 8.150 nan 0.000 0.441 131 S N -0.652 114.599 115.700 -0.748 0.000 2.608 131 S HA 0.809 5.279 4.470 -0.000 0.000 0.291 131 S C -1.483 172.477 174.600 -1.068 0.000 1.146 131 S CA -0.060 57.609 58.200 -0.886 0.000 1.043 131 S CB 0.644 62.993 63.200 -1.418 0.000 1.037 131 S HN 0.462 nan 8.310 nan 0.000 0.520 132 Y N 0.099 120.176 120.300 -0.372 0.000 2.457 132 Y HA 0.454 5.003 4.550 -0.000 0.000 0.343 132 Y C -0.382 175.558 175.900 0.066 0.000 0.994 132 Y CA -0.916 57.119 58.100 -0.109 0.000 1.031 132 Y CB 1.743 40.072 38.460 -0.217 0.000 1.246 132 Y HN 0.500 nan 8.280 nan 0.000 0.449 133 D N 2.856 123.447 120.400 0.319 0.000 2.619 133 D HA 0.547 5.187 4.640 -0.000 0.000 0.241 133 D C -0.865 175.541 176.300 0.177 0.000 1.087 133 D CA -0.328 53.825 54.000 0.254 0.000 0.851 133 D CB 2.647 43.669 40.800 0.370 0.000 1.474 133 D HN 0.415 nan 8.370 nan 0.000 0.478 134 I N 1.927 122.602 120.570 0.176 0.000 2.377 134 I HA 0.238 4.408 4.170 -0.000 0.000 0.293 134 I C -0.825 175.501 176.117 0.349 0.000 0.987 134 I CA -0.942 60.499 61.300 0.235 0.000 1.185 134 I CB 1.325 39.399 38.000 0.123 0.000 1.341 134 I HN 0.220 nan 8.210 nan 0.000 0.455 135 Y N 5.337 125.816 120.300 0.298 0.000 2.331 135 Y HA 0.273 4.823 4.550 -0.000 0.000 0.338 135 Y C -0.133 176.003 175.900 0.393 0.000 0.992 135 Y CA -0.775 57.518 58.100 0.322 0.000 1.121 135 Y CB 1.145 39.822 38.460 0.361 0.000 1.184 135 Y HN 0.480 nan 8.280 nan 0.000 0.469 136 D N 6.502 126.834 120.400 -0.113 0.000 2.365 136 D HA 0.082 4.722 4.640 -0.000 0.000 0.237 136 D C 0.805 176.844 176.300 -0.435 0.000 1.190 136 D CA 0.260 54.190 54.000 -0.117 0.000 0.867 136 D CB 0.848 41.622 40.800 -0.044 0.000 1.050 136 D HN 0.869 nan 8.370 nan 0.000 0.491 137 L N 3.591 124.632 121.223 -0.304 0.000 2.191 137 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 137 L C 2.078 178.791 176.870 -0.261 0.000 1.103 137 L CA 0.497 55.215 54.840 -0.203 0.000 0.769 137 L CB -0.250 41.731 42.059 -0.131 0.000 0.908 137 L HN 0.400 nan 8.230 nan 0.000 0.438 138 N N 1.350 119.853 118.700 -0.327 0.000 2.048 138 N HA -0.189 4.551 4.740 -0.000 0.000 0.193 138 N C 1.569 176.964 175.510 -0.191 0.000 1.061 138 N CA 1.663 54.566 53.050 -0.245 0.000 0.849 138 N CB -0.336 37.999 38.487 -0.253 0.000 1.044 138 N HN 0.434 nan 8.380 nan 0.000 0.429 139 K N 1.432 121.720 120.400 -0.187 0.000 2.525 139 K HA 0.118 4.438 4.320 -0.000 0.000 0.192 139 K C -0.321 176.174 176.600 -0.176 0.000 1.029 139 K CA 0.059 56.260 56.287 -0.143 0.000 1.029 139 K CB 0.037 32.477 32.500 -0.100 0.000 0.814 139 K HN 0.087 nan 8.250 nan 0.000 0.503 140 R N 0.596 120.930 120.500 -0.276 0.000 3.251 140 R HA -0.211 4.129 4.340 -0.000 0.000 0.249 140 R C -0.787 175.311 176.300 -0.336 0.000 0.949 140 R CA 0.707 56.612 56.100 -0.326 0.000 0.645 140 R CB -1.954 28.303 30.300 -0.072 0.000 1.065 140 R HN 0.526 nan 8.270 nan 0.000 0.452 141 Q N 0.157 119.638 119.800 -0.532 0.000 2.416 141 Q HA 0.559 4.899 4.340 -0.000 0.000 0.281 141 Q C -1.021 174.889 176.000 -0.150 0.000 1.067 141 Q CA -0.785 54.903 55.803 -0.192 0.000 0.809 141 Q CB 1.762 30.455 28.738 -0.075 0.000 1.418 141 Q HN 0.318 nan 8.270 nan 0.000 0.411 142 L N 3.314 124.645 121.223 0.181 0.000 2.349 142 L HA 0.412 4.752 4.340 -0.000 0.000 0.275 142 L C -0.286 176.680 176.870 0.160 0.000 1.115 142 L CA -0.410 54.610 54.840 0.301 0.000 0.820 142 L CB 0.667 42.945 42.059 0.366 0.000 1.135 142 L HN 0.636 nan 8.230 nan 0.000 0.445 143 I N 2.496 123.158 120.570 0.155 0.000 2.352 143 I HA 0.040 4.210 4.170 -0.000 0.000 0.290 143 I C 1.200 177.361 176.117 0.074 0.000 1.036 143 I CA 0.005 61.357 61.300 0.087 0.000 1.336 143 I CB 1.353 39.388 38.000 0.059 0.000 1.407 143 I HN 0.705 nan 8.210 nan 0.000 0.497 144 T N 1.062 115.644 114.554 0.047 0.000 3.022 144 T HA 0.101 4.451 4.350 -0.000 0.000 0.250 144 T C 0.548 175.246 174.700 -0.003 0.000 1.060 144 T CA -0.311 61.807 62.100 0.031 0.000 1.013 144 T CB 0.040 68.926 68.868 0.030 0.000 0.982 144 T HN 0.625 nan 8.240 nan 0.000 0.508 145 E N 1.681 121.873 120.200 -0.013 0.000 2.242 145 E HA 0.225 4.575 4.350 -0.000 0.000 0.275 145 E C -0.597 175.967 176.600 -0.059 0.000 1.002 145 E CA -0.641 55.738 56.400 -0.034 0.000 0.841 145 E CB 0.786 30.470 29.700 -0.027 0.000 1.109 145 E HN 0.116 nan 8.360 nan 0.000 0.394 146 E N 0.517 120.669 120.200 -0.080 0.000 2.328 146 E HA -0.258 4.092 4.350 -0.000 0.000 0.233 146 E C 0.196 176.711 176.600 -0.142 0.000 1.219 146 E CA 1.097 57.430 56.400 -0.112 0.000 0.717 146 E CB -1.619 28.021 29.700 -0.100 0.000 1.210 146 E HN 0.758 nan 8.360 nan 0.000 0.381 147 R N -0.277 120.139 120.500 -0.140 0.000 2.774 147 R HA 0.385 4.725 4.340 -0.000 0.000 0.269 147 R C 0.741 176.866 176.300 -0.292 0.000 1.068 147 R CA -0.448 55.555 56.100 -0.161 0.000 1.180 147 R CB 0.456 30.699 30.300 -0.094 0.000 1.077 147 R HN 0.045 nan 8.270 nan 0.000 0.513 148 I N 2.866 123.222 120.570 -0.356 0.000 2.618 148 I HA 0.095 4.265 4.170 -0.000 0.000 0.284 148 I C -1.451 174.345 176.117 -0.534 0.000 1.146 148 I CA -1.894 59.027 61.300 -0.631 0.000 1.425 148 I CB 0.644 38.269 38.000 -0.626 0.000 1.383 148 I HN 0.608 nan 8.210 nan 0.000 0.562 149 P HA 0.047 nan 4.420 nan 0.000 0.272 149 P C -0.884 176.184 177.300 -0.386 0.000 1.230 149 P CA -0.330 62.365 63.100 -0.675 0.000 0.788 149 P CB 0.538 31.425 31.700 -1.355 0.000 0.949 150 N N 1.601 120.165 118.700 -0.226 0.000 2.354 150 N HA 0.020 4.760 4.740 -0.000 0.000 0.246 150 N C 0.772 176.335 175.510 0.089 0.000 1.285 150 N CA 0.060 53.047 53.050 -0.105 0.000 0.925 150 N CB -0.381 38.052 38.487 -0.090 0.000 1.174 150 N HN 0.449 nan 8.380 nan 0.000 0.478 151 N N -1.289 117.450 118.700 0.066 0.000 2.741 151 N HA -0.156 4.584 4.740 -0.000 0.000 0.250 151 N C -0.801 174.865 175.510 0.261 0.000 1.115 151 N CA 0.739 53.872 53.050 0.138 0.000 0.724 151 N CB -1.676 36.905 38.487 0.156 0.000 1.090 151 N HN 0.481 nan 8.380 nan 0.000 0.558 152 T N 0.926 115.631 114.554 0.251 0.000 2.916 152 T HA 0.094 4.444 4.350 -0.000 0.000 0.303 152 T C 1.714 176.548 174.700 0.223 0.000 1.025 152 T CA 0.154 62.415 62.100 0.269 0.000 1.142 152 T CB 1.132 70.047 68.868 0.079 0.000 0.947 152 T HN 0.172 nan 8.240 nan 0.000 0.544 153 Q N 1.675 121.597 119.800 0.204 0.000 2.302 153 Q HA 0.158 4.498 4.340 -0.000 0.000 0.202 153 Q C 0.128 176.258 176.000 0.217 0.000 0.936 153 Q CA 0.398 56.334 55.803 0.222 0.000 0.886 153 Q CB 0.772 29.597 28.738 0.146 0.000 0.986 153 Q HN 0.694 nan 8.270 nan 0.000 0.487 154 W N -0.085 121.147 121.300 -0.114 0.000 3.571 154 W HA 0.441 5.101 4.660 -0.000 0.000 0.294 154 W C -2.297 174.112 176.519 -0.185 0.000 1.257 154 W CA -0.583 56.656 57.345 -0.178 0.000 1.206 154 W CB 1.194 30.498 29.460 -0.261 0.000 1.325 154 W HN -0.361 nan 8.180 nan 0.000 0.546 155 V N 3.282 122.486 119.914 -1.182 0.000 2.925 155 V HA 0.755 4.875 4.120 -0.000 0.000 0.311 155 V C -0.493 175.010 176.094 -0.984 0.000 1.104 155 V CA -0.641 61.111 62.300 -0.913 0.000 0.954 155 V CB 1.961 33.131 31.823 -1.090 0.000 1.022 155 V HN 0.487 nan 8.190 nan 0.000 0.427 156 T N 2.390 116.669 114.554 -0.458 0.000 3.291 156 T HA 0.449 4.799 4.350 -0.000 0.000 0.344 156 T C -1.508 173.220 174.700 0.046 0.000 1.293 156 T CA -0.362 61.651 62.100 -0.145 0.000 1.108 156 T CB 0.630 69.641 68.868 0.239 0.000 1.231 156 T HN 0.511 nan 8.240 nan 0.000 0.474 157 W N 3.147 124.487 121.300 0.066 0.000 2.093 157 W HA 0.469 5.129 4.660 0.000 0.000 0.352 157 W C 1.299 177.654 176.519 -0.273 0.000 1.294 157 W CA -0.461 56.867 57.345 -0.028 0.000 1.290 157 W CB 0.532 29.981 29.460 -0.018 0.000 1.149 157 W HN 0.788 nan 8.180 nan 0.000 0.606 158 S N 0.705 116.175 115.700 -0.384 0.000 2.614 158 S HA 0.183 4.653 4.470 -0.000 0.000 0.265 158 S C -1.886 172.433 174.600 -0.467 0.000 1.303 158 S CA -1.009 56.438 58.200 -1.254 0.000 1.000 158 S CB 0.924 63.377 63.200 -1.245 0.000 0.935 158 S HN 0.252 nan 8.310 nan 0.000 0.551 159 P HA -0.057 nan 4.420 nan 0.000 0.219 159 P C 1.134 178.385 177.300 -0.081 0.000 1.146 159 P CA 0.999 64.039 63.100 -0.100 0.000 0.808 159 P CB -0.124 31.553 31.700 -0.038 0.000 0.779 160 V N -4.691 115.137 119.914 -0.144 0.000 3.938 160 V HA 0.446 4.566 4.120 -0.000 0.000 0.193 160 V C 1.928 177.951 176.094 -0.118 0.000 1.148 160 V CA 0.608 62.848 62.300 -0.100 0.000 1.354 160 V CB -1.550 30.223 31.823 -0.085 0.000 1.627 160 V HN 0.018 nan 8.190 nan 0.000 0.512 161 G N 1.761 110.463 108.800 -0.163 0.000 2.345 161 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.161 161 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.161 161 G C 0.777 175.600 174.900 -0.127 0.000 1.656 161 G CA 1.379 46.358 45.100 -0.203 0.000 0.940 161 G HN 1.171 nan 8.290 nan 0.000 0.374 162 H N -1.458 117.631 119.070 0.032 0.000 3.204 162 H HA 0.376 4.932 4.556 -0.000 0.000 0.240 162 H C -0.165 175.352 175.328 0.314 0.000 1.259 162 H CA -0.512 55.630 56.048 0.155 0.000 0.991 162 H CB -0.318 29.573 29.762 0.215 0.000 2.583 162 H HN 0.222 nan 8.280 nan 0.000 0.638 163 K N 1.583 122.066 120.400 0.138 0.000 2.180 163 K HA 0.468 4.788 4.320 -0.000 0.000 0.251 163 K C -0.416 176.315 176.600 0.219 0.000 1.014 163 K CA -0.264 56.100 56.287 0.127 0.000 0.913 163 K CB 1.441 33.880 32.500 -0.102 0.000 1.008 163 K HN 0.130 nan 8.250 nan 0.000 0.490 164 L N 0.739 122.101 121.223 0.233 0.000 2.422 164 L HA 0.544 4.884 4.340 -0.000 0.000 0.264 164 L C -1.130 175.925 176.870 0.309 0.000 0.984 164 L CA -0.829 54.099 54.840 0.146 0.000 0.819 164 L CB 2.198 44.188 42.059 -0.115 0.000 1.330 164 L HN 0.706 nan 8.230 nan 0.000 0.410 165 A N 2.695 125.694 122.820 0.299 0.000 2.343 165 A HA 0.816 5.136 4.320 -0.000 0.000 0.308 165 A C -1.599 176.009 177.584 0.039 0.000 1.092 165 A CA -0.377 51.728 52.037 0.113 0.000 0.751 165 A CB 1.084 20.081 19.000 -0.006 0.000 1.203 165 A HN 0.639 nan 8.150 nan 0.000 0.452 166 Y N -0.289 119.964 120.300 -0.078 0.000 2.588 166 Y HA 0.775 5.325 4.550 -0.000 0.000 0.343 166 Y C -1.212 174.691 175.900 0.006 0.000 1.065 166 Y CA -1.644 56.386 58.100 -0.117 0.000 1.038 166 Y CB 1.187 39.504 38.460 -0.239 0.000 1.297 166 Y HN 0.369 nan 8.280 nan 0.000 0.467 167 V N 2.396 122.440 119.914 0.217 0.000 2.417 167 V HA 0.357 4.477 4.120 -0.000 0.000 0.291 167 V C -1.416 174.884 176.094 0.344 0.000 1.024 167 V CA -0.592 61.811 62.300 0.172 0.000 0.861 167 V CB 1.201 33.033 31.823 0.015 0.000 0.985 167 V HN 0.876 nan 8.190 nan 0.000 0.436 168 W N 5.041 126.442 121.300 0.168 0.000 3.097 168 W HA 0.465 5.125 4.660 -0.000 0.000 0.335 168 W C 0.303 176.874 176.519 0.087 0.000 1.114 168 W CA -0.769 56.638 57.345 0.103 0.000 1.231 168 W CB 1.232 30.716 29.460 0.040 0.000 1.388 168 W HN 0.782 nan 8.180 nan 0.000 0.485 169 N N 5.548 123.871 118.700 -0.627 0.000 2.727 169 N HA -0.351 4.389 4.740 -0.000 0.000 0.249 169 N C 0.140 175.475 175.510 -0.292 0.000 1.048 169 N CA 1.031 53.705 53.050 -0.628 0.000 0.714 169 N CB -1.107 36.760 38.487 -1.032 0.000 0.959 169 N HN 0.861 nan 8.380 nan 0.000 0.544 170 N N -1.729 116.866 118.700 -0.175 0.000 2.828 170 N HA -0.171 4.569 4.740 -0.000 0.000 0.248 170 N C -1.274 174.160 175.510 -0.127 0.000 1.044 170 N CA 1.107 54.075 53.050 -0.137 0.000 0.851 170 N CB -0.354 38.009 38.487 -0.206 0.000 1.136 170 N HN 0.438 nan 8.380 nan 0.000 0.572 171 D N 0.509 120.851 120.400 -0.097 0.000 2.340 171 D HA 0.482 5.122 4.640 -0.000 0.000 0.240 171 D C 0.206 176.351 176.300 -0.259 0.000 1.001 171 D CA -0.374 53.492 54.000 -0.222 0.000 0.888 171 D CB 1.645 42.263 40.800 -0.304 0.000 1.310 171 D HN 0.027 nan 8.370 nan 0.000 0.474 172 I N 1.657 121.915 120.570 -0.520 0.000 2.396 172 I HA 0.230 4.400 4.170 -0.000 0.000 0.292 172 I C -0.694 174.961 176.117 -0.769 0.000 0.999 172 I CA -0.422 60.551 61.300 -0.545 0.000 1.310 172 I CB 0.547 38.136 38.000 -0.684 0.000 1.404 172 I HN 0.160 nan 8.210 nan 0.000 0.496 173 Y N 4.097 124.006 120.300 -0.652 0.000 2.512 173 Y HA 0.600 5.150 4.550 -0.000 0.000 0.348 173 Y C -0.364 175.157 175.900 -0.631 0.000 0.990 173 Y CA -0.912 56.748 58.100 -0.733 0.000 1.033 173 Y CB 2.104 39.846 38.460 -1.197 0.000 1.259 173 Y HN 0.107 nan 8.280 nan 0.000 0.461 174 V N 2.912 122.735 119.914 -0.150 0.000 2.531 174 V HA 0.422 4.542 4.120 -0.000 0.000 0.301 174 V C -0.751 175.450 176.094 0.178 0.000 1.034 174 V CA -1.308 61.008 62.300 0.027 0.000 0.865 174 V CB 1.893 33.761 31.823 0.075 0.000 0.995 174 V HN 0.608 nan 8.190 nan 0.000 0.424 175 K N 4.000 124.517 120.400 0.194 0.000 2.367 175 K HA 0.543 4.863 4.320 -0.000 0.000 0.263 175 K C 0.662 177.390 176.600 0.213 0.000 1.000 175 K CA -0.459 55.932 56.287 0.175 0.000 0.891 175 K CB 1.428 34.003 32.500 0.124 0.000 1.117 175 K HN 0.595 nan 8.250 nan 0.000 0.443 176 I N 1.352 122.072 120.570 0.249 0.000 2.315 176 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 176 I C 0.471 176.715 176.117 0.213 0.000 1.117 176 I CA 1.219 62.657 61.300 0.230 0.000 1.404 176 I CB 0.233 38.389 38.000 0.260 0.000 1.071 176 I HN 0.488 nan 8.210 nan 0.000 0.419 177 E N -0.503 119.794 120.200 0.162 0.000 2.272 177 E HA 0.241 4.591 4.350 -0.000 0.000 0.269 177 E C -1.897 174.684 176.600 -0.032 0.000 0.877 177 E CA -1.887 54.584 56.400 0.118 0.000 0.755 177 E CB 1.816 31.579 29.700 0.105 0.000 1.192 177 E HN -0.221 nan 8.360 nan 0.000 0.422 178 P HA -0.201 nan 4.420 nan 0.000 0.216 178 P C 0.744 177.943 177.300 -0.169 0.000 1.154 178 P CA 1.567 64.490 63.100 -0.296 0.000 0.865 178 P CB 0.288 31.541 31.700 -0.744 0.000 0.789 179 N N -1.820 116.804 118.700 -0.126 0.000 2.270 179 N HA 0.042 4.782 4.740 -0.000 0.000 0.198 179 N C -0.049 175.430 175.510 -0.052 0.000 1.117 179 N CA 0.230 53.239 53.050 -0.068 0.000 0.845 179 N CB -0.390 38.077 38.487 -0.033 0.000 0.980 179 N HN 0.078 nan 8.380 nan 0.000 0.486 180 L N 0.848 122.040 121.223 -0.051 0.000 2.375 180 L HA 0.564 4.904 4.340 -0.000 0.000 0.268 180 L C -2.125 174.687 176.870 -0.097 0.000 1.058 180 L CA -2.141 52.666 54.840 -0.054 0.000 0.803 180 L CB 0.736 42.782 42.059 -0.022 0.000 1.212 180 L HN -0.118 nan 8.230 nan 0.000 0.451 181 P HA 0.068 nan 4.420 nan 0.000 0.269 181 P C -0.752 176.380 177.300 -0.281 0.000 1.209 181 P CA -0.127 62.862 63.100 -0.185 0.000 0.776 181 P CB 0.651 32.239 31.700 -0.188 0.000 0.876 182 S N 2.003 117.588 115.700 -0.193 0.000 2.586 182 S HA 0.372 4.842 4.470 -0.000 0.000 0.274 182 S C -1.046 173.429 174.600 -0.207 0.000 1.281 182 S CA -0.370 57.749 58.200 -0.137 0.000 1.035 182 S CB -0.068 63.167 63.200 0.059 0.000 0.962 182 S HN 0.181 nan 8.310 nan 0.000 0.512 183 Y N 2.480 122.794 120.300 0.023 0.000 2.326 183 Y HA 0.413 4.963 4.550 -0.000 0.000 0.337 183 Y C 0.851 176.674 175.900 -0.127 0.000 1.023 183 Y CA -0.604 57.487 58.100 -0.015 0.000 1.143 183 Y CB 0.760 39.211 38.460 -0.016 0.000 1.183 183 Y HN 0.562 nan 8.280 nan 0.000 0.485 184 R N 4.124 124.571 120.500 -0.088 0.000 2.267 184 R HA 0.217 4.557 4.340 -0.000 0.000 0.319 184 R C 0.197 176.228 176.300 -0.449 0.000 1.067 184 R CA -0.101 55.639 56.100 -0.601 0.000 0.936 184 R CB 0.414 30.131 30.300 -0.971 0.000 1.006 184 R HN 0.783 nan 8.270 nan 0.000 0.452 185 I N 1.907 122.139 120.570 -0.562 0.000 2.585 185 I HA -0.017 4.153 4.170 -0.000 0.000 0.254 185 I C 1.264 177.189 176.117 -0.321 0.000 1.129 185 I CA 0.939 62.025 61.300 -0.357 0.000 1.455 185 I CB -0.429 37.314 38.000 -0.429 0.000 1.111 185 I HN 0.511 nan 8.210 nan 0.000 0.433 186 T N -1.456 112.783 114.554 -0.525 0.000 2.907 186 T HA 0.372 4.722 4.350 -0.000 0.000 0.292 186 T C -1.266 173.201 174.700 -0.388 0.000 1.043 186 T CA -0.351 61.566 62.100 -0.306 0.000 1.003 186 T CB 1.303 69.961 68.868 -0.350 0.000 1.084 186 T HN 0.152 nan 8.240 nan 0.000 0.483 187 W N 1.208 122.393 121.300 -0.192 0.000 2.518 187 W HA 0.244 4.903 4.660 -0.000 0.000 0.352 187 W C 1.850 178.309 176.519 -0.099 0.000 0.952 187 W CA -0.102 57.165 57.345 -0.129 0.000 1.624 187 W CB -0.093 29.314 29.460 -0.089 0.000 1.135 187 W HN 0.801 nan 8.180 nan 0.000 0.540 188 T N -2.755 111.842 114.554 0.071 0.000 3.086 188 T HA 0.286 4.636 4.350 -0.000 0.000 0.250 188 T C 1.233 175.923 174.700 -0.016 0.000 1.074 188 T CA 0.209 62.328 62.100 0.033 0.000 0.988 188 T CB -0.127 68.754 68.868 0.023 0.000 0.988 188 T HN 0.009 nan 8.240 nan 0.000 0.530 189 G N 1.338 110.100 108.800 -0.062 0.000 2.265 189 G HA2 0.341 4.301 3.960 -0.000 0.000 0.240 189 G HA3 0.341 4.301 3.960 -0.000 0.000 0.240 189 G C -0.599 174.235 174.900 -0.111 0.000 1.270 189 G CA -0.372 44.665 45.100 -0.105 0.000 0.901 189 G HN 0.584 nan 8.290 nan 0.000 0.507 190 K N 1.946 122.258 120.400 -0.147 0.000 2.619 190 K HA 0.172 4.492 4.320 -0.000 0.000 0.251 190 K C -0.093 176.384 176.600 -0.204 0.000 0.987 190 K CA -0.660 55.544 56.287 -0.138 0.000 0.844 190 K CB 1.413 33.870 32.500 -0.073 0.000 1.237 190 K HN 0.619 nan 8.250 nan 0.000 0.447 191 E N 3.340 123.427 120.200 -0.188 0.000 2.765 191 E HA -0.185 4.165 4.350 -0.000 0.000 0.256 191 E C -0.556 175.957 176.600 -0.145 0.000 0.935 191 E CA 1.194 57.483 56.400 -0.184 0.000 0.954 191 E CB 0.228 29.856 29.700 -0.119 0.000 0.908 191 E HN 0.683 nan 8.360 nan 0.000 0.500 192 D N 2.478 122.779 120.400 -0.165 0.000 3.059 192 D HA -0.241 4.399 4.640 -0.000 0.000 0.213 192 D C 0.514 176.870 176.300 0.092 0.000 1.144 192 D CA 1.250 55.279 54.000 0.049 0.000 0.975 192 D CB -0.448 40.412 40.800 0.100 0.000 1.125 192 D HN 0.403 nan 8.370 nan 0.000 0.412 193 I N -0.714 119.818 120.570 -0.063 0.000 3.669 193 I HA 0.209 4.378 4.170 -0.000 0.000 0.255 193 I C 0.994 177.185 176.117 0.123 0.000 1.144 193 I CA 0.413 61.759 61.300 0.076 0.000 1.447 193 I CB 0.130 38.149 38.000 0.032 0.000 1.622 193 I HN -0.130 nan 8.210 nan 0.000 0.435 194 I N 1.155 121.702 120.570 -0.038 0.000 2.389 194 I HA 0.253 4.423 4.170 -0.000 0.000 0.288 194 I C -1.426 174.661 176.117 -0.049 0.000 0.999 194 I CA -0.612 60.730 61.300 0.071 0.000 1.129 194 I CB 1.571 39.597 38.000 0.044 0.000 1.288 194 I HN -0.011 nan 8.210 nan 0.000 0.444 195 Y N 4.751 125.136 120.300 0.142 0.000 2.328 195 Y HA 0.408 4.958 4.550 -0.000 0.000 0.336 195 Y C 0.041 175.989 175.900 0.080 0.000 0.960 195 Y CA -1.014 57.169 58.100 0.139 0.000 1.134 195 Y CB 1.029 39.657 38.460 0.279 0.000 1.166 195 Y HN 0.432 nan 8.280 nan 0.000 0.464 196 N N 1.969 120.725 118.700 0.093 0.000 2.417 196 N HA 0.365 5.105 4.740 -0.000 0.000 0.274 196 N C 0.831 176.272 175.510 -0.114 0.000 0.987 196 N CA 0.414 53.447 53.050 -0.027 0.000 0.912 196 N CB 1.923 40.300 38.487 -0.184 0.000 1.177 196 N HN 0.960 nan 8.380 nan 0.000 0.490 197 G N 1.513 110.259 108.800 -0.091 0.000 2.212 197 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.266 197 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.266 197 G C 0.136 174.887 174.900 -0.249 0.000 0.978 197 G CA 0.835 45.812 45.100 -0.205 0.000 0.632 197 G HN 0.660 nan 8.290 nan 0.000 0.537 198 I N -1.683 118.817 120.570 -0.117 0.000 2.934 198 I HA 0.802 4.972 4.170 -0.000 0.000 0.306 198 I C 0.319 176.495 176.117 0.099 0.000 1.110 198 I CA -0.666 60.490 61.300 -0.239 0.000 1.019 198 I CB 2.019 39.710 38.000 -0.516 0.000 1.227 198 I HN 0.161 nan 8.210 nan 0.000 0.434 199 T N -0.392 114.151 114.554 -0.018 0.000 2.899 199 T HA 0.375 4.725 4.350 -0.000 0.000 0.284 199 T C -0.211 174.328 174.700 -0.268 0.000 1.004 199 T CA -0.661 61.295 62.100 -0.238 0.000 1.043 199 T CB 1.290 70.071 68.868 -0.146 0.000 1.013 199 T HN 0.766 nan 8.240 nan 0.000 0.518 200 D N 0.232 120.210 120.400 -0.704 0.000 2.478 200 D HA 0.045 4.685 4.640 -0.000 0.000 0.269 200 D C 0.955 177.184 176.300 -0.118 0.000 1.232 200 D CA -1.120 52.458 54.000 -0.702 0.000 1.059 200 D CB 0.162 40.465 40.800 -0.829 0.000 1.104 200 D HN 0.694 nan 8.370 nan 0.000 0.566 201 W N 0.233 121.490 121.300 -0.071 0.000 2.317 201 W HA -0.240 4.420 4.660 0.000 0.000 0.318 201 W C 2.199 178.617 176.519 -0.168 0.000 1.227 201 W CA 2.532 59.822 57.345 -0.091 0.000 1.269 201 W CB -0.494 28.856 29.460 -0.184 0.000 1.155 201 W HN 0.198 nan 8.180 nan 0.000 0.484 202 V N -0.219 119.764 119.914 0.115 0.000 2.515 202 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 202 V C 1.839 177.762 176.094 -0.285 0.000 1.058 202 V CA 1.962 64.208 62.300 -0.091 0.000 1.064 202 V CB -0.719 31.056 31.823 -0.081 0.000 0.675 202 V HN 0.304 nan 8.190 nan 0.000 0.461 203 Y N 0.540 120.655 120.300 -0.307 0.000 2.314 203 Y HA -0.129 4.421 4.550 -0.000 0.000 0.293 203 Y C 2.563 178.357 175.900 -0.178 0.000 1.129 203 Y CA 2.004 59.930 58.100 -0.289 0.000 1.201 203 Y CB -0.020 38.131 38.460 -0.515 0.000 0.999 203 Y HN 0.381 nan 8.280 nan 0.000 0.541 204 E N 0.344 120.499 120.200 -0.076 0.000 2.028 204 E HA -0.277 4.073 4.350 -0.000 0.000 0.191 204 E C 2.016 178.564 176.600 -0.086 0.000 0.988 204 E CA 1.487 57.871 56.400 -0.026 0.000 0.799 204 E CB 0.008 29.694 29.700 -0.025 0.000 0.755 204 E HN 0.395 nan 8.360 nan 0.000 0.447 205 E N 0.288 120.252 120.200 -0.393 0.000 2.072 205 E HA -0.160 4.190 4.350 -0.000 0.000 0.190 205 E C 1.645 178.119 176.600 -0.211 0.000 0.982 205 E CA 1.507 57.662 56.400 -0.408 0.000 0.803 205 E CB 0.149 29.251 29.700 -0.996 0.000 0.755 205 E HN 0.207 nan 8.360 nan 0.000 0.453 206 E N -0.632 119.417 120.200 -0.251 0.000 2.431 206 E HA 0.056 4.406 4.350 -0.000 0.000 0.200 206 E C 1.584 178.041 176.600 -0.238 0.000 0.995 206 E CA 0.571 56.866 56.400 -0.176 0.000 0.915 206 E CB 1.137 30.728 29.700 -0.181 0.000 0.930 206 E HN 0.279 nan 8.360 nan 0.000 0.496 207 V N -1.390 118.338 119.914 -0.310 0.000 3.029 207 V HA 0.114 4.234 4.120 -0.000 0.000 0.230 207 V C 0.915 176.770 176.094 -0.397 0.000 1.254 207 V CA 0.301 62.339 62.300 -0.437 0.000 1.276 207 V CB -0.076 31.314 31.823 -0.722 0.000 1.080 207 V HN -0.005 nan 8.190 nan 0.000 0.495 208 F N 1.638 121.590 119.950 0.004 0.000 2.746 208 F HA 0.420 4.946 4.527 -0.000 0.000 0.297 208 F C 1.590 177.350 175.800 -0.068 0.000 1.113 208 F CA 0.648 58.670 58.000 0.037 0.000 1.367 208 F CB -0.155 38.917 39.000 0.120 0.000 1.111 208 F HN 0.199 nan 8.300 nan 0.000 0.590 209 S N 0.380 116.084 115.700 0.007 0.000 3.581 209 S HA -0.018 4.452 4.470 -0.000 0.000 0.354 209 S C 0.116 174.309 174.600 -0.678 0.000 1.059 209 S CA 0.426 58.487 58.200 -0.232 0.000 1.060 209 S CB -1.830 61.291 63.200 -0.132 0.000 0.908 209 S HN 0.664 nan 8.310 nan 0.000 0.475 210 A N -0.656 121.989 122.820 -0.292 0.000 2.601 210 A HA 0.704 5.024 4.320 -0.000 0.000 0.291 210 A C -0.303 177.261 177.584 -0.033 0.000 1.075 210 A CA -0.484 51.411 52.037 -0.237 0.000 0.671 210 A CB 0.237 19.108 19.000 -0.214 0.000 1.277 210 A HN 0.326 nan 8.150 nan 0.000 0.417 211 Y N 1.073 121.222 120.300 -0.252 0.000 2.448 211 Y HA 0.240 4.790 4.550 -0.000 0.000 0.289 211 Y C 1.503 177.115 175.900 -0.478 0.000 1.114 211 Y CA 0.906 58.865 58.100 -0.235 0.000 1.235 211 Y CB 0.021 38.402 38.460 -0.132 0.000 1.045 211 Y HN 0.650 nan 8.280 nan 0.000 0.554 212 S N 0.556 115.718 115.700 -0.897 0.000 2.549 212 S HA 0.461 4.931 4.470 -0.000 0.000 0.283 212 S C 0.347 174.416 174.600 -0.885 0.000 1.320 212 S CA 0.214 57.643 58.200 -1.286 0.000 1.058 212 S CB 0.454 62.524 63.200 -1.883 0.000 0.882 212 S HN 0.414 nan 8.310 nan 0.000 0.498 213 A N 4.430 126.743 122.820 -0.845 0.000 2.806 213 A HA 0.514 4.834 4.320 -0.000 0.000 0.266 213 A C -0.752 176.151 177.584 -1.134 0.000 0.926 213 A CA -0.597 50.912 52.037 -0.880 0.000 1.068 213 A CB -0.357 18.543 19.000 -0.166 0.000 1.189 213 A HN 0.840 nan 8.150 nan 0.000 0.481 214 L N -4.930 115.459 121.223 -1.391 0.000 2.409 214 L HA 0.915 5.255 4.340 -0.000 0.000 0.262 214 L C -1.286 175.039 176.870 -0.910 0.000 0.992 214 L CA -1.111 53.221 54.840 -0.847 0.000 0.817 214 L CB 1.140 42.944 42.059 -0.424 0.000 1.350 214 L HN 0.214 nan 8.230 nan 0.000 0.411 215 W N 1.564 122.911 121.300 0.078 0.000 2.687 215 W HA 0.332 4.992 4.660 -0.000 0.000 0.328 215 W C -1.449 175.259 176.519 0.315 0.000 1.012 215 W CA -0.748 56.758 57.345 0.268 0.000 1.262 215 W CB 1.490 31.194 29.460 0.408 0.000 1.331 215 W HN 0.610 nan 8.180 nan 0.000 0.433 216 W N 2.221 123.686 121.300 0.276 0.000 2.150 216 W HA 0.231 4.891 4.660 -0.000 0.000 0.341 216 W C 1.262 177.493 176.519 -0.480 0.000 1.276 216 W CA 0.358 57.709 57.345 0.010 0.000 1.238 216 W CB 0.756 30.221 29.460 0.009 0.000 1.128 216 W HN 0.171 nan 8.180 nan 0.000 0.581 217 S N 1.758 117.113 115.700 -0.574 0.000 2.614 217 S HA 0.236 4.706 4.470 -0.000 0.000 0.265 217 S C -1.857 172.480 174.600 -0.438 0.000 1.303 217 S CA -1.066 56.299 58.200 -1.391 0.000 1.000 217 S CB 1.068 63.592 63.200 -1.126 0.000 0.935 217 S HN 0.258 nan 8.310 nan 0.000 0.551 218 P HA -0.201 nan 4.420 nan 0.000 0.217 218 P C 0.956 178.232 177.300 -0.040 0.000 1.162 218 P CA 1.852 64.926 63.100 -0.044 0.000 0.901 218 P CB -0.200 31.525 31.700 0.042 0.000 0.793 219 N N -2.290 116.380 118.700 -0.049 0.000 2.280 219 N HA 0.119 4.859 4.740 -0.000 0.000 0.192 219 N C 1.103 176.554 175.510 -0.098 0.000 1.109 219 N CA 0.751 53.768 53.050 -0.054 0.000 0.855 219 N CB -0.623 37.848 38.487 -0.026 0.000 0.974 219 N HN 0.225 nan 8.380 nan 0.000 0.482 220 G N -1.222 107.525 108.800 -0.087 0.000 2.175 220 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.244 220 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.244 220 G C 0.946 175.894 174.900 0.080 0.000 0.982 220 G CA 0.605 45.666 45.100 -0.064 0.000 0.641 220 G HN 0.357 nan 8.290 nan 0.000 0.527 221 T N 0.142 114.674 114.554 -0.038 0.000 2.737 221 T HA 0.200 4.550 4.350 -0.000 0.000 0.265 221 T C 0.890 175.447 174.700 -0.238 0.000 1.038 221 T CA 1.304 63.283 62.100 -0.202 0.000 1.144 221 T CB -0.095 68.522 68.868 -0.418 0.000 0.866 221 T HN 0.292 nan 8.240 nan 0.000 0.434 222 F N 0.255 120.238 119.950 0.056 0.000 2.432 222 F HA 0.619 5.146 4.527 -0.000 0.000 0.329 222 F C -0.188 175.646 175.800 0.056 0.000 1.076 222 F CA -1.538 56.519 58.000 0.094 0.000 1.018 222 F CB 1.096 40.231 39.000 0.226 0.000 1.201 222 F HN -0.105 nan 8.300 nan 0.000 0.489 223 L N 2.664 124.016 121.223 0.215 0.000 2.377 223 L HA 0.763 5.103 4.340 -0.000 0.000 0.270 223 L C -0.631 176.322 176.870 0.139 0.000 0.991 223 L CA -0.453 54.329 54.840 -0.096 0.000 0.851 223 L CB 0.640 42.393 42.059 -0.511 0.000 1.218 223 L HN 0.655 nan 8.230 nan 0.000 0.420 224 A N 4.558 127.552 122.820 0.290 0.000 2.293 224 A HA 0.793 5.113 4.320 -0.000 0.000 0.302 224 A C -1.345 176.325 177.584 0.142 0.000 1.119 224 A CA -0.178 51.927 52.037 0.114 0.000 0.823 224 A CB 0.566 19.730 19.000 0.274 0.000 1.097 224 A HN 0.926 nan 8.150 nan 0.000 0.491 225 Y N -2.028 118.054 120.300 -0.362 0.000 2.592 225 Y HA 0.708 5.258 4.550 -0.000 0.000 0.334 225 Y C -0.429 175.321 175.900 -0.250 0.000 1.136 225 Y CA -0.857 57.135 58.100 -0.180 0.000 1.042 225 Y CB 0.718 39.042 38.460 -0.227 0.000 1.325 225 Y HN 0.954 nan 8.280 nan 0.000 0.457 226 A N 2.480 125.368 122.820 0.112 0.000 2.320 226 A HA 0.694 5.014 4.320 -0.000 0.000 0.334 226 A C -1.123 176.320 177.584 -0.234 0.000 1.147 226 A CA -0.841 51.128 52.037 -0.114 0.000 0.820 226 A CB 1.702 20.593 19.000 -0.181 0.000 1.218 226 A HN 0.816 nan 8.150 nan 0.000 0.482 227 Q N 1.156 120.764 119.800 -0.319 0.000 2.310 227 Q HA 0.587 4.926 4.340 -0.000 0.000 0.270 227 Q C -2.031 173.732 176.000 -0.394 0.000 1.025 227 Q CA -0.360 55.346 55.803 -0.162 0.000 0.772 227 Q CB 0.980 29.846 28.738 0.214 0.000 1.253 227 Q HN 0.592 nan 8.270 nan 0.000 0.450 228 F N 2.303 122.346 119.950 0.154 0.000 2.450 228 F HA 0.422 4.949 4.527 -0.000 0.000 0.332 228 F C 0.444 176.391 175.800 0.245 0.000 1.093 228 F CA -0.925 57.139 58.000 0.107 0.000 1.003 228 F CB 1.302 40.257 39.000 -0.075 0.000 1.151 228 F HN 0.447 nan 8.300 nan 0.000 0.474 229 N N 1.668 120.588 118.700 0.367 0.000 2.483 229 N HA 0.226 4.966 4.740 -0.000 0.000 0.267 229 N C -0.827 174.861 175.510 0.297 0.000 0.998 229 N CA -0.383 52.851 53.050 0.305 0.000 0.918 229 N CB 1.010 39.621 38.487 0.207 0.000 1.215 229 N HN 0.516 nan 8.380 nan 0.000 0.500 230 D N 1.390 121.993 120.400 0.338 0.000 2.368 230 D HA 0.113 4.753 4.640 -0.000 0.000 0.218 230 D C 1.203 177.626 176.300 0.205 0.000 1.112 230 D CA 0.209 54.381 54.000 0.287 0.000 0.834 230 D CB 0.484 41.514 40.800 0.383 0.000 0.953 230 D HN 0.503 nan 8.370 nan 0.000 0.505 231 T N 0.597 115.254 114.554 0.172 0.000 2.624 231 T HA -0.239 4.111 4.350 -0.000 0.000 0.266 231 T C 1.298 176.059 174.700 0.101 0.000 1.050 231 T CA 1.390 63.562 62.100 0.120 0.000 1.163 231 T CB -0.067 68.861 68.868 0.100 0.000 0.861 231 T HN 0.344 nan 8.240 nan 0.000 0.443 232 E N 0.428 120.689 120.200 0.102 0.000 2.465 232 E HA 0.172 4.522 4.350 -0.000 0.000 0.195 232 E C -0.343 176.311 176.600 0.089 0.000 1.028 232 E CA -0.160 56.289 56.400 0.083 0.000 0.899 232 E CB 0.509 30.251 29.700 0.070 0.000 1.032 232 E HN 0.255 nan 8.360 nan 0.000 0.468 233 V N 3.692 123.673 119.914 0.112 0.000 2.508 233 V HA 0.095 4.215 4.120 -0.000 0.000 0.281 233 V C -1.985 174.169 176.094 0.101 0.000 1.041 233 V CA -1.413 60.956 62.300 0.116 0.000 1.016 233 V CB 0.393 32.304 31.823 0.147 0.000 0.984 233 V HN 0.027 nan 8.190 nan 0.000 0.478 234 P HA 0.214 nan 4.420 nan 0.000 0.270 234 P C -0.728 176.610 177.300 0.064 0.000 1.223 234 P CA -0.160 62.979 63.100 0.065 0.000 0.785 234 P CB 0.479 32.216 31.700 0.061 0.000 0.923 235 L N 1.895 123.132 121.223 0.024 0.000 2.317 235 L HA 0.478 4.818 4.340 -0.000 0.000 0.281 235 L C 0.208 177.030 176.870 -0.080 0.000 1.024 235 L CA -0.989 53.847 54.840 -0.008 0.000 0.810 235 L CB 1.200 43.249 42.059 -0.016 0.000 1.240 235 L HN 0.285 nan 8.230 nan 0.000 0.427 236 I N 2.436 122.911 120.570 -0.159 0.000 2.396 236 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 236 I C -0.383 175.580 176.117 -0.256 0.000 0.999 236 I CA 0.236 61.347 61.300 -0.314 0.000 1.310 236 I CB 0.922 38.485 38.000 -0.728 0.000 1.404 236 I HN 0.571 nan 8.210 nan 0.000 0.496 237 E N 7.396 127.467 120.200 -0.215 0.000 2.248 237 E HA 0.540 4.890 4.350 -0.000 0.000 0.267 237 E C -1.789 174.736 176.600 -0.124 0.000 0.877 237 E CA -0.627 55.638 56.400 -0.224 0.000 0.759 237 E CB 2.136 31.739 29.700 -0.161 0.000 1.182 237 E HN 0.581 nan 8.360 nan 0.000 0.418 238 Y N -1.916 118.297 120.300 -0.146 0.000 2.609 238 Y HA 0.518 5.068 4.550 -0.000 0.000 0.336 238 Y C -0.722 175.108 175.900 -0.117 0.000 1.129 238 Y CA -1.255 56.766 58.100 -0.132 0.000 1.040 238 Y CB 0.833 39.219 38.460 -0.123 0.000 1.310 238 Y HN 0.227 nan 8.280 nan 0.000 0.460 239 S N 1.930 117.631 115.700 0.002 0.000 2.580 239 S HA 0.487 4.957 4.470 -0.000 0.000 0.274 239 S C -1.382 173.097 174.600 -0.202 0.000 1.329 239 S CA -0.336 57.729 58.200 -0.226 0.000 1.036 239 S CB 0.505 63.423 63.200 -0.469 0.000 0.919 239 S HN 0.539 nan 8.310 nan 0.000 0.515 240 F N 1.971 121.660 119.950 -0.436 0.000 2.536 240 F HA 0.430 4.957 4.527 -0.000 0.000 0.322 240 F C -0.345 175.211 175.800 -0.407 0.000 1.144 240 F CA -0.909 56.928 58.000 -0.272 0.000 0.924 240 F CB 0.835 39.801 39.000 -0.057 0.000 1.181 240 F HN 0.645 nan 8.300 nan 0.000 0.438 241 Y N 2.770 122.849 120.300 -0.369 0.000 2.448 241 Y HA 0.127 4.676 4.550 -0.000 0.000 0.289 241 Y C 1.701 177.510 175.900 -0.152 0.000 1.114 241 Y CA 1.081 59.054 58.100 -0.211 0.000 1.235 241 Y CB -0.535 37.794 38.460 -0.218 0.000 1.045 241 Y HN 0.737 nan 8.280 nan 0.000 0.554 242 S N -0.220 115.357 115.700 -0.205 0.000 3.513 242 S HA -0.221 4.249 4.470 -0.000 0.000 0.636 242 S C -0.491 174.143 174.600 0.055 0.000 2.452 242 S CA 0.250 58.493 58.200 0.072 0.000 2.644 242 S CB -1.115 62.235 63.200 0.251 0.000 0.331 242 S HN 0.455 nan 8.310 nan 0.000 1.787 243 D N 1.495 121.951 120.400 0.092 0.000 2.378 243 D HA 0.147 4.787 4.640 -0.000 0.000 0.238 243 D C 1.409 177.737 176.300 0.047 0.000 1.180 243 D CA 0.435 54.472 54.000 0.062 0.000 0.895 243 D CB 0.153 40.992 40.800 0.065 0.000 1.192 243 D HN 0.635 nan 8.370 nan 0.000 0.438 244 E N 0.407 120.624 120.200 0.028 0.000 2.171 244 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 244 E C 1.546 178.157 176.600 0.019 0.000 0.997 244 E CA 1.400 57.809 56.400 0.015 0.000 0.810 244 E CB 0.134 29.836 29.700 0.005 0.000 0.738 244 E HN 0.448 nan 8.360 nan 0.000 0.467 245 S N 0.172 115.889 115.700 0.028 0.000 2.447 245 S HA -0.086 4.384 4.470 -0.000 0.000 0.233 245 S C 1.164 175.788 174.600 0.039 0.000 1.006 245 S CA 0.055 58.273 58.200 0.029 0.000 0.957 245 S CB -0.204 63.016 63.200 0.033 0.000 0.773 245 S HN 0.262 nan 8.310 nan 0.000 0.507 246 L N 2.491 123.745 121.223 0.053 0.000 2.456 246 L HA 0.124 4.464 4.340 -0.000 0.000 0.277 246 L C 1.602 178.504 176.870 0.054 0.000 1.124 246 L CA 0.105 54.988 54.840 0.072 0.000 0.880 246 L CB 0.857 42.972 42.059 0.094 0.000 1.192 246 L HN 0.461 nan 8.230 nan 0.000 0.463 247 Q N 4.192 124.029 119.800 0.061 0.000 2.079 247 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 247 Q C -0.604 175.314 176.000 -0.137 0.000 0.974 247 Q CA 1.423 57.210 55.803 -0.027 0.000 0.840 247 Q CB 0.206 28.957 28.738 0.020 0.000 0.898 247 Q HN 0.595 nan 8.270 nan 0.000 0.430 248 Y N 0.466 120.778 120.300 0.019 0.000 2.341 248 Y HA 0.389 4.939 4.550 -0.000 0.000 0.338 248 Y C -2.059 173.846 175.900 0.009 0.000 0.965 248 Y CA -2.974 55.133 58.100 0.012 0.000 1.108 248 Y CB 1.335 39.794 38.460 -0.001 0.000 1.180 248 Y HN 0.136 nan 8.280 nan 0.000 0.458 249 P HA 0.064 nan 4.420 nan 0.000 0.269 249 P C -0.986 176.318 177.300 0.007 0.000 1.215 249 P CA -0.471 62.635 63.100 0.010 0.000 0.780 249 P CB 0.546 32.186 31.700 -0.099 0.000 0.898 250 K N -0.143 120.248 120.400 -0.016 0.000 2.118 250 K HA 0.582 4.902 4.320 -0.000 0.000 0.254 250 K C -0.839 175.717 176.600 -0.073 0.000 0.961 250 K CA -0.682 55.596 56.287 -0.014 0.000 0.876 250 K CB 0.742 33.255 32.500 0.022 0.000 1.077 250 K HN 0.166 nan 8.250 nan 0.000 0.440 251 T N 1.941 116.437 114.554 -0.096 0.000 2.743 251 T HA 0.218 4.568 4.350 -0.000 0.000 0.292 251 T C -0.303 174.271 174.700 -0.209 0.000 0.972 251 T CA -0.680 61.328 62.100 -0.154 0.000 0.967 251 T CB 0.961 69.752 68.868 -0.128 0.000 0.926 251 T HN 0.363 nan 8.240 nan 0.000 0.459 252 V N 6.095 125.792 119.914 -0.361 0.000 2.546 252 V HA 0.538 4.658 4.120 -0.000 0.000 0.284 252 V C 0.379 176.186 176.094 -0.478 0.000 1.050 252 V CA -0.631 61.397 62.300 -0.453 0.000 0.981 252 V CB 0.679 32.072 31.823 -0.717 0.000 0.990 252 V HN 0.797 nan 8.190 nan 0.000 0.474 253 R N 4.066 124.414 120.500 -0.253 0.000 2.533 253 R HA 0.781 5.121 4.340 -0.000 0.000 0.288 253 R C -1.679 174.597 176.300 -0.041 0.000 1.039 253 R CA -0.586 55.409 56.100 -0.175 0.000 0.909 253 R CB 1.714 31.942 30.300 -0.119 0.000 1.195 253 R HN 0.532 nan 8.270 nan 0.000 0.438 254 V N 0.838 120.737 119.914 -0.025 0.000 2.789 254 V HA 0.586 4.706 4.120 -0.000 0.000 0.311 254 V C -2.846 173.302 176.094 0.091 0.000 1.073 254 V CA -2.474 59.889 62.300 0.104 0.000 0.921 254 V CB 2.647 34.583 31.823 0.188 0.000 1.009 254 V HN 0.608 nan 8.190 nan 0.000 0.426 255 P HA 0.224 nan 4.420 nan 0.000 0.265 255 P C -1.737 175.676 177.300 0.188 0.000 1.222 255 P CA 0.632 63.841 63.100 0.183 0.000 0.767 255 P CB -0.361 31.490 31.700 0.252 0.000 0.801 256 Y N 6.627 126.906 120.300 -0.035 0.000 2.315 256 Y HA 0.400 4.950 4.550 0.000 0.000 0.324 256 Y C -2.743 173.133 175.900 -0.039 0.000 1.062 256 Y CA -2.919 55.112 58.100 -0.115 0.000 1.159 256 Y CB 1.826 40.087 38.460 -0.331 0.000 1.145 256 Y HN 0.281 nan 8.280 nan 0.000 0.442 257 P HA 0.269 nan 4.420 nan 0.000 0.292 257 P C -1.036 176.325 177.300 0.102 0.000 1.326 257 P CA -0.272 62.882 63.100 0.089 0.000 0.787 257 P CB 1.550 33.283 31.700 0.055 0.000 0.903 258 K N 1.985 122.521 120.400 0.226 0.000 2.098 258 K HA 0.519 4.839 4.320 -0.000 0.000 0.244 258 K C 0.495 177.195 176.600 0.166 0.000 1.014 258 K CA -0.757 55.681 56.287 0.251 0.000 0.917 258 K CB 0.656 33.315 32.500 0.265 0.000 1.072 258 K HN 0.458 nan 8.250 nan 0.000 0.477 259 A N 0.862 123.802 122.820 0.201 0.000 2.573 259 A HA 0.244 4.564 4.320 -0.000 0.000 0.250 259 A C 1.202 178.821 177.584 0.058 0.000 1.049 259 A CA 1.127 53.269 52.037 0.173 0.000 0.767 259 A CB -1.285 17.900 19.000 0.309 0.000 0.965 259 A HN 0.920 nan 8.150 nan 0.000 0.514 260 G N 0.970 109.795 108.800 0.042 0.000 2.205 260 G HA2 0.105 4.065 3.960 -0.000 0.000 0.261 260 G HA3 0.105 4.065 3.960 -0.000 0.000 0.261 260 G C 0.688 175.599 174.900 0.018 0.000 0.980 260 G CA 0.783 45.880 45.100 -0.004 0.000 0.632 260 G HN 2.193 nan 8.290 nan 0.000 0.533 261 A N -0.343 122.506 122.820 0.049 0.000 2.249 261 A HA 0.751 5.071 4.320 -0.000 0.000 0.281 261 A C 0.854 178.472 177.584 0.056 0.000 1.127 261 A CA 0.309 52.379 52.037 0.055 0.000 0.833 261 A CB 0.652 19.701 19.000 0.080 0.000 1.140 261 A HN 1.153 nan 8.150 nan 0.000 0.502 262 V N 2.315 122.264 119.914 0.058 0.000 2.529 262 V HA 0.029 4.149 4.120 -0.000 0.000 0.292 262 V C 0.310 176.453 176.094 0.081 0.000 1.028 262 V CA -0.026 62.310 62.300 0.060 0.000 1.074 262 V CB -0.128 31.731 31.823 0.060 0.000 0.958 262 V HN 0.792 nan 8.190 nan 0.000 0.481 263 N N 6.292 125.041 118.700 0.081 0.000 2.495 263 N HA 0.487 5.227 4.740 -0.000 0.000 0.280 263 N C -2.348 173.250 175.510 0.147 0.000 1.168 263 N CA -1.478 51.644 53.050 0.119 0.000 0.978 263 N CB 1.208 39.766 38.487 0.118 0.000 1.191 263 N HN 0.406 nan 8.380 nan 0.000 0.497 264 P HA 0.131 nan 4.420 nan 0.000 0.274 264 P C -0.516 176.942 177.300 0.264 0.000 1.237 264 P CA -0.200 63.053 63.100 0.254 0.000 0.793 264 P CB 0.520 32.409 31.700 0.314 0.000 0.977 265 T N -1.695 112.994 114.554 0.225 0.000 2.936 265 T HA 0.598 4.948 4.350 -0.000 0.000 0.282 265 T C -0.248 174.586 174.700 0.223 0.000 1.003 265 T CA -0.835 61.364 62.100 0.164 0.000 1.005 265 T CB 1.453 70.383 68.868 0.102 0.000 1.097 265 T HN 0.354 nan 8.240 nan 0.000 0.532 266 V N 0.146 120.165 119.914 0.175 0.000 2.925 266 V HA 0.734 4.854 4.120 -0.000 0.000 0.311 266 V C -1.572 174.608 176.094 0.144 0.000 1.104 266 V CA -0.866 61.511 62.300 0.127 0.000 0.954 266 V CB 2.127 34.062 31.823 0.188 0.000 1.022 266 V HN 1.045 nan 8.190 nan 0.000 0.427 267 K N 4.263 124.683 120.400 0.034 0.000 2.435 267 K HA 0.601 4.921 4.320 -0.000 0.000 0.251 267 K C -1.941 174.578 176.600 -0.134 0.000 0.954 267 K CA -0.518 55.750 56.287 -0.033 0.000 0.820 267 K CB 2.781 35.253 32.500 -0.047 0.000 1.292 267 K HN 0.550 nan 8.250 nan 0.000 0.436 268 F N 2.180 121.819 119.950 -0.518 0.000 2.540 268 F HA 0.573 5.100 4.527 -0.000 0.000 0.317 268 F C -1.495 173.755 175.800 -0.916 0.000 1.104 268 F CA -0.687 57.001 58.000 -0.520 0.000 0.913 268 F CB 0.891 39.724 39.000 -0.279 0.000 1.170 268 F HN 0.388 nan 8.300 nan 0.000 0.450 269 F N 3.664 122.896 119.950 -1.198 0.000 2.629 269 F HA 0.792 5.318 4.527 -0.000 0.000 0.316 269 F C -0.999 174.161 175.800 -1.066 0.000 1.081 269 F CA -1.256 56.157 58.000 -0.978 0.000 0.954 269 F CB 2.016 40.396 39.000 -1.034 0.000 1.337 269 F HN 0.137 nan 8.300 nan 0.000 0.474 270 V N 2.104 121.821 119.914 -0.329 0.000 2.686 270 V HA 0.633 4.753 4.120 -0.000 0.000 0.306 270 V C -1.320 174.874 176.094 0.167 0.000 1.065 270 V CA -0.794 61.395 62.300 -0.186 0.000 0.894 270 V CB 2.054 33.559 31.823 -0.531 0.000 1.004 270 V HN 0.624 nan 8.190 nan 0.000 0.424 271 V N 4.527 124.608 119.914 0.278 0.000 2.656 271 V HA 0.531 4.651 4.120 -0.000 0.000 0.307 271 V C -0.209 176.098 176.094 0.356 0.000 1.051 271 V CA -0.624 61.860 62.300 0.306 0.000 0.893 271 V CB 2.036 33.974 31.823 0.190 0.000 0.999 271 V HN 1.007 nan 8.190 nan 0.000 0.426 272 N N 3.062 121.938 118.700 0.293 0.000 2.406 272 N HA 0.147 4.887 4.740 -0.000 0.000 0.251 272 N C 1.123 176.602 175.510 -0.051 0.000 1.069 272 N CA 0.355 53.416 53.050 0.017 0.000 0.947 272 N CB 1.220 39.682 38.487 -0.042 0.000 1.111 272 N HN 0.885 nan 8.380 nan 0.000 0.497 273 T N -0.115 114.399 114.554 -0.066 0.000 3.113 273 T HA 0.015 4.365 4.350 -0.000 0.000 0.256 273 T C 0.543 175.192 174.700 -0.085 0.000 1.131 273 T CA 0.520 62.598 62.100 -0.037 0.000 1.074 273 T CB 0.116 69.058 68.868 0.124 0.000 0.944 273 T HN 0.403 nan 8.240 nan 0.000 0.516 274 D N 1.104 121.428 120.400 -0.127 0.000 2.339 274 D HA 0.167 4.807 4.640 -0.000 0.000 0.217 274 D C 1.116 177.350 176.300 -0.109 0.000 1.050 274 D CA 0.249 54.181 54.000 -0.113 0.000 0.856 274 D CB 0.296 41.016 40.800 -0.134 0.000 0.922 274 D HN 0.399 nan 8.370 nan 0.000 0.518 275 S N 0.372 116.002 115.700 -0.117 0.000 2.593 275 S HA 0.158 4.628 4.470 -0.000 0.000 0.236 275 S C 0.792 175.317 174.600 -0.125 0.000 0.991 275 S CA -0.454 57.694 58.200 -0.086 0.000 0.963 275 S CB 0.372 63.552 63.200 -0.033 0.000 0.865 275 S HN 0.262 nan 8.310 nan 0.000 0.488 276 L N 0.702 121.771 121.223 -0.257 0.000 2.350 276 L HA 0.620 4.960 4.340 -0.000 0.000 0.275 276 L C 0.788 177.427 176.870 -0.386 0.000 1.099 276 L CA -0.449 54.142 54.840 -0.416 0.000 0.808 276 L CB 0.881 42.450 42.059 -0.818 0.000 1.149 276 L HN 0.161 nan 8.230 nan 0.000 0.442 277 S N 1.725 117.335 115.700 -0.150 0.000 2.696 277 S HA 0.243 4.713 4.470 -0.000 0.000 0.172 277 S C 1.011 175.829 174.600 0.363 0.000 0.767 277 S CA 0.708 58.951 58.200 0.071 0.000 0.856 277 S CB 0.163 63.405 63.200 0.071 0.000 0.782 277 S HN 1.134 nan 8.310 nan 0.000 0.582 278 S N -1.329 114.558 115.700 0.310 0.000 2.026 278 S HA -0.042 4.428 4.470 -0.000 0.000 0.121 278 S C 0.991 175.699 174.600 0.181 0.000 0.593 278 S CA 0.408 58.788 58.200 0.299 0.000 1.663 278 S CB -0.989 62.336 63.200 0.208 0.000 0.929 278 S HN 0.510 nan 8.310 nan 0.000 0.407 279 V N 2.389 122.387 119.914 0.139 0.000 2.672 279 V HA 0.295 4.415 4.120 -0.000 0.000 0.242 279 V C 1.157 177.305 176.094 0.089 0.000 1.059 279 V CA 1.604 63.962 62.300 0.098 0.000 1.081 279 V CB -0.157 31.709 31.823 0.070 0.000 0.752 279 V HN 0.612 nan 8.190 nan 0.000 0.472 280 T N 1.544 116.150 114.554 0.087 0.000 2.909 280 T HA 0.319 4.669 4.350 -0.000 0.000 0.286 280 T C -0.077 174.679 174.700 0.094 0.000 1.002 280 T CA -0.364 61.775 62.100 0.066 0.000 1.074 280 T CB 0.701 69.597 68.868 0.046 0.000 0.984 280 T HN 0.199 nan 8.240 nan 0.000 0.495 281 N N 1.670 120.416 118.700 0.076 0.000 2.514 281 N HA 0.407 5.147 4.740 -0.000 0.000 0.277 281 N C 0.056 175.623 175.510 0.094 0.000 1.126 281 N CA -0.353 52.771 53.050 0.123 0.000 0.978 281 N CB 0.868 39.395 38.487 0.067 0.000 1.106 281 N HN 0.801 nan 8.380 nan 0.000 0.461 282 A N 1.705 124.589 122.820 0.107 0.000 2.561 282 A HA 0.163 4.483 4.320 -0.000 0.000 0.234 282 A C 0.287 177.912 177.584 0.068 0.000 1.055 282 A CA 0.304 52.374 52.037 0.055 0.000 0.756 282 A CB -0.147 18.865 19.000 0.021 0.000 0.986 282 A HN 0.549 nan 8.150 nan 0.000 0.505 283 T N 2.605 117.204 114.554 0.075 0.000 2.767 283 T HA 0.441 4.791 4.350 -0.000 0.000 0.288 283 T C 0.047 174.830 174.700 0.140 0.000 0.963 283 T CA -0.026 62.134 62.100 0.101 0.000 1.019 283 T CB 0.824 69.760 68.868 0.112 0.000 0.923 283 T HN 0.530 nan 8.240 nan 0.000 0.468 284 S N 3.194 118.976 115.700 0.137 0.000 2.438 284 S HA 0.437 4.907 4.470 -0.000 0.000 0.316 284 S C -0.138 174.625 174.600 0.272 0.000 1.084 284 S CA -0.677 57.633 58.200 0.184 0.000 1.107 284 S CB 0.159 63.397 63.200 0.063 0.000 0.981 284 S HN 0.449 nan 8.310 nan 0.000 0.466 285 I N 3.345 124.087 120.570 0.286 0.000 2.352 285 I HA 0.223 4.393 4.170 -0.000 0.000 0.290 285 I C 0.568 176.803 176.117 0.196 0.000 1.036 285 I CA 0.053 61.526 61.300 0.287 0.000 1.336 285 I CB 0.854 39.104 38.000 0.417 0.000 1.407 285 I HN 0.574 nan 8.210 nan 0.000 0.497 286 Q N 6.234 126.114 119.800 0.133 0.000 2.261 286 Q HA 0.530 4.870 4.340 -0.000 0.000 0.252 286 Q C -1.040 174.905 176.000 -0.092 0.000 0.915 286 Q CA -0.476 55.223 55.803 -0.173 0.000 0.915 286 Q CB 1.027 29.610 28.738 -0.259 0.000 1.204 286 Q HN 0.556 nan 8.270 nan 0.000 0.421 287 I N 4.249 124.750 120.570 -0.114 0.000 2.354 287 I HA 0.207 4.377 4.170 -0.000 0.000 0.286 287 I C 0.667 176.776 176.117 -0.014 0.000 1.007 287 I CA -0.399 60.905 61.300 0.006 0.000 1.167 287 I CB 1.437 39.485 38.000 0.080 0.000 1.320 287 I HN 0.779 nan 8.210 nan 0.000 0.458 288 T N 3.317 117.822 114.554 -0.081 0.000 2.923 288 T HA 0.829 5.179 4.350 -0.000 0.000 0.282 288 T C 0.713 175.215 174.700 -0.330 0.000 1.137 288 T CA 0.198 62.189 62.100 -0.183 0.000 0.958 288 T CB 0.960 69.731 68.868 -0.161 0.000 1.961 288 T HN 0.932 nan 8.240 nan 0.000 0.586 289 A N 0.747 123.321 122.820 -0.410 0.000 6.484 289 A HA 0.006 4.326 4.320 -0.000 0.000 0.261 289 A C -2.653 174.387 177.584 -0.907 0.000 2.084 289 A CA 0.097 51.837 52.037 -0.494 0.000 0.721 289 A CB -2.753 16.068 19.000 -0.299 0.000 1.059 289 A HN 0.859 nan 8.150 nan 0.000 0.382 290 P HA 0.496 nan 4.420 nan 0.000 0.276 290 P C 0.941 178.031 177.300 -0.350 0.000 1.244 290 P CA 0.507 63.371 63.100 -0.393 0.000 0.801 290 P CB 0.831 32.376 31.700 -0.260 0.000 1.006 291 A N 1.907 124.589 122.820 -0.230 0.000 1.948 291 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 291 A C 2.059 179.531 177.584 -0.188 0.000 1.177 291 A CA 2.475 54.397 52.037 -0.193 0.000 0.636 291 A CB -1.917 17.003 19.000 -0.132 0.000 0.815 291 A HN 0.624 nan 8.150 nan 0.000 0.449 292 S N -1.456 114.152 115.700 -0.153 0.000 2.465 292 S HA -0.111 4.359 4.470 -0.000 0.000 0.241 292 S C 1.697 176.200 174.600 -0.161 0.000 1.000 292 S CA 1.601 59.724 58.200 -0.129 0.000 0.964 292 S CB -0.285 62.910 63.200 -0.009 0.000 0.763 292 S HN 0.417 nan 8.310 nan 0.000 0.512 293 M N 0.707 120.153 119.600 -0.256 0.000 2.718 293 M HA 0.377 4.857 4.480 -0.000 0.000 0.259 293 M C 2.052 178.070 176.300 -0.470 0.000 1.240 293 M CA 0.613 55.691 55.300 -0.370 0.000 1.210 293 M CB -1.242 30.993 32.600 -0.609 0.000 1.281 293 M HN 0.292 nan 8.290 nan 0.000 0.515 294 L N 1.347 122.276 121.223 -0.491 0.000 2.351 294 L HA -0.181 4.159 4.340 -0.000 0.000 0.220 294 L C 2.280 179.066 176.870 -0.140 0.000 1.127 294 L CA 0.803 55.451 54.840 -0.320 0.000 0.786 294 L CB -0.961 40.937 42.059 -0.268 0.000 0.914 294 L HN 0.343 nan 8.230 nan 0.000 0.443 295 I N -2.760 117.728 120.570 -0.136 0.000 2.700 295 I HA 0.077 4.246 4.170 -0.000 0.000 0.261 295 I C 1.063 177.154 176.117 -0.043 0.000 1.219 295 I CA 0.788 62.038 61.300 -0.085 0.000 1.463 295 I CB -0.516 37.425 38.000 -0.098 0.000 1.092 295 I HN 0.127 nan 8.210 nan 0.000 0.452 296 G N 0.056 108.851 108.800 -0.009 0.000 2.561 296 G HA2 0.238 4.198 3.960 -0.000 0.000 0.310 296 G HA3 0.238 4.198 3.960 -0.000 0.000 0.310 296 G C -1.844 173.122 174.900 0.110 0.000 1.292 296 G CA -0.629 44.486 45.100 0.025 0.000 0.811 296 G HN 0.038 nan 8.290 nan 0.000 0.482 297 D N 1.346 121.758 120.400 0.021 0.000 2.488 297 D HA 0.422 5.062 4.640 -0.000 0.000 0.238 297 D C 0.476 176.730 176.300 -0.077 0.000 1.138 297 D CA 0.846 54.803 54.000 -0.072 0.000 0.873 297 D CB 0.355 41.074 40.800 -0.135 0.000 1.183 297 D HN 0.554 nan 8.370 nan 0.000 0.458 298 H N -0.742 118.192 119.070 -0.227 0.000 2.933 298 H HA 0.474 5.030 4.556 0.000 0.000 0.310 298 H C -1.344 173.859 175.328 -0.208 0.000 1.351 298 H CA -0.807 55.108 56.048 -0.221 0.000 1.137 298 H CB 0.355 30.126 29.762 0.015 0.000 1.853 298 H HN 0.312 nan 8.280 nan 0.000 0.539 299 Y N -0.213 120.306 120.300 0.365 0.000 2.581 299 Y HA 0.427 4.977 4.550 -0.000 0.000 0.345 299 Y C -0.559 175.593 175.900 0.420 0.000 1.036 299 Y CA -1.154 57.158 58.100 0.353 0.000 1.042 299 Y CB 1.933 40.455 38.460 0.104 0.000 1.289 299 Y HN 0.494 nan 8.280 nan 0.000 0.471 300 L N 2.679 124.222 121.223 0.534 0.000 2.257 300 L HA 0.451 4.791 4.340 -0.000 0.000 0.290 300 L C 0.331 177.240 176.870 0.065 0.000 1.044 300 L CA -0.342 54.478 54.840 -0.032 0.000 0.810 300 L CB 0.511 42.491 42.059 -0.132 0.000 1.193 300 L HN 0.973 nan 8.230 nan 0.000 0.425 301 C N 1.295 120.496 119.300 -0.164 0.000 3.228 301 C HA 0.530 4.990 4.460 -0.000 0.000 0.290 301 C C 0.206 175.015 174.990 -0.302 0.000 1.301 301 C CA -0.369 58.477 59.018 -0.287 0.000 1.703 301 C CB -0.726 26.911 27.740 -0.171 0.000 2.141 301 C HN 0.855 nan 8.230 nan 0.000 0.656 302 D N -0.077 120.181 120.400 -0.236 0.000 2.706 302 D HA 0.367 5.007 4.640 -0.000 0.000 0.227 302 D C -1.865 174.174 176.300 -0.435 0.000 1.233 302 D CA 0.102 53.990 54.000 -0.186 0.000 0.768 302 D CB 2.508 43.197 40.800 -0.185 0.000 1.490 302 D HN 0.349 nan 8.370 nan 0.000 0.458 303 V N 1.547 121.146 119.914 -0.525 0.000 2.655 303 V HA 0.725 4.845 4.120 -0.000 0.000 0.301 303 V C -1.714 174.019 176.094 -0.602 0.000 1.082 303 V CA 0.035 61.830 62.300 -0.842 0.000 0.899 303 V CB 1.781 32.724 31.823 -1.467 0.000 1.014 303 V HN 0.599 nan 8.190 nan 0.000 0.429 304 T N 6.519 120.807 114.554 -0.442 0.000 2.949 304 T HA 0.423 4.773 4.350 -0.000 0.000 0.300 304 T C -0.993 173.577 174.700 -0.217 0.000 0.988 304 T CA -0.160 61.830 62.100 -0.184 0.000 0.993 304 T CB 0.906 69.741 68.868 -0.055 0.000 0.984 304 T HN 0.757 nan 8.240 nan 0.000 0.442 305 W N 2.158 123.396 121.300 -0.104 0.000 2.216 305 W HA 0.465 5.125 4.660 -0.000 0.000 0.326 305 W C 1.161 177.533 176.519 -0.244 0.000 1.319 305 W CA -0.277 56.993 57.345 -0.126 0.000 1.213 305 W CB 0.519 29.993 29.460 0.023 0.000 1.171 305 W HN 0.848 nan 8.180 nan 0.000 0.557 306 A N 2.066 124.732 122.820 -0.257 0.000 1.920 306 A HA 0.199 4.519 4.320 -0.000 0.000 0.209 306 A C 0.935 178.463 177.584 -0.093 0.000 1.229 306 A CA 1.569 53.224 52.037 -0.637 0.000 0.671 306 A CB -0.363 17.856 19.000 -1.303 0.000 0.886 306 A HN 0.543 nan 8.150 nan 0.000 0.461 307 T N -5.673 108.937 114.554 0.092 0.000 2.618 307 T HA 0.332 4.682 4.350 -0.000 0.000 0.293 307 T C 0.144 175.025 174.700 0.302 0.000 1.093 307 T CA -0.348 61.860 62.100 0.180 0.000 1.061 307 T CB 0.555 69.512 68.868 0.148 0.000 1.498 307 T HN -0.056 nan 8.240 nan 0.000 0.494 308 Q N 0.330 120.279 119.800 0.248 0.000 2.291 308 Q HA 0.089 4.429 4.340 -0.000 0.000 0.205 308 Q C 0.733 177.009 176.000 0.460 0.000 0.970 308 Q CA 1.342 57.309 55.803 0.273 0.000 0.876 308 Q CB -0.078 28.777 28.738 0.195 0.000 0.935 308 Q HN 0.807 nan 8.270 nan 0.000 0.455 309 E N -0.168 120.286 120.200 0.425 0.000 2.876 309 E HA 0.205 4.555 4.350 -0.000 0.000 0.208 309 E C -0.315 176.549 176.600 0.440 0.000 0.981 309 E CA -0.150 56.510 56.400 0.432 0.000 1.174 309 E CB 1.073 30.938 29.700 0.275 0.000 1.047 309 E HN -0.055 nan 8.360 nan 0.000 0.477 310 R N 1.648 122.412 120.500 0.440 0.000 2.533 310 R HA 0.511 4.851 4.340 -0.000 0.000 0.288 310 R C -1.779 174.505 176.300 -0.026 0.000 1.039 310 R CA -0.472 55.755 56.100 0.212 0.000 0.909 310 R CB 1.384 31.713 30.300 0.048 0.000 1.195 310 R HN 0.120 nan 8.270 nan 0.000 0.438 311 I N 3.099 123.487 120.570 -0.303 0.000 2.545 311 I HA 0.396 4.566 4.170 -0.000 0.000 0.292 311 I C -0.821 174.968 176.117 -0.548 0.000 1.040 311 I CA -0.483 60.368 61.300 -0.747 0.000 1.068 311 I CB 2.224 39.342 38.000 -1.471 0.000 1.251 311 I HN 0.801 nan 8.210 nan 0.000 0.424 312 S N 7.396 122.775 115.700 -0.535 0.000 2.475 312 S HA 0.765 5.235 4.470 -0.000 0.000 0.298 312 S C -1.002 173.303 174.600 -0.491 0.000 1.119 312 S CA -0.708 57.268 58.200 -0.373 0.000 1.085 312 S CB 1.796 64.896 63.200 -0.167 0.000 1.028 312 S HN 0.442 nan 8.310 nan 0.000 0.489 313 L N 2.118 123.073 121.223 -0.447 0.000 2.386 313 L HA 0.531 4.871 4.340 -0.000 0.000 0.271 313 L C -0.335 176.269 176.870 -0.443 0.000 0.993 313 L CA -0.175 54.297 54.840 -0.613 0.000 0.819 313 L CB 2.045 43.668 42.059 -0.726 0.000 1.294 313 L HN 0.824 nan 8.230 nan 0.000 0.414 314 Q N 2.113 121.597 119.800 -0.528 0.000 2.331 314 Q HA 0.441 4.781 4.340 -0.000 0.000 0.267 314 Q C -1.651 174.123 176.000 -0.376 0.000 1.006 314 Q CA -0.481 55.137 55.803 -0.308 0.000 0.818 314 Q CB 1.964 30.566 28.738 -0.227 0.000 1.276 314 Q HN 0.488 nan 8.270 nan 0.000 0.450 315 W N 2.557 123.817 121.300 -0.067 0.000 2.639 315 W HA 0.631 5.291 4.660 -0.000 0.000 0.347 315 W C -0.801 175.755 176.519 0.062 0.000 1.067 315 W CA -0.666 56.690 57.345 0.019 0.000 1.218 315 W CB 1.019 30.477 29.460 -0.005 0.000 1.393 315 W HN 0.383 nan 8.180 nan 0.000 0.557 316 L N 2.434 123.889 121.223 0.386 0.000 2.436 316 L HA 0.561 4.901 4.340 -0.000 0.000 0.268 316 L C -0.186 176.872 176.870 0.313 0.000 0.974 316 L CA -1.161 53.863 54.840 0.307 0.000 0.826 316 L CB 1.322 43.540 42.059 0.264 0.000 1.291 316 L HN 0.422 nan 8.230 nan 0.000 0.406 317 R N 2.450 123.094 120.500 0.241 0.000 2.738 317 R HA 0.227 4.567 4.340 -0.000 0.000 0.268 317 R C 0.994 177.330 176.300 0.060 0.000 1.062 317 R CA -0.115 56.067 56.100 0.138 0.000 1.158 317 R CB 0.506 30.874 30.300 0.113 0.000 1.046 317 R HN 0.654 nan 8.270 nan 0.000 0.493 318 R N 1.171 121.617 120.500 -0.091 0.000 2.127 318 R HA -0.065 4.275 4.340 -0.000 0.000 0.238 318 R C 0.352 176.682 176.300 0.049 0.000 1.134 318 R CA 1.104 57.126 56.100 -0.131 0.000 0.975 318 R CB 0.206 30.404 30.300 -0.170 0.000 0.865 318 R HN 0.387 nan 8.270 nan 0.000 0.447 319 I N 2.902 123.497 120.570 0.042 0.000 2.256 319 I HA 0.021 4.191 4.170 -0.000 0.000 0.294 319 I C 0.157 176.328 176.117 0.089 0.000 1.127 319 I CA 0.266 61.597 61.300 0.053 0.000 1.247 319 I CB 0.824 38.844 38.000 0.034 0.000 1.460 319 I HN 0.261 nan 8.210 nan 0.000 0.511 320 Q N 3.277 123.134 119.800 0.095 0.000 2.285 320 Q HA -0.087 4.253 4.340 -0.000 0.000 0.191 320 Q C 0.927 177.003 176.000 0.127 0.000 0.860 320 Q CA 0.123 55.997 55.803 0.118 0.000 1.015 320 Q CB -0.156 28.617 28.738 0.058 0.000 1.118 320 Q HN 0.458 nan 8.270 nan 0.000 0.455 321 N N -0.472 118.304 118.700 0.127 0.000 2.405 321 N HA -0.022 4.718 4.740 -0.000 0.000 0.175 321 N C -1.004 174.615 175.510 0.181 0.000 1.051 321 N CA 0.481 53.603 53.050 0.120 0.000 0.899 321 N CB 0.519 39.065 38.487 0.100 0.000 1.000 321 N HN 0.294 nan 8.380 nan 0.000 0.451 322 Y N 0.345 120.669 120.300 0.040 0.000 2.421 322 Y HA 0.451 5.001 4.550 -0.000 0.000 0.339 322 Y C -0.895 175.040 175.900 0.059 0.000 0.996 322 Y CA -1.166 56.958 58.100 0.039 0.000 1.046 322 Y CB 1.227 39.701 38.460 0.023 0.000 1.226 322 Y HN -0.080 nan 8.280 nan 0.000 0.445 323 S N 4.188 119.807 115.700 -0.135 0.000 2.570 323 S HA 0.927 5.397 4.470 -0.000 0.000 0.286 323 S C -1.898 172.592 174.600 -0.184 0.000 1.099 323 S CA -0.748 57.428 58.200 -0.039 0.000 0.913 323 S CB 1.921 65.117 63.200 -0.006 0.000 1.085 323 S HN 0.496 nan 8.310 nan 0.000 0.480 324 V N 2.710 122.624 119.914 0.001 0.000 2.709 324 V HA 0.548 4.668 4.120 -0.000 0.000 0.308 324 V C -0.616 175.520 176.094 0.071 0.000 1.062 324 V CA -0.664 61.639 62.300 0.004 0.000 0.901 324 V CB 1.933 33.796 31.823 0.065 0.000 1.003 324 V HN 1.036 nan 8.190 nan 0.000 0.425 325 M N 3.784 123.398 119.600 0.024 0.000 2.149 325 M HA 0.530 5.010 4.480 -0.000 0.000 0.342 325 M C -1.417 174.906 176.300 0.039 0.000 1.068 325 M CA -0.301 54.996 55.300 -0.006 0.000 0.991 325 M CB 1.158 33.702 32.600 -0.093 0.000 1.596 325 M HN 0.612 nan 8.290 nan 0.000 0.439 326 D N 5.312 125.730 120.400 0.031 0.000 2.163 326 D HA 0.510 5.150 4.640 -0.000 0.000 0.248 326 D C -0.892 175.391 176.300 -0.027 0.000 1.035 326 D CA -0.064 53.951 54.000 0.025 0.000 0.872 326 D CB 1.923 42.756 40.800 0.056 0.000 1.183 326 D HN 0.636 nan 8.370 nan 0.000 0.445 327 I N 2.595 123.171 120.570 0.011 0.000 2.390 327 I HA 0.243 4.413 4.170 -0.000 0.000 0.283 327 I C -0.520 175.604 176.117 0.010 0.000 1.016 327 I CA -0.592 60.710 61.300 0.003 0.000 1.151 327 I CB 1.150 39.212 38.000 0.103 0.000 1.293 327 I HN 0.155 nan 8.210 nan 0.000 0.458 328 c N 3.995 122.587 118.600 -0.015 0.000 2.329 328 c HA 0.523 5.093 4.570 -0.000 0.000 0.329 328 c C -0.117 174.104 174.090 0.219 0.000 1.275 328 c CA -0.738 55.645 56.329 0.090 0.000 1.726 328 c CB 0.799 43.364 42.510 0.091 0.000 2.291 328 c HN 0.571 nan 8.230 nan 0.000 0.514 329 D N 0.305 120.822 120.400 0.196 0.000 2.198 329 D HA 0.305 4.945 4.640 -0.000 0.000 0.247 329 D C -0.614 175.653 176.300 -0.055 0.000 1.010 329 D CA -0.235 53.847 54.000 0.137 0.000 0.880 329 D CB 0.844 41.670 40.800 0.044 0.000 1.209 329 D HN 0.584 nan 8.370 nan 0.000 0.451 330 Y N 1.462 121.413 120.300 -0.581 0.000 2.377 330 Y HA 0.139 4.689 4.550 -0.000 0.000 0.330 330 Y C 0.057 175.642 175.900 -0.526 0.000 1.108 330 Y CA -0.186 57.198 58.100 -1.193 0.000 1.308 330 Y CB 0.685 38.283 38.460 -1.436 0.000 1.216 330 Y HN 0.173 nan 8.280 nan 0.000 0.518 331 D N 5.644 125.394 120.400 -1.082 0.000 2.468 331 D HA 0.025 4.665 4.640 -0.000 0.000 0.218 331 D C 0.965 176.675 176.300 -0.983 0.000 1.155 331 D CA 0.063 53.620 54.000 -0.738 0.000 0.924 331 D CB 0.642 41.174 40.800 -0.447 0.000 1.029 331 D HN 0.899 nan 8.370 nan 0.000 0.515 332 E N 1.618 121.401 120.200 -0.696 0.000 2.169 332 E HA -0.198 4.152 4.350 -0.000 0.000 0.202 332 E C 0.198 176.661 176.600 -0.228 0.000 1.016 332 E CA 1.316 57.501 56.400 -0.359 0.000 0.817 332 E CB 0.208 29.861 29.700 -0.077 0.000 0.736 332 E HN 0.146 nan 8.360 nan 0.000 0.462 333 S N -1.024 114.548 115.700 -0.214 0.000 2.383 333 S HA 0.324 4.794 4.470 -0.000 0.000 0.227 333 S C -0.303 174.221 174.600 -0.128 0.000 1.261 333 S CA -0.155 57.973 58.200 -0.120 0.000 1.262 333 S CB 1.086 64.243 63.200 -0.073 0.000 0.992 333 S HN 0.105 nan 8.310 nan 0.000 0.491 334 S N -0.387 115.209 115.700 -0.174 0.000 2.227 334 S HA 0.302 4.772 4.470 -0.000 0.000 0.267 334 S C 1.391 175.926 174.600 -0.108 0.000 0.987 334 S CA 0.065 58.187 58.200 -0.129 0.000 1.448 334 S CB 0.374 63.482 63.200 -0.154 0.000 1.118 334 S HN 0.715 nan 8.310 nan 0.000 0.555 335 G N 2.290 110.979 108.800 -0.186 0.000 2.328 335 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.256 335 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.256 335 G C 0.140 175.061 174.900 0.034 0.000 1.014 335 G CA 0.834 45.935 45.100 0.001 0.000 0.620 335 G HN 0.590 nan 8.290 nan 0.000 0.530 336 R N -0.773 119.678 120.500 -0.082 0.000 2.531 336 R HA 0.692 5.032 4.340 -0.000 0.000 0.260 336 R C -0.628 175.583 176.300 -0.148 0.000 1.144 336 R CA -0.643 55.475 56.100 0.030 0.000 1.171 336 R CB 0.199 30.536 30.300 0.062 0.000 1.199 336 R HN 0.262 nan 8.270 nan 0.000 0.594 337 W N -0.271 121.047 121.300 0.029 0.000 2.529 337 W HA 0.458 5.118 4.660 -0.000 0.000 0.321 337 W C -0.809 175.694 176.519 -0.026 0.000 1.047 337 W CA -0.471 56.879 57.345 0.008 0.000 1.216 337 W CB 1.275 30.740 29.460 0.009 0.000 1.357 337 W HN 0.487 nan 8.180 nan 0.000 0.489 338 N N 1.885 120.664 118.700 0.132 0.000 2.314 338 N HA 0.550 5.290 4.740 -0.000 0.000 0.294 338 N C -1.606 173.945 175.510 0.068 0.000 1.029 338 N CA -0.613 52.476 53.050 0.065 0.000 0.845 338 N CB 1.260 39.746 38.487 -0.001 0.000 1.321 338 N HN 0.179 nan 8.380 nan 0.000 0.481 339 c N 2.580 121.205 118.600 0.042 0.000 2.258 339 c HA 0.396 4.966 4.570 -0.000 0.000 0.321 339 c C 0.377 174.469 174.090 0.003 0.000 1.168 339 c CA -1.166 55.178 56.329 0.025 0.000 1.531 339 c CB -1.244 41.272 42.510 0.011 0.000 2.095 339 c HN 0.607 nan 8.230 nan 0.000 0.449 340 L N 3.124 124.351 121.223 0.006 0.000 2.513 340 L HA 0.155 4.495 4.340 -0.000 0.000 0.272 340 L C 0.815 177.673 176.870 -0.020 0.000 1.187 340 L CA 0.317 55.153 54.840 -0.007 0.000 0.895 340 L CB 0.216 42.275 42.059 0.000 0.000 1.147 340 L HN 0.547 nan 8.230 nan 0.000 0.483 341 V N 5.094 124.989 119.914 -0.031 0.000 3.376 341 V HA 0.263 4.383 4.120 -0.000 0.000 0.303 341 V C 1.276 177.341 176.094 -0.048 0.000 1.100 341 V CA 0.832 63.106 62.300 -0.043 0.000 1.126 341 V CB 1.152 32.950 31.823 -0.043 0.000 1.085 341 V HN 1.112 nan 8.190 nan 0.000 0.480 342 A N 2.958 125.736 122.820 -0.069 0.000 3.930 342 A HA -0.304 4.016 4.320 -0.000 0.000 0.267 342 A C 1.749 179.266 177.584 -0.112 0.000 0.971 342 A CA 2.022 54.009 52.037 -0.083 0.000 1.197 342 A CB -1.809 17.159 19.000 -0.053 0.000 1.073 342 A HN 1.113 nan 8.150 nan 0.000 0.871 343 R N 0.371 120.819 120.500 -0.087 0.000 2.397 343 R HA 0.174 4.514 4.340 -0.000 0.000 0.241 343 R C 0.701 176.950 176.300 -0.086 0.000 0.914 343 R CA 0.762 56.831 56.100 -0.051 0.000 1.071 343 R CB 0.072 30.388 30.300 0.026 0.000 1.116 343 R HN 0.840 nan 8.270 nan 0.000 0.524 344 Q N -0.064 119.651 119.800 -0.141 0.000 2.230 344 Q HA 0.245 4.585 4.340 -0.000 0.000 0.248 344 Q C -1.274 174.568 176.000 -0.263 0.000 0.915 344 Q CA -0.628 55.122 55.803 -0.088 0.000 0.900 344 Q CB 1.370 30.084 28.738 -0.041 0.000 1.229 344 Q HN 0.181 nan 8.270 nan 0.000 0.439 345 H N 0.955 120.025 119.070 0.000 0.000 2.495 345 H HA 0.485 5.041 4.556 -0.000 0.000 0.348 345 H C -0.796 174.498 175.328 -0.056 0.000 1.113 345 H CA -0.619 55.432 56.048 0.006 0.000 1.195 345 H CB 1.429 31.208 29.762 0.029 0.000 1.521 345 H HN 0.539 nan 8.280 nan 0.000 0.509 346 I N 2.027 122.605 120.570 0.014 0.000 2.353 346 I HA 0.214 4.384 4.170 -0.000 0.000 0.293 346 I C 0.002 176.045 176.117 -0.123 0.000 0.992 346 I CA -0.216 60.992 61.300 -0.154 0.000 1.268 346 I CB 1.243 39.116 38.000 -0.210 0.000 1.387 346 I HN 0.580 nan 8.210 nan 0.000 0.478 347 E N 8.522 128.597 120.200 -0.209 0.000 2.255 347 E HA 0.544 4.894 4.350 -0.000 0.000 0.256 347 E C -1.164 175.334 176.600 -0.169 0.000 0.887 347 E CA -0.658 55.674 56.400 -0.113 0.000 0.782 347 E CB 1.326 30.995 29.700 -0.052 0.000 1.214 347 E HN 0.630 nan 8.360 nan 0.000 0.417 348 M N 1.266 120.805 119.600 -0.103 0.000 2.704 348 M HA 0.681 5.160 4.480 -0.000 0.000 0.284 348 M C -1.089 175.211 176.300 -0.001 0.000 1.275 348 M CA -0.950 54.325 55.300 -0.042 0.000 0.811 348 M CB 2.299 34.910 32.600 0.018 0.000 1.741 348 M HN 0.244 nan 8.290 nan 0.000 0.458 349 S N -0.701 115.007 115.700 0.013 0.000 2.540 349 S HA 0.570 5.040 4.470 -0.000 0.000 0.275 349 S C 0.093 174.687 174.600 -0.010 0.000 1.123 349 S CA 0.068 58.260 58.200 -0.014 0.000 0.907 349 S CB 1.898 65.057 63.200 -0.068 0.000 1.081 349 S HN 0.938 nan 8.310 nan 0.000 0.476 350 T N -0.306 114.242 114.554 -0.010 0.000 3.015 350 T HA 0.069 4.419 4.350 -0.000 0.000 0.250 350 T C 1.603 176.288 174.700 -0.025 0.000 1.057 350 T CA 0.956 63.053 62.100 -0.006 0.000 1.066 350 T CB -0.480 68.392 68.868 0.006 0.000 0.959 350 T HN 0.690 nan 8.240 nan 0.000 0.488 351 T N -1.564 112.970 114.554 -0.033 0.000 3.051 351 T HA 0.568 4.918 4.350 -0.000 0.000 0.255 351 T C 1.210 175.775 174.700 -0.225 0.000 1.085 351 T CA 0.495 62.580 62.100 -0.024 0.000 1.109 351 T CB 0.140 69.073 68.868 0.108 0.000 0.921 351 T HN 0.638 nan 8.240 nan 0.000 0.488 352 G N 0.244 108.745 108.800 -0.499 0.000 2.696 352 G HA2 0.473 4.433 3.960 -0.000 0.000 0.151 352 G HA3 0.473 4.433 3.960 -0.000 0.000 0.151 352 G C -1.558 173.085 174.900 -0.427 0.000 1.197 352 G CA -0.560 44.056 45.100 -0.806 0.000 1.053 352 G HN 0.504 nan 8.290 nan 0.000 0.546 353 W N -0.117 120.909 121.300 -0.456 0.000 2.225 353 W HA 0.756 5.416 4.660 0.000 0.000 0.377 353 W C -0.435 176.023 176.519 -0.101 0.000 1.418 353 W CA -1.249 55.964 57.345 -0.220 0.000 1.562 353 W CB 0.601 29.913 29.460 -0.248 0.000 1.297 353 W HN 0.268 nan 8.180 nan 0.000 0.686 354 V N 2.797 122.785 119.914 0.124 0.000 2.394 354 V HA 0.723 4.843 4.120 -0.000 0.000 0.282 354 V C 0.693 176.860 176.094 0.121 0.000 1.031 354 V CA 0.225 62.551 62.300 0.044 0.000 0.881 354 V CB 0.014 31.867 31.823 0.049 0.000 0.982 354 V HN 1.295 nan 8.190 nan 0.000 0.451 355 G N 5.065 113.886 108.800 0.036 0.000 2.746 355 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.685 355 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.685 355 G C 0.295 175.279 174.900 0.140 0.000 1.350 355 G CA 0.091 45.243 45.100 0.086 0.000 0.837 355 G HN 0.641 nan 8.290 nan 0.000 0.564 356 R N -0.636 119.936 120.500 0.121 0.000 2.066 356 R HA 0.104 4.444 4.340 -0.000 0.000 0.232 356 R C 1.917 178.196 176.300 -0.034 0.000 1.131 356 R CA 2.162 58.286 56.100 0.040 0.000 0.955 356 R CB -0.089 30.222 30.300 0.019 0.000 0.851 356 R HN 0.475 nan 8.270 nan 0.000 0.432 357 F N -0.994 119.108 119.950 0.253 0.000 2.834 357 F HA 0.264 4.791 4.527 -0.000 0.000 0.332 357 F C 0.369 176.202 175.800 0.054 0.000 1.056 357 F CA -0.390 57.697 58.000 0.145 0.000 1.178 357 F CB 0.785 39.859 39.000 0.123 0.000 1.037 357 F HN -0.109 nan 8.300 nan 0.000 0.580 358 R N -1.070 119.568 120.500 0.230 0.000 2.753 358 R HA 0.358 4.698 4.340 -0.000 0.000 0.272 358 R C -3.399 172.958 176.300 0.093 0.000 1.034 358 R CA -1.755 54.407 56.100 0.103 0.000 0.869 358 R CB 0.218 30.523 30.300 0.008 0.000 1.264 358 R HN -0.338 nan 8.270 nan 0.000 0.481 359 P HA -0.040 nan 4.420 nan 0.000 0.265 359 P C -0.175 177.140 177.300 0.025 0.000 1.187 359 P CA 0.241 63.356 63.100 0.025 0.000 0.766 359 P CB 0.669 32.360 31.700 -0.015 0.000 0.820 360 S N 1.673 117.399 115.700 0.043 0.000 2.584 360 S HA 0.112 4.582 4.470 -0.000 0.000 0.270 360 S C 0.105 174.716 174.600 0.018 0.000 1.346 360 S CA -0.674 57.566 58.200 0.067 0.000 1.018 360 S CB 0.299 63.560 63.200 0.103 0.000 0.899 360 S HN 0.574 nan 8.310 nan 0.000 0.542 361 E N 1.432 121.660 120.200 0.046 0.000 2.301 361 E HA 0.469 4.819 4.350 -0.000 0.000 0.275 361 E C -2.602 173.968 176.600 -0.049 0.000 1.030 361 E CA -2.220 54.160 56.400 -0.033 0.000 0.852 361 E CB 0.581 30.269 29.700 -0.021 0.000 1.060 361 E HN 0.457 nan 8.360 nan 0.000 0.401 362 P HA 0.129 nan 4.420 nan 0.000 0.279 362 P C -0.974 176.193 177.300 -0.222 0.000 1.252 362 P CA -0.337 62.600 63.100 -0.272 0.000 0.811 362 P CB 0.790 31.970 31.700 -0.865 0.000 1.035 363 H N 1.703 120.783 119.070 0.016 0.000 2.866 363 H HA 0.281 4.837 4.556 -0.000 0.000 0.287 363 H C -0.292 175.176 175.328 0.233 0.000 1.106 363 H CA -0.347 55.809 56.048 0.180 0.000 1.396 363 H CB 0.116 30.003 29.762 0.209 0.000 1.469 363 H HN 0.295 nan 8.280 nan 0.000 0.500 364 F N 1.913 122.040 119.950 0.296 0.000 2.418 364 F HA 0.038 4.565 4.527 -0.000 0.000 0.341 364 F C 1.677 177.674 175.800 0.328 0.000 1.120 364 F CA -0.342 57.851 58.000 0.321 0.000 1.232 364 F CB 0.829 39.947 39.000 0.197 0.000 1.175 364 F HN 0.337 nan 8.300 nan 0.000 0.569 365 T N 0.664 115.528 114.554 0.517 0.000 2.813 365 T HA 0.101 4.451 4.350 -0.000 0.000 0.297 365 T C 1.138 176.038 174.700 0.333 0.000 1.036 365 T CA -0.824 61.518 62.100 0.404 0.000 1.044 365 T CB 0.740 69.833 68.868 0.374 0.000 0.993 365 T HN 0.605 nan 8.240 nan 0.000 0.535 366 L N 1.270 122.644 121.223 0.250 0.000 2.089 366 L HA -0.146 4.194 4.340 -0.000 0.000 0.213 366 L C 1.965 178.949 176.870 0.190 0.000 1.079 366 L CA 2.507 57.467 54.840 0.200 0.000 0.758 366 L CB -1.071 41.080 42.059 0.155 0.000 0.891 366 L HN 0.943 nan 8.230 nan 0.000 0.433 367 D N -1.531 118.986 120.400 0.194 0.000 2.355 367 D HA 0.095 4.735 4.640 -0.000 0.000 0.218 367 D C 1.643 178.057 176.300 0.191 0.000 1.004 367 D CA 0.712 54.815 54.000 0.171 0.000 0.880 367 D CB -0.572 40.318 40.800 0.150 0.000 0.911 367 D HN 0.434 nan 8.370 nan 0.000 0.528 368 G N 0.555 109.511 108.800 0.260 0.000 2.168 368 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.257 368 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.257 368 G C 0.654 175.757 174.900 0.338 0.000 0.997 368 G CA 0.492 45.771 45.100 0.298 0.000 0.708 368 G HN 0.520 nan 8.290 nan 0.000 0.520 369 N N -0.301 118.572 118.700 0.287 0.000 2.299 369 N HA 0.317 5.057 4.740 -0.000 0.000 0.187 369 N C 0.686 176.314 175.510 0.196 0.000 1.099 369 N CA 0.535 53.718 53.050 0.221 0.000 0.867 369 N CB 0.342 38.918 38.487 0.149 0.000 0.974 369 N HN 0.653 nan 8.380 nan 0.000 0.477 370 S N -0.173 115.677 115.700 0.251 0.000 2.615 370 S HA 0.684 5.154 4.470 -0.000 0.000 0.269 370 S C -1.302 173.369 174.600 0.118 0.000 1.161 370 S CA -1.069 57.143 58.200 0.021 0.000 0.817 370 S CB 1.431 64.552 63.200 -0.132 0.000 1.131 370 S HN 0.169 nan 8.310 nan 0.000 0.467 371 F N -1.901 117.875 119.950 -0.289 0.000 2.713 371 F HA 0.841 5.368 4.527 0.000 0.000 0.311 371 F C -2.364 173.278 175.800 -0.264 0.000 1.141 371 F CA -1.512 56.287 58.000 -0.335 0.000 0.939 371 F CB 0.561 38.954 39.000 -1.011 0.000 1.325 371 F HN 0.609 nan 8.300 nan 0.000 0.453 372 Y N 1.032 121.489 120.300 0.260 0.000 2.446 372 Y HA 0.705 5.255 4.550 -0.000 0.000 0.345 372 Y C -0.663 175.402 175.900 0.275 0.000 0.984 372 Y CA -1.042 57.197 58.100 0.231 0.000 1.058 372 Y CB 2.235 40.782 38.460 0.146 0.000 1.220 372 Y HN 0.724 nan 8.280 nan 0.000 0.455 373 K N 1.200 121.826 120.400 0.377 0.000 2.557 373 K HA 0.603 4.923 4.320 -0.000 0.000 0.261 373 K C -1.857 174.879 176.600 0.226 0.000 0.932 373 K CA -0.651 55.801 56.287 0.276 0.000 0.829 373 K CB 1.382 33.976 32.500 0.157 0.000 1.358 373 K HN 0.593 nan 8.250 nan 0.000 0.430 374 I N 4.543 125.218 120.570 0.175 0.000 2.517 374 I HA 0.251 4.421 4.170 -0.000 0.000 0.285 374 I C 0.231 176.433 176.117 0.142 0.000 1.106 374 I CA -0.275 61.109 61.300 0.141 0.000 1.402 374 I CB -0.019 38.042 38.000 0.103 0.000 1.399 374 I HN 0.648 nan 8.210 nan 0.000 0.535 375 I N 1.944 122.626 120.570 0.187 0.000 2.969 375 I HA 0.486 4.656 4.170 -0.000 0.000 0.307 375 I C -0.258 175.973 176.117 0.190 0.000 1.149 375 I CA -0.814 60.591 61.300 0.175 0.000 1.008 375 I CB 2.122 40.242 38.000 0.201 0.000 1.232 375 I HN 0.354 nan 8.210 nan 0.000 0.435 376 S N 2.635 118.388 115.700 0.089 0.000 2.549 376 S HA 0.218 4.688 4.470 -0.000 0.000 0.279 376 S C 0.223 174.855 174.600 0.054 0.000 1.321 376 S CA -0.243 57.955 58.200 -0.003 0.000 1.054 376 S CB -0.133 63.009 63.200 -0.096 0.000 0.899 376 S HN 0.684 nan 8.310 nan 0.000 0.497 377 N N 2.048 120.685 118.700 -0.105 0.000 2.255 377 N HA 0.044 4.784 4.740 -0.000 0.000 0.253 377 N C 1.019 176.460 175.510 -0.114 0.000 1.313 377 N CA -0.090 52.798 53.050 -0.270 0.000 0.912 377 N CB 0.233 38.532 38.487 -0.314 0.000 1.145 377 N HN 0.783 nan 8.380 nan 0.000 0.511 378 E N 0.282 120.407 120.200 -0.125 0.000 2.371 378 E HA -0.034 4.316 4.350 -0.000 0.000 0.194 378 E C 0.879 177.438 176.600 -0.067 0.000 1.012 378 E CA 0.995 57.361 56.400 -0.057 0.000 0.860 378 E CB 0.061 29.737 29.700 -0.041 0.000 0.811 378 E HN 0.564 nan 8.360 nan 0.000 0.502 379 E N -1.295 118.860 120.200 -0.075 0.000 2.474 379 E HA 0.082 4.432 4.350 -0.000 0.000 0.194 379 E C 0.523 177.098 176.600 -0.042 0.000 1.041 379 E CA 0.481 56.877 56.400 -0.006 0.000 0.874 379 E CB 0.138 29.875 29.700 0.062 0.000 0.914 379 E HN 0.367 nan 8.360 nan 0.000 0.498 380 G N 0.494 109.212 108.800 -0.135 0.000 2.157 380 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.239 380 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.239 380 G C -0.402 174.216 174.900 -0.470 0.000 0.982 380 G CA 0.093 45.007 45.100 -0.309 0.000 0.650 380 G HN 0.207 nan 8.290 nan 0.000 0.527 381 Y N 0.712 120.873 120.300 -0.232 0.000 2.330 381 Y HA 0.629 5.179 4.550 -0.000 0.000 0.336 381 Y C 1.197 176.912 175.900 -0.308 0.000 1.036 381 Y CA -0.825 57.113 58.100 -0.269 0.000 1.125 381 Y CB 0.964 39.278 38.460 -0.245 0.000 1.194 381 Y HN 0.078 nan 8.280 nan 0.000 0.469 382 R N 3.904 124.249 120.500 -0.259 0.000 2.296 382 R HA 0.264 4.604 4.340 -0.000 0.000 0.323 382 R C -0.714 175.290 176.300 -0.492 0.000 1.067 382 R CA -0.063 55.894 56.100 -0.238 0.000 0.946 382 R CB 0.135 30.346 30.300 -0.148 0.000 0.991 382 R HN 0.664 nan 8.270 nan 0.000 0.448 383 H N 1.646 120.660 119.070 -0.094 0.000 2.949 383 H HA 0.343 4.899 4.556 -0.000 0.000 0.356 383 H C -0.042 175.347 175.328 0.101 0.000 1.212 383 H CA -0.968 55.000 56.048 -0.133 0.000 1.136 383 H CB 1.623 31.177 29.762 -0.347 0.000 1.869 383 H HN 0.316 nan 8.280 nan 0.000 0.556 384 I N 1.337 121.991 120.570 0.140 0.000 2.471 384 I HA 0.031 4.201 4.170 -0.000 0.000 0.286 384 I C 0.424 176.620 176.117 0.132 0.000 1.079 384 I CA 0.184 61.547 61.300 0.105 0.000 1.398 384 I CB 0.292 38.262 38.000 -0.049 0.000 1.403 384 I HN 0.129 nan 8.210 nan 0.000 0.530 385 c N 7.128 125.744 118.600 0.026 0.000 2.411 385 c HA 0.447 5.017 4.570 -0.000 0.000 0.330 385 c C -0.420 173.568 174.090 -0.169 0.000 1.224 385 c CA -0.476 55.650 56.329 -0.337 0.000 1.770 385 c CB 1.125 43.166 42.510 -0.783 0.000 2.297 385 c HN 0.643 nan 8.230 nan 0.000 0.507 386 Y N 4.543 124.519 120.300 -0.539 0.000 2.331 386 Y HA 0.676 5.226 4.550 -0.000 0.000 0.338 386 Y C -1.024 174.420 175.900 -0.759 0.000 0.976 386 Y CA -0.942 56.776 58.100 -0.636 0.000 1.137 386 Y CB 0.221 38.371 38.460 -0.516 0.000 1.172 386 Y HN 0.601 nan 8.280 nan 0.000 0.478 387 F N 3.104 122.288 119.950 -1.277 0.000 2.523 387 F HA 0.529 5.056 4.527 -0.000 0.000 0.329 387 F C -0.271 174.780 175.800 -1.248 0.000 1.061 387 F CA -0.978 56.237 58.000 -1.308 0.000 0.967 387 F CB 1.567 39.454 39.000 -1.855 0.000 1.218 387 F HN 0.265 nan 8.300 nan 0.000 0.480 388 Q N 1.581 121.058 119.800 -0.540 0.000 2.341 388 Q HA 0.371 4.711 4.340 -0.000 0.000 0.268 388 Q C 0.911 176.894 176.000 -0.030 0.000 1.013 388 Q CA -0.281 55.334 55.803 -0.314 0.000 0.798 388 Q CB 1.361 29.962 28.738 -0.229 0.000 1.253 388 Q HN 0.673 nan 8.270 nan 0.000 0.457 389 I N -0.205 120.426 120.570 0.101 0.000 2.479 389 I HA -0.274 3.896 4.170 -0.000 0.000 0.258 389 I C 0.286 176.599 176.117 0.326 0.000 1.165 389 I CA 2.096 63.613 61.300 0.362 0.000 1.422 389 I CB -0.004 38.212 38.000 0.360 0.000 1.087 389 I HN 0.520 nan 8.210 nan 0.000 0.441 390 D N -0.475 120.019 120.400 0.157 0.000 2.398 390 D HA 0.156 4.796 4.640 -0.000 0.000 0.210 390 D C 0.361 176.679 176.300 0.030 0.000 1.094 390 D CA -0.188 53.855 54.000 0.072 0.000 0.839 390 D CB 0.080 40.905 40.800 0.041 0.000 0.963 390 D HN 0.228 nan 8.370 nan 0.000 0.506 391 K N 0.522 120.957 120.400 0.059 0.000 2.185 391 K HA 0.291 4.611 4.320 -0.000 0.000 0.269 391 K C 0.892 177.527 176.600 0.058 0.000 0.987 391 K CA -0.605 55.684 56.287 0.004 0.000 0.865 391 K CB 1.645 34.102 32.500 -0.071 0.000 1.090 391 K HN -0.034 nan 8.250 nan 0.000 0.450 392 K N 0.313 120.706 120.400 -0.012 0.000 2.057 392 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 392 K C -0.173 176.433 176.600 0.010 0.000 1.050 392 K CA 1.126 57.414 56.287 0.003 0.000 0.935 392 K CB 0.103 32.580 32.500 -0.039 0.000 0.715 392 K HN 0.333 nan 8.250 nan 0.000 0.439 393 D N 1.228 121.573 120.400 -0.091 0.000 2.225 393 D HA 0.146 4.786 4.640 -0.000 0.000 0.248 393 D C 0.017 176.083 176.300 -0.390 0.000 1.096 393 D CA -0.554 53.327 54.000 -0.198 0.000 0.863 393 D CB 1.339 42.046 40.800 -0.155 0.000 1.156 393 D HN 0.415 nan 8.370 nan 0.000 0.450 394 c N 0.471 118.661 118.600 -0.683 0.000 2.354 394 c HA 0.815 5.385 4.570 -0.000 0.000 0.381 394 c C 0.293 173.962 174.090 -0.702 0.000 1.240 394 c CA -0.547 55.159 56.329 -1.038 0.000 2.089 394 c CB 1.001 42.176 42.510 -2.224 0.000 2.234 394 c HN 0.471 nan 8.230 nan 0.000 0.544 395 T N 1.679 115.876 114.554 -0.594 0.000 2.809 395 T HA 0.475 4.825 4.350 -0.000 0.000 0.284 395 T C -0.716 173.786 174.700 -0.330 0.000 0.992 395 T CA 0.149 62.052 62.100 -0.327 0.000 0.957 395 T CB 0.301 69.117 68.868 -0.086 0.000 0.942 395 T HN 0.474 nan 8.240 nan 0.000 0.439 396 F N 3.339 123.172 119.950 -0.196 0.000 2.529 396 F HA 0.246 4.773 4.527 -0.000 0.000 0.365 396 F C 1.652 177.294 175.800 -0.264 0.000 1.102 396 F CA -0.788 57.088 58.000 -0.208 0.000 1.271 396 F CB 0.426 39.306 39.000 -0.200 0.000 1.120 396 F HN 0.568 nan 8.300 nan 0.000 0.579 397 I N -0.852 119.624 120.570 -0.157 0.000 4.018 397 I HA 0.262 4.432 4.170 -0.000 0.000 0.337 397 I C 0.094 176.059 176.117 -0.253 0.000 1.327 397 I CA 0.038 61.054 61.300 -0.474 0.000 1.100 397 I CB 0.053 37.491 38.000 -0.938 0.000 1.025 397 I HN 0.491 nan 8.210 nan 0.000 0.396 398 T N -0.017 114.429 114.554 -0.180 0.000 2.896 398 T HA 0.715 5.065 4.350 -0.000 0.000 0.297 398 T C -0.741 173.549 174.700 -0.682 0.000 1.108 398 T CA -0.647 61.310 62.100 -0.237 0.000 1.004 398 T CB 2.848 71.644 68.868 -0.121 0.000 1.159 398 T HN 0.499 nan 8.240 nan 0.000 0.499 399 K N -0.283 119.498 120.400 -1.031 0.000 2.658 399 K HA 0.736 5.056 4.320 -0.000 0.000 0.293 399 K C -0.483 175.414 176.600 -1.172 0.000 1.026 399 K CA -0.709 54.628 56.287 -1.582 0.000 0.871 399 K CB 1.147 33.181 32.500 -0.776 0.000 1.524 399 K HN 1.770 nan 8.250 nan 0.000 0.400 400 G N -0.142 108.072 108.800 -0.976 0.000 2.347 400 G HA2 0.072 4.032 3.960 -0.000 0.000 0.477 400 G HA3 0.072 4.032 3.960 -0.000 0.000 0.477 400 G C -0.641 173.764 174.900 -0.825 0.000 1.349 400 G CA -0.353 44.372 45.100 -0.624 0.000 1.000 400 G HN 1.082 nan 8.290 nan 0.000 0.605 401 T N -0.459 113.750 114.554 -0.575 0.000 4.058 401 T HA 0.545 4.895 4.350 -0.000 0.000 0.252 401 T C 0.277 174.796 174.700 -0.302 0.000 1.264 401 T CA 0.640 62.190 62.100 -0.917 0.000 1.094 401 T CB -0.964 67.612 68.868 -0.487 0.000 1.316 401 T HN 1.499 nan 8.240 nan 0.000 0.872 402 W N -0.388 120.752 121.300 -0.267 0.000 2.895 402 W HA 0.662 5.322 4.660 -0.000 0.000 0.377 402 W C -1.453 175.057 176.519 -0.016 0.000 1.191 402 W CA -1.001 56.329 57.345 -0.024 0.000 1.179 402 W CB 0.646 30.082 29.460 -0.040 0.000 1.469 402 W HN 0.174 nan 8.180 nan 0.000 0.577 403 E N 0.599 120.955 120.200 0.260 0.000 2.367 403 E HA 0.457 4.807 4.350 -0.000 0.000 0.273 403 E C -1.303 175.369 176.600 0.120 0.000 0.903 403 E CA -1.162 55.173 56.400 -0.108 0.000 0.764 403 E CB 3.339 33.025 29.700 -0.024 0.000 1.252 403 E HN 0.153 nan 8.360 nan 0.000 0.446 404 V N 3.493 123.343 119.914 -0.106 0.000 2.461 404 V HA 0.028 4.148 4.120 -0.000 0.000 0.275 404 V C 1.181 177.344 176.094 0.114 0.000 1.047 404 V CA -0.088 62.259 62.300 0.078 0.000 0.955 404 V CB 0.646 32.408 31.823 -0.101 0.000 0.988 404 V HN 0.687 nan 8.190 nan 0.000 0.471 405 I N 3.237 123.911 120.570 0.175 0.000 2.333 405 I HA 0.218 4.388 4.170 -0.000 0.000 0.246 405 I C 1.127 177.351 176.117 0.178 0.000 1.106 405 I CA 1.236 62.633 61.300 0.162 0.000 1.411 405 I CB -0.739 37.301 38.000 0.065 0.000 1.082 405 I HN 0.757 nan 8.210 nan 0.000 0.420 406 G N 0.574 109.484 108.800 0.182 0.000 2.616 406 G HA2 0.496 4.456 3.960 -0.000 0.000 0.294 406 G HA3 0.496 4.456 3.960 -0.000 0.000 0.294 406 G C -1.193 173.801 174.900 0.157 0.000 1.489 406 G CA -0.594 44.610 45.100 0.174 0.000 0.836 406 G HN -0.036 nan 8.290 nan 0.000 0.527 407 I N 1.758 122.357 120.570 0.050 0.000 2.352 407 I HA 0.209 4.379 4.170 -0.000 0.000 0.290 407 I C 0.756 176.814 176.117 -0.099 0.000 1.036 407 I CA -0.464 60.756 61.300 -0.134 0.000 1.336 407 I CB 1.573 39.207 38.000 -0.610 0.000 1.407 407 I HN 0.504 nan 8.210 nan 0.000 0.497 408 E N 5.060 125.267 120.200 0.012 0.000 2.307 408 E HA 0.320 4.670 4.350 -0.000 0.000 0.195 408 E C 0.190 176.729 176.600 -0.102 0.000 0.975 408 E CA 0.206 56.651 56.400 0.075 0.000 0.878 408 E CB 0.787 30.626 29.700 0.232 0.000 0.845 408 E HN 0.687 nan 8.360 nan 0.000 0.488 409 A N 0.510 123.182 122.820 -0.246 0.000 2.608 409 A HA 0.615 4.935 4.320 -0.000 0.000 0.292 409 A C -2.020 175.479 177.584 -0.142 0.000 1.066 409 A CA -0.650 51.158 52.037 -0.381 0.000 0.676 409 A CB 1.255 19.492 19.000 -1.271 0.000 1.277 409 A HN 0.037 nan 8.150 nan 0.000 0.413 410 L N 1.144 122.326 121.223 -0.068 0.000 2.505 410 L HA 0.801 5.141 4.340 -0.000 0.000 0.266 410 L C -0.020 176.878 176.870 0.046 0.000 0.954 410 L CA 0.518 55.361 54.840 0.005 0.000 0.852 410 L CB 2.143 44.228 42.059 0.044 0.000 1.282 410 L HN 1.270 nan 8.230 nan 0.000 0.403 411 T N -0.365 114.235 114.554 0.076 0.000 2.910 411 T HA 0.431 4.781 4.350 -0.000 0.000 0.287 411 T C 0.971 175.718 174.700 0.077 0.000 1.050 411 T CA 0.024 62.179 62.100 0.092 0.000 1.011 411 T CB 1.334 70.287 68.868 0.141 0.000 1.195 411 T HN 0.665 nan 8.240 nan 0.000 0.540 412 S N -0.535 115.211 115.700 0.076 0.000 2.474 412 S HA -0.086 4.384 4.470 -0.000 0.000 0.235 412 S C 0.977 175.582 174.600 0.009 0.000 0.997 412 S CA 0.860 59.095 58.200 0.058 0.000 0.949 412 S CB -0.508 62.728 63.200 0.060 0.000 0.766 412 S HN 0.693 nan 8.310 nan 0.000 0.517 413 D N 0.041 120.456 120.400 0.026 0.000 2.394 413 D HA 0.226 4.866 4.640 -0.000 0.000 0.237 413 D C -0.188 175.955 176.300 -0.262 0.000 1.028 413 D CA 0.924 54.887 54.000 -0.062 0.000 0.937 413 D CB 0.149 41.047 40.800 0.163 0.000 1.072 413 D HN 0.390 nan 8.370 nan 0.000 0.457 414 Y N -0.420 119.832 120.300 -0.079 0.000 2.630 414 Y HA 0.447 4.997 4.550 -0.000 0.000 0.337 414 Y C -0.130 175.620 175.900 -0.249 0.000 1.051 414 Y CA -1.076 56.892 58.100 -0.220 0.000 1.121 414 Y CB 1.628 39.814 38.460 -0.456 0.000 1.299 414 Y HN -0.175 nan 8.280 nan 0.000 0.498 415 L N 2.519 123.647 121.223 -0.159 0.000 2.319 415 L HA 0.480 4.820 4.340 -0.000 0.000 0.281 415 L C -1.976 174.790 176.870 -0.174 0.000 1.005 415 L CA -0.857 53.869 54.840 -0.190 0.000 0.828 415 L CB 0.166 42.033 42.059 -0.320 0.000 1.227 415 L HN 0.619 nan 8.230 nan 0.000 0.415 416 Y N 6.041 126.268 120.300 -0.123 0.000 2.323 416 Y HA 0.554 5.104 4.550 -0.000 0.000 0.331 416 Y C -0.066 175.832 175.900 -0.004 0.000 1.092 416 Y CA -0.232 57.793 58.100 -0.125 0.000 1.150 416 Y CB 1.290 39.580 38.460 -0.283 0.000 1.200 416 Y HN 0.580 nan 8.280 nan 0.000 0.472 417 Y N 0.105 120.464 120.300 0.098 0.000 2.638 417 Y HA 0.812 5.362 4.550 -0.000 0.000 0.335 417 Y C -1.822 174.161 175.900 0.138 0.000 1.155 417 Y CA -2.039 56.109 58.100 0.080 0.000 1.046 417 Y CB 1.089 39.569 38.460 0.032 0.000 1.303 417 Y HN 0.407 nan 8.280 nan 0.000 0.460 418 I N 2.809 123.553 120.570 0.289 0.000 2.493 418 I HA 0.703 4.873 4.170 -0.000 0.000 0.298 418 I C -0.409 175.898 176.117 0.317 0.000 0.998 418 I CA -0.588 60.829 61.300 0.195 0.000 1.137 418 I CB 2.147 40.213 38.000 0.110 0.000 1.310 418 I HN 0.895 nan 8.210 nan 0.000 0.445 419 S N 2.761 118.610 115.700 0.249 0.000 2.656 419 S HA 0.410 4.880 4.470 -0.000 0.000 0.273 419 S C -0.767 173.894 174.600 0.103 0.000 1.168 419 S CA -0.871 57.466 58.200 0.229 0.000 0.817 419 S CB 1.717 65.112 63.200 0.324 0.000 1.146 419 S HN 0.657 nan 8.310 nan 0.000 0.475 420 N N -0.456 118.301 118.700 0.095 0.000 2.389 420 N HA 0.171 4.911 4.740 -0.000 0.000 0.260 420 N C 0.444 175.942 175.510 -0.019 0.000 1.191 420 N CA -0.316 52.745 53.050 0.018 0.000 0.885 420 N CB 0.387 38.865 38.487 -0.014 0.000 1.162 420 N HN 0.817 nan 8.380 nan 0.000 0.512 421 E N -0.107 119.954 120.200 -0.232 0.000 2.072 421 E HA -0.176 4.174 4.350 -0.000 0.000 0.190 421 E C -0.353 176.104 176.600 -0.238 0.000 0.982 421 E CA 0.158 56.183 56.400 -0.625 0.000 0.803 421 E CB -0.079 28.587 29.700 -1.724 0.000 0.755 421 E HN 0.360 nan 8.360 nan 0.000 0.453 422 Y N 1.985 122.190 120.300 -0.158 0.000 2.865 422 Y HA -0.142 4.408 4.550 -0.000 0.000 0.338 422 Y C 0.297 176.158 175.900 -0.064 0.000 1.269 422 Y CA 0.811 58.870 58.100 -0.068 0.000 1.585 422 Y CB 0.033 38.480 38.460 -0.022 0.000 1.224 422 Y HN 0.110 nan 8.280 nan 0.000 0.554 423 K N 3.068 123.209 120.400 -0.433 0.000 3.349 423 K HA -0.209 4.111 4.320 -0.000 0.000 0.310 423 K C 0.785 177.319 176.600 -0.110 0.000 1.267 423 K CA 1.232 57.318 56.287 -0.336 0.000 0.920 423 K CB -1.711 30.549 32.500 -0.401 0.000 1.240 423 K HN 1.327 nan 8.250 nan 0.000 0.453 424 G N -0.137 108.612 108.800 -0.085 0.000 2.203 424 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.263 424 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.263 424 G C 0.003 174.892 174.900 -0.018 0.000 1.012 424 G CA 0.738 45.833 45.100 -0.008 0.000 0.749 424 G HN 0.297 nan 8.290 nan 0.000 0.512 425 M N 1.012 120.528 119.600 -0.141 0.000 2.111 425 M HA 0.236 4.716 4.480 -0.000 0.000 0.351 425 M C -0.905 175.142 176.300 -0.421 0.000 1.214 425 M CA -1.989 53.055 55.300 -0.428 0.000 1.120 425 M CB 1.589 34.014 32.600 -0.293 0.000 1.443 425 M HN -0.057 nan 8.290 nan 0.000 0.429 426 P HA -0.078 nan 4.420 nan 0.000 0.225 426 P C 0.970 178.111 177.300 -0.266 0.000 1.148 426 P CA 1.121 64.035 63.100 -0.310 0.000 0.779 426 P CB 0.148 31.679 31.700 -0.281 0.000 0.780 427 G N -0.572 108.002 108.800 -0.377 0.000 3.233 427 G HA2 0.304 4.264 3.960 -0.000 0.000 0.227 427 G HA3 0.304 4.264 3.960 -0.000 0.000 0.227 427 G C 0.644 175.538 174.900 -0.009 0.000 1.175 427 G CA 0.048 45.062 45.100 -0.143 0.000 0.781 427 G HN 0.422 nan 8.290 nan 0.000 0.542 428 G N -0.181 108.556 108.800 -0.105 0.000 2.454 428 G HA2 0.643 4.603 3.960 -0.000 0.000 0.329 428 G HA3 0.643 4.603 3.960 -0.000 0.000 0.329 428 G C -0.891 173.878 174.900 -0.217 0.000 1.177 428 G CA -0.759 44.308 45.100 -0.054 0.000 0.951 428 G HN 0.059 nan 8.290 nan 0.000 0.485 429 R N 1.157 121.478 120.500 -0.297 0.000 2.538 429 R HA 0.448 4.788 4.340 -0.000 0.000 0.292 429 R C -1.204 175.053 176.300 -0.072 0.000 1.008 429 R CA -0.800 55.102 56.100 -0.330 0.000 0.896 429 R CB 2.000 31.828 30.300 -0.787 0.000 1.187 429 R HN 0.599 nan 8.270 nan 0.000 0.440 430 N N 1.717 120.399 118.700 -0.030 0.000 2.329 430 N HA 0.317 5.057 4.740 -0.000 0.000 0.282 430 N C -1.280 174.121 175.510 -0.182 0.000 1.198 430 N CA -0.805 52.149 53.050 -0.160 0.000 0.790 430 N CB 2.786 41.080 38.487 -0.321 0.000 1.579 430 N HN 0.247 nan 8.380 nan 0.000 0.475 431 L N 2.227 123.198 121.223 -0.420 0.000 2.292 431 L HA 0.486 4.826 4.340 -0.000 0.000 0.284 431 L C -1.404 175.124 176.870 -0.570 0.000 1.065 431 L CA 0.065 54.694 54.840 -0.351 0.000 0.806 431 L CB -0.054 41.797 42.059 -0.345 0.000 1.175 431 L HN 0.411 nan 8.230 nan 0.000 0.431 432 Y N 3.214 123.161 120.300 -0.588 0.000 2.602 432 Y HA 0.638 5.188 4.550 -0.000 0.000 0.342 432 Y C -0.556 174.966 175.900 -0.630 0.000 1.029 432 Y CA -0.957 56.746 58.100 -0.662 0.000 1.080 432 Y CB 1.695 39.605 38.460 -0.917 0.000 1.284 432 Y HN 0.558 nan 8.280 nan 0.000 0.485 433 K N 1.834 122.052 120.400 -0.303 0.000 2.507 433 K HA 0.693 5.013 4.320 -0.000 0.000 0.251 433 K C -1.942 174.617 176.600 -0.069 0.000 0.943 433 K CA -0.640 55.402 56.287 -0.408 0.000 0.794 433 K CB 2.435 34.448 32.500 -0.812 0.000 1.188 433 K HN 0.758 nan 8.250 nan 0.000 0.428 434 I N 2.867 123.474 120.570 0.063 0.000 2.378 434 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 434 I C -0.521 175.661 176.117 0.108 0.000 0.992 434 I CA -0.732 60.666 61.300 0.165 0.000 1.154 434 I CB 1.738 39.857 38.000 0.199 0.000 1.315 434 I HN 0.873 nan 8.210 nan 0.000 0.448 435 Q N 5.792 125.615 119.800 0.038 0.000 2.271 435 Q HA 0.052 4.392 4.340 -0.000 0.000 0.273 435 Q C 0.141 176.013 176.000 -0.213 0.000 1.051 435 Q CA -0.479 55.082 55.803 -0.402 0.000 0.901 435 Q CB 1.172 29.714 28.738 -0.326 0.000 1.174 435 Q HN 0.762 nan 8.270 nan 0.000 0.385 436 L N 3.425 124.477 121.223 -0.286 0.000 2.191 436 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 436 L C 2.008 178.742 176.870 -0.227 0.000 1.103 436 L CA 1.448 56.218 54.840 -0.117 0.000 0.769 436 L CB -0.728 41.253 42.059 -0.130 0.000 0.908 436 L HN 0.638 nan 8.230 nan 0.000 0.438 437 S N -1.468 114.068 115.700 -0.272 0.000 2.414 437 S HA -0.060 4.410 4.470 -0.000 0.000 0.227 437 S C 0.572 174.988 174.600 -0.305 0.000 1.022 437 S CA 0.728 58.772 58.200 -0.259 0.000 0.958 437 S CB -0.004 63.074 63.200 -0.204 0.000 0.797 437 S HN 0.432 nan 8.310 nan 0.000 0.493 438 D N -0.553 119.681 120.400 -0.278 0.000 2.319 438 D HA 0.248 4.888 4.640 -0.000 0.000 0.237 438 D C -0.296 175.945 176.300 -0.098 0.000 1.353 438 D CA -0.537 53.321 54.000 -0.238 0.000 0.992 438 D CB 0.097 40.820 40.800 -0.129 0.000 1.368 438 D HN -0.088 nan 8.370 nan 0.000 0.564 439 Y N 1.388 121.659 120.300 -0.048 0.000 2.556 439 Y HA -0.074 4.476 4.550 -0.000 0.000 0.290 439 Y C 2.378 178.279 175.900 0.002 0.000 1.149 439 Y CA 0.765 58.851 58.100 -0.023 0.000 1.329 439 Y CB -0.820 37.628 38.460 -0.019 0.000 0.975 439 Y HN 0.356 nan 8.280 nan 0.000 0.561 440 T N -0.338 114.281 114.554 0.109 0.000 2.951 440 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 440 T C 0.732 175.475 174.700 0.072 0.000 1.073 440 T CA 0.695 62.840 62.100 0.075 0.000 1.134 440 T CB -0.148 68.737 68.868 0.029 0.000 0.884 440 T HN 0.191 nan 8.240 nan 0.000 0.479 441 K N 1.909 122.350 120.400 0.069 0.000 2.257 441 K HA 0.453 4.773 4.320 -0.000 0.000 0.270 441 K C -1.144 175.524 176.600 0.112 0.000 1.098 441 K CA -0.224 56.108 56.287 0.074 0.000 0.943 441 K CB 1.605 34.138 32.500 0.054 0.000 1.316 441 K HN -0.010 nan 8.250 nan 0.000 0.447 442 V N 2.933 122.915 119.914 0.113 0.000 2.487 442 V HA 0.415 4.535 4.120 -0.000 0.000 0.298 442 V C -1.037 175.115 176.094 0.096 0.000 1.028 442 V CA -0.159 62.223 62.300 0.137 0.000 0.860 442 V CB 1.976 33.906 31.823 0.178 0.000 0.991 442 V HN 0.661 nan 8.190 nan 0.000 0.427 443 T N 5.923 120.502 114.554 0.041 0.000 2.812 443 T HA 0.293 4.643 4.350 -0.000 0.000 0.282 443 T C -0.511 174.085 174.700 -0.174 0.000 0.990 443 T CA -0.268 61.801 62.100 -0.053 0.000 0.960 443 T CB 1.065 69.876 68.868 -0.096 0.000 0.948 443 T HN 0.875 nan 8.240 nan 0.000 0.438 444 C N 5.203 124.321 119.300 -0.304 0.000 2.482 444 C HA 0.398 4.858 4.460 -0.000 0.000 0.378 444 C C 1.636 176.281 174.990 -0.575 0.000 1.284 444 C CA -0.558 57.999 59.018 -0.769 0.000 1.826 444 C CB -1.811 25.336 27.740 -0.989 0.000 2.473 444 C HN 0.982 nan 8.230 nan 0.000 0.562 445 L N 4.845 125.715 121.223 -0.588 0.000 2.567 445 L HA 0.102 4.442 4.340 -0.000 0.000 0.225 445 L C 2.031 178.591 176.870 -0.516 0.000 1.119 445 L CA 0.799 55.377 54.840 -0.437 0.000 0.871 445 L CB -0.280 41.565 42.059 -0.357 0.000 1.036 445 L HN 0.893 nan 8.230 nan 0.000 0.459 446 S N -3.422 111.848 115.700 -0.716 0.000 2.628 446 S HA -0.006 4.464 4.470 -0.000 0.000 0.246 446 S C 1.800 175.952 174.600 -0.747 0.000 1.062 446 S CA -0.067 57.602 58.200 -0.886 0.000 1.028 446 S CB -0.290 61.982 63.200 -1.546 0.000 0.985 446 S HN 0.285 nan 8.310 nan 0.000 0.551 447 C N 2.256 121.081 119.300 -0.792 0.000 2.363 447 C HA -0.064 4.396 4.460 -0.000 0.000 0.274 447 C C 2.504 177.191 174.990 -0.506 0.000 1.183 447 C CA 1.693 60.162 59.018 -0.915 0.000 1.771 447 C CB -1.137 25.762 27.740 -1.403 0.000 2.059 447 C HN 0.625 nan 8.230 nan 0.000 0.455 448 E N -0.022 119.969 120.200 -0.347 0.000 2.479 448 E HA 0.165 4.514 4.350 -0.000 0.000 0.193 448 E C 1.898 178.447 176.600 -0.086 0.000 1.049 448 E CA -0.069 56.243 56.400 -0.146 0.000 0.870 448 E CB -0.257 29.378 29.700 -0.108 0.000 0.944 448 E HN 0.559 nan 8.360 nan 0.000 0.492 449 L N 0.305 121.464 121.223 -0.107 0.000 2.013 449 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 449 L C 1.012 177.896 176.870 0.023 0.000 1.073 449 L CA 1.090 55.914 54.840 -0.027 0.000 0.753 449 L CB -0.064 41.995 42.059 0.001 0.000 0.890 449 L HN 0.153 nan 8.230 nan 0.000 0.432 450 N N -1.625 117.108 118.700 0.054 0.000 2.884 450 N HA 0.072 4.812 4.740 -0.000 0.000 0.211 450 N C -2.063 173.488 175.510 0.068 0.000 1.442 450 N CA -0.815 52.265 53.050 0.050 0.000 0.757 450 N CB 0.680 39.192 38.487 0.041 0.000 1.461 450 N HN -0.157 nan 8.380 nan 0.000 0.557 451 P HA -0.177 nan 4.420 nan 0.000 0.217 451 P C 0.807 178.163 177.300 0.093 0.000 1.148 451 P CA 1.264 64.433 63.100 0.116 0.000 0.834 451 P CB 0.669 32.448 31.700 0.131 0.000 0.783 452 E N -0.380 119.854 120.200 0.057 0.000 2.076 452 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 452 E C 2.327 178.940 176.600 0.022 0.000 0.979 452 E CA 0.787 57.209 56.400 0.038 0.000 0.807 452 E CB -0.199 29.515 29.700 0.023 0.000 0.761 452 E HN 0.309 nan 8.360 nan 0.000 0.454 453 R N -0.166 120.337 120.500 0.005 0.000 2.189 453 R HA 0.071 4.411 4.340 -0.000 0.000 0.203 453 R C 0.036 176.304 176.300 -0.053 0.000 1.012 453 R CA 0.404 56.484 56.100 -0.032 0.000 1.015 453 R CB 0.462 30.728 30.300 -0.056 0.000 0.938 453 R HN 0.010 nan 8.270 nan 0.000 0.472 454 c N 1.220 119.805 118.600 -0.026 0.000 2.322 454 c HA 0.427 4.997 4.570 -0.000 0.000 0.324 454 c C 0.018 174.143 174.090 0.057 0.000 1.249 454 c CA -0.685 55.589 56.329 -0.093 0.000 1.453 454 c CB 1.415 43.807 42.510 -0.196 0.000 2.145 454 c HN 0.520 nan 8.230 nan 0.000 0.466 455 Q N 0.498 120.322 119.800 0.040 0.000 2.073 455 Q HA 0.177 4.517 4.340 -0.000 0.000 0.215 455 Q C -0.997 175.103 176.000 0.167 0.000 0.776 455 Q CA 0.040 55.938 55.803 0.159 0.000 1.008 455 Q CB 1.361 30.189 28.738 0.150 0.000 1.196 455 Q HN 0.794 nan 8.270 nan 0.000 0.458 456 Y N 0.518 120.762 120.300 -0.094 0.000 2.373 456 Y HA 0.382 4.932 4.550 -0.000 0.000 0.327 456 Y C -1.595 174.189 175.900 -0.194 0.000 1.036 456 Y CA -1.058 56.997 58.100 -0.076 0.000 1.265 456 Y CB 0.789 39.198 38.460 -0.084 0.000 1.108 456 Y HN -0.077 nan 8.280 nan 0.000 0.471 457 Y N 2.062 122.311 120.300 -0.086 0.000 2.509 457 Y HA 0.693 5.243 4.550 -0.000 0.000 0.341 457 Y C 0.137 176.005 175.900 -0.053 0.000 1.038 457 Y CA -0.699 57.366 58.100 -0.058 0.000 1.089 457 Y CB 2.292 40.682 38.460 -0.116 0.000 1.241 457 Y HN 0.494 nan 8.280 nan 0.000 0.468 458 S N 0.611 116.416 115.700 0.176 0.000 2.595 458 S HA 0.869 5.339 4.470 -0.000 0.000 0.281 458 S C -1.633 173.051 174.600 0.140 0.000 1.117 458 S CA -0.770 57.515 58.200 0.142 0.000 0.873 458 S CB 1.836 65.129 63.200 0.155 0.000 1.108 458 S HN 0.645 nan 8.310 nan 0.000 0.477 459 V N 0.410 120.405 119.914 0.134 0.000 3.007 459 V HA 0.877 4.997 4.120 -0.000 0.000 0.311 459 V C -1.209 174.975 176.094 0.150 0.000 1.120 459 V CA -0.300 62.053 62.300 0.089 0.000 0.980 459 V CB 2.342 34.142 31.823 -0.040 0.000 1.033 459 V HN 1.188 nan 8.190 nan 0.000 0.429 460 S N 4.504 120.277 115.700 0.122 0.000 2.789 460 S HA 0.671 5.141 4.470 -0.000 0.000 0.286 460 S C -1.188 173.552 174.600 0.234 0.000 1.153 460 S CA -0.391 57.977 58.200 0.280 0.000 1.084 460 S CB 0.351 63.769 63.200 0.364 0.000 1.036 460 S HN 0.493 nan 8.310 nan 0.000 0.484 461 F N 2.918 122.928 119.950 0.100 0.000 2.371 461 F HA 0.464 4.991 4.527 -0.000 0.000 0.329 461 F C 1.462 176.867 175.800 -0.659 0.000 1.107 461 F CA -0.309 57.589 58.000 -0.170 0.000 1.137 461 F CB 1.248 40.116 39.000 -0.220 0.000 1.214 461 F HN 0.621 nan 8.300 nan 0.000 0.536 462 S N 1.521 116.666 115.700 -0.925 0.000 2.626 462 S HA 0.161 4.631 4.470 -0.000 0.000 0.257 462 S C 1.204 175.540 174.600 -0.440 0.000 1.288 462 S CA -0.799 56.569 58.200 -1.386 0.000 0.980 462 S CB 0.671 63.154 63.200 -1.195 0.000 0.975 462 S HN 0.514 nan 8.310 nan 0.000 0.577 463 K N 0.836 121.110 120.400 -0.211 0.000 2.089 463 K HA -0.095 4.225 4.320 -0.000 0.000 0.210 463 K C 0.842 177.416 176.600 -0.044 0.000 1.048 463 K CA 1.546 57.813 56.287 -0.032 0.000 0.926 463 K CB -0.424 32.111 32.500 0.057 0.000 0.714 463 K HN 0.668 nan 8.250 nan 0.000 0.448 464 E N -0.970 119.173 120.200 -0.094 0.000 2.685 464 E HA 0.258 4.608 4.350 -0.000 0.000 0.208 464 E C -0.037 176.495 176.600 -0.113 0.000 0.996 464 E CA 0.055 56.411 56.400 -0.074 0.000 1.054 464 E CB 0.595 30.265 29.700 -0.050 0.000 1.075 464 E HN 0.210 nan 8.360 nan 0.000 0.460 465 A N 1.213 123.951 122.820 -0.135 0.000 2.860 465 A HA -0.330 3.990 4.320 -0.000 0.000 0.267 465 A C 1.545 179.067 177.584 -0.104 0.000 1.421 465 A CA 1.721 53.706 52.037 -0.086 0.000 0.831 465 A CB -2.030 16.816 19.000 -0.256 0.000 1.041 465 A HN 0.283 nan 8.150 nan 0.000 0.623 466 K N -1.885 118.369 120.400 -0.244 0.000 2.155 466 K HA 0.083 4.403 4.320 -0.000 0.000 0.203 466 K C 0.133 176.343 176.600 -0.649 0.000 1.052 466 K CA 1.525 57.537 56.287 -0.458 0.000 0.948 466 K CB -0.015 32.122 32.500 -0.605 0.000 0.728 466 K HN 0.679 nan 8.250 nan 0.000 0.448 467 Y N -1.235 118.954 120.300 -0.185 0.000 2.609 467 Y HA 0.332 4.882 4.550 -0.000 0.000 0.342 467 Y C -1.068 174.732 175.900 -0.166 0.000 1.058 467 Y CA -1.353 56.652 58.100 -0.159 0.000 1.055 467 Y CB 1.723 40.113 38.460 -0.115 0.000 1.292 467 Y HN -0.024 nan 8.280 nan 0.000 0.476 468 Y N -0.984 119.290 120.300 -0.042 0.000 2.519 468 Y HA 0.508 5.058 4.550 -0.000 0.000 0.336 468 Y C -1.315 174.588 175.900 0.004 0.000 1.089 468 Y CA -1.416 56.504 58.100 -0.300 0.000 1.025 468 Y CB 1.440 39.202 38.460 -1.162 0.000 1.318 468 Y HN 0.609 nan 8.280 nan 0.000 0.452 469 Q N 4.096 124.004 119.800 0.180 0.000 2.271 469 Q HA 0.598 4.938 4.340 -0.000 0.000 0.258 469 Q C -1.806 174.279 176.000 0.141 0.000 0.936 469 Q CA -0.736 55.144 55.803 0.129 0.000 0.909 469 Q CB 1.429 30.209 28.738 0.071 0.000 1.253 469 Q HN 0.974 nan 8.270 nan 0.000 0.440 470 L N 4.127 125.454 121.223 0.174 0.000 2.309 470 L HA 0.545 4.885 4.340 -0.000 0.000 0.282 470 L C -0.272 176.671 176.870 0.122 0.000 1.036 470 L CA -0.624 54.323 54.840 0.178 0.000 0.806 470 L CB 1.480 43.655 42.059 0.193 0.000 1.220 470 L HN 0.619 nan 8.230 nan 0.000 0.429 471 R N 2.287 122.827 120.500 0.067 0.000 2.320 471 R HA 0.307 4.647 4.340 -0.000 0.000 0.319 471 R C -0.987 175.126 176.300 -0.311 0.000 0.969 471 R CA -0.484 55.483 56.100 -0.223 0.000 0.857 471 R CB 1.509 31.764 30.300 -0.074 0.000 1.160 471 R HN 0.582 nan 8.270 nan 0.000 0.491 472 c N 2.938 121.215 118.600 -0.539 0.000 2.325 472 c HA 0.315 4.885 4.570 -0.000 0.000 0.347 472 c C 1.518 175.349 174.090 -0.431 0.000 1.263 472 c CA -0.297 55.626 56.329 -0.677 0.000 1.806 472 c CB -0.035 42.045 42.510 -0.718 0.000 2.405 472 c HN 0.976 nan 8.230 nan 0.000 0.537 473 S N 3.879 119.426 115.700 -0.255 0.000 2.559 473 S HA 0.597 5.067 4.470 -0.000 0.000 0.226 473 S C 0.520 175.068 174.600 -0.086 0.000 1.000 473 S CA 0.243 58.359 58.200 -0.140 0.000 0.948 473 S CB 0.087 63.232 63.200 -0.092 0.000 0.870 473 S HN 1.859 nan 8.310 nan 0.000 0.497 474 G N 1.753 110.492 108.800 -0.102 0.000 2.320 474 G HA2 0.352 4.312 3.960 -0.000 0.000 0.297 474 G HA3 0.352 4.312 3.960 -0.000 0.000 0.297 474 G C -2.958 171.928 174.900 -0.022 0.000 1.344 474 G CA -0.398 44.689 45.100 -0.022 0.000 0.851 474 G HN -0.130 nan 8.290 nan 0.000 0.567 475 P HA 0.109 nan 4.420 nan 0.000 0.229 475 P C 1.270 178.613 177.300 0.073 0.000 1.160 475 P CA 1.431 64.567 63.100 0.060 0.000 0.777 475 P CB 0.299 32.031 31.700 0.053 0.000 0.814 476 G N 0.349 109.126 108.800 -0.038 0.000 2.535 476 G HA2 0.400 4.360 3.960 -0.000 0.000 0.282 476 G HA3 0.400 4.360 3.960 -0.000 0.000 0.282 476 G C -0.308 174.368 174.900 -0.374 0.000 1.350 476 G CA -0.769 44.239 45.100 -0.154 0.000 1.039 476 G HN 0.046 nan 8.290 nan 0.000 0.509 477 L N 1.224 122.121 121.223 -0.544 0.000 2.490 477 L HA 0.137 4.477 4.340 -0.000 0.000 0.274 477 L C -1.826 174.840 176.870 -0.340 0.000 1.201 477 L CA -1.202 53.235 54.840 -0.672 0.000 0.869 477 L CB 0.664 42.428 42.059 -0.491 0.000 1.123 477 L HN 0.240 nan 8.230 nan 0.000 0.484 478 P HA -0.027 nan 4.420 nan 0.000 0.263 478 P C -0.940 176.260 177.300 -0.166 0.000 1.175 478 P CA 0.143 63.134 63.100 -0.182 0.000 0.761 478 P CB 0.478 32.169 31.700 -0.015 0.000 0.794 479 L N 5.546 126.581 121.223 -0.313 0.000 2.406 479 L HA 0.468 4.808 4.340 -0.000 0.000 0.272 479 L C -1.740 174.944 176.870 -0.311 0.000 0.980 479 L CA -0.683 54.043 54.840 -0.189 0.000 0.831 479 L CB 0.876 42.848 42.059 -0.145 0.000 1.253 479 L HN 0.209 nan 8.230 nan 0.000 0.406 480 Y N 2.809 123.062 120.300 -0.079 0.000 2.331 480 Y HA 0.765 5.315 4.550 -0.000 0.000 0.338 480 Y C 0.609 176.397 175.900 -0.187 0.000 0.992 480 Y CA -0.508 57.526 58.100 -0.109 0.000 1.121 480 Y CB 1.991 40.370 38.460 -0.134 0.000 1.184 480 Y HN 0.684 nan 8.280 nan 0.000 0.469 481 T N 1.138 115.680 114.554 -0.020 0.000 2.901 481 T HA 0.723 5.073 4.350 -0.000 0.000 0.293 481 T C -1.287 173.282 174.700 -0.217 0.000 1.084 481 T CA -0.959 61.050 62.100 -0.151 0.000 1.008 481 T CB 1.799 70.612 68.868 -0.093 0.000 1.170 481 T HN 0.576 nan 8.240 nan 0.000 0.509 482 L N 1.416 122.366 121.223 -0.456 0.000 2.346 482 L HA 0.682 5.022 4.340 -0.000 0.000 0.274 482 L C -1.171 175.285 176.870 -0.691 0.000 1.007 482 L CA -0.821 53.792 54.840 -0.378 0.000 0.818 482 L CB 1.643 43.532 42.059 -0.283 0.000 1.284 482 L HN 0.903 nan 8.230 nan 0.000 0.424 483 H N 0.241 119.050 119.070 -0.434 0.000 2.946 483 H HA 0.465 5.021 4.556 -0.000 0.000 0.365 483 H C -0.687 174.418 175.328 -0.372 0.000 1.197 483 H CA -0.797 54.928 56.048 -0.539 0.000 1.131 483 H CB 1.932 31.085 29.762 -1.015 0.000 1.849 483 H HN 0.428 nan 8.280 nan 0.000 0.555 484 S N -0.082 115.587 115.700 -0.053 0.000 2.449 484 S HA 0.272 4.742 4.470 -0.000 0.000 0.310 484 S C 0.333 174.938 174.600 0.008 0.000 1.096 484 S CA -0.713 57.492 58.200 0.008 0.000 1.095 484 S CB 1.560 64.796 63.200 0.060 0.000 1.007 484 S HN 0.564 nan 8.310 nan 0.000 0.474 485 S N 2.456 118.175 115.700 0.032 0.000 2.399 485 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 485 S C 1.973 176.605 174.600 0.054 0.000 1.022 485 S CA 1.001 59.303 58.200 0.169 0.000 0.983 485 S CB -0.529 62.747 63.200 0.126 0.000 0.803 485 S HN 0.726 nan 8.310 nan 0.000 0.480 486 V N 2.682 122.580 119.914 -0.027 0.000 2.233 486 V HA -0.303 3.817 4.120 -0.000 0.000 0.252 486 V C 0.847 176.941 176.094 0.001 0.000 1.063 486 V CA 2.405 64.695 62.300 -0.017 0.000 1.032 486 V CB -0.445 31.358 31.823 -0.033 0.000 0.645 486 V HN 0.627 nan 8.190 nan 0.000 0.446 487 N N -1.334 117.370 118.700 0.007 0.000 2.194 487 N HA 0.175 4.914 4.740 -0.000 0.000 0.231 487 N C -0.603 174.918 175.510 0.017 0.000 1.247 487 N CA 0.403 53.457 53.050 0.006 0.000 0.884 487 N CB 0.595 39.087 38.487 0.009 0.000 1.146 487 N HN 0.426 nan 8.380 nan 0.000 0.516 488 D N 1.426 121.859 120.400 0.054 0.000 2.723 488 D HA -0.161 4.479 4.640 -0.000 0.000 0.236 488 D C -0.425 175.920 176.300 0.075 0.000 1.138 488 D CA 1.162 55.227 54.000 0.108 0.000 0.676 488 D CB -0.692 40.150 40.800 0.070 0.000 1.069 488 D HN 0.433 nan 8.370 nan 0.000 0.430 489 K N 0.135 120.562 120.400 0.046 0.000 2.237 489 K HA 0.394 4.714 4.320 -0.000 0.000 0.270 489 K C 1.048 177.653 176.600 0.008 0.000 1.015 489 K CA -0.105 56.197 56.287 0.025 0.000 0.949 489 K CB 0.979 33.486 32.500 0.010 0.000 0.976 489 K HN 0.112 nan 8.250 nan 0.000 0.472 490 G N 2.853 111.639 108.800 -0.024 0.000 2.391 490 G HA2 0.180 4.139 3.960 -0.000 0.000 0.305 490 G HA3 0.180 4.139 3.960 -0.000 0.000 0.305 490 G C 0.845 175.618 174.900 -0.212 0.000 1.072 490 G CA -0.427 44.560 45.100 -0.187 0.000 1.016 490 G HN 0.558 nan 8.290 nan 0.000 0.418 491 L N 1.727 122.784 121.223 -0.276 0.000 2.027 491 L HA 0.166 4.506 4.340 -0.000 0.000 0.206 491 L C 1.631 178.395 176.870 -0.178 0.000 1.074 491 L CA 1.106 55.841 54.840 -0.176 0.000 0.745 491 L CB -0.338 41.628 42.059 -0.155 0.000 0.898 491 L HN 0.732 nan 8.230 nan 0.000 0.433 492 R N -2.670 117.676 120.500 -0.257 0.000 3.012 492 R HA 0.343 4.683 4.340 -0.000 0.000 0.287 492 R C -1.600 174.550 176.300 -0.250 0.000 0.990 492 R CA -0.960 55.017 56.100 -0.206 0.000 0.839 492 R CB 1.025 31.233 30.300 -0.153 0.000 1.317 492 R HN -0.298 nan 8.270 nan 0.000 0.518 493 V N 2.654 122.455 119.914 -0.188 0.000 2.432 493 V HA 0.189 4.309 4.120 -0.000 0.000 0.271 493 V C 1.258 177.214 176.094 -0.230 0.000 1.046 493 V CA -0.360 61.833 62.300 -0.179 0.000 0.945 493 V CB 1.121 32.879 31.823 -0.107 0.000 0.992 493 V HN 0.619 nan 8.190 nan 0.000 0.471 494 L N 2.648 123.669 121.223 -0.336 0.000 2.253 494 L HA 0.310 4.650 4.340 -0.000 0.000 0.205 494 L C 0.675 177.365 176.870 -0.299 0.000 1.078 494 L CA 0.639 55.127 54.840 -0.587 0.000 0.805 494 L CB 0.239 41.515 42.059 -1.306 0.000 0.963 494 L HN 0.691 nan 8.230 nan 0.000 0.459 495 E N -0.111 120.024 120.200 -0.107 0.000 2.397 495 E HA 0.085 4.435 4.350 -0.000 0.000 0.293 495 E C -1.224 175.438 176.600 0.103 0.000 0.930 495 E CA -0.337 56.092 56.400 0.049 0.000 0.793 495 E CB 1.064 30.822 29.700 0.097 0.000 1.259 495 E HN 0.148 nan 8.360 nan 0.000 0.406 496 D N 2.968 123.399 120.400 0.052 0.000 2.469 496 D HA 0.160 4.800 4.640 -0.000 0.000 0.213 496 D C -0.248 176.061 176.300 0.016 0.000 1.135 496 D CA -0.221 53.794 54.000 0.024 0.000 0.834 496 D CB 0.009 40.803 40.800 -0.009 0.000 1.009 496 D HN 0.436 nan 8.370 nan 0.000 0.507 497 N N 0.416 119.143 118.700 0.044 0.000 2.725 497 N HA -0.212 4.528 4.740 -0.000 0.000 0.249 497 N C 0.938 176.452 175.510 0.007 0.000 1.103 497 N CA 0.924 53.992 53.050 0.030 0.000 0.707 497 N CB -1.370 37.122 38.487 0.007 0.000 1.043 497 N HN 0.488 nan 8.380 nan 0.000 0.553 498 S N -1.264 114.442 115.700 0.011 0.000 2.419 498 S HA -0.030 4.440 4.470 -0.000 0.000 0.233 498 S C 2.081 176.695 174.600 0.022 0.000 1.016 498 S CA 0.933 59.137 58.200 0.006 0.000 0.974 498 S CB -0.075 63.130 63.200 0.007 0.000 0.786 498 S HN 0.508 nan 8.310 nan 0.000 0.492 499 A N 2.017 124.859 122.820 0.036 0.000 1.877 499 A HA 0.082 4.402 4.320 -0.000 0.000 0.216 499 A C 2.224 179.850 177.584 0.071 0.000 1.186 499 A CA 1.573 53.640 52.037 0.051 0.000 0.620 499 A CB -0.882 18.151 19.000 0.055 0.000 0.822 499 A HN 0.528 nan 8.150 nan 0.000 0.443 500 L N 0.163 121.430 121.223 0.074 0.000 2.093 500 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 500 L C 1.862 178.771 176.870 0.065 0.000 1.085 500 L CA 2.670 57.573 54.840 0.105 0.000 0.755 500 L CB -0.667 41.454 42.059 0.103 0.000 0.904 500 L HN 0.438 nan 8.230 nan 0.000 0.435 501 D N -0.611 119.798 120.400 0.016 0.000 2.123 501 D HA -0.201 4.439 4.640 -0.000 0.000 0.196 501 D C 1.937 178.246 176.300 0.014 0.000 0.992 501 D CA 1.164 55.157 54.000 -0.011 0.000 0.833 501 D CB 0.131 40.912 40.800 -0.031 0.000 0.954 501 D HN 0.187 nan 8.370 nan 0.000 0.455 502 K N -0.176 120.244 120.400 0.034 0.000 2.097 502 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 502 K C 2.222 178.863 176.600 0.068 0.000 1.050 502 K CA 0.464 56.777 56.287 0.043 0.000 0.938 502 K CB -0.537 31.989 32.500 0.045 0.000 0.718 502 K HN 0.335 nan 8.250 nan 0.000 0.442 503 M N 0.524 120.187 119.600 0.104 0.000 2.132 503 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 503 M C 1.825 178.196 176.300 0.118 0.000 1.065 503 M CA 1.294 56.701 55.300 0.179 0.000 1.122 503 M CB 0.007 32.788 32.600 0.302 0.000 1.365 503 M HN -0.003 nan 8.290 nan 0.000 0.411 504 L N -0.006 121.231 121.223 0.024 0.000 2.376 504 L HA -0.171 4.169 4.340 -0.000 0.000 0.219 504 L C 2.218 179.064 176.870 -0.039 0.000 1.133 504 L CA 0.692 55.480 54.840 -0.086 0.000 0.816 504 L CB -0.631 41.381 42.059 -0.078 0.000 0.933 504 L HN 0.482 nan 8.230 nan 0.000 0.449 505 Q N -1.045 118.757 119.800 0.004 0.000 2.482 505 Q HA -0.051 4.289 4.340 -0.000 0.000 0.209 505 Q C 0.817 176.833 176.000 0.027 0.000 0.961 505 Q CA 0.571 56.382 55.803 0.012 0.000 0.945 505 Q CB -0.198 28.551 28.738 0.018 0.000 1.012 505 Q HN 0.464 nan 8.270 nan 0.000 0.515 506 N N 0.756 119.479 118.700 0.039 0.000 2.230 506 N HA 0.106 4.846 4.740 -0.000 0.000 0.202 506 N C -0.658 174.887 175.510 0.059 0.000 1.119 506 N CA 0.137 53.224 53.050 0.061 0.000 0.851 506 N CB 1.626 40.169 38.487 0.093 0.000 0.990 506 N HN 0.088 nan 8.380 nan 0.000 0.497 507 V N 0.801 120.725 119.914 0.016 0.000 2.876 507 V HA 0.266 4.386 4.120 -0.000 0.000 0.312 507 V C -0.990 175.101 176.094 -0.004 0.000 1.085 507 V CA -0.734 61.571 62.300 0.008 0.000 0.945 507 V CB 2.428 34.207 31.823 -0.074 0.000 1.017 507 V HN -0.018 nan 8.190 nan 0.000 0.428 508 Q N 6.064 125.873 119.800 0.014 0.000 2.553 508 Q HA 0.343 4.683 4.340 -0.000 0.000 0.221 508 Q C -0.492 175.475 176.000 -0.054 0.000 1.219 508 Q CA -0.284 55.503 55.803 -0.026 0.000 0.955 508 Q CB 0.678 29.401 28.738 -0.025 0.000 1.399 508 Q HN 0.589 nan 8.270 nan 0.000 0.551 509 M N 3.612 123.167 119.600 -0.075 0.000 2.242 509 M HA 0.329 4.809 4.480 -0.000 0.000 0.344 509 M C -1.905 174.320 176.300 -0.125 0.000 1.140 509 M CA -2.325 52.914 55.300 -0.100 0.000 1.160 509 M CB -0.144 32.398 32.600 -0.098 0.000 1.491 509 M HN 0.304 nan 8.290 nan 0.000 0.459 510 P HA 0.281 nan 4.420 nan 0.000 0.279 510 P C -0.792 176.416 177.300 -0.153 0.000 1.276 510 P CA -0.361 62.640 63.100 -0.164 0.000 0.801 510 P CB 0.706 32.297 31.700 -0.183 0.000 1.127 511 S N -1.055 114.543 115.700 -0.169 0.000 2.739 511 S HA 0.643 5.113 4.470 -0.000 0.000 0.306 511 S C -0.551 173.947 174.600 -0.170 0.000 1.115 511 S CA -0.741 57.375 58.200 -0.140 0.000 0.985 511 S CB 1.733 64.859 63.200 -0.124 0.000 1.133 511 S HN 0.546 nan 8.310 nan 0.000 0.541 512 K N 0.300 120.625 120.400 -0.124 0.000 2.443 512 K HA 0.448 4.768 4.320 -0.000 0.000 0.252 512 K C -1.554 174.993 176.600 -0.089 0.000 0.933 512 K CA -0.552 55.665 56.287 -0.117 0.000 0.792 512 K CB 1.594 34.044 32.500 -0.083 0.000 1.185 512 K HN 0.753 nan 8.250 nan 0.000 0.425 513 K N 5.548 125.891 120.400 -0.095 0.000 2.323 513 K HA 0.357 4.677 4.320 -0.000 0.000 0.259 513 K C -1.519 175.065 176.600 -0.027 0.000 0.947 513 K CA -0.763 55.488 56.287 -0.059 0.000 0.819 513 K CB 1.180 33.630 32.500 -0.083 0.000 1.109 513 K HN 0.557 nan 8.250 nan 0.000 0.429 514 L N 4.463 125.685 121.223 -0.003 0.000 2.319 514 L HA 0.480 4.820 4.340 -0.000 0.000 0.281 514 L C -1.356 175.536 176.870 0.036 0.000 1.005 514 L CA -0.149 54.715 54.840 0.041 0.000 0.828 514 L CB 1.330 43.464 42.059 0.125 0.000 1.227 514 L HN 0.904 nan 8.230 nan 0.000 0.415 515 D N 3.209 123.472 120.400 -0.227 0.000 2.946 515 D HA 0.531 5.171 4.640 -0.000 0.000 0.337 515 D C -1.538 174.422 176.300 -0.567 0.000 1.332 515 D CA 0.045 53.831 54.000 -0.358 0.000 0.935 515 D CB 1.976 42.520 40.800 -0.427 0.000 1.440 515 D HN 0.257 nan 8.370 nan 0.000 0.540 516 F N -0.288 119.293 119.950 -0.614 0.000 2.662 516 F HA 0.721 5.248 4.527 -0.000 0.000 0.312 516 F C -0.957 174.880 175.800 0.062 0.000 1.113 516 F CA -1.066 56.690 58.000 -0.407 0.000 0.951 516 F CB 0.809 39.098 39.000 -1.184 0.000 1.344 516 F HN 0.325 nan 8.300 nan 0.000 0.462 517 I N -0.172 120.655 120.570 0.429 0.000 3.067 517 I HA 0.726 4.896 4.170 -0.000 0.000 0.312 517 I C -1.375 174.988 176.117 0.411 0.000 1.073 517 I CA -1.343 60.144 61.300 0.312 0.000 1.016 517 I CB 2.498 40.673 38.000 0.291 0.000 1.227 517 I HN 0.647 nan 8.210 nan 0.000 0.456 518 I N 3.725 124.468 120.570 0.288 0.000 2.382 518 I HA 0.385 4.555 4.170 -0.000 0.000 0.286 518 I C -0.873 175.395 176.117 0.251 0.000 1.002 518 I CA -0.446 61.025 61.300 0.284 0.000 1.135 518 I CB 1.682 39.806 38.000 0.207 0.000 1.288 518 I HN 0.365 nan 8.210 nan 0.000 0.448 519 L N 7.264 128.706 121.223 0.364 0.000 2.287 519 L HA 0.348 4.688 4.340 -0.000 0.000 0.287 519 L C 0.313 177.322 176.870 0.231 0.000 1.022 519 L CA -0.802 54.193 54.840 0.258 0.000 0.814 519 L CB 1.109 43.295 42.059 0.211 0.000 1.217 519 L HN 0.769 nan 8.230 nan 0.000 0.420 520 N N 4.500 123.273 118.700 0.123 0.000 2.777 520 N HA -0.295 4.445 4.740 -0.000 0.000 0.290 520 N C 0.022 175.590 175.510 0.098 0.000 1.040 520 N CA 1.076 54.178 53.050 0.087 0.000 0.819 520 N CB -0.534 37.985 38.487 0.053 0.000 0.952 520 N HN 0.946 nan 8.380 nan 0.000 0.584 521 E N -3.728 116.526 120.200 0.089 0.000 4.153 521 E HA -0.162 4.188 4.350 -0.000 0.000 0.376 521 E C -0.522 176.108 176.600 0.050 0.000 0.598 521 E CA 1.652 58.090 56.400 0.063 0.000 1.343 521 E CB -1.555 28.170 29.700 0.042 0.000 1.793 521 E HN 0.794 nan 8.360 nan 0.000 0.392 522 T N 1.572 116.178 114.554 0.086 0.000 2.887 522 T HA 0.418 4.768 4.350 -0.000 0.000 0.288 522 T C -0.243 174.395 174.700 -0.103 0.000 1.021 522 T CA -0.970 61.094 62.100 -0.059 0.000 1.000 522 T CB 2.158 70.928 68.868 -0.163 0.000 1.034 522 T HN 0.083 nan 8.240 nan 0.000 0.467 523 K N 1.968 122.192 120.400 -0.293 0.000 2.201 523 K HA 0.527 4.847 4.320 -0.000 0.000 0.278 523 K C -1.436 174.889 176.600 -0.458 0.000 1.027 523 K CA -0.467 55.663 56.287 -0.262 0.000 0.909 523 K CB 0.699 32.812 32.500 -0.646 0.000 1.062 523 K HN 0.418 nan 8.250 nan 0.000 0.465 524 F N 1.895 121.910 119.950 0.109 0.000 2.477 524 F HA 0.317 4.844 4.527 -0.000 0.000 0.335 524 F C -0.597 175.301 175.800 0.164 0.000 1.130 524 F CA -0.802 57.262 58.000 0.107 0.000 0.948 524 F CB 1.031 40.085 39.000 0.091 0.000 1.154 524 F HN 0.524 nan 8.300 nan 0.000 0.439 525 W N 3.672 125.082 121.300 0.184 0.000 2.237 525 W HA 0.480 5.140 4.660 -0.000 0.000 0.335 525 W C -0.492 176.204 176.519 0.295 0.000 1.230 525 W CA -0.440 57.043 57.345 0.230 0.000 1.253 525 W CB 0.401 29.930 29.460 0.115 0.000 1.129 525 W HN 0.455 nan 8.180 nan 0.000 0.590 526 Y N -0.740 119.902 120.300 0.570 0.000 2.625 526 Y HA 0.632 5.182 4.550 -0.000 0.000 0.338 526 Y C -1.110 175.030 175.900 0.400 0.000 1.123 526 Y CA -1.970 56.460 58.100 0.549 0.000 1.046 526 Y CB 1.043 39.998 38.460 0.825 0.000 1.299 526 Y HN 0.566 nan 8.280 nan 0.000 0.464 527 Q N 2.142 122.227 119.800 0.474 0.000 2.421 527 Q HA 0.793 5.133 4.340 -0.000 0.000 0.280 527 Q C -1.821 174.314 176.000 0.225 0.000 1.085 527 Q CA -1.170 54.777 55.803 0.240 0.000 0.807 527 Q CB 3.414 32.243 28.738 0.151 0.000 1.405 527 Q HN 0.840 nan 8.270 nan 0.000 0.419 528 M N 2.368 122.012 119.600 0.073 0.000 2.326 528 M HA 0.454 4.934 4.480 -0.000 0.000 0.292 528 M C -1.259 174.947 176.300 -0.158 0.000 1.081 528 M CA -0.962 54.292 55.300 -0.077 0.000 0.919 528 M CB 2.286 34.776 32.600 -0.184 0.000 1.634 528 M HN 0.600 nan 8.290 nan 0.000 0.451 529 I N 4.859 125.326 120.570 -0.171 0.000 2.297 529 I HA 0.368 4.538 4.170 -0.000 0.000 0.291 529 I C -0.414 175.521 176.117 -0.304 0.000 1.033 529 I CA -0.302 60.875 61.300 -0.204 0.000 1.253 529 I CB 0.296 38.200 38.000 -0.160 0.000 1.396 529 I HN 0.637 nan 8.210 nan 0.000 0.476 530 L N 8.372 129.363 121.223 -0.387 0.000 2.307 530 L HA 0.438 4.777 4.340 -0.000 0.000 0.282 530 L C -2.173 174.481 176.870 -0.360 0.000 1.051 530 L CA -1.789 52.717 54.840 -0.557 0.000 0.804 530 L CB 1.114 42.656 42.059 -0.862 0.000 1.197 530 L HN 0.253 nan 8.230 nan 0.000 0.431 531 P HA 0.066 nan 4.420 nan 0.000 0.268 531 P C -2.464 174.778 177.300 -0.096 0.000 1.208 531 P CA -0.770 62.250 63.100 -0.134 0.000 0.777 531 P CB -0.072 31.620 31.700 -0.014 0.000 0.875 532 P HA -0.001 nan 4.420 nan 0.000 0.267 532 P C -0.552 176.622 177.300 -0.211 0.000 1.200 532 P CA 0.440 63.363 63.100 -0.296 0.000 0.772 532 P CB -0.267 31.155 31.700 -0.464 0.000 0.855 533 H N -1.641 117.471 119.070 0.070 0.000 2.770 533 H HA -0.221 4.335 4.556 -0.000 0.000 0.309 533 H C -0.056 175.344 175.328 0.120 0.000 1.206 533 H CA -0.480 55.614 56.048 0.076 0.000 1.147 533 H CB -2.239 27.557 29.762 0.057 0.000 1.422 533 H HN 0.313 nan 8.280 nan 0.000 0.420 534 F N 2.458 122.416 119.950 0.013 0.000 2.612 534 F HA 0.081 4.608 4.527 -0.000 0.000 0.389 534 F C 0.557 176.377 175.800 0.033 0.000 1.055 534 F CA -0.126 57.839 58.000 -0.059 0.000 1.232 534 F CB 0.495 39.343 39.000 -0.253 0.000 1.044 534 F HN 0.277 nan 8.300 nan 0.000 0.560 535 D N 6.122 126.227 120.400 -0.492 0.000 2.454 535 D HA 0.124 4.764 4.640 -0.000 0.000 0.247 535 D C 0.531 176.466 176.300 -0.609 0.000 1.129 535 D CA -0.576 53.189 54.000 -0.393 0.000 0.877 535 D CB 0.998 41.724 40.800 -0.123 0.000 1.082 535 D HN 0.691 nan 8.370 nan 0.000 0.537 536 K N 0.996 121.011 120.400 -0.642 0.000 2.585 536 K HA -0.111 4.209 4.320 -0.000 0.000 0.194 536 K C 1.100 177.699 176.600 -0.001 0.000 1.037 536 K CA 1.038 57.141 56.287 -0.306 0.000 0.964 536 K CB -0.079 32.418 32.500 -0.004 0.000 0.787 536 K HN 0.179 nan 8.250 nan 0.000 0.488 537 S N -0.323 115.341 115.700 -0.060 0.000 2.535 537 S HA 0.077 4.547 4.470 -0.000 0.000 0.214 537 S C 0.546 175.126 174.600 -0.034 0.000 0.980 537 S CA -0.483 57.705 58.200 -0.020 0.000 0.907 537 S CB 0.080 63.258 63.200 -0.038 0.000 0.790 537 S HN 0.297 nan 8.310 nan 0.000 0.510 538 K N 1.473 121.835 120.400 -0.063 0.000 2.087 538 K HA 0.352 4.672 4.320 -0.000 0.000 0.255 538 K C -0.821 175.728 176.600 -0.085 0.000 0.988 538 K CA -0.577 55.610 56.287 -0.166 0.000 0.915 538 K CB 0.673 32.943 32.500 -0.384 0.000 1.043 538 K HN 0.059 nan 8.250 nan 0.000 0.457 539 K N 3.315 123.612 120.400 -0.171 0.000 2.334 539 K HA 0.194 4.514 4.320 -0.000 0.000 0.265 539 K C -1.279 175.253 176.600 -0.113 0.000 1.039 539 K CA -0.502 55.763 56.287 -0.036 0.000 0.920 539 K CB 0.761 33.233 32.500 -0.046 0.000 1.160 539 K HN 0.387 nan 8.250 nan 0.000 0.451 540 Y N 2.977 123.303 120.300 0.043 0.000 2.376 540 Y HA 0.249 4.799 4.550 -0.000 0.000 0.325 540 Y C -1.833 174.003 175.900 -0.106 0.000 1.199 540 Y CA -2.613 55.483 58.100 -0.008 0.000 1.206 540 Y CB 0.334 38.842 38.460 0.079 0.000 1.229 540 Y HN 0.466 nan 8.280 nan 0.000 0.480 541 P HA 0.222 nan 4.420 nan 0.000 0.274 541 P C -1.143 175.988 177.300 -0.282 0.000 1.231 541 P CA -0.263 62.538 63.100 -0.498 0.000 0.790 541 P CB 1.690 32.718 31.700 -1.120 0.000 0.951 542 L N 2.353 123.455 121.223 -0.202 0.000 2.386 542 L HA 0.525 4.865 4.340 -0.000 0.000 0.271 542 L C -1.168 175.884 176.870 0.304 0.000 0.993 542 L CA -1.032 53.848 54.840 0.066 0.000 0.819 542 L CB 1.723 43.842 42.059 0.099 0.000 1.294 542 L HN 0.256 nan 8.230 nan 0.000 0.414 543 L N 5.636 127.053 121.223 0.323 0.000 2.298 543 L HA 0.419 4.759 4.340 -0.000 0.000 0.284 543 L C -1.180 175.925 176.870 0.392 0.000 1.013 543 L CA -0.886 54.206 54.840 0.421 0.000 0.824 543 L CB 1.735 43.991 42.059 0.328 0.000 1.221 543 L HN 0.593 nan 8.230 nan 0.000 0.418 544 L N 5.331 126.834 121.223 0.467 0.000 2.283 544 L HA 0.301 4.641 4.340 -0.000 0.000 0.287 544 L C -0.208 176.911 176.870 0.415 0.000 1.073 544 L CA 0.157 55.262 54.840 0.441 0.000 0.822 544 L CB 0.702 43.057 42.059 0.494 0.000 1.186 544 L HN 0.470 nan 8.230 nan 0.000 0.436 545 D N 4.517 125.139 120.400 0.370 0.000 2.347 545 D HA 0.248 4.888 4.640 -0.000 0.000 0.235 545 D C -0.980 175.412 176.300 0.155 0.000 1.149 545 D CA 0.102 54.249 54.000 0.245 0.000 0.850 545 D CB 1.249 42.254 40.800 0.342 0.000 1.061 545 D HN 0.347 nan 8.370 nan 0.000 0.487 546 V N 5.357 125.291 119.914 0.033 0.000 2.914 546 V HA 0.464 4.584 4.120 -0.000 0.000 0.314 546 V C -1.021 175.166 176.094 0.156 0.000 1.084 546 V CA -0.449 61.932 62.300 0.135 0.000 0.963 546 V CB 1.914 33.824 31.823 0.144 0.000 1.025 546 V HN 0.644 nan 8.190 nan 0.000 0.432 547 Y N 4.572 124.946 120.300 0.124 0.000 3.266 547 Y HA 0.570 5.120 4.550 -0.000 0.000 0.189 547 Y C 1.508 177.546 175.900 0.230 0.000 0.895 547 Y CA 1.450 59.649 58.100 0.165 0.000 1.706 547 Y CB 0.083 38.620 38.460 0.127 0.000 1.449 547 Y HN 1.183 nan 8.280 nan 0.000 0.391 548 A N 0.819 123.764 122.820 0.208 0.000 2.861 548 A HA -0.159 4.161 4.320 -0.000 0.000 0.261 548 A C 0.980 178.387 177.584 -0.294 0.000 1.351 548 A CA 1.002 53.089 52.037 0.082 0.000 0.904 548 A CB -2.485 16.624 19.000 0.181 0.000 1.076 548 A HN 1.014 nan 8.150 nan 0.000 0.729 549 G N -0.301 108.045 108.800 -0.756 0.000 2.569 549 G HA2 0.480 4.440 3.960 -0.000 0.000 0.249 549 G HA3 0.480 4.440 3.960 -0.000 0.000 0.249 549 G C -1.771 172.807 174.900 -0.537 0.000 1.216 549 G CA -0.558 43.664 45.100 -1.462 0.000 0.845 549 G HN 0.412 nan 8.290 nan 0.000 0.568 550 P HA -0.031 nan 4.420 nan 0.000 0.262 550 P C 0.720 177.892 177.300 -0.214 0.000 1.182 550 P CA 0.299 63.139 63.100 -0.432 0.000 0.761 550 P CB 0.694 31.783 31.700 -1.019 0.000 0.795 551 C N 2.212 121.447 119.300 -0.108 0.000 4.392 551 C HA -0.152 4.308 4.460 -0.000 0.000 0.280 551 C C 1.096 176.084 174.990 -0.003 0.000 1.381 551 C CA 1.186 60.100 59.018 -0.174 0.000 1.871 551 C CB -2.603 24.879 27.740 -0.431 0.000 1.323 551 C HN 0.837 nan 8.230 nan 0.000 0.772 552 S N 0.010 115.791 115.700 0.136 0.000 2.632 552 S HA 0.587 5.057 4.470 -0.000 0.000 0.267 552 S C -0.628 174.129 174.600 0.261 0.000 1.276 552 S CA 0.130 58.499 58.200 0.281 0.000 0.998 552 S CB 1.643 65.096 63.200 0.421 0.000 0.953 552 S HN 0.820 nan 8.310 nan 0.000 0.547 553 Q N -0.023 119.956 119.800 0.297 0.000 2.309 553 Q HA 0.357 4.697 4.340 -0.000 0.000 0.254 553 Q C -0.763 175.363 176.000 0.209 0.000 0.938 553 Q CA -0.602 55.367 55.803 0.277 0.000 0.789 553 Q CB 1.047 30.008 28.738 0.371 0.000 1.313 553 Q HN 0.685 nan 8.270 nan 0.000 0.438 554 K N 1.118 121.641 120.400 0.204 0.000 2.358 554 K HA 0.346 4.666 4.320 -0.000 0.000 0.200 554 K C -0.512 176.197 176.600 0.183 0.000 1.030 554 K CA 0.224 56.623 56.287 0.186 0.000 1.097 554 K CB 1.550 34.187 32.500 0.229 0.000 0.862 554 K HN 0.491 nan 8.250 nan 0.000 0.534 555 A N 2.595 125.527 122.820 0.188 0.000 2.293 555 A HA 0.465 4.785 4.320 -0.000 0.000 0.312 555 A C -0.846 176.808 177.584 0.117 0.000 1.309 555 A CA -0.563 51.587 52.037 0.188 0.000 0.839 555 A CB 0.283 19.451 19.000 0.279 0.000 1.155 555 A HN 0.231 nan 8.150 nan 0.000 0.501 556 D N -0.080 120.367 120.400 0.078 0.000 2.752 556 D HA 0.442 5.082 4.640 -0.000 0.000 0.313 556 D C 0.328 176.648 176.300 0.032 0.000 1.225 556 D CA 0.277 54.311 54.000 0.057 0.000 0.976 556 D CB 0.326 41.161 40.800 0.058 0.000 1.443 556 D HN 0.174 nan 8.370 nan 0.000 0.515 557 T N -2.223 112.368 114.554 0.063 0.000 3.223 557 T HA 0.352 4.702 4.350 -0.000 0.000 0.259 557 T C 0.288 174.961 174.700 -0.045 0.000 1.015 557 T CA -0.417 61.712 62.100 0.050 0.000 0.908 557 T CB -0.716 68.228 68.868 0.126 0.000 1.054 557 T HN 0.265 nan 8.240 nan 0.000 0.567 558 V N 2.553 122.340 119.914 -0.213 0.000 2.583 558 V HA 0.352 4.472 4.120 -0.000 0.000 0.287 558 V C 0.064 176.102 176.094 -0.093 0.000 1.051 558 V CA -1.048 61.086 62.300 -0.277 0.000 1.010 558 V CB 0.247 31.788 31.823 -0.470 0.000 0.988 558 V HN 0.585 nan 8.190 nan 0.000 0.478 559 F N 6.561 126.417 119.950 -0.155 0.000 2.438 559 F HA 0.542 5.069 4.527 -0.000 0.000 0.356 559 F C 0.504 176.250 175.800 -0.090 0.000 1.099 559 F CA -0.105 57.830 58.000 -0.108 0.000 1.185 559 F CB 0.198 39.143 39.000 -0.093 0.000 1.115 559 F HN 0.435 nan 8.300 nan 0.000 0.526 560 R N 5.622 125.655 120.500 -0.777 0.000 2.725 560 R HA 0.586 4.926 4.340 -0.000 0.000 0.277 560 R C -1.950 173.945 176.300 -0.674 0.000 0.987 560 R CA -1.256 54.523 56.100 -0.536 0.000 0.901 560 R CB 1.952 32.098 30.300 -0.256 0.000 1.207 560 R HN 0.459 nan 8.270 nan 0.000 0.463 561 L N 3.928 124.937 121.223 -0.356 0.000 2.366 561 L HA 0.355 4.695 4.340 -0.000 0.000 0.266 561 L C -0.784 176.084 176.870 -0.005 0.000 1.010 561 L CA -0.468 54.218 54.840 -0.256 0.000 0.879 561 L CB 0.453 42.484 42.059 -0.045 0.000 1.228 561 L HN 0.758 nan 8.230 nan 0.000 0.439 562 N N 0.177 118.806 118.700 -0.119 0.000 3.550 562 N HA 0.194 4.934 4.740 -0.000 0.000 0.345 562 N C 0.508 175.673 175.510 -0.575 0.000 1.647 562 N CA -0.753 52.139 53.050 -0.265 0.000 0.737 562 N CB -0.068 38.368 38.487 -0.085 0.000 2.178 562 N HN 0.189 nan 8.380 nan 0.000 0.638 563 W N 0.573 121.276 121.300 -0.996 0.000 2.358 563 W HA 0.187 4.847 4.660 0.000 0.000 0.303 563 W C 2.077 178.530 176.519 -0.109 0.000 1.208 563 W CA 2.743 59.727 57.345 -0.602 0.000 1.274 563 W CB -1.016 28.256 29.460 -0.312 0.000 1.138 563 W HN 0.685 nan 8.180 nan 0.000 0.515 564 A N -0.589 122.197 122.820 -0.057 0.000 1.972 564 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 564 A C 1.935 179.406 177.584 -0.189 0.000 1.169 564 A CA 2.412 54.351 52.037 -0.163 0.000 0.635 564 A CB -1.249 17.737 19.000 -0.023 0.000 0.810 564 A HN 0.289 nan 8.150 nan 0.000 0.446 565 T N -1.216 113.247 114.554 -0.152 0.000 2.746 565 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 565 T C 1.809 176.527 174.700 0.031 0.000 1.039 565 T CA 1.744 63.733 62.100 -0.184 0.000 1.142 565 T CB -0.459 68.135 68.868 -0.458 0.000 0.866 565 T HN 0.703 nan 8.240 nan 0.000 0.444 566 Y N 1.966 122.341 120.300 0.125 0.000 2.200 566 Y HA 0.021 4.571 4.550 -0.000 0.000 0.290 566 Y C 1.933 177.811 175.900 -0.037 0.000 1.137 566 Y CA 0.813 59.013 58.100 0.168 0.000 1.163 566 Y CB -0.755 37.789 38.460 0.139 0.000 0.988 566 Y HN 0.115 nan 8.280 nan 0.000 0.518 567 L N 0.216 120.989 121.223 -0.750 0.000 2.042 567 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 567 L C 2.824 179.428 176.870 -0.445 0.000 1.076 567 L CA 1.413 55.758 54.840 -0.826 0.000 0.749 567 L CB -1.023 40.604 42.059 -0.720 0.000 0.893 567 L HN 0.418 nan 8.230 nan 0.000 0.432 568 A N -1.156 121.486 122.820 -0.297 0.000 1.854 568 A HA -0.188 4.132 4.320 -0.000 0.000 0.214 568 A C 2.523 180.021 177.584 -0.144 0.000 1.192 568 A CA 1.783 53.700 52.037 -0.200 0.000 0.611 568 A CB -0.687 18.192 19.000 -0.201 0.000 0.832 568 A HN 0.340 nan 8.150 nan 0.000 0.442 569 S N -1.233 114.401 115.700 -0.111 0.000 2.356 569 S HA -0.123 4.347 4.470 -0.000 0.000 0.223 569 S C 2.003 176.599 174.600 -0.006 0.000 1.032 569 S CA 2.323 60.502 58.200 -0.034 0.000 1.005 569 S CB -0.404 62.835 63.200 0.065 0.000 0.867 569 S HN 0.581 nan 8.310 nan 0.000 0.449 570 T N 1.195 115.730 114.554 -0.030 0.000 2.953 570 T HA 0.169 4.519 4.350 -0.000 0.000 0.247 570 T C 1.414 176.077 174.700 -0.061 0.000 1.029 570 T CA 0.579 62.683 62.100 0.006 0.000 1.144 570 T CB -0.115 68.850 68.868 0.162 0.000 0.870 570 T HN 0.312 nan 8.240 nan 0.000 0.446 571 E N 1.316 121.387 120.200 -0.215 0.000 2.479 571 E HA 0.151 4.501 4.350 -0.000 0.000 0.193 571 E C -0.036 176.534 176.600 -0.050 0.000 1.049 571 E CA -0.057 56.261 56.400 -0.135 0.000 0.870 571 E CB -0.385 29.175 29.700 -0.232 0.000 0.944 571 E HN 0.545 nan 8.360 nan 0.000 0.492 572 N N 0.616 119.292 118.700 -0.039 0.000 2.738 572 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 572 N C -0.878 174.690 175.510 0.095 0.000 1.047 572 N CA 0.208 53.297 53.050 0.065 0.000 0.707 572 N CB -1.177 37.390 38.487 0.133 0.000 0.937 572 N HN 0.199 nan 8.380 nan 0.000 0.545 573 I N 0.843 121.401 120.570 -0.019 0.000 2.441 573 I HA 0.385 4.555 4.170 -0.000 0.000 0.295 573 I C 0.536 176.608 176.117 -0.074 0.000 0.994 573 I CA -0.885 60.408 61.300 -0.011 0.000 1.144 573 I CB 1.499 39.501 38.000 0.003 0.000 1.314 573 I HN 0.025 nan 8.210 nan 0.000 0.445 574 I N 6.200 126.731 120.570 -0.065 0.000 2.371 574 I HA 0.194 4.364 4.170 -0.000 0.000 0.290 574 I C -0.438 175.639 176.117 -0.068 0.000 1.028 574 I CA -0.463 60.748 61.300 -0.148 0.000 1.345 574 I CB 1.148 39.049 38.000 -0.164 0.000 1.407 574 I HN 0.186 nan 8.210 nan 0.000 0.501 575 V N 6.637 126.499 119.914 -0.087 0.000 2.334 575 V HA 0.632 4.752 4.120 -0.000 0.000 0.281 575 V C 0.290 176.392 176.094 0.014 0.000 1.016 575 V CA -0.405 61.901 62.300 0.010 0.000 0.832 575 V CB 1.186 33.010 31.823 0.001 0.000 0.999 575 V HN 0.851 nan 8.190 nan 0.000 0.439 576 A N 3.991 126.853 122.820 0.070 0.000 2.354 576 A HA 0.962 5.282 4.320 -0.000 0.000 0.321 576 A C -0.236 177.509 177.584 0.268 0.000 1.125 576 A CA -0.541 51.538 52.037 0.070 0.000 0.799 576 A CB 1.856 20.714 19.000 -0.238 0.000 1.293 576 A HN 0.671 nan 8.150 nan 0.000 0.452 577 S N -0.335 115.577 115.700 0.354 0.000 2.549 577 S HA 0.741 5.211 4.470 -0.000 0.000 0.280 577 S C -1.536 173.439 174.600 0.626 0.000 1.109 577 S CA -0.287 58.170 58.200 0.428 0.000 0.905 577 S CB 1.313 64.700 63.200 0.311 0.000 1.081 577 S HN 0.752 nan 8.310 nan 0.000 0.477 578 F N 1.896 122.095 119.950 0.416 0.000 2.561 578 F HA 0.464 4.990 4.527 -0.000 0.000 0.313 578 F C -1.428 174.587 175.800 0.358 0.000 1.126 578 F CA -0.758 57.506 58.000 0.440 0.000 0.918 578 F CB 1.461 40.678 39.000 0.363 0.000 1.199 578 F HN 0.390 nan 8.300 nan 0.000 0.444 579 D N 4.769 125.001 120.400 -0.280 0.000 2.467 579 D HA 0.337 4.977 4.640 -0.000 0.000 0.220 579 D C 0.418 176.501 176.300 -0.362 0.000 1.103 579 D CA 0.162 54.078 54.000 -0.140 0.000 0.886 579 D CB 1.381 42.226 40.800 0.076 0.000 1.025 579 D HN 0.759 nan 8.370 nan 0.000 0.514 580 G N 1.304 109.999 108.800 -0.176 0.000 2.630 580 G HA2 0.265 4.225 3.960 -0.000 0.000 0.223 580 G HA3 0.265 4.225 3.960 -0.000 0.000 0.223 580 G C 0.204 175.212 174.900 0.181 0.000 1.434 580 G CA -0.681 44.406 45.100 -0.022 0.000 1.057 580 G HN 0.286 nan 8.290 nan 0.000 0.570 581 R N -0.739 119.840 120.500 0.131 0.000 2.623 581 R HA 0.378 4.718 4.340 -0.000 0.000 0.271 581 R C 1.210 177.619 176.300 0.182 0.000 1.043 581 R CA 1.436 57.660 56.100 0.205 0.000 1.083 581 R CB 0.516 30.896 30.300 0.134 0.000 0.974 581 R HN 1.033 nan 8.270 nan 0.000 0.436 582 G N 1.178 110.073 108.800 0.157 0.000 2.234 582 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.235 582 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.235 582 G C 0.291 175.229 174.900 0.063 0.000 0.997 582 G CA 0.061 45.231 45.100 0.117 0.000 0.623 582 G HN 0.589 nan 8.290 nan 0.000 0.514 583 S N 0.692 116.442 115.700 0.084 0.000 2.576 583 S HA 0.519 4.989 4.470 -0.000 0.000 0.272 583 S C 1.015 175.604 174.600 -0.019 0.000 1.352 583 S CA 0.615 58.854 58.200 0.065 0.000 1.021 583 S CB 0.817 64.086 63.200 0.115 0.000 0.887 583 S HN 1.337 nan 8.310 nan 0.000 0.542 584 G N 0.155 108.907 108.800 -0.080 0.000 2.601 584 G HA2 0.516 4.476 3.960 -0.000 0.000 0.317 584 G HA3 0.516 4.476 3.960 -0.000 0.000 0.317 584 G C -1.093 173.673 174.900 -0.223 0.000 1.246 584 G CA -0.664 44.237 45.100 -0.332 0.000 1.012 584 G HN 0.828 nan 8.290 nan 0.000 0.494 585 Y N -2.323 117.967 120.300 -0.015 0.000 4.604 585 Y HA -0.217 4.333 4.550 -0.000 0.000 0.230 585 Y C 1.395 177.283 175.900 -0.021 0.000 1.066 585 Y CA 1.079 59.172 58.100 -0.013 0.000 1.990 585 Y CB -2.153 36.318 38.460 0.020 0.000 1.619 585 Y HN 0.550 nan 8.280 nan 0.000 0.649 586 Q N -0.135 119.666 119.800 0.001 0.000 2.086 586 Q HA 0.504 4.843 4.340 -0.000 0.000 0.220 586 Q C 0.914 176.782 176.000 -0.219 0.000 0.792 586 Q CA 0.219 56.023 55.803 0.001 0.000 1.062 586 Q CB 1.656 30.389 28.738 -0.007 0.000 1.198 586 Q HN 0.584 nan 8.270 nan 0.000 0.466 587 G N 0.732 109.263 108.800 -0.447 0.000 2.663 587 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 587 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 587 G C -0.527 173.986 174.900 -0.645 0.000 1.246 587 G CA -0.599 43.946 45.100 -0.924 0.000 0.795 587 G HN 0.105 nan 8.290 nan 0.000 0.627 588 D N -0.043 119.938 120.400 -0.697 0.000 2.269 588 D HA -0.039 4.601 4.640 -0.000 0.000 0.208 588 D C 2.175 178.185 176.300 -0.485 0.000 0.963 588 D CA 1.150 54.697 54.000 -0.755 0.000 0.864 588 D CB 0.075 40.337 40.800 -0.896 0.000 0.936 588 D HN 0.590 nan 8.370 nan 0.000 0.505 589 K N 0.521 120.703 120.400 -0.363 0.000 2.103 589 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 589 K C 1.986 178.512 176.600 -0.123 0.000 1.048 589 K CA 0.872 57.042 56.287 -0.194 0.000 0.930 589 K CB 0.013 32.418 32.500 -0.158 0.000 0.716 589 K HN 0.110 nan 8.250 nan 0.000 0.444 590 I N 0.220 120.701 120.570 -0.148 0.000 2.339 590 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 590 I C 2.610 178.719 176.117 -0.013 0.000 1.096 590 I CA 0.710 61.991 61.300 -0.031 0.000 1.408 590 I CB -0.101 37.880 38.000 -0.031 0.000 1.092 590 I HN 0.271 nan 8.210 nan 0.000 0.423 591 M N 0.217 119.741 119.600 -0.126 0.000 2.086 591 M HA -0.242 4.238 4.480 -0.000 0.000 0.261 591 M C 1.915 178.272 176.300 0.094 0.000 1.067 591 M CA 2.019 57.278 55.300 -0.068 0.000 1.116 591 M CB -0.330 32.127 32.600 -0.238 0.000 1.348 591 M HN 0.262 nan 8.290 nan 0.000 0.407 592 H N -0.672 118.306 119.070 -0.155 0.000 2.547 592 H HA 0.160 4.716 4.556 -0.000 0.000 0.266 592 H C 1.829 177.184 175.328 0.044 0.000 0.988 592 H CA 0.074 56.047 56.048 -0.125 0.000 1.147 592 H CB 0.120 29.717 29.762 -0.276 0.000 1.365 592 H HN 0.535 nan 8.280 nan 0.000 0.589 593 A N 1.545 124.475 122.820 0.184 0.000 2.024 593 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 593 A C 1.998 179.792 177.584 0.350 0.000 1.164 593 A CA 1.139 53.301 52.037 0.208 0.000 0.643 593 A CB -0.619 18.465 19.000 0.140 0.000 0.806 593 A HN 0.582 nan 8.150 nan 0.000 0.451 594 I N -3.344 117.406 120.570 0.299 0.000 3.914 594 I HA 0.194 4.364 4.170 -0.000 0.000 0.333 594 I C 0.294 176.501 176.117 0.150 0.000 1.449 594 I CA -0.555 60.878 61.300 0.222 0.000 1.135 594 I CB -0.515 37.587 38.000 0.169 0.000 1.073 594 I HN 0.193 nan 8.210 nan 0.000 0.401 595 N N 2.983 121.812 118.700 0.215 0.000 2.412 595 N HA -0.057 4.683 4.740 -0.000 0.000 0.258 595 N C 0.257 175.797 175.510 0.051 0.000 1.236 595 N CA 0.304 53.475 53.050 0.202 0.000 0.882 595 N CB 0.357 38.927 38.487 0.138 0.000 1.066 595 N HN 0.421 nan 8.380 nan 0.000 0.465 596 R N 0.591 121.098 120.500 0.012 0.000 4.016 596 R HA -0.158 4.182 4.340 -0.000 0.000 0.385 596 R C -0.330 175.844 176.300 -0.209 0.000 1.158 596 R CA 0.887 56.945 56.100 -0.069 0.000 1.117 596 R CB -0.746 29.526 30.300 -0.047 0.000 1.635 596 R HN 0.651 nan 8.270 nan 0.000 0.560 597 R N 0.628 121.004 120.500 -0.206 0.000 2.718 597 R HA 0.282 4.622 4.340 -0.000 0.000 0.307 597 R C -0.260 176.024 176.300 -0.027 0.000 1.244 597 R CA -0.262 55.593 56.100 -0.409 0.000 1.348 597 R CB 0.357 30.387 30.300 -0.450 0.000 1.304 597 R HN 0.109 nan 8.270 nan 0.000 0.663 598 L N -0.155 121.132 121.223 0.107 0.000 2.461 598 L HA 0.190 4.530 4.340 -0.000 0.000 0.272 598 L C 1.362 178.474 176.870 0.404 0.000 1.197 598 L CA 0.834 55.764 54.840 0.151 0.000 0.836 598 L CB 0.451 42.382 42.059 -0.214 0.000 1.105 598 L HN 0.691 nan 8.230 nan 0.000 0.477 599 G N 0.839 109.908 108.800 0.448 0.000 2.136 599 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.242 599 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.242 599 G C 0.415 175.396 174.900 0.136 0.000 0.989 599 G CA 0.540 45.841 45.100 0.335 0.000 0.682 599 G HN 0.845 nan 8.290 nan 0.000 0.522 600 T N -3.491 111.106 114.554 0.072 0.000 2.995 600 T HA 0.490 4.840 4.350 -0.000 0.000 0.170 600 T C 1.638 176.314 174.700 -0.040 0.000 0.844 600 T CA 0.912 62.948 62.100 -0.106 0.000 1.137 600 T CB -0.051 68.559 68.868 -0.430 0.000 2.193 600 T HN 0.162 nan 8.240 nan 0.000 0.384 601 F N 3.445 123.439 119.950 0.073 0.000 2.161 601 F HA 0.055 4.582 4.527 0.000 0.000 0.300 601 F C 2.810 178.650 175.800 0.068 0.000 1.089 601 F CA 1.292 59.325 58.000 0.054 0.000 1.282 601 F CB -0.753 38.276 39.000 0.048 0.000 1.010 601 F HN 0.541 nan 8.300 nan 0.000 0.485 602 E N 0.934 121.298 120.200 0.274 0.000 2.204 602 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 602 E C 2.257 178.971 176.600 0.190 0.000 0.989 602 E CA 1.530 58.066 56.400 0.226 0.000 0.824 602 E CB -1.051 28.783 29.700 0.223 0.000 0.756 602 E HN 0.374 nan 8.360 nan 0.000 0.477 603 V N 0.602 120.601 119.914 0.141 0.000 2.500 603 V HA -0.104 4.016 4.120 -0.000 0.000 0.243 603 V C 1.964 178.096 176.094 0.062 0.000 1.039 603 V CA 1.621 63.958 62.300 0.063 0.000 1.053 603 V CB -0.160 31.645 31.823 -0.031 0.000 0.695 603 V HN 0.119 nan 8.190 nan 0.000 0.463 604 E N 0.141 120.393 120.200 0.088 0.000 2.085 604 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 604 E C 1.867 178.501 176.600 0.057 0.000 0.994 604 E CA 1.762 58.210 56.400 0.080 0.000 0.801 604 E CB -0.191 29.590 29.700 0.136 0.000 0.743 604 E HN 0.631 nan 8.360 nan 0.000 0.453 605 D N 0.223 120.677 120.400 0.089 0.000 2.219 605 D HA -0.119 4.521 4.640 -0.000 0.000 0.205 605 D C 1.899 178.204 176.300 0.008 0.000 0.970 605 D CA 0.703 54.737 54.000 0.057 0.000 0.851 605 D CB -0.039 40.859 40.800 0.163 0.000 0.943 605 D HN 0.102 nan 8.370 nan 0.000 0.488 606 Q N -0.061 119.797 119.800 0.096 0.000 2.172 606 Q HA 0.029 4.369 4.340 -0.000 0.000 0.200 606 Q C 2.473 178.516 176.000 0.072 0.000 0.964 606 Q CA 0.398 56.261 55.803 0.100 0.000 0.855 606 Q CB 0.120 28.940 28.738 0.136 0.000 0.918 606 Q HN 0.425 nan 8.270 nan 0.000 0.444 607 I N 0.639 121.262 120.570 0.089 0.000 2.202 607 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 607 I C 2.346 178.437 176.117 -0.043 0.000 1.091 607 I CA 1.101 62.506 61.300 0.175 0.000 1.368 607 I CB -0.186 37.897 38.000 0.138 0.000 1.058 607 I HN 0.130 nan 8.210 nan 0.000 0.410 608 E N 1.603 121.716 120.200 -0.145 0.000 2.110 608 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 608 E C 2.088 178.394 176.600 -0.489 0.000 0.988 608 E CA 1.597 57.842 56.400 -0.259 0.000 0.804 608 E CB -0.159 29.403 29.700 -0.230 0.000 0.745 608 E HN 0.408 nan 8.360 nan 0.000 0.458 609 A N 0.775 123.154 122.820 -0.735 0.000 1.902 609 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 609 A C 2.452 179.341 177.584 -1.158 0.000 1.181 609 A CA 2.153 53.417 52.037 -1.288 0.000 0.623 609 A CB -1.037 17.027 19.000 -1.560 0.000 0.818 609 A HN 0.383 nan 8.150 nan 0.000 0.443 610 A N -0.316 122.192 122.820 -0.520 0.000 1.933 610 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 610 A C 2.241 179.643 177.584 -0.303 0.000 1.175 610 A CA 1.453 53.336 52.037 -0.256 0.000 0.628 610 A CB -0.443 18.457 19.000 -0.166 0.000 0.814 610 A HN 0.562 nan 8.150 nan 0.000 0.444 611 R N -0.781 119.523 120.500 -0.326 0.000 2.075 611 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 611 R C 2.321 178.458 176.300 -0.271 0.000 1.126 611 R CA 1.346 57.292 56.100 -0.257 0.000 0.963 611 R CB -0.280 29.892 30.300 -0.214 0.000 0.858 611 R HN 0.547 nan 8.270 nan 0.000 0.435 612 Q N -0.157 119.405 119.800 -0.396 0.000 2.119 612 Q HA -0.110 4.230 4.340 -0.000 0.000 0.201 612 Q C 2.014 177.850 176.000 -0.274 0.000 0.972 612 Q CA 1.308 56.892 55.803 -0.365 0.000 0.847 612 Q CB -0.141 28.310 28.738 -0.478 0.000 0.903 612 Q HN 0.272 nan 8.270 nan 0.000 0.433 613 F N 1.381 121.165 119.950 -0.277 0.000 2.113 613 F HA -0.155 4.372 4.527 -0.000 0.000 0.297 613 F C 2.757 178.351 175.800 -0.344 0.000 1.103 613 F CA 1.265 59.088 58.000 -0.296 0.000 1.248 613 F CB -1.387 37.497 39.000 -0.194 0.000 0.999 613 F HN 0.086 nan 8.300 nan 0.000 0.475 614 S N -0.237 115.419 115.700 -0.072 0.000 2.383 614 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 614 S C 1.786 176.272 174.600 -0.190 0.000 1.030 614 S CA 0.946 59.063 58.200 -0.139 0.000 1.002 614 S CB -0.426 62.700 63.200 -0.124 0.000 0.829 614 S HN 0.145 nan 8.310 nan 0.000 0.467 615 K N 1.062 121.355 120.400 -0.178 0.000 2.525 615 K HA 0.283 4.603 4.320 -0.000 0.000 0.192 615 K C 1.506 177.991 176.600 -0.192 0.000 1.029 615 K CA 0.366 56.557 56.287 -0.161 0.000 1.029 615 K CB -0.541 31.881 32.500 -0.131 0.000 0.814 615 K HN 0.562 nan 8.250 nan 0.000 0.503 616 M N -1.020 118.397 119.600 -0.305 0.000 2.619 616 M HA 0.020 4.500 4.480 -0.000 0.000 0.251 616 M C 1.072 177.104 176.300 -0.447 0.000 1.106 616 M CA 0.897 55.965 55.300 -0.386 0.000 1.086 616 M CB 0.098 32.344 32.600 -0.589 0.000 1.465 616 M HN 0.355 nan 8.290 nan 0.000 0.506 617 G N 0.961 109.526 108.800 -0.392 0.000 2.217 617 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.246 617 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.246 617 G C 0.393 175.230 174.900 -0.103 0.000 0.990 617 G CA 0.300 45.276 45.100 -0.205 0.000 0.627 617 G HN 0.582 nan 8.290 nan 0.000 0.522 618 F N 0.370 120.375 119.950 0.092 0.000 2.708 618 F HA 0.779 5.306 4.527 -0.000 0.000 0.300 618 F C 0.080 175.997 175.800 0.196 0.000 1.118 618 F CA -1.598 56.494 58.000 0.153 0.000 1.307 618 F CB 0.033 39.173 39.000 0.234 0.000 0.986 618 F HN 0.080 nan 8.300 nan 0.000 0.522 619 V N 1.191 121.174 119.914 0.116 0.000 2.495 619 V HA 0.247 4.367 4.120 -0.000 0.000 0.298 619 V C -0.768 175.336 176.094 0.017 0.000 1.031 619 V CA -0.785 61.582 62.300 0.111 0.000 0.871 619 V CB 1.811 33.649 31.823 0.025 0.000 0.988 619 V HN 0.098 nan 8.190 nan 0.000 0.432 620 D N 3.972 124.370 120.400 -0.003 0.000 2.352 620 D HA 0.034 4.674 4.640 -0.000 0.000 0.245 620 D C 1.288 177.546 176.300 -0.071 0.000 1.224 620 D CA -0.203 53.764 54.000 -0.056 0.000 0.879 620 D CB 0.699 41.441 40.800 -0.096 0.000 1.057 620 D HN 0.639 nan 8.370 nan 0.000 0.491 621 N N 3.891 122.551 118.700 -0.067 0.000 2.519 621 N HA -0.178 4.562 4.740 -0.000 0.000 0.186 621 N C 0.650 176.122 175.510 -0.063 0.000 1.062 621 N CA 0.725 53.729 53.050 -0.078 0.000 0.910 621 N CB -0.008 38.429 38.487 -0.083 0.000 0.958 621 N HN 0.399 nan 8.380 nan 0.000 0.445 622 K N -0.158 120.213 120.400 -0.048 0.000 2.426 622 K HA 0.164 4.484 4.320 -0.000 0.000 0.193 622 K C 0.232 176.840 176.600 0.013 0.000 1.028 622 K CA 0.172 56.448 56.287 -0.018 0.000 1.047 622 K CB 0.449 32.939 32.500 -0.017 0.000 0.821 622 K HN 0.161 nan 8.250 nan 0.000 0.513 623 R N 1.227 121.709 120.500 -0.030 0.000 2.681 623 R HA 0.349 4.689 4.340 -0.000 0.000 0.277 623 R C -0.966 175.318 176.300 -0.026 0.000 1.563 623 R CA -0.128 55.956 56.100 -0.028 0.000 1.673 623 R CB 0.644 30.746 30.300 -0.329 0.000 1.258 623 R HN -0.014 nan 8.270 nan 0.000 0.650 624 I N 1.183 121.855 120.570 0.170 0.000 2.389 624 I HA 0.547 4.717 4.170 -0.000 0.000 0.288 624 I C 0.020 176.428 176.117 0.485 0.000 0.999 624 I CA -0.742 60.687 61.300 0.216 0.000 1.129 624 I CB 1.886 39.846 38.000 -0.067 0.000 1.288 624 I HN 0.306 nan 8.210 nan 0.000 0.444 625 A N 7.198 130.415 122.820 0.661 0.000 2.387 625 A HA 0.935 5.255 4.320 -0.000 0.000 0.303 625 A C -1.077 176.870 177.584 0.605 0.000 1.145 625 A CA -0.657 51.736 52.037 0.593 0.000 0.801 625 A CB 2.171 21.380 19.000 0.348 0.000 1.342 625 A HN 0.737 nan 8.150 nan 0.000 0.440 626 I N 0.254 121.095 120.570 0.452 0.000 2.752 626 I HA 0.694 4.863 4.170 -0.000 0.000 0.295 626 I C -2.014 174.363 176.117 0.434 0.000 1.219 626 I CA -0.574 60.934 61.300 0.347 0.000 1.030 626 I CB 1.739 39.694 38.000 -0.076 0.000 1.259 626 I HN 0.960 nan 8.210 nan 0.000 0.423 627 W N 6.817 128.249 121.300 0.219 0.000 3.137 627 W HA 0.845 5.505 4.660 -0.000 0.000 0.324 627 W C -1.501 175.172 176.519 0.256 0.000 1.253 627 W CA -0.915 56.571 57.345 0.234 0.000 1.183 627 W CB 1.025 30.672 29.460 0.312 0.000 1.424 627 W HN 0.848 nan 8.180 nan 0.000 0.566 628 G N 0.652 109.391 108.800 -0.102 0.000 2.601 628 G HA2 0.466 4.426 3.960 -0.000 0.000 0.291 628 G HA3 0.466 4.426 3.960 -0.000 0.000 0.291 628 G C -2.814 172.050 174.900 -0.058 0.000 1.456 628 G CA -0.747 44.149 45.100 -0.340 0.000 0.804 628 G HN 0.608 nan 8.290 nan 0.000 0.499 629 W N 1.000 122.193 121.300 -0.179 0.000 2.702 629 W HA 0.581 5.241 4.660 -0.000 0.000 0.331 629 W C 0.866 177.444 176.519 0.099 0.000 1.049 629 W CA 0.393 57.724 57.345 -0.023 0.000 1.230 629 W CB 1.879 31.327 29.460 -0.021 0.000 1.408 629 W HN 1.183 nan 8.180 nan 0.000 0.492 630 S N 2.897 118.854 115.700 0.429 0.000 4.155 630 S HA -0.435 4.035 4.470 -0.000 0.000 0.552 630 S C 1.196 175.878 174.600 0.136 0.000 1.869 630 S CA 2.075 60.500 58.200 0.375 0.000 4.246 630 S CB -1.834 61.751 63.200 0.641 0.000 0.245 630 S HN 0.717 nan 8.310 nan 0.000 0.461 631 Y N 2.566 122.849 120.300 -0.030 0.000 2.224 631 Y HA 0.095 4.645 4.550 0.000 0.000 0.289 631 Y C 2.408 178.238 175.900 -0.118 0.000 1.146 631 Y CA 2.392 60.379 58.100 -0.189 0.000 1.182 631 Y CB -1.012 37.089 38.460 -0.598 0.000 0.983 631 Y HN 0.496 nan 8.280 nan 0.000 0.524 632 G N -1.076 107.772 108.800 0.081 0.000 2.422 632 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 632 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 632 G C 1.897 176.840 174.900 0.072 0.000 1.140 632 G CA 0.708 45.872 45.100 0.106 0.000 0.775 632 G HN 0.564 nan 8.290 nan 0.000 0.545 633 G N -0.217 108.631 108.800 0.080 0.000 2.403 633 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 633 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 633 G C 1.572 176.503 174.900 0.051 0.000 1.154 633 G CA 1.018 46.150 45.100 0.052 0.000 0.784 633 G HN 0.411 nan 8.290 nan 0.000 0.538 634 Y N 1.477 121.685 120.300 -0.153 0.000 2.114 634 Y HA -0.117 4.433 4.550 -0.000 0.000 0.284 634 Y C 2.750 178.564 175.900 -0.143 0.000 1.143 634 Y CA 1.603 59.561 58.100 -0.237 0.000 1.135 634 Y CB -0.517 37.647 38.460 -0.493 0.000 0.980 634 Y HN 0.020 nan 8.280 nan 0.000 0.499 635 V N -0.183 119.618 119.914 -0.188 0.000 2.343 635 V HA -0.333 3.787 4.120 -0.000 0.000 0.247 635 V C 2.330 178.317 176.094 -0.180 0.000 1.051 635 V CA 2.428 64.603 62.300 -0.209 0.000 1.036 635 V CB -1.237 30.614 31.823 0.046 0.000 0.654 635 V HN 0.499 nan 8.190 nan 0.000 0.451 636 T N -0.109 114.396 114.554 -0.082 0.000 2.684 636 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 636 T C 2.142 176.785 174.700 -0.096 0.000 1.036 636 T CA 2.014 64.076 62.100 -0.064 0.000 1.148 636 T CB -0.261 68.652 68.868 0.074 0.000 0.863 636 T HN 0.536 nan 8.240 nan 0.000 0.436 637 S N 1.048 116.723 115.700 -0.042 0.000 2.368 637 S HA -0.011 4.459 4.470 -0.000 0.000 0.224 637 S C 2.138 176.650 174.600 -0.147 0.000 1.029 637 S CA 0.899 59.092 58.200 -0.011 0.000 0.988 637 S CB -0.271 62.975 63.200 0.076 0.000 0.838 637 S HN 0.306 nan 8.310 nan 0.000 0.462 638 M N 1.012 120.441 119.600 -0.284 0.000 2.159 638 M HA -0.032 4.448 4.480 -0.000 0.000 0.263 638 M C 2.215 178.354 176.300 -0.268 0.000 1.063 638 M CA 1.078 56.189 55.300 -0.315 0.000 1.110 638 M CB -1.452 30.852 32.600 -0.495 0.000 1.374 638 M HN 0.174 nan 8.290 nan 0.000 0.411 639 V N 0.607 120.353 119.914 -0.281 0.000 2.307 639 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 639 V C 2.511 178.404 176.094 -0.334 0.000 1.045 639 V CA 1.413 63.539 62.300 -0.291 0.000 1.024 639 V CB -0.636 30.931 31.823 -0.425 0.000 0.651 639 V HN 0.404 nan 8.190 nan 0.000 0.449 640 L N 0.394 121.358 121.223 -0.433 0.000 2.191 640 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 640 L C 2.168 178.495 176.870 -0.906 0.000 1.103 640 L CA 1.451 55.941 54.840 -0.584 0.000 0.769 640 L CB -0.705 40.970 42.059 -0.639 0.000 0.908 640 L HN 0.492 nan 8.230 nan 0.000 0.438 641 G N -1.399 106.899 108.800 -0.837 0.000 3.284 641 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.236 641 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.236 641 G C 1.461 176.200 174.900 -0.267 0.000 1.158 641 G CA 0.553 45.266 45.100 -0.645 0.000 0.774 641 G HN 0.419 nan 8.290 nan 0.000 0.545 642 S N -0.657 114.907 115.700 -0.227 0.000 2.470 642 S HA 0.292 4.762 4.470 -0.000 0.000 0.225 642 S C 1.941 176.495 174.600 -0.076 0.000 1.006 642 S CA 1.038 59.169 58.200 -0.114 0.000 0.934 642 S CB -0.115 63.036 63.200 -0.080 0.000 0.778 642 S HN 1.361 nan 8.310 nan 0.000 0.517 643 G N 1.412 110.158 108.800 -0.091 0.000 2.147 643 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.244 643 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.244 643 G C 0.906 175.795 174.900 -0.019 0.000 1.005 643 G CA 0.882 45.952 45.100 -0.051 0.000 0.713 643 G HN 1.277 nan 8.290 nan 0.000 0.515 644 S N -0.741 114.960 115.700 0.002 0.000 2.453 644 S HA 0.308 4.778 4.470 -0.000 0.000 0.231 644 S C 2.512 177.118 174.600 0.010 0.000 1.005 644 S CA 1.553 59.765 58.200 0.021 0.000 0.949 644 S CB -0.202 63.039 63.200 0.069 0.000 0.774 644 S HN 2.390 nan 8.310 nan 0.000 0.510 645 G N 0.128 108.940 108.800 0.020 0.000 2.168 645 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.263 645 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.263 645 G C 0.726 175.610 174.900 -0.027 0.000 0.977 645 G CA 0.452 45.554 45.100 0.004 0.000 0.659 645 G HN 0.678 nan 8.290 nan 0.000 0.533 646 V N -0.688 119.195 119.914 -0.051 0.000 2.535 646 V HA 0.278 4.398 4.120 -0.000 0.000 0.246 646 V C 1.183 177.023 176.094 -0.422 0.000 1.045 646 V CA 1.413 63.544 62.300 -0.281 0.000 1.058 646 V CB -0.325 31.223 31.823 -0.458 0.000 0.689 646 V HN 0.295 nan 8.190 nan 0.000 0.461 647 F N 0.053 120.018 119.950 0.025 0.000 2.420 647 F HA 0.412 4.939 4.527 -0.000 0.000 0.342 647 F C 1.098 176.942 175.800 0.073 0.000 1.113 647 F CA -0.612 57.429 58.000 0.069 0.000 1.059 647 F CB 1.366 40.409 39.000 0.072 0.000 1.128 647 F HN -0.240 nan 8.300 nan 0.000 0.475 648 K N 1.606 122.163 120.400 0.261 0.000 2.137 648 K HA 0.100 4.420 4.320 -0.000 0.000 0.202 648 K C -0.091 176.635 176.600 0.211 0.000 1.052 648 K CA 0.922 57.327 56.287 0.197 0.000 0.961 648 K CB 0.251 32.866 32.500 0.191 0.000 0.741 648 K HN 0.809 nan 8.250 nan 0.000 0.452 649 c N -2.755 116.007 118.600 0.271 0.000 3.318 649 c HA 0.902 5.472 4.570 -0.000 0.000 0.322 649 c C -0.239 174.078 174.090 0.378 0.000 1.398 649 c CA -0.617 55.893 56.329 0.302 0.000 1.339 649 c CB 1.118 43.722 42.510 0.157 0.000 1.668 649 c HN 0.348 nan 8.230 nan 0.000 0.462 650 G N -0.023 109.072 108.800 0.491 0.000 2.673 650 G HA2 0.708 4.668 3.960 -0.000 0.000 0.292 650 G HA3 0.708 4.668 3.960 -0.000 0.000 0.292 650 G C -2.007 173.128 174.900 0.391 0.000 1.450 650 G CA -0.687 44.670 45.100 0.429 0.000 0.837 650 G HN 1.006 nan 8.290 nan 0.000 0.505 651 I N 0.793 121.559 120.570 0.327 0.000 2.447 651 I HA 0.602 4.772 4.170 -0.000 0.000 0.287 651 I C 0.150 176.395 176.117 0.213 0.000 1.023 651 I CA -0.961 60.414 61.300 0.124 0.000 1.083 651 I CB 2.227 40.275 38.000 0.081 0.000 1.245 651 I HN 0.651 nan 8.210 nan 0.000 0.434 652 A N 6.619 129.466 122.820 0.045 0.000 2.287 652 A HA 0.770 5.090 4.320 -0.000 0.000 0.317 652 A C -0.687 176.816 177.584 -0.135 0.000 1.220 652 A CA -0.503 51.565 52.037 0.050 0.000 0.835 652 A CB 1.034 20.136 19.000 0.168 0.000 1.180 652 A HN 0.446 nan 8.150 nan 0.000 0.500 653 V N 2.157 121.941 119.914 -0.217 0.000 2.398 653 V HA 0.565 4.685 4.120 -0.000 0.000 0.286 653 V C 0.986 176.676 176.094 -0.673 0.000 1.026 653 V CA 0.315 62.261 62.300 -0.590 0.000 0.868 653 V CB 0.841 32.001 31.823 -1.104 0.000 0.982 653 V HN 2.058 nan 8.190 nan 0.000 0.443 654 A N 5.503 127.889 122.820 -0.724 0.000 2.511 654 A HA -0.107 4.213 4.320 -0.000 0.000 0.297 654 A C -1.671 175.744 177.584 -0.282 0.000 1.476 654 A CA 0.503 52.031 52.037 -0.848 0.000 0.757 654 A CB -1.572 17.087 19.000 -0.569 0.000 1.072 654 A HN 0.632 nan 8.150 nan 0.000 0.413 655 P HA 0.427 nan 4.420 nan 0.000 0.277 655 P C 0.139 177.393 177.300 -0.077 0.000 1.240 655 P CA -0.202 62.862 63.100 -0.060 0.000 0.798 655 P CB 1.406 33.100 31.700 -0.009 0.000 0.979 656 V N 2.360 122.141 119.914 -0.222 0.000 2.649 656 V HA 0.087 4.207 4.120 -0.000 0.000 0.292 656 V C 1.742 177.644 176.094 -0.320 0.000 1.055 656 V CA 0.865 62.897 62.300 -0.446 0.000 1.023 656 V CB 0.875 32.046 31.823 -1.086 0.000 0.992 656 V HN 0.835 nan 8.190 nan 0.000 0.480 657 S N 3.716 119.263 115.700 -0.255 0.000 2.554 657 S HA 0.262 4.732 4.470 -0.000 0.000 0.227 657 S C 0.409 174.845 174.600 -0.273 0.000 1.050 657 S CA -0.376 57.743 58.200 -0.135 0.000 0.927 657 S CB 0.327 63.515 63.200 -0.021 0.000 0.859 657 S HN 0.860 nan 8.310 nan 0.000 0.494 658 R N -1.333 118.871 120.500 -0.492 0.000 2.563 658 R HA 0.426 4.766 4.340 -0.000 0.000 0.262 658 R C -0.930 175.023 176.300 -0.578 0.000 1.128 658 R CA -0.898 54.858 56.100 -0.575 0.000 0.969 658 R CB -0.345 29.605 30.300 -0.582 0.000 1.251 658 R HN 0.116 nan 8.270 nan 0.000 0.442 659 W N 1.470 122.685 121.300 -0.143 0.000 2.364 659 W HA -0.075 4.585 4.660 0.000 0.000 0.281 659 W C 1.108 177.763 176.519 0.226 0.000 1.219 659 W CA 1.134 58.498 57.345 0.032 0.000 1.220 659 W CB 0.138 29.557 29.460 -0.068 0.000 1.127 659 W HN 0.713 nan 8.180 nan 0.000 0.556 660 E N -0.991 119.378 120.200 0.282 0.000 2.409 660 E HA -0.185 4.165 4.350 -0.000 0.000 0.198 660 E C 1.248 177.992 176.600 0.240 0.000 1.024 660 E CA 0.710 57.213 56.400 0.172 0.000 0.861 660 E CB -0.236 29.454 29.700 -0.017 0.000 0.788 660 E HN 0.385 nan 8.360 nan 0.000 0.521 661 Y N -1.420 118.965 120.300 0.141 0.000 2.510 661 Y HA 0.065 4.615 4.550 0.000 0.000 0.273 661 Y C 0.766 176.757 175.900 0.151 0.000 1.119 661 Y CA -0.335 57.818 58.100 0.089 0.000 1.286 661 Y CB -0.346 38.112 38.460 -0.004 0.000 1.061 661 Y HN 0.018 nan 8.280 nan 0.000 0.542 662 Y N 1.924 122.376 120.300 0.253 0.000 2.408 662 Y HA 0.289 4.839 4.550 -0.000 0.000 0.324 662 Y C 0.278 176.400 175.900 0.370 0.000 1.302 662 Y CA -2.087 56.172 58.100 0.265 0.000 1.384 662 Y CB 0.334 38.973 38.460 0.299 0.000 1.367 662 Y HN 0.181 nan 8.280 nan 0.000 0.525 663 D N -0.465 119.622 120.400 -0.522 0.000 2.382 663 D HA 0.079 4.719 4.640 -0.000 0.000 0.240 663 D C 0.964 177.240 176.300 -0.040 0.000 1.146 663 D CA 0.416 54.196 54.000 -0.367 0.000 0.897 663 D CB 0.876 41.235 40.800 -0.736 0.000 1.197 663 D HN 0.493 nan 8.370 nan 0.000 0.432 664 S N 1.327 117.018 115.700 -0.014 0.000 2.353 664 S HA -0.236 4.234 4.470 -0.000 0.000 0.222 664 S C 1.941 176.571 174.600 0.050 0.000 1.035 664 S CA 1.208 59.452 58.200 0.073 0.000 1.025 664 S CB -1.045 62.206 63.200 0.084 0.000 0.902 664 S HN 0.434 nan 8.310 nan 0.000 0.440 665 V N 0.822 120.702 119.914 -0.057 0.000 2.287 665 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 665 V C 2.312 178.326 176.094 -0.132 0.000 1.053 665 V CA 2.315 64.492 62.300 -0.205 0.000 1.027 665 V CB -1.070 30.475 31.823 -0.463 0.000 0.646 665 V HN 0.626 nan 8.190 nan 0.000 0.447 666 Y N 1.165 121.416 120.300 -0.081 0.000 2.176 666 Y HA -0.179 4.371 4.550 -0.000 0.000 0.291 666 Y C 2.725 178.647 175.900 0.038 0.000 1.122 666 Y CA 2.178 60.309 58.100 0.051 0.000 1.128 666 Y CB -0.575 38.111 38.460 0.376 0.000 1.005 666 Y HN 0.210 nan 8.280 nan 0.000 0.509 667 T N 0.477 115.273 114.554 0.403 0.000 2.652 667 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 667 T C 1.577 176.257 174.700 -0.033 0.000 1.039 667 T CA 2.026 64.277 62.100 0.252 0.000 1.153 667 T CB -0.365 68.808 68.868 0.509 0.000 0.863 667 T HN 0.429 nan 8.240 nan 0.000 0.428 668 E N 0.471 120.683 120.200 0.019 0.000 2.204 668 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 668 E C 2.351 178.829 176.600 -0.203 0.000 0.990 668 E CA 0.528 56.925 56.400 -0.006 0.000 0.821 668 E CB -0.133 29.608 29.700 0.068 0.000 0.750 668 E HN 0.319 nan 8.360 nan 0.000 0.477 669 R N -0.118 120.099 120.500 -0.472 0.000 2.127 669 R HA -0.192 4.148 4.340 -0.000 0.000 0.238 669 R C 1.136 176.883 176.300 -0.921 0.000 1.134 669 R CA 1.583 57.206 56.100 -0.795 0.000 0.975 669 R CB 0.039 29.535 30.300 -1.340 0.000 0.865 669 R HN 0.258 nan 8.270 nan 0.000 0.447 670 Y N -2.712 117.283 120.300 -0.508 0.000 2.498 670 Y HA 0.234 4.784 4.550 -0.000 0.000 0.259 670 Y C 1.640 177.356 175.900 -0.306 0.000 1.086 670 Y CA -0.107 57.702 58.100 -0.485 0.000 1.287 670 Y CB 0.425 38.468 38.460 -0.695 0.000 1.146 670 Y HN -0.063 nan 8.280 nan 0.000 0.523 671 M N -0.220 119.270 119.600 -0.183 0.000 2.337 671 M HA 0.371 4.851 4.480 -0.000 0.000 0.256 671 M C 1.081 177.393 176.300 0.020 0.000 1.075 671 M CA 0.824 56.011 55.300 -0.188 0.000 1.024 671 M CB -0.326 31.964 32.600 -0.516 0.000 1.429 671 M HN 0.360 nan 8.290 nan 0.000 0.497 672 G N 1.827 110.657 108.800 0.051 0.000 2.645 672 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.239 672 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.239 672 G C -0.806 174.234 174.900 0.233 0.000 1.331 672 G CA -0.785 44.383 45.100 0.115 0.000 0.890 672 G HN 0.265 nan 8.290 nan 0.000 0.572 673 L N 2.167 123.497 121.223 0.178 0.000 2.343 673 L HA 0.525 4.865 4.340 -0.000 0.000 0.275 673 L C -1.388 175.500 176.870 0.030 0.000 1.056 673 L CA -1.629 53.272 54.840 0.101 0.000 0.804 673 L CB 1.501 43.579 42.059 0.032 0.000 1.203 673 L HN 0.433 nan 8.230 nan 0.000 0.440 674 P HA 0.090 nan 4.420 nan 0.000 0.218 674 P C -0.689 176.482 177.300 -0.215 0.000 1.793 674 P CA -0.168 62.566 63.100 -0.611 0.000 0.941 674 P CB -0.435 30.574 31.700 -1.150 0.000 1.919 675 T N -3.051 111.461 114.554 -0.070 0.000 2.908 675 T HA 0.462 4.812 4.350 -0.000 0.000 0.290 675 T C -2.256 172.450 174.700 0.010 0.000 1.034 675 T CA -2.531 59.552 62.100 -0.029 0.000 1.010 675 T CB 1.912 70.771 68.868 -0.016 0.000 1.068 675 T HN -0.296 nan 8.240 nan 0.000 0.481 676 P HA -0.093 nan 4.420 nan 0.000 0.216 676 P C 0.936 178.253 177.300 0.028 0.000 1.150 676 P CA 1.107 64.220 63.100 0.023 0.000 0.843 676 P CB 0.065 31.774 31.700 0.014 0.000 0.787 677 E N -1.478 118.735 120.200 0.021 0.000 2.347 677 E HA -0.096 4.254 4.350 -0.000 0.000 0.196 677 E C 1.414 178.033 176.600 0.031 0.000 1.008 677 E CA 0.821 57.234 56.400 0.022 0.000 0.852 677 E CB -0.420 29.287 29.700 0.013 0.000 0.783 677 E HN 0.320 nan 8.360 nan 0.000 0.505 678 D N -0.436 119.991 120.400 0.044 0.000 2.931 678 D HA 0.091 4.731 4.640 -0.000 0.000 0.241 678 D C 0.320 176.678 176.300 0.097 0.000 1.494 678 D CA 0.187 54.225 54.000 0.063 0.000 1.260 678 D CB -0.028 40.812 40.800 0.068 0.000 0.953 678 D HN 0.020 nan 8.370 nan 0.000 0.240 679 N N -0.023 118.772 118.700 0.157 0.000 2.305 679 N HA 0.046 4.786 4.740 -0.000 0.000 0.248 679 N C 1.244 176.962 175.510 0.347 0.000 1.290 679 N CA -0.117 53.072 53.050 0.232 0.000 0.873 679 N CB 0.833 39.472 38.487 0.253 0.000 1.261 679 N HN -0.006 nan 8.380 nan 0.000 0.504 680 L N 1.206 122.558 121.223 0.215 0.000 2.043 680 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 680 L C 1.441 178.430 176.870 0.199 0.000 1.075 680 L CA 2.022 56.965 54.840 0.171 0.000 0.752 680 L CB -0.414 41.675 42.059 0.050 0.000 0.891 680 L HN 0.164 nan 8.230 nan 0.000 0.432 681 D N -1.511 118.983 120.400 0.156 0.000 2.123 681 D HA -0.256 4.384 4.640 -0.000 0.000 0.196 681 D C 2.065 178.462 176.300 0.162 0.000 0.992 681 D CA 1.746 55.825 54.000 0.132 0.000 0.833 681 D CB -0.195 40.668 40.800 0.105 0.000 0.954 681 D HN 0.585 nan 8.370 nan 0.000 0.455 682 H N -0.914 118.218 119.070 0.102 0.000 2.470 682 H HA -0.047 4.509 4.556 0.000 0.000 0.289 682 H C 1.680 177.062 175.328 0.089 0.000 1.033 682 H CA 1.092 57.175 56.048 0.058 0.000 1.331 682 H CB -0.262 29.497 29.762 -0.005 0.000 1.414 682 H HN 0.130 nan 8.280 nan 0.000 0.545 683 Y N 0.377 120.672 120.300 -0.008 0.000 2.128 683 Y HA -0.174 4.376 4.550 -0.000 0.000 0.284 683 Y C 2.321 178.186 175.900 -0.059 0.000 1.154 683 Y CA 1.522 59.616 58.100 -0.010 0.000 1.149 683 Y CB 0.130 38.615 38.460 0.043 0.000 0.976 683 Y HN 0.119 nan 8.280 nan 0.000 0.505 684 R N -0.293 120.283 120.500 0.127 0.000 2.189 684 R HA -0.057 4.283 4.340 -0.000 0.000 0.218 684 R C 1.268 177.565 176.300 -0.005 0.000 1.074 684 R CA 0.840 56.967 56.100 0.044 0.000 0.991 684 R CB -0.738 29.589 30.300 0.045 0.000 0.883 684 R HN 0.355 nan 8.270 nan 0.000 0.457 685 N N -0.002 118.675 118.700 -0.038 0.000 2.422 685 N HA -0.051 4.689 4.740 -0.000 0.000 0.181 685 N C 0.311 175.761 175.510 -0.099 0.000 1.080 685 N CA 0.522 53.544 53.050 -0.047 0.000 0.893 685 N CB 0.365 38.861 38.487 0.015 0.000 0.973 685 N HN 0.098 nan 8.380 nan 0.000 0.456 686 S N -1.103 114.489 115.700 -0.180 0.000 2.537 686 S HA 0.145 4.615 4.470 -0.000 0.000 0.246 686 S C 0.389 175.020 174.600 0.052 0.000 1.036 686 S CA -0.757 57.395 58.200 -0.080 0.000 1.041 686 S CB -0.621 62.477 63.200 -0.171 0.000 0.799 686 S HN 0.172 nan 8.310 nan 0.000 0.456 687 T N -1.834 112.714 114.554 -0.011 0.000 2.922 687 T HA 0.533 4.883 4.350 -0.000 0.000 0.285 687 T C 1.252 175.942 174.700 -0.018 0.000 1.005 687 T CA -0.663 61.418 62.100 -0.031 0.000 1.061 687 T CB 1.385 70.206 68.868 -0.080 0.000 1.007 687 T HN -0.039 nan 8.240 nan 0.000 0.502 688 V N 2.382 122.282 119.914 -0.024 0.000 2.379 688 V HA -0.131 3.989 4.120 -0.000 0.000 0.245 688 V C 2.746 178.805 176.094 -0.059 0.000 1.044 688 V CA 1.548 63.825 62.300 -0.038 0.000 1.036 688 V CB -0.822 30.972 31.823 -0.049 0.000 0.664 688 V HN 0.870 nan 8.190 nan 0.000 0.453 689 M N 1.284 120.833 119.600 -0.085 0.000 2.202 689 M HA -0.135 4.345 4.480 -0.000 0.000 0.262 689 M C 2.343 178.609 176.300 -0.057 0.000 1.063 689 M CA 2.253 57.495 55.300 -0.097 0.000 1.097 689 M CB -2.055 30.499 32.600 -0.075 0.000 1.382 689 M HN 0.577 nan 8.290 nan 0.000 0.413 690 S N 0.590 116.270 115.700 -0.034 0.000 2.474 690 S HA -0.050 4.420 4.470 -0.000 0.000 0.235 690 S C 1.799 176.403 174.600 0.005 0.000 0.997 690 S CA 0.562 58.754 58.200 -0.015 0.000 0.949 690 S CB -0.457 62.735 63.200 -0.014 0.000 0.766 690 S HN 0.613 nan 8.310 nan 0.000 0.517 691 R N 0.472 120.988 120.500 0.026 0.000 2.393 691 R HA 0.455 4.795 4.340 -0.000 0.000 0.244 691 R C 2.231 178.637 176.300 0.175 0.000 0.920 691 R CA 0.420 56.566 56.100 0.077 0.000 1.076 691 R CB -0.269 30.079 30.300 0.079 0.000 1.119 691 R HN 0.467 nan 8.270 nan 0.000 0.524 692 A N 1.725 124.590 122.820 0.076 0.000 1.915 692 A HA -0.327 3.993 4.320 -0.000 0.000 0.220 692 A C 2.045 179.714 177.584 0.141 0.000 1.198 692 A CA 2.129 54.180 52.037 0.023 0.000 0.647 692 A CB -0.364 18.580 19.000 -0.093 0.000 0.825 692 A HN 0.314 nan 8.150 nan 0.000 0.456 693 E N 0.445 120.700 120.200 0.091 0.000 2.097 693 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 693 E C 1.672 178.333 176.600 0.101 0.000 1.000 693 E CA 1.982 58.431 56.400 0.082 0.000 0.804 693 E CB -0.570 29.159 29.700 0.048 0.000 0.740 693 E HN 0.795 nan 8.360 nan 0.000 0.454 694 N N -1.173 117.583 118.700 0.093 0.000 2.443 694 N HA -0.112 4.628 4.740 -0.000 0.000 0.184 694 N C 0.816 176.309 175.510 -0.028 0.000 1.037 694 N CA 0.321 53.378 53.050 0.011 0.000 0.896 694 N CB -0.159 38.289 38.487 -0.065 0.000 0.959 694 N HN 0.158 nan 8.380 nan 0.000 0.442 695 F N 1.525 121.434 119.950 -0.068 0.000 2.699 695 F HA 0.019 4.546 4.527 0.000 0.000 0.298 695 F C 1.877 177.684 175.800 0.011 0.000 1.154 695 F CA 0.681 58.639 58.000 -0.070 0.000 1.457 695 F CB 0.013 38.926 39.000 -0.143 0.000 1.106 695 F HN -0.089 nan 8.300 nan 0.000 0.585 696 K N -0.351 120.148 120.400 0.165 0.000 2.280 696 K HA -0.147 4.173 4.320 -0.000 0.000 0.202 696 K C 1.539 178.197 176.600 0.097 0.000 1.047 696 K CA 0.759 57.124 56.287 0.130 0.000 0.942 696 K CB -0.088 32.468 32.500 0.094 0.000 0.739 696 K HN 0.232 nan 8.250 nan 0.000 0.457 697 Q N 0.233 120.068 119.800 0.058 0.000 2.360 697 Q HA 0.043 4.383 4.340 -0.000 0.000 0.202 697 Q C 0.513 176.545 176.000 0.054 0.000 0.915 697 Q CA 0.278 56.105 55.803 0.041 0.000 0.943 697 Q CB 0.596 29.340 28.738 0.009 0.000 1.064 697 Q HN 0.204 nan 8.270 nan 0.000 0.511 698 V N -3.343 116.618 119.914 0.077 0.000 3.160 698 V HA 0.532 4.652 4.120 -0.000 0.000 0.310 698 V C -0.933 175.295 176.094 0.223 0.000 1.181 698 V CA -1.251 61.120 62.300 0.119 0.000 1.047 698 V CB 2.412 34.263 31.823 0.047 0.000 1.068 698 V HN -0.054 nan 8.190 nan 0.000 0.441 699 E N 1.456 121.820 120.200 0.273 0.000 2.115 699 E HA 0.441 4.791 4.350 -0.000 0.000 0.282 699 E C -1.888 175.075 176.600 0.605 0.000 0.987 699 E CA -0.352 56.281 56.400 0.388 0.000 0.797 699 E CB 1.747 31.606 29.700 0.265 0.000 1.086 699 E HN 0.678 nan 8.360 nan 0.000 0.397 700 Y N 3.552 124.109 120.300 0.429 0.000 2.393 700 Y HA 0.429 4.979 4.550 -0.000 0.000 0.341 700 Y C -1.450 174.537 175.900 0.146 0.000 0.988 700 Y CA -1.223 57.075 58.100 0.331 0.000 1.078 700 Y CB 1.016 39.717 38.460 0.400 0.000 1.203 700 Y HN 0.426 nan 8.280 nan 0.000 0.453 701 L N 8.148 129.091 121.223 -0.465 0.000 2.343 701 L HA 0.501 4.841 4.340 -0.000 0.000 0.278 701 L C -1.805 174.614 176.870 -0.752 0.000 0.996 701 L CA -0.789 53.632 54.840 -0.699 0.000 0.831 701 L CB 1.214 42.524 42.059 -1.249 0.000 1.232 701 L HN 0.694 nan 8.230 nan 0.000 0.413 702 L N 6.555 127.432 121.223 -0.577 0.000 2.287 702 L HA 0.577 4.917 4.340 -0.000 0.000 0.287 702 L C -0.885 175.863 176.870 -0.202 0.000 1.022 702 L CA -0.487 54.064 54.840 -0.483 0.000 0.814 702 L CB 1.579 43.413 42.059 -0.375 0.000 1.217 702 L HN 0.611 nan 8.230 nan 0.000 0.420 703 I N 3.971 124.430 120.570 -0.184 0.000 2.545 703 I HA 0.490 4.660 4.170 -0.000 0.000 0.292 703 I C -0.899 175.196 176.117 -0.037 0.000 1.040 703 I CA -0.745 60.507 61.300 -0.080 0.000 1.068 703 I CB 2.024 39.944 38.000 -0.132 0.000 1.251 703 I HN 0.517 nan 8.210 nan 0.000 0.424 704 H N 2.832 121.957 119.070 0.093 0.000 3.085 704 H HA 0.401 4.957 4.556 0.000 0.000 0.356 704 H C -0.775 174.795 175.328 0.403 0.000 1.178 704 H CA -0.581 55.570 56.048 0.171 0.000 1.214 704 H CB 2.462 32.262 29.762 0.063 0.000 1.881 704 H HN 0.760 nan 8.280 nan 0.000 0.538 705 G N 0.953 110.137 108.800 0.639 0.000 2.390 705 G HA2 0.241 4.201 3.960 -0.000 0.000 0.270 705 G HA3 0.241 4.201 3.960 -0.000 0.000 0.270 705 G C 1.084 176.270 174.900 0.477 0.000 1.211 705 G CA 0.199 45.606 45.100 0.512 0.000 0.842 705 G HN 0.648 nan 8.290 nan 0.000 0.519 706 T N -0.802 113.874 114.554 0.203 0.000 3.035 706 T HA 0.117 4.467 4.350 -0.000 0.000 0.268 706 T C 1.653 176.315 174.700 -0.064 0.000 1.109 706 T CA 1.200 63.224 62.100 -0.126 0.000 1.119 706 T CB 0.201 68.915 68.868 -0.257 0.000 0.900 706 T HN 0.678 nan 8.240 nan 0.000 0.503 707 A N 1.026 123.885 122.820 0.066 0.000 2.610 707 A HA 0.317 4.637 4.320 -0.000 0.000 0.286 707 A C 0.372 177.918 177.584 -0.064 0.000 1.306 707 A CA -0.515 51.523 52.037 0.002 0.000 0.942 707 A CB -0.260 19.001 19.000 0.435 0.000 1.112 707 A HN 0.370 nan 8.150 nan 0.000 0.527 708 D N 1.553 121.953 120.400 -0.001 0.000 2.346 708 D HA -0.004 4.636 4.640 -0.000 0.000 0.260 708 D C 0.342 176.643 176.300 0.003 0.000 1.252 708 D CA 0.157 54.270 54.000 0.189 0.000 0.895 708 D CB 0.702 41.784 40.800 0.470 0.000 1.097 708 D HN 0.565 nan 8.370 nan 0.000 0.489 709 D N 2.381 122.838 120.400 0.095 0.000 2.348 709 D HA -0.131 4.509 4.640 -0.000 0.000 0.211 709 D C 0.962 177.283 176.300 0.035 0.000 0.998 709 D CA -0.102 53.903 54.000 0.009 0.000 0.873 709 D CB 0.414 41.170 40.800 -0.074 0.000 0.925 709 D HN 0.210 nan 8.370 nan 0.000 0.524 710 N N 0.960 119.788 118.700 0.213 0.000 2.272 710 N HA -0.053 4.687 4.740 -0.000 0.000 0.195 710 N C -0.031 175.495 175.510 0.026 0.000 1.048 710 N CA 0.581 53.797 53.050 0.277 0.000 0.912 710 N CB 0.218 38.834 38.487 0.215 0.000 1.096 710 N HN -0.108 nan 8.380 nan 0.000 0.471 711 V N 2.886 122.842 119.914 0.069 0.000 2.320 711 V HA 0.204 4.323 4.120 -0.000 0.000 0.265 711 V C -0.462 175.731 176.094 0.165 0.000 1.048 711 V CA -0.424 61.928 62.300 0.088 0.000 0.865 711 V CB -0.378 31.534 31.823 0.149 0.000 1.043 711 V HN 0.308 nan 8.190 nan 0.000 0.474 712 H N 3.273 122.349 119.070 0.010 0.000 2.871 712 H HA -0.010 4.546 4.556 0.000 0.000 0.355 712 H C 0.788 175.962 175.328 -0.256 0.000 1.092 712 H CA -0.128 55.834 56.048 -0.144 0.000 1.420 712 H CB 0.794 30.386 29.762 -0.283 0.000 1.400 712 H HN 0.622 nan 8.280 nan 0.000 0.604 713 F N 1.988 121.695 119.950 -0.406 0.000 2.192 713 F HA -0.296 4.231 4.527 -0.000 0.000 0.301 713 F C 2.587 178.115 175.800 -0.455 0.000 1.079 713 F CA 1.752 59.295 58.000 -0.761 0.000 1.303 713 F CB -0.192 38.557 39.000 -0.418 0.000 1.024 713 F HN 0.662 nan 8.300 nan 0.000 0.494 714 Q N 0.162 119.829 119.800 -0.221 0.000 2.133 714 Q HA -0.311 4.029 4.340 -0.000 0.000 0.208 714 Q C 2.067 177.845 176.000 -0.369 0.000 0.991 714 Q CA 2.255 57.883 55.803 -0.290 0.000 0.867 714 Q CB -0.360 28.173 28.738 -0.341 0.000 0.911 714 Q HN 0.577 nan 8.270 nan 0.000 0.417 715 Q N -0.251 119.378 119.800 -0.285 0.000 2.061 715 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 715 Q C 2.253 178.173 176.000 -0.132 0.000 0.984 715 Q CA 1.797 57.545 55.803 -0.090 0.000 0.846 715 Q CB -0.139 28.619 28.738 0.033 0.000 0.902 715 Q HN 0.342 nan 8.270 nan 0.000 0.421 716 S N 0.576 116.106 115.700 -0.284 0.000 2.414 716 S HA 0.014 4.484 4.470 -0.000 0.000 0.227 716 S C 2.017 176.396 174.600 -0.370 0.000 1.022 716 S CA 0.668 58.691 58.200 -0.295 0.000 0.958 716 S CB -0.057 62.952 63.200 -0.319 0.000 0.797 716 S HN 0.465 nan 8.310 nan 0.000 0.493 717 A N 1.304 123.822 122.820 -0.503 0.000 1.972 717 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 717 A C 2.112 179.609 177.584 -0.145 0.000 1.169 717 A CA 1.116 52.982 52.037 -0.284 0.000 0.635 717 A CB -0.348 18.539 19.000 -0.188 0.000 0.810 717 A HN 0.352 nan 8.150 nan 0.000 0.446 718 Q N -0.566 119.156 119.800 -0.130 0.000 2.187 718 Q HA 0.055 4.395 4.340 -0.000 0.000 0.199 718 Q C 2.096 178.049 176.000 -0.077 0.000 0.957 718 Q CA 0.810 56.586 55.803 -0.045 0.000 0.857 718 Q CB -0.255 28.533 28.738 0.083 0.000 0.929 718 Q HN 0.773 nan 8.270 nan 0.000 0.453 719 I N 1.172 121.669 120.570 -0.122 0.000 2.142 719 I HA -0.285 3.885 4.170 -0.000 0.000 0.240 719 I C 2.544 178.492 176.117 -0.281 0.000 1.078 719 I CA 1.504 62.683 61.300 -0.202 0.000 1.343 719 I CB -0.435 37.453 38.000 -0.187 0.000 1.046 719 I HN 0.187 nan 8.210 nan 0.000 0.405 720 S N 0.945 116.508 115.700 -0.229 0.000 2.370 720 S HA -0.299 4.171 4.470 -0.000 0.000 0.226 720 S C 2.035 176.603 174.600 -0.054 0.000 1.033 720 S CA 1.611 59.707 58.200 -0.174 0.000 1.011 720 S CB -0.508 62.764 63.200 0.120 0.000 0.852 720 S HN 0.369 nan 8.310 nan 0.000 0.457 721 K N 1.691 122.069 120.400 -0.037 0.000 2.097 721 K HA 0.024 4.344 4.320 -0.000 0.000 0.206 721 K C 2.241 178.821 176.600 -0.033 0.000 1.049 721 K CA 1.157 57.439 56.287 -0.007 0.000 0.933 721 K CB -0.651 31.843 32.500 -0.009 0.000 0.717 721 K HN 0.472 nan 8.250 nan 0.000 0.442 722 A N 0.852 123.620 122.820 -0.087 0.000 1.930 722 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 722 A C 2.047 179.560 177.584 -0.119 0.000 1.175 722 A CA 1.065 53.044 52.037 -0.097 0.000 0.627 722 A CB -0.466 18.458 19.000 -0.128 0.000 0.815 722 A HN 0.303 nan 8.150 nan 0.000 0.443 723 L N -0.658 120.442 121.223 -0.206 0.000 2.056 723 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 723 L C 2.502 179.384 176.870 0.021 0.000 1.078 723 L CA 0.910 55.631 54.840 -0.199 0.000 0.749 723 L CB -0.536 41.202 42.059 -0.535 0.000 0.901 723 L HN 0.233 nan 8.230 nan 0.000 0.433 724 V N -0.223 119.744 119.914 0.089 0.000 2.343 724 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 724 V C 1.949 178.084 176.094 0.067 0.000 1.051 724 V CA 1.812 64.191 62.300 0.132 0.000 1.036 724 V CB -0.506 31.395 31.823 0.131 0.000 0.654 724 V HN 0.430 nan 8.190 nan 0.000 0.451 725 D N -0.540 119.880 120.400 0.033 0.000 2.310 725 D HA -0.083 4.557 4.640 -0.000 0.000 0.212 725 D C 1.713 178.027 176.300 0.023 0.000 0.965 725 D CA 0.866 54.880 54.000 0.022 0.000 0.879 725 D CB 0.197 41.001 40.800 0.008 0.000 0.921 725 D HN 0.349 nan 8.370 nan 0.000 0.510 726 V N -0.561 119.367 119.914 0.024 0.000 3.578 726 V HA 0.217 4.337 4.120 -0.000 0.000 0.290 726 V C 1.146 177.271 176.094 0.050 0.000 1.376 726 V CA 0.690 63.008 62.300 0.030 0.000 1.083 726 V CB 0.293 32.127 31.823 0.019 0.000 0.911 726 V HN 0.332 nan 8.190 nan 0.000 0.433 727 G N 0.912 109.750 108.800 0.065 0.000 2.225 727 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.264 727 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.264 727 G C -0.007 174.957 174.900 0.107 0.000 1.060 727 G CA 0.353 45.500 45.100 0.079 0.000 0.833 727 G HN 0.434 nan 8.290 nan 0.000 0.498 728 V N 0.524 120.522 119.914 0.141 0.000 2.370 728 V HA 0.457 4.577 4.120 -0.000 0.000 0.279 728 V C 0.370 176.653 176.094 0.316 0.000 1.029 728 V CA -0.485 61.930 62.300 0.193 0.000 0.870 728 V CB 1.727 33.649 31.823 0.165 0.000 0.984 728 V HN 0.457 nan 8.190 nan 0.000 0.451 729 D N 4.261 124.820 120.400 0.265 0.000 2.302 729 D HA 0.576 5.216 4.640 -0.000 0.000 0.248 729 D C -0.552 175.985 176.300 0.395 0.000 1.094 729 D CA 0.126 54.272 54.000 0.242 0.000 0.897 729 D CB 0.758 41.632 40.800 0.123 0.000 1.200 729 D HN 0.336 nan 8.370 nan 0.000 0.429 730 F N -0.249 119.778 119.950 0.128 0.000 2.789 730 F HA 0.494 5.021 4.527 -0.000 0.000 0.319 730 F C -1.441 174.417 175.800 0.096 0.000 1.168 730 F CA -1.111 56.988 58.000 0.165 0.000 0.934 730 F CB 0.761 39.896 39.000 0.224 0.000 1.375 730 F HN 0.124 nan 8.300 nan 0.000 0.480 731 Q N 1.157 121.021 119.800 0.107 0.000 2.306 731 Q HA 0.814 5.154 4.340 -0.000 0.000 0.265 731 Q C -0.972 175.006 176.000 -0.036 0.000 1.022 731 Q CA -0.960 54.816 55.803 -0.045 0.000 0.853 731 Q CB 2.380 31.139 28.738 0.034 0.000 1.327 731 Q HN 1.043 nan 8.270 nan 0.000 0.449 732 A N 1.815 124.587 122.820 -0.079 0.000 2.527 732 A HA 0.871 5.191 4.320 -0.000 0.000 0.293 732 A C -1.369 176.164 177.584 -0.085 0.000 1.117 732 A CA -0.583 51.443 52.037 -0.018 0.000 0.723 732 A CB 2.059 21.107 19.000 0.080 0.000 1.313 732 A HN 0.621 nan 8.150 nan 0.000 0.411 733 M N 1.098 120.641 119.600 -0.096 0.000 2.298 733 M HA 0.532 5.012 4.480 -0.000 0.000 0.255 733 M C -1.991 174.193 176.300 -0.192 0.000 1.021 733 M CA -0.589 54.514 55.300 -0.328 0.000 0.968 733 M CB 0.968 33.300 32.600 -0.447 0.000 2.037 733 M HN 0.963 nan 8.290 nan 0.000 0.478 734 W N 4.219 125.371 121.300 -0.246 0.000 2.509 734 W HA 0.804 5.464 4.660 0.000 0.000 0.351 734 W C -1.933 174.321 176.519 -0.443 0.000 1.107 734 W CA -0.808 56.473 57.345 -0.107 0.000 1.264 734 W CB 0.439 29.871 29.460 -0.047 0.000 1.312 734 W HN 0.613 nan 8.180 nan 0.000 0.608 735 Y N 2.137 122.590 120.300 0.255 0.000 2.426 735 Y HA 0.278 4.828 4.550 0.000 0.000 0.325 735 Y C 0.721 176.734 175.900 0.189 0.000 0.989 735 Y CA -1.182 56.976 58.100 0.097 0.000 1.284 735 Y CB 1.299 39.786 38.460 0.046 0.000 1.104 735 Y HN 0.644 nan 8.280 nan 0.000 0.481 736 T N 0.265 114.991 114.554 0.287 0.000 2.902 736 T HA 0.095 4.445 4.350 -0.000 0.000 0.301 736 T C 0.473 175.236 174.700 0.104 0.000 1.012 736 T CA 0.302 62.494 62.100 0.153 0.000 1.151 736 T CB 0.292 69.165 68.868 0.008 0.000 0.946 736 T HN 0.766 nan 8.240 nan 0.000 0.542 737 D N 0.449 120.889 120.400 0.065 0.000 3.046 737 D HA -0.118 4.522 4.640 -0.000 0.000 0.210 737 D C -0.047 176.378 176.300 0.207 0.000 1.124 737 D CA 1.287 55.267 54.000 -0.033 0.000 0.986 737 D CB -0.694 39.885 40.800 -0.369 0.000 1.118 737 D HN 0.738 nan 8.370 nan 0.000 0.416 738 E N 0.964 121.305 120.200 0.236 0.000 2.313 738 E HA 0.319 4.669 4.350 -0.000 0.000 0.272 738 E C 0.764 177.547 176.600 0.306 0.000 1.038 738 E CA -0.263 56.298 56.400 0.268 0.000 0.863 738 E CB 1.203 31.053 29.700 0.250 0.000 1.060 738 E HN 0.347 nan 8.360 nan 0.000 0.402 739 D N -0.055 120.539 120.400 0.323 0.000 2.481 739 D HA -0.019 4.621 4.640 -0.000 0.000 0.283 739 D C 1.133 177.672 176.300 0.399 0.000 1.192 739 D CA -0.111 54.106 54.000 0.361 0.000 1.100 739 D CB -0.246 40.792 40.800 0.398 0.000 1.166 739 D HN 0.435 nan 8.370 nan 0.000 0.584 740 H N -1.492 117.779 119.070 0.336 0.000 2.456 740 H HA 0.081 4.637 4.556 -0.000 0.000 0.296 740 H C 1.931 177.532 175.328 0.454 0.000 1.079 740 H CA 2.225 58.501 56.048 0.379 0.000 1.322 740 H CB -0.422 29.546 29.762 0.344 0.000 1.388 740 H HN 0.478 nan 8.280 nan 0.000 0.538 741 G N -0.189 108.795 108.800 0.308 0.000 2.551 741 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.216 741 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.216 741 G C 0.702 175.778 174.900 0.293 0.000 1.137 741 G CA 0.335 45.539 45.100 0.174 0.000 0.798 741 G HN 0.530 nan 8.290 nan 0.000 0.536 742 I N 0.058 120.815 120.570 0.311 0.000 6.272 742 I HA -0.318 3.852 4.170 -0.000 0.000 0.126 742 I C 1.461 177.702 176.117 0.207 0.000 1.619 742 I CA 0.164 61.597 61.300 0.222 0.000 2.452 742 I CB -1.129 36.980 38.000 0.182 0.000 3.064 742 I HN 0.267 nan 8.210 nan 0.000 0.279 743 A N 1.007 123.927 122.820 0.167 0.000 2.430 743 A HA 0.337 4.657 4.320 -0.000 0.000 0.243 743 A C 1.135 178.768 177.584 0.083 0.000 1.254 743 A CA 0.498 52.601 52.037 0.110 0.000 0.914 743 A CB 0.126 19.155 19.000 0.048 0.000 0.998 743 A HN 0.608 nan 8.150 nan 0.000 0.515 744 S N -0.634 115.131 115.700 0.108 0.000 2.576 744 S HA 0.177 4.647 4.470 -0.000 0.000 0.272 744 S C 1.266 175.923 174.600 0.094 0.000 1.352 744 S CA 0.342 58.598 58.200 0.094 0.000 1.021 744 S CB 1.087 64.349 63.200 0.104 0.000 0.887 744 S HN 0.460 nan 8.310 nan 0.000 0.542 745 S N 1.431 117.173 115.700 0.070 0.000 2.365 745 S HA -0.185 4.285 4.470 -0.000 0.000 0.225 745 S C 2.097 176.760 174.600 0.105 0.000 1.039 745 S CA 2.271 60.514 58.200 0.073 0.000 1.033 745 S CB -1.573 61.653 63.200 0.043 0.000 0.887 745 S HN 1.031 nan 8.310 nan 0.000 0.447 746 T N -0.263 114.343 114.554 0.087 0.000 2.812 746 T HA 0.190 4.540 4.350 -0.000 0.000 0.264 746 T C 1.989 176.752 174.700 0.106 0.000 1.042 746 T CA 1.269 63.423 62.100 0.090 0.000 1.140 746 T CB -0.924 67.988 68.868 0.072 0.000 0.870 746 T HN 0.448 nan 8.240 nan 0.000 0.445 747 A N 1.515 124.382 122.820 0.079 0.000 1.898 747 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 747 A C 2.207 179.762 177.584 -0.049 0.000 1.181 747 A CA 2.051 54.076 52.037 -0.019 0.000 0.620 747 A CB -1.265 17.697 19.000 -0.063 0.000 0.819 747 A HN 0.763 nan 8.150 nan 0.000 0.442 748 H N -0.090 118.973 119.070 -0.012 0.000 2.319 748 H HA -0.148 4.408 4.556 -0.000 0.000 0.299 748 H C 2.097 177.499 175.328 0.123 0.000 1.092 748 H CA 2.379 58.471 56.048 0.074 0.000 1.302 748 H CB -0.241 29.566 29.762 0.074 0.000 1.373 748 H HN 0.577 nan 8.280 nan 0.000 0.497 749 Q N -1.062 118.738 119.800 0.000 0.000 2.119 749 Q HA -0.180 4.160 4.340 -0.000 0.000 0.201 749 Q C 2.194 178.186 176.000 -0.014 0.000 0.972 749 Q CA 1.270 57.036 55.803 -0.061 0.000 0.847 749 Q CB -0.163 28.581 28.738 0.009 0.000 0.903 749 Q HN 0.642 nan 8.270 nan 0.000 0.433 750 H N 0.792 119.840 119.070 -0.037 0.000 2.326 750 H HA -0.058 4.498 4.556 0.000 0.000 0.301 750 H C 2.033 177.366 175.328 0.007 0.000 1.081 750 H CA 1.258 57.319 56.048 0.021 0.000 1.334 750 H CB -0.001 29.828 29.762 0.113 0.000 1.385 750 H HN 0.276 nan 8.280 nan 0.000 0.504 751 I N 0.125 120.690 120.570 -0.008 0.000 2.179 751 I HA -0.326 3.844 4.170 -0.000 0.000 0.242 751 I C 1.829 177.733 176.117 -0.356 0.000 1.088 751 I CA 1.267 62.470 61.300 -0.162 0.000 1.357 751 I CB -0.295 37.404 38.000 -0.502 0.000 1.051 751 I HN 0.127 nan 8.210 nan 0.000 0.409 752 Y N 1.025 121.125 120.300 -0.335 0.000 2.293 752 Y HA -0.213 4.337 4.550 -0.000 0.000 0.291 752 Y C 2.724 178.432 175.900 -0.321 0.000 1.137 752 Y CA 1.915 59.700 58.100 -0.526 0.000 1.202 752 Y CB -0.878 37.266 38.460 -0.527 0.000 0.990 752 Y HN 0.172 nan 8.280 nan 0.000 0.537 753 T N -1.776 112.715 114.554 -0.105 0.000 2.777 753 T HA -0.214 4.136 4.350 -0.000 0.000 0.266 753 T C 1.557 176.170 174.700 -0.145 0.000 1.040 753 T CA 1.793 63.800 62.100 -0.156 0.000 1.141 753 T CB -0.415 68.356 68.868 -0.162 0.000 0.868 753 T HN 0.404 nan 8.240 nan 0.000 0.444 754 H N 0.778 119.750 119.070 -0.164 0.000 2.353 754 H HA 0.141 4.697 4.556 -0.000 0.000 0.300 754 H C 2.149 177.482 175.328 0.009 0.000 1.090 754 H CA 1.473 57.499 56.048 -0.037 0.000 1.327 754 H CB -0.223 29.508 29.762 -0.052 0.000 1.383 754 H HN 0.247 nan 8.280 nan 0.000 0.508 755 M N -0.935 118.624 119.600 -0.068 0.000 2.175 755 M HA -0.145 4.335 4.480 -0.000 0.000 0.264 755 M C 2.376 178.800 176.300 0.207 0.000 1.063 755 M CA 1.344 56.600 55.300 -0.073 0.000 1.119 755 M CB 0.090 32.402 32.600 -0.481 0.000 1.377 755 M HN 0.195 nan 8.290 nan 0.000 0.415 756 S N -0.639 115.206 115.700 0.243 0.000 2.368 756 S HA -0.153 4.317 4.470 -0.000 0.000 0.225 756 S C 1.695 176.394 174.600 0.165 0.000 1.030 756 S CA 0.999 59.422 58.200 0.372 0.000 0.999 756 S CB -0.534 62.864 63.200 0.331 0.000 0.844 756 S HN 0.465 nan 8.310 nan 0.000 0.459 757 H N -0.122 119.013 119.070 0.109 0.000 2.353 757 H HA -0.043 4.513 4.556 -0.000 0.000 0.300 757 H C 1.982 177.313 175.328 0.005 0.000 1.090 757 H CA 1.333 57.397 56.048 0.027 0.000 1.327 757 H CB -0.755 28.975 29.762 -0.052 0.000 1.383 757 H HN 0.440 nan 8.280 nan 0.000 0.508 758 F N 1.355 121.296 119.950 -0.014 0.000 2.069 758 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 758 F C 2.320 178.073 175.800 -0.077 0.000 1.113 758 F CA 0.997 58.953 58.000 -0.072 0.000 1.214 758 F CB -0.353 38.581 39.000 -0.110 0.000 0.978 758 F HN -0.043 nan 8.300 nan 0.000 0.474 759 I N 0.722 121.292 120.570 0.000 0.000 2.179 759 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 759 I C 2.256 178.172 176.117 -0.335 0.000 1.088 759 I CA 1.564 62.699 61.300 -0.276 0.000 1.357 759 I CB -1.370 36.559 38.000 -0.119 0.000 1.051 759 I HN 0.228 nan 8.210 nan 0.000 0.409 760 K N 0.257 120.609 120.400 -0.079 0.000 2.097 760 K HA -0.222 4.098 4.320 -0.000 0.000 0.206 760 K C 2.106 178.696 176.600 -0.017 0.000 1.049 760 K CA 1.137 57.433 56.287 0.014 0.000 0.933 760 K CB -0.241 32.315 32.500 0.093 0.000 0.717 760 K HN 0.352 nan 8.250 nan 0.000 0.442 761 Q N 1.254 121.000 119.800 -0.090 0.000 2.079 761 Q HA -0.196 4.144 4.340 -0.000 0.000 0.200 761 Q C 2.233 178.139 176.000 -0.157 0.000 0.974 761 Q CA 1.727 57.464 55.803 -0.110 0.000 0.840 761 Q CB -0.540 28.113 28.738 -0.142 0.000 0.898 761 Q HN 0.415 nan 8.270 nan 0.000 0.430 762 c N 0.181 118.583 118.600 -0.330 0.000 2.435 762 c HA -0.039 4.531 4.570 -0.000 0.000 0.279 762 c C 2.102 176.212 174.090 0.032 0.000 1.321 762 c CA 0.300 56.453 56.329 -0.293 0.000 1.752 762 c CB -1.278 40.884 42.510 -0.579 0.000 1.959 762 c HN 0.524 nan 8.230 nan 0.000 0.500 763 F N 1.304 121.213 119.950 -0.069 0.000 2.765 763 F HA 0.347 4.874 4.527 0.000 0.000 0.302 763 F C 1.283 177.068 175.800 -0.025 0.000 1.111 763 F CA -0.100 57.881 58.000 -0.030 0.000 1.359 763 F CB -0.721 38.269 39.000 -0.017 0.000 1.097 763 F HN 0.156 nan 8.300 nan 0.000 0.577 764 S N 0.000 115.785 115.700 0.142 0.000 2.498 764 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 764 S CA 0.000 58.247 58.200 0.078 0.000 1.107 764 S CB 0.000 63.238 63.200 0.064 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517